USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.149 USER MOD Set 2.1: A 61 TYR OH : rot 30:sc= 0.644 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 177:sc= 1.7 (180deg=0.564) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.0934 X(o=-0.093,f=-0.088) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.471 USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.726) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc=-0.00811 (180deg=-0.161) USER MOD Single : A 15 MET CE :methyl -126:sc= -0.0987 (180deg=-0.95) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0559) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD Single : A 47 THR OG1 : rot -139:sc= -1.2 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.36 K(o=-0.36,f=-0.91) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.015) USER MOD Single : A 86 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.8) USER MOD Single : A 87 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.7) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= -0.0644 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.111 -0.362 -2.035 1.00 54.54 N ATOM 19 CA THR A 2 5.255 -1.264 -2.010 1.00 50.32 C ATOM 20 C THR A 2 6.561 -0.491 -1.866 1.00 21.13 C ATOM 21 O THR A 2 7.646 -1.064 -1.962 1.00 23.53 O ATOM 22 CB THR A 2 5.320 -2.125 -3.286 1.00 14.04 C ATOM 23 OG1 THR A 2 3.996 -2.436 -3.734 1.00 52.35 O ATOM 24 CG2 THR A 2 6.089 -3.412 -3.031 1.00 23.11 C ATOM 0 HA THR A 2 5.124 -1.916 -1.147 1.00 50.32 H new ATOM 0 HB THR A 2 5.840 -1.556 -4.056 1.00 14.04 H new ATOM 0 HG1 THR A 2 3.368 -1.768 -3.387 1.00 52.35 H new ATOM 0 HG21 THR A 2 6.122 -4.004 -3.946 1.00 23.11 H new ATOM 0 HG22 THR A 2 7.105 -3.173 -2.717 1.00 23.11 H new ATOM 0 HG23 THR A 2 5.592 -3.983 -2.247 1.00 23.11 H new ATOM 32 N ARG A 3 6.449 0.813 -1.634 1.00 24.20 N ATOM 33 CA ARG A 3 7.622 1.664 -1.477 1.00 5.13 C ATOM 34 C ARG A 3 8.285 1.432 -0.122 1.00 62.40 C ATOM 35 O ARG A 3 7.828 0.608 0.671 1.00 62.14 O ATOM 36 CB ARG A 3 7.233 3.137 -1.620 1.00 64.41 C ATOM 37 CG ARG A 3 6.359 3.420 -2.831 1.00 2.43 C ATOM 38 CD ARG A 3 7.085 3.103 -4.129 1.00 3.43 C ATOM 39 NE ARG A 3 8.109 4.097 -4.440 1.00 24.03 N ATOM 40 CZ ARG A 3 7.840 5.298 -4.938 1.00 44.44 C ATOM 41 NH1 ARG A 3 6.586 5.654 -5.181 1.00 22.42 N ATOM 42 NH2 ARG A 3 8.827 6.148 -5.195 1.00 61.31 N ATOM 0 H ARG A 3 5.558 1.303 -1.551 1.00 24.20 H new ATOM 0 HA ARG A 3 8.334 1.405 -2.260 1.00 5.13 H new ATOM 0 HB2 ARG A 3 6.706 3.454 -0.720 1.00 64.41 H new ATOM 0 HB3 ARG A 3 8.139 3.739 -1.688 1.00 64.41 H new ATOM 0 HG2 ARG A 3 5.447 2.827 -2.769 1.00 2.43 H new ATOM 0 HG3 ARG A 3 6.059 4.468 -2.827 1.00 2.43 H new ATOM 0 HD2 ARG A 3 7.546 2.118 -4.055 1.00 3.43 H new ATOM 0 HD3 ARG A 3 6.364 3.057 -4.946 1.00 3.43 H new ATOM 0 HE ARG A 3 9.084 3.855 -4.265 1.00 24.03 H new ATOM 0 HH11 ARG A 3 5.824 5.004 -4.985 1.00 22.42 H new ATOM 0 HH12 ARG A 3 6.383 6.577 -5.564 1.00 22.42 H new ATOM 0 HH21 ARG A 3 9.793 5.879 -5.010 1.00 61.31 H new ATOM 0 HH22 ARG A 3 8.619 7.070 -5.578 1.00 61.31 H new ATOM 56 N ASP A 4 9.364 2.162 0.136 1.00 43.21 N ATOM 57 CA ASP A 4 10.090 2.036 1.395 1.00 51.45 C ATOM 58 C ASP A 4 9.738 3.179 2.342 1.00 54.35 C ATOM 59 O ASP A 4 9.463 4.298 1.906 1.00 22.13 O ATOM 60 CB ASP A 4 11.598 2.016 1.139 1.00 73.13 C ATOM 61 CG ASP A 4 12.382 1.530 2.342 1.00 45.45 C ATOM 62 OD1 ASP A 4 12.282 0.330 2.669 1.00 24.34 O ATOM 63 OD2 ASP A 4 13.096 2.351 2.956 1.00 41.24 O ATOM 0 H ASP A 4 9.756 2.848 -0.510 1.00 43.21 H new ATOM 0 HA ASP A 4 9.796 1.096 1.863 1.00 51.45 H new ATOM 0 HB2 ASP A 4 11.810 1.372 0.286 1.00 73.13 H new ATOM 0 HB3 ASP A 4 11.932 3.019 0.872 1.00 73.13 H new ATOM 68 N PHE A 5 9.746 2.890 3.639 1.00 42.34 N ATOM 69 CA PHE A 5 9.426 3.893 4.647 1.00 14.25 C ATOM 70 C PHE A 5 10.696 4.452 5.282 1.00 71.11 C ATOM 71 O PHE A 5 11.807 4.055 4.929 1.00 34.44 O ATOM 72 CB PHE A 5 8.525 3.291 5.728 1.00 71.32 C ATOM 73 CG PHE A 5 7.059 3.437 5.436 1.00 72.41 C ATOM 74 CD1 PHE A 5 6.393 4.615 5.735 1.00 63.52 C ATOM 75 CD2 PHE A 5 6.346 2.396 4.863 1.00 20.42 C ATOM 76 CE1 PHE A 5 5.044 4.752 5.467 1.00 3.32 C ATOM 77 CE2 PHE A 5 4.997 2.528 4.593 1.00 61.31 C ATOM 78 CZ PHE A 5 4.345 3.707 4.896 1.00 21.04 C ATOM 0 H PHE A 5 9.971 1.969 4.016 1.00 42.34 H new ATOM 0 HA PHE A 5 8.897 4.709 4.155 1.00 14.25 H new ATOM 0 HB2 PHE A 5 8.762 2.233 5.839 1.00 71.32 H new ATOM 0 HB3 PHE A 5 8.747 3.769 6.682 1.00 71.32 H new ATOM 0 HD1 PHE A 5 6.934 5.435 6.183 1.00 63.52 H new ATOM 0 HD2 PHE A 5 6.850 1.471 4.625 1.00 20.42 H new ATOM 0 HE1 PHE A 5 4.537 5.676 5.704 1.00 3.32 H new ATOM 0 HE2 PHE A 5 4.453 1.709 4.145 1.00 61.31 H new ATOM 0 HZ PHE A 5 3.291 3.812 4.687 1.00 21.04 H new ATOM 88 N LYS A 6 10.524 5.377 6.220 1.00 52.10 N ATOM 89 CA LYS A 6 11.654 5.992 6.906 1.00 64.34 C ATOM 90 C LYS A 6 11.684 5.588 8.376 1.00 31.31 C ATOM 91 O LYS A 6 10.671 5.199 8.959 1.00 40.45 O ATOM 92 CB LYS A 6 11.583 7.516 6.786 1.00 72.43 C ATOM 93 CG LYS A 6 10.184 8.076 6.979 1.00 24.04 C ATOM 94 CD LYS A 6 10.153 9.581 6.771 1.00 32.22 C ATOM 95 CE LYS A 6 10.496 10.328 8.051 1.00 64.21 C ATOM 96 NZ LYS A 6 9.475 10.108 9.112 1.00 2.53 N ATOM 0 H LYS A 6 9.612 5.718 6.523 1.00 52.10 H new ATOM 0 HA LYS A 6 12.570 5.639 6.432 1.00 64.34 H new ATOM 0 HB2 LYS A 6 12.249 7.962 7.525 1.00 72.43 H new ATOM 0 HB3 LYS A 6 11.952 7.813 5.804 1.00 72.43 H new ATOM 0 HG2 LYS A 6 9.499 7.597 6.279 1.00 24.04 H new ATOM 0 HG3 LYS A 6 9.831 7.839 7.983 1.00 24.04 H new ATOM 0 HD2 LYS A 6 10.860 9.856 5.988 1.00 32.22 H new ATOM 0 HD3 LYS A 6 9.163 9.882 6.427 1.00 32.22 H new ATOM 0 HE2 LYS A 6 11.471 10.001 8.412 1.00 64.21 H new ATOM 0 HE3 LYS A 6 10.576 11.394 7.839 1.00 64.21 H new ATOM 0 HZ1 LYS A 6 9.106 11.025 9.434 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 8.695 9.535 8.730 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 9.910 9.609 9.914 1.00 2.53 H new ATOM 110 N PRO A 7 12.871 5.682 8.993 1.00 63.42 N ATOM 111 CA PRO A 7 13.060 5.332 10.404 1.00 43.11 C ATOM 112 C PRO A 7 12.384 6.325 11.343 1.00 51.33 C ATOM 113 O PRO A 7 12.710 7.511 11.347 1.00 4.40 O ATOM 114 CB PRO A 7 14.580 5.379 10.581 1.00 41.25 C ATOM 115 CG PRO A 7 15.055 6.316 9.524 1.00 3.45 C ATOM 116 CD PRO A 7 14.121 6.137 8.360 1.00 32.32 C ATOM 0 HA PRO A 7 12.618 4.365 10.647 1.00 43.11 H new ATOM 0 HB2 PRO A 7 14.852 5.733 11.575 1.00 41.25 H new ATOM 0 HB3 PRO A 7 15.023 4.390 10.462 1.00 41.25 H new ATOM 0 HG2 PRO A 7 15.041 7.346 9.881 1.00 3.45 H new ATOM 0 HG3 PRO A 7 16.083 6.092 9.238 1.00 3.45 H new ATOM 0 HD2 PRO A 7 13.978 7.069 7.812 1.00 32.32 H new ATOM 0 HD3 PRO A 7 14.501 5.404 7.649 1.00 32.32 H new ATOM 124 N GLY A 8 11.439 5.832 12.138 1.00 43.20 N ATOM 125 CA GLY A 8 10.732 6.690 13.070 1.00 2.45 C ATOM 126 C GLY A 8 9.414 7.190 12.514 1.00 73.44 C ATOM 127 O GLY A 8 8.862 8.178 12.998 1.00 71.21 O ATOM 0 H GLY A 8 11.151 4.854 12.153 1.00 43.20 H new ATOM 0 HA2 GLY A 8 10.548 6.143 13.995 1.00 2.45 H new ATOM 0 HA3 GLY A 8 11.362 7.542 13.324 1.00 2.45 H new ATOM 131 N ASP A 9 8.908 6.507 11.492 1.00 23.34 N ATOM 132 CA ASP A 9 7.646 6.887 10.868 1.00 24.11 C ATOM 133 C ASP A 9 6.474 6.175 11.536 1.00 53.41 C ATOM 134 O ASP A 9 6.576 5.007 11.913 1.00 12.44 O ATOM 135 CB ASP A 9 7.673 6.561 9.374 1.00 22.41 C ATOM 136 CG ASP A 9 6.862 7.543 8.552 1.00 3.13 C ATOM 137 OD1 ASP A 9 5.625 7.385 8.488 1.00 31.44 O ATOM 138 OD2 ASP A 9 7.465 8.471 7.974 1.00 53.14 O ATOM 0 H ASP A 9 9.353 5.687 11.079 1.00 23.34 H new ATOM 0 HA ASP A 9 7.515 7.962 10.995 1.00 24.11 H new ATOM 0 HB2 ASP A 9 8.705 6.564 9.023 1.00 22.41 H new ATOM 0 HB3 ASP A 9 7.286 5.554 9.218 1.00 22.41 H new ATOM 143 N LEU A 10 5.361 6.887 11.679 1.00 21.25 N ATOM 144 CA LEU A 10 4.168 6.324 12.303 1.00 63.01 C ATOM 145 C LEU A 10 3.347 5.533 11.291 1.00 75.45 C ATOM 146 O LEU A 10 2.819 6.094 10.330 1.00 43.12 O ATOM 147 CB LEU A 10 3.314 7.437 12.912 1.00 33.00 C ATOM 148 CG LEU A 10 3.986 8.285 13.992 1.00 25.11 C ATOM 149 CD1 LEU A 10 4.765 7.403 14.956 1.00 71.44 C ATOM 150 CD2 LEU A 10 4.901 9.325 13.361 1.00 33.02 C ATOM 0 H LEU A 10 5.260 7.854 11.372 1.00 21.25 H new ATOM 0 HA LEU A 10 4.487 5.645 13.094 1.00 63.01 H new ATOM 0 HB2 LEU A 10 2.989 8.099 12.109 1.00 33.00 H new ATOM 0 HB3 LEU A 10 2.417 6.987 13.337 1.00 33.00 H new ATOM 0 HG LEU A 10 3.210 8.805 14.553 1.00 25.11 H new ATOM 0 HD11 LEU A 10 5.236 8.024 15.718 1.00 71.44 H new ATOM 0 HD12 LEU A 10 4.085 6.697 15.433 1.00 71.44 H new ATOM 0 HD13 LEU A 10 5.532 6.855 14.409 1.00 71.44 H new ATOM 0 HD21 LEU A 10 5.371 9.920 14.145 1.00 33.02 H new ATOM 0 HD22 LEU A 10 5.671 8.824 12.774 1.00 33.02 H new ATOM 0 HD23 LEU A 10 4.317 9.977 12.712 1.00 33.02 H new ATOM 162 N ILE A 11 3.240 4.227 11.514 1.00 43.13 N ATOM 163 CA ILE A 11 2.480 3.360 10.623 1.00 72.32 C ATOM 164 C ILE A 11 1.900 2.168 11.378 1.00 45.21 C ATOM 165 O ILE A 11 2.553 1.597 12.252 1.00 34.20 O ATOM 166 CB ILE A 11 3.350 2.843 9.462 1.00 51.44 C ATOM 167 CG1 ILE A 11 4.558 2.077 10.003 1.00 64.21 C ATOM 168 CG2 ILE A 11 3.800 4.000 8.582 1.00 2.32 C ATOM 169 CD1 ILE A 11 4.313 