USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 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 62 SER OG : rot 180:sc= 0.318 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 171:sc= 0.121 (180deg=-0.382) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -1.43 X(o=-2.2,f=-2.4) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.81 X(o=-2.2,f=-2.1) USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.329 USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.0534 (180deg=-0.415) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0283 (180deg=-0.264) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.1) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0.0105 (180deg=0.00716) USER MOD Single : A 47 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 48 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.38) 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 61 TYR OH : rot -142:sc= 0.204 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.014) 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= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 86 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.5!) USER MOD Single : A 87 ASN : amide:sc= -0.964 K(o=-0.96,f=-2.9) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 3.594 -0.102 -1.631 1.00 71.00 N ATOM 19 CA THR A 2 4.681 -1.004 -1.990 1.00 0.21 C ATOM 20 C THR A 2 6.037 -0.337 -1.791 1.00 2.32 C ATOM 21 O THR A 2 7.067 -1.009 -1.727 1.00 14.14 O ATOM 22 CB THR A 2 4.562 -1.473 -3.452 1.00 62.12 C ATOM 23 OG1 THR A 2 3.189 -1.717 -3.778 1.00 44.14 O ATOM 24 CG2 THR A 2 5.376 -2.738 -3.682 1.00 53.25 C ATOM 0 HA THR A 2 4.604 -1.869 -1.331 1.00 0.21 H new ATOM 0 HB THR A 2 4.953 -0.686 -4.096 1.00 62.12 H new ATOM 0 HG1 THR A 2 2.613 -1.254 -3.134 1.00 44.14 H new ATOM 0 HG21 THR A 2 5.277 -3.051 -4.721 1.00 53.25 H new ATOM 0 HG22 THR A 2 6.425 -2.541 -3.461 1.00 53.25 H new ATOM 0 HG23 THR A 2 5.010 -3.530 -3.029 1.00 53.25 H new ATOM 32 N ARG A 3 6.031 0.989 -1.693 1.00 72.41 N ATOM 33 CA ARG A 3 7.261 1.747 -1.502 1.00 24.53 C ATOM 34 C ARG A 3 7.868 1.461 -0.131 1.00 63.31 C ATOM 35 O ARG A 3 7.278 0.752 0.685 1.00 41.33 O ATOM 36 CB ARG A 3 6.991 3.245 -1.649 1.00 31.00 C ATOM 37 CG ARG A 3 6.123 3.592 -2.847 1.00 54.22 C ATOM 38 CD ARG A 3 6.713 3.049 -4.139 1.00 40.01 C ATOM 39 NE ARG A 3 8.117 3.420 -4.298 1.00 32.54 N ATOM 40 CZ ARG A 3 8.519 4.617 -4.709 1.00 71.34 C ATOM 41 NH1 ARG A 3 7.628 5.554 -5.002 1.00 43.32 N ATOM 42 NH2 ARG A 3 9.814 4.878 -4.829 1.00 3.25 N ATOM 0 H ARG A 3 5.187 1.560 -1.743 1.00 72.41 H new ATOM 0 HA ARG A 3 7.972 