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 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 9 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.26) USER MOD Single : A 11 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 32 SER OG : rot 34:sc= 1.17 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 50:sc= -0.712 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0372) 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+ -139:sc= -1.85! (180deg=-5.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0.0093) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 150:sc= -0.503 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0.402 (180deg=0.362) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.983 -0.014 0.400 1.00 64.31 N ATOM 2 CA TYR A 6 1.750 -0.006 -0.841 1.00 14.34 C ATOM 3 C TYR A 6 1.518 -1.289 -1.633 1.00 0.31 C ATOM 4 O TYR A 6 0.846 -2.207 -1.164 1.00 63.11 O ATOM 5 CB TYR A 6 3.241 0.161 -0.542 1.00 73.35 C ATOM 6 CG TYR A 6 3.577 1.459 0.155 1.00 5.13 C ATOM 7 CD1 TYR A 6 2.987 2.654 -0.235 1.00 51.35 C ATOM 8 CD2 TYR A 6 4.486 1.490 1.206 1.00 11.13 C ATOM 9 CE1 TYR A 6 3.292 3.843 0.399 1.00 63.12 C ATOM 10 CE2 TYR A 6 4.796 2.674 1.847 1.00 23.14 C ATOM 11 CZ TYR A 6 4.197 3.848 1.440 1.00 63.53 C ATOM 12 OH TYR A 6 4.503 5.029 2.075 1.00 2.20 O ATOM 0 HA TYR A 6 1.411 0.837 -1.443 1.00 14.34 H new ATOM 0 HB2 TYR A 6 3.574 -0.671 0.078 1.00 73.35 H new ATOM 0 HB3 TYR A 6 3.799 0.105 -1.477 1.00 73.35 H new ATOM 0 HD1 TYR A 6 2.277 2.654 -1.049 1.00 51.35 H new ATOM 0 HD2 TYR A 6 4.958 0.573 1.527 1.00 11.13 H new ATOM 0 HE1 TYR A 6 2.825 4.763 0.081 1.00 63.12 H new ATOM 0 HE2 TYR A 6 5.504 2.680 2.663 1.00 23.14 H new ATOM 0 HH TYR A 6 5.156 4.859 2.786 1.00 2.20 H new ATOM 22 N GLN A 7 2.080 -1.343 -2.836 1.00 62.01 N ATOM 23 CA GLN A 7 1.935 -2.513 -3.694 1.00 43.13 C ATOM 24 C GLN A 7 2.150 -3.799 -2.903 1.00 13.34 C ATOM 25 O GLN A 7 2.379 -3.764 -1.694 1.00 10.15 O ATOM 26 CB GLN A 7 2.927 -2.445 -4.857 1.00 51.51 C ATOM 27 CG GLN A 7 2.274 -2.145 -6.197 1.00 11.54 C ATOM 28 CD GLN A 7 1.539 -0.819 -6.204 1.00 11.43 C ATOM 29 OE1 GLN A 7 2.154 0.246 -6.135 1.00 22.21 O ATOM 30 NE2 GLN A 7 0.215 -0.876 -6.287 1.00 51.23 N ATOM 0 H GLN A 7 2.639 -0.591 -3.238 1.00 62.01 H new ATOM 0 HA GLN A 7 0.920 -2.517 -4.090 1.00 43.13 H new ATOM 0 HB2 GLN A 7 3.671 -1.677 -4.645 1.00 51.51 H new ATOM 0 HB3 GLN A 7 3.459 -3.394 -4.926 1.00 51.51 H new ATOM 0 HG2 GLN A 7 3.037 -2.137 -6.975 1.00 11.54 H new ATOM 0 HG3 GLN A 7 1.576 -2.945 -6.444 1.00 11.54 H new ATOM 0 HE21 GLN A 7 -0.254 -1.780 -6.342 1.00 51.23 H new ATOM 0 HE22 GLN A 7 -0.333 -0.016 -6.295 1.00 51.23 H new ATOM 39 N ASP A 8 2.073 -4.932 -3.592 1.00 43.41 N ATOM 40 CA ASP A 8 2.260 -6.229 -2.953 1.00 72.35 C ATOM 41 C ASP A 8 3.250 -6.129 -1.797 1.00 51.24 C ATOM 42 O ASP A 8 3.067 -6.758 -0.756 1.00 25.32 O ATOM 43 CB ASP A 8 2.750 -7.258 -3.974 1.00 5.24 C ATOM 44 CG ASP A 8 1.617 -7.856 -4.784 1.00 22.14 C ATOM 45 OD1 ASP A 8 0.457 -7.444 -4.575 1.00 54.04 O ATOM 46 OD2 ASP A 8 1.891 -8.736 -5.626 1.00 52.12 O ATOM 0 H ASP A 8 1.882 -4.978 -4.593 1.00 43.41 H new ATOM 0 HA ASP A 8 1.298 -6.552 -2.555 1.00 72.35 H new ATOM 0 HB2 ASP A 8 3.464 -6.785 -4.648 1.00 5.24 H new ATOM 0 HB3 ASP A 8 3.282 -8.055 -3.455 1.00 5.24 H new ATOM 51 N GLN A 9 4.298 -5.334 -1.990 1.00 31.32 N ATOM 52 CA GLN A 9 5.318 -5.153 -0.963 1.00 75.43 C ATOM 53 C GLN A 9 4.680 -4.957 0.408 1.00 3.03 C ATOM 54 O GLN A 9 5.069 -5.603 1.381 1.00 14.31 O ATOM 55 CB GLN A 9 6.206 -3.955 -1.302 1.00 72.24 C ATOM 56 CG GLN A 9 7.200 -4.231 -2.419 1.00 73.41 C ATOM 57 CD GLN A 9 8.524 -4.761 -1.904 1.00 75.03 C ATOM 58 OE1 GLN A 9 9.123 -4.188 -0.994 1.00 40.22 O ATOM 59 NE2 GLN A 9 8.987 -5.861 -2.485 1.00 65.23 N ATOM 0 H GLN A 9 4.463 -4.806 -2.847 1.00 31.32 H new ATOM 0 HA GLN A 9 5.932 -6.053 -0.933 1.00 75.43 H new ATOM 0 HB2 GLN A 9 5.574 -3.115 -1.589 1.00 72.24 H new ATOM 0 HB3 GLN A 9 6.751 -3.653 -0.408 1.00 72.24 H new ATOM 0 HG2 GLN A 9 6.769 -4.953 -3.113 1.00 73.41 H new ATOM 0 HG3 GLN A 9 7.374 -3.313 -2.980 1.00 73.41 H new ATOM 0 HE21 GLN A 9 8.457 -6.303 -3.236 1.00 65.23 H new ATOM 0 HE22 GLN A 9 9.873 -6.264 -2.180 1.00 65.23 H new ATOM 68 N GLU A 10 3.701 -4.061 0.477 1.00 35.15 N ATOM 69 CA GLU A 10 3.011 -3.780 1.731 1.00 11.41 C ATOM 70 C GLU A 10 2.043 -4.905 2.084 1.00 31.13 C ATOM 71 O GLU A 10 1.855 -5.230 3.256 1.00 14.22 O ATOM 72 CB GLU A 10 2.255 -2.453 1.636 1.00 13.21 C ATOM 73 CG GLU A 10 2.802 -1.373 2.554 1.00 20.14 C ATOM 74 CD GLU A 10 1.864 -1.053 3.702 1.00 23.24 C ATOM 75 OE1 GLU A 10 1.654 -1.935 4.561 1.00 61.10 O ATOM 76 OE2 GLU A 10 1.341 0.080 3.742 1.00 52.13 O ATOM 0 H GLU A 10 3.368 -3.518 -0.319 1.00 35.15 H new ATOM 0 HA GLU A 10 3.760 -3.708 2.520 1.00 11.41 H new ATOM 0 HB2 GLU A 10 2.293 -2.096 0.607 1.00 13.21 H new ATOM 0 HB3 GLU A 10 1.206 -2.625 1.876 1.00 13.21 H new ATOM 0 HG2 GLU A 10 3.764 -1.694 2.954 1.00 20.14 H new ATOM 0 HG3 GLU A 10 2.984 -0.467 1.975 1.00 20.14 H new ATOM 83 N GLN A 11 1.432 -5.495 1.062 1.00 63.13 N ATOM 84 CA GLN A 11 0.483 -6.583 1.264 1.00 31.12 C ATOM 85 C GLN A 11 1.169 -7.797 1.882 1.00 45.21 C ATOM 86 O GLN A 11 0.548 -8.569 2.611 1.00 33.43 O ATOM 87 CB GLN A 11 -0.170 -6.972 -0.063 1.00 62.34 C ATOM 88 CG GLN A 11 -0.791 -5.798 -0.803 1.00 63.43 C ATOM 89 CD GLN A 11 -1.739 -6.237 -1.902 1.00 12.44 C ATOM 90 OE1 GLN A 11 -2.047 -7.421 -2.036 1.00 65.42 O ATOM 91 NE2 GLN A 11 -2.209 -5.281 -2.694 1.00 54.34 N ATOM 0 H GLN A 11 1.577 -5.238 0.086 1.00 63.13 H new ATOM 0 HA GLN A 11 -0.288 -6.235 1.952 1.00 31.12 H new ATOM 0 HB2 GLN A 11 0.578 -7.440 -0.703 1.00 62.34 H new ATOM 0 HB3 GLN A 11 -0.940 -7.720 0.126 1.00 62.34 H new ATOM 0 HG2 GLN A 11 -1.329 -5.170 -0.093 1.00 63.43 H new ATOM 0 HG3 GLN A 11 0.001 -5.185 -1.234 1.00 63.43 H new ATOM 0 HE21 GLN A 11 -1.927 -4.312 -2.547 1.00 54.34 H new ATOM 0 HE22 GLN A 11 -2.852 -5.515 -3.450 1.00 54.34 H new ATOM 100 N ARG A 12 2.455 -7.958 1.585 1.00 73.54 N ATOM 101 CA ARG A 12 3.225 -9.079 2.110 1.00 62.34 C ATOM 102 C ARG A 12 3.591 -8.849 3.573 1.00 63.41 C ATOM 103 O ARG A 12 3.270 -9.664 4.439 1.00 71.04 O ATOM 104 CB ARG A 12 4.495 -9.285 1.281 1.00 32.34 C ATOM 105 CG ARG A 12 4.250 -9.989 -0.043 1.00 63.24 C ATOM 106 CD ARG A 12 5.546 -10.512 -0.644 1.00 31.12 C ATOM 107 NE ARG A 12 5.305 -11.382 -1.792 1.00 42.42 N ATOM 108 CZ ARG A 12 4.895 -12.641 -1.687 1.00 45.25 C ATOM 109 NH1 ARG A 12 4.682 -13.175 -0.493 1.00 15.32 N ATOM 110 NH2 ARG A 12 4.698 -13.369 -2.779 1.00 44.33 N ATOM 0 H ARG A 12 2.985 -7.327 0.984 1.00 73.54 H new ATOM 0 HA ARG A 12 2.607 -9.975 2.045 1.00 62.34 H new ATOM 0 HB2 ARG A 12 4.954 -8.315 1.088 1.00 32.34 H new ATOM 0 HB3 ARG A 12 5.210 -9.865 1.865 1.00 32.34 H new ATOM 0 HG2 ARG A 12 3.557 -10.817 0.107 1.00 63.24 H new ATOM 0 HG3 ARG A 12 3.776 -9.299 -0.741 1.00 63.24 H new ATOM 0 HD2 ARG A 12 6.169 -9.671 -0.951 1.00 31.12 H new ATOM 0 HD3 ARG A 12 6.103 -11.060 0.116 1.00 31.12 H new ATOM 0 HE ARG A 12 5.460 -11.002 -2.726 1.00 42.42 H new