0.592 10.156 1.00 11.13 C ATOM 0 H ILE A 11 3.670 3.747 12.304 1.00 43.13 H new ATOM 0 HA ILE A 11 1.667 3.961 10.217 1.00 72.32 H new ATOM 0 HB ILE A 11 2.753 2.161 8.856 1.00 51.44 H new ATOM 0 HG12 ILE A 11 5.405 2.230 9.334 1.00 64.21 H new ATOM 0 HG13 ILE A 11 4.838 2.493 10.971 1.00 64.21 H new ATOM 0 HG21 ILE A 11 4.414 3.619 7.766 1.00 2.32 H new ATOM 0 HG22 ILE A 11 2.926 4.507 8.173 1.00 2.32 H new ATOM 0 HG23 ILE A 11 4.383 4.704 9.176 1.00 2.32 H new ATOM 0 HD11 ILE A 11 5.212 0.113 10.544 1.00 11.13 H new ATOM 0 HD12 ILE A 11 3.487 0.429 10.849 1.00 11.13 H new ATOM 0 HD13 ILE A 11 4.063 0.163 9.186 1.00 11.13 H new ATOM 181 N PHE A 12 0.672 1.797 11.033 1.00 31.04 N ATOM 182 CA PHE A 12 0.004 0.672 11.678 1.00 41.20 C ATOM 183 C PHE A 12 0.505 -0.654 11.113 1.00 53.10 C ATOM 184 O PHE A 12 0.286 -0.964 9.943 1.00 74.35 O ATOM 185 CB PHE A 12 -1.511 0.778 11.494 1.00 13.15 C ATOM 186 CG PHE A 12 -2.199 1.518 12.606 1.00 74.11 C ATOM 187 CD1 PHE A 12 -1.775 2.783 12.981 1.00 74.52 C ATOM 188 CD2 PHE A 12 -3.270 0.948 13.276 1.00 10.21 C ATOM 189 CE1 PHE A 12 -2.407 3.466 14.003 1.00 43.21 C ATOM 190 CE2 PHE A 12 -3.905 1.627 14.299 1.00 54.14 C ATOM 191 CZ PHE A 12 -3.472 2.887 14.663 1.00 15.12 C ATOM 0 H PHE A 12 0.119 2.258 10.311 1.00 31.04 H new ATOM 0 HA PHE A 12 0.237 0.704 12.742 1.00 41.20 H new ATOM 0 HB2 PHE A 12 -1.720 1.281 10.550 1.00 13.15 H new ATOM 0 HB3 PHE A 12 -1.931 -0.225 11.421 1.00 13.15 H new ATOM 0 HD1 PHE A 12 -0.941 3.240 12.469 1.00 74.52 H new ATOM 0 HD2 PHE A 12 -3.612 -0.037 12.996 1.00 10.21 H new ATOM 0 HE1 PHE A 12 -2.068 4.452 14.285 1.00 43.21 H new ATOM 0 HE2 PHE A 12 -4.739 1.173 14.813 1.00 54.14 H new ATOM 0 HZ PHE A 12 -3.966 3.418 15.463 1.00 15.12 H new ATOM 201 N ALA A 13 1.179 -1.432 11.954 1.00 54.31 N ATOM 202 CA ALA A 13 1.709 -2.725 11.540 1.00 43.40 C ATOM 203 C ALA A 13 0.620 -3.792 11.542 1.00 12.53 C ATOM 204 O ALA A 13 -0.238 -3.816 12.425 1.00 54.31 O ATOM 205 CB ALA A 13 2.858 -3.139 12.448 1.00 41.44 C ATOM 0 H ALA A 13 1.371 -1.189 12.926 1.00 54.31 H new ATOM 0 HA ALA A 13 2.082 -2.627 10.521 1.00 43.40 H new ATOM 0 HB1 ALA A 13 3.245 -4.106 12.128 1.00 41.44 H new ATOM 0 HB2 ALA A 13 3.652 -2.394 12.392 1.00 41.44 H new ATOM 0 HB3 ALA A 13 2.501 -3.213 13.475 1.00 41.44 H new ATOM 211 N LYS A 14 0.659 -4.673 10.549 1.00 41.23 N ATOM 212 CA LYS A 14 -0.324 -5.743 10.436 1.00 73.44 C ATOM 213 C LYS A 14 0.341 -7.110 10.568 1.00 0.55 C ATOM 214 O LYS A 14 1.014 -7.574 9.649 1.00 22.31 O ATOM 215 CB LYS A 14 -1.058 -5.650 9.096 1.00 15.00 C ATOM 216 CG LYS A 14 -2.101 -6.737 8.897 1.00 42.33 C ATOM 217 CD LYS A 14 -3.468 -6.295 9.390 1.00 13.02 C ATOM 218 CE LYS A 14 -4.493 -7.412 9.266 1.00 31.14 C ATOM 219 NZ LYS A 14 -4.656 -7.862 7.856 1.00 2.31 N ATOM 0 H LYS A 14 1.362 -4.667 9.810 1.00 41.23 H new ATOM 0 HA LYS A 14 -1.043 -5.628 11.247 1.00 73.44 H new ATOM 0 HB2 LYS A 14 -1.542 -4.676 9.023 1.00 15.00 H new ATOM 0 HB3 LYS A 14 -0.329 -5.705 8.287 1.00 15.00 H new ATOM 0 HG2 LYS A 14 -2.161 -6.996 7.840 1.00 42.33 H new ATOM 0 HG3 LYS A 14 -1.795 -7.638 9.429 1.00 42.33 H new ATOM 0 HD2 LYS A 14 -3.396 -5.980 10.431 1.00 13.02 H new ATOM 0 HD3 LYS A 14 -3.800 -5.429 8.817 1.00 13.02 H new ATOM 0 HE2 LYS A 14 -4.186 -8.256 9.883 1.00 31.14 H new ATOM 0 HE3 LYS A 14 -5.453 -7.068 9.651 1.00 31.14 H new ATOM 0 HZ1 LYS A 14 -5.486 -8.485 7.784 1.00 2.31 H new ATOM 0 HZ2 LYS A 14 -4.790 -7.034 7.241 1.00 2.31 H new ATOM 0 HZ3 LYS A 14 -3.806 -8.382 7.557 1.00 2.31 H new ATOM 233 N MET A 15 0.147 -7.748 11.718 1.00 73.03 N ATOM 234 CA MET A 15 0.726 -9.062 11.969 1.00 62.53 C ATOM 235 C MET A 15 -0.159 -10.165 11.396 1.00 63.11 C ATOM 236 O MET A 15 -1.382 -10.129 11.534 1.00 5.23 O ATOM 237 CB MET A 15 0.923 -9.279 13.470 1.00 14.45 C ATOM 238 CG MET A 15 2.291 -8.848 13.973 1.00 41.44 C ATOM 239 SD MET A 15 3.339 -10.245 14.418 1.00 22.35 S ATOM 240 CE MET A 15 2.428 -10.924 15.803 1.00 75.13 C ATOM 0 H MET A 15 -0.406 -7.376 12.490 1.00 73.03 H new ATOM 0 HA MET A 15 1.696 -9.104 11.473 1.00 62.53 H new ATOM 0 HB2 MET A 15 0.155 -8.727 14.012 1.00 14.45 H new ATOM 0 HB3 MET A 15 0.777 -10.335 13.698 1.00 14.45 H new ATOM 0 HG2 MET A 15 2.787 -8.257 13.203 1.00 41.44 H new ATOM 0 HG3 MET A 15 2.167 -8.201 14.841 1.00 41.44 H new ATOM 0 HE1 MET A 15 3.088 -11.008 16.667 1.00 75.13 H new ATOM 0 HE2 MET A 15 1.593 -10.267 16.047 1.00 75.13 H new ATOM 0 HE3 MET A 15 2.048 -11.911 15.540 1.00 75.13 H new ATOM 250 N LYS A 16 0.467 -11.145 10.752 1.00 53.31 N ATOM 251 CA LYS A 16 -0.263 -12.259 10.159 1.00 51.14 C ATOM 252 C LYS A 16 -1.194 -12.905 11.180 1.00 64.31 C ATOM 253 O LYS A 16 -0.742 -13.555 12.122 1.00 42.11 O ATOM 254 CB LYS A 16 0.714 -13.302 9.611 1.00 1.23 C ATOM 255 CG LYS A 16 0.106 -14.212 8.559 1.00 74.13 C ATOM 256 CD LYS A 16 -0.523 -15.446 9.185 1.00 41.15 C ATOM 257 CE LYS A 16 -1.321 -16.243 8.164 1.00 22.43 C ATOM 258 NZ LYS A 16 -0.465 -16.725 7.045 1.00 51.03 N ATOM 0 H LYS A 16 1.478 -11.190 10.628 1.00 53.31 H new ATOM 0 HA LYS A 16 -0.867 -11.870 9.339 1.00 51.14 H new ATOM 0 HB2 LYS A 16 1.576 -12.790 9.182 1.00 1.23 H new ATOM 0 HB3 LYS A 16 1.083 -13.911 10.436 1.00 1.23 H new ATOM 0 HG2 LYS A 16 -0.649 -13.664 7.995 1.00 74.13 H new ATOM 0 HG3 LYS A 16 0.876 -14.515 7.850 1.00 74.13 H new ATOM 0 HD2 LYS A 16 0.257 -16.077 9.612 1.00 41.15 H new ATOM 0 HD3 LYS A 16 -1.175 -15.147 10.005 1.00 41.15 H new ATOM 0 HE2 LYS A 16 -1.791 -17.095 8.655 1.00 22.43 H new ATOM 0 HE3 LYS A 16 -2.124 -15.622 7.766 1.00 22.43 H new ATOM 0 HZ1 LYS A 16 -1.017 -17.361 6.435 1.00 51.03 H new ATOM 0 HZ2 LYS A 16 -0.132 -15.912 6.488 1.00 51.03 H new ATOM 0 HZ3 LYS A 16 0.353 -17.239 7.430 1.00 51.03 H new ATOM 272 N GLY A 17 -2.496 -12.724 10.985 1.00 14.23 N ATOM 273 CA GLY A 17 -3.469 -13.297 11.897 1.00 55.32 C ATOM 274 C GLY A 17 -3.791 -12.375 13.056 1.00 10.22 C ATOM 275 O GLY A 17 -4.222 -12.827 14.117 1.00 31.21 O ATOM 0 H GLY A 17 -2.895 -12.191 10.212 1.00 14.23 H new ATOM 0 HA2 GLY A 17 -4.385 -13.523 11.351 1.00 55.32 H new ATOM 0 HA3 GLY A 17 -3.087 -14.242 12.284 1.00 55.32 H new ATOM 279 N TYR A 18 -3.580 -11.079 12.855 1.00 2.24 N ATOM 280 CA TYR A 18 -3.846 -10.091 13.894 1.00 31.14 C ATOM 281 C TYR A 18 -4.293 -8.766 13.285 1.00 73.05 C ATOM 282 O TYR A 18 -3.950 -8.427 12.152 1.00 73.34 O ATOM 283 CB TYR A 18 -2.599 -9.875 14.753 1.00 12.25 C ATOM 284 CG TYR A 18 -1.992 -11.158 15.273 1.00 64.43 C ATOM 285 CD1 TYR A 18 -1.103 -11.893 14.498 1.00 44.33 C ATOM 286 CD2 TYR A 18 -2.306 -11.636 16.539 1.00 21.11 C ATOM 287 CE1 TYR A 18 -0.546 -13.066 14.968 1.00 62.22 C ATOM 288 CE2 TYR A 18 -1.753 -12.808 17.018 1.00 3.11 C ATOM 289 CZ TYR A 18 -0.874 -13.520 16.229 1.00 43.44 C ATOM 290 OH TYR A 18 -0.320 -14.687 16.701 1.00 31.41 O ATOM 0 H TYR A 18 -3.226 -10.688 11.982 1.00 2.24 H new ATOM 0 HA TYR A 18 -4.651 -10.471 14.523 1.00 31.14 H new ATOM 0 HB2 TYR A 18 -1.852 -9.341 14.166 1.00 12.25 H new ATOM 0 HB3 TYR A 18 -2.856 -9.236 15.598 1.00 12.25 H new ATOM 0 HD1 TYR A 18 -0.843 -11.541 13.511 1.00 44.33 H new ATOM 0 HD2 TYR A 18 -2.994 -11.082 17.160 1.00 21.11 H new ATOM 0 HE1 TYR A 18 0.143 -13.625 14.352 1.00 62.22 H new ATOM 0 HE2 TYR A 18 -2.008 -13.165 18.005 1.00 3.11 H new ATOM 0 HH TYR A 18 -0.654 -14.865 17.605 1.00 31.41 H new ATOM 300 N PRO A 19 -5.078 -7.997 14.054 1.00 41.22 N ATOM 301 CA PRO A 19 -5.589 -6.696 13.612 1.00 2.21 C ATOM 302 C PRO A 19 -4.489 -5.644 13.513 1.00 62.45 C ATOM 303 O PRO A 19 -3.338 -5.900 13.869 1.00 10.30 O ATOM 304 CB PRO A 19 -6.592 -6.319 14.705 1.00 4.34 C ATOM 305 CG PRO A 19 -6.127 -7.053 15.915 1.00 31.52 C ATOM 306 CD PRO A 19 -5.526 -8.338 15.414 1.00 12.34 C ATOM 0 HA PRO A 19 -6.024 -6.747 12.614 1.00 2.21 H new ATOM 0 HB2 PRO A 19 -6.605 -5.243 14.876 1.00 4.34 H new ATOM 0 HB3 PRO A 19 -7.606 -6.611 14.430 1.00 4.34 H new ATOM 0 HG2 PRO A 19 -5.392 -6.468 16.468 1.00 31.52 H new ATOM 0 HG3 PRO A 19 -6.956 -7.249 16.595 1.00 31.52 H new ATOM 0 HD2 PRO A 19 -4.696 -8.665 16.041 1.00 12.34 H new ATOM 0 HD3 PRO A 19 -6.257 -9.147 15.406 1.00 12.34 H new ATOM 314 N HIS A 20 -4.850 -4.461 13.026 1.00 23.12 N ATOM 315 CA HIS A 20 -3.893 -3.370 12.881 1.00 24.10 C ATOM 316 C HIS A 20 -3.494 -2.812 14.244 1.00 63.21 C ATOM 317 O HIS A 20 -4.289 -2.816 15.184 1.00 70.25 O ATOM 318 CB HIS A 20 -4.483 -2.257 12.014 1.00 31.45 C ATOM 319 CG HIS A 20 -5.276 -2.763 10.849 1.00 14.01 C ATOM 320 ND1 HIS A 20 -4.695 -3.283 9.712 1.00 53.33 N ATOM 321 CD2 HIS A 20 -6.614 -2.828 10.650 1.00 63.02 C ATOM 322 CE1 HIS A 20 -5.641 -3.644 8.863 1.00 44.04 C ATOM 323 NE2 HIS A 20 -6.814 -3.379 9.408 1.00 31.01 N ATOM 0 H HIS A 20 -5.798 -4.234 12.725 1.00 23.12 H new ATOM 0 HA HIS A 20 -3.001 -3.765 12.394 1.00 24.10 H new ATOM 0 HB2 HIS A 20 -5.122 -1.626 12.632 1.00 31.45 H new ATOM 0 HB3 HIS A 20 -3.674 -1.627 11.646 1.00 31.45 H new ATOM 0 HD2 HIS A 20 -7.381 -2.507 11.339 1.00 63.02 H new ATOM 0 HE1 HIS A 20 -5.482 -4.082 7.889 1.00 44.04 H new ATOM 0 HE2 HIS A 20 -7.721 -3.555 8.977 1.00 31.01 H new ATOM 331 N TRP A 21 -2.259 -2.335 14.344 1.00 44.45 N ATOM 332 CA TRP