1.436 -2.268 1.00 24.53 H new ATOM 0 HB2 ARG A 3 6.507 3.609 -0.743 1.00 31.00 H new ATOM 0 HB3 ARG A 3 7.942 3.770 -1.736 1.00 31.00 H new ATOM 0 HG2 ARG A 3 5.123 3.184 -2.703 1.00 54.22 H new ATOM 0 HG3 ARG A 3 6.018 4.674 -2.920 1.00 54.22 H new ATOM 0 HD2 ARG A 3 6.621 1.963 -4.151 1.00 40.01 H new ATOM 0 HD3 ARG A 3 6.140 3.427 -4.986 1.00 40.01 H new ATOM 0 HE ARG A 3 8.828 2.721 -4.081 1.00 32.54 H new ATOM 0 HH11 ARG A 3 6.631 5.356 -4.912 1.00 43.32 H new ATOM 0 HH12 ARG A 3 7.939 6.473 -5.317 1.00 43.32 H new ATOM 0 HH21 ARG A 3 10.502 4.159 -4.606 1.00 3.25 H new ATOM 0 HH22 ARG A 3 10.122 5.798 -5.145 1.00 3.25 H new ATOM 56 N ASP A 4 9.050 2.016 0.114 1.00 30.22 N ATOM 57 CA ASP A 4 9.737 1.821 1.386 1.00 51.32 C ATOM 58 C ASP A 4 9.413 2.952 2.357 1.00 33.01 C ATOM 59 O ASP A 4 9.089 4.066 1.944 1.00 72.31 O ATOM 60 CB ASP A 4 11.248 1.739 1.166 1.00 63.21 C ATOM 61 CG ASP A 4 11.854 3.079 0.798 1.00 72.02 C ATOM 62 OD1 ASP A 4 11.445 3.652 -0.234 1.00 14.11 O ATOM 63 OD2 ASP A 4 12.736 3.555 1.542 1.00 43.23 O ATOM 0 H ASP A 4 9.552 2.604 -0.551 1.00 30.22 H new ATOM 0 HA ASP A 4 9.389 0.883 1.819 1.00 51.32 H new ATOM 0 HB2 ASP A 4 11.724 1.365 2.072 1.00 63.21 H new ATOM 0 HB3 ASP A 4 11.458 1.019 0.375 1.00 63.21 H new ATOM 68 N PHE A 5 9.501 2.658 3.650 1.00 30.01 N ATOM 69 CA PHE A 5 9.215 3.649 4.681 1.00 40.23 C ATOM 70 C PHE A 5 10.505 4.167 5.310 1.00 50.53 C ATOM 71 O PHE A 5 11.595 3.680 5.010 1.00 22.14 O ATOM 72 CB PHE A 5 8.314 3.047 5.761 1.00 54.52 C ATOM 73 CG PHE A 5 6.851 3.116 5.427 1.00 33.50 C ATOM 74 CD1 PHE A 5 6.132 4.282 5.637 1.00 23.41 C ATOM 75 CD2 PHE A 5 6.194 2.014 4.903 1.00 62.23 C ATOM 76 CE1 PHE A 5 4.786 4.346 5.332 1.00 50.54 C ATOM 77 CE2 PHE A 5 4.848 2.073 4.595 1.00 60.02 C ATOM 78 CZ PHE A 5 4.143 3.241 4.809 1.00 43.34 C ATOM 0 H PHE A 5 9.768 1.741 4.009 1.00 30.01 H new ATOM 0 HA PHE A 5 8.698 4.486 4.212 1.00 40.23 H new ATOM 0 HB2 PHE A 5 8.594 2.005 5.918 1.00 54.52 H new ATOM 0 HB3 PHE A 5 8.489 3.569 6.702 1.00 54.52 H new ATOM 0 HD1 PHE A 5 6.629 5.150 6.044 1.00 23.41 H new ATOM 0 HD2 PHE A 5 6.740 1.098 4.733 1.00 62.23 H new ATOM 0 HE1 PHE A 5 4.237 5.260 5.503 1.00 50.54 H new ATOM 0 HE2 PHE A 5 4.348 1.207 4.187 1.00 60.02 H new ATOM 0 HZ PHE A 5 3.091 3.290 4.568 1.00 43.34 H new ATOM 88 N LYS A 6 10.373 5.160 6.183 1.00 10.11 N ATOM 89 CA LYS A 6 11.526 5.746 6.856 1.00 21.03 C ATOM 90 C LYS A 6 11.475 5.477 8.357 1.00 72.02 C ATOM 91 O LYS A 6 10.425 5.169 8.921 1.00 33.20 O ATOM 92 CB LYS A 6 11.581 7.254 6.599 1.00 31.42 C ATOM 93 CG LYS A 6 12.364 7.630 5.353 1.00 11.14 C ATOM 