USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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 Single : A 6 TYR OH : rot 30:sc= -0.475 USER MOD Single : A 7 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.033) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.029 (180deg=-0.197) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 12:sc= 1.35 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 44:sc= -0.653 USER MOD Single : A 39 LYS NZ :NH3+ -147:sc=-0.000113 (180deg=-0.928) 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -115:sc= -0.122 (180deg=-1.36) USER MOD Single : A 56 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 -1.358 -0.795 -1.698 1.00 10.05 N ATOM 2 CA TYR A 6 -0.991 -0.816 -3.109 1.00 12.35 C ATOM 3 C TYR A 6 -1.021 -2.239 -3.658 1.00 50.53 C ATOM 4 O TYR A 6 -1.475 -3.165 -2.987 1.00 45.10 O ATOM 5 CB TYR A 6 0.400 -0.210 -3.304 1.00 72.44 C ATOM 6 CG TYR A 6 1.290 -0.333 -2.089 1.00 23.33 C ATOM 7 CD1 TYR A 6 1.216 0.589 -1.052 1.00 41.14 C ATOM 8 CD2 TYR A 6 2.206 -1.373 -1.976 1.00 55.21 C ATOM 9 CE1 TYR A 6 2.028 0.481 0.060 1.00 44.04 C ATOM 10 CE2 TYR A 6 3.021 -1.490 -0.867 1.00 12.41 C ATOM 11 CZ TYR A 6 2.929 -0.560 0.148 1.00 71.11 C ATOM 12 OH TYR A 6 3.739 -0.672 1.255 1.00 72.13 O ATOM 0 HA TYR A 6 -1.720 -0.219 -3.658 1.00 12.35 H new ATOM 0 HB2 TYR A 6 0.884 -0.698 -4.150 1.00 72.44 H new ATOM 0 HB3 TYR A 6 0.295 0.844 -3.562 1.00 72.44 H new ATOM 0 HD1 TYR A 6 0.511 1.405 -1.117 1.00 41.14 H new ATOM 0 HD2 TYR A 6 2.282 -2.102 -2.769 1.00 55.21 H new ATOM 0 HE1 TYR A 6 1.958 1.207 0.856 1.00 44.04 H new ATOM 0 HE2 TYR A 6 3.726 -2.305 -0.795 1.00 12.41 H new ATOM 0 HH TYR A 6 3.279 -0.299 2.036 1.00 72.13 H new ATOM 22 N GLN A 7 -0.534 -2.403 -4.884 1.00 4.41 N ATOM 23 CA GLN A 7 -0.504 -3.712 -5.525 1.00 30.03 C ATOM 24 C GLN A 7 -0.034 -4.785 -4.549 1.00 24.33 C ATOM 25 O GLN A 7 0.252 -4.499 -3.386 1.00 43.40 O ATOM 26 CB GLN A 7 0.412 -3.683 -6.750 1.00 34.23 C ATOM 27 CG GLN A 7 -0.302 -3.293 -8.034 1.00 13.11 C ATOM 28 CD GLN A 7 -0.757 -1.847 -8.032 1.00 52.23 C ATOM 29 OE1 GLN A 7 -1.953 -1.560 -7.972 1.00 72.33 O ATOM 30 NE2 GLN A 7 0.197 -0.926 -8.098 1.00 40.33 N ATOM 0 H GLN A 7 -0.155 -1.646 -5.453 1.00 4.41 H new ATOM 0 HA GLN A 7 -1.517 -3.956 -5.844 1.00 30.03 H new ATOM 0 HB2 GLN A 7 1.225 -2.980 -6.569 1.00 34.23 H new ATOM 0 HB3 GLN A 7 0.863 -4.667 -6.879 1.00 34.23 H new ATOM 0 HG2 GLN A 7 0.364 -3.459 -8.881 1.00 13.11 H new ATOM 0 HG3 GLN A 7 -1.166 -3.942 -8.176 1.00 13.11 H new ATOM 0 HE21 GLN A 7 1.176 -1.208 -8.146 1.00 40.33 H new ATOM 0 HE22 GLN A 7 -0.049 0.064 -8.100 1.00 40.33 H new ATOM 39 N ASP A 8 0.044 -6.021 -5.029 1.00 20.41 N ATOM 40 CA ASP A 8 0.481 -7.138 -4.199 1.00 34.22 C ATOM 41 C ASP A 8 1.510 -6.681 -3.170 1.00 44.25 C ATOM 42 O ASP A 8 1.515 -7.150 -2.033 1.00 22.02 O ATOM 43 CB ASP A 8 1.070 -8.249 -5.070 1.00 13.13 C ATOM 44 CG ASP A 8 0.019 -8.939 -5.917 1.00 50.35 C ATOM 45 OD1 ASP A 8 -0.367 -8.372 -6.961 1.00 53.04 O ATOM 46 OD2 ASP A 8 -0.416 -10.046 -5.538 1.00 14.55 O ATOM 0 H ASP A 8 -0.190 -6.275 -5.989 1.00 20.41 H new ATOM 0 HA ASP A 8 -0.389 -7.526 -3.668 1.00 34.22 H new ATOM 0 HB2 ASP A 8 1.838 -7.829 -5.720 1.00 13.13 H new ATOM 0 HB3 ASP A 8 1.560 -8.985 -4.433 1.00 13.13 H new ATOM 51 N GLN A 9 2.381 -5.764 -3.580 1.00 10.32 N ATOM 52 CA GLN A 9 3.416 -5.245 -2.694 1.00 45.10 C ATOM 53 C GLN A 9 2.864 -5.004 -1.293 1.00 52.52 C ATOM 54 O GLN A 9 3.461 -5.418 -0.301 1.00 4.13 O ATOM 55 CB GLN A 9 3.996 -3.946 -3.258 1.00 34.15 C ATOM 56 CG GLN A 9 5.238 -4.153 -4.109 1.00 1.24 C ATOM 57 CD GLN A 9 6.499 -4.287 -3.278 1.00 11.24 C ATOM 58 OE1 GLN A 9 6.906 -5.393 -2.920 1.00 40.42 O ATOM 59 NE2 GLN A 9 7.125 -3.158 -2.965 1.00 62.33 N ATOM 0 H GLN A 9 2.390 -5.366 -4.519 1.00 10.32 H new ATOM 0 HA GLN A 9 4.209 -5.990 -2.628 1.00 45.10 H new ATOM 0 HB2 GLN A 9 3.234 -3.448 -3.857 1.00 34.15 H new ATOM 0 HB3 GLN A 9 4.239 -3.278 -2.432 1.00 34.15 H new ATOM 0 HG2 GLN A 9 5.112 -5.048 -4.718 1.00 1.24 H new ATOM 0 HG3 GLN A 9 5.347 -3.314 -4.796 1.00 1.24 H new ATOM 0 HE21 GLN A 9 6.752 -2.263 -3.283 1.00 62.33 H new ATOM 0 HE22 GLN A 9 7.978 -3.186 -2.407 1.00 62.33 H new ATOM 68 N GLU A 10 1.720 -4.330 -1.222 1.00 33.34 N ATOM 69 CA GLU A 10 1.088 -4.033 0.059 1.00 71.15 C ATOM 70 C GLU A 10 0.367 -5.261 0.607 1.00 15.22 C ATOM 71 O GLU A 10 0.382 -5.515 1.811 1.00 22.32 O ATOM 72 CB GLU A 10 0.101 -2.873 -0.091 1.00 64.15 C ATOM 73 CG GLU A 10 -0.998 -2.869 0.958 1.00 63.23 C ATOM 74 CD GLU A 10 -2.213 -3.669 0.532 1.00 74.21 C ATOM 75 OE1 GLU A 10 -2.644 -3.522 -0.631 1.00 63.10 O ATOM 76 OE2 GLU A 10 -2.734 -4.443 1.362 1.00 13.05 O ATOM 0 H GLU A 10 1.213 -3.980 -2.035 1.00 33.34 H new ATOM 0 HA GLU A 10 1.869 -3.747 0.763 1.00 71.15 H new ATOM 0 HB2 GLU A 10 0.648 -1.932 -0.035 1.00 64.15 H new ATOM 0 HB3 GLU A 10 -0.353 -2.919 -1.081 1.00 64.15 H new ATOM 0 HG2 GLU A 10 -0.607 -3.277 1.890 1.00 63.23 H new ATOM 0 HG3 GLU A 10 -1.297 -1.841 1.161 1.00 63.23 H new ATOM 83 N GLN A 11 -0.265 -6.017 -0.285 1.00 42.11 N ATOM 84 CA GLN A 11 -0.993 -7.217 0.110 1.00 40.12 C ATOM 85 C GLN A 11 -0.069 -8.210 0.807 1.00 1.43 C ATOM 86 O GLN A 11 -0.494 -8.951 1.693 1.00 30.32 O ATOM 87 CB GLN A 11 -1.637 -7.874 -1.112 1.00 40.55 C ATOM 88 CG GLN A 11 -2.525 -6.933 -1.911 1.00 63.05 C ATOM 89 CD GLN A 11 -3.501 -7.671 -2.806 1.00 63.13 C ATOM 90 OE1 GLN A 11 -3.207 -8.760 -3.300 1.00 22.43 O ATOM 91 NE2 GLN A 11 -4.671 -7.081 -3.021 1.00 4.34 N ATOM 0 H GLN A 11 -0.288 -5.820 -1.286 1.00 42.11 H new ATOM 0 HA GLN A 11 -1.775 -6.923 0.810 1.00 40.12 H new ATOM 0 HB2 GLN A 11 -0.852 -8.260 -1.763 1.00 40.55 H new ATOM 0 HB3 GLN A 11 -2.229 -8.729 -0.785 1.00 40.55 H new ATOM 0 HG2 GLN A 11 -3.080 -6.293 -1.225 1.00 63.05 H new ATOM 0 HG3 GLN A 11 -1.900 -6.281 -2.521 1.00 63.05 H new ATOM 0 HE21 GLN A 11 -4.873 -6.178 -2.592 1.00 4.34 H new ATOM 0 HE22 GLN A 11 -5.367 -7.531 -3.615 1.00 4.34 H new ATOM 100 N ARG A 12 1.197 -8.218 0.402 1.00 74.14 N ATOM 101 CA ARG A 12 2.180 -9.121 0.987 1.00 65.03 C ATOM 102 C ARG A 12 2.594 -8.647 2.377 1.00 62.11 C ATOM 103 O ARG A 12 2.390 -9.348 3.369 1.00 55.24 O ATOM 104 CB ARG A 12 3.411 -9.223 0.084 1.00 61.02 C ATOM 105 CG ARG A 12 4.339 -10.371 0.446 1.00 74.42 C ATOM 106 CD ARG A 12 5.419 -10.567 -0.606 1.00 63.50 C ATOM 107 NE ARG A 12 4.919 -11.279 -1.779 1.00 53.21 N ATOM 108 CZ ARG A 12 5.559 -11.321 -2.942 1.00 4.20 C ATOM 109 NH1 ARG A 12 6.720 -10.696 -3.086 1.00 71.01 N ATOM 110 NH2 ARG A 12 5.040 -11.989 -3.964 1.00 34.34 N ATOM 0 H ARG A 12 1.566 -7.609 -0.329 1.00 74.14 H new ATOM 0 HA ARG A 12 1.722 -10.106 1.079 1.00 65.03 H new ATOM 0 HB2 ARG A 12 3.084 -9.343 -0.949 1.00 61.02 H new ATOM 0 HB3 ARG A 12 3.967 -8.287 0.136 1.00 61.02 H new ATOM 0 HG2 ARG A 12 4.803 -10.175 1.413 1.00 74.42 H new ATOM 0 HG3 ARG A 12 3.760 -11.289 0.551 1.00 74.42 H new ATOM 0 HD2 ARG A 12 5.809 -9.596 -0.911 1.00 63.50 H new ATOM 0 HD3 ARG A 12 6.251 -11.122 -0.172 1.00 63.50 H new ATOM 0 HE ARG A 12 4.029 -11.771 -1.701 1.00 53.21 H new ATOM 0 HH11 