ATOM 0 HH11 ARG A 12 4.833 -12.619 0.349 1.00 15.32 H new ATOM 0 HH12 ARG A 12 4.367 -14.142 -0.416 1.00 15.32 H new ATOM 0 HH21 ARG A 12 4.861 -12.962 -3.700 1.00 44.33 H new ATOM 0 HH22 ARG A 12 4.383 -14.336 -2.697 1.00 44.33 H new ATOM 124 N ILE A 13 4.265 -7.736 3.841 1.00 61.01 N ATOM 125 CA ILE A 13 4.674 -7.399 5.199 1.00 61.41 C ATOM 126 C ILE A 13 3.467 -7.283 6.124 1.00 61.24 C ATOM 127 O ILE A 13 3.536 -7.641 7.300 1.00 32.22 O ATOM 128 CB ILE A 13 5.465 -6.079 5.237 1.00 2.54 C ATOM 129 CG1 ILE A 13 4.641 -4.947 4.620 1.00 40.11 C ATOM 130 CG2 ILE A 13 6.791 -6.234 4.508 1.00 4.04 C ATOM 131 CD1 ILE A 13 5.371 -3.623 4.574 1.00 2.15 C ATOM 0 H ILE A 13 4.540 -7.052 3.136 1.00 61.01 H new ATOM 0 HA ILE A 13 5.317 -8.208 5.545 1.00 61.41 H new ATOM 0 HB ILE A 13 5.672 -5.827 6.277 1.00 2.54 H new ATOM 0 HG12 ILE A 13 4.353 -5.229 3.607 1.00 40.11 H new ATOM 0 HG13 ILE A 13 3.721 -4.825 5.191 1.00 40.11 H new ATOM 0 HG21 ILE A 13 7.338 -5.292 4.544 1.00 4.04 H new ATOM 0 HG22 ILE A 13 7.381 -7.015 4.988 1.00 4.04 H new ATOM 0 HG23 ILE A 13 6.605 -6.506 3.469 1.00 4.04 H new ATOM 0 HD11 ILE A 13 4.726 -2.868 4.124 1.00 2.15 H new ATOM 0 HD12 ILE A 13 5.636 -3.318 5.586 1.00 2.15 H new ATOM 0 HD13 ILE A 13 6.277 -3.728 3.978 1.00 2.15 H new ATOM 143 N LEU A 14 2.361 -6.782 5.584 1.00 65.41 N ATOM 144 CA LEU A 14 1.137 -6.621 6.360 1.00 52.52 C ATOM 145 C LEU A 14 0.581 -7.975 6.788 1.00 14.33 C ATOM 146 O LEU A 14 0.256 -8.183 7.958 1.00 62.35 O ATOM 147 CB LEU A 14 0.089 -5.861 5.544 1.00 62.22 C ATOM 148 CG LEU A 14 0.186 -4.336 5.581 1.00 41.33 C ATOM 149 CD1 LEU A 14 -0.717 -3.718 4.524 1.00 5.21 C ATOM 150 CD2 LEU A 14 -0.173 -3.812 6.964 1.00 45.23 C ATOM 0 H LEU A 14 2.287 -6.481 4.612 1.00 65.41 H new ATOM 0 HA LEU A 14 1.377 -6.048 7.256 1.00 52.52 H new ATOM 0 HB2 LEU A 14 0.162 -6.185 4.506 1.00 62.22 H new ATOM 0 HB3 LEU A 14 -0.900 -6.151 5.900 1.00 62.22 H new ATOM 0 HG LEU A 14 1.215 -4.051 5.362 1.00 41.33 H new ATOM 0 HD11 LEU A 14 -0.635 -2.632 4.565 1.00 5.21 H new ATOM 0 HD12 LEU A 14 -0.414 -4.068 3.537 1.00 5.21 H new ATOM 0 HD13 LEU A 14 -1.750 -4.011 4.711 1.00 5.21 H new ATOM 0 HD21 LEU A 14 -0.098 -2.725 6.972 1.00 45.23 H new ATOM 0 HD22 LEU A 14 -1.192 -4.108 7.212 1.00 45.23 H new ATOM 0 HD23 LEU A 14 0.514 -4.228 7.700 1.00 45.23 H new ATOM 162 N LYS A 15 0.475 -8.894 5.834 1.00 11.44 N ATOM 163 CA LYS A 15 -0.038 -10.230 6.112 1.00 13.21 C ATOM 164 C LYS A 15 1.007 -11.075 6.833 1.00 70.33 C ATOM 165 O LYS A 15 0.689 -12.117 7.406 1.00 21.33 O ATOM 166 CB LYS A 15 -0.458 -10.918 4.811 1.00 23.01 C ATOM 167 CG LYS A 15 -1.774 -10.408 4.250 1.00 20.13 C ATOM 168 CD LYS A 15 -2.962 -11.091 4.907 1.00 1.45 C ATOM 169 CE LYS A 15 -4.267 -10.388 4.567 1.00 10.41 C ATOM 170 NZ LYS A 15 -4.772 -10.777 3.221 1.00 10.33 N ATOM 0 H LYS A 15 0.738 -8.738 4.861 1.00 11.44 H new ATOM 0 HA LYS A 15 -0.909 -10.130 6.760 1.00 13.21 H new ATOM 0 HB2 LYS A 15 0.324 -10.776 4.066 1.00 23.01 H new ATOM 0 HB3 LYS A 15 -0.539 -11.991 4.987 1.00 23.01 H new ATOM 0 HG2 LYS A 15 -1.842 -9.331 4.402 1.00 20.13 H new ATOM 0 HG3 LYS A 15 -1.803 -10.580 3.174 1.00 20.13 H new ATOM 0 HD2 LYS A 15 -3.012 -12.130 4.581 1.00 1.45 H new ATOM 0 HD3 LYS A 15 -2.824 -11.102 5.988 1.00 1.45 H new ATOM 0 HE2 LYS A 15 -5.017 -10.630 5.320 1.00 10.41 H new ATOM 0 HE3 LYS A 15 -4.118 -9.309 4.601 1.00 10.41 H new ATOM 0 HZ1 LYS A 15 -5.663 -10.277 3.026 1.00 10.33 H new ATOM 0 HZ2 LYS A 15 -4.068 -10.523 2.499 1.00 10.33 H new ATOM 0 HZ3 LYS A 15 -4.939 -11.803 3.196 1.00 10.33 H new ATOM 184 N PHE A 16 2.255 -10.619 6.800 1.00 32.34 N ATOM 185 CA PHE A 16 3.347 -11.334 7.451 1.00 11.21 C ATOM 186 C PHE A 16 3.207 -11.274 8.969 1.00 23.44 C ATOM 187 O PHE A 16 3.020 -12.298 9.628 1.00 73.52 O ATOM 188 CB PHE A 16 4.694 -10.744 7.028 1.00 31.30 C ATOM 189 CG PHE A 16 5.838 -11.175 7.901 1.00 73.31 C ATOM 190 CD1 PHE A 16 6.192 -12.512 7.992 1.00 52.33 C ATOM 191 CD2 PHE A 16 6.558 -10.244 8.631 1.00 23.02 C ATOM 192 CE1 PHE A 16 7.244 -12.912 8.794 1.00 41.22 C ATOM 193 CE2 PHE A 16 7.612 -10.638 9.435 1.00 74.15 C ATOM 194 CZ PHE A 16 7.954 -11.974 9.517 1.00 42.41 C ATOM 0 H PHE A 16 2.535 -9.758 6.330 1.00 32.34 H new ATOM 0 HA PHE A 16 3.302 -12.378 7.140 1.00 11.21 H new ATOM 0 HB2 PHE A 16 4.903 -11.036 5.999 1.00 31.30 H new ATOM 0 HB3 PHE A 16 4.626 -9.656 7.043 1.00 31.30 H new ATOM 0 HD1 PHE A 16 5.639 -13.250 7.430 1.00 52.33 H new ATOM 0 HD2 PHE A 16 6.293 -9.199 8.572 1.00 23.02 H new ATOM 0 HE1 PHE A 16 7.510 -13.957 8.855 1.00 41.22 H new ATOM 0 HE2 PHE A 16 8.167 -9.902 9.998 1.00 74.15 H new ATOM 0 HZ PHE A 16 8.775 -12.284 10.146 1.00 42.41 H new ATOM 204 N LEU A 17 3.301 -10.069 9.519 1.00 12.22 N ATOM 205 CA LEU A 17 3.186 -9.874 10.960 1.00 33.04 C ATOM 206 C LEU A 17 1.752 -10.102 11.428 1.00 52.11 C ATOM 207 O LEU A 17 1.502 -10.313 12.614 1.00 23.31 O ATOM 208 CB LEU A 17 3.641 -8.464 11.342 1.00 31.54 C ATOM 209 CG LEU A 17 2.543 -7.403 11.420 1.00 43.30 C ATOM 210 CD1 LEU A 17 1.699 -7.414 10.155 1.00 20.31 C ATOM 211 CD2 LEU A 17 1.672 -7.625 12.647 1.00 34.43 C ATOM 0 H LEU A 17 3.457 -9.212 8.989 1.00 12.22 H new ATOM 0 HA LEU A 17 3.830 -10.603 11.453 1.00 33.04 H new ATOM 0 HB2 LEU A 17 4.139 -8.514 12.310 1.00 31.54 H new ATOM 0 HB3 LEU A 17 4.386 -8.135 10.617 1.00 31.54 H new ATOM 0 HG LEU A 17 3.016 -6.425 11.508 1.00 43.30 H new ATOM 0 HD11 LEU A 17 0.923 -6.652 10.229 1.00 20.31 H new ATOM 0 HD12 LEU A 17 2.332 -7.204 9.293 1.00 20.31 H new ATOM 0 HD13 LEU A 17 1.236 -8.393 10.035 1.00 20.31 H new ATOM 0 HD21 LEU A 17 0.896 -6.860 12.686 1.00 34.43 H new ATOM 0 HD22 LEU A 17 1.208 -8.610 12.591 1.00 34.43 H new ATOM 0 HD23 LEU A 17 2.286 -7.564 13.545 1.00 34.43 H new ATOM 223 N GLU A 18 0.814 -10.059 10.487 1.00 60.14 N ATOM 224 CA GLU A 18 -0.595 -10.262 10.803 1.00 22.51 C ATOM 225 C GLU A 18 -0.868 -11.722 11.157 1.00 41.50 C ATOM 226 O GLU A 18 -1.625 -12.015 12.081 1.00 13.22 O ATOM 227 CB GLU A 18 -1.472 -9.840 9.623 1.00 42.14 C ATOM 228 CG GLU A 18 -1.977 -8.410 9.721 1.00 63.15 C ATOM 229 CD GLU A 18 -3.417 -8.331 10.188 1.00 52.14 C ATOM 230 OE1 GLU A 18 -3.893 -9.302 10.812 1.00 12.53 O ATOM 231 OE2 GLU A 18 -4.068 -7.297 9.928 1.00 32.11 O ATOM 0 H GLU A 18 1.004 -9.885 9.500 1.00 60.14 H new ATOM 0 HA GLU A 18 -0.840 -9.644 11.667 1.00 22.51 H new ATOM 0 HB2 GLU A 18 -0.904 -9.953 8.700 1.00 42.14 H new ATOM 0 HB3 GLU A 18 -2.326 -10.514 9.556 1.00 42.14 H new ATOM 0 HG2 GLU A 18 -1.344 -7.852 10.411 1.00 63.15 H new ATOM 0 HG3 GLU A 18 -1.888 -7.930 8.747 1.00 63.15 H new ATOM 238 N GLU A 19 -0.245 -12.631 10.414 1.00 72.21 N ATOM 239 CA GLU A 19 -0.422 -14.059 10.648 1.00 34.45 C ATOM 240 C GLU A 19 0.039 -14.442 12.052 1.00 51.40 C ATOM 241 O GLU A 19 -0.706 -15.056 12.817 1.00 40.01 O ATOM 242 CB GLU A 19 0.352 -14.870 9.607 1.00 41.21 C ATOM 243 CG GLU A 19 0.301 -16.370 9.842 1.00 23.03 C ATOM 244 CD GLU A 19 0.634 -17.168 8.596 1.00 2.43 C ATOM 245 OE1 GLU A 19 1.836 -17.316 8.291 1.00 2.11 O ATOM 246 OE2 GLU A 19 -0.306 -17.643 7.927 1.00 73.04 O ATOM 0 H