94 CD LYS A 6 11.531 7.449 4.095 1.00 0.44 C ATOM 95 CE LYS A 6 10.620 8.643 3.854 1.00 44.54 C ATOM 96 NZ LYS A 6 11.394 9.874 3.530 1.00 12.33 N ATOM 0 H LYS A 6 9.478 5.576 6.441 1.00 10.11 H new ATOM 0 HA LYS A 6 12.425 5.282 6.452 1.00 21.03 H new ATOM 0 HB2 LYS A 6 10.564 7.636 6.508 1.00 31.42 H new ATOM 0 HB3 LYS A 6 12.030 7.745 7.462 1.00 31.42 H new ATOM 0 HG2 LYS A 6 12.692 8.667 5.427 1.00 11.14 H new ATOM 0 HG3 LYS A 6 13.262 7.016 5.287 1.00 11.14 H new ATOM 0 HD2 LYS A 6 12.190 7.314 3.237 1.00 0.44 H new ATOM 0 HD3 LYS A 6 10.931 6.543 4.182 1.00 0.44 H new ATOM 0 HE2 LYS A 6 9.935 8.418 3.036 1.00 44.54 H new ATOM 0 HE3 LYS A 6 10.011 8.820 4.740 1.00 44.54 H new ATOM 0 HZ1 LYS A 6 10.783 10.544 3.021 1.00 12.33 H new ATOM 0 HZ2 LYS A 6 11.732 10.313 4.410 1.00 12.33 H new ATOM 0 HZ3 LYS A 6 12.208 9.625 2.932 1.00 12.33 H new ATOM 110 N PRO A 7 12.634 5.597 9.020 1.00 22.14 N ATOM 111 CA PRO A 7 12.747 5.373 10.465 1.00 75.13 C ATOM 112 C PRO A 7 12.056 6.464 11.276 1.00 4.01 C ATOM 113 O PRO A 7 12.432 7.633 11.208 1.00 43.51 O ATOM 114 CB PRO A 7 14.257 5.398 10.711 1.00 21.22 C ATOM 115 CG PRO A 7 14.809 6.223 9.600 1.00 74.30 C ATOM 116 CD PRO A 7 13.925 5.961 8.412 1.00 53.11 C ATOM 0 HA PRO A 7 12.267 4.444 10.772 1.00 75.13 H new ATOM 0 HB2 PRO A 7 14.493 5.833 11.682 1.00 21.22 H new ATOM 0 HB3 PRO A 7 14.676 4.392 10.703 1.00 21.22 H new ATOM 0 HG2 PRO A 7 14.808 7.281 9.862 1.00 74.30 H new ATOM 0 HG3 PRO A 7 15.842 5.949 9.386 1.00 74.30 H new ATOM 0 HD2 PRO A 7 13.835 6.842 7.776 1.00 53.11 H new ATOM 0 HD3 PRO A 7 14.317 5.157 7.789 1.00 53.11 H new ATOM 124 N GLY A 8 11.044 6.073 12.045 1.00 41.34 N ATOM 125 CA GLY A 8 10.318 7.031 12.858 1.00 30.44 C ATOM 126 C GLY A 8 9.005 7.450 12.227 1.00 20.14 C ATOM 127 O GLY A 8 8.441 8.485 12.582 1.00 34.12 O ATOM 0 H GLY A 8 10.714 5.111 12.119 1.00 41.34 H new ATOM 0 HA2 GLY A 8 10.124 6.597 13.839 1.00 30.44 H new ATOM 0 HA3 GLY A 8 10.939 7.913 13.017 1.00 30.44 H new ATOM 131 N ASP A 9 8.518 6.646 11.289 1.00 64.04 N ATOM 132 CA ASP A 9 7.264 6.939 10.606 1.00 54.42 C ATOM 133 C ASP A 9 6.099 6.214 11.273 1.00 64.20 C ATOM 134 O ASP A 9 6.179 5.017 11.555 1.00 4.55 O ATOM 135 CB ASP A 9 7.354 6.538 9.133 1.00 50.23 C ATOM 136 CG ASP A 9 7.740 7.700 8.239 1.00 43.22 C ATOM 137 OD1 ASP A 9 8.296 8.689 8.760 1.00 43.54 O ATOM 138 OD2 ASP A 9 7.486 7.621 7.019 1.00 72.24 O ATOM 0 H ASP A 9 8.973 5.786 10.984 1.00 64.04 H new ATOM 0 HA ASP A 9 7.086 8.012 10.672 1.00 54.42 H new ATOM 0 HB2 ASP A 9 8.086 5.739 9.021 1.00 50.23 H new ATOM 0 HB3 ASP A 9 6.393 6.138 8.809 1.00 50.23 