USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.175) USER MOD Single : A 25 MET CE :methyl -134:sc= -2.28 (180deg=-3.03) USER MOD Single : A 26 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 28 ASN : amide:sc= 0.0524 X(o=0.052,f=0) USER MOD Single : A 34 MET CE :methyl -144:sc= -1.56 (180deg=-5.85!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 170:sc= -0.352 USER MOD Single : A 51 GLN : amide:sc= 0.641 K(o=0.64,f=-9.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0519 (180deg=-0.0519) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.052 -1.663 -0.877 1.00 54.31 N ATOM 19 CA LYS A 2 5.387 -2.185 -0.611 1.00 14.02 C ATOM 20 C LYS A 2 5.875 -3.046 -1.771 1.00 23.51 C ATOM 21 O LYS A 2 6.659 -3.977 -1.579 1.00 14.55 O ATOM 22 CB LYS A 2 5.388 -3.004 0.682 1.00 11.42 C ATOM 23 CG LYS A 2 4.219 -3.967 0.794 1.00 55.55 C ATOM 24 CD LYS A 2 4.215 -4.687 2.131 1.00 31.03 C ATOM 25 CE LYS A 2 3.672 -6.102 2.001 1.00 52.20 C ATOM 26 NZ LYS A 2 2.440 -6.300 2.814 1.00 71.02 N ATOM 0 HA LYS A 2 6.065 -1.339 -0.499 1.00 14.02 H new ATOM 0 HB2 LYS A 2 6.319 -3.567 0.744 1.00 11.42 H new ATOM 0 HB3 LYS A 2 5.370 -2.323 1.533 1.00 11.42 H new ATOM 0 HG2 LYS A 2 3.284 -3.421 0.671 1.00 55.55 H new ATOM 0 HG3 LYS A 2 4.270 -4.698 -0.013 1.00 55.55 H new ATOM 0 HD2 LYS A 2 5.229 -4.721 2.530 1.00 31.03 H new ATOM 0 HD3 LYS A 2 3.610 -4.128 2.845 1.00 31.03 H new ATOM 0 HE2 LYS A 2 3.454 -6.313 0.954 1.00 52.20 H new ATOM 0 HE3 LYS A 2 4.434 -6.814 2.317 1.00 52.20 H new ATOM 0 HZ1 LYS A 2 2.101 -7.276 2.699 1.00 71.02 H new ATOM 0 HZ2 LYS A 2 2.654 -6.124 3.816 1.00 71.02 H new ATOM 0 HZ3 LYS A 2 1.704 -5.638 2.495 1.00 71.02 H new ATOM 40 N ARG A 3 5.409 -2.730 -2.974 1.00 71.04 N ATOM 41 CA ARG A 3 5.799 -3.475 -4.165 1.00 61.32 C ATOM 42 C ARG A 3 5.967 -2.542 -5.360 1.00 42.42 C ATOM 43 O ARG A 3 5.488 -1.407 -5.347 1.00 63.44 O ATOM 44 CB ARG A 3 4.757 -4.548 -4.485 1.00 72.44 C ATOM 45 CG ARG A 3 3.387 -3.984 -4.827 1.00 22.54 C ATOM 46 CD ARG A 3 2.441 -4.063 -3.639 1.00 33.31 C ATOM 47 NE ARG A 3 1.041 -4.000 -4.050 1.00 13.34 N ATOM 48 CZ ARG A 3 0.387 -5.020 -4.593 1.00 62.43 C ATOM 49 NH1 ARG A 3 1.004 -6.177 -4.790 1.00 60.43 N ATOM 50 NH2 ARG A 3 -0.886 -4.885 -4.941 1.00 32.12 N ATOM 0 H ARG A 3 4.760 -1.963 -3.150 1.00 71.04 H new ATOM 0 HA ARG A 3 6.756 -3.956 -3.964 1.00 61.32 H new ATOM 0 HB2 ARG A 3 5.112 -5.149 -5.322 1.00 72.44 H new ATOM 0 HB3 ARG A 3 4.662 -5.217 -3.630 1.00 72.44 H new ATOM 0 HG2 ARG A 3 3.488 -2.946 -5.145 1.00 22.54 H new ATOM 0 HG3 ARG A 3 2.965 -4.535 -5.667 1.00 22.54 H new ATOM 0 HD2 ARG A 3 2.618 -4.991 -3.096 1.00 33.31 H new ATOM 0 HD3 ARG A 3 2.654 -3.245 -2.951 1.00 33.31 H new ATOM 0 HE ARG A 3 0.538 -3.124 -3.912 1.00 13.34 H new ATOM 0 HH11 ARG A 3 1.983 -6.285 -4.524 1.00 60.43 H new ATOM 0 HH12 ARG A 3 0.500 -6.959 -5.207 1.00 60.43 H new ATOM 0 HH21 ARG A 3 -1.364 -3.996 -4.792 1.00 32.12 H new ATOM 0 HH22 ARG A 3 -1.387 -5.670 -5.358 1.00 32.12 H new ATOM 64 N PHE A 4 6.651 -3.026 -6.392 1.00 31.14 N ATOM 65 CA PHE A 4 6.884 -2.235 -7.594 1.00 52.31 C ATOM 66 C PHE A 4 6.638 -3.067 -8.849 1.00 63.30 C ATOM 67 O PHE A 4 7.329 -4.056 -9.096 1.00 30.10 O ATOM 68 CB PHE A 4 8.313 -1.689 -7.602 1.00 42.21 C ATOM 69 CG PHE A 4 8.394 -0.225 -7.929 1.00 70.12 C ATOM 70 CD1 PHE A 4 7.574 0.688 -7.287 1.00 12.24 C ATOM 71 CD2 PHE A 4 9.290 0.238 -8.879 1.00 25.41 C ATOM 72 CE1 PHE A 4 7.646 2.035 -7.586 1.00 54.44 C ATOM 73 CE2 PHE A 4 9.367 1.584 -9.183 1.00 21.13 C ATOM 74 CZ PHE A 4 8.544 2.484 -8.535 1.00 22.04 C ATOM 0 H PHE A 4 7.054 -3.963 -6.419 1.00 31.14 H new ATOM 0 HA PHE A 4 6.184 -1.400 -7.590 1.00 52.31 H new ATOM 0 HB2 PHE A 4 8.764 -1.860 -6.625 1.00 42.21 H new ATOM 0 HB3 PHE A 4 8.903 -2.248 -8.328 1.00 42.21 H new ATOM 0 HD1 PHE A 4 6.870 0.343 -6.544 1.00 12.24 H new ATOM 0 HD2 PHE A 4 9.936 -0.462 -9.388 1.00 25.41 H new ATOM 0 HE1 PHE A 4 7.001 2.736 -7.078 1.00 54.44 H new ATOM 0 HE2 PHE A 4 10.070 1.931 -9.926 1.00 21.13 H new ATOM 0 HZ PHE A 4 8.602 3.537 -8.770 1.00 22.04 H new ATOM 84 N ASP A 5 5.650 -2.660 -9.638 1.00 32.14 N ATOM 85 CA ASP A 5 5.312 -3.367 -10.868 1.00 23.14 C ATOM 86 C ASP A 5 6.239 -2.951 -12.005 1.00 65.34 C ATOM 87 O ASP A 5 5.938 -2.025 -12.759 1.00 72.24 O ATOM 88 CB ASP A 5 3.857 -3.096 -11.254 1.00 24.42 C ATOM 89 CG ASP A 5 2.988 -4.333 -11.138 1.00 12.22 C ATOM 90 OD1 ASP A 5 2.784 -4.811 -10.002 1.00 1.10 O ATOM 91 OD2 ASP A 5 2.510 -4.822 -12.183 1.00 2.14 O ATOM 0 H ASP A 5 5.069 -1.844 -9.448 1.00 32.14 H new ATOM 0 HA ASP A 5 5.439 -4.435 -10.691 1.00 23.14 H new ATOM 0 HB2 ASP A 5 3.454 -2.311 -10.614 1.00 24.42 H new ATOM 0 HB3 ASP A 5 3.819 -2.723 -12.278 1.00 24.42 H new ATOM 96 N LEU A 6 7.369 -3.640 -12.123 1.00 70.50 N ATOM 97 CA LEU A 6 8.342 -3.342 -13.168 1.00 72.45 C ATOM 98 C LEU A 6 7.938 -3.990 -14.489 1.00 55.21 C ATOM 99 O LEU A 6 8.598 -3.803 -15.511 1.00 51.11 O ATOM 100 CB LEU A 6 9.731 -3.829 -12.753 1.00 43.22 C ATOM 101 CG LEU A 6 10.581 -2.836 -11.959 1.00 54.42 C ATOM 102 CD1 LEU A 6 10.522 -1.455 -12.595 1.00 32.31 C ATOM 103 CD2 LEU A 6 10.119 -2.778 -10.510 1.00 53.24 C ATOM 0 H LEU A 6 7.634 -4.409 -11.508 1.00 70.50 H new ATOM 0 HA LEU A 6 8.369 -2.261 -13.307 1.00 72.45 H new ATOM 0 HB2 LEU A 6 9.614 -4.734 -12.157 1.00 43.22 H new ATOM 0 HB3 LEU A 6 10.280 -4.109 -13.652 1.00 43.22 H new ATOM 0 HG LEU A 6 11.616 -3.178 -11.976 1.00 54.42 H new ATOM 0 HD11 LEU A 6 11.133 -0.762 -12.017 1.00 32.31 H new ATOM 0 HD12 LEU A 6 10.901 -1.508 -13.616 1.00 32.31 H new ATOM 0 HD13 LEU A 6 9.490 -1.105 -12.609 1.00 32.31 H new ATOM 0 HD21 LEU A 6 10.735 -2.067 -9.960 1.00 53.24 H new ATOM 0 HD22 LEU A 6 9.077 -2.461 -10.473 1.00 53.24 H new ATOM 0 HD23 LEU A 6 10.214 -3.765 -10.058 1.00 53.24 H new ATOM 115 N ARG A 7 6.848 -4.750 -14.460 1.00 54.34 N ATOM 116 CA ARG A 7 6.355 -5.424 -15.655 1.00 55.24 C ATOM 117 C ARG A 7 6.263 -4.453 -16.829 1.00 11.43 C ATOM 118 O ARG A 7 6.921 -4.618 -17.856 1.00 52.01 O ATOM 119 CB ARG A 7 4.983 -6.046 -15.387 1.00 23.45 C ATOM 120 CG ARG A 7 4.927 -7.539 -15.667 1.00 34.22 C ATOM 121 CD ARG A 7 3.596 -8.136 -15.238 1.00 35.42 C ATOM 122 NE ARG A 7 2.503 -7.726 -16.116 1.00 0.33 N ATOM 123 CZ ARG A 7 1.220 -7.828 -15.789 1.00 74.51 C ATOM 124 NH1 ARG A 7 0.870 -8.326 -14.611 1.00 13.52 N ATOM 125 NH2 ARG A 7 0.283 -7.433 -16.642 1.00 20.11 N ATOM 0 H ARG A 7 6.290 -4.914 -13.622 1.00 54.34 H new ATOM 0 HA ARG A 7 7.061 -6.214 -15.912 1.00 55.24 H new ATOM 0 HB2 ARG A 7 4.710 -5.869 -14.347 1.00 23.45 H new ATOM 0 HB3 ARG A 7 4.238 -5.541 -16.002 1.00 23.45 H new ATOM 0 HG2 ARG A 7 5.081 -7.717 -16.731 1.00 34.22 H new ATOM 0 HG3 ARG A 7 5.739 -8.040 -15.140 1.00 34.22 H new ATOM 0 HD2 ARG A 7 3.671 -9.223 -15.236 1.00 35.42 H new ATOM 0 HD3 ARG A 7 3.374 -7.830 -14.216 1.00 35.42 H new ATOM 0 HE ARG A 7 2.738 -7.340 -17.030 1.00 0.33 H new ATOM 0 HH11 ARG A 7 1.587 -8.632 -13.953 1.00 13.52 H new ATOM 0 HH12 ARG A 7 -0.116 -8.403 -14.363 1.00 13.52 H new ATOM 0 HH21 ARG A 7 0.548 -7.051 -17.550 1.00 20.11 H new ATOM 0 HH22 ARG A 7 -0.702 -7.512 -16.390 1.00 20.11 H new ATOM 139 N PRO A 8 5.427 -3.415 -16.674 1.00 42.14 N ATOM 140 CA PRO A 8 5.229 -2.397 -17.710 1.00 45.15 C ATOM 141 C PRO A 8 6.456 -1.509 -17.892 1.00 14.42 C ATOM 142 O PRO A 8 6.498 -0.668 -18.791 1.00 3.30 O ATOM 143 CB PRO A 8 4.049 -1.578 -17.182 