A 21 -1.754 -1.774 15.592 1.00 35.22 C ATOM 333 C TRP A 21 -0.745 -0.664 15.322 1.00 12.32 C ATOM 334 O TRP A 21 0.109 -0.769 14.441 1.00 34.14 O ATOM 335 CB TRP A 21 -1.111 -2.870 16.443 1.00 5.35 C ATOM 336 CG TRP A 21 -0.491 -2.353 17.707 1.00 75.30 C ATOM 337 CD1 TRP A 21 0.756 -1.817 17.848 1.00 4.44 C ATOM 338 CD2 TRP A 21 -1.091 -2.327 19.007 1.00 55.23 C ATOM 339 NE1 TRP A 21 0.968 -1.458 19.158 1.00 62.11 N ATOM 340 CE2 TRP A 21 -0.150 -1.760 19.888 1.00 15.14 C ATOM 341 CE3 TRP A 21 -2.332 -2.725 19.511 1.00 14.20 C ATOM 342 CZ2 TRP A 21 -0.413 -1.584 21.244 1.00 13.33 C ATOM 343 CZ3 TRP A 21 -2.592 -2.549 20.857 1.00 64.50 C ATOM 344 CH2 TRP A 21 -1.636 -1.982 21.711 1.00 34.40 C ATOM 0 H TRP A 21 -1.588 -2.325 13.576 1.00 44.45 H new ATOM 0 HA TRP A 21 -2.596 -1.347 16.137 1.00 35.22 H new ATOM 0 HB2 TRP A 21 -1.866 -3.615 16.695 1.00 5.35 H new ATOM 0 HB3 TRP A 21 -0.348 -3.377 15.853 1.00 5.35 H new ATOM 0 HD1 TRP A 21 1.471 -1.693 17.048 1.00 4.44 H new ATOM 0 HE1 TRP A 21 1.820 -1.035 19.526 1.00 62.11 H new ATOM 0 HE3 TRP A 21 -3.075 -3.162 18.860 1.00 14.20 H new ATOM 0 HZ2 TRP A 21 0.323 -1.149 21.904 1.00 13.33 H new ATOM 0 HZ3 TRP A 21 -3.548 -2.853 21.257 1.00 64.50 H new ATOM 0 HH2 TRP A 21 -1.869 -1.857 22.758 1.00 34.40 H new ATOM 355 N PRO A 22 -0.843 0.427 16.097 1.00 45.14 N ATOM 356 CA PRO A 22 0.055 1.578 15.959 1.00 22.15 C ATOM 357 C PRO A 22 1.476 1.262 16.414 1.00 61.01 C ATOM 358 O PRO A 22 1.702 0.898 17.568 1.00 44.54 O ATOM 359 CB PRO A 22 -0.577 2.631 16.873 1.00 45.42 C ATOM 360 CG PRO A 22 -1.342 1.848 17.882 1.00 34.40 C ATOM 361 CD PRO A 22 -1.836 0.621 17.166 1.00 31.10 C ATOM 0 HA PRO A 22 0.153 1.897 14.921 1.00 22.15 H new ATOM 0 HB2 PRO A 22 0.184 3.251 17.347 1.00 45.42 H new ATOM 0 HB3 PRO A 22 -1.230 3.300 16.313 1.00 45.42 H new ATOM 0 HG2 PRO A 22 -0.710 1.578 18.728 1.00 34.40 H new ATOM 0 HG3 PRO A 22 -2.174 2.430 18.279 1.00 34.40 H new ATOM 0 HD2 PRO A 22 -1.883 -0.241 17.832 1.00 31.10 H new ATOM 0 HD3 PRO A 22 -2.838 0.767 16.762 1.00 31.10 H new ATOM 369 N ALA A 23 2.430 1.404 15.500 1.00 61.44 N ATOM 370 CA ALA A 23 3.829 1.136 15.808 1.00 64.33 C ATOM 371 C ALA A 23 4.748 2.113 15.082 1.00 21.23 C ATOM 372 O ALA A 23 4.284 3.034 14.410 1.00 33.04 O ATOM 373 CB ALA A 23 4.185 -0.298 15.442 1.00 44.45 C ATOM 0 H ALA A 23 2.259 1.703 14.540 1.00 61.44 H new ATOM 0 HA ALA A 23 3.972 1.272 16.880 1.00 64.33 H new ATOM 0 HB1 ALA A 23 5.233 -0.484 15.677 1.00 44.45 H new ATOM 0 HB2 ALA A 23 3.558 -0.985 16.010 1.00 44.45 H new ATOM 0 HB3 ALA A 23 4.020 -0.453 14.376 1.00 44.45 H new ATOM 379 N ARG A 24 6.053 1.906 15.223 1.00 4.30 N ATOM 380 CA ARG A 24 7.037 2.771 14.582 1.00 22.33 C ATOM 381 C ARG A 24 8.017 1.953 13.746 1.00 71.21 C ATOM 382 O ARG A 24 8.050 0.725 13.833 1.00 13.21 O ATOM 383 CB ARG A 24 7.799 3.579 15.634 1.00 1.11 C ATOM 384 CG ARG A 24 8.559 2.719 16.630 1.00 23.03 C ATOM 385 CD ARG A 24 10.003 2.510 16.199 1.00 15.50 C ATOM 386 NE ARG A 24 10.724 3.774 16.073 1.00 61.11 N ATOM 387 CZ ARG A 24 12.047 3.860 15.990 1.00 61.51 C ATOM 388 NH1 ARG A 24 12.789 2.761 16.019 1.00 11.11 N ATOM 389 NH2 ARG A 24 12.631 5.046 15.877 1.00 74.10 N ATOM 0 H ARG A 24 6.454 1.148 15.775 1.00 4.30 H new ATOM 0 HA ARG A 24 6.506 3.456 13.921 1.00 22.33 H new ATOM 0 HB2 ARG A 24 8.501 4.244 15.131 1.00 1.11 H new ATOM 0 HB3 ARG A 24 7.094 4.210 16.175 1.00 1.11 H new ATOM 0 HG2 ARG A 24 8.536 3.192 17.612 1.00 23.03 H new ATOM 0 HG3 ARG A 24 8.065 1.753 16.730 1.00 23.03 H new ATOM 0 HD2 ARG A 24 10.510 1.874 16.925 1.00 15.50 H new ATOM 0 HD3 ARG A 24 10.024 1.984 15.245 1.00 15.50 H new ATOM 0 HE ARG A 24 10.182 4.638 16.047 1.00 61.11 H new ATOM 0 HH11 ARG A 24 12.344 1.847 16.105 1.00 11.11 H new ATOM 0 HH12 ARG A 24 13.805 2.830 15.955 1.00 11.11 H new ATOM 0 HH21 ARG A 24 12.064 5.894 15.854 1.00 74.10 H new ATOM 0 HH22 ARG A 24 13.647 5.110 15.813 1.00 74.10 H new ATOM 403 N VAL A 25 8.814 2.642 12.935 1.00 75.30 N ATOM 404 CA VAL A 25 9.794 1.980 12.083 1.00 24.12 C ATOM 405 C VAL A 25 11.204 2.138 12.642 1.00 12.34 C ATOM 406 O VAL A 25 11.602 3.230 13.049 1.00 65.14 O ATOM 407 CB VAL A 25 9.758 2.537 10.648 1.00 70.14 C ATOM 408 CG1 VAL A 25 10.769 1.816 9.769 1.00 3.42 C ATOM 409 CG2 VAL A 25 8.357 2.421 10.067 1.00 73.20 C ATOM 0 H VAL A 25 8.800 3.658 12.850 1.00 75.30 H new ATOM 0 HA VAL A 25 9.531 0.922 12.061 1.00 24.12 H new ATOM 0 HB VAL A 25 10.028 3.593 10.680 1.00 70.14 H new ATOM 0 HG11 VAL A 25 10.729 2.223 8.759 1.00 3.42 H new ATOM 0 HG12 VAL A 25 11.770 1.955 10.177 1.00 3.42 H new ATOM 0 HG13 VAL A 25 10.533 0.752 9.741 1.00 3.42 H new ATOM 0 HG21 VAL A 25 8.350 2.819 9.052 1.00 73.20 H new ATOM 0 HG22 VAL A 25 8.057 1.373 10.048 1.00 73.20 H new ATOM 0 HG23 VAL A 25 7.659 2.987 10.684 1.00 73.20 H new ATOM 419 N ASP A 26 11.954 1.042 12.660 1.00 51.12 N ATOM 420 CA ASP A 26 13.321 1.059 13.168 1.00 72.11 C ATOM 421 C ASP A 26 14.327 1.044 12.021 1.00 11.33 C ATOM 422 O ASP A 26 13.965 0.809 10.869 1.00 0.30 O ATOM 423 CB ASP A 26 13.560 -0.139 14.088 1.00 2.03 C ATOM 424 CG ASP A 26 14.576 0.159 15.174 1.00 73.12 C ATOM 425 OD1 ASP A 26 15.225 1.224 15.103 1.00 30.45 O ATOM 426 OD2 ASP A 26 14.721 -0.672 16.094 1.00 34.33 O ATOM 0 H ASP A 26 11.639 0.130 12.329 1.00 51.12 H new ATOM 0 HA ASP A 26 13.460 1.978 13.737 1.00 72.11 H new ATOM 0 HB2 ASP A 26 12.617 -0.434 14.548 1.00 2.03 H new ATOM 0 HB3 ASP A 26 13.904 -0.986 13.495 1.00 2.03 H new ATOM 431 N GLU A 27 15.591 1.298 12.346 1.00 13.24 N ATOM 432 CA GLU A 27 16.648 1.316 11.342 1.00 22.05 C ATOM 433 C GLU A 27 17.284 -0.064 11.197 1.00 11.35 C ATOM 434 O GLU A 27 16.992 -0.978 11.968 1.00 71.30 O ATOM 435 CB GLU A 27 17.717 2.346 11.714 1.00 62.22 C ATOM 436 CG GLU A 27 17.197 3.773 11.761 1.00 24.33 C ATOM 437 CD GLU A 27 18.204 4.741 12.353 1.00 74.24 C ATOM 438 OE1 GLU A 27 19.417 4.545 12.128 1.00 14.23 O ATOM 439 OE2 GLU A 27 17.779 5.693 13.039 1.00 12.23 O ATOM 0 H GLU A 27 15.907 1.494 13.296 1.00 13.24 H new ATOM 0 HA GLU A 27 16.203 1.594 10.387 1.00 22.05 H new ATOM 0 HB2 GLU A 27 18.135 2.088 12.687 1.00 62.22 H new ATOM 0 HB3 GLU A 27 18.532 2.289 10.992 1.00 62.22 H new ATOM 0 HG2 GLU A 27 16.938 4.095 10.752 1.00 24.33 H new ATOM 0 HG3 GLU A 27 16.280 3.803 12.350 1.00 24.33 H new ATOM 585 N ASN A 38 12.835 -9.735 3.165 1.00 75.11 N ATOM 586 CA ASN A 38 11.844 -9.024 2.365 1.00 33.21 C ATOM 587 C ASN A 38 10.883 -8.244 3.257 1.00 10.21 C ATOM 588 O ASN A 38 9.737 -7.992 2.884 1.00 60.02 O ATOM 589 CB ASN A 38 11.062 -10.008 1.492 1.00 52.41 C ATOM 590 CG ASN A 38 10.052 -10.811 2.288 1.00 21.43 C ATOM 591 OD1 ASN A 38 10.410 -11.522 3.228 1.00 71.23 O ATOM 592 ND2 ASN A 38 8.782 -10.702 1.915 1.00 24.21 N ATOM 0 HA ASN A 38 12.370 -8.318 1.723 1.00 33.21 H new ATOM 0 HB2 ASN A 38 10.546 -9.459 0.704 1.00 52.41 H new ATOM 0 HB3 ASN A 38 11.759 -10.689 1.003 1.00 52.41 H new ATOM 0 HD21 ASN A 38 8.058 -11.219 2.413 1.00 24.21 H new ATOM 0 HD22 ASN A 38 8.531 -10.101 1.130 1.00 24.21 H new ATOM 599 N LYS A 39 11.358 -7.863 4.438 1.00 41.41 N ATOM 600 CA LYS A 39 10.544 -7.109 5.384 1.00 52.12 C ATOM 601 C LYS A 39 11.384 -6.069 6.118 1.00 64.22 C ATOM 602 O LYS A 39 12.602 -6.005 5.943 1.00 1.15 O ATOM 603 CB LYS A 39 9.889 -8.056 6.393 1.00 44.35 C ATOM 604 CG LYS A 39 9.261 -9.283 5.756 1.00 63.33 C ATOM 605 CD LYS A 39 8.602 -10.175 6.795 1.00 43.04 C ATOM 606 CE LYS A 39 8.423 -11.594 6.278 1.00 61.30 C ATOM 607 NZ LYS A 39 9.644 -12.420 6.490 1.00 31.14 N ATOM 0 H LYS A 39 12.304 -8.064 4.763 1.00 41.41 H new ATOM 0 HA LYS A 39 9.766 -6.591 4.823 1.00 52.12 H new ATOM 0 HB2 LYS A 39 10.638 -8.376 7.117 1.00 44.35 H new ATOM 0 HB3 LYS A 39 9.123 -7.512 6.946 1.00 44.35 H new ATOM 0 HG2 LYS A 39 8.520 -8.973 5.019 1.00 63.33 H new ATOM 0 HG3 LYS A 39 10.025 -9.848 5.222 1.00 63.33 H new ATOM 0 HD2 LYS A 39 9.209 -10.190 7.700 1.00 43.04 H new ATOM 0 HD3 LYS A 39 7.631 -9.761 7.069 1.00 43.04 H new ATOM 0 HE2 LYS A 39 7.577 -12.060 6.783 1.00 61.30 H new ATOM 0 HE3 LYS A 39 8.184 -11.566 5.215 1.00 61.30 H new ATOM 0 HZ1 LYS A 39 9.482 -13.380 6.124 1.00 31.14 H new ATOM 0 HZ2 LYS A 39 10.446 -11.989 5.987 1.00 31.14 H new ATOM 0 HZ3 LYS A 39 9.858 -12.469 7.507 1.00 31.14 H new ATOM 621 N LEU A 40 10.728 -5.258 6.940 1.00 42.21 N ATOM 622 CA LEU A 40 11.416 -4.221 7.702 1.00 32.43 C ATOM 623 C LEU A 40 11.109 -4.347 9.191 1.00 3.12 C ATOM 624 O LEU A 40 10.117 -4.953 9.597 1.00 42.30 O ATOM 625 CB LEU A 40 11.007 -2.835 7.201 1.00 74.53 C ATOM 626 CG LEU A 40 9.566 -2.699 6.707 1.00 11.30 C ATOM 627 CD1 LEU A 40 9.054 -1.286 6.940 1.00 54.11 C ATOM 628 CD2 LEU A 40 9.470 -3.067 5.234 1.00 52.34 C ATOM 0 H LEU A 40 9.721 -5.298 7.096 1.00 42.21 H new ATOM 0 HA LEU A 40 12.489 -4.350 7.558 1.00 32.43 H new ATOM 0 HB2 LEU A 40 11.163 -2.118 8.007 1.00 74.53 H new ATOM 0 HB3 LEU A 40 11.677 -2.552 6.389 1.00 74.53 H new ATOM 0 HG LEU A 40 8.941 -3.389 7.274 1.00 11.30 H new ATOM 0 HD11 LEU A 40 8.027 -1.207 6.583 1.00 54.11 H new ATOM 0 HD12 LEU A 40 9.086 -1.059 8.006 1.00 54.11 H new ATOM 0 HD13 LEU A 40 9.682 -0.578 6.399 1.00 54.11 H new ATOM 0 