ARG A 12 7.123 -10.182 -2.303 1.00 71.01 H new ATOM 0 HH12 ARG A 12 7.210 -10.730 -3.980 1.00 71.01 H new ATOM 0 HH21 ARG A 12 4.148 -12.472 -3.857 1.00 34.34 H new ATOM 0 HH22 ARG A 12 5.533 -12.020 -4.856 1.00 34.34 H new ATOM 124 N ILE A 13 3.177 -7.455 2.441 1.00 41.23 N ATOM 125 CA ILE A 13 3.619 -6.888 3.709 1.00 52.23 C ATOM 126 C ILE A 13 2.497 -6.911 4.742 1.00 64.23 C ATOM 127 O ILE A 13 2.742 -7.091 5.936 1.00 54.24 O ATOM 128 CB ILE A 13 4.112 -5.439 3.536 1.00 24.22 C ATOM 129 CG1 ILE A 13 2.975 -4.546 3.038 1.00 53.40 C ATOM 130 CG2 ILE A 13 5.290 -5.392 2.574 1.00 3.04 C ATOM 131 CD1 ILE A 13 3.399 -3.118 2.774 1.00 0.22 C ATOM 0 H ILE A 13 3.354 -6.863 1.630 1.00 41.23 H new ATOM 0 HA ILE A 13 4.446 -7.505 4.060 1.00 52.23 H new ATOM 0 HB ILE A 13 4.444 -5.066 4.505 1.00 24.22 H new ATOM 0 HG12 ILE A 13 2.566 -4.970 2.121 1.00 53.40 H new ATOM 0 HG13 ILE A 13 2.173 -4.548 3.776 1.00 53.40 H new ATOM 0 HG21 ILE A 13 5.627 -4.362 2.462 1.00 3.04 H new ATOM 0 HG22 ILE A 13 6.105 -6.000 2.967 1.00 3.04 H new ATOM 0 HG23 ILE A 13 4.983 -5.781 1.603 1.00 3.04 H new ATOM 0 HD11 ILE A 13 2.542 -2.543 2.424 1.00 0.22 H new ATOM 0 HD12 ILE A 13 3.781 -2.676 3.694 1.00 0.22 H new ATOM 0 HD13 ILE A 13 4.180 -3.105 2.014 1.00 0.22 H new ATOM 143 N LEU A 14 1.267 -6.730 4.275 1.00 71.50 N ATOM 144 CA LEU A 14 0.106 -6.733 5.158 1.00 54.30 C ATOM 145 C LEU A 14 -0.158 -8.131 5.707 1.00 10.04 C ATOM 146 O LEU A 14 -0.466 -8.299 6.888 1.00 43.53 O ATOM 147 CB LEU A 14 -1.129 -6.225 4.411 1.00 42.22 C ATOM 148 CG LEU A 14 -2.471 -6.799 4.865 1.00 54.32 C ATOM 149 CD1 LEU A 14 -2.713 -6.493 6.335 1.00 51.12 C ATOM 150 CD2 LEU A 14 -3.603 -6.247 4.010 1.00 35.23 C ATOM 0 H LEU A 14 1.048 -6.579 3.290 1.00 71.50 H new ATOM 0 HA LEU A 14 0.316 -6.068 5.995 1.00 54.30 H new ATOM 0 HB2 LEU A 14 -1.168 -5.140 4.510 1.00 42.22 H new ATOM 0 HB3 LEU A 14 -1.003 -6.444 3.351 1.00 42.22 H new ATOM 0 HG LEU A 14 -2.442 -7.882 4.741 1.00 54.32 H new ATOM 0 HD11 LEU A 14 -3.673 -6.909 6.640 1.00 51.12 H new ATOM 0 HD12 LEU A 14 -1.918 -6.936 6.935 1.00 51.12 H new ATOM 0 HD13 LEU A 14 -2.722 -5.413 6.485 1.00 51.12 H new ATOM 0 HD21 LEU A 14 -4.551 -6.666 4.347 1.00 35.23 H new ATOM 0 HD22 LEU A 14 -3.633 -5.161 4.103 1.00 35.23 H new ATOM 0 HD23 LEU A 14 -3.437 -6.518 2.967 1.00 35.23 H new ATOM 162 N LYS A 15 -0.033 -9.133 4.844 1.00 34.42 N ATOM 163 CA LYS A 15 -0.254 -10.519 5.242 1.00 14.53 C ATOM 164 C LYS A 15 0.900 -11.029 6.098 1.00 22.43 C ATOM 165 O LYS A 15 0.764 -12.023 6.813 1.00 42.05 O ATOM 166 CB LYS A 15 -0.419 -11.406 4.006 1.00 5.04 C ATOM 167 CG LYS A 15 -1.836 -11.432 3.460 1.00 24.33 C ATOM 168 CD LYS A 15 -1.883 -12.020 2.060 1.00 43.12 C ATOM 169 CE LYS A 15 -3.249 -11.826 1.420 1.00 61.41 C ATOM 170 NZ LYS A 15 -3.342 -12.502 0.096 1.00 41.21 N ATOM 0 H LYS A 15 0.220 -9.012 3.863 1.00 34.42 H new ATOM 0 HA LYS A 15 -1.168 -10.560 5.835 1.00 14.53 H new ATOM 0 HB2 LYS A 15 0.256 -11.055 3.225 1.00 5.04 H new ATOM 0 HB3 LYS A 15 -0.116 -12.423 4.256 1.00 5.04 H new ATOM 0 HG2 LYS A 15 -2.472 -12.018 4.123 1.00 24.33 H new ATOM 0 HG3 LYS A 15 -2.240 -10.420 3.444 1.00 24.33 H new ATOM 0 HD2 LYS A 15 -1.120 -11.549 1.441 1.00 43.12 H new ATOM 0 HD3 LYS A 15 -1.648 -13.083 2.103 1.00 43.12 H new ATOM 0 HE2 LYS A 15 -4.020 -12.219 2.083 1.00 61.41 H new ATOM 0 HE3 LYS A 15 -3.445 -10.761 1.299 1.00 61.41 H new ATOM 0 HZ1 LYS A 15 -4.288 -12.346 -0.308 1.00 41.21 H new ATOM 0 HZ2 LYS A 15 -2.623 -12.110 -0.545 1.00 41.21 H new ATOM 0 HZ3 LYS A 15 -3.180 -13.522 0.215 1.00 41.21 H new ATOM 184 N PHE A 16 2.036 -10.343 6.023 1.00 73.24 N ATOM 185 CA PHE A 16 3.214 -10.728 6.791 1.00 11.41 C ATOM 186 C PHE A 16 3.039 -10.379 8.266 1.00 14.22 C ATOM 187 O PHE A 16 3.209 -11.229 9.142 1.00 43.55 O ATOM 188 CB PHE A 16 4.460 -10.034 6.236 1.00 74.01 C ATOM 189 CG PHE A 16 5.594 -9.963 7.218 1.00 60.21 C ATOM 190 CD1 PHE A 16 6.481 -11.019 7.349 1.00 63.11 C ATOM 191 CD2 PHE A 16 5.773 -8.841 8.010 1.00 14.43 C ATOM 192 CE1 PHE A 16 7.527 -10.957 8.251 1.00 35.03 C ATOM 193 CE2 PHE A 16 6.816 -8.773 8.914 1.00 41.41 C ATOM 194 CZ PHE A 16 7.693 -9.833 9.036 1.00 44.55 C ATOM 0 H PHE A 16 2.165 -9.518 5.438 1.00 73.24 H new ATOM 0 HA PHE A 16 3.338 -11.807 6.703 1.00 11.41 H new ATOM 0 HB2 PHE A 16 4.795 -10.564 5.344 1.00 74.01 H new ATOM 0 HB3 PHE A 16 4.195 -9.023 5.925 1.00 74.01 H new ATOM 0 HD1 PHE A 16 6.354 -11.901 6.739 1.00 63.11 H new ATOM 0 HD2 PHE A 16 5.090 -8.010 7.920 1.00 14.43 H new ATOM 0 HE1 PHE A 16 8.213 -11.786 8.342 1.00 35.03 H new ATOM 0 HE2 PHE A 16 6.945 -7.892 9.525 1.00 41.41 H new ATOM 0 HZ PHE A 16 8.507 -9.783 9.744 1.00 44.55 H new ATOM 204 N LEU A 17 2.697 -9.123 8.534 1.00 24.34 N ATOM 205 CA LEU A 17 2.499 -8.660 9.903 1.00 21.25 C ATOM 206 C LEU A 17 1.332 -9.389 10.561 1.00 21.54 C ATOM 207 O LEU A 17 1.384 -9.722 11.745 1.00 10.41 O ATOM 208 CB LEU A 17 2.248 -7.151 9.921 1.00 75.40 C ATOM 209 CG LEU A 17 0.903 -6.689 9.359 1.00 12.41 C ATOM 210 CD1 LEU A 17 -0.037 -6.289 10.486 1.00 52.43 C ATOM 211 CD2 LEU A 17 1.099 -5.532 8.390 1.00 4.10 C ATOM 0 H LEU A 17 2.551 -8.408 7.822 1.00 24.34 H new ATOM 0 HA LEU A 17 3.405 -8.878 10.469 1.00 21.25 H new ATOM 0 HB2 LEU A 17 2.329 -6.801 10.950 1.00 75.40 H new ATOM 0 HB3 LEU A 17 3.042 -6.664 9.356 1.00 75.40 H new ATOM 0 HG LEU A 17 0.453 -7.520 8.815 1.00 12.41 H new ATOM 0 HD11 LEU A 17 -0.989 -5.963 10.067 1.00 52.43 H new ATOM 0 HD12 LEU A 17 -0.203 -7.143 11.142 1.00 52.43 H new ATOM 0 HD13 LEU A 17 0.406 -5.473 11.057 1.00 52.43 H new ATOM 0 HD21 LEU A 17 0.131 -5.216 8.000 1.00 4.10 H new ATOM 0 HD22 LEU A 17 1.570 -4.698 8.910 1.00 4.10 H new ATOM 0 HD23 LEU A 17 1.736 -5.852 7.565 1.00 4.10 H new ATOM 223 N GLU A 18 0.282 -9.637 9.785 1.00 51.23 N ATOM 224 CA GLU A 18 -0.897 -10.328 10.293 1.00 70.42 C ATOM 225 C GLU A 18 -0.650 -11.831 10.383 1.00 65.54 C ATOM 226 O GLU A 18 -1.367 -12.548 11.080 1.00 3.21 O ATOM 227 CB GLU A 18 -2.104 -10.052 9.394 1.00 34.04 C ATOM 228 CG GLU A 18 -2.217 -11.005 8.217 1.00 75.15 C ATOM 229 CD GLU A 18 -3.241 -10.550 7.194 1.00 21.32 C ATOM 230 OE1 GLU A 18 -3.819 -9.459 7.379 1.00 4.42 O ATOM 231 OE2 GLU A 18 -3.464 -11.285 6.210 1.00 72.41 O ATOM 0 H GLU A 18 0.224 -9.370 8.802 1.00 51.23 H new ATOM 0 HA GLU A 18 -1.104 -9.950 11.294 1.00 70.42 H new ATOM 0 HB2 GLU A 18 -3.013 -10.116 9.991 1.00 34.04 H new ATOM 0 HB3 GLU A 18 -2.041 -9.031 9.019 1.00 34.04 H new ATOM 0 HG2 GLU A 18 -1.244 -11.098 7.735 1.00 75.15 H new ATOM 0 HG3 GLU A 18 -2.488 -11.996 8.581 1.00 75.15 H new ATOM 238 N GLU A 19 0.370 -12.301 9.671 1.00 45.01 N ATOM 239 CA GLU A 19 0.712 -13.719 9.669 1.00 15.33 C ATOM 240 C GLU A 19 1.150 -14.174 11.058 1.00 21.31 C ATOM 241 O GLU A 19 1.093 -15.362 11.381 1.00 13.55 O ATOM 242 CB GLU A 19 1.822 -13.998 8.655 1.00 42.34 C ATOM 243 CG GLU A 19 1.382 -14.879 7.498 1.00 43.25 C ATOM 244 CD GLU A 19 2.343 -14.825 6.325 1.00 14.12 C ATOM 245 OE1 GLU A 19 2.377 -13.785 5.635 1.00 40.33 O ATOM 246 OE2 GLU A 19 3.059 -15.822 6.098 1.00 1.01 O ATOM 0 H GLU A 19 0.974 -11.721 