H new ATOM 143 N LEU A 10 5.019 6.945 11.523 1.00 32.22 N ATOM 144 CA LEU A 10 3.837 6.371 12.159 1.00 44.44 C ATOM 145 C LEU A 10 3.058 5.504 11.176 1.00 73.32 C ATOM 146 O LEU A 10 2.528 5.999 10.181 1.00 61.25 O ATOM 147 CB LEU A 10 2.937 7.482 12.702 1.00 74.10 C ATOM 148 CG LEU A 10 3.422 8.177 13.974 1.00 11.43 C ATOM 149 CD1 LEU A 10 4.625 9.059 13.675 1.00 33.34 C ATOM 150 CD2 LEU A 10 2.300 8.996 14.596 1.00 53.34 C ATOM 0 H LEU A 10 4.936 7.936 11.296 1.00 32.22 H new ATOM 0 HA LEU A 10 4.167 5.743 12.986 1.00 44.44 H new ATOM 0 HB2 LEU A 10 2.815 8.236 11.924 1.00 74.10 H new ATOM 0 HB3 LEU A 10 1.950 7.061 12.896 1.00 74.10 H new ATOM 0 HG LEU A 10 3.726 7.412 14.689 1.00 11.43 H new ATOM 0 HD11 LEU A 10 4.956 9.546 14.592 1.00 33.34 H new ATOM 0 HD12 LEU A 10 5.434 8.448 13.276 1.00 33.34 H new ATOM 0 HD13 LEU A 10 4.347 9.817 12.942 1.00 33.34 H new ATOM 0 HD21 LEU A 10 2.664 9.484 15.501 1.00 53.34 H new ATOM 0 HD22 LEU A 10 1.965 9.752 13.886 1.00 53.34 H new ATOM 0 HD23 LEU A 10 1.467 8.340 14.848 1.00 53.34 H new ATOM 162 N ILE A 11 2.990 4.208 11.463 1.00 10.22 N ATOM 163 CA ILE A 11 2.272 3.273 10.606 1.00 30.35 C ATOM 164 C ILE A 11 1.723 2.100 11.412 1.00 62.12 C ATOM 165 O ILE A 11 2.386 1.588 12.314 1.00 2.11 O ATOM 166 CB ILE A 11 3.175 2.731 9.483 1.00 43.33 C ATOM 167 CG1 ILE A 11 4.407 2.043 10.075 1.00 34.14 C ATOM 168 CG2 ILE A 11 3.590 3.858 8.548 1.00 61.53 C ATOM 169 CD1 ILE A 11 4.213 0.562 10.318 1.00 41.43 C ATOM 0 H ILE A 11 3.423 3.782 12.282 1.00 10.22 H new ATOM 0 HA ILE A 11 1.444 3.825 10.161 1.00 30.35 H new ATOM 0 HB ILE A 11 2.613 1.995 8.908 1.00 43.33 H new ATOM 0 HG12 ILE A 11 5.252 2.185 9.401 1.00 34.14 H new ATOM 0 HG13 ILE A 11 4.666 2.527 11.017 1.00 34.14 H new ATOM 0 HG21 ILE A 11 4.228 3.460 7.759 1.00 61.53 H new ATOM 0 HG22 ILE A 11 2.702 4.308 8.104 1.00 61.53 H new ATOM 0 HG23 ILE A 11 4.137 4.614 9.110 1.00 61.53 H new ATOM 0 HD11 ILE A 11 5.126 0.140 10.738 1.00 41.43 H new ATOM 0 HD12 ILE A 11 3.389 0.413 11.016 1.00 41.43 H new ATOM 0 HD13 ILE A 11 3.984 0.066 9.375 1.00 41.43 H new ATOM 181 N PHE A 12 0.508 1.677 11.078 1.00 2.23 N ATOM 182 CA PHE A 12 -0.130 0.563 11.770 1.00 53.43 C ATOM 183 C PHE A 12 0.382 -0.772 11.239 1.00 63.23 C ATOM 184 O PHE A 12 0.151 -1.122 10.082 1.00 61.21 O ATOM 185 CB PHE A 12 -1.650 0.639 11.609 1.00 10.50 C ATOM 186 CG PHE A 12 -2.331 1.411 12.704 1.00 63.35 C ATOM 187 CD1 PHE A 12 -1.934 2.703 13.008 1.00 32.13 C ATOM 188 CD2 PHE A 12 -3.367 0.844 13.427 1.00 33.32 C ATOM 189 CE1 PHE A 12 -2.558 3.414 14.015 1.00 14.35 C ATOM 190 CE2 PHE A 12 -3.996 1.551 