HD21 LEU A 40 8.438 -2.964 4.900 1.00 52.34 H new ATOM 0 HD22 LEU A 40 10.108 -2.403 4.651 1.00 52.34 H new ATOM 0 HD23 LEU A 40 9.796 -4.098 5.095 1.00 52.34 H new ATOM 640 N PRO A 41 11.979 -3.759 10.026 1.00 20.33 N ATOM 641 CA PRO A 41 11.821 -3.789 11.483 1.00 20.13 C ATOM 642 C PRO A 41 10.644 -2.942 11.956 1.00 24.33 C ATOM 643 O PRO A 41 10.583 -1.743 11.685 1.00 14.34 O ATOM 644 CB PRO A 41 13.140 -3.205 11.995 1.00 21.02 C ATOM 645 CG PRO A 41 13.633 -2.349 10.880 1.00 0.54 C ATOM 646 CD PRO A 41 13.183 -3.020 9.612 1.00 24.13 C ATOM 0 HA PRO A 41 11.613 -4.794 11.850 1.00 20.13 H new ATOM 0 HB2 PRO A 41 12.989 -2.623 12.904 1.00 21.02 H new ATOM 0 HB3 PRO A 41 13.855 -3.992 12.236 1.00 21.02 H new ATOM 0 HG2 PRO A 41 13.226 -1.340 10.953 1.00 0.54 H new ATOM 0 HG3 PRO A 41 14.719 -2.258 10.909 1.00 0.54 H new ATOM 0 HD2 PRO A 41 12.960 -2.294 8.830 1.00 24.13 H new ATOM 0 HD3 PRO A 41 13.949 -3.688 9.217 1.00 24.13 H new ATOM 654 N ILE A 42 9.714 -3.574 12.664 1.00 53.41 N ATOM 655 CA ILE A 42 8.540 -2.877 13.175 1.00 1.25 C ATOM 656 C ILE A 42 8.455 -2.985 14.694 1.00 1.01 C ATOM 657 O ILE A 42 8.123 -4.040 15.235 1.00 63.35 O ATOM 658 CB ILE A 42 7.243 -3.432 12.559 1.00 34.11 C ATOM 659 CG1 ILE A 42 7.360 -3.490 11.035 1.00 65.23 C ATOM 660 CG2 ILE A 42 6.053 -2.578 12.972 1.00 73.45 C ATOM 661 CD1 ILE A 42 7.647 -2.148 10.399 1.00 13.31 C ATOM 0 H ILE A 42 9.751 -4.566 12.897 1.00 53.41 H new ATOM 0 HA ILE A 42 8.647 -1.830 12.893 1.00 1.25 H new ATOM 0 HB ILE A 42 7.086 -4.444 12.931 1.00 34.11 H new ATOM 0 HG12 ILE A 42 8.153 -4.187 10.766 1.00 65.23 H new ATOM 0 HG13 ILE A 42 6.433 -3.888 10.622 1.00 65.23 H new ATOM 0 HG21 ILE A 42 5.143 -2.983 12.529 1.00 73.45 H new ATOM 0 HG22 ILE A 42 5.961 -2.583 14.058 1.00 73.45 H new ATOM 0 HG23 ILE A 42 6.201 -1.555 12.625 1.00 73.45 H new ATOM 0 HD11 ILE A 42 7.717 -2.265 9.318 1.00 13.31 H new ATOM 0 HD12 ILE A 42 6.842 -1.453 10.637 1.00 13.31 H new ATOM 0 HD13 ILE A 42 8.589 -1.757 10.783 1.00 13.31 H new ATOM 673 N PHE A 43 8.755 -1.886 15.378 1.00 45.21 N ATOM 674 CA PHE A 43 8.712 -1.856 16.835 1.00 23.22 C ATOM 675 C PHE A 43 7.288 -1.626 17.333 1.00 42.15 C ATOM 676 O PHE A 43 6.768 -0.512 17.266 1.00 10.03 O ATOM 677 CB PHE A 43 9.635 -0.760 17.372 1.00 64.32 C ATOM 678 CG PHE A 43 9.804 -0.796 18.864 1.00 55.51 C ATOM 679 CD1 PHE A 43 10.199 -1.960 19.503 1.00 54.15 C ATOM 680 CD2 PHE A 43 9.566 0.336 19.628 1.00 70.30 C ATOM 681 CE1 PHE A 43 10.355 -1.996 20.875 1.00 14.35 C ATOM 682 CE2 PHE A 43 9.721 0.306 21.001 1.00 12.00 C ATOM 683 CZ PHE A 43 10.114 -0.861 21.626 1.00 63.33 C ATOM 0 H PHE A 43 9.031 -1.004 14.946 1.00 45.21 H new ATOM 0 HA PHE A 43 9.055 -2.823 17.203 1.00 23.22 H new ATOM 0 HB2 PHE A 43 10.613 -0.857 16.901 1.00 64.32 H new ATOM 0 HB3 PHE A 43 9.237 0.213 17.083 1.00 64.32 H new ATOM 0 HD1 PHE A 43 10.387 -2.850 18.921 1.00 54.15 H new ATOM 0 HD2 PHE A 43 9.256 1.251 19.145 1.00 70.30 H new ATOM 0 HE1 PHE A 43 10.665 -2.910 21.360 1.00 14.35 H new ATOM 0 HE2 PHE A 43 9.535 1.195 21.585 1.00 12.00 H new ATOM 0 HZ PHE A 43 10.233 -0.887 22.699 1.00 63.33 H new ATOM 693 N PHE A 44 6.663 -2.688 17.830 1.00 12.42 N ATOM 694 CA PHE A 44 5.298 -2.603 18.338 1.00 43.23 C ATOM 695 C PHE A 44 5.248 -1.795 19.631 1.00 23.23 C ATOM 696 O PHE A 44 5.750 -2.230 20.668 1.00 65.22 O ATOM 697 CB PHE A 44 4.732 -4.004 18.576 1.00 63.31 C ATOM 698 CG PHE A 44 4.159 -4.637 17.340 1.00 20.34 C ATOM 699 CD1 PHE A 44 3.273 -3.939 16.536 1.00 70.23 C ATOM 700 CD2 PHE A 44 4.506 -5.930 16.983 1.00 25.13 C ATOM 701 CE1 PHE A 44 2.743 -4.520 15.399 1.00 45.33 C ATOM 702 CE2 PHE A 44 3.981 -6.516 15.847 1.00 15.21 C ATOM 703 CZ PHE A 44 3.099 -5.809 15.053 1.00 34.13 C ATOM 0 H PHE A 44 7.079 -3.617 17.892 1.00 12.42 H new ATOM 0 HA PHE A 44 4.689 -2.095 17.590 1.00 43.23 H new ATOM 0 HB2 PHE A 44 5.522 -4.644 18.970 1.00 63.31 H new ATOM 0 HB3 PHE A 44 3.956 -3.949 19.339 1.00 63.31 H new ATOM 0 HD1 PHE A 44 2.993 -2.930 16.800 1.00 70.23 H new ATOM 0 HD2 PHE A 44 5.195 -6.487 17.600 1.00 25.13 H new ATOM 0 HE1 PHE A 44 2.051 -3.966 14.782 1.00 45.33 H new ATOM 0 HE2 PHE A 44 4.260 -7.525 15.580 1.00 15.21 H new ATOM 0 HZ PHE A 44 2.689 -6.263 14.163 1.00 34.13 H new ATOM 713 N PHE A 45 4.639 -0.616 19.562 1.00 23.04 N ATOM 714 CA PHE A 45 4.524 0.254 20.727 1.00 44.32 C ATOM 715 C PHE A 45 3.496 -0.290 21.713 1.00 35.13 C ATOM 716 O PHE A 45 2.500 -0.895 21.318 1.00 20.42 O ATOM 717 CB PHE A 45 4.135 1.670 20.296 1.00 71.25 C ATOM 718 CG PHE A 45 5.305 2.604 20.180 1.00 50.44 C ATOM 719 CD1 PHE A 45 6.219 2.723 21.214 1.00 64.52 C ATOM 720 CD2 PHE A 45 5.490 3.365 19.036 1.00 1.24 C ATOM 721 CE1 PHE A 45 7.297 3.581 21.110 1.00 5.42 C ATOM 722 CE2 PHE A 45 6.566 4.225 18.927 1.00 44.30 C ATOM 723 CZ PHE A 45 7.470 4.334 19.966 1.00 44.55 C ATOM 0 H PHE A 45 4.218 -0.241 18.712 1.00 23.04 H new ATOM 0 HA PHE A 45 5.494 0.286 21.222 1.00 44.32 H new ATOM 0 HB2 PHE A 45 3.623 1.621 19.335 1.00 71.25 H new ATOM 0 HB3 PHE A 45 3.425 2.078 21.015 1.00 71.25 H new ATOM 0 HD1 PHE A 45 6.087 2.138 22.112 1.00 64.52 H new ATOM 0 HD2 PHE A 45 4.786 3.285 18.221 1.00 1.24 H new ATOM 0 HE1 PHE A 45 8.003 3.662 21.923 1.00 5.42 H new ATOM 0 HE2 PHE A 45 6.700 4.812 18.030 1.00 44.30 H new ATOM 0 HZ PHE A 45 8.311 5.007 19.883 1.00 44.55 H new ATOM 733 N GLY A 46 3.745 -0.070 23.001 1.00 74.32 N ATOM 734 CA GLY A 46 2.832 -0.545 24.025 1.00 63.44 C ATOM 735 C GLY A 46 3.212 -1.916 24.549 1.00 41.01 C ATOM 736 O GLY A 46 3.068 -2.196 25.739 1.00 32.34 O ATOM 0 H GLY A 46 4.562 0.428 23.353 1.00 74.32 H new ATOM 0 HA2 GLY A 46 2.817 0.165 24.852 1.00 63.44 H new ATOM 0 HA3 GLY A 46 1.822 -0.582 23.618 1.00 63.44 H new ATOM 740 N THR A 47 3.698 -2.775 23.658 1.00 2.01 N ATOM 741 CA THR A 47 4.097 -4.125 24.037 1.00 41.34 C ATOM 742 C THR A 47 5.609 -4.297 23.947 1.00 41.32 C ATOM 743 O THR A 47 6.153 -5.322 24.359 1.00 0.44 O ATOM 744 CB THR A 47 3.418 -5.182 23.146 1.00 53.22 C ATOM 745 OG1 THR A 47 3.922 -5.093 21.809 1.00 64.24 O ATOM 746 CG2 THR A 47 1.908 -4.993 23.137 1.00 23.01 C ATOM 0 H THR A 47 3.825 -2.560 22.669 1.00 2.01 H new ATOM 0 HA THR A 47 3.778 -4.271 25.069 1.00 41.34 H new ATOM 0 HB THR A 47 3.643 -6.167 23.554 1.00 53.22 H new ATOM 0 HG1 THR A 47 3.184 -5.202 21.173 1.00 64.24 H new ATOM 0 HG21 THR A 47 1.450 -5.751 22.501 1.00 23.01 H new ATOM 0 HG22 THR A 47 1.523 -5.090 24.152 1.00 23.01 H new ATOM 0 HG23 THR A 47 1.668 -4.002 22.751 1.00 23.01 H new ATOM 754 N HIS A 48 6.284 -3.287 23.406 1.00 72.33 N ATOM 755 CA HIS A 48 7.735 -3.327 23.263 1.00 11.12 C ATOM 756 C HIS A 48 8.168 -4.543 22.449 1.00 11.34 C ATOM 757 O HIS A 48 9.271 -5.058 22.627 1.00 60.24 O ATOM 758 CB HIS A 48 8.403 -3.355 24.638 1.00 10.22 C ATOM 759 CG HIS A 48 8.220 -2.090 25.419 1.00 54.11 C ATOM 760 ND1 HIS A 48 8.465 -0.839 24.893 1.00 1.15 N ATOM 761 CD2 HIS A 48 7.810 -1.887 26.693 1.00 23.52 C ATOM 762 CE1 HIS A 48 8.217 0.078 25.811 1.00 15.23 C ATOM 763 NE2 HIS A 48 7.817 -0.532 26.913 1.00 42.14 N ATOM 0 H HIS A 48 5.849 -2.432 23.060 1.00 72.33 H new ATOM 0 HA HIS A 48 8.048 -2.427 22.733 1.00 11.12 H new ATOM 0 HB2 HIS A 48 7.999 -4.189 25.212 1.00 10.22 H new ATOM 0 HB3 HIS A 48 9.469 -3.543 24.511 1.00 10.22 H new ATOM 0 HD2 HIS A 48 7.529 -2.650 27.404 1.00 23.52 H new ATOM 0 HE1 HIS A 48 8.323 1.145 25.683 1.00 15.23 H new ATOM 0 HE2 HIS A 48 7.556 -0.071 27.785 1.00 42.14 H new ATOM 771 N GLU A 49 7.291 -4.995 21.558 1.00 22.23 N ATOM 772 CA GLU A 49 7.584 -6.151 20.719 1.00 34.42 C ATOM 773 C GLU A 49 8.172 -5.717 19.380 1.00 53.22 C ATOM 774 O GLU A 49 8.268 -4.524 19.088 1.00 25.21 O ATOM 775 CB GLU A 49 6.315 -6.976 20.488 1.00 3.33 C ATOM 776 CG GLU A 49 5.641 -7.428 21.773 1.00 40.33 C ATOM 777 CD GLU A 49 4.255 -7.995 21.536 1.00 51.15 C ATOM 778 OE1 GLU A 49 3.557 -7.494 20.629 1.00 72.10 O ATOM 779 OE2 GLU A 49 3.868 -8.939 22.256 1.00 41.42 O ATOM 0 H GLU A 49 6.373 -4.579 21.399 1.00 22.23 H new ATOM 0 HA GLU A 49 8.320 -6.766 21.237 1.00 34.42 H new ATOM 0 HB2 GLU A 49 5.608 -6.385 19.905 1.00 3.33 H new ATOM 0 HB3 GLU A 49 6.565 -7.853 19.891 1.00 3.33 H new ATOM 0 HG2 GLU A 49 6.260 -8.183 22.258 1.00 40.33 H new ATOM 0 HG3 GLU A 49 5.572 -6.584 22.459 1.00 40.33 H new ATOM 786 N THR A 50 8.564 -6.693 18.568 1.00 64.43 N ATOM 787 CA THR A 50 9.145 -6.413 17.260 1.00 33.44 C ATOM 788 C THR A 50 8.774 -7.494 16.251 1.00 21.45 C ATOM 789 O THR A 50 9.014 -8.679 16.481 1.00 64.32 O ATOM 790 CB THR A 50 10.679 -6.304 17.339 1.00 62.45 C ATOM 791 OG1 THR A 50 11.240 -6.326 16.021 1.00 55.10 O ATOM 792 CG2 THR A 50 11.261 -7.444 18.161 1.00 4.34 C ATOM 0 H THR A 50 8.490 -7.685 18.793 1.00 64.43 H new ATOM 0 HA THR A 50 8.737 -5.457 16.930 1.00 33.44 H new ATOM 0 HB THR A 50 10.929 -5.361 17.825 1.00 62.45 H new ATOM 0 HG1 THR A 50 12.216 -6.255 16.080 1.00 55.10 H new ATOM 0 HG21 THR A 50 12.346 -7.346 18.203 1.00 4.34 H new ATOM 0 HG22 THR A 50 10.854 -7.408 19.172 1.00 4.34 H new ATOM 0 HG23 THR A 50 11.000 -8.396 17.698 1.00 4.34 H new ATOM 800 N ALA A 51 8.188 -7.078 15.134 1.00 62.24 N ATOM 801 CA ALA A 51 7.787 -8.011 14.088 