9.088 1.00 45.01 H new ATOM 0 HA GLU A 19 -0.178 -14.281 9.385 1.00 15.33 H new ATOM 0 HB2 GLU A 19 2.188 -13.050 8.260 1.00 42.34 H new ATOM 0 HB3 GLU A 19 2.658 -14.475 9.166 1.00 42.34 H new ATOM 0 HG2 GLU A 19 1.294 -15.909 7.844 1.00 43.25 H new ATOM 0 HG3 GLU A 19 0.391 -14.568 7.166 1.00 43.25 H new ATOM 253 N LEU A 20 1.589 -13.223 11.875 1.00 32.10 N ATOM 254 CA LEU A 20 2.038 -13.525 13.230 1.00 63.34 C ATOM 255 C LEU A 20 1.160 -12.827 14.263 1.00 20.41 C ATOM 256 O LEU A 20 0.946 -13.342 15.360 1.00 4.31 O ATOM 257 CB LEU A 20 3.496 -13.099 13.411 1.00 21.23 C ATOM 258 CG LEU A 20 3.808 -11.631 13.118 1.00 32.13 C ATOM 259 CD1 LEU A 20 4.709 -11.051 14.197 1.00 21.23 C ATOM 260 CD2 LEU A 20 4.453 -11.486 11.748 1.00 75.14 C ATOM 0 H LEU A 20 1.644 -12.236 11.623 1.00 32.10 H new ATOM 0 HA LEU A 20 1.959 -14.601 13.382 1.00 63.34 H new ATOM 0 HB2 LEU A 20 3.792 -13.315 14.438 1.00 21.23 H new ATOM 0 HB3 LEU A 20 4.117 -13.718 12.764 1.00 21.23 H new ATOM 0 HG LEU A 20 2.871 -11.074 13.117 1.00 32.13 H new ATOM 0 HD11 LEU A 20 4.920 -10.006 13.972 1.00 21.23 H new ATOM 0 HD12 LEU A 20 4.210 -11.120 15.164 1.00 21.23 H new ATOM 0 HD13 LEU A 20 5.644 -11.611 14.230 1.00 21.23 H new ATOM 0 HD21 LEU A 20 4.668 -10.435 11.557 1.00 75.14 H new ATOM 0 HD22 LEU A 20 5.381 -12.057 11.720 1.00 75.14 H new ATOM 0 HD23 LEU A 20 3.773 -11.862 10.984 1.00 75.14 H new ATOM 272 N GLY A 21 0.651 -11.653 13.904 1.00 42.33 N ATOM 273 CA GLY A 21 -0.200 -10.904 14.810 1.00 21.31 C ATOM 274 C GLY A 21 -0.317 -9.444 14.423 1.00 41.45 C ATOM 275 O GLY A 21 0.670 -8.709 14.443 1.00 61.14 O ATOM 0 H GLY A 21 0.813 -11.207 13.001 1.00 42.33 H new ATOM 0 HA2 GLY A 21 -1.193 -11.353 14.825 1.00 21.31 H new ATOM 0 HA3 GLY A 21 0.199 -10.977 15.822 1.00 21.31 H new ATOM 279 N GLU A 22 -1.527 -9.022 14.067 1.00 24.12 N ATOM 280 CA GLU A 22 -1.767 -7.640 13.671 1.00 52.43 C ATOM 281 C GLU A 22 -1.556 -6.691 14.848 1.00 63.54 C ATOM 282 O GLU A 22 -2.316 -6.705 15.814 1.00 35.23 O ATOM 283 CB GLU A 22 -3.188 -7.482 13.124 1.00 64.42 C ATOM 284 CG GLU A 22 -3.454 -6.121 12.503 1.00 23.24 C ATOM 285 CD GLU A 22 -4.798 -6.051 11.806 1.00 51.24 C ATOM 286 OE1 GLU A 22 -5.828 -5.983 12.509 1.00 1.50 O ATOM 287 OE2 GLU A 22 -4.821 -6.064 10.557 1.00 22.33 O ATOM 0 H GLU A 22 -2.355 -9.617 14.045 1.00 24.12 H new ATOM 0 HA GLU A 22 -1.053 -7.385 12.888 1.00 52.43 H new ATOM 0 HB2 GLU A 22 -3.368 -8.254 12.376 1.00 64.42 H new ATOM 0 HB3 GLU A 22 -3.900 -7.648 13.932 1.00 64.42 H new ATOM 0 HG2 GLU A 22 -3.411 -5.357 13.279 1.00 23.24 H new ATOM 0 HG3 GLU A 22 -2.665 -5.892 11.787 1.00 23.24 H new ATOM 294 N GLY A 23 -0.515 -5.869 14.758 1.00 52.44 N ATOM 295 CA GLY A 23 -0.221 -4.926 15.821 1.00 40.32 C ATOM 296 C GLY A 23 0.734 -5.494 16.852 1.00 42.24 C ATOM 297 O GLY A 23 0.767 -5.040 17.996 1.00 60.12 O ATOM 0 H GLY A 23 0.130 -5.839 13.968 1.00 52.44 H new ATOM 0 HA2 GLY A 23 0.209 -4.021 15.391 1.00 40.32 H new ATOM 0 HA3 GLY A 23 -1.150 -4.635 16.312 1.00 40.32 H new ATOM 301 N LYS A 24 1.514 -6.491 16.447 1.00 34.15 N ATOM 302 CA LYS A 24 2.474 -7.123 17.344 1.00 63.54 C ATOM 303 C LYS A 24 3.905 -6.807 16.918 1.00 33.44 C ATOM 304 O LYS A 24 4.131 -5.994 16.023 1.00 75.54 O ATOM 305 CB LYS A 24 2.261 -8.639 17.366 1.00 12.35 C ATOM 306 CG LYS A 24 0.827 -9.047 17.660 1.00 44.42 C ATOM 307 CD LYS A 24 0.336 -8.455 18.970 1.00 1.51 C ATOM 308 CE LYS A 24 1.177 -8.929 20.146 1.00 54.42 C ATOM 309 NZ LYS A 24 1.111 -10.407 20.314 1.00 11.33 N ATOM 0 H LYS A 24 1.500 -6.878 15.504 1.00 34.15 H new ATOM 0 HA LYS A 24 2.314 -6.725 18.346 1.00 63.54 H new ATOM 0 HB2 LYS A 24 2.558 -9.053 16.402 1.00 12.35 H new ATOM 0 HB3 LYS A 24 2.917 -9.079 18.118 1.00 12.35 H new ATOM 0 HG2 LYS A 24 0.180 -8.719 16.846 1.00 44.42 H new ATOM 0 HG3 LYS A 24 0.759 -10.134 17.703 1.00 44.42 H new ATOM 0 HD2 LYS A 24 0.368 -7.367 18.913 1.00 1.51 H new ATOM 0 HD3 LYS A 24 -0.705 -8.735 19.130 1.00 1.51 H new ATOM 0 HE2 LYS A 24 2.213 -8.626 19.997 1.00 54.42 H new ATOM 0 HE3 LYS A 24 0.831 -8.444 21.059 1.00 54.42 H new ATOM 0 HZ1 LYS A 24 1.523 -10.671 21.232 1.00 11.33 H new ATOM 0 HZ2 LYS A 24 0.119 -10.717 20.278 1.00 11.33 H new ATOM 0 HZ3 LYS A 24 1.645 -10.867 19.550 1.00 11.33 H new ATOM 323 N ALA A 25 4.867 -7.456 17.566 1.00 32.30 N ATOM 324 CA ALA A 25 6.275 -7.247 17.252 1.00 13.31 C ATOM 325 C ALA A 25 6.859 -8.450 16.519 1.00 12.42 C ATOM 326 O ALA A 25 6.173 -9.448 16.297 1.00 51.03 O ATOM 327 CB ALA A 25 7.063 -6.967 18.523 1.00 11.12 C ATOM 0 H ALA A 25 4.697 -8.131 18.312 1.00 32.30 H new ATOM 0 HA ALA A 25 6.350 -6.382 16.593 1.00 13.31 H new ATOM 0 HB1 ALA A 25 8.113 -6.813 18.274 1.00 11.12 H new ATOM 0 HB2 ALA A 25 6.669 -6.072 19.005 1.00 11.12 H new ATOM 0 HB3 ALA A 25 6.972 -7.815 19.202 1.00 11.12 H new ATOM 333 N THR A 26 8.130 -8.349 16.145 1.00 44.53 N ATOM 334 CA THR A 26 8.806 -9.427 15.435 1.00 23.20 C ATOM 335 C THR A 26 10.321 -9.290 15.540 1.00 32.42 C ATOM 336 O THR A 26 10.837 -8.225 15.881 1.00 72.31 O ATOM 337 CB THR A 26 8.407 -9.458 13.948 1.00 40.24 C ATOM 338 OG1 THR A 26 8.995 -10.595 13.306 1.00 41.22 O ATOM 339 CG2 THR A 26 8.850 -8.185 13.242 1.00 25.10 C ATOM 0 H THR A 26 8.713 -7.531 16.322 1.00 44.53 H new ATOM 0 HA THR A 26 8.495 -10.359 15.906 1.00 23.20 H new ATOM 0 HB THR A 26 7.321 -9.529 13.888 1.00 40.24 H new ATOM 0 HG1 THR A 26 8.735 -10.608 12.361 1.00 41.22 H new ATOM 0 HG21 THR A 26 8.557 -8.230 12.193 1.00 25.10 H new ATOM 0 HG22 THR A 26 8.377 -7.324 13.714 1.00 25.10 H new ATOM 0 HG23 THR A 26 9.933 -8.088 13.312 1.00 25.10 H new ATOM 347 N THR A 27 11.030 -10.375 15.245 1.00 65.20 N ATOM 348 CA THR A 27 12.487 -10.376 15.307 1.00 74.22 C ATOM 349 C THR A 27 13.096 -10.390 13.910 1.00 62.23 C ATOM 350 O THR A 27 12.437 -10.760 12.938 1.00 2.34 O ATOM 351 CB THR A 27 13.014 -11.588 16.097 1.00 24.41 C ATOM 352 OG1 THR A 27 12.151 -12.714 15.903 1.00 53.24 O ATOM 353 CG2 THR A 27 13.111 -11.267 17.581 1.00 54.12 C ATOM 0 H THR A 27 10.619 -11.264 14.961 1.00 65.20 H new ATOM 0 HA THR A 27 12.783 -9.461 15.820 1.00 74.22 H new ATOM 0 HB THR A 27 14.011 -11.828 15.727 1.00 24.41 H new ATOM 0 HG1 THR A 27 12.495 -13.480 16.408 1.00 53.24 H new ATOM 0 HG21 THR A 27 13.486 -12.138 18.118 1.00 54.12 H new ATOM 0 HG22 THR A 27 13.793 -10.429 17.728 1.00 54.12 H new ATOM 0 HG23 THR A 27 12.124 -11.003 17.961 1.00 54.12 H new ATOM 361 N ALA A 28 14.359 -9.986 13.816 1.00 53.10 N ATOM 362 CA ALA A 28 15.058 -9.955 12.537 1.00 0.14 C ATOM 363 C ALA A 28 15.001 -11.314 11.848 1.00 42.45 C ATOM 364 O ALA A 28 14.820 -11.397 10.632 1.00 21.03 O ATOM 365 CB ALA A 28 16.503 -9.522 12.737 1.00 50.25 C ATOM 0 H ALA A 28 14.919 -9.676 14.610 1.00 53.10 H new ATOM 0 HA ALA A 28 14.558 -9.230 11.894 1.00 0.14 H new ATOM 0 HB1 ALA A 28 17.014 -9.503 11.774 1.00 50.25 H new ATOM 0 HB2 ALA A 28 16.526 -8.526 13.180 1.00 50.25 H new ATOM 0 HB3 ALA A 28 17.005 -10.226 13.400 1.00 50.25 H new ATOM 371 N HIS A 29 15.158 -12.377 12.630 1.00 12.42 N ATOM 372 CA HIS A 29 15.124 -13.733 12.094 1.00 44.53 C ATOM 373 C HIS A 29 