1.00 42.32 C ATOM 144 CG PRO A 8 4.090 -1.763 -15.705 1.00 25.24 C ATOM 145 CD PRO A 8 4.611 -3.155 -15.476 1.00 63.24 C ATOM 0 HA PRO A 8 5.052 -2.841 -18.690 1.00 45.15 H new ATOM 0 HB2 PRO A 8 4.145 -0.526 -17.452 1.00 42.32 H new ATOM 0 HB3 PRO A 8 3.105 -1.929 -17.599 1.00 42.32 H new ATOM 0 HG2 PRO A 8 4.738 -1.022 -15.237 1.00 25.24 H new ATOM 0 HG3 PRO A 8 3.099 -1.641 -15.269 1.00 25.24 H new ATOM 0 HD2 PRO A 8 5.205 -3.217 -14.564 1.00 63.24 H new ATOM 0 HD3 PRO A 8 3.800 -3.877 -15.378 1.00 63.24 H new ATOM 153 N LEU A 9 7.451 -1.700 -17.034 1.00 22.25 N ATOM 154 CA LEU A 9 8.680 -0.916 -17.099 1.00 73.25 C ATOM 155 C LEU A 9 9.702 -1.581 -18.016 1.00 34.42 C ATOM 156 O LEU A 9 10.895 -1.285 -17.952 1.00 51.11 O ATOM 157 CB LEU A 9 9.271 -0.740 -15.700 1.00 2.02 C ATOM 158 CG LEU A 9 9.270 0.685 -15.145 1.00 70.02 C ATOM 159 CD1 LEU A 9 8.312 0.799 -13.970 1.00 12.42 C ATOM 160 CD2 LEU A 9 10.675 1.098 -14.732 1.00 62.22 C ATOM 0 H LEU A 9 7.431 -2.391 -16.284 1.00 22.25 H new ATOM 0 HA LEU A 9 8.435 0.064 -17.509 1.00 73.25 H new ATOM 0 HB2 LEU A 9 8.717 -1.377 -15.011 1.00 2.02 H new ATOM 0 HB3 LEU A 9 10.299 -1.103 -15.713 1.00 2.02 H new ATOM 0 HG LEU A 9 8.931 1.360 -15.931 1.00 70.02 H new ATOM 0 HD11 LEU A 9 8.325 1.820 -13.588 1.00 12.42 H new ATOM 0 HD12 LEU A 9 7.303 0.546 -14.297 1.00 12.42 H new ATOM 0 HD13 LEU A 9 8.620 0.113 -13.181 1.00 12.42 H new ATOM 0 HD21 LEU A 9 10.655 2.115 -14.340 1.00 62.22 H new ATOM 0 HD22 LEU A 9 11.042 0.419 -13.962 1.00 62.22 H new ATOM 0 HD23 LEU A 9 11.336 1.056 -15.598 1.00 62.22 H new ATOM 172 N LYS A 10 9.226 -2.481 -18.870 1.00 35.12 N ATOM 173 CA LYS A 10 10.096 -3.187 -19.803 1.00 11.22 C ATOM 174 C LYS A 10 11.402 -3.593 -19.127 1.00 71.05 C ATOM 175 O LYS A 10 11.487 -3.645 -17.901 1.00 4.41 O ATOM 176 CB LYS A 10 10.391 -2.309 -21.021 1.00 10.52 C ATOM 177 CG LYS A 10 11.318 -1.144 -20.720 1.00 42.45 C ATOM 178 CD LYS A 10 11.716 -0.407 -21.988 1.00 43.42 C ATOM 179 CE LYS A 10 10.791 0.769 -22.264 1.00 33.53 C ATOM 180 NZ LYS A 10 11.355 1.691 -23.288 1.00 31.31 N ATOM 0 H LYS A 10 8.241 -2.739 -18.935 1.00 35.12 H new ATOM 0 HA LYS A 10 9.580 -4.090 -20.130 1.00 11.22 H new ATOM 0 HB2 LYS A 10 10.836 -2.924 -21.803 1.00 10.52 H new ATOM 0 HB3 LYS A 10 9.452 -1.922 -21.416 1.00 10.52 H new ATOM 0 HG2 LYS A 10 10.825 -0.453 -20.036 1.00 42.45 H new ATOM 0 HG3 LYS A 10 12.212 -1.510 -20.215 1.00 42.45 H new ATOM 0 HD2 LYS A 10 12.742 -0.050 -21.896 1.00 43.42 H new ATOM 0 HD3 LYS A 10 11.693 -1.096 -22.833 1.00 43.42 H new ATOM 0 HE2 LYS A 10 9.824 0.398 -22.603 1.00 33.53 H new ATOM 0 HE3 LYS A 10 10.616 1.318 -21.339 1.00 33.53 H new ATOM 0 HZ1 LYS A 10 10.695 2.479 -23.447 1.00 31.31 H new ATOM 0 HZ2 LYS A 10 12.266 2.065 -22.954 1.00 31.31 H new ATOM 0 HZ3 LYS A 10 11.499 1.174 -24.179 1.00 31.31 H new ATOM 194 N ALA A 11 12.417 -3.879 -19.936 1.00 71.22 N ATOM 195 CA ALA A 11 13.719 -4.277 -19.416 1.00 62.23 C ATOM 196 C ALA A 11 14.766 -3.200 -19.676 1.00 5.54 C ATOM 197 O ALA A 11 14.691 -2.472 -20.665 1.00 63.30 O ATOM 198 CB ALA A 11 14.153 -5.598 -20.035 1.00 45.40 C ATOM 0 H ALA A 11 12.362 -3.842 -20.954 1.00 71.22 H new ATOM 0 HA ALA A 11 13.628 -4.406 -18.337 1.00 62.23 H new ATOM 0 HB1 ALA A 11 15.127 -5.883 -19.638 1.00 45.40 H new ATOM 0 HB2 ALA A 11 13.422 -6.370 -19.794 1.00 45.40 H new ATOM 0 HB3 ALA A 11 14.221 -5.488 -21.117 1.00 45.40 H new ATOM 204 N GLY A 12 15.743 -3.102 -18.779 1.00 4.12 N ATOM 205 CA GLY A 12 16.791 -2.109 -18.929 1.00 25.44 C ATOM 206 C GLY A 12 16.629 -0.945 -17.971 1.00 72.44 C ATOM 207 O GLY A 12 17.592 -0.519 -17.333 1.00 53.23 O ATOM 0 H GLY A 12 15.827 -3.692 -17.952 1.00 4.12 H new ATOM 0 HA2 GLY A 12 17.760 -2.580 -18.763 1.00 25.44 H new ATOM 0 HA3 GLY A 12 16.789 -1.736 -19.953 1.00 25.44 H new ATOM 211 N ILE A 13 15.408 -0.429 -17.872 1.00 24.30 N ATOM 212 CA ILE A 13 15.124 0.693 -16.986 1.00 71.23 C ATOM 213 C ILE A 13 14.471 0.220 -15.692 1.00 71.30 C ATOM 214 O ILE A 13 14.559 0.886 -14.660 1.00 72.51 O ATOM 215 CB ILE A 13 14.205 1.726 -17.664 1.00 74.00 C ATOM 216 CG1 ILE A 13 14.558 1.860 -19.147 1.00 11.23 C ATOM 217 CG2 ILE A 13 14.314 3.072 -16.964 1.00 2.22 C ATOM 218 CD1 ILE A 13 13.739 2.906 -19.871 1.00 20.04 C ATOM 0 H ILE A 13 14.601 -0.770 -18.394 1.00 24.30 H new ATOM 0 HA ILE A 13 16.080 1.164 -16.756 1.00 71.23 H new ATOM 0 HB ILE A 13 13.174 1.380 -17.585 1.00 74.00 H new ATOM 0 HG12 ILE A 13 15.615 2.110 -19.239 1.00 11.23 H new ATOM 0 HG13 ILE A 13 14.414 0.896 -19.635 1.00 11.23 H new ATOM 0 HG21 ILE A 13 13.659 3.791 -17.455 1.00 2.22 H new ATOM 0 HG22 ILE A 13 14.018 2.964 -15.920 1.00 2.22 H new ATOM 0 HG23 ILE A 13 15.344 3.426 -17.014 1.00 2.22 H new ATOM 0 HD11 ILE A 13 14.043 2.946 -20.917 1.00 20.04 H new ATOM 0 HD12 ILE A 13 12.682 2.647 -19.810 1.00 20.04 H new ATOM 0 HD13 ILE A 13 13.901 3.880 -19.408 1.00 20.04 H new ATOM 230 N PHE A 14 13.817 -0.936 -15.754 1.00 0.44 N ATOM 231 CA PHE A 14 13.149 -1.499 -14.586 1.00 64.31 C ATOM 232 C PHE A 14 14.133 -1.687 -13.435 1.00 22.12 C ATOM 233 O PHE A 14 13.758 -1.609 -12.266 1.00 13.23 O ATOM 234 CB PHE A 14 12.500 -2.839 -14.941 1.00 3.23 C ATOM 235 CG PHE A 14 13.470 -3.985 -14.972 1.00 61.22 C ATOM 236 CD1 PHE A 14 14.556 -3.968 -15.833 1.00 12.03 C ATOM 237 CD2 PHE A 14 13.296 -5.080 -14.142 1.00 34.54 C ATOM 238 CE1 PHE A 14 15.450 -5.021 -15.864 1.00 65.21 C ATOM 239 CE2 PHE A 14 14.187 -6.136 -14.168 1.00 61.32 C ATOM 240 CZ PHE A 14 15.265 -6.107 -15.031 1.00 61.23 C ATOM 0 H PHE A 14 13.736 -1.500 -16.600 1.00 0.44 H new ATOM 0 HA PHE A 14 12.375 -0.800 -14.269 1.00 64.31 H new ATOM 0 HB2 PHE A 14 11.715 -3.057 -14.216 1.00 3.23 H new ATOM 0 HB3 PHE A 14 12.019 -2.754 -15.915 1.00 3.23 H new ATOM 0 HD1 PHE A 14 14.705 -3.122 -16.487 1.00 12.03 H new ATOM 0 HD2 PHE A 14 12.454 -5.109 -13.466 1.00 34.54 H new ATOM 0 HE1 PHE A 14 16.293 -4.995 -16.539 1.00 65.21 H new ATOM 0 HE2 PHE A 14 14.041 -6.983 -13.514 1.00 61.32 H new ATOM 0 HZ PHE A 14 15.962 -6.932 -15.054 1.00 61.23 H new ATOM 250 N GLU A 15 15.394 -1.936 -13.776 1.00 53.30 N ATOM 251 CA GLU A 15 16.431 -2.136 -12.771 1.00 61.10 C ATOM 252 C GLU A 15 16.922 -0.800 -12.222 1.00 10.32 C ATOM 253 O GLU A 15 17.576 -0.747 -11.180 1.00 65.34 O ATOM 254 CB GLU A 15 17.604 -2.917 -13.366 1.00 25.51 C ATOM 255 CG GLU A 15 18.776 -3.076 -12.412 1.00 4.22 C ATOM 256 CD GLU A 15 19.973 -2.235 -12.813 1.00 61.53 C ATOM 257 OE1 GLU A 15 20.434 -2.371 -13.966 1.00 12.51 O ATOM 258 OE2 GLU A 15 20.449 -1.442 -11.974 1.00 34.31 O ATOM 0 H GLU A 15 15.721 -2.004 -14.740 1.00 53.30 H new ATOM 0 HA GLU A 15 16.000 -2.710 -11.950 1.00 61.10 H new ATOM 0 HB2 GLU A 15 17.256 -3.905 -13.668 1.00 25.51 H new ATOM 0 HB3 GLU A 15 17.947 -2.410 -14.268 1.00 25.51 H new ATOM 0 HG2 GLU A 15 18.461 -2.797 -11.406 1.00 4.22 H new ATOM 0 HG3 GLU A 15 19.070 -4.125 -12.375 1.00 4.22 H new ATOM 265 N ARG A 16 16.601 0.278 -12.930 1.00 44.12 N ATOM 266 CA ARG A 16 17.011 1.614 -12.516 1.00 13.54 C ATOM 267 C ARG A 16 15.918 2.286 -11.689 1.00 20.34 C ATOM 268 O ARG A 16 16.196 3.153 -10.859 1.00 64.31 O ATOM 269 CB ARG A 16 17.339 2.473 -13.738 1.00 65.35 C ATOM 270 CG ARG A 16 18.810 2.448 -14.122 1.00 50.23 C ATOM 271 CD ARG A 16 18.993 2.514 -15.630 1.00 63.55 C ATOM 272 NE ARG A 16 19.578 3.782 -16.056 1.00 54.44 N ATOM 273 CZ ARG A 16 20.093 3.986 -17.264 1.00 31.33 C ATOM 274 NH1 ARG A 16 20.096 3.009 -18.160 1.00 75.21 N ATOM 275 NH2 ARG A 16 20.606 5.169 -17.577 1.00 24.53 N ATOM 0 H ARG A 16 16.058 0.252 -13.793 1.00 44.12 H new ATOM 0 HA ARG A 16 17.904 1.517 -11.899 1.00 13.54 H new ATOM 0 HB2 ARG A 16 16.745 2.128 -14.584 1.00 65.35 H new ATOM 0 HB3 ARG A 16 17.042 3.502 -13.539 1.00 65.35 H new ATOM 0 HG2 ARG A 16 19.323 3.288 -13.655 1.00 50.23 H new ATOM 0 HG3 ARG A 16 19.272 1.539 -13.738 1.00 50.23 H new ATOM 0 HD2 ARG A 16 19.633 1.693 -15.954 1.00 63.55 H new ATOM 0 HD3 ARG A 16 18.028 2.378 -16.118 1.00 63.55 H new ATOM 0 HE ARG A 16 19.592 4.554 -15.390 1.00 54.44 H new ATOM 0 HH11 ARG A 16 19.702 2.098 -17.923 1.00 75.21 H new ATOM 0 HH12 ARG A 16 20.492 3.168 -19.087 1.00 75.21 H new ATOM 0 HH21 ARG A 16 20.605 5.923 -16.890 1.00 24.53 H new ATOM 0 HH22 ARG A 16 21.001 5.324 -18.504 1.00 24.53 H new ATOM 289 N LEU A 17 14.675 1.880 -11.920 1.00 74.15 N ATOM 290 CA LEU A 17 13.539 2.442 -11.198 1.00 10.15 C ATOM 291 C LEU A 17 13.404 1.807 -9.817 1.00 73.03 C ATOM 292 O LEU A 17 12.927 2.441 -8.877 1.00 31.34 O ATOM 293 CB LEU A 17 12.250 2.237 -11.995 1.00 34.35 C ATOM 294 CG LEU A 17 11.626 3.496 -12.599 1.00 24.51 C ATOM 295 CD1 LEU A 17 11.379 4.539 -11.521 1.00 4.32 C ATOM 296 CD2 LEU A 17 12.519 4.059 -13.695 1.00 1.11 C ATOM 0 H LEU A 17 14.428 1.163 -12.602 1.00 74.15 H new ATOM 0 HA LEU A 17 13.713 3.510 -11.071 1.00 10.15 H new ATOM 0 HB2 LEU A 17 12.454 1.534 -12.802 1.00 34.35 H new ATOM 0 HB3 LEU A 17 11.514 1.768 -11.342 1.00 34.35 H new ATOM 0 HG LEU A 17 10.667 3.228 -13.041 1.00 24.51 H new ATOM 0 HD11 LEU A 17 10.935 5.428 -11.969 1.00 4.32 H new ATOM 0 HD12 LEU A 17 10.700 4.133 -10.771 1.00 4.32 H new ATOM 0 HD13 LEU A 17 12.325 4.805 -11.049 1.00 4.32 H new ATOM 0 HD21 LEU A 17 12.060 4.955 -14.114 1.00 1.11 H new ATOM 0 HD22 LEU A 17 13.493 4.312 -13.276 1.00 1.11 H new ATOM 0 HD23 LEU A 17 12.644 3.314 -14.481 1.00 1.11 H new ATOM 308 N GLU A 18 13.829 0.552 -9.705 1.00 12.45 N ATOM 309 CA GLU A 18 13.756 -0.167 -8.438 1.00 71.13 C ATOM 310 C GLU A 18 14.439 0.621 -7.325 1.00 23.04 C ATOM 311 O GLU A 18 14.098 0.479 -6.151 1.00 12.10 O ATOM 312 CB GLU A 18 14.403 -1.547 -8.573 1.00 31.25 C ATOM 313 CG GLU A 18 13.490 -2.690 -8.160 1.00 44.01 C ATOM 314 CD GLU A 18 13.347 -3.742 -9.243 1.00 25.24 C ATOM 315 OE1 GLU A 18 13.276 -3.364 -10.431 1.00 32.02 O ATOM 316 OE2 GLU A 18 13.307 -4.943 -8.902 1.00 41.22 O ATOM 0 H GLU A 18 14.227 0.013 -10.474 1.00 12.45 H new ATOM 0 HA GLU A 18 12.704 -0.290 -8.179 1.00 71.13 H new ATOM 0 HB2 GLU A 18 14.711 -1.695 -9.608 1.00 31.25 H new ATOM 0 HB3 GLU A 18 15.307 -1.577 -7.964 1.00 31.25 H new ATOM 0 HG2 GLU A 18 13.883 -3.155 -7.256 1.00 44.01 H new ATOM 0 HG3 GLU A 18 12.506 -2.293 -7.912 1.00 44.01 H new ATOM 323 N GLU A 19 15.407 1.451 -7.703 1.00 34.15 N ATOM 324 CA GLU A 19 16.139 2.260 -6.736 1.00 11.34 C ATOM 325 C GLU A 19 15.317 3.473 -6.308 1.00 45.33 C ATOM 326 O GLU A 19 15.430 3.946 -5.176 1.00 51.25 O ATOM 327 CB GLU A 19 17.474 2.717 -7.327 1.00 1.42 C ATOM 328 CG GLU A 19 18.194 3.751 -6.477 1.00 61.20 C ATOM 329 CD GLU A 19 18.180 5.132 -7.102 1.00 13.42 C ATOM 330 OE1 GLU A 19 18.623 5.264 -8.262 1.00 13.33 O ATOM 331 OE2 GLU A 19 17.725 6.082 -6.430 1.00 34.10 O ATOM 0 H GLU A 19 15.702 1.580 -8.671 1.00 34.15 H new ATOM 0 HA GLU A 19 16.331 1.645 -5.857 1.00 11.34 H new ATOM 0 HB2 GLU A 19 18.121 1.849 -7.454 1.00 1.42 H new ATOM 0 HB3 GLU A 19 17.299 3.133 -8.319 1.00 1.42 H new ATOM 0 HG2 GLU A 19 17.726 3.797 -5.493 1.00 61.20 H new ATOM 0 HG3 GLU A 19 19.226 3.436 -6.325 1.00 61.20 H new ATOM 338 N LEU A 20 14.492 3.973 -7.222 1.00 20.45 N ATOM 339 CA LEU A 20 13.651 5.131 -6.941 1.00 1.21 C ATOM 340 C LEU A 20 12.613 4.804 -5.873 1.00 14.33 C ATOM 341 O LEU A 20 12.210 5.673 -5.099 1.00 15.13 O ATOM 342 CB LEU A 20 12.954 5.602 -8.219 1.00 23.22 C ATOM 343 CG LEU A 20 13.437 6.934 -8.795 1.00 34.42 C ATOM 344 CD1 LEU A 20 14.463 6.700 -9.892 1.00 50.04 C ATOM 345 CD2 LEU A 20 12.261 7.742 -9.324 1.00 44.53 C ATOM 0 H LEU A 20 14.388 3.595 -8.163 1.00 20.45 H new ATOM 0 HA LEU A 20 14.290 5.931 -6.567 1.00 1.21 H new ATOM 0 HB2 LEU A 20 13.078 4.833 -8.981 1.00 23.22 H new ATOM 0 HB3 LEU A 20 11.886 5.682 -8.018 1.00 23.22 H new ATOM 0 HG LEU A 20 13.914 7.503 -7.997 1.00 34.42 H new ATOM 0 HD11 LEU A 20 14.795 7.659 -10.290 1.00 50.04 H new ATOM 0 HD12 LEU A 20 15.317 6.162 -9.482 1.00 50.04 H new ATOM 0 HD13 LEU A 20 14.013 6.112 -10.692 1.00 50.04 H new ATOM 0 HD21 LEU A 20 12.622 8.687 -9.730 1.00 44.53 H new ATOM 0 HD22 LEU A 20 11.756 7.179 -10.109 1.00 44.53 H new ATOM 0 HD23 LEU A 20 11.561 7.940 -8.512 1.00 44.53 H new ATOM 357 N ILE A 21 12.185 3.547 -5.835 1.00 64.34 N ATOM 358 CA ILE A 21 11.197 3.105 -4.860 1.00 34.12 C ATOM 359 C ILE A 21 11.864 2.665 -3.561 1.00 41.51 C ATOM 360 O ILE A 21 11.291 2.802 -2.481 1.00 3.43 O ATOM 361 CB ILE A 21 10.347 1.942 -5.406 1.00 41.32 C ATOM 362 CG1 ILE A 21 9.290 1.528 -4.380 1.00 42.12 C ATOM 363 CG2 ILE A 21 11.235 0.761 -5.766 1.00 63.22 C ATOM 364 CD1 ILE A 21 8.348 2.648 -3.998 1.00 31.23 C ATOM 0 H ILE A 21 12.508 2.816 -6.469 1.00 64.34 H new ATOM 0 HA ILE A 21 10.547 3.958 -4.662 1.00 34.12 H new ATOM 0 HB ILE A 21 9.837 2.277 -6.309 1.00 41.32 H new ATOM 0 HG12 ILE A 21 8.710 0.698 -4.783 1.00 42.12 H new ATOM 0 HG13 ILE A 21 9.790 1.162 -3.483 1.00 42.12 H new ATOM 0 HG21 ILE A 21 10.620 -0.053 -6.150 1.00 63.22 H new ATOM 0 HG22 ILE A 21 11.953 1.064 -6.528 1.00 63.22 H new ATOM 0 HG23 ILE A 21 11.770 0.424 -4.878 1.00 63.22 H new ATOM 0 HD11 ILE A 21 7.626 2.283 -3.268 1.00 31.23 H new ATOM 0 HD12 ILE A 21 8.917 3.471 -3.565 1.00 31.23 H new ATOM 0 HD13 ILE A 21 7.821 2.999 -4.885 1.00 31.23 H new ATOM 376 N GLU A 22 13.079 2.139 -3.675 1.00 62.43 N ATOM 377 CA GLU A 22 13.825 1.680 -2.509 1.00 40.12 C ATOM 378 C GLU A 22 13.953 2.793 -1.473 1.00 44.23 C ATOM 379 O GLU A 22 14.038 2.533 -0.273 1.00 12.53 O ATOM 380 CB GLU A 22 15.215 1.192 -2.924 1.00 54.13 C ATOM 381 CG GLU A 22 15.278 -0.301 -3.199 1.00 24.03 C ATOM 382 CD GLU A 22 14.663 -1.126 -2.085 1.00 0.21 C ATOM 383 OE1 GLU A 22 14.606 -0.628 -0.941 1.00 2.11 O ATOM 384 OE2 GLU A 22 14.239 -2.268 -2.357 1.00 32.22 O ATOM 0 H GLU A 22 13.568 2.020 -4.562 1.00 62.43 H new ATOM 0 HA GLU A 22 13.276 0.851 -2.061 1.00 40.12 H new ATOM 0 HB2 GLU A 22 15.528 1.731 -3.818 1.00 54.13 H new ATOM 0 HB3 GLU A 22 15.928 1.438 -2.137 1.00 54.13 H new ATOM 0 HG2 GLU A 22 14.761 -0.517 -4.134 1.00 24.03 H new ATOM 0 HG3 GLU A 22 16.318 -0.598 -3.334 1.00 24.03 H new ATOM 391 N LYS A 23 13.968 4.035 -1.946 1.00 70.24 N ATOM 392 CA LYS A 23 14.085 5.189 -1.064 1.00 3.24 C ATOM 393 C LYS A 23 12.851 5.325 -0.178 1.00 74.22 C ATOM 394 O LYS A 23 12.951 5.703 0.988 1.00 24.14 O ATOM 395 CB LYS A 23 14.281 6.466 -1.884 1.00 14.54 C ATOM 396 CG LYS A 23 15.690 7.027 -1.810 1.00 65.32 C ATOM 397 CD LYS A 23 15.832 8.291 -2.641 1.00 10.33 C ATOM 398 CE LYS A 23 15.695 9.540 -1.783 1.00 23.22 C ATOM 399 NZ LYS A 23 14.275 9.967 -1.647 1.00 21.51 N ATOM 0 H LYS A 23 13.900 4.268 -2.937 1.00 70.24 H new ATOM 0 HA LYS A 23 14.954 5.039 -0.424 1.00 3.24 H new ATOM 0 HB2 LYS A 23 14.035 6.260 -2.926 1.00 14.54 H new ATOM 0 HB3 LYS A 23 13.579 7.223 -1.535 1.00 14.54 H new ATOM 0 HG2 LYS A 23 15.942 7.243 -0.772 1.00 65.32 H new ATOM 0 HG3 LYS