1.00 21.32 C ATOM 802 C ALA A 51 8.264 -7.540 12.719 1.00 43.22 C ATOM 803 O ALA A 51 8.302 -6.341 12.443 1.00 45.44 O ATOM 804 CB ALA A 51 6.276 -8.189 14.090 1.00 10.34 C ATOM 0 H ALA A 51 7.980 -6.101 14.930 1.00 62.24 H new ATOM 0 HA ALA A 51 8.256 -8.973 14.295 1.00 21.32 H new ATOM 0 HB1 ALA A 51 5.991 -8.888 13.304 1.00 10.34 H new ATOM 0 HB2 ALA A 51 5.957 -8.580 15.056 1.00 10.34 H new ATOM 0 HB3 ALA A 51 5.796 -7.227 13.911 1.00 10.34 H new ATOM 810 N PHE A 52 8.628 -8.490 11.865 1.00 62.45 N ATOM 811 CA PHE A 52 9.105 -8.172 10.524 1.00 51.23 C ATOM 812 C PHE A 52 7.976 -8.286 9.504 1.00 52.14 C ATOM 813 O PHE A 52 7.407 -9.361 9.308 1.00 52.43 O ATOM 814 CB PHE A 52 10.255 -9.102 10.134 1.00 64.20 C ATOM 815 CG PHE A 52 11.563 -8.741 10.778 1.00 2.33 C ATOM 816 CD1 PHE A 52 12.071 -7.456 10.673 1.00 52.11 C ATOM 817 CD2 PHE A 52 12.285 -9.686 11.489 1.00 61.22 C ATOM 818 CE1 PHE A 52 13.274 -7.120 11.265 1.00 52.21 C ATOM 819 CE2 PHE A 52 13.488 -9.356 12.083 1.00 3.23 C ATOM 820 CZ PHE A 52 13.984 -8.072 11.970 1.00 11.52 C ATOM 0 H PHE A 52 8.602 -9.487 12.078 1.00 62.45 H new ATOM 0 HA PHE A 52 9.465 -7.143 10.529 1.00 51.23 H new ATOM 0 HB2 PHE A 52 9.994 -10.124 10.408 1.00 64.20 H new ATOM 0 HB3 PHE A 52 10.375 -9.084 9.051 1.00 64.20 H new ATOM 0 HD1 PHE A 52 11.520 -6.708 10.122 1.00 52.11 H new ATOM 0 HD2 PHE A 52 11.903 -10.692 11.580 1.00 61.22 H new ATOM 0 HE1 PHE A 52 13.658 -6.115 11.176 1.00 52.21 H new ATOM 0 HE2 PHE A 52 14.040 -10.102 12.635 1.00 3.23 H new ATOM 0 HZ PHE A 52 14.925 -7.813 12.432 1.00 11.52 H new ATOM 830 N LEU A 53 7.656 -7.170 8.857 1.00 62.41 N ATOM 831 CA LEU A 53 6.595 -7.143 7.857 1.00 74.33 C ATOM 832 C LEU A 53 6.940 -6.185 6.722 1.00 44.05 C ATOM 833 O LEU A 53 7.342 -5.046 6.957 1.00 21.33 O ATOM 834 CB LEU A 53 5.270 -6.732 8.501 1.00 11.33 C ATOM 835 CG LEU A 53 4.936 -7.400 9.836 1.00 64.15 C ATOM 836 CD1 LEU A 53 3.841 -6.632 10.559 1.00 43.34 C ATOM 837 CD2 LEU A 53 4.520 -8.847 9.618 1.00 61.55 C ATOM 0 H LEU A 53 8.116 -6.272 9.007 1.00 62.41 H new ATOM 0 HA LEU A 53 6.495 -8.146 7.443 1.00 74.33 H new ATOM 0 HB2 LEU A 53 5.281 -5.652 8.651 1.00 11.33 H new ATOM 0 HB3 LEU A 53 4.465 -6.948 7.798 1.00 11.33 H new ATOM 0 HG LEU A 53 5.830 -7.389 10.459 1.00 64.15 H new ATOM 0 HD11 LEU A 53 3.617 -7.123 11.506 1.00 43.34 H new ATOM 0 HD12 LEU A 53 4.176 -5.612 10.749 1.00 43.34 H new ATOM 0 HD13 LEU A 53 2.943 -6.610 9.941 1.00 43.34 H new ATOM 0 HD21 LEU A 53 4.286 -9.307 10.578 1.00 61.55 H new ATOM 0 HD22 LEU A 53 3.640 -8.880 8.976 1.00 61.55 H new ATOM 0 HD23 LEU A 53 5.336 -9.393 9.144 1.00 61.55 H new ATOM 849 N GLY A 54 6.779 -6.654 5.488 1.00 61.02 N ATOM 850 CA GLY A 54 7.077 -5.825 4.334 1.00 35.23 C ATOM 851 C GLY A 54 6.270 -4.542 4.319 1.00 51.11 C ATOM 852 O GLY A 54 5.468 -4.277 5.215 1.00 41.22 O ATOM 0 H GLY A 54 6.448 -7.593 5.267 1.00 61.02 H new ATOM 0 HA2 GLY A 54 8.140 -5.582 4.329 1.00 35.23 H new ATOM 0 HA3 GLY A 54 6.875 -6.389 3.423 1.00 35.23 H new ATOM 856 N PRO A 55 6.480 -3.718 3.281 1.00 25.43 N ATOM 857 CA PRO A 55 5.777 -2.442 3.129 1.00 52.54 C ATOM 858 C PRO A 55 4.298 -2.629 2.806 1.00 65.34 C ATOM 859 O PRO A 55 3.444 -1.906 3.317 1.00 54.20 O ATOM 860 CB PRO A 55 6.500 -1.776 1.955 1.00 22.02 C ATOM 861 CG PRO A 55 7.073 -2.907 1.173 1.00 42.11 C ATOM 862 CD PRO A 55 7.421 -3.971 2.177 1.00 4.30 C ATOM 0 HA PRO A 55 5.795 -1.855 4.047 1.00 52.54 H new ATOM 0 HB2 PRO A 55 5.812 -1.185 1.350 1.00 22.02 H new ATOM 0 HB3 PRO A 55 7.281 -1.100 2.303 1.00 22.02 H new ATOM 0 HG2 PRO A 55 6.355 -3.280 0.443 1.00 42.11 H new ATOM 0 HG3 PRO A 55 7.956 -2.590 0.618 1.00 42.11 H new ATOM 0 HD2 PRO A 55 7.295 -4.971 1.763 1.00 4.30 H new ATOM 0 HD3 PRO A 55 8.457 -3.890 2.506 1.00 4.30 H new ATOM 870 N LYS A 56 4.003 -3.606 1.954 1.00 1.41 N ATOM 871 CA LYS A 56 2.628 -3.891 1.563 1.00 15.35 C ATOM 872 C LYS A 56 1.821 -4.407 2.751 1.00 73.15 C ATOM 873 O LYS A 56 0.592 -4.460 2.702 1.00 73.33 O ATOM 874 CB LYS A 56 2.600 -4.918 0.429 1.00 1.32 C ATOM 875 CG LYS A 56 2.805 -4.309 -0.947 1.00 64.23 C ATOM 876 CD LYS A 56 3.325 -5.336 -1.939 1.00 63.31 C ATOM 877 CE LYS A 56 2.211 -6.243 -2.438 1.00 72.20 C ATOM 878 NZ LYS A 56 2.728 -7.318 -3.330 1.00 55.21 N ATOM 0 H LYS A 56 4.699 -4.214 1.521 1.00 1.41 H new ATOM 0 HA LYS A 56 2.176 -2.962 1.214 1.00 15.35 H new ATOM 0 HB2 LYS A 56 3.375 -5.664 0.606 1.00 1.32 H new ATOM 0 HB3 LYS A 56 1.644 -5.441 0.447 1.00 1.32 H new ATOM 0 HG2 LYS A 56 1.862 -3.898 -1.308 1.00 64.23 H new ATOM 0 HG3 LYS A 56 3.509 -3.480 -0.878 1.00 64.23 H new ATOM 0 HD2 LYS A 56 3.786 -4.826 -2.785 1.00 63.31 H new ATOM 0 HD3 LYS A 56 4.102 -5.938 -1.468 1.00 63.31 H new ATOM 0 HE2 LYS A 56 1.700 -6.692 -1.587 1.00 72.20 H new ATOM 0 HE3 LYS A 56 1.472 -5.649 -2.976 1.00 72.20 H new ATOM 0 HZ1 LYS A 56 1.938 -7.914 -3.649 1.00 55.21 H new ATOM 0 HZ2 LYS A 56 3.194 -6.890 -4.156 1.00 55.21 H new ATOM 0 HZ3 LYS A 56 3.414 -7.901 -2.809 1.00 55.21 H new ATOM 892 N ASP A 57 2.519 -4.785 3.815 1.00 4.23 N ATOM 893 CA ASP A 57 1.868 -5.294 5.016 1.00 35.42 C ATOM 894 C ASP A 57 1.594 -4.167 6.006 1.00 1.43 C ATOM 895 O ASP A 57 0.645 -4.231 6.789 1.00 44.13 O ATOM 896 CB ASP A 57 2.733 -6.370 5.675 1.00 42.40 C ATOM 897 CG ASP A 57 2.450 -7.755 5.130 1.00 71.54 C ATOM 898 OD1 ASP A 57 1.408 -8.337 5.499 1.00 62.31 O ATOM 899 OD2 ASP A 57 3.269 -8.258 4.333 1.00 44.12 O ATOM 0 H ASP A 57 3.537 -4.749 3.871 1.00 4.23 H new ATOM 0 HA ASP A 57 0.915 -5.735 4.723 1.00 35.42 H new ATOM 0 HB2 ASP A 57 3.785 -6.130 5.521 1.00 42.40 H new ATOM 0 HB3 ASP A 57 2.558 -6.364 6.751 1.00 42.40 H new ATOM 904 N ILE A 58 2.432 -3.136 5.967 1.00 14.21 N ATOM 905 CA ILE A 58 2.280 -1.994 6.861 1.00 72.42 C ATOM 906 C ILE A 58 1.530 -0.856 6.177 1.00 62.44 C ATOM 907 O ILE A 58 1.782 -0.544 5.013 1.00 61.04 O ATOM 908 CB ILE A 58 3.646 -1.475 7.348 1.00 55.04 C ATOM 909 CG1 ILE A 58 4.561 -1.190 6.156 1.00 45.44 C ATOM 910 CG2 ILE A 58 4.290 -2.481 8.289 1.00 61.51 C ATOM 911 CD1 ILE A 58 5.843 -0.481 6.535 1.00 63.45 C ATOM 0 H ILE A 58 3.223 -3.068 5.326 1.00 14.21 H new ATOM 0 HA ILE A 58 1.705 -2.340 7.720 1.00 72.42 H new ATOM 0 HB ILE A 58 3.491 -0.544 7.894 1.00 55.04 H new ATOM 0 HG12 ILE A 58 4.807 -2.131 5.664 1.00 45.44 H new ATOM 0 HG13 ILE A 58 4.020 -0.583 5.430 1.00 45.44 H new ATOM 0 HG21 ILE A 58 5.255 -2.100 8.624 1.00 61.51 H new ATOM 0 HG22 ILE A 58 3.642 -2.639 9.151 1.00 61.51 H new ATOM 0 HG23 ILE A 58 4.435 -3.427 7.767 1.00 61.51 H new ATOM 0 HD11 ILE A 58 6.443 -0.311 5.641 1.00 63.45 H new ATOM 0 HD12 ILE A 58 5.606 0.476 7.000 1.00 63.45 H new ATOM 0 HD13 ILE A 58 6.405 -1.096 7.238 1.00 63.45 H new ATOM 923 N PHE A 59 0.609 -0.238 6.908 1.00 75.42 N ATOM 924 CA PHE A 59 -0.178 0.867 6.372 1.00 60.40 C ATOM 925 C PHE A 59 0.045 2.138 7.186 1.00 61.21 C ATOM 926 O PHE A 59 0.526 2.104 8.319 1.00 62.53 O ATOM 927 CB PHE A 59 -1.665 0.506 6.365 1.00 21.05 C ATOM 928 CG PHE A 59 -2.145 -0.034 5.049 1.00 51.34 C ATOM 929 CD1 PHE A 59 -1.728 -1.277 4.601 1.00 42.44 C ATOM 930 CD2 PHE A 59 -3.014 0.702 4.259 1.00 45.24 C ATOM 931 CE1 PHE A 59 -2.168 -1.776 3.389 1.00 31.44 C ATOM 932 CE2 PHE A 59 -3.457 0.207 3.047 1.00 55.51 C ATOM 933 CZ PHE A 59 -3.033 -1.033 2.611 1.00 13.31 C ATOM 0 H PHE A 59 0.389 -0.483 7.873 1.00 75.42 H new ATOM 0 HA PHE A 59 0.149 1.050 5.348 1.00 60.40 H new ATOM 0 HB2 PHE A 59 -1.855 -0.234 7.143 1.00 21.05 H new ATOM 0 HB3 PHE A 59 -2.247 1.392 6.619 1.00 21.05 H new ATOM 0 HD1 PHE A 59 -1.051 -1.863 5.206 1.00 42.44 H new ATOM 0 HD2 PHE A 59 -3.349 1.673 4.594 1.00 45.24 H new ATOM 0 HE1 PHE A 59 -1.835 -2.746 3.051 1.00 31.44 H new ATOM 0 HE2 PHE A 59 -4.135 0.790 2.441 1.00 55.51 H new ATOM 0 HZ PHE A 59 -3.377 -1.420 1.664 1.00 13.31 H new ATOM 943 N PRO A 60 -0.312 3.288 6.596 1.00 51.04 N ATOM 944 CA PRO A 60 -0.161 4.593 7.247 1.00 64.51 C ATOM 945 C PRO A 60 -1.129 4.775 8.411 1.00 41.33 C ATOM 946 O PRO A 60 -2.330 4.544 8.273 1.00 14.33 O ATOM 947 CB PRO A 60 -0.477 5.587 6.127 1.00 2.00 C ATOM 948 CG PRO A 60 -1.354 4.833 5.188 1.00 44.44 C ATOM 949 CD PRO A 60 -0.892 3.404 5.247 1.00 61.41 C ATOM 0 HA PRO A 60 0.831 4.720 7.680 1.00 64.51 H new ATOM 0 HB2 PRO A 60 -0.981 6.473 6.514 1.00 2.00 H new ATOM 0 HB3 PRO A 60 0.432 5.928 5.632 1.00 2.00 H new ATOM 0 HG2 PRO A 60 -2.401 4.917 5.479 1.00 44.44 H new ATOM 0 HG3 PRO A 60 -1.272 5.228 4.175 1.00 44.44 H new ATOM 0 HD2 PRO A 60 -1.719 2.708 5.104 1.00 61.41 H new ATOM 0 HD3 PRO A 60 -0.156 3.188 4.473 1.00 61.41 H new ATOM 957 N TYR A 61 -0.599 5.191 9.555 1.00 2.53 N ATOM 958 CA TYR A 61 -1.416 5.403 10.744 1.00 54.42 C ATOM 959 C TYR A 61 -2.419 6.531 10.521 1.00 11.53 C ATOM 960 O TYR A 61 -3.373 6.688 11.283 1.00 54.22 O ATOM 961 CB TYR A 61 -0.529 5.725 11.948 1.00 74.40 C ATOM 962 CG TYR A 61 -0.401 7.205 12.228 1.00 71.13 C ATOM 963 CD1 TYR A 61 0.368 8.022 11.408 1.00 13.53 C ATOM 964 CD2 TYR A 61 -1.047 7.786 13.312 1.00 74.13 C ATOM 965 CE1 TYR A 61 0.489 9.375 11.660 1.00 14.43 C ATOM 966 CE2 TYR A 61 -0.933 9.138 13.570 1.00 15.04 C ATOM 967 CZ TYR A 61 -0.164 9.929 12.742 1.00 33.52 C ATOM 