13.702 -14.131 11.713 1.00 72.22 C ATOM 374 O HIS A 29 13.496 -14.990 10.855 1.00 0.00 O ATOM 375 CB HIS A 29 15.688 -14.722 13.115 1.00 53.44 C ATOM 376 CG HIS A 29 17.128 -14.482 13.449 1.00 71.43 C ATOM 377 ND1 HIS A 29 18.154 -14.696 12.553 1.00 51.35 N ATOM 378 CD2 HIS A 29 17.711 -14.044 14.589 1.00 42.33 C ATOM 379 CE1 HIS A 29 19.306 -14.400 13.127 1.00 21.33 C ATOM 380 NE2 HIS A 29 19.065 -14.002 14.363 1.00 1.42 N ATOM 0 H HIS A 29 15.310 -12.326 13.637 1.00 12.42 H new ATOM 0 HA HIS A 29 15.742 -13.758 11.196 1.00 44.53 H new ATOM 0 HB2 HIS A 29 15.097 -14.664 14.029 1.00 53.44 H new ATOM 0 HB3 HIS A 29 15.577 -15.735 12.727 1.00 53.44 H new ATOM 0 HD2 HIS A 29 17.206 -13.777 15.506 1.00 42.33 H new ATOM 0 HE1 HIS A 29 20.279 -14.471 12.664 1.00 21.33 H new ATOM 0 HE2 HIS A 29 19.770 -13.711 15.040 1.00 1.42 H new ATOM 388 N ASP A 30 12.724 -13.503 12.356 1.00 2.24 N ATOM 389 CA ASP A 30 11.321 -13.792 12.085 1.00 12.30 C ATOM 390 C ASP A 30 10.836 -13.027 10.857 1.00 2.13 C ATOM 391 O ASP A 30 10.043 -13.540 10.066 1.00 10.54 O ATOM 392 CB ASP A 30 10.460 -13.433 13.297 1.00 4.45 C ATOM 393 CG ASP A 30 10.096 -14.647 14.129 1.00 51.12 C ATOM 394 OD1 ASP A 30 9.743 -15.687 13.535 1.00 30.35 O ATOM 395 OD2 ASP A 30 10.163 -14.556 15.373 1.00 74.52 O ATOM 0 H ASP A 30 12.877 -12.790 13.069 1.00 2.24 H new ATOM 0 HA ASP A 30 11.228 -14.860 11.887 1.00 12.30 H new ATOM 0 HB2 ASP A 30 10.996 -12.717 13.920 1.00 4.45 H new ATOM 0 HB3 ASP A 30 9.548 -12.942 12.958 1.00 4.45 H new ATOM 400 N LEU A 31 11.317 -11.798 10.704 1.00 31.04 N ATOM 401 CA LEU A 31 10.932 -10.961 9.573 1.00 20.21 C ATOM 402 C LEU A 31 11.777 -11.284 8.345 1.00 73.13 C ATOM 403 O LEU A 31 11.248 -11.493 7.253 1.00 51.11 O ATOM 404 CB LEU A 31 11.081 -9.482 9.934 1.00 75.12 C ATOM 405 CG LEU A 31 12.441 -9.060 10.489 1.00 44.14 C ATOM 406 CD1 LEU A 31 13.289 -8.425 9.397 1.00 22.12 C ATOM 407 CD2 LEU A 31 12.267 -8.100 11.657 1.00 73.32 C ATOM 0 H LEU A 31 11.974 -11.359 11.349 1.00 31.04 H new ATOM 0 HA LEU A 31 9.888 -11.168 9.338 1.00 20.21 H new ATOM 0 HB2 LEU A 31 10.875 -8.889 9.043 1.00 75.12 H new ATOM 0 HB3 LEU A 31 10.317 -9.229 10.669 1.00 75.12 H new ATOM 0 HG LEU A 31 12.956 -9.950 10.850 1.00 44.14 H new ATOM 0 HD11 LEU A 31 14.254 -8.131 9.810 1.00 22.12 H new ATOM 0 HD12 LEU A 31 13.443 -9.143 8.592 1.00 22.12 H new ATOM 0 HD13 LEU A 31 12.779 -7.545 9.005 1.00 22.12 H new ATOM 0 HD21 LEU A 31 13.246 -7.811 12.039 1.00 73.32 H new ATOM 0 HD22 LEU A 31 11.731 -7.212 11.321 1.00 73.32 H new ATOM 0 HD23 LEU A 31 11.699 -8.589 12.448 1.00 73.32 H new ATOM 419 N SER A 32 13.092 -11.325 8.532 1.00 60.44 N ATOM 420 CA SER A 32 14.010 -11.622 7.438 1.00 5.43 C ATOM 421 C SER A 32 13.955 -13.101 7.068 1.00 50.52 C ATOM 422 O SER A 32 14.341 -13.491 5.967 1.00 25.21 O ATOM 423 CB SER A 32 15.439 -11.234 7.825 1.00 21.32 C ATOM 424 OG SER A 32 16.315 -11.345 6.717 1.00 24.31 O ATOM 0 H SER A 32 13.546 -11.157 9.430 1.00 60.44 H new ATOM 0 HA SER A 32 13.704 -11.037 6.570 1.00 5.43 H new ATOM 0 HB2 SER A 32 15.452 -10.211 8.202 1.00 21.32 H new ATOM 0 HB3 SER A 32 15.787 -11.876 8.634 1.00 21.32 H new ATOM 0 HG SER A 32 15.792 -11.463 5.897 1.00 24.31 H new ATOM 430 N GLY A 33 13.471 -13.919 7.997 1.00 74.32 N ATOM 431 CA GLY A 33 13.373 -15.346 7.750 1.00 20.12 C ATOM 432 C GLY A 33 12.072 -15.730 7.074 1.00 40.25 C ATOM 433 O GLY A 33 12.055 -16.570 6.173 1.00 4.34 O ATOM 0 H GLY A 33 13.145 -13.620 8.916 1.00 74.32 H new ATOM 0 HA2 GLY A 33 14.210 -15.662 7.127 1.00 20.12 H new ATOM 0 HA3 GLY A 33 13.460 -15.882 8.695 1.00 20.12 H new ATOM 437 N LYS A 34 10.977 -15.115 7.508 1.00 42.21 N ATOM 438 CA LYS A 34 9.664 -15.396 6.939 1.00 24.01 C ATOM 439 C LYS A 34 9.521 -14.759 5.561 1.00 51.13 C ATOM 440 O LYS A 34 9.212 -15.438 4.581 1.00 70.23 O ATOM 441 CB LYS A 34 8.563 -14.881 7.868 1.00 74.11 C ATOM 442 CG LYS A 34 8.383 -15.719 9.122 1.00 72.53 C ATOM 443 CD LYS A 34 7.652 -17.018 8.824 1.00 22.10 C ATOM 444 CE LYS A 34 6.149 -16.804 8.736 1.00 32.42 C ATOM 445 NZ LYS A 34 5.397 -18.081 8.885 1.00 24.41 N ATOM 0 H LYS A 34 10.973 -14.418 8.253 1.00 42.21 H new ATOM 0 HA LYS A 34 9.565 -16.476 6.832 1.00 24.01 H new ATOM 0 HB2 LYS A 34 8.793 -13.855 8.157 1.00 74.11 H new ATOM 0 HB3 LYS A 34 7.621 -14.854 7.321 1.00 74.11 H new ATOM 0 HG2 LYS A 34 9.358 -15.940 9.556 1.00 72.53 H new ATOM 0 HG3 LYS A 34 7.825 -15.149 9.865 1.00 72.53 H new ATOM 0 HD2 LYS A 34 8.017 -17.435 7.885 1.00 22.10 H new ATOM 0 HD3 LYS A 34 7.872 -17.747 9.604 1.00 22.10 H new ATOM 0 HE2 LYS A 34 5.836 -16.105 9.512 1.00 32.42 H new ATOM 0 HE3 LYS A 34 5.903 -16.347 7.777 1.00 32.42 H new ATOM 0 HZ1 LYS A 34 4.376 -17.893 8.819 1.00 24.41 H new ATOM 0 HZ2 LYS A 34 5.677 -18.739 8.130 1.00 24.41 H new ATOM 0 HZ3 LYS A 34 5.612 -18.504 9.810 1.00 24.41 H new ATOM 459 N LEU A 35 9.748 -13.452 5.492 1.00 40.14 N ATOM 460 CA LEU A 35 9.646 -12.723 4.232 1.00 35.10 C ATOM 461 C LEU A 35 10.642 -13.260 3.209 1.00 32.15 C ATOM 462 O LEU A 35 10.467 -13.082 2.005 1.00 63.12 O ATOM 463 CB LEU A 35 9.888 -11.231 4.463 1.00 44.55 C ATOM 464 CG LEU A 35 8.937 -10.276 3.740 1.00 71.20 C ATOM 465 CD1 LEU A 35 7.499 -10.536 4.161 1.00 72.12 C ATOM 466 CD2 LEU A 35 9.322 -8.830 4.015 1.00 51.23 C ATOM 0 H LEU A 35 10.004 -12.875 6.293 1.00 40.14 H new ATOM 0 HA LEU A 35 8.639 -12.865 3.839 1.00 35.10 H new ATOM 0 HB2 LEU A 35 9.824 -11.035 5.533 1.00 44.55 H new ATOM 0 HB3 LEU A 35 10.908 -10.997 4.157 1.00 44.55 H new ATOM 0 HG LEU A 35 9.019 -10.455 2.668 1.00 71.20 H new ATOM 0 HD11 LEU A 35 6.836 -9.847 3.637 1.00 72.12 H new ATOM 0 HD12 LEU A 35 7.227 -11.562 3.912 1.00 72.12 H new ATOM 0 HD13 LEU A 35 7.402 -10.385 5.236 1.00 72.12 H new ATOM 0 HD21 LEU A 35 8.635 -8.165 3.493 1.00 51.23 H new ATOM 0 HD22 LEU A 35 9.270 -8.637 5.087 1.00 51.23 H new ATOM 0 HD23 LEU A 35 10.338 -8.651 3.663 1.00 51.23 H new ATOM 478 N GLY A 36 11.687 -13.921 3.699 1.00 12.31 N ATOM 479 CA GLY A 36 12.694 -14.476 2.814 1.00 5.44 C ATOM 480 C GLY A 36 13.547 -13.405 2.163 1.00 5.04 C ATOM 481 O GLY A 36 14.156 -13.635 1.118 1.00 71.04 O ATOM 0 H GLY A 36 11.854 -14.082 4.692 1.00 12.31 H new ATOM 0 HA2 GLY A 36 13.335 -15.154 3.378 1.00 5.44 H new ATOM 0 HA3 GLY A 36 12.206 -15.068 2.040 1.00 5.44 H new ATOM 485 N THR A 37 13.592 -12.229 2.782 1.00 41.35 N ATOM 486 CA THR A 37 14.374 -11.118 2.255 1.00 41.45 C ATOM 487 C THR A 37 15.675 -10.944 3.030 1.00 30.10 C ATOM 488 O THR A 37 15.813 -11.397 4.167 1.00 44.15 O ATOM 489 CB THR A 37 13.580 -9.798 2.304 1.00 23.53 C ATOM 490 OG1 THR A 37 12.725 -9.784 3.453 1.00 63.22 O ATOM 491 CG2 THR A 37 12.748 -9.620 1.044 1.00 74.13 C ATOM 0 H THR A 37 13.096 -12.022 3.649 1.00 41.35 H new ATOM 0 HA THR A 37 14.602 -11.358 1.217 1.00 41.45 H new ATOM 0 HB THR A 37 14.290 -8.974 2.370 1.00 23.53 H new ATOM 0 HG1 THR A 37 13.218 -10.116 4.232 1.00 63.22 H new ATOM 0 HG21 THR A 37 12.197 -8.682 1.102 1.00 74.13 H new ATOM 0 HG22 THR A 37 13.404 -9.602 0.174 1.00 74.13 H new ATOM 0 HG23 THR A 37 12.046 -10.448 0.952 1.00 74.13 H new ATOM 499 N