GLU A 19 0.386 -12.404 9.646 1.00 72.21 H new ATOM 0 HA GLU A 19 -1.484 -14.286 10.558 1.00 34.45 H new ATOM 0 HB2 GLU A 19 -0.050 -14.652 8.617 1.00 41.21 H new ATOM 0 HB3 GLU A 19 1.393 -14.546 9.607 1.00 41.21 H new ATOM 0 HG2 GLU A 19 1.000 -16.634 10.635 1.00 23.03 H new ATOM 0 HG3 GLU A 19 -0.694 -16.646 10.190 1.00 23.03 H new ATOM 253 N LEU A 20 1.272 -14.074 12.383 1.00 33.45 N ATOM 254 CA LEU A 20 1.834 -14.379 13.695 1.00 41.43 C ATOM 255 C LEU A 20 1.090 -13.627 14.794 1.00 43.11 C ATOM 256 O LEU A 20 0.916 -14.136 15.900 1.00 24.32 O ATOM 257 CB LEU A 20 3.320 -14.018 13.730 1.00 2.22 C ATOM 258 CG LEU A 20 3.647 -12.537 13.923 1.00 11.51 C ATOM 259 CD1 LEU A 20 3.767 -12.205 15.402 1.00 12.44 C ATOM 260 CD2 LEU A 20 4.928 -12.173 13.187 1.00 4.24 C ATOM 0 H LEU A 20 1.901 -13.565 11.762 1.00 33.45 H new ATOM 0 HA LEU A 20 1.721 -15.449 13.872 1.00 41.43 H new ATOM 0 HB2 LEU A 20 3.791 -14.581 14.535 1.00 2.22 H new ATOM 0 HB3 LEU A 20 3.776 -14.352 12.798 1.00 2.22 H new ATOM 0 HG LEU A 20 2.831 -11.947 13.505 1.00 11.51 H new ATOM 0 HD11 LEU A 20 4.000 -11.147 15.520 1.00 12.44 H new ATOM 0 HD12 LEU A 20 2.824 -12.427 15.902 1.00 12.44 H new ATOM 0 HD13 LEU A 20 4.563 -12.803 15.846 1.00 12.44 H new ATOM 0 HD21 LEU A 20 5.145 -11.115 13.336 1.00 4.24 H new ATOM 0 HD22 LEU A 20 5.753 -12.771 13.575 1.00 4.24 H new ATOM 0 HD23 LEU A 20 4.805 -12.372 12.122 1.00 4.24 H new ATOM 272 N GLY A 21 0.651 -12.412 14.480 1.00 0.31 N ATOM 273 CA GLY A 21 -0.071 -11.610 15.451 1.00 71.32 C ATOM 274 C GLY A 21 -0.101 -10.140 15.082 1.00 74.44 C ATOM 275 O GLY A 21 0.942 -9.493 15.000 1.00 30.25 O ATOM 0 H GLY A 21 0.782 -11.969 13.571 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -1.092 -11.981 15.536 1.00 71.32 H new ATOM 0 HA3 GLY A 21 0.393 -11.726 16.430 1.00 71.32 H new ATOM 279 N GLU A 22 -1.301 -9.613 14.856 1.00 64.13 N ATOM 280 CA GLU A 22 -1.461 -8.211 14.490 1.00 11.43 C ATOM 281 C GLU A 22 -1.249 -7.305 15.700 1.00 24.43 C ATOM 282 O GLU A 22 -2.025 -7.333 16.654 1.00 22.53 O ATOM 283 CB GLU A 22 -2.851 -7.971 13.898 1.00 15.31 C ATOM 284 CG GLU A 22 -3.984 -8.453 14.789 1.00 61.22 C ATOM 285 CD GLU A 22 -4.949 -9.369 14.061 1.00 22.22 C ATOM 286 OE1 GLU A 22 -5.664 -8.883 13.160 1.00 21.33 O ATOM 287 OE2 GLU A 22 -4.988 -10.573 14.393 1.00 0.41 O ATOM 0 H GLU A 22 -2.175 -10.135 14.920 1.00 64.13 H new ATOM 0 HA GLU A 22 -0.708 -7.970 13.740 1.00 11.43 H new ATOM 0 HB2 GLU A 22 -2.977 -6.905 13.709 1.00 15.31 H new ATOM 0 HB3 GLU A 22 -2.918 -8.476 12.934 1.00 15.31 H new ATOM 0 HG2 GLU A 22 -3.567 -8.979 15.648 1.00 61.22 H new ATOM 0 HG3 GLU A 22 -4.528 -7.592 15.176 1.00 61.22 H new ATOM 294 N GLY A 23 -0.189 -6.503 15.653 1.00 55.31 N ATOM 295 CA GLY A 23 0.107 -5.601 16.750 1.00 5.15 C ATOM 296 C GLY A 23 1.138 -6.170 17.706 1.00 50.34 C ATOM 297 O GLY A 23 1.329 -5.651 18.806 1.00 70.41 O ATOM 0 H GLY A 23 0.469 -6.462 14.875 1.00 55.31 H new ATOM 0 HA2 GLY A 23 0.470 -4.654 16.350 1.00 5.15 H new ATOM 0 HA3 GLY A 23 -0.811 -5.385 17.297 1.00 5.15 H new ATOM 301 N LYS A 24 1.804 -7.240 17.286 1.00 32.31 N ATOM 302 CA LYS A 24 2.821 -7.882 18.111 1.00 15.53 C ATOM 303 C LYS A 24 4.220 -7.464 17.672 1.00 24.42 C ATOM 304 O LYS A 24 4.381 -6.547 16.868 1.00 1.43 O ATOM 305 CB LYS A 24 2.683 -9.404 18.035 1.00 0.21 C ATOM 306 CG LYS A 24 1.249 -9.892 18.151 1.00 43.40 C ATOM 307 CD LYS A 24 0.631 -9.494 19.481 1.00 54.35 C ATOM 308 CE LYS A 24 -0.361 -8.352 19.315 1.00 70.44 C ATOM 309 NZ LYS A 24 -1.581 -8.552 20.146 1.00 45.14 N ATOM 0 H LYS A 24 1.658 -7.681 16.378 1.00 32.31 H new ATOM 0 HA LYS A 24 2.672 -7.562 19.142 1.00 15.53 H new ATOM 0 HB2 LYS A 24 3.101 -9.751 17.090 1.00 0.21 H new ATOM 0 HB3 LYS A 24 3.277 -9.854 18.831 1.00 0.21 H new ATOM 0 HG2 LYS A 24 0.656 -9.479 17.335 1.00 43.40 H new ATOM 0 HG3 LYS A 24 1.223 -10.977 18.047 1.00 43.40 H new ATOM 0 HD2 LYS A 24 0.127 -10.354 19.921 1.00 54.35 H new ATOM 0 HD3 LYS A 24 1.418 -9.196 20.174 1.00 54.35 H new ATOM 0 HE2 LYS A 24 0.117 -7.412 19.592 1.00 70.44 H new ATOM 0 HE3 LYS A 24 -0.646 -8.268 18.266 1.00 70.44 H new ATOM 0 HZ1 LYS A 24 -2.232 -7.753 20.005 1.00 45.14 H new ATOM 0 HZ2 LYS A 24 -2.052 -9.436 19.865 1.00 45.14 H new ATOM 0 HZ3 LYS A 24 -1.313 -8.607 21.149 1.00 45.14 H new ATOM 323 N ALA A 25 5.230 -8.145 18.204 1.00 21.41 N ATOM 324 CA ALA A 25 6.616 -7.847 17.864 1.00 72.50 C ATOM 325 C ALA A 25 7.203 -8.925 16.958 1.00 13.14 C ATOM 326 O ALA A 25 6.640 -10.012 16.823 1.00 54.22 O ATOM 327 CB ALA A 25 7.451 -7.705 19.128 1.00 33.40 C ATOM 0 H ALA A 25 5.114 -8.907 18.872 1.00 21.41 H new ATOM 0 HA ALA A 25 6.636 -6.902 17.321 1.00 72.50 H new ATOM 0 HB1 ALA A 25 8.484 -7.483 18.859 1.00 33.40 H new ATOM 0 HB2 ALA A 25 7.052 -6.895 19.738 1.00 33.40 H new ATOM 0 HB3 ALA A 25 7.416 -8.636 19.694 1.00 33.40 H new ATOM 333 N THR A 26 8.338 -8.617 16.339 1.00 51.03 N ATOM 334 CA THR A 26 9.000 -9.558 15.444 1.00 20.03 C ATOM 335 C THR A 26 10.498 -9.285 15.370 1.00 30.23 C ATOM 336 O THR A 26 10.993 -8.318 15.949 1.00 3.34 O ATOM 337 CB THR A 26 8.407 -9.495 14.024 1.00 65.11 C ATOM 338 OG1 THR A 26 8.916 -10.574 13.232 1.00 24.45 O ATOM 339 CG2 THR A 26 8.741 -8.169 13.357 1.00 71.22 C ATOM 0 H THR A 26 8.818 -7.723 16.441 1.00 51.03 H new ATOM 0 HA THR A 26 8.835 -10.554 15.854 1.00 20.03 H new ATOM 0 HB THR A 26 7.323 -9.582 14.102 1.00 65.11 H new ATOM 0 HG1 THR A 26 8.533 -10.528 12.331 1.00 24.45 H new ATOM 0 HG21 THR A 26 8.312 -8.147 12.355 1.00 71.22 H new ATOM 0 HG22 THR A 26 8.328 -7.351 13.947 1.00 71.22 H new ATOM 0 HG23 THR A 26 9.823 -8.058 13.291 1.00 71.22 H new ATOM 347 N THR A 27 11.217 -10.144 14.653 1.00 14.33 N ATOM 348 CA THR A 27 12.659 -9.995 14.504 1.00 73.31 C ATOM 349 C THR A 27 13.060 -9.975 13.033 1.00 11.14 C ATOM 350 O THR A 27 12.273 -10.341 12.161 1.00 64.24 O ATOM 351 CB THR A 27 13.417 -11.132 15.215 1.00 1.45 C ATOM 352 OG1 THR A 27 12.750 -12.379 14.994 1.00 21.34 O ATOM 353 CG2 THR A 27 13.518 -10.862 16.709 1.00 30.43 C ATOM 0 H THR A 27 10.824 -10.950 14.167 1.00 14.33 H new ATOM 0 HA THR A 27 12.928 -9.045 14.965 1.00 73.31 H new ATOM 0 HB THR A 27 14.424 -11.182 14.802 1.00 1.45 H new ATOM 0 HG1 THR A 27 13.239 -13.097 15.448 1.00 21.34 H new ATOM 0 HG21 THR A 27 14.057 -11.678 17.191 1.00 30.43 H new ATOM 0 HG22 THR A 27 14.052 -9.926 16.874 1.00 30.43 H new ATOM 0 HG23 THR A 27 12.517 -10.788 17.134 1.00 30.43 H new ATOM 361 N ALA A 28 14.289 -9.545 12.766 1.00 73.21 N ATOM 362 CA ALA A 28 14.795 -9.480 11.401 1.00 51.04 C ATOM 363 C ALA A 28 14.956 -10.876 10.808 1.00 51.44 C ATOM 364 O ALA A 28 14.564 -11.125 9.667 1.00 65.40 O ATOM 365 CB ALA A 28 16.120 -8.733 11.364 1.00 11.11 C ATOM 0 H ALA A 28 14.952 -9.237 13.477 1.00 73.21 H new ATOM 0 HA ALA A 28 14.068 -8.938 10.796 1.00 51.04 H new ATOM 0 HB1 ALA A 28 16.486 -8.692 10.338 1.00 11.11 H new ATOM 0 HB2 ALA A 28 15.977 -7.720 11.739 1.00 11.11 H new ATOM 0 HB3 ALA A 28 16.848 -9.251 11.989 1.00 11.11 H new ATOM 371 N HIS A 29 15.535 -11.782 11.588 1.00 31.34 N ATOM 372 CA HIS A 29 15.748 -13.154 11.140 