968 OH TYR A 61 -0.047 11.276 12.997 1.00 31.44 O ATOM 0 H TYR A 61 0.393 5.388 9.685 1.00 2.53 H new ATOM 0 HA TYR A 61 -1.967 4.484 10.943 1.00 54.42 H new ATOM 0 HB2 TYR A 61 -0.935 5.231 12.830 1.00 74.40 H new ATOM 0 HB3 TYR A 61 0.464 5.309 11.779 1.00 74.40 H new ATOM 0 HD1 TYR A 61 0.880 7.592 10.560 1.00 13.53 H new ATOM 0 HD2 TYR A 61 -1.649 7.170 13.964 1.00 74.13 H new ATOM 0 HE1 TYR A 61 1.092 9.996 11.014 1.00 14.43 H new ATOM 0 HE2 TYR A 61 -1.444 9.574 14.416 1.00 15.04 H new ATOM 0 HH TYR A 61 0.088 11.758 12.154 1.00 31.44 H new ATOM 978 N SER A 62 -2.195 7.315 9.471 1.00 72.31 N ATOM 979 CA SER A 62 -3.076 8.431 9.148 1.00 32.11 C ATOM 980 C SER A 62 -4.451 7.930 8.716 1.00 12.41 C ATOM 981 O SER A 62 -5.428 8.679 8.730 1.00 63.15 O ATOM 982 CB SER A 62 -2.462 9.289 8.040 1.00 11.14 C ATOM 983 OG SER A 62 -2.973 10.610 8.077 1.00 43.54 O ATOM 0 H SER A 62 -1.411 7.198 8.830 1.00 72.31 H new ATOM 0 HA SER A 62 -3.195 9.039 10.045 1.00 32.11 H new ATOM 0 HB2 SER A 62 -1.378 9.312 8.152 1.00 11.14 H new ATOM 0 HB3 SER A 62 -2.673 8.841 7.069 1.00 11.14 H new ATOM 0 HG SER A 62 -2.564 11.139 7.360 1.00 43.54 H new ATOM 989 N GLU A 63 -4.518 6.659 8.333 1.00 2.13 N ATOM 990 CA GLU A 63 -5.773 6.058 7.896 1.00 4.43 C ATOM 991 C GLU A 63 -6.429 5.282 9.034 1.00 72.41 C ATOM 992 O GLU A 63 -7.654 5.233 9.141 1.00 42.14 O ATOM 993 CB GLU A 63 -5.532 5.131 6.703 1.00 4.03 C ATOM 994 CG GLU A 63 -6.676 5.115 5.704 1.00 42.33 C ATOM 995 CD GLU A 63 -6.666 6.323 4.787 1.00 51.11 C ATOM 996 OE1 GLU A 63 -5.591 6.640 4.236 1.00 1.42 O ATOM 997 OE2 GLU A 63 -7.733 6.951 4.620 1.00 25.22 O ATOM 0 H GLU A 63 -3.719 6.026 8.316 1.00 2.13 H new ATOM 0 HA GLU A 63 -6.445 6.861 7.592 1.00 4.43 H new ATOM 0 HB2 GLU A 63 -4.619 5.439 6.193 1.00 4.03 H new ATOM 0 HB3 GLU A 63 -5.366 4.118 7.069 1.00 4.03 H new ATOM 0 HG2 GLU A 63 -6.617 4.207 5.104 1.00 42.33 H new ATOM 0 HG3 GLU A 63 -7.623 5.080 6.242 1.00 42.33 H new ATOM 1004 N ASN A 64 -5.605 4.675 9.881 1.00 25.42 N ATOM 1005 CA ASN A 64 -6.104 3.899 11.011 1.00 71.35 C ATOM 1006 C ASN A 64 -6.507 4.813 12.163 1.00 14.31 C ATOM 1007 O ASN A 64 -7.518 4.585 12.827 1.00 35.15 O ATOM 1008 CB ASN A 64 -5.042 2.903 11.482 1.00 0.41 C ATOM 1009 CG ASN A 64 -4.639 1.929 10.392 1.00 24.15 C ATOM 1010 OD1 ASN A 64 -3.975 2.302 9.425 1.00 1.10 O ATOM 1011 ND2 ASN A 64 -5.039 0.672 10.545 1.00 11.01 N ATOM 0 H ASN A 64 -4.588 4.705 9.807 1.00 25.42 H new ATOM 0 HA ASN A 64 -6.986 3.350 10.681 1.00 71.35 H new ATOM 0 HB2 ASN A 64 -4.162 3.448 11.822 1.00 0.41 H new ATOM 0 HB3 ASN A 64 -5.423 2.348 12.339 1.00 0.41 H new ATOM 0 HD21 ASN A 64 -4.797 -0.029 9.845 1.00 11.01 H new ATOM 0 HD22 ASN A 64 -5.588 0.407 11.363 1.00 11.01 H new ATOM 1018 N LYS A 65 -5.710 5.851 12.395 1.00 70.33 N ATOM 1019 CA LYS A 65 -5.983 6.802 13.465 1.00 12.31 C ATOM 1020 C LYS A 65 -7.373 7.412 13.310 1.00 62.31 C ATOM 1021 O LYS A 65 -7.978 7.854 14.285 1.00 11.44 O ATOM 1022 CB LYS A 65 -4.927 7.910 13.473 1.00 61.33 C ATOM 1023 CG LYS A 65 -5.120 8.942 12.376 1.00 51.15 C ATOM 1024 CD LYS A 65 -3.970 9.935 12.335 1.00 73.40 C ATOM 1025 CE LYS A 65 -3.821 10.669 13.658 1.00 11.24 C ATOM 1026 NZ LYS A 65 -2.789 11.740 13.585 1.00 21.01 N ATOM 0 H LYS A 65 -4.869 6.055 11.855 1.00 70.33 H new ATOM 0 HA LYS A 65 -5.945 6.265 14.413 1.00 12.31 H new ATOM 0 HB2 LYS A 65 -4.947 8.412 14.440 1.00 61.33 H new ATOM 0 HB3 LYS A 65 -3.940 7.460 13.368 1.00 61.33 H new ATOM 0 HG2 LYS A 65 -5.202 8.439 11.412 1.00 51.15 H new ATOM 0 HG3 LYS A 65 -6.057 9.475 12.538 1.00 51.15 H new ATOM 0 HD2 LYS A 65 -3.043 9.411 12.102 1.00 73.40 H new ATOM 0 HD3 LYS A 65 -4.138 10.656 11.535 1.00 73.40 H new ATOM 0 HE2 LYS A 65 -4.779 11.106 13.941 1.00 11.24 H new ATOM 0 HE3 LYS A 65 -3.552 9.958 14.439 1.00 11.24 H new ATOM 0 HZ1 LYS A 65 -2.753 12.250 14.491 1.00 21.01 H new ATOM 0 HZ2 LYS A 65 -1.860 11.314 13.390 1.00 21.01 H new ATOM 0 HZ3 LYS A 65 -3.032 12.405 12.823 1.00 21.01 H new ATOM 1040 N GLU A 66 -7.872 7.429 12.078 1.00 52.41 N ATOM 1041 CA GLU A 66 -9.191 7.984 11.797 1.00 51.20 C ATOM 1042 C GLU A 66 -10.277 6.928 11.983 1.00 64.22 C ATOM 1043 O GLU A 66 -11.456 7.251 12.126 1.00 1.02 O ATOM 1044 CB GLU A 66 -9.243 8.539 10.372 1.00 65.22 C ATOM 1045 CG GLU A 66 -10.464 9.399 10.097 1.00 14.23 C ATOM 1046 CD GLU A 66 -10.353 10.172 8.797 1.00 15.14 C ATOM 1047 OE1 GLU A 66 -9.316 10.042 8.116 1.00 64.34 O ATOM 1048 OE2 GLU A 66 -11.306 10.907 8.462 1.00 3.51 O ATOM 0 H GLU A 66 -7.384 7.065 11.260 1.00 52.41 H new ATOM 0 HA GLU A 66 -9.373 8.795 12.502 1.00 51.20 H new ATOM 0 HB2 GLU A 66 -8.345 9.129 10.188 1.00 65.22 H new ATOM 0 HB3 GLU A 66 -9.228 7.708 9.667 1.00 65.22 H new ATOM 0 HG2 GLU A 66 -11.350 8.765 10.064 1.00 14.23 H new ATOM 0 HG3 GLU A 66 -10.604 10.099 10.921 1.00 14.23 H new ATOM 1055 N LYS A 67 -9.870 5.663 11.979 1.00 63.15 N ATOM 1056 CA LYS A 67 -10.805 4.557 12.147 1.00 11.21 C ATOM 1057 C LYS A 67 -11.257 4.444 13.599 1.00 35.24 C ATOM 1058 O LYS A 67 -12.440 4.596 13.905 1.00 54.51 O ATOM 1059 CB LYS A 67 -10.160 3.244 11.699 1.00 74.24 C ATOM 1060 CG LYS A 67 -9.976 3.139 10.195 1.00 53.15 C ATOM 1061 CD LYS A 67 -11.250 2.677 9.508 1.00 74.43 C ATOM 1062 CE LYS A 67 -11.317 1.160 9.419 1.00 22.43 C ATOM 1063 NZ LYS A 67 -12.700 0.680 9.148 1.00 32.23 N ATOM 0 H LYS A 67 -8.898 5.378 11.861 1.00 63.15 H new ATOM 0 HA LYS A 67 -11.679 4.755 11.527 1.00 11.21 H new ATOM 0 HB2 LYS A 67 -9.189 3.142 12.183 1.00 74.24 H new ATOM 0 HB3 LYS A 67 -10.775 2.412 12.040 1.00 74.24 H new ATOM 0 HG2 LYS A 67 -9.677 4.108 9.796 1.00 53.15 H new ATOM 0 HG3 LYS A 67 -9.169 2.441 9.974 1.00 53.15 H new ATOM 0 HD2 LYS A 67 -12.116 3.049 10.056 1.00 74.43 H new ATOM 0 HD3 LYS A 67 -11.300 3.104 8.506 1.00 74.43 H new ATOM 0 HE2 LYS A 67 -10.651 0.813 8.629 1.00 22.43 H new ATOM 0 HE3 LYS A 67 -10.958 0.725 10.352 1.00 22.43 H new ATOM 0 HZ1 LYS A 67 -12.703 -0.359 9.095 1.00 32.23 H new ATOM 0 HZ2 LYS A 67 -13.331 0.989 9.915 1.00 32.23 H new ATOM 0 HZ3 LYS A 67 -13.033 1.074 8.245 1.00 32.23 H new ATOM 1077 N TYR A 68 -10.309 4.177 14.490 1.00 32.33 N ATOM 1078 CA TYR A 68 -10.611 4.042 15.910 1.00 3.25 C ATOM 1079 C TYR A 68 -9.626 4.845 16.755 1.00 11.10 C ATOM 1080 O TYR A 68 -9.935 5.246 17.877 1.00 61.45 O ATOM 1081 CB TYR A 68 -10.572 2.570 16.324 1.00 15.12 C ATOM 1082 CG TYR A 68 -10.785 1.612 15.174 1.00 40.11 C ATOM 1083 CD1 TYR A 68 -12.062 1.195 14.818 1.00 45.23 C ATOM 1084 CD2 TYR A 68 -9.709 1.125 14.442 1.00 22.44 C ATOM 1085 CE1 TYR A 68 -12.260 0.319 13.768 1.00 50.50 C ATOM 1086 CE2 TYR A 68 -9.898 0.250 13.390 1.00 20.31 C ATOM 1087 CZ TYR A 68 -11.175 -0.150 13.057 1.00 33.21 C ATOM 1088 OH TYR A 68 -11.369 -1.022 12.010 1.00 50.42 O ATOM 0 H TYR A 68 -9.325 4.050 14.254 1.00 32.33 H new ATOM 0 HA TYR A 68 -11.614 4.434 16.081 1.00 3.25 H new ATOM 0 HB2 TYR A 68 -9.610 2.358 16.789 1.00 15.12 H new ATOM 0 HB3 TYR A 68 -11.337 2.393 17.080 1.00 15.12 H new ATOM 0 HD1 TYR A 68 -12.914 1.562 15.371 1.00 45.23 H new ATOM 0 HD2 TYR A 68 -8.707 1.436 14.700 1.00 22.44 H new ATOM 0 HE1 TYR A 68 -13.259 0.003 13.505 1.00 50.50 H new ATOM 0 HE2 TYR A 68 -9.050 -0.119 12.831 1.00 20.31 H new ATOM 0 HH TYR A 68 -10.503 -1.255 11.614 1.00 50.42 H new ATOM 1098 N GLY A 69 -8.437 5.077 16.206 1.00 54.30 N ATOM 1099 CA GLY A 69 -7.425 5.832 16.921 1.00 63.40 C ATOM 1100 C GLY A 69 -6.776 5.026 18.029 1.00 64.33 C ATOM 1101 O GLY A 69 -5.721 5.399 18.543 1.00 14.53 O ATOM 0 H GLY A 69 -8.157 4.756 15.279 1.00 54.30 H new ATOM 0 HA2 GLY A 69 -6.659 6.162 16.219 1.00 63.40 H new ATOM 0 HA3 GLY A 69 -7.877 6.729 17.345 1.00 63.40 H new ATOM 1105 N LYS A 70 -7.407 3.917 18.399 1.00 64.51 N ATOM 1106 CA LYS A 70 -6.885 3.055 19.453 1.00 34.31 C ATOM 1107 C LYS A 70 -7.289 1.603 19.218 1.00 64.51 C ATOM 1108 O LYS A 70 -8.226 1.306 18.477 1.00 33.33 O ATOM 1109 CB LYS A 70 -7.393 3.521 20.819 1.00 13.23 C ATOM 1110 CG LYS A 70 -8.618 2.765 21.304 1.00 71.34 C ATOM 1111 CD LYS A 70 -9.285 3.472 22.472 1.00 65.12 C ATOM 1112 CE LYS A 70 -10.132 4.645 22.003 1.00 34.52 C ATOM 1113 NZ LYS A 70 -10.859 5.289 23.132 1.00 53.33 N ATOM 0 H LYS A 70 -8.281 3.594 17.984 1.00 64.51 H new ATOM 0 HA LYS A 70 -5.797 3.119 19.435 1.00 34.31 H new ATOM 0 HB2 LYS A 70 -6.594 3.409 21.552 1.00 13.23 H new ATOM 0 HB3 LYS A 70 -7.630 4.584 20.766 1.00 13.23 H new ATOM 0 HG2 LYS A 70 -9.330 2.662 20.485 1.00 71.34 H new ATOM 0 HG3 LYS A 70 -8.329 1.758 21.604 1.00 71.34 H new ATOM 0 HD2 LYS A 70 -9.910 2.765 23.017 1.00 65.12 H new ATOM 0 HD3 LYS A 70 -8.524 3.826 23.167 1.00 65.12 H new ATOM 0 HE2 LYS A 70 -9.494 5.381 21.514 1.00 34.52 H new ATOM 0 HE3 LYS A 70 -10.849 4.300 21.258 1.00 34.52 H new ATOM 0 HZ1 LYS A 70 -11.425 6.084 22.772 1.00 53.33 H new ATOM 0 HZ2 LYS A 70 -11.487 4.593 23.583 1.00 53.33 H new ATOM 0 HZ3 LYS A 70 -10.174 5.641 23.831 1.00 53.33 H new ATOM 1127 N PRO A 71 -6.566 0.675 19.863 1.00 21.10 N ATOM 1128 CA PRO A 71 -6.832 -0.762 19.741 1.00 3.40 C ATOM 1129 C PRO A 71 -8.137 -1.169 20.415 1.00 14.11 C ATOM 1130 O PRO A 71 -8.513 -0.614 21.447 1.00 73.32 O ATOM 1131 CB PRO A 