PRO A 38 16.653 -10.272 2.404 1.00 31.52 N ATOM 500 CA PRO A 38 17.960 -10.023 3.018 1.00 2.35 C ATOM 501 C PRO A 38 17.879 -9.026 4.170 1.00 71.31 C ATOM 502 O PRO A 38 16.948 -8.224 4.246 1.00 41.11 O ATOM 503 CB PRO A 38 18.788 -9.444 1.868 1.00 31.21 C ATOM 504 CG PRO A 38 17.785 -8.843 0.945 1.00 2.20 C ATOM 505 CD PRO A 38 16.557 -9.705 1.049 1.00 44.31 C ATOM 0 HA PRO A 38 18.384 -10.928 3.454 1.00 2.35 H new ATOM 0 HB2 PRO A 38 19.495 -8.696 2.227 1.00 31.21 H new ATOM 0 HB3 PRO A 38 19.370 -10.219 1.370 1.00 31.21 H new ATOM 0 HG2 PRO A 38 17.564 -7.813 1.226 1.00 2.20 H new ATOM 0 HG3 PRO A 38 18.160 -8.821 -0.078 1.00 2.20 H new ATOM 0 HD2 PRO A 38 15.645 -9.122 0.921 1.00 44.31 H new ATOM 0 HD3 PRO A 38 16.547 -10.484 0.287 1.00 44.31 H new ATOM 513 N LYS A 39 18.859 -9.082 5.065 1.00 64.02 N ATOM 514 CA LYS A 39 18.901 -8.183 6.212 1.00 34.43 C ATOM 515 C LYS A 39 18.918 -6.726 5.762 1.00 75.21 C ATOM 516 O LYS A 39 18.472 -5.836 6.487 1.00 74.25 O ATOM 517 CB LYS A 39 20.132 -8.477 7.072 1.00 1.01 C ATOM 518 CG LYS A 39 20.178 -9.899 7.603 1.00 21.23 C ATOM 519 CD LYS A 39 21.552 -10.245 8.153 1.00 13.24 C ATOM 520 CE LYS A 39 21.706 -9.787 9.596 1.00 50.24 C ATOM 521 NZ LYS A 39 22.121 -8.359 9.683 1.00 73.22 N ATOM 0 H LYS A 39 19.636 -9.741 5.018 1.00 64.02 H new ATOM 0 HA LYS A 39 18.002 -8.350 6.806 1.00 34.43 H new ATOM 0 HB2 LYS A 39 21.030 -8.289 6.483 1.00 1.01 H new ATOM 0 HB3 LYS A 39 20.151 -7.783 7.913 1.00 1.01 H new ATOM 0 HG2 LYS A 39 19.430 -10.020 8.387 1.00 21.23 H new ATOM 0 HG3 LYS A 39 19.919 -10.595 6.805 1.00 21.23 H new ATOM 0 HD2 LYS A 39 21.708 -11.322 8.093 1.00 13.24 H new ATOM 0 HD3 LYS A 39 22.320 -9.777 7.537 1.00 13.24 H new ATOM 0 HE2 LYS A 39 20.762 -9.924 10.123 1.00 50.24 H new ATOM 0 HE3 LYS A 39 22.445 -10.411 10.098 1.00 50.24 H new ATOM 0 HZ1 LYS A 39 22.728 -8.224 10.516 1.00 73.22 H new ATOM 0 HZ2 LYS A 39 22.647 -8.098 8.825 1.00 73.22 H new ATOM 0 HZ3 LYS A 39 21.277 -7.757 9.769 1.00 73.22 H new ATOM 535 N LYS A 40 19.434 -6.489 4.561 1.00 55.13 N ATOM 536 CA LYS A 40 19.506 -5.140 4.012 1.00 63.25 C ATOM 537 C LYS A 40 18.137 -4.676 3.526 1.00 51.10 C ATOM 538 O LYS A 40 17.827 -3.485 3.561 1.00 65.41 O ATOM 539 CB LYS A 40 20.512 -5.090 2.859 1.00 72.31 C ATOM 540 CG LYS A 40 21.961 -5.105 3.315 1.00 54.24 C ATOM 541 CD LYS A 40 22.481 -6.524 3.474 1.00 12.52 C ATOM 542 CE LYS A 40 23.801 -6.551 4.229 1.00 60.51 C ATOM 543 NZ LYS A 40 24.964 -6.348 3.321 1.00 55.52 N ATOM 0 H LYS A 40 19.809 -7.214 3.949 1.00 55.13 H new ATOM 0 HA LYS A 40 19.837 -4.469 4.805 1.00 63.25 H new ATOM 0 HB2 LYS A 40 20.339 -5.940 2.199 1.00 72.31 H new ATOM 0 HB3 LYS A 40 20.334 -4.189 2.271 1.00 72.31 H new ATOM 0 HG2 LYS A 40 22.576 -4.570 2.592 1.00 54.24 H new ATOM 0 HG3 LYS A 40 22.050 -4.575 4.263 1.00 54.24 H new ATOM 0 HD2 LYS A 40 21.744 -7.126 4.006 1.00 12.52 H new ATOM 0 HD3 LYS A 40 22.613 -6.977 2.491 1.00 12.52 H new ATOM 0 HE2 LYS A 40 23.798 -5.775 4.994 1.00 60.51 H new ATOM 0 HE3 LYS A 40 23.905 -7.506 4.744 1.00 60.51 H new ATOM 0 HZ1 LYS A 40 25.845 -6.373 3.874 1.00 55.52 H new ATOM 0 HZ2 LYS A 40 24.982 -7.103 2.606 1.00 55.52 H new ATOM 0 HZ3 LYS A 40 24.878 -5.426 2.848 1.00 55.52 H new ATOM 557 N GLU A 41 17.321 -5.624 3.075 1.00 1.31 N ATOM 558 CA GLU A 41 15.985 -5.310 2.584 1.00 54.05 C ATOM 559 C GLU A 41 15.064 -4.906 3.731 1.00 34.13 C ATOM 560 O GLU A 41 14.579 -3.775 3.784 1.00 64.12 O ATOM 561 CB GLU A 41 15.395 -6.511 1.841 1.00 43.13 C ATOM 562 CG GLU A 41 13.935 -6.334 1.459 1.00 44.34 C ATOM 563 CD GLU A 41 13.640 -4.951 0.909 1.00 33.55 C ATOM 564 OE1 GLU A 41 14.468 -4.431 0.133 1.00 32.21 O ATOM 565 OE2 GLU A 41 12.579 -4.390 1.256 1.00 22.45 O ATOM 0 H GLU A 41 17.562 -6.615 3.040 1.00 1.31 H new ATOM 0 HA GLU A 41 16.068 -4.470 1.895 1.00 54.05 H new ATOM 0 HB2 GLU A 41 15.979 -6.691 0.938 1.00 43.13 H new ATOM 0 HB3 GLU A 41 15.493 -7.398 2.466 1.00 43.13 H new ATOM 0 HG2 GLU A 41 13.665 -7.083 0.714 1.00 44.34 H new ATOM 0 HG3 GLU A 41 13.310 -6.514 2.334 1.00 44.34 H new ATOM 572 N ILE A 42 14.826 -5.839 4.648 1.00 43.53 N ATOM 573 CA ILE A 42 13.964 -5.580 5.794 1.00 24.04 C ATOM 574 C ILE A 42 14.440 -4.360 6.576 1.00 42.03 C ATOM 575 O ILE A 42 13.646 -3.672 7.216 1.00 30.24 O ATOM 576 CB ILE A 42 13.909 -6.793 6.742 1.00 43.11 C ATOM 577 CG1 ILE A 42 15.315 -7.152 7.228 1.00 12.04 C ATOM 578 CG2 ILE A 42 13.265 -7.981 6.044 1.00 32.31 C ATOM 579 CD1 ILE A 42 15.724 -6.420 8.487 1.00 13.05 C ATOM 0 H ILE A 42 15.218 -6.780 4.619 1.00 43.53 H new ATOM 0 HA ILE A 42 12.965 -5.390 5.401 1.00 24.04 H new ATOM 0 HB ILE A 42 13.301 -6.532 7.608 1.00 43.11 H new ATOM 0 HG12 ILE A 42 15.365 -8.226 7.409 1.00 12.04 H new ATOM 0 HG13 ILE A 42 16.032 -6.928 6.438 1.00 12.04 H new ATOM 0 HG21 ILE A 42 13.233 -8.830 6.726 1.00 32.31 H new ATOM 0 HG22 ILE A 42 12.251 -7.720 5.742 1.00 32.31 H new ATOM 0 HG23 ILE A 42 13.849 -8.245 5.162 1.00 32.31 H new ATOM 0 HD11 ILE A 42 16.731 -6.723 8.773 1.00 13.05 H new ATOM 0 HD12 ILE A 42 15.707 -5.345 8.305 1.00 13.05 H new ATOM 0 HD13 ILE A 42 15.029 -6.663 9.291 1.00 13.05 H new ATOM 591 N ALA A 43 15.741 -4.097 6.516 1.00 5.43 N ATOM 592 CA ALA A 43 16.323 -2.957 7.215 1.00 71.11 C ATOM 593 C ALA A 43 16.025 -1.653 6.482 1.00 31.51 C ATOM 594 O ALA A 43 15.969 -0.586 7.093 1.00 51.02 O ATOM 595 CB ALA A 43 17.825 -3.145 7.372 1.00 14.15 C ATOM 0 H ALA A 43 16.412 -4.657 5.991 1.00 5.43 H new ATOM 0 HA ALA A 43 15.870 -2.899 8.205 1.00 71.11 H new ATOM 0 HB1 ALA A 43 18.246 -2.287 7.895 1.00 14.15 H new ATOM 0 HB2 ALA A 43 18.020 -4.051 7.945 1.00 14.15 H new ATOM 0 HB3 ALA A 43 18.286 -3.232 6.388 1.00 14.15 H new ATOM 601 N ARG A 44 15.835 -1.748 5.170 1.00 1.41 N ATOM 602 CA ARG A 44 15.545 -0.575 4.354 1.00 12.11 C ATOM 603 C ARG A 44 14.110 -0.104 4.570 1.00 35.01 C ATOM 604 O ARG A 44 13.865 1.071 4.844 1.00 21.04 O ATOM 605 CB ARG A 44 15.773 -0.888 2.874 1.00 12.11 C ATOM 606 CG ARG A 44 16.293 0.295 2.074 1.00 11.54 C ATOM 607 CD ARG A 44 17.770 0.541 2.339 1.00 21.41 C ATOM 608 NE ARG A 44 17.982 1.442 3.469 1.00 54.04 N ATOM 609 CZ ARG A 44 19.181 1.852 3.867 1.00 34.13 C ATOM 610 NH1 ARG A 44 20.270 1.443 3.231 1.00 12.42 N ATOM 611 NH2 ARG A 44 19.292 2.673 4.904 1.00 33.40 N ATOM 0 H ARG A 44 15.877 -2.624 4.650 1.00 1.41 H new ATOM 0 HA ARG A 44 16.221 0.224 4.658 1.00 12.11 H new ATOM 0 HB2 ARG A 44 16.482 -1.712 2.791 1.00 12.11 H new ATOM 0 HB3 ARG A 44 14.835 -1.229 2.435 1.00 12.11 H new ATOM 0 HG2 ARG A 44 16.139 0.112 1.011 1.00 11.54 H new ATOM 0 HG3 ARG A 44 15.723 1.188 2.330 1.00 11.54 H new ATOM 0 HD2 ARG A 44 18.266 -0.410 2.536 1.00 21.41 H new ATOM 0 HD3 ARG A 44 18.233 0.963 1.447 1.00 21.41 H new ATOM 0 HE ARG A 44 17.165 1.775 3.980 1.00 54.04 H new ATOM 0 HH11 ARG A 44 20.188 0.812 2.434 1.00 12.42 H new ATOM 0 HH12 ARG A 44 21.190 1.759 3.539 1.00 12.42 H new ATOM 0 HH21 ARG A 44 18.456 2.989 5.396 1.00 33.40 H new ATOM 0 HH22 ARG A 44 20.213 2.987 5.209 1.00 33.40 H new ATOM 625 N VAL A 45 13.163 -1.029 4.444 1.00 23.10 N ATOM 626 CA VAL A 45 11.752 -0.709 