1.00 54.34 C ATOM 373 C HIS A 29 14.451 -13.760 10.611 1.00 11.14 C ATOM 374 O HIS A 29 14.439 -14.412 9.567 1.00 24.34 O ATOM 375 CB HIS A 29 16.295 -14.008 12.284 1.00 53.04 C ATOM 376 CG HIS A 29 17.744 -13.764 12.573 1.00 31.21 C ATOM 377 ND1 HIS A 29 18.192 -13.206 13.751 1.00 4.53 N ATOM 378 CD2 HIS A 29 18.848 -14.008 11.830 1.00 64.33 C ATOM 379 CE1 HIS A 29 19.510 -13.115 13.719 1.00 11.14 C ATOM 380 NE2 HIS A 29 19.933 -13.596 12.564 1.00 11.22 N ATOM 0 H HIS A 29 15.865 -11.591 12.534 1.00 31.34 H new ATOM 0 HA HIS A 29 16.477 -13.137 10.330 1.00 54.34 H new ATOM 0 HB2 HIS A 29 15.715 -13.809 13.185 1.00 53.04 H new ATOM 0 HB3 HIS A 29 16.154 -15.061 12.040 1.00 53.04 H new ATOM 0 HD2 HIS A 29 18.872 -14.446 10.843 1.00 64.33 H new ATOM 0 HE1 HIS A 29 20.135 -12.715 14.504 1.00 11.14 H new ATOM 0 HE2 HIS A 29 20.907 -13.652 12.266 1.00 11.22 H new ATOM 388 N ASP A 30 13.362 -13.541 11.339 1.00 14.35 N ATOM 389 CA ASP A 30 12.060 -14.065 10.944 1.00 15.02 C ATOM 390 C ASP A 30 11.584 -13.419 9.647 1.00 45.43 C ATOM 391 O ASP A 30 11.017 -14.085 8.780 1.00 12.11 O ATOM 392 CB ASP A 30 11.033 -13.828 12.053 1.00 54.34 C ATOM 393 CG ASP A 30 10.533 -15.121 12.665 1.00 31.24 C ATOM 394 OD1 ASP A 30 11.366 -16.013 12.929 1.00 70.35 O ATOM 395 OD2 ASP A 30 9.309 -15.242 12.881 1.00 15.11 O ATOM 0 H ASP A 30 13.355 -13.004 12.206 1.00 14.35 H new ATOM 0 HA ASP A 30 12.163 -15.137 10.778 1.00 15.02 H new ATOM 0 HB2 ASP A 30 11.480 -13.210 12.832 1.00 54.34 H new ATOM 0 HB3 ASP A 30 10.188 -13.270 11.649 1.00 54.34 H new ATOM 400 N LEU A 31 11.819 -12.117 9.520 1.00 61.23 N ATOM 401 CA LEU A 31 11.414 -11.380 8.328 1.00 3.50 C ATOM 402 C LEU A 31 12.138 -11.903 7.092 1.00 43.24 C ATOM 403 O LEU A 31 11.509 -12.366 6.141 1.00 35.40 O ATOM 404 CB LEU A 31 11.699 -9.887 8.507 1.00 64.34 C ATOM 405 CG LEU A 31 10.697 -9.110 9.360 1.00 54.21 C ATOM 406 CD1 LEU A 31 11.417 -8.111 10.253 1.00 73.31 C ATOM 407 CD2 LEU A 31 9.680 -8.402 8.476 1.00 4.50 C ATOM 0 H LEU A 31 12.287 -11.551 10.227 1.00 61.23 H new ATOM 0 HA LEU A 31 10.343 -11.525 8.187 1.00 3.50 H new ATOM 0 HB2 LEU A 31 12.687 -9.777 8.953 1.00 64.34 H new ATOM 0 HB3 LEU A 31 11.741 -9.425 7.521 1.00 64.34 H new ATOM 0 HG LEU A 31 10.165 -9.817 9.996 1.00 54.21 H new ATOM 0 HD11 LEU A 31 10.687 -7.567 10.853 1.00 73.31 H new ATOM 0 HD12 LEU A 31 12.105 -8.641 10.911 1.00 73.31 H new ATOM 0 HD13 LEU A 31 11.975 -7.408 9.635 1.00 73.31 H new ATOM 0 HD21 LEU A 31 8.974 -7.854 9.100 1.00 4.50 H new ATOM 0 HD22 LEU A 31 10.195 -7.706 7.814 1.00 4.50 H new ATOM 0 HD23 LEU A 31 9.141 -9.138 7.880 1.00 4.50 H new ATOM 419 N SER A 32 13.465 -11.827 7.113 1.00 42.13 N ATOM 420 CA SER A 32 14.275 -12.291 5.993 1.00 63.43 C ATOM 421 C SER A 32 14.059 -13.782 5.747 1.00 51.50 C ATOM 422 O SER A 32 14.358 -14.294 4.669 1.00 34.23 O ATOM 423 CB SER A 32 15.757 -12.017 6.259 1.00 54.42 C ATOM 424 OG SER A 32 16.515 -12.112 5.066 1.00 63.42 O ATOM 0 H SER A 32 14.002 -11.448 7.893 1.00 42.13 H new ATOM 0 HA SER A 32 13.966 -11.744 5.102 1.00 63.43 H new ATOM 0 HB2 SER A 32 15.875 -11.023 6.690 1.00 54.42 H new ATOM 0 HB3 SER A 32 16.136 -12.729 6.992 1.00 54.42 H new ATOM 0 HG SER A 32 15.977 -11.796 4.310 1.00 63.42 H new ATOM 430 N GLY A 33 13.537 -14.472 6.756 1.00 13.24 N ATOM 431 CA GLY A 33 13.289 -15.896 6.631 1.00 30.22 C ATOM 432 C GLY A 33 11.965 -16.197 5.958 1.00 73.42 C ATOM 433 O GLY A 33 11.908 -16.967 4.998 1.00 0.51 O ATOM 0 H GLY A 33 13.281 -14.070 7.658 1.00 13.24 H new ATOM 0 HA2 GLY A 33 14.096 -16.353 6.059 1.00 30.22 H new ATOM 0 HA3 GLY A 33 13.302 -16.352 7.621 1.00 30.22 H new ATOM 437 N LYS A 34 10.895 -15.591 6.462 1.00 21.40 N ATOM 438 CA LYS A 34 9.564 -15.798 5.904 1.00 30.32 C ATOM 439 C LYS A 34 9.398 -15.033 4.595 1.00 72.30 C ATOM 440 O LYS A 34 9.054 -15.614 3.564 1.00 1.33 O ATOM 441 CB LYS A 34 8.495 -15.355 6.905 1.00 34.32 C ATOM 442 CG LYS A 34 8.186 -16.397 7.966 1.00 20.25 C ATOM 443 CD LYS A 34 7.453 -17.591 7.379 1.00 73.30 C ATOM 444 CE LYS A 34 7.738 -18.862 8.164 1.00 30.24 C ATOM 445 NZ LYS A 34 8.903 -19.606 7.611 1.00 23.33 N ATOM 0 H LYS A 34 10.924 -14.952 7.257 1.00 21.40 H new ATOM 0 HA LYS A 34 9.444 -16.862 5.700 1.00 30.32 H new ATOM 0 HB2 LYS A 34 8.824 -14.438 7.393 1.00 34.32 H new ATOM 0 HB3 LYS A 34 7.579 -15.117 6.364 1.00 34.32 H new ATOM 0 HG2 LYS A 34 9.114 -16.731 8.430 1.00 20.25 H new ATOM 0 HG3 LYS A 34 7.580 -15.948 8.753 1.00 20.25 H new ATOM 0 HD2 LYS A 34 6.381 -17.396 7.378 1.00 73.30 H new ATOM 0 HD3 LYS A 34 7.753 -17.729 6.340 1.00 73.30 H new ATOM 0 HE2 LYS A 34 7.930 -18.609 9.207 1.00 30.24 H new ATOM 0 HE3 LYS A 34 6.857 -19.504 8.149 1.00 30.24 H new ATOM 0 HZ1 LYS A 34 9.065 -20.466 8.174 1.00 23.33 H new ATOM 0 HZ2 LYS A 34 8.710 -19.870 6.624 1.00 23.33 H new ATOM 0 HZ3 LYS A 34 9.750 -19.003 7.649 1.00 23.33 H new ATOM 459 N LEU A 35 9.645 -13.729 4.642 1.00 51.01 N ATOM 460 CA LEU A 35 9.524 -12.884 3.459 1.00 62.45 C ATOM 461 C LEU A 35 10.488 -13.336 2.366 1.00 23.23 C ATOM 462 O LEU A 35 10.300 -13.027 1.191 1.00 52.33 O ATOM 463 CB LEU A 35 9.795 -11.423 3.821 1.00 72.10 C ATOM 464 CG LEU A 35 8.745 -10.412 3.360 1.00 51.41 C ATOM 465 CD1 LEU A 35 7.548 -10.420 4.298 1.00 74.15 C ATOM 466 CD2 LEU A 35 9.349 -9.017 3.275 1.00 35.32 C ATOM 0 H LEU A 35 9.930 -13.233 5.487 1.00 51.01 H new ATOM 0 HA LEU A 35 8.506 -12.975 3.081 1.00 62.45 H new ATOM 0 HB2 LEU A 35 9.890 -11.350 4.904 1.00 72.10 H new ATOM 0 HB3 LEU A 35 10.757 -11.137 3.396 1.00 72.10 H new ATOM 0 HG LEU A 35 8.403 -10.700 2.366 1.00 51.41 H new ATOM 0 HD11 LEU A 35 6.811 -9.694 3.954 1.00 74.15 H new ATOM 0 HD12 LEU A 35 7.101 -11.414 4.309 1.00 74.15 H new ATOM 0 HD13 LEU A 35 7.873 -10.158 5.305 1.00 74.15 H new ATOM 0 HD21 LEU A 35 8.587 -8.310 2.945 1.00 35.32 H new ATOM 0 HD22 LEU A 35 9.719 -8.720 4.256 1.00 35.32 H new ATOM 0 HD23 LEU A 35 10.174 -9.020 2.562 1.00 35.32 H new ATOM 478 N GLY A 36 11.522 -14.073 2.764 1.00 53.34 N ATOM 479 CA GLY A 36 12.499 -14.557 1.806 1.00 31.34 C ATOM 480 C GLY A 36 13.245 -13.431 1.119 1.00 60.11 C ATOM 481 O GLY A 36 13.875 -13.635 0.081 1.00 72.55 O ATOM 0 H GLY A 36 11.700 -14.343 3.731 1.00 53.34 H new ATOM 0 HA2 GLY A 36 13.213 -15.204 2.316 1.00 31.34 H new ATOM 0 HA3 GLY A 36 11.996 -15.166 1.055 1.00 31.34 H new ATOM 485 N THR A 37 13.174 -12.236 1.698 1.00 61.23 N ATOM 486 CA THR A 37 13.845 -11.072 1.133 1.00 65.50 C ATOM 487 C THR A 37 15.273 -10.954 1.654 1.00 21.53 C ATOM 488 O THR A 37 15.622 -11.492 2.706 1.00 51.42 O ATOM 489 CB THR A 37 13.084 -9.773 1.456 1.00 41.01 C ATOM 490 OG1 THR A 37 12.535 -9.842 2.777 1.00 64.12 O ATOM 491 CG2 THR A 37 11.968 -9.535 0.450 1.00 63.24 C ATOM 0 H THR A 37 12.658 -12.049 2.558 1.00 61.23 H new ATOM 0 HA THR A 37 13.866 -11.213 0.052 1.00 65.50 H new ATOM 0 HB THR A 37 13.787 -8.942 1.398 1.00 41.01 H new ATOM 0 HG1 THR A 37 13.232 -10.120 3.407 1.00 64.12 H new ATOM 0 HG21 THR A 37 11.445 -8.612 0.699 1.00 63.24 H new ATOM 0 HG22 THR A 37 12.392 -9.454 -0.551 1.00 63.24 H new ATOM 0 HG23 THR A 37 11.267 -10.369 