71 -5.639 -1.405 20.453 1.00 10.31 C ATOM 1132 CG PRO A 71 -5.171 -0.370 21.418 1.00 71.42 C ATOM 1133 CD PRO A 71 -5.434 0.957 20.762 1.00 71.22 C ATOM 0 HA PRO A 71 -6.942 -1.069 18.701 1.00 3.40 H new ATOM 0 HB2 PRO A 71 -5.931 -2.321 20.966 1.00 10.31 H new ATOM 0 HB3 PRO A 71 -4.853 -1.672 19.746 1.00 10.31 H new ATOM 0 HG2 PRO A 71 -5.705 -0.450 22.365 1.00 71.42 H new ATOM 0 HG3 PRO A 71 -4.111 -0.493 21.638 1.00 71.42 H new ATOM 0 HD2 PRO A 71 -5.684 1.725 21.494 1.00 71.22 H new ATOM 0 HD3 PRO A 71 -4.563 1.313 20.212 1.00 71.22 H new ATOM 1141 N ASN A 72 -8.824 -2.142 19.825 1.00 54.42 N ATOM 1142 CA ASN A 72 -10.089 -2.623 20.369 1.00 21.00 C ATOM 1143 C ASN A 72 -9.878 -3.883 21.203 1.00 3.12 C ATOM 1144 O ASN A 72 -10.223 -3.924 22.384 1.00 23.33 O ATOM 1145 CB ASN A 72 -11.080 -2.907 19.238 1.00 3.22 C ATOM 1146 CG ASN A 72 -12.498 -3.087 19.744 1.00 60.42 C ATOM 1147 OD1 ASN A 72 -12.773 -3.975 20.551 1.00 23.31 O ATOM 1148 ND2 ASN A 72 -13.407 -2.243 19.269 1.00 20.54 N ATOM 0 H ASN A 72 -8.526 -2.613 18.971 1.00 54.42 H new ATOM 0 HA ASN A 72 -10.497 -1.845 21.014 1.00 21.00 H new ATOM 0 HB2 ASN A 72 -11.054 -2.086 18.521 1.00 3.22 H new ATOM 0 HB3 ASN A 72 -10.771 -3.806 18.705 1.00 3.22 H new ATOM 0 HD21 ASN A 72 -14.378 -2.316 19.572 1.00 20.54 H new ATOM 0 HD22 ASN A 72 -13.134 -1.522 18.601 1.00 20.54 H new ATOM 1155 N LYS A 73 -9.308 -4.909 20.581 1.00 63.12 N ATOM 1156 CA LYS A 73 -9.048 -6.171 21.264 1.00 3.54 C ATOM 1157 C LYS A 73 -7.556 -6.491 21.266 1.00 75.21 C ATOM 1158 O LYS A 73 -7.163 -7.657 21.223 1.00 43.24 O ATOM 1159 CB LYS A 73 -9.824 -7.307 20.595 1.00 41.34 C ATOM 1160 CG LYS A 73 -11.302 -7.322 20.943 1.00 12.51 C ATOM 1161 CD LYS A 73 -11.943 -8.655 20.597 1.00 32.25 C ATOM 1162 CE LYS A 73 -12.221 -8.770 19.107 1.00 61.45 C ATOM 1163 NZ LYS A 73 -12.376 -10.188 18.679 1.00 31.42 N ATOM 0 H LYS A 73 -9.017 -4.891 19.604 1.00 63.12 H new ATOM 0 HA LYS A 73 -9.382 -6.072 22.297 1.00 3.54 H new ATOM 0 HB2 LYS A 73 -9.715 -7.223 19.514 1.00 41.34 H new ATOM 0 HB3 LYS A 73 -9.381 -8.259 20.887 1.00 41.34 H new ATOM 0 HG2 LYS A 73 -11.428 -7.122 22.007 1.00 12.51 H new ATOM 0 HG3 LYS A 73 -11.811 -6.522 20.406 1.00 12.51 H new ATOM 0 HD2 LYS A 73 -11.287 -9.467 20.909 1.00 32.25 H new ATOM 0 HD3 LYS A 73 -12.875 -8.767 21.152 1.00 32.25 H new ATOM 0 HE2 LYS A 73 -13.127 -8.216 18.863 1.00 61.45 H new ATOM 0 HE3 LYS A 73 -11.406 -8.309 18.549 1.00 61.45 H new ATOM 0 HZ1 LYS A 73 -12.564 -10.223 17.657 1.00 31.42 H new ATOM 0 HZ2 LYS A 73 -11.502 -10.711 18.888 1.00 31.42 H new ATOM 0 HZ3 LYS A 73 -13.170 -10.621 19.193 1.00 31.42 H new ATOM 1177 N ARG A 74 -6.732 -5.450 21.317 1.00 20.14 N ATOM 1178 CA ARG A 74 -5.284 -5.622 21.325 1.00 52.20 C ATOM 1179 C ARG A 74 -4.682 -5.101 22.627 1.00 61.42 C ATOM 1180 O ARG A 74 -4.773 -3.913 22.934 1.00 4.34 O ATOM 1181 CB ARG A 74 -4.657 -4.895 20.134 1.00 1.00 C ATOM 1182 CG ARG A 74 -4.929 -5.567 18.798 1.00 32.02 C ATOM 1183 CD ARG A 74 -4.364 -6.978 18.759 1.00 34.43 C ATOM 1184 NE ARG A 74 -5.411 -7.990 18.878 1.00 61.13 N ATOM 1185 CZ ARG A 74 -5.166 -9.281 19.071 1.00 33.35 C ATOM 1186 NH1 ARG A 74 -3.917 -9.716 19.169 1.00 53.54 N ATOM 1187 NH2 ARG A 74 -6.172 -10.141 19.169 1.00 32.10 N ATOM 0 H ARG A 74 -7.042 -4.479 21.353 1.00 20.14 H new ATOM 0 HA ARG A 74 -5.069 -6.688 21.246 1.00 52.20 H new ATOM 0 HB2 ARG A 74 -5.037 -3.874 20.101 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.580 -4.829 20.285 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -6.004 -5.599 18.618 1.00 32.02 H new ATOM 0 HG3 ARG A 74 -4.489 -4.975 17.995 1.00 32.02 H new ATOM 0 HD2 ARG A 74 -3.821 -7.126 17.825 1.00 34.43 H new ATOM 0 HD3 ARG A 74 -3.645 -7.103 19.569 1.00 34.43 H new ATOM 0 HE ARG A 74 -6.383 -7.689 18.809 1.00 61.13 H new ATOM 0 HH11 ARG A 74 -3.141 -9.058 19.096 1.00 53.54 H new ATOM 0 HH12 ARG A 74 -3.733 -10.708 19.317 1.00 53.54 H new ATOM 0 HH21 ARG A 74 -7.134 -9.811 19.096 1.00 32.10 H new ATOM 0 HH22 ARG A 74 -5.983 -11.132 19.317 1.00 32.10 H new ATOM 1201 N LYS A 75 -4.067 -6.000 23.389 1.00 50.33 N ATOM 1202 CA LYS A 75 -3.449 -5.633 24.657 1.00 4.02 C ATOM 1203 C LYS A 75 -2.495 -4.456 24.478 1.00 55.34 C ATOM 1204 O LYS A 75 -1.856 -4.315 23.436 1.00 74.31 O ATOM 1205 CB LYS A 75 -2.695 -6.828 25.245 1.00 22.10 C ATOM 1206 CG LYS A 75 -3.591 -7.812 25.977 1.00 61.33 C ATOM 1207 CD LYS A 75 -3.766 -7.428 27.436 1.00 33.23 C ATOM 1208 CE LYS A 75 -4.921 -6.456 27.622 1.00 50.32 C ATOM 1209 NZ LYS A 75 -5.422 -6.451 29.024 1.00 11.31 N ATOM 0 H LYS A 75 -3.984 -6.988 23.150 1.00 50.33 H new ATOM 0 HA LYS A 75 -4.240 -5.335 25.345 1.00 4.02 H new ATOM 0 HB2 LYS A 75 -2.176 -7.350 24.441 1.00 22.10 H new ATOM 0 HB3 LYS A 75 -1.932 -6.463 25.933 1.00 22.10 H new ATOM 0 HG2 LYS A 75 -4.566 -7.849 25.490 1.00 61.33 H new ATOM 0 HG3 LYS A 75 -3.164 -8.813 25.912 1.00 61.33 H new ATOM 0 HD2 LYS A 75 -3.944 -8.324 28.030 1.00 33.23 H new ATOM 0 HD3 LYS A 75 -2.846 -6.977 27.807 1.00 33.23 H new ATOM 0 HE2 LYS A 75 -4.598 -5.452 27.348 1.00 50.32 H new ATOM 0 HE3 LYS A 75 -5.734 -6.724 26.947 1.00 50.32 H new ATOM 0 HZ1 LYS A 75 -6.209 -5.776 29.109 1.00 11.31 H new ATOM 0 HZ2 LYS A 75 -5.754 -7.403 29.277 1.00 11.31 H new ATOM 0 HZ3 LYS A 75 -4.654 -6.170 29.666 1.00 11.31 H new ATOM 1223 N GLY A 76 -2.404 -3.612 25.501 1.00 32.25 N ATOM 1224 CA GLY A 76 -1.526 -2.459 25.436 1.00 4.04 C ATOM 1225 C GLY A 76 -2.272 -1.178 25.120 1.00 34.33 C ATOM 1226 O GLY A 76 -1.660 -0.136 24.887 1.00 55.23 O ATOM 0 H GLY A 76 -2.923 -3.706 26.374 1.00 32.25 H new ATOM 0 HA2 GLY A 76 -1.007 -2.348 26.388 1.00 4.04 H new ATOM 0 HA3 GLY A 76 -0.764 -2.629 24.675 1.00 4.04 H new ATOM 1230 N PHE A 77 -3.599 -1.256 25.111 1.00 40.40 N ATOM 1231 CA PHE A 77 -4.430 -0.094 24.818 1.00 15.02 C ATOM 1232 C PHE A 77 -4.132 1.047 25.787 1.00 62.42 C ATOM 1233 O PHE A 77 -3.988 0.832 26.990 1.00 71.04 O ATOM 1234 CB PHE A 77 -5.912 -0.468 24.895 1.00 71.41 C ATOM 1235 CG PHE A 77 -6.344 -0.929 26.258 1.00 72.45 C ATOM 1236 CD1 PHE A 77 -6.743 -0.015 27.219 1.00 51.33 C ATOM 1237 CD2 PHE A 77 -6.351 -2.278 26.577 1.00 2.44 C ATOM 1238 CE1 PHE A 77 -7.142 -0.436 28.473 1.00 3.45 C ATOM 1239 CE2 PHE A 77 -6.749 -2.704 27.830 1.00 23.42 C ATOM 1240 CZ PHE A 77 -7.143 -1.782 28.780 1.00 74.22 C ATOM 0 H PHE A 77 -4.121 -2.111 25.303 1.00 40.40 H new ATOM 0 HA PHE A 77 -4.198 0.241 23.807 1.00 15.02 H new ATOM 0 HB2 PHE A 77 -6.512 0.395 24.605 1.00 71.41 H new ATOM 0 HB3 PHE A 77 -6.118 -1.257 24.171 1.00 71.41 H new ATOM 0 HD1 PHE A 77 -6.742 1.039 26.985 1.00 51.33 H new ATOM 0 HD2 PHE A 77 -6.042 -3.003 25.839 1.00 2.44 H new ATOM 0 HE1 PHE A 77 -7.453 0.287 29.212 1.00 3.45 H new ATOM 0 HE2 PHE A 77 -6.752 -3.758 28.066 1.00 23.42 H new ATOM 0 HZ PHE A 77 -7.451 -2.113 29.761 1.00 74.22 H new ATOM 1250 N ASN A 78 -4.039 2.260 25.252 1.00 34.02 N ATOM 1251 CA ASN A 78 -3.757 3.435 26.068 1.00 4.23 C ATOM 1252 C ASN A 78 -2.421 3.287 26.792 1.00 75.25 C ATOM 1253 O ASN A 78 -2.183 3.932 27.812 1.00 64.13 O ATOM 1254 CB ASN A 78 -4.878 3.658 27.085 1.00 71.31 C ATOM 1255 CG ASN A 78 -5.977 4.553 26.547 1.00 52.25 C ATOM 1256 OD1 ASN A 78 -7.145 4.166 26.506 1.00 30.42 O ATOM 1257 ND2 ASN A 78 -5.607 5.758 26.129 1.00 10.32 N ATOM 0 H ASN A 78 -4.155 2.455 24.257 1.00 34.02 H new ATOM 0 HA ASN A 78 -3.699 4.299 25.407 1.00 4.23 H new ATOM 0 HB2 ASN A 78 -5.304 2.696 27.369 1.00 71.31 H new ATOM 0 HB3 ASN A 78 -4.462 4.102 27.989 1.00 71.31 H new ATOM 0 HD21 ASN A 78 -6.302 6.404 25.756 1.00 10.32 H new ATOM 0 HD22 ASN A 78 -4.627 6.037 26.181 1.00 10.32 H new ATOM 1264 N GLU A 79 -1.555 2.433 26.255 1.00 75.22 N ATOM 1265 CA GLU A 79 -0.245 2.200 26.850 1.00 43.03 C ATOM 1266 C GLU A 79 0.863 2.757 25.960 1.00 21.11 C ATOM 1267 O GLU A 79 1.806 2.049 25.608 1.00 51.32 O ATOM 1268 CB GLU A 79 -0.024 0.704 27.082 1.00 62.11 C ATOM 1269 CG GLU A 79 0.812 0.396 28.313 1.00 64.14 C ATOM 1270 CD GLU A 79 1.951 1.378 28.505 1.00 42.50 C ATOM 1271 OE1 GLU A 79 3.038 1.148 27.934 1.00 35.32 O ATOM 1272 OE2 GLU A 79 1.755 2.379 29.227 1.00 62.23 O ATOM 0 H GLU A 79 -1.737 1.892 25.410 1.00 75.22 H new ATOM 0 HA GLU A 79 -0.213 2.717 27.809 1.00 43.03 H new ATOM 0 HB2 GLU A 79 -0.992 0.213 27.179 1.00 62.11 H new ATOM 0 HB3 GLU A 79 0.464 0.277 26.206 1.00 62.11 H new ATOM 0 HG2 GLU A 79 0.172 0.411 29.195 1.00 64.14 H new ATOM 0 HG3 GLU A 79 1.217 -0.613 28.230 1.00 64.14 H new ATOM 1279 N GLY A 80 0.741 4.031 25.600 1.00 71.01 N ATOM 1280 CA GLY A 80 1.737 4.662 24.754 1.00 24.32 C ATOM 1281 C GLY A 80 1.175 5.082 23.411 1.00 43.23 C ATOM 1282 O GLY A 80 1.916 5.519 22.529 1.00 71.04 O ATOM 0 H GLY A 80 -0.030 4.637 25.879 1.00 71.01 H new ATOM 0 HA2 GLY A 80 2.142 5.536 25.264 1.00 24.32 H new ATOM 0 HA3 GLY A 80 2.566 3.972 24.598 1.00 24.32 H new ATOM 1286 N LEU A 81 -0.137 4.950 23.253 1.00 61.54 N ATOM 1287 CA LEU A 81 -0.798 5.318 22.006 1.00 74.35 C ATOM 1288 C LEU A 81 -0.690 6.818 21.754 1.00 13.32 C ATOM 1289 O LEU A 81 -0.629 7.263 20.608 1.00 65.42 O ATOM 1290 CB LEU A 81 -2.269 4.900 22.043 1.00 75.01 C ATOM 1291 CG LEU A 81 -3.128 5.361 20.865 