4.626 1.00 65.31 C ATOM 627 C VAL A 45 11.458 -0.323 6.071 1.00 45.40 C ATOM 628 O VAL A 45 10.635 0.555 6.335 1.00 21.43 O ATOM 629 CB VAL A 45 10.853 -1.895 4.230 1.00 34.11 C ATOM 630 CG1 VAL A 45 10.970 -2.181 2.741 1.00 42.02 C ATOM 631 CG2 VAL A 45 11.207 -3.128 5.048 1.00 73.13 C ATOM 0 H VAL A 45 13.348 -2.006 4.217 1.00 23.10 H new ATOM 0 HA VAL A 45 11.532 0.137 3.975 1.00 65.31 H new ATOM 0 HB VAL A 45 9.817 -1.630 4.444 1.00 34.11 H new ATOM 0 HG11 VAL A 45 10.328 -3.022 2.480 1.00 42.02 H new ATOM 0 HG12 VAL A 45 10.662 -1.301 2.176 1.00 42.02 H new ATOM 0 HG13 VAL A 45 12.004 -2.425 2.498 1.00 42.02 H new ATOM 0 HG21 VAL A 45 10.562 -3.956 4.755 1.00 73.13 H new ATOM 0 HG22 VAL A 45 12.248 -3.397 4.868 1.00 73.13 H new ATOM 0 HG23 VAL A 45 11.065 -2.915 6.107 1.00 73.13 H new ATOM 641 N LEU A 46 12.137 -0.982 7.004 1.00 53.14 N ATOM 642 CA LEU A 46 11.949 -0.707 8.424 1.00 63.10 C ATOM 643 C LEU A 46 12.521 0.658 8.795 1.00 72.44 C ATOM 644 O LEU A 46 11.920 1.404 9.566 1.00 11.35 O ATOM 645 CB LEU A 46 12.614 -1.797 9.267 1.00 61.14 C ATOM 646 CG LEU A 46 11.836 -3.106 9.405 1.00 24.23 C ATOM 647 CD1 LEU A 46 12.717 -4.188 10.011 1.00 35.41 C ATOM 648 CD2 LEU A 46 10.587 -2.898 10.249 1.00 3.31 C ATOM 0 H LEU A 46 12.822 -1.710 6.803 1.00 53.14 H new ATOM 0 HA LEU A 46 10.878 -0.700 8.629 1.00 63.10 H new ATOM 0 HB2 LEU A 46 13.588 -2.021 8.833 1.00 61.14 H new ATOM 0 HB3 LEU A 46 12.794 -1.398 10.265 1.00 61.14 H new ATOM 0 HG LEU A 46 11.528 -3.430 8.411 1.00 24.23 H new ATOM 0 HD11 LEU A 46 12.147 -5.113 10.102 1.00 35.41 H new ATOM 0 HD12 LEU A 46 13.581 -4.356 9.368 1.00 35.41 H new ATOM 0 HD13 LEU A 46 13.055 -3.872 10.998 1.00 35.41 H new ATOM 0 HD21 LEU A 46 10.046 -3.840 10.336 1.00 3.31 H new ATOM 0 HD22 LEU A 46 10.872 -2.550 11.242 1.00 3.31 H new ATOM 0 HD23 LEU A 46 9.947 -2.155 9.774 1.00 3.31 H new ATOM 660 N ALA A 47 13.684 0.977 8.237 1.00 2.34 N ATOM 661 CA ALA A 47 14.335 2.254 8.506 1.00 73.20 C ATOM 662 C ALA A 47 13.562 3.407 7.874 1.00 4.14 C ATOM 663 O ALA A 47 13.665 4.551 8.316 1.00 4.43 O ATOM 664 CB ALA A 47 15.768 2.234 7.996 1.00 71.45 C ATOM 0 H ALA A 47 14.195 0.370 7.596 1.00 2.34 H new ATOM 0 HA ALA A 47 14.348 2.407 9.585 1.00 73.20 H new ATOM 0 HB1 ALA A 47 16.242 3.194 8.204 1.00 71.45 H new ATOM 0 HB2 ALA A 47 16.322 1.440 8.497 1.00 71.45 H new ATOM 0 HB3 ALA A 47 15.769 2.054 6.921 1.00 71.45 H new ATOM 670 N SER A 48 12.790 3.098 6.838 1.00 55.40 N ATOM 671 CA SER A 48 12.003 4.110 6.143 1.00 41.54 C ATOM 672 C SER A 48 10.686 4.368 6.868 1.00 74.44 C ATOM 673 O SER A 48 10.187 5.494 6.894 1.00 62.22 O ATOM 674 CB SER A 48 11.729 3.673 4.702 1.00 11.14 C ATOM 675 OG SER A 48 11.532 4.794 3.858 1.00 73.21 O ATOM 0 H SER A 48 12.692 2.155 6.461 1.00 55.40 H new ATOM 0 HA SER A 48 12.578 5.036 6.131 1.00 41.54 H new ATOM 0 HB2 SER A 48 12.565 3.079 4.334 1.00 11.14 H new ATOM 0 HB3 SER A 48 10.847 3.033 4.674 1.00 11.14 H new ATOM 0 HG SER A 48 11.360 4.488 2.943 1.00 73.21 H new ATOM 681 N LEU A 49 10.126 3.316 7.455 1.00 21.32 N ATOM 682 CA LEU A 49 8.866 3.426 8.182 1.00 73.45 C ATOM 683 C LEU A 49 9.098 3.930 9.602 1.00 22.33 C ATOM 684 O LEU A 49 8.401 4.827 10.075 1.00 44.22 O ATOM 685 CB LEU A 49 8.156 2.071 8.219 1.00 51.15 C ATOM 686 CG LEU A 49 7.174 1.797 7.079 1.00 60.40 C ATOM 687 CD1 LEU A 49 6.038 2.808 7.098 1.00 63.23 C ATOM 688 CD2 LEU A 49 7.892 1.823 5.738 1.00 45.52 C ATOM 0 H LEU A 49 10.524 2.377 7.442 1.00 21.32 H new ATOM 0 HA LEU A 49 8.236 4.146 7.660 1.00 73.45 H new ATOM 0 HB2 LEU A 49 8.913 1.287 8.217 1.00 51.15 H new ATOM 0 HB3 LEU A 49 7.617 1.991 9.163 1.00 51.15 H new ATOM 0 HG LEU A 49 6.750 0.803 7.222 1.00 60.40 H new ATOM 0 HD11 LEU A 49 5.349 2.597 6.280 1.00 63.23 H new ATOM 0 HD12 LEU A 49 5.506 2.740 8.047 1.00 63.23 H new ATOM 0 HD13 LEU A 49 6.443 3.813 6.981 1.00 63.23 H new ATOM 0 HD21 LEU A 49 7.177 1.626 4.939 1.00 45.52 H new ATOM 0 HD22 LEU A 49 8.345 2.803 5.587 1.00 45.52 H new ATOM 0 HD23 LEU A 49 8.669 1.059 5.726 1.00 45.52 H new ATOM 700 N ALA A 50 10.084 3.347 10.277 1.00 13.34 N ATOM 701 CA ALA A 50 10.411 3.740 11.642 1.00 0.33 C ATOM 702 C ALA A 50 10.596 5.250 11.750 1.00 52.24 C ATOM 703 O ALA A 50 10.085 5.885 12.673 1.00 60.23 O ATOM 704 CB ALA A 50 11.665 3.018 12.113 1.00 11.41 C ATOM 0 H ALA A 50 10.670 2.601 9.901 1.00 13.34 H new ATOM 0 HA ALA A 50 9.578 3.456 12.285 1.00 0.33 H new ATOM 0 HB1 ALA A 50 11.898 3.321 13.134 1.00 11.41 H new ATOM 0 HB2 ALA A 50 11.498 1.941 12.083 1.00 11.41 H new ATOM 0 HB3 ALA A 50 12.499 3.274 11.460 1.00 11.41 H new ATOM 710 N LYS A 51 11.330 5.821 10.800 1.00 32.42 N ATOM 711 CA LYS A 51 11.582 7.257 10.787 1.00 64.52 C ATOM 712 C LYS A 51 10.274 8.039 10.730 1.00 70.43 C ATOM 713 O LYS A 51 10.186 9.159 11.233 1.00 73.14 O ATOM 714 CB LYS A 51 12.464 7.629 9.593 1.00 71.05 C ATOM 715 CG LYS A 51 13.005 9.047 9.654 1.00 14.05 C ATOM 716 CD LYS A 51 14.064 9.193 10.734 1.00 12.30 C ATOM 717 CE LYS A 51 15.449 8.855 10.205 1.00 2.11 C ATOM 718 NZ LYS A 51 16.397 8.523 11.305 1.00 40.43 N ATOM 0 H LYS A 51 11.761 5.311 10.029 1.00 32.42 H new ATOM 0 HA LYS A 51 12.100 7.518 11.710 1.00 64.52 H new ATOM 0 HB2 LYS A 51 13.300 6.932 9.539 1.00 71.05 H new ATOM 0 HB3 LYS A 51 11.888 7.508 8.675 1.00 71.05 H new ATOM 0 HG2 LYS A 51 13.430 9.317 8.687 1.00 14.05 H new ATOM 0 HG3 LYS A 51 12.188 9.741 9.848 1.00 14.05 H new ATOM 0 HD2 LYS A 51 14.058 10.214 11.115 1.00 12.30 H new ATOM 0 HD3 LYS A 51 13.824 8.539 11.572 1.00 12.30 H new ATOM 0 HE2 LYS A 51 15.380 8.011 9.518 1.00 2.11 H new ATOM 0 HE3 LYS A 51 15.836 9.699 9.634 1.00 2.11 H new ATOM 0 HZ1 LYS A 51 17.330 8.298 10.904 1.00 40.43 H new ATOM 0 HZ2 LYS A 51 16.483 9.337 11.947 1.00 40.43 H new ATOM 0 HZ3 LYS A 51 16.041 7.701 11.834 1.00 40.43 H new ATOM 732 N LYS A 52 9.259 7.441 10.115 1.00 31.54 N ATOM 733 CA LYS A 52 7.954 8.079 9.995 1.00 54.03 C ATOM 734 C LYS A 52 7.156 7.936 11.287 1.00 24.12 C ATOM 735 O LYS A 52 6.184 8.655 11.511 1.00 54.02 O ATOM 736 CB LYS A 52 7.171 7.469 8.830 1.00 55.52 C ATOM 737 CG LYS A 52 5.737 7.962 8.737 1.00 73.01 C ATOM 738 CD LYS A 52 5.002 7.323 7.570 1.00 2.31 C ATOM 739 CE LYS A 52 4.257 6.069 8.000 1.00 61.11 C ATOM 740 NZ LYS A 52 3.542 5.431 6.860 1.00 32.23 N ATOM 0 H LYS A 52 9.316 6.515 9.692 1.00 31.54 H new ATOM 0 HA LYS A 52 8.113 9.140 9.803 1.00 54.03 H new ATOM 0 HB2 LYS A 52 7.686 7.698 7.897 1.00 55.52 H new ATOM 0 HB3 LYS A 52 7.167 6.384 8.934 1.00 55.52 H new ATOM 0 HG2 LYS A 52 5.213 7.736 9.666 1.00 73.01 H new ATOM 0 HG3 LYS A 52 5.731 9.046 8.623 1.00 73.01 H new ATOM 0 HD2 LYS A 52 4.297 8.039 7.147 1.00 2.31 H new ATOM 0 HD3 LYS A 52 5.714 7.073 6.783 1.00 2.31 H new ATOM 0 HE2 LYS A 52 4.962 5.358 8.431 1.00 61.11 H new ATOM 0 HE3 LYS A 52 3.541 6.322 8.782 1.00 61.11 H new ATOM 0 HZ1 LYS A 52 3.047 4.580 7.194 1.00 32.23 H new ATOM 0 HZ2 LYS A 52 2.852 6.101 6.465 1.00 32.23 H new ATOM 0 HZ3 LYS A 52 4.228 5.166 6.124 1.00 32.23 H new ATOM 754 N GLY A 53 7.576 7.003 12.136 1.00 25.24 N ATOM 755 CA GLY A 53 6.891 6.784 13.397 1.00 72.25 