14.435 1.00 25.54 C ATOM 191 CZ PHE A 12 -3.591 2.838 14.729 1.00 31.10 C ATOM 0 H PHE A 12 -0.054 2.089 10.333 1.00 2.23 H new ATOM 0 HA PHE A 12 0.121 0.633 12.828 1.00 53.43 H new ATOM 0 HB2 PHE A 12 -1.883 1.102 10.650 1.00 10.50 H new ATOM 0 HB3 PHE A 12 -2.056 -0.372 11.582 1.00 10.50 H new ATOM 0 HD1 PHE A 12 -1.128 3.159 12.452 1.00 32.13 H new ATOM 0 HD2 PHE A 12 -3.687 -0.162 13.201 1.00 33.32 H new ATOM 0 HE1 PHE A 12 -2.238 4.420 14.244 1.00 14.35 H new ATOM 0 HE2 PHE A 12 -4.803 1.097 14.992 1.00 25.54 H new ATOM 0 HZ PHE A 12 -4.081 3.393 15.515 1.00 31.10 H new ATOM 201 N ALA A 13 1.080 -1.513 12.093 1.00 22.21 N ATOM 202 CA ALA A 13 1.625 -2.810 11.712 1.00 73.34 C ATOM 203 C ALA A 13 0.551 -3.892 11.758 1.00 14.32 C ATOM 204 O ALA A 13 -0.222 -3.974 12.713 1.00 1.34 O ATOM 205 CB ALA A 13 2.789 -3.181 12.618 1.00 64.02 C ATOM 0 H ALA A 13 1.281 -1.237 13.054 1.00 22.21 H new ATOM 0 HA ALA A 13 1.987 -2.737 10.686 1.00 73.34 H new ATOM 0 HB1 ALA A 13 3.186 -4.152 12.321 1.00 64.02 H new ATOM 0 HB2 ALA A 13 3.572 -2.427 12.532 1.00 64.02 H new ATOM 0 HB3 ALA A 13 2.445 -3.230 13.651 1.00 64.02 H new ATOM 211 N LYS A 14 0.506 -4.720 10.720 1.00 23.24 N ATOM 212 CA LYS A 14 -0.473 -5.798 10.642 1.00 3.22 C ATOM 213 C LYS A 14 0.200 -7.157 10.805 1.00 61.10 C ATOM 214 O LYS A 14 0.867 -7.643 9.892 1.00 4.22 O ATOM 215 CB LYS A 14 -1.217 -5.742 9.306 1.00 33.24 C ATOM 216 CG LYS A 14 -2.245 -6.848 9.136 1.00 2.23 C ATOM 217 CD LYS A 14 -3.618 -6.412 9.621 1.00 63.45 C ATOM 218 CE LYS A 14 -4.637 -7.534 9.489 1.00 24.12 C ATOM 219 NZ LYS A 14 -4.733 -8.035 8.090 1.00 25.32 N ATOM 0 H LYS A 14 1.137 -4.665 9.920 1.00 23.24 H new ATOM 0 HA LYS A 14 -1.187 -5.667 11.455 1.00 3.22 H new ATOM 0 HB2 LYS A 14 -1.716 -4.777 9.218 1.00 33.24 H new ATOM 0 HB3 LYS A 14 -0.493 -5.802 8.493 1.00 33.24 H new ATOM 0 HG2 LYS A 14 -2.303 -7.134 8.086 1.00 2.23 H new ATOM 0 HG3 LYS A 14 -1.926 -7.731 9.690 1.00 2.23 H new ATOM 0 HD2 LYS A 14 -3.554 -6.097 10.663 1.00 63.45 H new ATOM 0 HD3 LYS A 14 -3.951 -5.547 9.047 1.00 63.45 H new ATOM 0 HE2 LYS A 14 -4.361 -8.355 10.151 1.00 24.12 H new ATOM 0 HE3 LYS A 14 -5.614 -7.177 9.815 1.00 24.12 H new ATOM 0 HZ1 LYS A 14 -5.587 -8.620 7.988 1.00 25.32 H new ATOM 0 HZ2 LYS A 14 -4.786 -7.229 7.435 1.00 25.32 H new ATOM 0 HZ3 LYS A 14 -3.893 -8.607 7.868 1.00 25.32 H new ATOM 233 N MET A 15 0.019 -7.766 11.972 1.00 33.12 N ATOM 234 CA MET A 15 0.607 -9.071 12.252 1.00 15.14 C ATOM 235 C MET A 15 -0.283 -10.192 11.726 1.00 74.41 C ATOM 236 O MET A 15 -1.505 -10.150 11.872 1.00 31.22 O ATOM 237 CB MET A 15 0.827 -9.242 