1.00 54.30 C ATOM 1292 CD1 LEU A 81 -3.263 4.251 19.835 1.00 64.41 C ATOM 1293 CD2 LEU A 81 -4.499 5.811 21.349 1.00 53.45 C ATOM 0 H LEU A 81 -0.764 4.591 23.973 1.00 61.54 H new ATOM 0 HA LEU A 81 -0.298 4.795 21.191 1.00 74.35 H new ATOM 0 HB2 LEU A 81 -2.316 3.812 22.097 1.00 75.01 H new ATOM 0 HB3 LEU A 81 -2.712 5.284 22.962 1.00 75.01 H new ATOM 0 HG LEU A 81 -2.635 6.210 20.391 1.00 54.30 H new ATOM 0 HD11 LEU A 81 -3.878 4.598 19.004 1.00 64.41 H new ATOM 0 HD12 LEU A 81 -2.275 3.976 19.465 1.00 64.41 H new ATOM 0 HD13 LEU A 81 -3.733 3.382 20.296 1.00 64.41 H new ATOM 0 HD21 LEU A 81 -5.097 6.136 20.497 1.00 53.45 H new ATOM 0 HD22 LEU A 81 -4.999 4.981 21.848 1.00 53.45 H new ATOM 0 HD23 LEU A 81 -4.384 6.639 22.049 1.00 53.45 H new ATOM 1305 N TRP A 82 -0.666 7.593 22.833 1.00 70.04 N ATOM 1306 CA TRP A 82 -0.563 9.044 22.729 1.00 41.23 C ATOM 1307 C TRP A 82 0.868 9.467 22.413 1.00 14.01 C ATOM 1308 O TRP A 82 1.117 10.613 22.039 1.00 33.52 O ATOM 1309 CB TRP A 82 -1.028 9.703 24.028 1.00 3.34 C ATOM 1310 CG TRP A 82 -0.725 11.170 24.092 1.00 23.20 C ATOM 1311 CD1 TRP A 82 -1.527 12.191 23.671 1.00 50.53 C ATOM 1312 CD2 TRP A 82 0.466 11.777 24.605 1.00 13.45 C ATOM 1313 NE1 TRP A 82 -0.907 13.398 23.891 1.00 30.33 N ATOM 1314 CE2 TRP A 82 0.316 13.171 24.465 1.00 61.04 C ATOM 1315 CE3 TRP A 82 1.642 11.280 25.172 1.00 3.33 C ATOM 1316 CZ2 TRP A 82 1.300 14.070 24.869 1.00 32.51 C ATOM 1317 CZ3 TRP A 82 2.618 12.173 25.573 1.00 53.31 C ATOM 1318 CH2 TRP A 82 2.442 13.555 25.421 1.00 54.13 C ATOM 0 H TRP A 82 -0.716 7.241 23.789 1.00 70.04 H new ATOM 0 HA TRP A 82 -1.207 9.372 21.913 1.00 41.23 H new ATOM 0 HB2 TRP A 82 -2.103 9.556 24.137 1.00 3.34 H new ATOM 0 HB3 TRP A 82 -0.551 9.204 24.871 1.00 3.34 H new ATOM 0 HD1 TRP A 82 -2.505 12.069 23.230 1.00 50.53 H new ATOM 0 HE1 TRP A 82 -1.295 14.314 23.664 1.00 30.33 H new ATOM 0 HE3 TRP A 82 1.786 10.217 25.295 1.00 3.33 H new ATOM 0 HZ2 TRP A 82 1.167 15.135 24.751 1.00 32.51 H new ATOM 0 HZ3 TRP A 82 3.532 11.799 26.011 1.00 53.31 H new ATOM 0 HH2 TRP A 82 3.223 14.227 25.746 1.00 54.13 H new ATOM 1329 N GLU A 83 1.803 8.535 22.566 1.00 42.02 N ATOM 1330 CA GLU A 83 3.209 8.814 22.297 1.00 60.41 C ATOM 1331 C GLU A 83 3.506 8.722 20.803 1.00 72.21 C ATOM 1332 O GLU A 83 4.447 9.342 20.307 1.00 13.51 O ATOM 1333 CB GLU A 83 4.102 7.838 23.066 1.00 34.43 C ATOM 1334 CG GLU A 83 4.103 8.069 24.568 1.00 20.51 C ATOM 1335 CD GLU A 83 4.565 6.851 25.345 1.00 34.11 C ATOM 1336 OE1 GLU A 83 5.052 5.892 24.711 1.00 34.55 O ATOM 1337 OE2 GLU A 83 4.439 6.858 26.588 1.00 54.13 O ATOM 0 H GLU A 83 1.613 7.581 22.874 1.00 42.02 H new ATOM 0 HA GLU A 83 3.421 9.830 22.631 1.00 60.41 H new ATOM 0 HB2 GLU A 83 3.771 6.819 22.864 1.00 34.43 H new ATOM 0 HB3 GLU A 83 5.123 7.922 22.693 1.00 34.43 H new ATOM 0 HG2 GLU A 83 4.753 8.912 24.802 1.00 20.51 H new ATOM 0 HG3 GLU A 83 3.098 8.342 24.891 1.00 20.51 H new ATOM 1344 N ILE A 84 2.697 7.943 20.092 1.00 42.10 N ATOM 1345 CA ILE A 84 2.872 7.770 18.655 1.00 4.23 C ATOM 1346 C ILE A 84 2.674 9.088 17.915 1.00 52.33 C ATOM 1347 O ILE A 84 3.156 9.262 16.795 1.00 34.11 O ATOM 1348 CB ILE A 84 1.893 6.724 18.091 1.00 40.45 C ATOM 1349 CG1 ILE A 84 2.377 6.224 16.728 1.00 21.21 C ATOM 1350 CG2 ILE A 84 0.495 7.314 17.978 1.00 2.21 C ATOM 1351 CD1 ILE A 84 1.480 5.170 16.118 1.00 54.12 C ATOM 0 H ILE A 84 1.914 7.422 20.488 1.00 42.10 H new ATOM 0 HA ILE A 84 3.893 7.420 18.501 1.00 4.23 H new ATOM 0 HB ILE A 84 1.855 5.877 18.776 1.00 40.45 H new ATOM 0 HG12 ILE A 84 2.448 7.070 16.044 1.00 21.21 H new ATOM 0 HG13 ILE A 84 3.382 5.816 16.836 1.00 21.21 H new ATOM 0 HG21 ILE A 84 -0.186 6.563 17.578 1.00 2.21 H new ATOM 0 HG22 ILE A 84 0.151 7.627 18.964 1.00 2.21 H new ATOM 0 HG23 ILE A 84 0.517 8.176 17.311 1.00 2.21 H new ATOM 0 HD11 ILE A 84 1.884 4.862 15.154 1.00 54.12 H new ATOM 0 HD12 ILE A 84 1.429 4.307 16.782 1.00 54.12 H new ATOM 0 HD13 ILE A 84 0.480 5.580 15.978 1.00 54.12 H new ATOM 1363 N ASP A 85 1.963 10.015 18.548 1.00 71.12 N ATOM 1364 CA ASP A 85 1.703 11.320 17.951 1.00 73.44 C ATOM 1365 C ASP A 85 2.375 12.429 18.754 1.00 71.32 C ATOM 1366 O ASP A 85 2.178 13.612 18.481 1.00 1.14 O ATOM 1367 CB ASP A 85 0.197 11.575 17.866 1.00 30.55 C ATOM 1368 CG ASP A 85 -0.164 12.552 16.765 1.00 31.30 C ATOM 1369 OD1 ASP A 85 0.760 13.063 16.099 1.00 42.42 O ATOM 1370 OD2 ASP A 85 -1.371 12.804 16.569 1.00 51.04 O ATOM 0 H ASP A 85 1.556 9.887 19.475 1.00 71.12 H new ATOM 0 HA ASP A 85 2.121 11.321 16.944 1.00 73.44 H new ATOM 0 HB2 ASP A 85 -0.319 10.631 17.693 1.00 30.55 H new ATOM 0 HB3 ASP A 85 -0.157 11.962 18.821 1.00 30.55 H new ATOM 1375 N ASN A 86 3.168 12.037 19.745 1.00 22.34 N ATOM 1376 CA ASN A 86 3.868 12.998 20.590 1.00 64.03 C ATOM 1377 C ASN A 86 5.323 12.585 20.793 1.00 11.13 C ATOM 1378 O ASN A 86 6.239 13.239 20.298 1.00 44.22 O ATOM 1379 CB ASN A 86 3.168 13.124 21.944 1.00 31.11 C ATOM 1380 CG ASN A 86 1.877 13.914 21.856 1.00 55.11 C ATOM 1381 OD1 ASN A 86 1.832 15.093 22.209 1.00 73.35 O ATOM 1382 ND2 ASN A 86 0.818 13.266 21.384 1.00 52.34 N ATOM 0 H ASN A 86 3.342 11.061 19.983 1.00 22.34 H new ATOM 0 HA ASN A 86 3.850 13.966 20.089 1.00 64.03 H new ATOM 0 HB2 ASN A 86 2.956 12.129 22.334 1.00 31.11 H new ATOM 0 HB3 ASN A 86 3.839 13.608 22.653 1.00 31.11 H new ATOM 0 HD21 ASN A 86 -0.079 13.745 21.302 1.00 52.34 H new ATOM 0 HD22 ASN A 86 0.901 12.289 21.103 1.00 52.34 H new ATOM 1389 N ASN A 87 5.526 11.495 21.526 1.00 72.34 N ATOM 1390 CA ASN A 87 6.869 10.994 21.795 1.00 32.10 C ATOM 1391 C ASN A 87 7.101 9.657 21.097 1.00 0.14 C ATOM 1392 O ASN A 87 7.102 8.595 21.721 1.00 52.34 O ATOM 1393 CB ASN A 87 7.086 10.840 23.302 1.00 54.12 C ATOM 1394 CG ASN A 87 8.512 10.456 23.644 1.00 21.04 C ATOM 1395 OD1 ASN A 87 9.385 10.428 22.777 1.00 53.25 O ATOM 1396 ND2 ASN A 87 8.755 10.157 24.915 1.00 1.03 N ATOM 0 H ASN A 87 4.778 10.942 21.944 1.00 72.34 H new ATOM 0 HA ASN A 87 7.585 11.717 21.404 1.00 32.10 H new ATOM 0 HB2 ASN A 87 6.835 11.777 23.800 1.00 54.12 H new ATOM 0 HB3 ASN A 87 6.406 10.081 23.689 1.00 54.12 H new ATOM 0 HD21 ASN A 87 9.696 9.891 25.205 1.00 1.03 H new ATOM 0 HD22 ASN A 87 8.001 10.193 25.601 1.00 1.03 H new ATOM 1403 N PRO A 88 7.304 9.708 19.772 1.00 15.45 N ATOM 1404 CA PRO A 88 7.542 8.511 18.961 1.00 31.02 C ATOM 1405 C PRO A 88 8.901 7.881 19.243 1.00 25.34 C ATOM 1406 O PRO A 88 9.205 6.790 18.759 1.00 52.44 O ATOM 1407 CB PRO A 88 7.485 9.038 17.525 1.00 13.33 C ATOM 1408 CG PRO A 88 7.848 10.479 17.636 1.00 65.31 C ATOM 1409 CD PRO A 88 7.316 10.939 18.965 1.00 40.45 C ATOM 0 HA PRO A 88 6.816 7.726 19.171 1.00 31.02 H new ATOM 0 HB2 PRO A 88 8.181 8.503 16.879 1.00 13.33 H new ATOM 0 HB3 PRO A 88 6.491 8.912 17.096 1.00 13.33 H new ATOM 0 HG2 PRO A 88 8.928 10.615 17.580 1.00 65.31 H new ATOM 0 HG3 PRO A 88 7.411 11.055 16.820 1.00 65.31 H new ATOM 0 HD2 PRO A 88 7.952 11.705 19.409 1.00 40.45 H new ATOM 0 HD3 PRO A 88 6.318 11.368 18.872 1.00 40.45 H new ATOM 1417 N LYS A 89 9.717 8.573 20.031 1.00 44.21 N ATOM 1418 CA LYS A 89 11.045 8.081 20.380 1.00 52.20 C ATOM 1419 C LYS A 89 11.168 7.870 21.886 1.00 44.54 C ATOM 1420 O LYS A 89 12.203 8.169 22.481 1.00 5.25 O ATOM 1421 CB LYS A 89 12.117 9.063 19.902 1.00 61.21 C ATOM 1422 CG LYS A 89 11.997 10.444 20.522 1.00 54.45 C ATOM 1423 CD LYS A 89 13.350 11.126 20.631 1.00 1.30 C ATOM 1424 CE LYS A 89 13.233 12.497 21.280 1.00 73.01 C ATOM 1425 NZ LYS A 89 12.231 13.354 20.588 1.00 14.21 N ATOM 0 H LYS A 89 9.482 9.477 20.440 1.00 44.21 H new ATOM 0 HA LYS A 89 11.193 7.122 19.883 1.00 52.20 H new ATOM 0 HB2 LYS A 89 13.101 8.655 20.133 1.00 61.21 H new ATOM 0 HB3 LYS A 89 12.056 9.154 18.818 1.00 61.21 H new ATOM 0 HG2 LYS A 89 11.327 11.057 19.919 1.00 54.45 H new ATOM 0 HG3 LYS A 89 11.549 10.361 21.512 1.00 54.45 H new ATOM 0 HD2 LYS A 89 14.027 10.502 21.215 1.00 1.30 H new ATOM 0 HD3 LYS A 89 13.788 11.229 19.638 1.00 1.30 H new ATOM 0 HE2 LYS A 89 12.951 12.381 22.326 1.00 73.01 H new ATOM 0 HE3 LYS A 89 14.205 12.990 21.265 1.00 73.01 H new ATOM 0 HZ1 LYS A 89 12.334 14.338 20.910 1.00 14.21 H new ATOM 0 HZ2 LYS A 89 12.385 13.308 19.561 1.00 14.21 H new ATOM 0 HZ3 LYS A 89 11.273 13.016 20.809 1.00 14.21 H new ATOM 1439 N VAL A 90 10.107 7.353 22.495 1.00 33.24 N ATOM 1440 CA VAL A 90 10.098 7.100 23.931 1.00 34.42 C ATOM 1441 C VAL A 90 11.060 5.975 24.297 1.00 12.11 C ATOM 1442 O VAL A 90 11.513 5.877 25.438 1.00 61.15 O ATOM 1443 CB VAL A 90 8.686 6.735 24.428 1.00 61.42 C ATOM 1444 CG1 VAL A 90 8.222 5.427 23.804 1.00 53.42 C ATOM 1445 CG2 VAL A 90 8.662 6.648 25.946 1.00 12.14 C ATOM 0 H VAL A 90 9.242 7.101 22.017 1.00 33.24 H new ATOM 0 HA VAL A 90 10.419 8.021 24.417 1.00 34.42 H new ATOM 0 HB VAL A 90 7.997 7.522 24.121 1.00 61.42 H new ATOM 0 HG11 VAL A 90 7.223 5.185 24.167 1.00 53.42 H new ATOM 0 HG12 VAL A 90 8.199 5.529 22.719 1.00 53.42 H new ATOM 0 HG13 VAL A 90 8.911 4.628 24.079 1.00 53.42 H new ATOM 0 HG21 VAL A 90 7.657 6.389 26.280 1.00 12.14 H new ATOM 0 HG22 VAL A 90 9.363 5.882 26.278 1.00 12.14 H new ATOM 0 HG23 VAL A 90 8.949 7.610 26.370 1.00 12.14 H new