0.480 1.00 63.24 H new ATOM 499 N PRO A 38 16.120 -10.235 0.904 1.00 43.40 N ATOM 500 CA PRO A 38 17.524 -10.028 1.272 1.00 22.31 C ATOM 501 C PRO A 38 17.677 -9.122 2.489 1.00 64.12 C ATOM 502 O PRO A 38 16.812 -8.294 2.772 1.00 13.30 O ATOM 503 CB PRO A 38 18.122 -9.362 0.030 1.00 22.15 C ATOM 504 CG PRO A 38 16.968 -8.695 -0.635 1.00 31.33 C ATOM 505 CD PRO A 38 15.773 -9.566 -0.361 1.00 71.12 C ATOM 0 HA PRO A 38 18.014 -10.961 1.550 1.00 22.31 H new ATOM 0 HB2 PRO A 38 18.894 -8.641 0.300 1.00 22.15 H new ATOM 0 HB3 PRO A 38 18.588 -10.096 -0.628 1.00 22.15 H new ATOM 0 HG2 PRO A 38 16.817 -7.690 -0.240 1.00 31.33 H new ATOM 0 HG3 PRO A 38 17.140 -8.594 -1.707 1.00 31.33 H new ATOM 0 HD2 PRO A 38 14.860 -8.978 -0.267 1.00 71.12 H new ATOM 0 HD3 PRO A 38 15.608 -10.285 -1.163 1.00 71.12 H new ATOM 513 N LYS A 39 18.784 -9.284 3.206 1.00 62.12 N ATOM 514 CA LYS A 39 19.053 -8.480 4.392 1.00 53.31 C ATOM 515 C LYS A 39 19.062 -6.993 4.050 1.00 34.15 C ATOM 516 O LYS A 39 18.833 -6.146 4.914 1.00 42.30 O ATOM 517 CB LYS A 39 20.394 -8.879 5.012 1.00 74.54 C ATOM 518 CG LYS A 39 20.665 -8.219 6.352 1.00 44.41 C ATOM 519 CD LYS A 39 22.006 -8.647 6.923 1.00 24.44 C ATOM 520 CE LYS A 39 23.136 -7.765 6.416 1.00 4.43 C ATOM 521 NZ LYS A 39 23.146 -6.436 7.088 1.00 4.32 N ATOM 0 H LYS A 39 19.510 -9.966 2.986 1.00 62.12 H new ATOM 0 HA LYS A 39 18.257 -8.665 5.113 1.00 53.31 H new ATOM 0 HB2 LYS A 39 20.419 -9.961 5.138 1.00 74.54 H new ATOM 0 HB3 LYS A 39 21.196 -8.620 4.320 1.00 74.54 H new ATOM 0 HG2 LYS A 39 20.647 -7.135 6.235 1.00 44.41 H new ATOM 0 HG3 LYS A 39 19.871 -8.477 7.053 1.00 44.41 H new ATOM 0 HD2 LYS A 39 21.970 -8.603 8.012 1.00 24.44 H new ATOM 0 HD3 LYS A 39 22.203 -9.684 6.652 1.00 24.44 H new ATOM 0 HE2 LYS A 39 24.090 -8.264 6.584 1.00 4.43 H new ATOM 0 HE3 LYS A 39 23.034 -7.627 5.340 1.00 4.43 H new ATOM 0 HZ1 LYS A 39 24.013 -5.923 6.831 1.00 4.32 H new ATOM 0 HZ2 LYS A 39 22.316 -5.887 6.784 1.00 4.32 H new ATOM 0 HZ3 LYS A 39 23.115 -6.568 8.119 1.00 4.32 H new ATOM 535 N LYS A 40 19.325 -6.683 2.786 1.00 43.33 N ATOM 536 CA LYS A 40 19.361 -5.299 2.329 1.00 42.45 C ATOM 537 C LYS A 40 17.953 -4.779 2.057 1.00 1.54 C ATOM 538 O LYS A 40 17.744 -3.575 1.914 1.00 41.54 O ATOM 539 CB LYS A 40 20.213 -5.180 1.063 1.00 73.15 C ATOM 540 CG LYS A 40 21.702 -5.074 1.339 1.00 24.22 C ATOM 541 CD LYS A 40 22.338 -6.445 1.502 1.00 41.33 C ATOM 542 CE LYS A 40 22.628 -7.088 0.154 1.00 3.13 C ATOM 543 NZ LYS A 40 23.693 -8.124 0.252 1.00 21.32 N ATOM 0 H LYS A 40 19.517 -7.372 2.059 1.00 43.33 H new ATOM 0 HA LYS A 40 19.807 -4.694 3.118 1.00 42.45 H new ATOM 0 HB2 LYS A 40 20.030 -6.048 0.430 1.00 73.15 H new ATOM 0 HB3 LYS A 40 19.893 -4.303 0.501 1.00 73.15 H new ATOM 0 HG2 LYS A 40 22.188 -4.542 0.521 1.00 24.22 H new ATOM 0 HG3 LYS A 40 21.865 -4.487 2.243 1.00 24.22 H new ATOM 0 HD2 LYS A 40 23.264 -6.353 2.069 1.00 41.33 H new ATOM 0 HD3 LYS A 40 21.674 -7.089 2.078 1.00 41.33 H new ATOM 0 HE2 LYS A 40 21.716 -7.540 -0.236 1.00 3.13 H new ATOM 0 HE3 LYS A 40 22.933 -6.320 -0.557 1.00 3.13 H new ATOM 0 HZ1 LYS A 40 23.862 -8.538 -0.687 1.00 21.32 H new ATOM 0 HZ2 LYS A 40 24.570 -7.688 0.601 1.00 21.32 H new ATOM 0 HZ3 LYS A 40 23.392 -8.870 0.911 1.00 21.32 H new ATOM 557 N GLU A 41 16.991 -5.694 1.991 1.00 65.04 N ATOM 558 CA GLU A 41 15.603 -5.326 1.737 1.00 4.24 C ATOM 559 C GLU A 41 14.898 -4.940 3.034 1.00 11.52 C ATOM 560 O GLU A 41 14.477 -3.795 3.207 1.00 71.31 O ATOM 561 CB GLU A 41 14.860 -6.482 1.065 1.00 45.25 C ATOM 562 CG GLU A 41 14.590 -6.254 -0.413 1.00 42.42 C ATOM 563 CD GLU A 41 13.118 -6.045 -0.712 1.00 22.04 C ATOM 564 OE1 GLU A 41 12.282 -6.700 -0.055 1.00 12.23 O ATOM 565 OE2 GLU A 41 12.803 -5.228 -1.601 1.00 54.14 O ATOM 0 H GLU A 41 17.147 -6.695 2.110 1.00 65.04 H new ATOM 0 HA GLU A 41 15.598 -4.464 1.070 1.00 4.24 H new ATOM 0 HB2 GLU A 41 15.443 -7.395 1.183 1.00 45.25 H new ATOM 0 HB3 GLU A 41 13.912 -6.641 1.579 1.00 45.25 H new ATOM 0 HG2 GLU A 41 15.153 -5.384 -0.751 1.00 42.42 H new ATOM 0 HG3 GLU A 41 14.954 -7.110 -0.981 1.00 42.42 H new ATOM 572 N ILE A 42 14.772 -5.902 3.942 1.00 42.13 N ATOM 573 CA ILE A 42 14.119 -5.663 5.222 1.00 15.14 C ATOM 574 C ILE A 42 14.831 -4.567 6.007 1.00 2.23 C ATOM 575 O ILE A 42 14.233 -3.909 6.858 1.00 32.53 O ATOM 576 CB ILE A 42 14.071 -6.943 6.078 1.00 52.24 C ATOM 577 CG1 ILE A 42 15.418 -7.667 6.027 1.00 52.22 C ATOM 578 CG2 ILE A 42 12.953 -7.858 5.600 1.00 41.32 C ATOM 579 CD1 ILE A 42 15.399 -8.918 5.177 1.00 24.23 C ATOM 0 H ILE A 42 15.114 -6.854 3.814 1.00 42.13 H new ATOM 0 HA ILE A 42 13.100 -5.345 5.001 1.00 15.14 H new ATOM 0 HB ILE A 42 13.869 -6.664 7.112 1.00 52.24 H new ATOM 0 HG12 ILE A 42 16.174 -6.985 5.638 1.00 52.22 H new ATOM 0 HG13 ILE A 42 15.718 -7.931 7.041 1.00 52.22 H new ATOM 0 HG21 ILE A 42 12.932 -8.758 6.214 1.00 41.32 H new ATOM 0 HG22 ILE A 42 11.998 -7.339 5.683 1.00 41.32 H new ATOM 0 HG23 ILE A 42 13.127 -8.133 4.560 1.00 41.32 H new ATOM 0 HD11 ILE A 42 16.387 -9.379 5.186 1.00 24.23 H new ATOM 0 HD12 ILE A 42 14.667 -9.619 5.578 1.00 24.23 H new ATOM 0 HD13 ILE A 42 15.130 -8.658 4.153 1.00 24.23 H new ATOM 591 N ALA A 43 16.113 -4.374 5.714 1.00 70.34 N ATOM 592 CA ALA A 43 16.907 -3.355 6.389 1.00 73.12 C ATOM 593 C ALA A 43 16.603 -1.967 5.836 1.00 51.14 C ATOM 594 O ALA A 43 16.606 -0.981 6.572 1.00 1.52 O ATOM 595 CB ALA A 43 18.390 -3.666 6.254 1.00 30.11 C ATOM 0 H ALA A 43 16.624 -4.911 5.013 1.00 70.34 H new ATOM 0 HA ALA A 43 16.640 -3.363 7.446 1.00 73.12 H new ATOM 0 HB1 ALA A 43 18.971 -2.897 6.763 1.00 30.11 H new ATOM 0 HB2 ALA A 43 18.601 -4.636 6.703 1.00 30.11 H new ATOM 0 HB3 ALA A 43 18.663 -3.688 5.199 1.00 30.11 H new ATOM 601 N ARG A 44 16.342 -1.898 4.534 1.00 14.34 N ATOM 602 CA ARG A 44 16.038 -0.630 3.883 1.00 52.45 C ATOM 603 C ARG A 44 14.609 -0.190 4.188 1.00 51.03 C ATOM 604 O ARG A 44 14.356 0.980 4.474 1.00 52.42 O ATOM 605 CB ARG A 44 16.234 -0.749 2.370 1.00 31.31 C ATOM 606 CG ARG A 44 17.628 -0.364 1.904 1.00 3.52 C ATOM 607 CD ARG A 44 17.776 1.145 1.778 1.00 71.33 C ATOM 608 NE ARG A 44 19.170 1.546 1.607 1.00 32.21 N ATOM 609 CZ ARG A 44 19.583 2.807 1.661 1.00 25.00 C ATOM 610 NH1 ARG A 44 18.715 3.784 1.880 1.00 13.31 N ATOM 611 NH2 ARG A 44 20.869 3.093 1.496 1.00 33.51 N ATOM 0 H ARG A 44 16.335 -2.705 3.910 1.00 14.34 H new ATOM 0 HA ARG A 44 16.723 0.123 4.274 1.00 52.45 H new ATOM 0 HB2 ARG A 44 16.029 -1.775 2.065 1.00 31.31 H new ATOM 0 HB3 ARG A 44 15.504 -0.115 1.867 1.00 31.31 H new ATOM 0 HG2 ARG A 44 18.367 -0.746 2.609 1.00 3.52 H new ATOM 0 HG3 ARG A 44 17.834 -0.833 0.942 1.00 3.52 H new ATOM 0 HD2 ARG A 44 17.191 1.497 0.928 1.00 71.33 H new ATOM 0 HD3 ARG A 44 17.367 1.625 2.667 1.00 71.33 H new ATOM 0 HE ARG A 44 19.864 0.818 1.437 1.00 32.21 H new ATOM 0 HH11 ARG A 44 17.726 3.569 2.008 1.00 13.31 H new ATOM 0 HH12 ARG A 44 19.036 4.751 1.921 1.00 13.31 H new ATOM 0 HH21 ARG A 44 21.541 2.344 1.328 1.00 33.51 H new ATOM 0 HH22 ARG A 44 21.185 4.062 1.538 1.00 33.51 H new ATOM 625 N VAL A 45 13.678 -1.136 4.124 1.00 34.42 