A 23 16.400 6.278 -2.161 1.00 65.32 H new ATOM 0 HD2 LYS A 23 16.802 8.294 -3.138 1.00 10.33 H new ATOM 0 HD3 LYS A 23 15.073 8.301 -3.423 1.00 10.33 H new ATOM 0 HE2 LYS A 23 16.113 9.349 -0.795 1.00 23.22 H new ATOM 0 HE3 LYS A 23 16.277 10.349 -2.224 1.00 23.22 H new ATOM 0 HZ1 LYS A 23 14.207 10.996 -1.785 1.00 21.51 H new ATOM 0 HZ2 LYS A 23 13.697 9.483 -2.363 1.00 21.51 H new ATOM 0 HZ3 LYS A 23 13.928 9.721 -0.698 1.00 21.51 H new ATOM 413 N GLU A 24 11.687 5.012 -0.741 1.00 3.23 N ATOM 414 CA GLU A 24 10.434 5.099 -0.001 1.00 11.15 C ATOM 415 C GLU A 24 10.302 3.941 0.985 1.00 44.24 C ATOM 416 O GLU A 24 9.832 4.119 2.108 1.00 72.43 O ATOM 417 CB GLU A 24 9.246 5.101 -0.965 1.00 34.54 C ATOM 418 CG GLU A 24 8.339 6.310 -0.811 1.00 73.10 C ATOM 419 CD GLU A 24 6.949 5.940 -0.329 1.00 25.21 C ATOM 420 OE1 GLU A 24 6.357 4.996 -0.892 1.00 62.03 O ATOM 421 OE2 GLU A 24 6.455 6.595 0.613 1.00 71.24 O ATOM 0 H GLU A 24 11.587 4.696 -1.706 1.00 3.23 H new ATOM 0 HA GLU A 24 10.438 6.033 0.561 1.00 11.15 H new ATOM 0 HB2 GLU A 24 9.619 5.066 -1.988 1.00 34.54 H new ATOM 0 HB3 GLU A 24 8.660 4.195 -0.808 1.00 34.54 H new ATOM 0 HG2 GLU A 24 8.789 7.010 -0.107 1.00 73.10 H new ATOM 0 HG3 GLU A 24 8.262 6.826 -1.768 1.00 73.10 H new ATOM 428 N MET A 25 10.721 2.756 0.554 1.00 21.52 N ATOM 429 CA MET A 25 10.651 1.568 1.398 1.00 12.31 C ATOM 430 C MET A 25 11.490 1.747 2.659 1.00 12.34 C ATOM 431 O MET A 25 12.549 2.372 2.626 1.00 4.24 O ATOM 432 CB MET A 25 11.128 0.338 0.625 1.00 61.44 C ATOM 433 CG MET A 25 10.356 0.091 -0.661 1.00 74.30 C ATOM 434 SD MET A 25 8.598 -0.189 -0.372 1.00 71.34 S ATOM 435 CE MET A 25 8.658 -1.553 0.787 1.00 23.11 C ATOM 0 H MET A 25 11.112 2.592 -0.374 1.00 21.52 H new ATOM 0 HA MET A 25 9.611 1.423 1.692 1.00 12.31 H new ATOM 0 HB2 MET A 25 12.185 0.456 0.387 1.00 61.44 H new ATOM 0 HB3 MET A 25 11.041 -0.540 1.265 1.00 61.44 H new ATOM 0 HG2 MET A 25 10.479 0.947 -1.325 1.00 74.30 H new ATOM 0 HG3 MET A 25 10.778 -0.773 -1.174 1.00 74.30 H new ATOM 0 HE1 MET A 25 7.941 -2.317 0.487 1.00 23.11 H new ATOM 0 HE2 MET A 25 9.661 -1.980 0.795 1.00 23.11 H new ATOM 0 HE3 MET A 25 8.409 -1.193 1.785 1.00 23.11 H new ATOM 445 N GLN A 26 11.008 1.196 3.768 1.00 21.55 N ATOM 446 CA GLN A 26 11.714 1.296 5.040 1.00 4.12 C ATOM 447 C GLN A 26 13.080 0.621 4.959 1.00 12.54 C ATOM 448 O GLN A 26 13.346 -0.192 4.074 1.00 1.23 O ATOM 449 CB GLN A 26 10.885 0.664 6.159 1.00 23.05 C ATOM 450 CG GLN A 26 10.262 1.680 7.103 1.00 22.12 C ATOM 451 CD GLN A 26 10.513 1.352 8.562 1.00 72.11 C ATOM 452 OE1 GLN A 26 10.762 0.200 8.917 1.00 23.40 O ATOM 453 NE2 GLN A 26 10.448 2.366 9.417 1.00 52.14 N ATOM 0 H GLN A 26 10.132 0.676 3.812 1.00 21.55 H new ATOM 0 HA GLN A 26 11.864 2.353 5.261 1.00 4.12 H new ATOM 0 HB2 GLN A 26 10.094 0.059 5.716 1.00 23.05 H new ATOM 0 HB3 GLN A 26 11.520 -0.011 6.733 1.00 23.05 H new ATOM 0 HG2 GLN A 26 10.664 2.669 6.883 1.00 22.12 H new ATOM 0 HG3 GLN A 26 9.188 1.725 6.924 1.00 22.12 H new ATOM 0 HE21 GLN A 26 10.239 3.305 9.079 1.00 52.14 H new ATOM 0 HE22 GLN A 26 10.608 2.205 10.412 1.00 52.14 H new ATOM 462 N PRO A 27 13.967 0.966 5.904 1.00 22.45 N ATOM 463 CA PRO A 27 15.320 0.405 5.962 1.00 63.53 C ATOM 464 C PRO A 27 15.321 -1.068 6.359 1.00 50.33 C ATOM 465 O PRO A 27 16.363 -1.721 6.353 1.00 23.12 O ATOM 466 CB PRO A 27 16.009 1.249 7.037 1.00 61.40 C ATOM 467 CG PRO A 27 14.900 1.740 7.901 1.00 55.41 C ATOM 468 CD PRO A 27 13.718 1.929 6.990 1.00 32.42 C ATOM 0 HA PRO A 27 15.816 0.438 4.992 1.00 63.53 H new ATOM 0 HB2 PRO A 27 16.723 0.656 7.608 1.00 61.40 H new ATOM 0 HB3 PRO A 27 16.563 2.077 6.595 1.00 61.40 H new ATOM 0 HG2 PRO A 27 14.674 1.023 8.690 1.00 55.41 H new ATOM 0 HG3 PRO A 27 15.171 2.676 8.389 1.00 55.41 H new ATOM 0 HD2 PRO A 27 12.778 1.723 7.503 1.00 32.42 H new ATOM 0 HD3 PRO A 27 13.659 2.951 6.615 1.00 32.42 H new ATOM 476 N ASN A 28 14.145 -1.584 6.702 1.00 4.23 N ATOM 477 CA ASN A 28 14.011 -2.980 7.102 1.00 0.13 C ATOM 478 C ASN A 28 12.662 -3.544 6.665 1.00 3.43 C ATOM 479 O ASN A 28 12.062 -4.356 7.367 1.00 30.43 O ATOM 480 CB ASN A 28 14.166 -3.115 8.618 1.00 13.24 C ATOM 481 CG ASN A 28 14.902 -4.380 9.014 1.00 34.51 C ATOM 482 OD1 ASN A 28 16.124 -4.381 9.162 1.00 52.24 O ATOM 483 ND2 ASN A 28 14.158 -5.467 9.188 1.00 62.13 N ATOM 0 H ASN A 28 13.272 -1.057 6.711 1.00 4.23 H new ATOM 0 HA ASN A 28 14.800 -3.550 6.611 1.00 0.13 H new ATOM 0 HB2 ASN A 28 14.704 -2.249 9.004 1.00 13.24 H new ATOM 0 HB3 ASN A 28 13.180 -3.111 9.083 1.00 13.24 H new ATOM 0 HD21 ASN A 28 14.597 -6.348 9.455 1.00 62.13 H new ATOM 0 HD22 ASN A 28 13.148 -5.420 9.055 1.00 62.13 H new ATOM 490 N GLU A 29 12.193 -3.106 5.501 1.00 43.11 N ATOM 491 CA GLU A 29 10.916 -3.567 4.971 1.00 75.11 C ATOM 492 C GLU A 29 11.121 -4.427 3.727 1.00 11.00 C ATOM 493 O GLU A 29 12.210 -4.459 3.153 1.00 13.43 O ATOM 494 CB GLU A 29 10.016 -2.375 4.637 1.00 3.13 C ATOM 495 CG GLU A 29 8.877 -2.178 5.623 1.00 54.43 C ATOM 496 CD GLU A 29 7.702 -1.436 5.015 1.00 72.10 C ATOM 497 OE1 GLU A 29 7.928 -0.382 4.384 1.00 24.14 O ATOM 498 OE2 GLU A 29 6.557 -1.909 5.170 1.00 53.01 O ATOM 0 H GLU A 29 12.678 -2.433 4.908 1.00 43.11 H new ATOM 0 HA GLU A 29 10.433 -4.175 5.736 1.00 75.11 H new ATOM 0 HB2 GLU A 29 10.622 -1.469 4.609 1.00 3.13 H new ATOM 0 HB3 GLU A 29 9.601 -2.512 3.638 1.00 3.13 H new ATOM 0 HG2 GLU A 29 8.541 -3.150 5.983 1.00 54.43 H new ATOM 0 HG3 GLU A 29 9.242 -1.626 6.489 1.00 54.43 H new ATOM 505 N VAL A 30 10.066 -5.124 3.316 1.00 24.10 N ATOM 506 CA VAL A 30 10.130 -5.984 2.140 1.00 34.35 C ATOM 507 C VAL A 30 9.605 -5.264 0.904 1.00 75.04 C ATOM 508 O VAL A 30 8.660 -4.479 0.984 1.00 23.00 O ATOM 509 CB VAL A 30 9.322 -7.279 2.348 1.00 30.25 C ATOM 510 CG1 VAL A 30 7.848 -7.042 2.056 1.00 62.52 C ATOM 511 CG2 VAL A 30 9.874 -8.397 1.477 1.00 43.12 C ATOM 0 H VAL A 30 9.158 -5.110 3.780 1.00 24.10 H new ATOM 0 HA VAL A 30 11.179 -6.239 1.990 1.00 34.35 H new ATOM 0 HB VAL A 30 9.416 -7.582 3.391 1.00 30.25 H new ATOM 0 HG11 VAL A 30 7.293 -7.968 2.208 1.00 62.52 H new ATOM 0 HG12 VAL A 30 7.463 -6.274 2.727 1.00 62.52 H new ATOM 0 HG13 VAL A 30 7.730 -6.714 1.023 1.00 62.52 H new ATOM 0 HG21 VAL A 30 9.291 -9.304 1.637 1.00 43.12 H new ATOM 0 HG22 VAL A 30 9.812 -8.106 0.428 1.00 43.12 H new ATOM 0 HG23 VAL A 30 10.915 -8.583 1.741 1.00 43.12 H new ATOM 521 N ALA A 31 10.223 -5.537 -0.241 1.00 20.15 N ATOM 522 CA ALA A 31 9.817 -4.917 -1.496 1.00 35.24 C ATOM 523 C ALA A 31 9.586 -5.967 -2.577 1.00 63.12 C ATOM 524 O ALA A 31 10.514 -6.669 -2.981 1.00 72.21 O ATOM 525 CB ALA A 31 10.862 -3.909 -1.949 1.00 63.55 C ATOM 0 H ALA A 31 11.007 -6.184 -0.325 1.00 20.15 H new ATOM 0 HA ALA A 31 8.875 -4.395 -1.327 1.00 35.24 H new ATOM 0 HB1 ALA A 31 10.546 -3.454 -2.888 1.00 63.55 H new ATOM 0 HB2 ALA A 31 10.974 -3.135 -1.190 1.00 63.55 H new ATOM 0 HB3 ALA A 31 11.816 -4.415 -2.095 1.00 63.55 H new ATOM 531 N ILE A 32 8.346 -6.069 -3.041 1.00 75.34 N ATOM 532 CA ILE A 32 7.995 -7.034 -4.077 1.00 13.34 C ATOM 533 C ILE A 32 8.106 -6.414 -5.465 1.00 71.15 C ATOM 534 O ILE A 32 7.258 -5.619 -5.872 1.00 61.32 O ATOM 535 CB ILE A 32 6.566 -7.575 -3.881 1.00 2.20 C ATOM 536 CG1 ILE A 32 6.525 -8.556 -2.708 1.00 24.41 C ATOM 537 CG2 ILE A 32 6.074 -8.244 -5.156 1.00 0.33 C ATOM 538 CD1 ILE A 32 5.432 -8.256 -1.707 1.00 32.42 C ATOM 0 H ILE A 32 7.567 -5.496 -2.717 1.00 75.34 H new ATOM 0 HA ILE A 32 8.702 -7.859 -3.993 1.00 13.34 H new ATOM 0 HB ILE A 32 5.904 -6.739 -3.654 1.00 2.20 H new ATOM 0 HG12 ILE A 32 6.386 -9.566 -3.094 1.00 24.41 H new ATOM 0 HG13 ILE A 32 7.488 -8.540 -2.198 1.00 24.41 H new ATOM 0 HG21 ILE A 32 5.063 -8.621 -5.002 1.00 0.33 H new ATOM 0 HG22 ILE A 32 6.071 -7.519 -5.970 1.00 0.33 H new ATOM 0 HG23 ILE A 32 6.735 -9.072 -5.411 1.00 0.33 H new ATOM 0 HD11 ILE A 32 5.463 -8.992 -0.903 1.00 32.42 H new ATOM 0 HD12 ILE A 32 5.582 -7.259 -1.293 1.00 32.42 H new ATOM 0 HD13 ILE A 32 4.462 -8.301 -2.203 1.00 32.42 H new ATOM 550 N PHE A 33 9.156 -6.785 -6.190 1.00 43.33 N ATOM 551 CA PHE A 33 9.379 -6.266 -7.535 1.00 75.20 C ATOM 552 C PHE A 33 8.998 -7.303 -8.588 1.00 20.44 C ATOM 553 O PHE A 33 9.567 -8.394 -8.634 1.00 11.42 O ATOM 554 CB PHE A 33 10.842 -5.857 -7.711 1.00 64.35 C ATOM 555 CG PHE A 33 11.331 -4.907 -6.656 1.00 13.11 C ATOM 556 CD1 PHE A 33 10.531 -3.862 -6.222 1.00 73.02 C ATOM 557 CD2 PHE A 33 12.589 -5.059 -6.097 1.00 44.40 C ATOM 558 CE1 PHE A 33 10.978 -2.986 -5.252 1.00 0.43 C ATOM 559 CE2 PHE A 33 13.042 -4.185 -5.126 1.00 30.53 C ATOM 560 CZ PHE A 33 12.235 -3.148 -4.702 1.00 34.21 C ATOM 0 H PHE A 33 9.866 -7.443 -5.869 1.00 43.33 H new ATOM 0 HA PHE A 33 8.746 -5.389 -7.669 1.00 75.20 H new ATOM 0 HB2 PHE A 33 11.465 -6.752 -7.700 1.00 64.35 H new ATOM 0 HB3 PHE A 33 10.966 -5.395 -8.690 1.00 64.35 H new ATOM 0 HD1 PHE A 33 9.547 -3.731 -6.647 1.00 73.02 H new ATOM 0 HD2 PHE A 33 13.224 -5.870 -6.423 1.00 44.40 H new ATOM 0 HE1 PHE A 33 10.345 -2.175 -4.924 1.00 0.43 H new ATOM 0 HE2 PHE A 33 14.026 -4.313 -4.700 1.00 30.53 H new ATOM 0 HZ PHE A 33 12.586 -2.465 -3.942 1.00 34.21 H new ATOM 570 N MET A 34 8.031 -6.955 -9.431 1.00 5.04 N ATOM 571 CA MET A 34 7.575 -7.855 -10.483 1.00 71.12 C ATOM 572 C MET A 34 8.395 -7.665 -11.755 1.00 4.20 C ATOM 573 O MET A 34 8.572 -6.543 -12.229 1.00 42.44 O ATOM 574 CB MET A 34 6.093 -7.619 -10.779 1.00 15.54 C ATOM 575 CG MET A 34 5.226 -7.560 -9.531 1.00 60.50 C ATOM 576 SD MET A 34 3.613 -8.329 -9.770 1.00 34.35 S ATOM 577 CE MET A 34 3.170 -8.719 -8.078 1.00 53.43 C ATOM 0 H MET A 34 7.549 -6.057 -9.406 1.00 5.04 H new ATOM 0 HA MET A 34 7.710 -8.879 -10.134 1.00 71.12 H new ATOM 0 HB2 MET A 34 5.985 -6.685 -11.331 1.00 15.54 H new ATOM 0 HB3 MET A 34 5.729 -8.416 -11.427 1.00 15.54 H new ATOM 0 HG2 MET A 34 5.743 -8.057 -8.710 1.00 60.50 H new ATOM 0 HG3 MET A 34 5.088 -6.519 -9.238 1.00 60.50 H new ATOM 0 HE1 MET A 34 2.628 -9.664 -8.052 1.00 53.43 H new ATOM 0 HE2 MET A 34 4.074 -8.803 -7.475 1.00 53.43 H new ATOM 0 HE3 MET A 34 2.538 -7.927 -7.676 1.00 53.43 H new ATOM 587 N PHE A 35 8.895 -8.768 -12.302 1.00 73.12 N ATOM 588 CA PHE A 35 9.698 -8.722 -13.519 1.00 32.15 C ATOM 589 C PHE A 35 9.167 -9.704 -14.558 1.00 73.44 C ATOM 590 O PHE A 35 9.000 -10.891 -14.278 1.00 5.21 O ATOM 591 CB PHE A 35 11.161 -9.039 -13.201 1.00 73.24 C ATOM 592 CG PHE A 35 11.376 -10.439 -12.702 1.00 70.30 C ATOM 593 CD1 PHE A 35 10.981 -10.802 -11.425 1.00 14.25 C ATOM 594 CD2 PHE A 35 11.974 -11.393 -13.510 1.00 42.30 C ATOM 595 CE1 PHE A 35 11.177 -12.089 -10.962 1.00 31.50 C ATOM 596 CE2 PHE A 35 12.173 -12.682 -13.053 1.00 53.11 C ATOM 597 CZ PHE A 35 11.775 -13.030 -11.777 1.00 73.42 C ATOM 0 H PHE A 35 8.758 -9.705 -11.922 1.00 73.12 H new ATOM 0 HA PHE A 35 9.633 -7.715 -13.931 1.00 32.15 H new ATOM 0 HB2 PHE A 35 11.761 -8.885 -14.098 1.00 73.24 H new ATOM 0 HB3 PHE A 35 11.522 -8.335 -12.451 1.00 73.24 H new ATOM 0 HD1 PHE A 35 10.514 -10.070 -10.783 1.00 14.25 H new ATOM 0 HD2 PHE A 35 12.288 -11.126 -14.508 1.00 42.30 H new ATOM 0 HE1 PHE A 35 10.863 -12.359 -9.964 1.00 31.50 H new ATOM 0 HE2 PHE A 35 12.639 -13.416 -13.693 1.00 53.11 H new ATOM 0 HZ PHE A 35 11.931 -14.036 -11.417 1.00 73.42 H new ATOM 607 N GLU A 36 8.902 -9.200 -15.760 1.00 1.24 N ATOM 608 CA GLU A 36 8.388 -10.032 -16.841 1.00 24.51 C ATOM 609 C GLU A 36 9.526 -10.545 -17.720 1.00 35.32 C ATOM 610 O GLU A 36 9.400 -11.580 -18.375 1.00 44.24 O ATOM 611 CB GLU A 36 7.388 -9.245 -17.690 1.00 3.12 C ATOM 612 CG GLU A 36 8.043 -8.266 -18.650 1.00 0.55 C ATOM 613 CD GLU A 36 8.257 -8.856 -20.030 1.00 12.12 C ATOM 614 OE1 GLU A 36 7.323 -8.789 -20.856 1.00 14.05 O ATOM 615 OE2 GLU A 36 9.359 -9.385 -20.284 1.00 4.32 O ATOM 0 H GLU A 36 9.035 -8.220 -16.009 1.00 1.24 H new ATOM 0 HA GLU A 36 7.880 -10.888 -16.396 1.00 24.51 H new ATOM 0 HB2 GLU A 36 6.777 -9.945 -18.259 1.00 3.12 H new ATOM 0 HB3 GLU A 36 6.715 -8.698 -17.030 1.00 3.12 H new ATOM 0 HG2 GLU A 36 7.422 -7.374 -18.733 1.00 0.55 H new ATOM 0 HG3 GLU A 36 9.003 -7.950 -18.242 1.00 0.55 H new ATOM 688 N ASN A 42 19.259 -9.270 -13.169 1.00 30.51 N ATOM 689 CA ASN A 42 19.090 -7.827 -13.050 1.00 42.21 C ATOM 690 C ASN A 42 18.261 -7.476 -11.819 1.00 12.53 C ATOM 691 O ASN A 42 18.386 -6.383 -11.264 1.00 65.32 O ATOM 692 CB ASN A 42 18.421 -7.266 -14.306 1.00 42.55 C ATOM 693 CG ASN A 42 19.429 -6.785 -15.333 1.00 21.04 C ATOM 694 OD1 ASN A 42 19.675 -5.586 -15.463 1.00 5.12 O ATOM 695 ND2 ASN A 42 20.017 -7.722 -16.068 1.00 3.44 N ATOM 0 HA ASN A 42 20.077 -7.378 -12.941 1.00 42.21 H new ATOM 0 HB2 ASN A 42 17.790 -8.035 -14.752 1.00 42.55 H new ATOM 0 HB3 ASN A 42 17.767 -6.439 -14.028 1.00 42.55 H new ATOM 0 HD21 ASN A 42 20.704 -7.459 -16.775 1.00 3.44 H new ATOM 0 HD22 ASN A 42 19.782 -8.704 -15.925 1.00 3.44 H new ATOM 702 N ILE A 43 17.414 -8.409 -11.397 1.00 3.45 N ATOM 703 CA ILE A 43 16.566 -8.198 -10.230 1.00 72.31 C ATOM 704 C ILE A 43 17.383 -7.717 -9.036 1.00 13.41 C ATOM 705 O ILE A 43 17.120 -6.662 -8.457 1.00 33.41 O ATOM 706 CB ILE A 43 15.817 -9.486 -9.839 1.00 55.14 C ATOM 707 CG1 ILE A 43 14.497 -9.587 -10.608 1.00 22.13 C ATOM 708 CG2 ILE A 43 15.566 -9.518 -8.339 1.00 60.42 C ATOM 709 CD1 ILE A 43 13.515 -8.487 -10.270 1.00 22.33 C ATOM 0 H ILE A 43 17.297 -9.318 -11.845 1.00 3.45 H new ATOM 0 HA ILE A 43 15.840 -7.432 -10.502 1.00 72.31 H new ATOM 0 HB ILE A 43 16.436 -10.344 -10.102 1.00 55.14 H new ATOM 0 HG12 ILE A 43 14.706 -9.560 -11.677 1.00 22.13 H new ATOM 0 HG13 ILE A 43 14.036 -10.552 -10.397 1.00 22.13 H new ATOM 0 HG21 ILE A 43 15.036 -10.434 -8.078 1.00 60.42 H new ATOM 0 HG22 ILE A 43 16.518 -9.487 -7.810 1.00 60.42 H new ATOM 0 HG23 ILE A 43 14.963 -8.656 -8.052 1.00 60.42 H new ATOM 0 HD11 ILE A 43 12.603 -8.622 -10.852 1.00 22.33 H new ATOM 0 HD12 ILE A 43 13.277 -8.526 -9.207 1.00 22.33 H new ATOM 0 HD13 ILE A 43 13.957 -7.519 -10.507 1.00 22.33 H new ATOM 721 N PRO A 44 18.400 -8.505 -8.658 1.00 33.20 N ATOM 722 CA PRO A 44 19.278 -8.179 -7.531 1.00 0.43 C ATOM 723 C PRO A 44 20.183 -6.988 -7.827 1.00 11.51 C ATOM 724 O PRO A 44 20.664 -6.317 -6.913 1.00 34.00 O ATOM 725 CB PRO A 44 20.110 -9.450 -7.349 1.00 63.44 C ATOM 726 CG PRO A 44 20.105 -10.101 -8.690 1.00 3.32 C ATOM 727 CD PRO A 44 18.771 -9.776 -9.302 1.00 71.14 C ATOM 0 HA PRO A 44 18.713 -7.893 -6.644 1.00 0.43 H new ATOM 0 HB2 PRO A 44 21.125 -9.216 -7.026 1.00 63.44 H new ATOM 0 HB3 PRO A 44 19.676 -10.102 -6.591 1.00 63.44 H new ATOM 0 HG2 PRO A 44 20.920 -9.726 -9.309 1.00 3.32 H new ATOM 0 HG3 PRO A 44 20.242 -11.179 -8.601 1.00 3.32 H new ATOM 0 HD2 PRO A 44 18.840 -9.672 -10.385 1.00 71.14 H new ATOM 0 HD3 PRO A 44 18.037 -10.557 -9.103 1.00 71.14 H new ATOM 735 N LYS A 45 20.411 -6.729 -9.110 1.00 44.30 N ATOM 736 CA