13.757 1.00 71.44 C ATOM 238 CG MET A 15 2.207 -8.807 14.222 1.00 12.11 C ATOM 239 SD MET A 15 2.388 -8.873 16.015 1.00 60.11 S ATOM 240 CE MET A 15 3.030 -10.531 16.229 1.00 21.42 C ATOM 0 H MET A 15 -0.530 -7.377 12.739 1.00 33.12 H new ATOM 0 HA MET A 15 1.569 -9.126 11.743 1.00 15.14 H new ATOM 0 HB2 MET A 15 0.073 -8.666 14.294 1.00 71.44 H new ATOM 0 HB3 MET A 15 0.677 -10.289 14.021 1.00 71.44 H new ATOM 0 HG2 MET A 15 2.960 -9.446 13.761 1.00 12.11 H new ATOM 0 HG3 MET A 15 2.398 -7.790 13.878 1.00 12.11 H new ATOM 0 HE1 MET A 15 3.195 -10.723 17.289 1.00 21.42 H new ATOM 0 HE2 MET A 15 2.313 -11.252 15.836 1.00 21.42 H new ATOM 0 HE3 MET A 15 3.973 -10.628 15.692 1.00 21.42 H new ATOM 250 N LYS A 16 0.336 -11.195 11.112 1.00 4.14 N ATOM 251 CA LYS A 16 -0.399 -12.329 10.565 1.00 45.24 C ATOM 252 C LYS A 16 -1.322 -12.938 11.615 1.00 3.42 C ATOM 253 O LYS A 16 -0.863 -13.552 12.577 1.00 12.04 O ATOM 254 CB LYS A 16 0.574 -13.391 10.048 1.00 71.45 C ATOM 255 CG LYS A 16 0.931 -13.226 8.581 1.00 63.35 C ATOM 256 CD LYS A 16 -0.115 -13.858 7.677 1.00 4.03 C ATOM 257 CE LYS A 16 -0.023 -13.320 6.258 1.00 52.15 C ATOM 258 NZ LYS A 16 -0.690 -11.995 6.123 1.00 45.14 N ATOM 0 H LYS A 16 1.346 -11.245 10.981 1.00 4.14 H new ATOM 0 HA LYS A 16 -1.009 -11.969 9.737 1.00 45.24 H new ATOM 0 HB2 LYS A 16 1.487 -13.355 10.642 1.00 71.45 H new ATOM 0 HB3 LYS A 16 0.135 -14.377 10.198 1.00 71.45 H new ATOM 0 HG2 LYS A 16 1.024 -12.166 8.345 1.00 63.35 H new ATOM 0 HG3 LYS A 16 1.902 -13.682 8.389 1.00 63.35 H new ATOM 0 HD2 LYS A 16 0.017 -14.940 7.666 1.00 4.03 H new ATOM 0 HD3 LYS A 16 -1.110 -13.663 8.078 1.00 4.03 H new ATOM 0 HE2 LYS A 16 1.025 -13.230 5.971 1.00 52.15 H new ATOM 0 HE3 LYS A 16 -0.482 -14.030 5.570 1.00 52.15 H new ATOM 0 HZ1 LYS A 16 -0.605 -11.662 5.141 1.00 45.14 H new ATOM 0 HZ2 LYS A 16 -1.696 -12.086 6.373 1.00 45.14 H new ATOM 0 HZ3 LYS A 16 -0.235 -11.311 6.761 1.00 45.14 H new ATOM 272 N GLY A 17 -2.626 -12.764 11.423 1.00 41.30 N ATOM 273 CA GLY A 17 -3.592 -13.303 12.361 1.00 35.14 C ATOM 274 C GLY A 17 -3.918 -12.333 13.480 1.00 73.31 C ATOM 275 O GLY A 17 -4.351 -12.741 14.558 1.00 25.13 O ATOM 0 H GLY A 17 -3.030 -12.259 10.634 1.00 41.30 H new ATOM 0 HA2 GLY A 17 -4.508 -13.559 11.828 1.00 35.14 H new ATOM 0 HA3 GLY A 17 -3.203 -14.227 12.788 1.00 35.14 H new ATOM 279 N TYR A 18 -3.709 -11.047 13.225 1.00 53.45 N ATOM 280 CA TYR A 18 -3.980 -10.016 14.220 1.00 62.11 C ATOM 281 C TYR A 18 -4.423 -8.717 13.553 1.00 23.40 C ATOM 282 O TYR A 18 -4.058 -8.418 12.416 1.00 53.51 O ATOM 283 CB TYR A 18 -2.737 -9.765 15.075 1.00 