C ATOM 756 C GLY A 53 5.941 5.604 13.342 1.00 32.12 C ATOM 757 O GLY A 53 5.174 5.371 14.277 1.00 74.15 O ATOM 0 H GLY A 53 8.378 6.395 11.973 1.00 25.24 H new ATOM 0 HA2 GLY A 53 7.627 6.618 14.183 1.00 72.25 H new ATOM 0 HA3 GLY A 53 6.335 7.682 13.666 1.00 72.25 H new ATOM 761 N LYS A 54 5.990 4.857 12.244 1.00 14.13 N ATOM 762 CA LYS A 54 5.127 3.695 12.070 1.00 31.41 C ATOM 763 C LYS A 54 5.782 2.440 12.639 1.00 4.43 C ATOM 764 O LYS A 54 5.104 1.464 12.960 1.00 34.12 O ATOM 765 CB LYS A 54 4.808 3.488 10.588 1.00 52.23 C ATOM 766 CG LYS A 54 4.004 2.230 10.308 1.00 13.30 C ATOM 767 CD LYS A 54 2.629 2.293 10.952 1.00 31.41 C ATOM 768 CE LYS A 54 1.675 3.160 10.146 1.00 15.30 C ATOM 769 NZ LYS A 54 1.689 4.576 10.607 1.00 54.30 N ATOM 0 H LYS A 54 6.619 5.036 11.461 1.00 14.13 H new ATOM 0 HA LYS A 54 4.200 3.878 12.613 1.00 31.41 H new ATOM 0 HB2 LYS A 54 4.255 4.352 10.220 1.00 52.23 H new ATOM 0 HB3 LYS A 54 5.741 3.445 10.027 1.00 52.23 H new ATOM 0 HG2 LYS A 54 3.897 2.097 9.231 1.00 13.30 H new ATOM 0 HG3 LYS A 54 4.544 1.361 10.684 1.00 13.30 H new ATOM 0 HD2 LYS A 54 2.221 1.286 11.040 1.00 31.41 H new ATOM 0 HD3 LYS A 54 2.718 2.691 11.963 1.00 31.41 H new ATOM 0 HE2 LYS A 54 1.949 3.118 9.092 1.00 15.30 H new ATOM 0 HE3 LYS A 54 0.664 2.761 10.228 1.00 15.30 H new ATOM 0 HZ1 LYS A 54 0.759 4.821 11.003 1.00 54.30 H new ATOM 0 HZ2 LYS A 54 2.419 4.696 11.338 1.00 54.30 H new ATOM 0 HZ3 LYS A 54 1.899 5.201 9.803 1.00 54.30 H new ATOM 783 N LEU A 55 7.105 2.474 12.763 1.00 34.14 N ATOM 784 CA LEU A 55 7.852 1.340 13.296 1.00 70.11 C ATOM 785 C LEU A 55 8.704 1.761 14.489 1.00 14.02 C ATOM 786 O LEU A 55 9.085 2.925 14.611 1.00 64.43 O ATOM 787 CB LEU A 55 8.741 0.734 12.209 1.00 43.14 C ATOM 788 CG LEU A 55 8.139 -0.429 11.419 1.00 12.34 C ATOM 789 CD1 LEU A 55 7.803 -1.586 12.347 1.00 63.31 C ATOM 790 CD2 LEU A 55 6.900 0.026 10.662 1.00 40.24 C ATOM 0 H LEU A 55 7.682 3.274 12.502 1.00 34.14 H new ATOM 0 HA LEU A 55 7.136 0.590 13.631 1.00 70.11 H new ATOM 0 HB2 LEU A 55 9.010 1.523 11.507 1.00 43.14 H new ATOM 0 HB3 LEU A 55 9.666 0.391 12.673 1.00 43.14 H new ATOM 0 HG LEU A 55 8.877 -0.773 10.695 1.00 12.34 H new ATOM 0 HD11 LEU A 55 7.376 -2.405 11.768 1.00 63.31 H new ATOM 0 HD12 LEU A 55 8.710 -1.928 12.845 1.00 63.31 H new ATOM 0 HD13 LEU A 55 7.082 -1.255 13.094 1.00 63.31 H new ATOM 0 HD21 LEU A 55 6.485 -0.814 10.105 1.00 40.24 H new ATOM 0 HD22 LEU A 55 6.157 0.396 11.369 1.00 40.24 H new ATOM 0 HD23 LEU A 55 7.169 0.823 9.969 1.00 40.24 H new ATOM 802 N GLN A 56 8.999 0.806 15.365 1.00 14.35 N ATOM 803 CA GLN A 56 9.807 1.079 16.548 1.00 34.33 C ATOM 804 C GLN A 56 10.597 -0.158 16.964 1.00 12.44 C ATOM 805 O GLN A 56 10.046 -1.095 17.542 1.00 15.44 O ATOM 806 CB GLN A 56 8.918 1.543 17.703 1.00 13.13 C ATOM 807 CG GLN A 56 7.626 0.753 17.832 1.00 34.43 C ATOM 808 CD GLN A 56 7.021 0.845 19.220 1.00 62.15 C ATOM 809 OE1 GLN A 56 5.843 1.167 19.376 1.00 41.43 O ATOM 810 NE2 GLN A 56 7.826 0.561 20.237 1.00 44.25 N ATOM 0 H GLN A 56 8.691 -0.163 15.278 1.00 14.35 H new ATOM 0 HA GLN A 56 10.512 1.872 16.301 1.00 34.33 H new ATOM 0 HB2 GLN A 56 9.477 1.464 18.635 1.00 13.13 H new ATOM 0 HB3 GLN A 56 8.677 2.597 17.564 1.00 13.13 H new ATOM 0 HG2 GLN A 56 6.906 1.120 17.101 1.00 34.43 H new ATOM 0 HG3 GLN A 56 7.819 -0.293 17.592 1.00 34.43 H new ATOM 0 HE21 GLN A 56 8.796 0.299 20.062 1.00 44.25 H new ATOM 0 HE22 GLN A 56 7.474 0.605 21.193 1.00 44.25 H new ATOM 819 N LYS A 57 11.892 -0.154 16.666 1.00 34.14 N ATOM 820 CA LYS A 57 12.759 -1.274 17.010 1.00 63.42 C ATOM 821 C LYS A 57 13.348 -1.099 18.406 1.00 13.21 C ATOM 822 O LYS A 57 13.991 -0.091 18.695 1.00 3.24 O ATOM 823 CB LYS A 57 13.886 -1.407 15.983 1.00 42.21 C ATOM 824 CG LYS A 57 14.672 -0.124 15.774 1.00 63.12 C ATOM 825 CD LYS A 57 16.158 -0.335 16.013 1.00 31.24 C ATOM 826 CE LYS A 57 17.000 0.475 15.040 1.00 61.13 C ATOM 827 NZ LYS A 57 18.450 0.156 15.161 1.00 35.34 N ATOM 0 H LYS A 57 12.364 0.613 16.187 1.00 34.14 H new ATOM 0 HA LYS A 57 12.157 -2.183 17.001 1.00 63.42 H new ATOM 0 HB2 LYS A 57 14.569 -2.193 16.305 1.00 42.21 H new ATOM 0 HB3 LYS A 57 13.462 -1.723 15.030 1.00 42.21 H new ATOM 0 HG2 LYS A 57 14.514 0.239 14.759 1.00 63.12 H new ATOM 0 HG3 LYS A 57 14.300 0.646 16.450 1.00 63.12 H new ATOM 0 HD2 LYS A 57 16.407 -0.051 17.035 1.00 31.24 H new ATOM 0 HD3 LYS A 57 16.398 -1.393 15.909 1.00 31.24 H new ATOM 0 HE2 LYS A 57 16.669 0.277 14.021 1.00 61.13 H new ATOM 0 HE3 LYS A 57 16.846 1.538 15.224 1.00 61.13 H new ATOM 0 HZ1 LYS A 57 18.989 0.729 14.481 1.00 35.34 H new ATOM 0 HZ2 LYS A 57 18.773 0.369 16.126 1.00 35.34 H new ATOM 0 HZ3 LYS A 57 18.601 -0.853 14.960 1.00 35.34 H new ATOM 841 N GLU A 58 13.123 -2.087 19.267 1.00 43.03 N ATOM 842 CA GLU A 58 13.633 -2.040 20.632 1.00 34.32 C ATOM 843 C GLU A 58 15.156 -2.122 20.648 1.00 63.03 C ATOM 844 O GLU A 58 15.730 -3.210 20.675 1.00 33.51 O ATOM 845 CB GLU A 58 13.041 -3.183 21.460 1.00 22.11 C ATOM 846 CG GLU A 58 12.822 -2.827 22.921 1.00 43.52 C ATOM 847 CD GLU A 58 11.685 -3.609 23.548 1.00 23.24 C ATOM 848 OE1 GLU A 58 11.170 -4.537 22.890 1.00 50.13 O ATOM 849 OE2 GLU A 58 11.311 -3.294 24.697 1.00 34.51 O ATOM 0 H GLU A 58 12.592 -2.928 19.043 1.00 43.03 H new ATOM 0 HA GLU A 58 13.334 -1.089 21.072 1.00 34.32 H new ATOM 0 HB2 GLU A 58 12.089 -3.483 21.021 1.00 22.11 H new ATOM 0 HB3 GLU A 58 13.705 -4.045 21.401 1.00 22.11 H new ATOM 0 HG2 GLU A 58 13.739 -3.017 23.479 1.00 43.52 H new ATOM 0 HG3 GLU A 58 12.613 -1.760 23.004 1.00 43.52 H new ATOM 856 N ALA A 59 15.805 -0.962 20.629 1.00 24.53 N ATOM 857 CA ALA A 59 17.262 -0.902 20.643 1.00 53.14 C ATOM 858 C ALA A 59 17.793 -0.773 22.066 1.00 32.53 C ATOM 859 O ALA A 59 18.227 0.300 22.483 1.00 75.30 O ATOM 860 CB ALA A 59 17.749 0.259 19.789 1.00 65.15 C ATOM 0 H ALA A 59 15.345 -0.052 20.604 1.00 24.53 H new ATOM 0 HA ALA A 59 17.644 -1.833 20.224 1.00 53.14 H new ATOM 0 HB1 ALA A 59 18.838 0.293 19.808 1.00 65.15 H new ATOM 0 HB2 ALA A 59 17.408 0.124 18.763 1.00 65.15 H new ATOM 0 HB3 ALA A 59 17.350 1.193 20.184 1.00 65.15 H new ATOM 866 N GLY A 60 17.755 -1.876 22.809 1.00 12.31 N ATOM 867 CA GLY A 60 18.235 -1.864 24.179 1.00 74.24 C ATOM 868 C GLY A 60 18.572 -3.252 24.686 1.00 2.14 C ATOM 869 O GLY A 60 19.227 -4.033 23.995 1.00 54.13 O ATOM 0 H GLY A 60 17.401 -2.777 22.487 1.00 12.31 H new ATOM 0 HA2 GLY A 60 19.120 -1.231 24.245 1.00 74.24 H new ATOM 0 HA3 GLY A 60 17.476 -1.419 24.823 1.00 74.24 H new ATOM 873 N THR A 61 18.126 -3.561 25.900 1.00 24.12 N ATOM 874 CA THR A 61 18.387 -4.863 26.502 1.00 44.34 C ATOM 875 C THR A 61 17.761 -5.984 25.680 1.00 11.40 C ATOM 876 O THR A 61 18.451 -6.835 25.119 1.00 31.35 O ATOM 877 CB THR A 61 17.847 -4.934 27.942 1.00 24.34 C ATOM 878 OG1 THR A 61 17.097 -3.752 28.244 1.00 65.22 O ATOM 879 CG2 THR A 61 18.986 -5.087 28.940 1.00 53.10 C ATOM 0 H THR A 61 17.582 -2.927 26.486 1.00 24.12 H new ATOM 0 HA THR A 61 19.469 -4.991 26.521 1.00 44.34 H new ATOM 0 HB THR A 61 17.197 -5.805 28.020 1.00 24.34 H new ATOM 0 HG1 THR A 61 16.756 -3.806 