LYS A 45 21.257 -5.617 -9.528 1.00 23.10 C ATOM 737 C LYS A 45 20.630 -4.281 -9.143 1.00 75.15 C ATOM 738 O LYS A 45 21.331 -3.334 -8.790 1.00 43.43 O ATOM 739 CB LYS A 45 21.490 -5.667 -11.040 1.00 2.13 C ATOM 740 CG LYS A 45 22.798 -5.029 -11.475 1.00 11.30 C ATOM 741 CD LYS A 45 22.565 -3.903 -12.469 1.00 64.31 C ATOM 742 CE LYS A 45 23.821 -3.601 -13.273 1.00 20.33 C ATOM 743 NZ LYS A 45 24.070 -2.137 -13.383 1.00 22.20 N ATOM 0 H LYS A 45 20.022 -7.274 -9.879 1.00 44.30 H new ATOM 0 HA LYS A 45 22.215 -5.709 -9.016 1.00 23.10 H new ATOM 0 HB2 LYS A 45 21.476 -6.707 -11.367 1.00 2.13 H new ATOM 0 HB3 LYS A 45 20.665 -5.163 -11.543 1.00 2.13 H new ATOM 0 HG2 LYS A 45 23.323 -4.642 -10.602 1.00 11.30 H new ATOM 0 HG3 LYS A 45 23.441 -5.785 -11.925 1.00 11.30 H new ATOM 0 HD2 LYS A 45 21.755 -4.175 -13.146 1.00 64.31 H new ATOM 0 HD3 LYS A 45 22.248 -3.006 -11.937 1.00 64.31 H new ATOM 0 HE2 LYS A 45 24.678 -4.081 -12.801 1.00 20.33 H new ATOM 0 HE3 LYS A 45 23.725 -4.029 -14.271 1.00 20.33 H new ATOM 0 HZ1 LYS A 45 24.934 -1.973 -13.938 1.00 22.20 H new ATOM 0 HZ2 LYS A 45 23.263 -1.682 -13.856 1.00 22.20 H new ATOM 0 HZ3 LYS A 45 24.187 -1.732 -12.432 1.00 22.20 H new ATOM 757 N SER A 46 19.304 -4.213 -9.213 1.00 71.43 N ATOM 758 CA SER A 46 18.582 -2.993 -8.875 1.00 10.54 C ATOM 759 C SER A 46 18.723 -2.672 -7.390 1.00 32.45 C ATOM 760 O SER A 46 19.116 -1.568 -7.016 1.00 45.11 O ATOM 761 CB SER A 46 17.103 -3.131 -9.240 1.00 31.40 C ATOM 762 OG SER A 46 16.911 -4.140 -10.216 1.00 63.53 O ATOM 0 H SER A 46 18.708 -4.989 -9.501 1.00 71.43 H new ATOM 0 HA SER A 46 19.015 -2.174 -9.449 1.00 10.54 H new ATOM 0 HB2 SER A 46 16.526 -3.370 -8.347 1.00 31.40 H new ATOM 0 HB3 SER A 46 16.728 -2.180 -9.617 1.00 31.40 H new ATOM 0 HG SER A 46 15.953 -4.321 -10.315 1.00 63.53 H new ATOM 768 N ALA A 47 18.398 -3.648 -6.547 1.00 52.41 N ATOM 769 CA ALA A 47 18.489 -3.472 -5.103 1.00 45.31 C ATOM 770 C ALA A 47 19.919 -3.152 -4.679 1.00 13.34 C ATOM 771 O ALA A 47 20.145 -2.578 -3.614 1.00 24.01 O ATOM 772 CB ALA A 47 17.991 -4.718 -4.387 1.00 33.11 C ATOM 0 H ALA A 47 18.070 -4.568 -6.840 1.00 52.41 H new ATOM 0 HA ALA A 47 17.857 -2.629 -4.824 1.00 45.31 H new ATOM 0 HB1 ALA A 47 18.065 -4.572 -3.309 1.00 33.11 H new ATOM 0 HB2 ALA A 47 16.951 -4.902 -4.658 1.00 33.11 H new ATOM 0 HB3 ALA A 47 18.599 -5.574 -4.680 1.00 33.11 H new ATOM 778 N GLU A 48 20.879 -3.527 -5.518 1.00 73.12 N ATOM 779 CA GLU A 48 22.286 -3.281 -5.228 1.00 2.45 C ATOM 780 C GLU A 48 22.638 -1.812 -5.447 1.00 11.03 C ATOM 781 O GLU A 48 23.527 -1.270 -4.790 1.00 65.40 O ATOM 782 CB GLU A 48 23.174 -4.165 -6.105 1.00 73.44 C ATOM 783 CG GLU A 48 24.620 -4.224 -5.645 1.00 4.04 C ATOM 784 CD GLU A 48 25.600 -3.894 -6.754 1.00 51.41 C ATOM 785 OE1 GLU A 48 25.309 -4.227 -7.922 1.00 1.13 O ATOM 786 OE2 GLU A 48 26.658 -3.301 -6.454 1.00 34.22 O ATOM 0 H GLU A 48 20.708 -4.002 -6.404 1.00 73.12 H new ATOM 0 HA GLU A 48 22.462 -3.528 -4.181 1.00 2.45 H new ATOM 0 HB2 GLU A 48 22.765 -5.175 -6.119 1.00 73.44 H new ATOM 0 HB3 GLU A 48 23.143 -3.794 -7.129 1.00 73.44 H new ATOM 0 HG2 GLU A 48 24.763 -3.527 -4.820 1.00 4.04 H new ATOM 0 HG3 GLU A 48 24.835 -5.221 -5.261 1.00 4.04 H new ATOM 793 N PHE A 49 21.933 -1.173 -6.375 1.00 25.11 N ATOM 794 CA PHE A 49 22.171 0.232 -6.683 1.00 4.32 C ATOM 795 C PHE A 49 22.121 1.083 -5.417 1.00 35.53 C ATOM 796 O PHE A 49 22.738 2.145 -5.345 1.00 41.41 O ATOM 797 CB PHE A 49 21.138 0.737 -7.692 1.00 11.33 C ATOM 798 CG PHE A 49 21.748 1.403 -8.892 1.00 54.21 C ATOM 799 CD1 PHE A 49 22.117 2.738 -8.847 1.00 63.22 C ATOM 800 CD2 PHE A 49 21.952 0.694 -10.065 1.00 13.40 C ATOM 801 CE1 PHE A 49 22.678 3.353 -9.951 1.00 32.04 C ATOM 802 CE2 PHE A 49 22.512 1.304 -11.172 1.00 2.25 C ATOM 803 CZ PHE A 49 22.877 2.635 -11.114 1.00 13.12 C ATOM 0 H PHE A 49 21.192 -1.606 -6.927 1.00 25.11 H new ATOM 0 HA PHE A 49 23.166 0.319 -7.118 1.00 4.32 H new ATOM 0 HB2 PHE A 49 20.526 -0.102 -8.024 1.00 11.33 H new ATOM 0 HB3 PHE A 49 20.471 1.442 -7.195 1.00 11.33 H new ATOM 0 HD1 PHE A 49 21.965 3.304 -7.940 1.00 63.22 H new ATOM 0 HD2 PHE A 49 21.670 -0.347 -10.115 1.00 13.40 H new ATOM 0 HE1 PHE A 49 22.960 4.394 -9.904 1.00 32.04 H new ATOM 0 HE2 PHE A 49 22.664 0.741 -12.081 1.00 2.25 H new ATOM 0 HZ PHE A 49 23.317 3.113 -11.976 1.00 13.12 H new ATOM 813 N ILE A 50 21.380 0.607 -4.421 1.00 62.22 N ATOM 814 CA ILE A 50 21.249 1.322 -3.158 1.00 52.31 C ATOM 815 C ILE A 50 22.526 1.218 -2.332 1.00 2.11 C ATOM 816 O ILE A 50 23.162 2.226 -2.025 1.00 40.24 O ATOM 817 CB ILE A 50 20.068 0.786 -2.327 1.00 62.23 C ATOM 818 CG1 ILE A 50 18.813 0.678 -3.195 1.00 71.54 C ATOM 819 CG2 ILE A 50 19.813 1.685 -1.127 1.00 50.32 C ATOM 820 CD1 ILE A 50 18.225 2.018 -3.577 1.00 34.12 C ATOM 0 H ILE A 50 20.862 -0.270 -4.465 1.00 62.22 H new ATOM 0 HA ILE A 50 21.064 2.367 -3.405 1.00 52.31 H new ATOM 0 HB ILE A 50 20.322 -0.209 -1.963 1.00 62.23 H new ATOM 0 HG12 ILE A 50 19.055 0.125 -4.102 1.00 71.54 H new ATOM 0 HG13 ILE A 50 18.060 0.099 -2.660 1.00 71.54 H new ATOM 0 HG21 ILE A 50 18.976 1.293 -0.550 1.00 50.32 H new ATOM 0 HG22 ILE A 50 20.704 1.715 -0.499 1.00 50.32 H new ATOM 0 HG23 ILE A 50 19.577 2.692 -1.471 1.00 50.32 H new ATOM 0 HD11 ILE A 50 17.338 1.864 -4.192 1.00 34.12 H new ATOM 0 HD12 ILE A 50 17.951 2.565 -2.675 1.00 34.12 H new ATOM 0 HD13 ILE A 50 18.962 2.591 -4.140 1.00 34.12 H new ATOM 832 N GLN A 51 22.896 -0.008 -1.976 1.00 41.14 N ATOM 833 CA GLN A 51 24.099 -0.244 -1.186 1.00 51.55 C ATOM 834 C GLN A 51 24.590 -1.677 -1.357 1.00 34.54 C ATOM 835 O GLN A 51 23.812 -2.626 -1.253 1.00 63.43 O ATOM 836 CB GLN A 51 23.828 0.044 0.291 1.00 22.54 C ATOM 837 CG GLN A 51 24.979 0.743 0.996 1.00 42.30 C ATOM 838 CD GLN A 51 25.962 -0.230 1.616 1.00 64.02 C ATOM 839 OE1 GLN A 51 26.745 -0.872 0.914 1.00 54.31 O ATOM 840 NE2 GLN A 51 25.928 -0.345 2.938 1.00 1.03 N ATOM 0 H GLN A 51 22.380 -0.853 -2.222 1.00 41.14 H new ATOM 0 HA GLN A 51 24.877 0.431 -1.543 1.00 51.55 H new ATOM 0 HB2 GLN A 51 22.934 0.661 0.374 1.00 22.54 H new ATOM 0 HB3 GLN A 51 23.616 -0.895 0.803 1.00 22.54 H new ATOM 0 HG2 GLN A 51 25.504 1.379 0.283 1.00 42.30 H new ATOM 0 HG3 GLN A 51 24.581 1.396 1.773 1.00 42.30 H new ATOM 0 HE21 GLN A 51 25.263 0.206 3.481 1.00 1.03 H new ATOM 0 HE22 GLN A 51 26.567 -0.984 3.411 1.00 1.03 H new ATOM 849 N SER A 52 25.884 -1.828 -1.618 1.00 42.42 N ATOM 850 CA SER A 52 26.478 -3.146 -1.807 1.00 10.00 C ATOM 851 C SER A 52 26.110 -4.077 -0.656 1.00 21.41 C ATOM 852 O SER A 52 25.980 -5.288 -0.838 1.00 63.11 O ATOM 853 CB SER A 52 27.999 -3.032 -1.919 1.00 45.03 C ATOM 854 OG SER A 52 28.556 -4.193 -2.511 1.00 33.42 O ATOM 0 H SER A 52 26.542 -1.053 -1.704 1.00 42.42 H new ATOM 0 HA SER A 52 26.083 -3.566 -2.732 1.00 10.00 H new ATOM 0 HB2 SER A 52 28.258 -2.157 -2.514 1.00 45.03 H new ATOM 0 HB3 SER A 52 28.429 -2.883 -0.929 1.00 45.03 H new ATOM 0 HG SER A 52 29.529 -4.094 -2.572 1.00 33.42 H new ATOM 860 N LYS A 53 25.943 -3.504 0.531 1.00 41.52 N ATOM 861 CA LYS A 53 25.589 -4.279 1.713 1.00 32.43 C ATOM 862 C LYS A 53 24.233 -3.847 2.261 1.00 35.34 C ATOM 863 O LYS A 53 24.041 -2.689 2.630 1.00 64.22 O ATOM 864 CB LYS A 53 26.661 -4.120 2.793 1.00 24.23 C ATOM 865 CG LYS A 53 28.059 -4.479 2.320 1.00 43.13 C ATOM 866 CD LYS A 53 28.930 -3.243 2.164 1.00 33.14 C ATOM 867 CE LYS A 53 29.940 -3.127 