21.14 C ATOM 284 CG TYR A 18 -2.125 -11.028 15.639 1.00 45.52 C ATOM 285 CD1 TYR A 18 -1.227 -11.781 14.892 1.00 32.14 C ATOM 286 CD2 TYR A 18 -2.443 -11.466 16.918 1.00 23.13 C ATOM 287 CE1 TYR A 18 -0.666 -12.935 15.403 1.00 70.51 C ATOM 288 CE2 TYR A 18 -1.885 -12.619 17.438 1.00 52.44 C ATOM 289 CZ TYR A 18 -0.998 -13.350 16.676 1.00 41.01 C ATOM 290 OH TYR A 18 -0.440 -14.499 17.189 1.00 41.43 O ATOM 0 H TYR A 18 -3.353 -10.693 12.337 1.00 53.45 H new ATOM 0 HA TYR A 18 -4.789 -10.368 14.860 1.00 62.11 H new ATOM 0 HB2 TYR A 18 -1.991 -9.247 14.473 1.00 21.14 H new ATOM 0 HB3 TYR A 18 -3.000 -9.100 15.898 1.00 21.14 H new ATOM 0 HD1 TYR A 18 -0.963 -11.458 13.896 1.00 32.14 H new ATOM 0 HD2 TYR A 18 -3.138 -10.896 17.517 1.00 23.13 H new ATOM 0 HE1 TYR A 18 0.029 -13.510 14.809 1.00 70.51 H new ATOM 0 HE2 TYR A 18 -2.142 -12.945 18.435 1.00 52.44 H new ATOM 0 HH TYR A 18 -0.778 -14.650 18.097 1.00 41.43 H new ATOM 300 N PRO A 19 -5.228 -7.926 14.277 1.00 33.53 N ATOM 301 CA PRO A 19 -5.738 -6.646 13.778 1.00 73.11 C ATOM 302 C PRO A 19 -4.643 -5.591 13.663 1.00 73.11 C ATOM 303 O PRO A 19 -3.500 -5.823 14.057 1.00 0.13 O ATOM 304 CB PRO A 19 -6.766 -6.237 14.836 1.00 52.23 C ATOM 305 CG PRO A 19 -6.322 -6.924 16.081 1.00 54.21 C ATOM 306 CD PRO A 19 -5.703 -8.221 15.640 1.00 42.01 C ATOM 0 HA PRO A 19 -6.152 -6.736 12.774 1.00 73.11 H new ATOM 0 HB2 PRO A 19 -6.790 -5.155 14.968 1.00 52.23 H new ATOM 0 HB3 PRO A 19 -7.772 -6.545 14.551 1.00 52.23 H new ATOM 0 HG2 PRO A 19 -5.603 -6.314 16.628 1.00 54.21 H new ATOM 0 HG3 PRO A 19 -7.164 -7.101 16.750 1.00 54.21 H new ATOM 0 HD2 PRO A 19 -4.884 -8.519 16.295 1.00 42.01 H new ATOM 0 HD3 PRO A 19 -6.428 -9.035 15.646 1.00 42.01 H new ATOM 314 N HIS A 20 -5.000 -4.431 13.121 1.00 71.03 N ATOM 315 CA HIS A 20 -4.047 -3.339 12.955 1.00 71.30 C ATOM 316 C HIS A 20 -3.659 -2.748 14.307 1.00 44.55 C ATOM 317 O HIS A 20 -4.478 -2.679 15.223 1.00 45.50 O ATOM 318 CB HIS A 20 -4.638 -2.250 12.059 1.00 22.21 C ATOM 319 CG HIS A 20 -5.415 -2.787 10.897 1.00 64.05 C ATOM 320 ND1 HIS A 20 -4.818 -3.347 9.787 1.00 42.13 N ATOM 321 CD2 HIS A 20 -6.749 -2.849 10.676 1.00 43.21 C ATOM 322 CE1 HIS A 20 -5.751 -3.728 8.933 1.00 71.21 C ATOM 323 NE2 HIS A 20 -6.932 -3.438 9.449 1.00 43.41 N ATOM 0 H HIS A 20 -5.942 -4.223 12.789 1.00 71.03 H new ATOM 0 HA HIS A 20 -3.150 -3.740 12.482 1.00 71.30 H new ATOM 0 HB2 HIS A 20 -5.289 -1.612 12.657 1.00 22.21 H new ATOM 0 HB3 HIS A 20 -3.830 -1.620 11.686 1.00 22.21 H new ATOM 0 HD2 HIS A 20 -7.525 -2.500 11.341 1.00 43.21 H new ATOM 0 HE1 HIS A 20 -5.578 -4.197 7.976 1.00 71.21 