N ATOM 626 CA VAL A 45 12.274 -0.847 4.394 1.00 23.51 C ATOM 627 C VAL A 45 12.052 -0.534 5.869 1.00 13.33 C ATOM 628 O VAL A 45 11.160 0.238 6.224 1.00 54.34 O ATOM 629 CB VAL A 45 11.370 -2.027 3.989 1.00 24.24 C ATOM 630 CG1 VAL A 45 11.593 -2.395 2.530 1.00 1.43 C ATOM 631 CG2 VAL A 45 11.621 -3.225 4.894 1.00 42.44 C ATOM 0 H VAL A 45 13.870 -2.109 3.888 1.00 34.42 H new ATOM 0 HA VAL A 45 12.009 0.025 3.796 1.00 23.51 H new ATOM 0 HB VAL A 45 10.330 -1.722 4.107 1.00 24.24 H new ATOM 0 HG11 VAL A 45 10.946 -3.230 2.262 1.00 1.43 H new ATOM 0 HG12 VAL A 45 11.359 -1.538 1.899 1.00 1.43 H new ATOM 0 HG13 VAL A 45 12.634 -2.681 2.382 1.00 1.43 H new ATOM 0 HG21 VAL A 45 10.974 -4.049 4.594 1.00 42.44 H new ATOM 0 HG22 VAL A 45 12.663 -3.532 4.810 1.00 42.44 H new ATOM 0 HG23 VAL A 45 11.405 -2.952 5.927 1.00 42.44 H new ATOM 641 N LEU A 46 12.868 -1.137 6.726 1.00 2.43 N ATOM 642 CA LEU A 46 12.762 -0.921 8.165 1.00 34.43 C ATOM 643 C LEU A 46 13.103 0.520 8.527 1.00 2.50 C ATOM 644 O LEU A 46 12.437 1.137 9.358 1.00 30.21 O ATOM 645 CB LEU A 46 13.689 -1.880 8.914 1.00 35.53 C ATOM 646 CG LEU A 46 13.758 -1.700 10.431 1.00 14.41 C ATOM 647 CD1 LEU A 46 12.652 -2.490 11.114 1.00 41.12 C ATOM 648 CD2 LEU A 46 15.121 -2.123 10.957 1.00 23.01 C ATOM 0 H LEU A 46 13.611 -1.779 6.450 1.00 2.43 H new ATOM 0 HA LEU A 46 11.731 -1.116 8.461 1.00 34.43 H new ATOM 0 HB2 LEU A 46 13.370 -2.901 8.704 1.00 35.53 H new ATOM 0 HB3 LEU A 46 14.695 -1.771 8.509 1.00 35.53 H new ATOM 0 HG LEU A 46 13.615 -0.644 10.659 1.00 14.41 H new ATOM 0 HD11 LEU A 46 12.717 -2.349 12.193 1.00 41.12 H new ATOM 0 HD12 LEU A 46 11.683 -2.139 10.760 1.00 41.12 H new ATOM 0 HD13 LEU A 46 12.762 -3.549 10.879 1.00 41.12 H new ATOM 0 HD21 LEU A 46 15.152 -1.988 12.038 1.00 23.01 H new ATOM 0 HD22 LEU A 46 15.294 -3.172 10.717 1.00 23.01 H new ATOM 0 HD23 LEU A 46 15.896 -1.512 10.493 1.00 23.01 H new ATOM 660 N ALA A 47 14.144 1.053 7.896 1.00 64.35 N ATOM 661 CA ALA A 47 14.572 2.423 8.148 1.00 53.34 C ATOM 662 C ALA A 47 13.649 3.422 7.457 1.00 34.15 C ATOM 663 O ALA A 47 13.492 4.555 7.913 1.00 23.30 O ATOM 664 CB ALA A 47 16.008 2.622 7.685 1.00 15.12 C ATOM 0 H ALA A 47 14.707 0.556 7.206 1.00 64.35 H new ATOM 0 HA ALA A 47 14.520 2.601 9.222 1.00 53.34 H new ATOM 0 HB1 ALA A 47 16.314 3.650 7.880 1.00 15.12 H new ATOM 0 HB2 ALA A 47 16.663 1.940 8.227 1.00 15.12 H new ATOM 0 HB3 ALA A 47 16.077 2.419 6.616 1.00 15.12 H new ATOM 670 N SER A 48 13.040 2.994 6.356 1.00 51.51 N ATOM 671 CA SER A 48 12.136 3.853 5.600 1.00 15.21 C ATOM 672 C SER A 48 10.769 3.931 6.275 1.00 25.00 C ATOM 673 O SER A 48 10.180 5.007 6.389 1.00 63.23 O ATOM 674 CB SER A 48 11.981 3.334 4.169 1.00 23.55 C ATOM 675 OG SER A 48 11.654 4.385 3.278 1.00 74.24 O ATOM 0 H SER A 48 13.156 2.058 5.968 1.00 51.51 H new ATOM 0 HA SER A 48 12.566 4.854 5.571 1.00 15.21 H new ATOM 0 HB2 SER A 48 12.908 2.857 3.849 1.00 23.55 H new ATOM 0 HB3 SER A 48 11.203 2.571 4.138 1.00 23.55 H new ATOM 0 HG SER A 48 11.562 4.028 2.370 1.00 74.24 H new ATOM 681 N LEU A 49 10.271 2.783 6.721 1.00 1.33 N ATOM 682 CA LEU A 49 8.974 2.719 7.386 1.00 51.43 C ATOM 683 C LEU A 49 8.990 3.512 8.689 1.00 52.24 C ATOM 684 O LEU A 49 8.184 4.422 8.883 1.00 32.42 O ATOM 685 CB LEU A 49 8.593 1.264 7.665 1.00 2.42 C ATOM 686 CG LEU A 49 7.716 0.586 6.613 1.00 51.05 C ATOM 687 CD1 LEU A 49 6.386 1.311 6.478 1.00 32.15 C ATOM 688 CD2 LEU A 49 8.435 0.534 5.272 1.00 13.32 C ATOM 0 H LEU A 49 10.745 1.884 6.634 1.00 1.33 H new ATOM 0 HA LEU A 49 8.231 3.162 6.723 1.00 51.43 H new ATOM 0 HB2 LEU A 49 9.509 0.684 7.773 1.00 2.42 H new ATOM 0 HB3 LEU A 49 8.074 1.223 8.623 1.00 2.42 H new ATOM 0 HG LEU A 49 7.518 -0.436 6.937 1.00 51.05 H new ATOM 0 HD11 LEU A 49 5.775 0.814 5.724 1.00 32.15 H new ATOM 0 HD12 LEU A 49 5.865 1.296 7.435 1.00 32.15 H new ATOM 0 HD13 LEU A 49 6.563 2.344 6.178 1.00 32.15 H new ATOM 0 HD21 LEU A 49 7.796 0.048 4.535 1.00 13.32 H new ATOM 0 HD22 LEU A 49 8.664 1.547 4.942 1.00 13.32 H new ATOM 0 HD23 LEU A 49 9.361 -0.031 5.377 1.00 13.32 H new ATOM 700 N ALA A 50 9.914 3.162 9.577 1.00 1.11 N ATOM 701 CA ALA A 50 10.038 3.844 10.860 1.00 71.44 C ATOM 702 C ALA A 50 10.243 5.342 10.667 1.00 11.43 C ATOM 703 O ALA A 50 9.951 6.139 11.559 1.00 11.23 O ATOM 704 CB ALA A 50 11.185 3.251 11.664 1.00 65.24 C ATOM 0 H ALA A 50 10.588 2.410 9.432 1.00 1.11 H new ATOM 0 HA ALA A 50 9.109 3.699 11.412 1.00 71.44 H new ATOM 0 HB1 ALA A 50 11.266 3.770 12.619 1.00 65.24 H new ATOM 0 HB2 ALA A 50 10.996 2.192 11.841 1.00 65.24 H new ATOM 0 HB3 ALA A 50 12.116 3.366 11.109 1.00 65.24 H new ATOM 710 N LYS A 51 10.748 5.720 9.498 1.00 55.53 N ATOM 711 CA LYS A 51 10.992 7.124 9.187 1.00 73.00 C ATOM 712 C LYS A 51 9.729 7.955 9.393 1.00 21.45 C ATOM 713 O LYS A 51 9.797 9.121 9.782 1.00 22.22 O ATOM 714 CB LYS A 51 11.481 7.271 7.744 1.00 21.44 C ATOM 715 CG LYS A 51 12.154 8.603 7.463 1.00 61.11 C ATOM 716 CD LYS A 51 12.181 8.910 5.975 1.00 4.52 C ATOM 717 CE LYS A 51 12.557 10.361 5.713 1.00 64.34 C ATOM 718 NZ LYS A 51 11.370 11.258 5.757 1.00 10.32 N ATOM 0 H LYS A 51 10.997 5.073 8.749 1.00 55.53 H new ATOM 0 HA LYS A 51 11.762 7.491 9.865 1.00 73.00 H new ATOM 0 HB2 LYS A 51 12.181 6.466 7.523 1.00 21.44 H new ATOM 0 HB3 LYS A 51 10.634 7.152 7.068 1.00 21.44 H new ATOM 0 HG2 LYS A 51 11.625 9.397 7.990 1.00 61.11 H new ATOM 0 HG3 LYS A 51 13.173 8.586 7.851 1.00 61.11 H new ATOM 0 HD2 LYS A 51 12.895 8.253 5.479 1.00 4.52 H new ATOM 0 HD3 LYS A 51 11.203 8.702 5.542 1.00 4.52 H new ATOM 0 HE2 LYS A 51 13.286 10.687 6.455 1.00 64.34 H new ATOM 0 HE3 LYS A 51 13.037 10.441 4.738 1.00 64.34 H new ATOM 0 HZ1 LYS A 51 11.668 12.237 5.574 1.00 10.32 H new ATOM 0 HZ2 LYS A 51 10.685 10.963 5.032 1.00 10.32 H new ATOM 0 HZ3 LYS A 51 10.926 11.201 6.696 1.00 10.32 H new ATOM 732 N LYS A 52 8.577 7.346 9.132 1.00 0.43 N ATOM 733 CA LYS A 52 7.298 8.028 9.292 1.00 50.01 C ATOM 734 C LYS A 52 6.760 7.851 10.708 1.00 2.13 C ATOM 735 O LYS A 52 5.869 8.581 11.140 1.00 41.30 O ATOM 736 CB LYS A 52 6.282 7.494 8.279 1.00 44.50 C ATOM 737 CG LYS A 52 6.765 7.563 6.840 1.00 32.34 C ATOM 738 CD LYS A 52 6.076 6.524 5.971 1.00 11.13 C ATOM 739 CE LYS A 52 6.641 5.132 6.212 1.00 14.52 C ATOM 740 NZ LYS A 52 5.711 4.287 7.012 1.00 2.50 N ATOM 0 H LYS A 52 8.503 6.381 8.809 1.00 0.43 H new ATOM 0 HA LYS A 52 7.457 9.091 9.113 1.00 50.01 H new ATOM 0 HB2 LYS A 52 6.046 6.459 8.525 1.00 44.50 H new ATOM 0 HB3 LYS A 52 5.357 8.063 8.371 1.00 44.50 H new ATOM 0 HG2 LYS A 52 6.575 8.558 6.439 1.00 32.34 H new ATOM 0 HG3 LYS A 52 7.843 7.407 6.809 1.00 32.34 H new ATOM 0 HD2 LYS A 52 5.006 6.525 6.180 1.00 11.13 H new ATOM 0 HD3 LYS A 52 6.196 6.790 4.921 1.00 11.13 H new ATOM 0 HE2 LYS A 52 6.838 4.649 5.255 1.00 14.52 H new ATOM 0 HE3 LYS A 52 7.596 5.212 6.731 1.00 14.52 H new ATOM 0 HZ1 LYS A 52 6.254 3.736 7.707 1.00 2.50 H new ATOM 0 HZ2 LYS A 52 5.029 4.895 7.509 1.00 2.50 H new ATOM 0 HZ3 LYS A 52 5.200 3.639 6.379 1.00 2.50 H new ATOM 754 N GLY A 53 7.309 6.877 11.428 1.00 61.13 N ATOM 755 CA GLY A 53 