3.295 1.00 23.52 C ATOM 868 NZ LYS A 53 29.322 -2.592 4.540 1.00 75.54 N ATOM 0 H LYS A 53 26.048 -2.503 0.700 1.00 41.52 H new ATOM 0 HA LYS A 53 25.527 -5.328 1.423 1.00 32.43 H new ATOM 0 HB2 LYS A 53 26.659 -3.089 3.145 1.00 24.23 H new ATOM 0 HB3 LYS A 53 26.402 -4.748 3.645 1.00 24.23 H new ATOM 0 HG2 LYS A 53 28.521 -5.163 3.032 1.00 43.13 H new ATOM 0 HG3 LYS A 53 27.998 -5.005 1.367 1.00 43.13 H new ATOM 0 HD2 LYS A 53 29.454 -3.284 1.209 1.00 33.14 H new ATOM 0 HD3 LYS A 53 28.301 -2.353 2.144 1.00 33.14 H new ATOM 0 HE2 LYS A 53 30.373 -4.107 3.497 1.00 23.52 H new ATOM 0 HE3 LYS A 53 30.757 -2.475 2.986 1.00 23.52 H new ATOM 0 HZ1 LYS A 53 30.044 -2.528 5.286 1.00 75.54 H new ATOM 0 HZ2 LYS A 53 28.931 -1.646 4.355 1.00 75.54 H new ATOM 0 HZ3 LYS A 53 28.559 -3.227 4.850 1.00 75.54 H new ATOM 882 N GLY A 54 23.293 -4.787 2.314 1.00 64.24 N ATOM 883 CA GLY A 54 21.967 -4.484 2.819 1.00 5.24 C ATOM 884 C GLY A 54 20.874 -5.178 2.032 1.00 13.22 C ATOM 885 O GLY A 54 20.019 -5.854 2.606 1.00 41.30 O ATOM 0 H GLY A 54 23.427 -5.753 2.016 1.00 64.24 H new ATOM 0 HA2 GLY A 54 21.903 -4.783 3.865 1.00 5.24 H new ATOM 0 HA3 GLY A 54 21.806 -3.406 2.785 1.00 5.24 H new ATOM 889 N HIS A 55 20.898 -5.010 0.714 1.00 62.03 N ATOM 890 CA HIS A 55 19.900 -5.625 -0.154 1.00 31.12 C ATOM 891 C HIS A 55 20.124 -7.131 -0.258 1.00 2.41 C ATOM 892 O HIS A 55 21.175 -7.580 -0.712 1.00 65.43 O ATOM 893 CB HIS A 55 19.944 -4.994 -1.546 1.00 4.44 C ATOM 894 CG HIS A 55 21.150 -5.385 -2.343 1.00 24.33 C ATOM 895 ND1 HIS A 55 22.438 -5.075 -1.961 1.00 4.42 N ATOM 896 CD2 HIS A 55 21.259 -6.068 -3.506 1.00 70.23 C ATOM 897 CE1 HIS A 55 23.287 -5.548 -2.856 1.00 10.31 C ATOM 898 NE2 HIS A 55 22.597 -6.156 -3.804 1.00 13.51 N ATOM 0 H HIS A 55 21.598 -4.453 0.223 1.00 62.03 H new ATOM 0 HA HIS A 55 18.917 -5.451 0.284 1.00 31.12 H new ATOM 0 HB2 HIS A 55 19.047 -5.282 -2.095 1.00 4.44 H new ATOM 0 HB3 HIS A 55 19.922 -3.909 -1.445 1.00 4.44 H new ATOM 0 HD2 HIS A 55 20.445 -6.469 -4.091 1.00 70.23 H new ATOM 0 HE1 HIS A 55 24.362 -5.454 -2.819 1.00 10.31 H new ATOM 0 HE2 HIS A 55 22.993 -6.616 -4.624 1.00 13.51 H new ATOM 906 N GLU A 56 19.129 -7.903 0.167 1.00 62.21 N ATOM 907 CA GLU A 56 19.220 -9.358 0.122 1.00 10.14 C ATOM 908 C GLU A 56 17.895 -9.972 -0.319 1.00 71.44 C ATOM 909 O GLU A 56 16.867 -9.798 0.337 1.00 22.51 O ATOM 910 CB GLU A 56 19.618 -9.908 1.493 1.00 21.45 C ATOM 911 CG GLU A 56 20.799 -10.864 1.446 1.00 13.44 C ATOM 912 CD GLU A 56 20.374 -12.319 1.496 1.00 43.54 C ATOM 913 OE1 GLU A 56 19.442 -12.638 2.263 1.00 25.32 O ATOM 914 OE2 GLU A 56 20.974 -13.137 0.768 1.00 54.05 O ATOM 0 H GLU A 56 18.252 -7.546 0.546 1.00 62.21 H new ATOM 0 HA GLU A 56 19.985 -9.627 -0.606 1.00 10.14 H new ATOM 0 HB2 GLU A 56 19.862 -9.075 2.153 1.00 21.45 H new ATOM 0 HB3 GLU A 56 18.763 -10.422 1.931 1.00 21.45 H new ATOM 0 HG2 GLU A 56 21.369 -10.687 0.534 1.00 13.44 H new ATOM 0 HG3 GLU A 56 21.465 -10.655 2.283 1.00 13.44 H new ATOM 921 N LEU A 57 17.926 -10.691 -1.436 1.00 62.21 N ATOM 922 CA LEU A 57 16.728 -11.332 -1.967 1.00 42.04 C ATOM 923 C LEU A 57 16.422 -12.623 -1.215 1.00 11.11 C ATOM 924 O LEU A 57 17.045 -13.658 -1.456 1.00 41.42 O ATOM 925 CB LEU A 57 16.902 -11.626 -3.458 1.00 60.34 C ATOM 926 CG LEU A 57 16.940 -10.409 -4.383 1.00 4.11 C ATOM 927 CD1 LEU A 57 15.739 -9.511 -4.133 1.00 1.43 C ATOM 928 CD2 LEU A 57 18.237 -9.635 -4.192 1.00 15.23 C ATOM 0 H LEU A 57 18.768 -10.845 -1.991 1.00 62.21 H new ATOM 0 HA LEU A 57 15.890 -10.648 -1.833 1.00 42.04 H new ATOM 0 HB2 LEU A 57 17.827 -12.188 -3.591 1.00 60.34 H new ATOM 0 HB3 LEU A 57 16.086 -12.275 -3.777 1.00 60.34 H new ATOM 0 HG LEU A 57 16.897 -10.759 -5.415 1.00 4.11 H new ATOM 0 HD11 LEU A 57 15.783 -8.650 -4.800 1.00 1.43 H new ATOM 0 HD12 LEU A 57 14.822 -10.069 -4.321 1.00 1.43 H new ATOM 0 HD13 LEU A 57 15.750 -9.169 -3.098 1.00 1.43 H new ATOM 0 HD21 LEU A 57 18.247 -8.772 -4.858 1.00 15.23 H new ATOM 0 HD22 LEU A 57 18.310 -9.296 -3.158 1.00 15.23 H new ATOM 0 HD23 LEU A 57 19.084 -10.281 -4.423 1.00 15.23 H new ATOM 940 N LEU A 58 15.457 -12.556 -0.304 1.00 43.20 N ATOM 941 CA LEU A 58 15.066 -13.720 0.483 1.00 72.21 C ATOM 942 C LEU A 58 14.732 -14.902 -0.422 1.00 52.31 C ATOM 943 O LEU A 58 15.437 -15.909 -0.429 1.00 63.52 O ATOM 944 CB LEU A 58 13.863 -13.383 1.365 1.00 13.23 C ATOM 945 CG LEU A 58 14.164 -13.132 2.843 1.00 33.03 C ATOM 946 CD1 LEU A 58 13.352 -11.955 3.361 1.00 1.31 C ATOM 947 CD2 LEU A 58 13.879 -14.381 3.665 1.00 50.11 C ATOM 0 H LEU A 58 14.931 -11.708 -0.092 1.00 43.20 H new ATOM 0 HA LEU A 58 15.908 -13.998 1.117 1.00 72.21 H new ATOM 0 HB2 LEU A 58 13.377 -12.496 0.958 1.00 13.23 H new ATOM 0 HB3 LEU A 58 13.146 -14.201 1.295 1.00 13.23 H new ATOM 0 HG LEU A 58 15.222 -12.889 2.942 1.00 33.03 H new ATOM 0 HD11 LEU A 58 13.579 -11.792 4.414 1.00 1.31 H new ATOM 0 HD12 LEU A 58 13.605 -11.060 2.792 1.00 1.31 H new ATOM 0 HD13 LEU A 58 12.289 -12.169 3.248 1.00 1.31 H new ATOM 0 HD21 LEU A 58 14.099 -14.184 4.714 1.00 50.11 H new ATOM 0 HD22 LEU A 58 12.829 -14.654 3.559 1.00 50.11 H new ATOM 0 HD23 LEU A 58 14.505 -15.200 3.311 1.00 50.11 H new ATOM 1088 N ASP A 67 5.636 -13.294 -15.915 1.00 61.40 N ATOM 1089 CA ASP A 67 6.179 -12.326 -14.969 1.00 51.15 C ATOM 1090 C ASP A 67 5.994 -12.806 -13.533 1.00 64.44 C ATOM 1091 O ASP A 67 4.885 -13.144 -13.119 1.00 65.13 O ATOM 1092 CB ASP A 67 5.504 -10.966 -15.156 1.00 4.10 C ATOM 1093 CG ASP A 67 5.516 -10.135 -13.888 1.00 22.11 C ATOM 1094 OD1 ASP A 67 6.562 -9.521 -13.591 1.00 51.45 O ATOM 1095 OD2 ASP A 67 4.480 -10.100 -13.191 1.00 70.14 O ATOM 0 HA ASP A 67 7.247 -12.224 -15.164 1.00 51.15 H new ATOM 0 HB2 ASP A 67 6.011 -10.418 -15.951 1.00 4.10 H new ATOM 0 HB3 ASP A 67 4.474 -11.116 -15.479 1.00 4.10 H new ATOM 1100 N TRP A 68 7.088 -12.835 -12.780 1.00 34.31 N ATOM 1101 CA TRP A 68 7.046 -13.276 -11.390 1.00 43.21 C ATOM 1102 C TRP A 68 7.330 -12.115 -10.443 1.00 34.34 C ATOM 1103 O TRP A 68 7.479 -10.971 -10.873 1.00 22.13 O ATOM 1104 CB TRP A 68 8.059 -14.398 -11.159 1.00 65.10 C ATOM 1105 CG TRP A 68 7.486 -15.575 -10.429 1.00 61.04 C ATOM 1106 CD1 TRP A 68 7.787 -15.978 -9.160 1.00 31.13 C ATOM 1107 CD2 TRP A 68 6.515 -16.502 -10.927 1.00 54.41 C ATOM 1108 NE1 TRP A 68 7.061 -17.100 -8.838 1.00 51.41 N ATOM 1109 CE2 TRP A 68 6.272 -17.440 -9.905 1.00 63.20 C ATOM 1110 CE3 TRP A 68 5.824 -16.629 -12.135 1.00 44.45 C ATOM 1111 CZ2 TRP A 68 5.371 -18.490 -10.057 1.00 74.05 C ATOM 1112 CZ3 TRP A 68 4.930 -17.671 -12.285 1.00 61.33 C ATOM 1113 CH2 TRP A 68 4.709 -18.590 -11.251 1.00 72.41 C ATOM 0 H TRP A 68 8.014 -12.559 -13.108 1.00 34.31 H new ATOM 0 HA TRP A 68 6.044 -13.653 -11.184 1.00 43.21 H new ATOM 0 HB2 TRP A 68 8.448 -14.731 -12.122 1.00 65.10 H new ATOM 0 HB3 TRP A 68 8.903 -14.005 -10.593 1.00 65.10 H new ATOM 0 HD1 TRP A 68 8.492 -15.487 -8.505 1.00 31.13 H new ATOM 0 HE1 TRP A 68 7.103 -17.598 -7.949 1.00 51.41 H new ATOM 0 HE3 TRP A 68 5.986 -15.925 -12.937 1.00 44.45 H new ATOM 0 HZ2 TRP A 68 5.200 -19.200 -9.262 1.00 74.05 H new ATOM 0 HZ3 TRP A 68 4.392 -17.779 -13.215 1.00 61.33 H new ATOM 0 HH2 TRP A 68 4.002 -19.393 -11.399 1.00 72.41 H new ATOM 1124 N THR A 69 7.403 -12.417 -9.150 1.00 13.42 N ATOM 1125 CA THR A 69 7.667 -11.398 -8.141 1.00 63.14 C ATOM 1126 C THR A 69 8.830 -11.803 -7.242 1.00 74.44 C ATOM 1127 O THR A 69 