29.161 1.00 65.22 H new ATOM 0 HG21 THR A 61 18.580 -5.135 29.951 1.00 53.10 H new ATOM 0 HG22 THR A 61 19.537 -6.003 28.726 1.00 53.10 H new ATOM 0 HG23 THR A 61 19.658 -4.233 28.859 1.00 53.10 H new ATOM 887 N PRO A 62 16.422 -5.986 25.604 1.00 13.55 N ATOM 888 CA PRO A 62 15.673 -6.996 24.852 1.00 72.22 C ATOM 889 C PRO A 62 15.855 -6.850 23.345 1.00 63.20 C ATOM 890 O PRO A 62 15.323 -5.935 22.717 1.00 75.23 O ATOM 891 CB PRO A 62 14.218 -6.724 25.243 1.00 22.21 C ATOM 892 CG PRO A 62 14.193 -5.287 25.633 1.00 42.40 C ATOM 893 CD PRO A 62 15.536 -5.001 26.248 1.00 55.14 C ATOM 0 HA PRO A 62 16.009 -8.007 25.083 1.00 72.22 H new ATOM 0 HB2 PRO A 62 13.541 -6.920 24.411 1.00 22.21 H new ATOM 0 HB3 PRO A 62 13.903 -7.364 26.068 1.00 22.21 H new ATOM 0 HG2 PRO A 62 14.017 -4.650 24.766 1.00 42.40 H new ATOM 0 HG3 PRO A 62 13.389 -5.089 26.342 1.00 42.40 H new ATOM 0 HD2 PRO A 62 15.860 -3.979 26.050 1.00 55.14 H new ATOM 0 HD3 PRO A 62 15.517 -5.125 27.331 1.00 55.14 H new ATOM 901 N PRO A 63 16.626 -7.772 22.749 1.00 33.52 N ATOM 902 CA PRO A 63 16.895 -7.768 21.308 1.00 1.13 C ATOM 903 C PRO A 63 15.661 -8.126 20.487 1.00 44.33 C ATOM 904 O PRO A 63 15.367 -9.302 20.270 1.00 14.05 O ATOM 905 CB PRO A 63 17.975 -8.840 21.146 1.00 62.30 C ATOM 906 CG PRO A 63 17.778 -9.755 22.305 1.00 1.03 C ATOM 907 CD PRO A 63 17.293 -8.891 23.436 1.00 34.23 C ATOM 0 HA PRO A 63 17.196 -6.783 20.952 1.00 1.13 H new ATOM 0 HB2 PRO A 63 17.867 -9.371 20.200 1.00 62.30 H new ATOM 0 HB3 PRO A 63 18.973 -8.401 21.153 1.00 62.30 H new ATOM 0 HG2 PRO A 63 17.052 -10.533 22.069 1.00 1.03 H new ATOM 0 HG3 PRO A 63 18.709 -10.257 22.569 1.00 1.03 H new ATOM 0 HD2 PRO A 63 16.605 -9.430 24.087 1.00 34.23 H new ATOM 0 HD3 PRO A 63 18.117 -8.545 24.060 1.00 34.23 H new ATOM 915 N LEU A 64 14.944 -7.105 20.031 1.00 72.14 N ATOM 916 CA LEU A 64 13.741 -7.312 19.231 1.00 20.14 C ATOM 917 C LEU A 64 13.196 -5.985 18.714 1.00 12.21 C ATOM 918 O LEU A 64 13.569 -4.917 19.201 1.00 72.50 O ATOM 919 CB LEU A 64 12.672 -8.028 20.059 1.00 50.11 C ATOM 920 CG LEU A 64 11.504 -8.626 19.274 1.00 64.34 C ATOM 921 CD1 LEU A 64 11.158 -10.009 19.803 1.00 33.04 C ATOM 922 CD2 LEU A 64 10.292 -7.709 19.339 1.00 40.24 C ATOM 0 H LEU A 64 15.174 -6.126 20.201 1.00 72.14 H new ATOM 0 HA LEU A 64 14.005 -7.933 18.375 1.00 20.14 H new ATOM 0 HB2 LEU A 64 13.153 -8.828 20.622 1.00 50.11 H new ATOM 0 HB3 LEU A 64 12.271 -7.322 20.787 1.00 50.11 H new ATOM 0 HG LEU A 64 11.805 -8.723 18.231 1.00 64.34 H new ATOM 0 HD11 LEU A 64 10.325 -10.419 19.232 1.00 33.04 H new ATOM 0 HD12 LEU A 64 12.023 -10.664 19.703 1.00 33.04 H new ATOM 0 HD13 LEU A 64 10.877 -9.937 20.854 1.00 33.04 H new ATOM 0 HD21 LEU A 64 9.471 -8.151 18.775 1.00 40.24 H new ATOM 0 HD22 LEU A 64 9.990 -7.579 20.378 1.00 40.24 H new ATOM 0 HD23 LEU A 64 10.546 -6.739 18.911 1.00 40.24 H new ATOM 934 N TRP A 65 12.310 -6.060 17.727 1.00 4.42 N ATOM 935 CA TRP A 65 11.712 -4.863 17.145 1.00 32.45 C ATOM 936 C TRP A 65 10.192 -4.976 17.113 1.00 74.33 C ATOM 937 O TRP A 65 9.643 -6.063 16.929 1.00 64.33 O ATOM 938 CB TRP A 65 12.249 -4.635 15.732 1.00 62.22 C ATOM 939 CG TRP A 65 13.433 -5.492 15.401 1.00 64.41 C ATOM 940 CD1 TRP A 65 13.479 -6.512 14.494 1.00 71.32 C ATOM 941 CD2 TRP A 65 14.742 -5.405 15.976 1.00 72.05 C ATOM 942 NE1 TRP A 65 14.737 -7.064 14.470 1.00 60.30 N ATOM 943 CE2 TRP A 65 15.531 -6.402 15.369 1.00 35.31 C ATOM 944 CE3 TRP A 65 15.325 -4.580 16.941 1.00 35.34 C ATOM 945 CZ2 TRP A 65 16.869 -6.596 15.700 1.00 42.54 C ATOM 946 CZ3 TRP A 65 16.653 -4.774 17.269 1.00 42.45 C ATOM 947 CH2 TRP A 65 17.414 -5.774 16.649 1.00 51.14 C ATOM 0 H TRP A 65 11.990 -6.936 17.313 1.00 4.42 H new ATOM 0 HA TRP A 65 11.982 -4.011 17.769 1.00 32.45 H new ATOM 0 HB2 TRP A 65 11.454 -4.833 15.013 1.00 62.22 H new ATOM 0 HB3 TRP A 65 12.526 -3.587 15.621 1.00 62.22 H new ATOM 0 HD1 TRP A 65 12.648 -6.837 13.885 1.00 71.32 H new ATOM 0 HE1 TRP A 65 15.032 -7.841 13.879 1.00 60.30 H new ATOM 0 HE3 TRP A 65 14.748 -3.804 17.422 1.00 35.34 H new ATOM 0 HZ2 TRP A 65 17.456 -7.368 15.225 1.00 42.54 H new ATOM 0 HZ3 TRP A 65 17.113 -4.144 18.016 1.00 42.45 H new ATOM 0 HH2 TRP A 65 18.451 -5.899 16.925 1.00 51.14 H new ATOM 958 N LYS A 66 9.515 -3.847 17.292 1.00 72.12 N ATOM 959 CA LYS A 66 8.057 -3.818 17.281 1.00 20.43 C ATOM 960 C LYS A 66 7.541 -2.749 16.324 1.00 72.12 C ATOM 961 O LYS A 66 8.309 -1.925 15.827 1.00 11.31 O ATOM 962 CB LYS A 66 7.521 -3.557 18.691 1.00 63.41 C ATOM 963 CG LYS A 66 8.360 -2.574 19.488 1.00 44.30 C ATOM 964 CD LYS A 66 7.830 -2.406 20.902 1.00 22.41 C ATOM 965 CE LYS A 66 8.076 -3.652 21.740 1.00 13.54 C ATOM 966 NZ LYS A 66 7.714 -3.438 23.169 1.00 23.42 N ATOM 0 H LYS A 66 9.953 -2.939 17.447 1.00 72.12 H new ATOM 0 HA LYS A 66 7.702 -4.790 16.938 1.00 20.43 H new ATOM 0 HB2 LYS A 66 6.502 -3.177 18.619 1.00 63.41 H new ATOM 0 HB3 LYS A 66 7.471 -4.502 19.232 1.00 63.41 H new ATOM 0 HG2 LYS A 66 9.392 -2.922 19.524 1.00 44.30 H new ATOM 0 HG3 LYS A 66 8.367 -1.608 18.984 1.00 44.30 H new ATOM 0 HD2 LYS A 66 8.311 -1.549 21.373 1.00 22.41 H new ATOM 0 HD3 LYS A 66 6.761 -2.194 20.869 1.00 22.41 H new ATOM 0 HE2 LYS A 66 7.494 -4.481 21.338 1.00 13.54 H new ATOM 0 HE3 LYS A 66 9.126 -3.936 21.670 1.00 13.54 H new ATOM 0 HZ1 LYS A 66 7.896 -4.309 23.707 1.00 23.42 H new ATOM 0 HZ2 LYS A 66 8.287 -2.663 23.560 1.00 23.42 H new ATOM 0 HZ3 LYS A 66 6.706 -3.192 23.239 1.00 23.42 H new ATOM 980 N ILE A 67 6.237 -2.768 16.071 1.00 54.13 N ATOM 981 CA ILE A 67 5.619 -1.798 15.175 1.00 73.00 C ATOM 982 C ILE A 67 4.844 -0.743 15.957 1.00 5.43 C ATOM 983 O ILE A 67 4.142 -1.058 16.917 1.00 74.11 O ATOM 984 CB ILE A 67 4.667 -2.481 14.176 1.00 73.33 C ATOM 985 CG1 ILE A 67 3.447 -3.048 14.906 1.00 50.24 C ATOM 986 CG2 ILE A 67 5.395 -3.581 13.418 1.00 71.05 C ATOM 987 CD1 ILE A 67 2.483 -3.777 13.996 1.00 40.42 C ATOM 0 H ILE A 67 5.588 -3.444 16.474 1.00 54.13 H new ATOM 0 HA ILE A 67 6.428 -1.318 14.624 1.00 73.00 H new ATOM 0 HB ILE A 67 4.324 -1.737 13.457 1.00 73.33 H new ATOM 0 HG12 ILE A 67 3.785 -3.731 15.685 1.00 50.24 H new ATOM 0 HG13 ILE A 67 2.920 -2.233 15.403 1.00 50.24 H new ATOM 0 HG21 ILE A 67 4.709 -4.054 12.716 1.00 71.05 H new ATOM 0 HG22 ILE A 67 6.235 -3.152 12.871 1.00 71.05 H new ATOM 0 HG23 ILE A 67 5.764 -4.326 14.123 1.00 71.05 H new ATOM 0 HD11 ILE A 67 1.643 -4.152 14.581 1.00 40.42 H new ATOM 0 HD12 ILE A 67 2.116 -3.092 13.231 1.00 40.42 H new ATOM 0 HD13 ILE A 67 2.995 -4.613 13.519 1.00 40.42 H new ATOM 999 N ALA A 68 4.977 0.512 15.539 1.00 23.21 N ATOM 1000 CA ALA A 68 4.287 1.614 16.198 1.00 62.21 C ATOM 1001 C ALA A 68 2.912 1.847 15.582 1.00 33.32 C ATOM 1002 O ALA A 68 1.903 1.879 16.288 1.00 74.02 O ATOM 1003 CB ALA A 68 5.124 2.882 16.120 1.00 11.33 C ATOM 0 H ALA A 68 5.556 0.790 14.747 1.00 23.21 H new ATOM 0 HA ALA A 68 4.147 1.348 17.246 1.00 62.21 H new ATOM 0 HB1 ALA A 68 4.597 3.697 16.616 1.00 11.33 H new ATOM 0 HB2 ALA A 68 6.082 2.716 16.613 1.00 11.33 H new ATOM 0 HB3 ALA A 68 5.294 3.142 15.075 1.00 11.33 H new TER 1009 ALA A 68