6.873 6.623 12.788 1.00 15.12 C ATOM 756 C GLY A 53 5.897 5.466 12.878 1.00 41.32 C ATOM 757 O GLY A 53 5.360 5.178 13.948 1.00 65.22 O ATOM 0 H GLY A 53 8.048 6.259 11.093 1.00 61.13 H new ATOM 0 HA2 GLY A 53 7.742 6.411 13.411 1.00 15.12 H new ATOM 0 HA3 GLY A 53 6.405 7.521 13.190 1.00 15.12 H new ATOM 761 N LYS A 54 5.665 4.802 11.751 1.00 73.11 N ATOM 762 CA LYS A 54 4.747 3.670 11.705 1.00 72.10 C ATOM 763 C LYS A 54 5.411 2.409 12.249 1.00 75.20 C ATOM 764 O LYS A 54 4.733 1.461 12.648 1.00 14.15 O ATOM 765 CB LYS A 54 4.271 3.430 10.270 1.00 3.42 C ATOM 766 CG LYS A 54 3.018 2.577 10.179 1.00 11.23 C ATOM 767 CD LYS A 54 1.762 3.432 10.162 1.00 73.22 C ATOM 768 CE LYS A 54 0.548 2.629 9.720 1.00 54.01 C ATOM 769 NZ LYS A 54 -0.723 3.367 9.962 1.00 71.14 N ATOM 0 H LYS A 54 6.100 5.028 10.857 1.00 73.11 H new ATOM 0 HA LYS A 54 3.887 3.906 12.332 1.00 72.10 H new ATOM 0 HB2 LYS A 54 4.081 4.392 9.794 1.00 3.42 H new ATOM 0 HB3 LYS A 54 5.070 2.948 9.707 1.00 3.42 H new ATOM 0 HG2 LYS A 54 3.057 1.967 9.276 1.00 11.23 H new ATOM 0 HG3 LYS A 54 2.981 1.891 11.026 1.00 11.23 H new ATOM 0 HD2 LYS A 54 1.586 3.842 11.156 1.00 73.22 H new ATOM 0 HD3 LYS A 54 1.905 4.278 9.489 1.00 73.22 H new ATOM 0 HE2 LYS A 54 0.635 2.393 8.659 1.00 54.01 H new ATOM 0 HE3 LYS A 54 0.525 1.680 10.256 1.00 54.01 H new ATOM 0 HZ1 LYS A 54 -1.527 2.787 9.648 1.00 71.14 H new ATOM 0 HZ2 LYS A 54 -0.819 3.570 10.978 1.00 71.14 H new ATOM 0 HZ3 LYS A 54 -0.712 4.261 9.430 1.00 71.14 H new ATOM 783 N LEU A 55 6.739 2.404 12.263 1.00 52.00 N ATOM 784 CA LEU A 55 7.495 1.259 12.760 1.00 54.41 C ATOM 785 C LEU A 55 8.192 1.596 14.074 1.00 51.30 C ATOM 786 O LEU A 55 8.331 2.766 14.431 1.00 33.22 O ATOM 787 CB LEU A 55 8.526 0.815 11.721 1.00 30.45 C ATOM 788 CG LEU A 55 8.157 -0.417 10.894 1.00 51.02 C ATOM 789 CD1 LEU A 55 8.222 -1.673 11.748 1.00 30.41 C ATOM 790 CD2 LEU A 55 6.772 -0.255 10.285 1.00 53.10 C ATOM 0 H LEU A 55 7.315 3.180 11.936 1.00 52.00 H new ATOM 0 HA LEU A 55 6.796 0.443 12.941 1.00 54.41 H new ATOM 0 HB2 LEU A 55 8.705 1.646 11.038 1.00 30.45 H new ATOM 0 HB3 LEU A 55 9.467 0.615 12.234 1.00 30.45 H new ATOM 0 HG LEU A 55 8.879 -0.516 10.084 1.00 51.02 H new ATOM 0 HD11 LEU A 55 7.956 -2.539 11.142 1.00 30.41 H new ATOM 0 HD12 LEU A 55 9.233 -1.798 12.135 1.00 30.41 H new ATOM 0 HD13 LEU A 55 7.523 -1.584 12.580 1.00 30.41 H new ATOM 0 HD21 LEU A 55 6.526 -1.141 9.700 1.00 53.10 H new ATOM 0 HD22 LEU A 55 6.037 -0.130 11.080 1.00 53.10 H new ATOM 0 HD23 LEU A 55 6.759 0.622 9.638 1.00 53.10 H new ATOM 802 N GLN A 56 8.630 0.564 14.787 1.00 30.12 N ATOM 803 CA GLN A 56 9.314 0.751 16.061 1.00 45.41 C ATOM 804 C GLN A 56 10.321 -0.368 16.308 1.00 52.40 C ATOM 805 O GLN A 56 10.136 -1.496 15.850 1.00 4.51 O ATOM 806 CB GLN A 56 8.301 0.804 17.206 1.00 61.04 C ATOM 807 CG GLN A 56 7.721 2.189 17.441 1.00 12.11 C ATOM 808 CD GLN A 56 6.841 2.251 18.674 1.00 0.32 C ATOM 809 OE1 GLN A 56 6.080 1.325 18.955 1.00 54.30 O ATOM 810 NE2 GLN A 56 6.941 3.346 19.419 1.00 42.34 N ATOM 0 H GLN A 56 8.524 -0.410 14.504 1.00 30.12 H new ATOM 0 HA GLN A 56 9.853 1.697 16.019 1.00 45.41 H new ATOM 0 HB2 GLN A 56 7.488 0.110 16.993 1.00 61.04 H new ATOM 0 HB3 GLN A 56 8.782 0.460 18.122 1.00 61.04 H new ATOM 0 HG2 GLN A 56 8.535 2.907 17.543 1.00 12.11 H new ATOM 0 HG3 GLN A 56 7.140 2.488 16.569 1.00 12.11 H new ATOM 0 HE21 GLN A 56 7.585 4.089 19.149 1.00 42.34 H new ATOM 0 HE22 GLN A 56 6.374 3.443 20.261 1.00 42.34 H new ATOM 819 N LYS A 57 11.386 -0.048 17.035 1.00 64.43 N ATOM 820 CA LYS A 57 12.423 -1.026 17.344 1.00 32.23 C ATOM 821 C LYS A 57 12.694 -1.075 18.844 1.00 4.44 C ATOM 822 O LYS A 57 13.374 -0.205 19.389 1.00 32.22 O ATOM 823 CB LYS A 57 13.712 -0.689 16.592 1.00 3.54 C ATOM 824 CG LYS A 57 14.097 0.779 16.673 1.00 73.33 C ATOM 825 CD LYS A 57 13.550 1.564 15.492 1.00 35.14 C ATOM 826 CE LYS A 57 14.391 2.798 15.206 1.00 41.03 C ATOM 827 NZ LYS A 57 14.345 3.179 13.767 1.00 72.12 N ATOM 0 H LYS A 57 11.554 0.881 17.421 1.00 64.43 H new ATOM 0 HA LYS A 57 12.070 -2.006 17.024 1.00 32.23 H new ATOM 0 HB2 LYS A 57 14.526 -1.292 16.994 1.00 3.54 H new ATOM 0 HB3 LYS A 57 13.596 -0.968 15.545 1.00 3.54 H new ATOM 0 HG2 LYS A 57 13.717 1.205 17.602 1.00 73.33 H new ATOM 0 HG3 LYS A 57 15.183 0.871 16.701 1.00 73.33 H new ATOM 0 HD2 LYS A 57 13.527 0.926 14.609 1.00 35.14 H new ATOM 0 HD3 LYS A 57 12.522 1.862 15.697 1.00 35.14 H new ATOM 0 HE2 LYS A 57 14.034 3.630 15.813 1.00 41.03 H new ATOM 0 HE3 LYS A 57 15.424 2.610 15.499 1.00 41.03 H new ATOM 0 HZ1 LYS A 57 14.931 4.024 13.613 1.00 72.12 H new ATOM 0 HZ2 LYS A 57 14.709 2.395 13.189 1.00 72.12 H new ATOM 0 HZ3 LYS A 57 13.363 3.384 13.493 1.00 72.12 H new ATOM 841 N GLU A 58 12.160 -2.097 19.505 1.00 24.13 N ATOM 842 CA GLU A 58 12.347 -2.258 20.943 1.00 51.34 C ATOM 843 C GLU A 58 13.804 -2.569 21.271 1.00 44.13 C ATOM 844 O GLU A 58 14.198 -3.732 21.353 1.00 4.24 O ATOM 845 CB GLU A 58 11.444 -3.372 21.475 1.00 33.21 C ATOM 846 CG GLU A 58 10.738 -3.016 22.772 1.00 14.34 C ATOM 847 CD GLU A 58 9.706 -4.051 23.179 1.00 45.42 C ATOM 848 OE1 GLU A 58 9.520 -5.030 22.427 1.00 54.10 O ATOM 849 OE2 GLU A 58 9.087 -3.881 24.250 1.00 55.34 O ATOM 0 H GLU A 58 11.595 -2.825 19.069 1.00 24.13 H new ATOM 0 HA GLU A 58 12.077 -1.319 21.426 1.00 51.34 H new ATOM 0 HB2 GLU A 58 10.697 -3.615 20.719 1.00 33.21 H new ATOM 0 HB3 GLU A 58 12.042 -4.270 21.631 1.00 33.21 H new ATOM 0 HG2 GLU A 58 11.477 -2.913 23.567 1.00 14.34 H new ATOM 0 HG3 GLU A 58 10.251 -2.047 22.662 1.00 14.34 H new ATOM 856 N ALA A 59 14.600 -1.520 21.456 1.00 32.50 N ATOM 857 CA ALA A 59 16.013 -1.681 21.776 1.00 13.24 C ATOM 858 C ALA A 59 16.253 -1.559 23.277 1.00 35.54 C ATOM 859 O ALA A 59 16.754 -0.543 23.756 1.00 54.23 O ATOM 860 CB ALA A 59 16.845 -0.654 21.022 1.00 14.13 C ATOM 0 H ALA A 59 14.290 -0.550 21.390 1.00 32.50 H new ATOM 0 HA ALA A 59 16.319 -2.680 21.465 1.00 13.24 H new ATOM 0 HB1 ALA A 59 17.898 -0.786 21.270 1.00 14.13 H new ATOM 0 HB2 ALA A 59 16.705 -0.789 19.949 1.00 14.13 H new ATOM 0 HB3 ALA A 59 16.528 0.350 21.305 1.00 14.13 H new ATOM 866 N GLY A 60 15.890 -2.604 24.016 1.00 4.14 N ATOM 867 CA GLY A 60 16.073 -2.593 25.456 1.00 24.20 C ATOM 868 C GLY A 60 16.079 -3.988 26.050 1.00 10.32 C ATOM 869 O GLY A 60 16.726 -4.893 25.523 1.00 30.41 O ATOM 0 H GLY A 60 15.473 -3.457 23.643 1.00 4.14 H new ATOM 0 HA2 GLY A 60 17.012 -2.095 25.696 1.00 24.20 H new ATOM 0 HA3 GLY A 60 15.276 -2.009 25.916 1.00 24.20 H new ATOM 873 N THR A 61 15.357 -4.162 27.153 1.00 62.51 N ATOM 874 CA THR A 61 15.284 -5.455 27.821 1.00 35.52 C ATOM 875 C THR A 61 14.826 -6.546 26.859 1.00 21.25 C ATOM 876 O THR A 61 15.557 -7.491 26.561 1.00 43.43 O ATOM 877 CB THR A 61 14.323 -5.412 29.025 1.00 70.04 C ATOM 878 OG1 THR A 61 13.655 -4.146 29.073 1.00 71.43 O ATOM 879 CG2 THR A 61 15.075 -5.644 30.326 1.00 4.22 C ATOM 0 H THR A 61 14.815 -3.424 27.602 1.00 62.51 H new ATOM 0 HA THR A 61 16.289 -5.685 28.175 1.00 35.52 H new ATOM 0 HB THR A 61 13.587 -6.207 28.903 1.00 70.04 H new ATOM 0 HG1 THR A 61 