9.053 -12.989 -6.998 1.00 20.42 O ATOM 1128 CB THR A 69 6.425 -11.136 -7.269 1.00 4.43 C ATOM 1129 OG1 THR A 69 6.343 -12.114 -6.226 1.00 64.14 O ATOM 1130 CG2 THR A 69 5.157 -11.173 -8.107 1.00 72.25 C ATOM 0 H THR A 69 7.283 -13.359 -8.777 1.00 13.42 H new ATOM 0 HA THR A 69 7.926 -10.484 -8.675 1.00 63.14 H new ATOM 0 HB THR A 69 6.521 -10.143 -6.829 1.00 4.43 H new ATOM 0 HG1 THR A 69 5.551 -11.939 -5.675 1.00 64.14 H new ATOM 0 HG21 THR A 69 4.294 -10.985 -7.469 1.00 72.25 H new ATOM 0 HG22 THR A 69 5.210 -10.407 -8.881 1.00 72.25 H new ATOM 0 HG23 THR A 69 5.057 -12.153 -8.573 1.00 72.25 H new ATOM 1138 N ILE A 70 9.566 -10.812 -6.753 1.00 3.04 N ATOM 1139 CA ILE A 70 10.705 -11.066 -5.879 1.00 32.42 C ATOM 1140 C ILE A 70 10.678 -10.150 -4.660 1.00 61.12 C ATOM 1141 O ILE A 70 10.459 -8.945 -4.781 1.00 3.31 O ATOM 1142 CB ILE A 70 12.040 -10.874 -6.623 1.00 15.13 C ATOM 1143 CG1 ILE A 70 13.216 -11.061 -5.662 1.00 15.12 C ATOM 1144 CG2 ILE A 70 12.091 -9.498 -7.270 1.00 62.34 C ATOM 1145 CD1 ILE A 70 13.234 -12.414 -4.986 1.00 1.14 C ATOM 0 H ILE A 70 9.395 -9.825 -6.947 1.00 3.04 H new ATOM 0 HA ILE A 70 10.627 -12.103 -5.553 1.00 32.42 H new ATOM 0 HB ILE A 70 12.114 -11.627 -7.408 1.00 15.13 H new ATOM 0 HG12 ILE A 70 14.148 -10.925 -6.210 1.00 15.12 H new ATOM 0 HG13 ILE A 70 13.179 -10.283 -4.899 1.00 15.12 H new ATOM 0 HG21 ILE A 70 13.040 -9.376 -7.792 1.00 62.34 H new ATOM 0 HG22 ILE A 70 11.271 -9.400 -7.981 1.00 62.34 H new ATOM 0 HG23 ILE A 70 11.999 -8.731 -6.501 1.00 62.34 H new ATOM 0 HD11 ILE A 70 14.094 -12.476 -4.320 1.00 1.14 H new ATOM 0 HD12 ILE A 70 12.318 -12.545 -4.410 1.00 1.14 H new ATOM 0 HD13 ILE A 70 13.303 -13.197 -5.741 1.00 1.14 H new ATOM 1157 N VAL A 71 10.904 -10.730 -3.486 1.00 1.15 N ATOM 1158 CA VAL A 71 10.909 -9.965 -2.244 1.00 21.40 C ATOM 1159 C VAL A 71 12.313 -9.478 -1.904 1.00 62.32 C ATOM 1160 O VAL A 71 13.273 -10.249 -1.932 1.00 41.55 O ATOM 1161 CB VAL A 71 10.369 -10.801 -1.068 1.00 50.12 C ATOM 1162 CG1 VAL A 71 8.854 -10.917 -1.147 1.00 64.40 C ATOM 1163 CG2 VAL A 71 11.018 -12.177 -1.051 1.00 15.14 C ATOM 0 H VAL A 71 11.086 -11.727 -3.368 1.00 1.15 H new ATOM 0 HA VAL A 71 10.257 -9.105 -2.399 1.00 21.40 H new ATOM 0 HB VAL A 71 10.622 -10.294 -0.137 1.00 50.12 H new ATOM 0 HG11 VAL A 71 8.490 -11.511 -0.308 1.00 64.40 H new ATOM 0 HG12 VAL A 71 8.410 -9.922 -1.107 1.00 64.40 H new ATOM 0 HG13 VAL A 71 8.574 -11.401 -2.083 1.00 64.40 H new ATOM 0 HG21 VAL A 71 10.625 -12.754 -0.214 1.00 15.14 H new ATOM 0 HG22 VAL A 71 10.797 -12.695 -1.984 1.00 15.14 H new ATOM 0 HG23 VAL A 71 12.097 -12.069 -0.942 1.00 15.14 H new ATOM 1173 N VAL A 72 12.426 -8.194 -1.582 1.00 42.53 N ATOM 1174 CA VAL A 72 13.713 -7.603 -1.235 1.00 1.30 C ATOM 1175 C VAL A 72 13.671 -6.971 0.152 1.00 44.11 C ATOM 1176 O VAL A 72 12.820 -6.129 0.436 1.00 14.21 O ATOM 1177 CB VAL A 72 14.136 -6.535 -2.261 1.00 54.32 C ATOM 1178 CG1 VAL A 72 15.621 -6.232 -2.136 1.00 40.03 C ATOM 1179 CG2 VAL A 72 13.792 -6.987 -3.672 1.00 41.04 C ATOM 0 H VAL A 72 11.642 -7.543 -1.554 1.00 42.53 H new ATOM 0 HA VAL A 72 14.444 -8.411 -1.241 1.00 1.30 H new ATOM 0 HB VAL A 72 13.585 -5.618 -2.053 1.00 54.32 H new ATOM 0 HG11 VAL A 72 15.901 -5.475 -2.869 1.00 40.03 H new ATOM 0 HG12 VAL A 72 15.834 -5.862 -1.133 1.00 40.03 H new ATOM 0 HG13 VAL A 72 16.194 -7.141 -2.316 1.00 40.03 H new ATOM 0 HG21 VAL A 72 14.098 -6.221 -4.384 1.00 41.04 H new ATOM 0 HG22 VAL A 72 14.315 -7.917 -3.894 1.00 41.04 H new ATOM 0 HG23 VAL A 72 12.717 -7.147 -3.751 1.00 41.04 H new ATOM 1189 N ARG A 73 14.597 -7.383 1.012 1.00 43.22 N ATOM 1190 CA ARG A 73 14.666 -6.858 2.370 1.00 1.40 C ATOM 1191 C ARG A 73 15.749 -5.789 2.485 1.00 12.53 C ATOM 1192 O ARG A 73 16.911 -6.028 2.155 1.00 14.42 O ATOM 1193 CB ARG A 73 14.943 -7.988 3.363 1.00 15.22 C ATOM 1194 CG ARG A 73 16.103 -8.883 2.960 1.00 1.41 C ATOM 1195 CD ARG A 73 17.063 -9.106 4.118 1.00 35.45 C ATOM 1196 NE ARG A 73 16.747 -10.322 4.864 1.00 53.02 N ATOM 1197 CZ ARG A 73 17.511 -10.808 5.835 1.00 25.10 C ATOM 1198 NH1 ARG A 73 18.631 -10.185 6.177 1.00 53.21 N ATOM 1199 NH2 ARG A 73 17.157 -11.920 6.467 1.00 51.31 N ATOM 0 H ARG A 73 15.310 -8.079 0.792 1.00 43.22 H new ATOM 0 HA ARG A 73 13.704 -6.403 2.606 1.00 1.40 H new ATOM 0 HB2 ARG A 73 15.151 -7.557 4.342 1.00 15.22 H new ATOM 0 HB3 ARG A 73 14.045 -8.597 3.467 1.00 15.22 H new ATOM 0 HG2 ARG A 73 15.720 -9.843 2.613 1.00 1.41 H new ATOM 0 HG3 ARG A 73 16.638 -8.433 2.124 1.00 1.41 H new ATOM 0 HD2 ARG A 73 18.082 -9.169 3.737 1.00 35.45 H new ATOM 0 HD3 ARG A 73 17.026 -8.248 4.790 1.00 35.45 H new ATOM 0 HE ARG A 73 15.892 -10.825 4.626 1.00 53.02 H new ATOM 0 HH11 ARG A 73 18.907 -9.330 5.694 1.00 53.21 H new ATOM 0 HH12 ARG A 73 19.216 -10.561 6.923 1.00 53.21 H new ATOM 0 HH21 ARG A 73 16.297 -12.403 6.207 1.00 51.31 H new ATOM 0 HH22 ARG A 73 17.745 -12.292 7.213 1.00 51.31 H new ATOM 1213 N LYS A 74 15.360 -4.608 2.956 1.00 72.25 N ATOM 1214 CA LYS A 74 16.296 -3.502 3.116 1.00 52.33 C ATOM 1215 C LYS A 74 17.047 -3.612 4.438 1.00 3.14 C ATOM 1216 O LYS A 74 16.584 -4.262 5.376 1.00 70.35 O ATOM 1217 CB LYS A 74 15.553 -2.165 3.048 1.00 25.14 C ATOM 1218 CG LYS A 74 15.459 -1.592 1.645 1.00 3.41 C ATOM 1219 CD LYS A 74 16.407 -0.419 1.457 1.00 14.43 C ATOM 1220 CE LYS A 74 16.001 0.768 2.318 1.00 44.42 C ATOM 1221 NZ LYS A 74 17.179 1.417 2.958 1.00 21.34 N ATOM 0 H LYS A 74 14.402 -4.393 3.233 1.00 72.25 H new ATOM 0 HA LYS A 74 17.020 -3.550 2.303 1.00 52.33 H new ATOM 0 HB2 LYS A 74 14.547 -2.298 3.445 1.00 25.14 H new ATOM 0 HB3 LYS A 74 16.058 -1.445 3.692 1.00 25.14 H new ATOM 0 HG2 LYS A 74 15.692 -2.369 0.917 1.00 3.41 H new ATOM 0 HG3 LYS A 74 14.436 -1.269 1.451 1.00 3.41 H new ATOM 0 HD2 LYS A 74 17.422 -0.725 1.712 1.00 14.43 H new ATOM 0 HD3 LYS A 74 16.418 -0.123 0.408 1.00 14.43 H new ATOM 0 HE2 LYS A 74 15.473 1.498 1.705 1.00 44.42 H new ATOM 0 HE3 LYS A 74 15.305 0.437 3.089 1.00 44.42 H new ATOM 0 HZ1 LYS A 74 16.861 2.221 3.536 1.00 21.34 H new ATOM 0 HZ2 LYS A 74 17.669 0.728 3.563 1.00 21.34 H new ATOM 0 HZ3 LYS A 74 17.831 1.756 2.222 1.00 21.34 H new ATOM 1235 N LYS A 75 18.209 -2.971 4.509 1.00 61.13 N ATOM 1236 CA LYS A 75 19.024 -2.994 5.717 1.00 24.13 C ATOM 1237 C LYS A 75 20.146 -1.964 5.637 1.00 41.32 C ATOM 1238 O LYS A 75 20.481 -1.318 6.629 1.00 13.14 O ATOM 1239 CB LYS A 75 19.614 -4.390 5.933 1.00 40.21 C ATOM 1240 CG LYS A 75 19.457 -4.903 7.354 1.00 64.43 C ATOM 1241 CD LYS A 75 20.700 -4.631 8.185 1.00 32.22 C ATOM 1242 CE LYS A 75 20.611 -5.291 9.553 1.00 52.12 C ATOM 1243 NZ LYS A 75 21.339 -6.589 9.591 1.00 73.43 N ATOM 0 H LYS A 75 18.607 -2.429 3.743 1.00 61.13 H new ATOM 0 HA LYS A 75 18.383 -2.742 6.562 1.00 24.13 H new ATOM 0 HB2 LYS A 75 19.133 -5.089 5.248 1.00 40.21 H new ATOM 0 HB3 LYS A 75 20.673 -4.371 5.677 1.00 40.21 H new ATOM 0 HG2 LYS A 75 18.595 -4.427 7.821 1.00 64.43 H new ATOM 0 HG3 LYS A 75 19.258 -5.975 7.335 1.00 64.43 H new ATOM 0 HD2 LYS A 75 21.580 -5.001 7.658 1.00 32.22 H new ATOM 0 HD3 LYS A 75 20.830 -3.556 8.306 1.00 32.22 H new ATOM 0 HE2 LYS A 75 21.024 -4.621 10.307 1.00 52.12 H new ATOM 0 HE3 LYS A 75 19.564 -5.454 9.810 1.00 52.12 H new ATOM 0 HZ1 LYS A 75 21.255 -7.007 10.540 1.00 73.43 H new ATOM 0 HZ2 LYS A 75 20.929 -7.238 8.889 1.00 73.43 H new ATOM 0 HZ3 LYS A 75 22.343 -6.431 9.371 1.00 73.43 H new