12.768 -4.259 29.473 1.00 71.43 H new ATOM 0 HG21 THR A 61 14.376 -5.609 31.162 1.00 4.22 H new ATOM 0 HG22 THR A 61 15.558 -6.621 30.298 1.00 4.22 H new ATOM 0 HG23 THR A 61 15.831 -4.869 30.453 1.00 4.22 H new ATOM 887 N PRO A 62 13.588 -6.416 26.361 1.00 13.42 N ATOM 888 CA PRO A 62 13.006 -7.381 25.424 1.00 35.12 C ATOM 889 C PRO A 62 13.669 -7.329 24.052 1.00 33.51 C ATOM 890 O PRO A 62 13.501 -6.377 23.290 1.00 3.35 O ATOM 891 CB PRO A 62 11.542 -6.943 25.328 1.00 71.35 C ATOM 892 CG PRO A 62 11.557 -5.493 25.668 1.00 41.02 C ATOM 893 CD PRO A 62 12.661 -5.315 26.674 1.00 75.12 C ATOM 0 HA PRO A 62 13.136 -8.409 25.763 1.00 35.12 H new ATOM 0 HB2 PRO A 62 11.143 -7.111 24.327 1.00 71.35 H new ATOM 0 HB3 PRO A 62 10.914 -7.505 26.020 1.00 71.35 H new ATOM 0 HG2 PRO A 62 11.736 -4.886 24.781 1.00 41.02 H new ATOM 0 HG3 PRO A 62 10.598 -5.179 26.081 1.00 41.02 H new ATOM 0 HD2 PRO A 62 13.143 -4.343 26.574 1.00 75.12 H new ATOM 0 HD3 PRO A 62 12.288 -5.382 27.696 1.00 75.12 H new ATOM 901 N PRO A 63 14.440 -8.378 23.727 1.00 52.31 N ATOM 902 CA PRO A 63 15.143 -8.475 22.444 1.00 31.43 C ATOM 903 C PRO A 63 14.188 -8.690 21.275 1.00 43.12 C ATOM 904 O PRO A 63 13.899 -9.826 20.896 1.00 3.12 O ATOM 905 CB PRO A 63 16.047 -9.697 22.628 1.00 50.04 C ATOM 906 CG PRO A 63 15.364 -10.522 23.663 1.00 11.21 C ATOM 907 CD PRO A 63 14.684 -9.548 24.586 1.00 63.40 C ATOM 0 HA PRO A 63 15.684 -7.559 22.204 1.00 31.43 H new ATOM 0 HB2 PRO A 63 16.162 -10.248 21.695 1.00 50.04 H new ATOM 0 HB3 PRO A 63 17.046 -9.405 22.951 1.00 50.04 H new ATOM 0 HG2 PRO A 63 14.641 -11.199 23.208 1.00 11.21 H new ATOM 0 HG3 PRO A 63 16.080 -11.139 24.206 1.00 11.21 H new ATOM 0 HD2 PRO A 63 13.755 -9.954 24.985 1.00 63.40 H new ATOM 0 HD3 PRO A 63 15.314 -9.296 25.439 1.00 63.40 H new ATOM 915 N LEU A 64 13.702 -7.593 20.706 1.00 53.24 N ATOM 916 CA LEU A 64 12.779 -7.661 19.577 1.00 1.25 C ATOM 917 C LEU A 64 12.380 -6.263 19.115 1.00 24.10 C ATOM 918 O LEU A 64 12.756 -5.265 19.730 1.00 51.34 O ATOM 919 CB LEU A 64 11.532 -8.459 19.961 1.00 53.21 C ATOM 920 CG LEU A 64 11.444 -9.878 19.400 1.00 62.43 C ATOM 921 CD1 LEU A 64 11.232 -10.884 20.521 1.00 52.40 C ATOM 922 CD2 LEU A 64 10.326 -9.978 18.373 1.00 53.03 C ATOM 0 H LEU A 64 13.931 -6.646 21.007 1.00 53.24 H new ATOM 0 HA LEU A 64 13.286 -8.164 18.754 1.00 1.25 H new ATOM 0 HB2 LEU A 64 11.482 -8.516 21.048 1.00 53.21 H new ATOM 0 HB3 LEU A 64 10.654 -7.904 19.630 1.00 53.21 H new ATOM 0 HG LEU A 64 12.387 -10.110 18.905 1.00 62.43 H new ATOM 0 HD11 LEU A 64 11.172 -11.888 20.102 1.00 52.40 H new ATOM 0 HD12 LEU A 64 12.067 -10.832 21.220 1.00 52.40 H new ATOM 0 HD13 LEU A 64 10.305 -10.654 21.046 1.00 52.40 H new ATOM 0 HD21 LEU A 64 10.279 -10.995 17.985 1.00 53.03 H new ATOM 0 HD22 LEU A 64 9.376 -9.725 18.843 1.00 53.03 H new ATOM 0 HD23 LEU A 64 10.521 -9.286 17.554 1.00 53.03 H new ATOM 934 N TRP A 65 11.617 -6.200 18.030 1.00 34.15 N ATOM 935 CA TRP A 65 11.165 -4.924 17.487 1.00 31.20 C ATOM 936 C TRP A 65 9.748 -4.606 17.951 1.00 11.12 C ATOM 937 O TRP A 65 9.189 -5.305 18.796 1.00 33.14 O ATOM 938 CB TRP A 65 11.221 -4.949 15.959 1.00 73.13 C ATOM 939 CG TRP A 65 12.439 -5.636 15.420 1.00 72.22 C ATOM 940 CD1 TRP A 65 12.499 -6.472 14.341 1.00 12.51 C ATOM 941 CD2 TRP A 65 13.771 -5.548 15.936 1.00 23.12 C ATOM 942 NE1 TRP A 65 13.788 -6.908 14.156 1.00 65.12 N ATOM 943 CE2 TRP A 65 14.588 -6.355 15.121 1.00 63.34 C ATOM 944 CE3 TRP A 65 14.354 -4.864 17.007 1.00 62.45 C ATOM 945 CZ2 TRP A 65 15.955 -6.496 15.345 1.00 62.54 C ATOM 946 CZ3 TRP A 65 15.711 -5.006 17.228 1.00 51.13 C ATOM 947 CH2 TRP A 65 16.499 -5.816 16.400 1.00 44.13 C ATOM 0 H TRP A 65 11.298 -7.017 17.509 1.00 34.15 H new ATOM 0 HA TRP A 65 11.831 -4.144 17.856 1.00 31.20 H new ATOM 0 HB2 TRP A 65 10.331 -5.451 15.578 1.00 73.13 H new ATOM 0 HB3 TRP A 65 11.195 -3.926 15.585 1.00 73.13 H new ATOM 0 HD1 TRP A 65 11.657 -6.749 13.724 1.00 12.51 H new ATOM 0 HE1 TRP A 65 14.099 -7.541 13.419 1.00 65.12 H new ATOM 0 HE3 TRP A 65 13.755 -4.236 17.650 1.00 62.45 H new ATOM 0 HZ2 TRP A 65 16.564 -7.120 14.708 1.00 62.54 H new ATOM 0 HZ3 TRP A 65 16.172 -4.483 18.053 1.00 51.13 H new ATOM 0 HH2 TRP A 65 17.557 -5.905 16.599 1.00 44.13 H new ATOM 958 N LYS A 66 9.171 -3.547 17.394 1.00 41.24 N ATOM 959 CA LYS A 66 7.818 -3.136 17.749 1.00 70.10 C ATOM 960 C LYS A 66 7.103 -2.522 16.550 1.00 70.35 C ATOM 961 O LYS A 66 7.721 -2.251 15.519 1.00 14.35 O ATOM 962 CB LYS A 66 7.854 -2.132 18.903 1.00 2.03 C ATOM 963 CG LYS A 66 7.110 -2.601 20.141 1.00 22.44 C ATOM 964 CD LYS A 66 7.520 -1.810 21.372 1.00 41.11 C ATOM 965 CE LYS A 66 6.511 -1.969 22.499 1.00 54.55 C ATOM 966 NZ LYS A 66 7.087 -1.587 23.818 1.00 70.34 N ATOM 0 H LYS A 66 9.620 -2.957 16.694 1.00 41.24 H new ATOM 0 HA LYS A 66 7.267 -4.022 18.063 1.00 70.10 H new ATOM 0 HB2 LYS A 66 8.892 -1.932 19.167 1.00 2.03 H new ATOM 0 HB3 LYS A 66 7.424 -1.189 18.566 1.00 2.03 H new ATOM 0 HG2 LYS A 66 6.037 -2.498 19.982 1.00 22.44 H new ATOM 0 HG3 LYS A 66 7.308 -3.660 20.306 1.00 22.44 H new ATOM 0 HD2 LYS A 66 8.501 -2.144 21.711 1.00 41.11 H new ATOM 0 HD3 LYS A 66 7.615 -0.755 21.113 1.00 41.11 H new ATOM 0 HE2 LYS A 66 5.636 -1.352 22.293 1.00 54.55 H new ATOM 0 HE3 LYS A 66 6.170 -3.004 22.538 1.00 54.55 H new ATOM 0 HZ1 LYS A 66 6.329 -1.546 24.529 1.00 70.34 H new ATOM 0 HZ2 LYS A 66 7.794 -2.293 24.106 1.00 70.34 H new ATOM 0 HZ3 LYS A 66 7.541 -0.654 23.742 1.00 70.34 H new ATOM 980 N ILE A 67 5.800 -2.305 16.691 1.00 72.11 N ATOM 981 CA ILE A 67 5.003 -1.721 15.620 1.00 54.14 C ATOM 982 C ILE A 67 4.386 -0.395 16.053 1.00 32.55 C ATOM 983 O ILE A 67 4.345 -0.078 17.242 1.00 51.34 O ATOM 984 CB ILE A 67 3.880 -2.674 15.170 1.00 55.25 C ATOM 985 CG1 ILE A 67 2.663 -2.533 16.087 1.00 22.21 C ATOM 986 CG2 ILE A 67 4.378 -4.111 15.158 1.00 73.30 C ATOM 987 CD1 ILE A 67 2.956 -2.866 17.533 1.00 34.43 C ATOM 0 H ILE A 67 5.274 -2.525 17.537 1.00 72.11 H new ATOM 0 HA ILE A 67 5.679 -1.548 14.783 1.00 54.14 H new ATOM 0 HB ILE A 67 3.580 -2.406 14.157 1.00 55.25 H new ATOM 0 HG12 ILE A 67 2.289 -1.511 16.026 1.00 22.21 H new ATOM 0 HG13 ILE A 67 1.868 -3.186 15.726 1.00 22.21 H new ATOM 0 HG21 ILE A 67 3.573 -4.772 14.838 1.00 73.30 H new ATOM 0 HG22 ILE A 67 5.217 -4.200 14.467 1.00 73.30 H new ATOM 0 HG23 ILE A 67 4.702 -4.392 16.160 1.00 73.30 H new ATOM 0 HD11 ILE A 67 2.049 -2.745 18.125 1.00 34.43 H new ATOM 0 HD12 ILE A 67 3.302 -3.897 17.606 1.00 34.43 H new ATOM 0 HD13 ILE A 67 3.729 -2.197 17.911 1.00 34.43 H new ATOM 999 N ALA A 68 3.905 0.374 15.082 1.00 63.52 N ATOM 1000 CA ALA A 68 3.287 1.663 15.363 1.00 33.04 C ATOM 1001 C ALA A 68 2.073 1.897 14.470 1.00 64.43 C ATOM 1002 O ALA A 68 1.055 2.426 14.916 1.00 52.23 O ATOM 1003 CB ALA A 68 4.300 2.784 15.185 1.00 14.33 C ATOM 0 H ALA A 68 3.932 0.126 14.093 1.00 63.52 H new ATOM 0 HA ALA A 68 2.947 1.657 16.399 1.00 33.04 H new ATOM 0 HB1 ALA A 68 3.824 3.741 15.398 1.00 14.33 H new ATOM 0 HB2 ALA A 68 5.134 2.633 15.870 1.00 14.33 H new ATOM 0 HB3 ALA A 68 4.668 2.782 14.159 1.00 14.33 H new