H new ATOM 0 HE2 HIS A 20 -7.833 -3.622 9.008 1.00 43.41 H new ATOM 331 N TRP A 21 -2.406 -2.323 14.423 1.00 64.15 N ATOM 332 CA TRP A 21 -1.909 -1.738 15.663 1.00 63.02 C ATOM 333 C TRP A 21 -0.844 -0.684 15.379 1.00 30.22 C ATOM 334 O TRP A 21 0.026 -0.860 14.526 1.00 20.31 O ATOM 335 CB TRP A 21 -1.337 -2.827 16.571 1.00 25.43 C ATOM 336 CG TRP A 21 -0.697 -2.288 17.815 1.00 33.32 C ATOM 337 CD1 TRP A 21 0.573 -1.803 17.940 1.00 63.44 C ATOM 338 CD2 TRP A 21 -1.298 -2.181 19.110 1.00 33.52 C ATOM 339 NE1 TRP A 21 0.798 -1.402 19.234 1.00 4.42 N ATOM 340 CE2 TRP A 21 -0.334 -1.622 19.972 1.00 75.21 C ATOM 341 CE3 TRP A 21 -2.557 -2.502 19.625 1.00 12.34 C ATOM 342 CZ2 TRP A 21 -0.592 -1.379 21.318 1.00 0.14 C ATOM 343 CZ3 TRP A 21 -2.811 -2.260 20.962 1.00 11.11 C ATOM 344 CH2 TRP A 21 -1.833 -1.702 21.796 1.00 21.21 C ATOM 0 H TRP A 21 -1.716 -2.373 13.674 1.00 64.15 H new ATOM 0 HA TRP A 21 -2.745 -1.255 16.169 1.00 63.02 H new ATOM 0 HB2 TRP A 21 -2.136 -3.514 16.850 1.00 25.43 H new ATOM 0 HB3 TRP A 21 -0.600 -3.405 16.013 1.00 25.43 H new ATOM 0 HD1 TRP A 21 1.295 -1.743 17.139 1.00 63.44 H new ATOM 0 HE1 TRP A 21 1.668 -1.004 19.588 1.00 4.42 H new ATOM 0 HE3 TRP A 21 -3.318 -2.931 18.990 1.00 12.34 H new ATOM 0 HZ2 TRP A 21 0.161 -0.950 21.963 1.00 0.14 H new ATOM 0 HZ3 TRP A 21 -3.780 -2.505 21.371 1.00 11.11 H new ATOM 0 HH2 TRP A 21 -2.063 -1.523 22.836 1.00 21.21 H new ATOM 355 N PRO A 22 -0.912 0.439 16.110 1.00 25.51 N ATOM 356 CA PRO A 22 0.040 1.543 15.955 1.00 62.51 C ATOM 357 C PRO A 22 1.434 1.182 16.459 1.00 74.15 C ATOM 358 O PRO A 22 1.619 0.882 17.638 1.00 43.35 O ATOM 359 CB PRO A 22 -0.566 2.657 16.812 1.00 72.25 C ATOM 360 CG PRO A 22 -1.392 1.946 17.828 1.00 3.30 C ATOM 361 CD PRO A 22 -1.922 0.716 17.145 1.00 41.33 C ATOM 0 HA PRO A 22 0.178 1.818 14.909 1.00 62.51 H new ATOM 0 HB2 PRO A 22 0.210 3.260 17.284 1.00 72.25 H new ATOM 0 HB3 PRO A 22 -1.174 3.333 16.211 1.00 72.25 H new ATOM 0 HG2 PRO A 22 -0.795 1.681 18.700 1.00 3.30 H new ATOM 0 HG3 PRO A 22 -2.207 2.578 18.180 1.00 3.30 H new ATOM 0 HD2 PRO A 22 -2.024 -0.117 17.840 1.00 41.33 H new ATOM 0 HD3 PRO A 22 -2.906 0.890 16.710 1.00 41.33 H new ATOM 369 N ALA A 23 2.410 1.213 15.557 1.00 10.34 N ATOM 370 CA ALA A 23 3.787 0.892 15.912 1.00 51.04 C ATOM 371 C ALA A 23 4.756 1.917 15.332 1.00 62.30 C ATOM 372 O ALA A 23 4.341 2.908 14.733 1.00 54.54 O ATOM 373 CB ALA A 23 4.143 -0.506 15.429 1.00 25.34 C ATOM 0 H ALA A 23 2.273 1.457 14.576 1.00 10.34 H new ATOM 0 HA ALA A 23 3.874 0.923 16.998 1.00 51.04 H new ATOM 0 HB1 ALA A 23 5.174 -0.733 15.700 1.00 25.34 H new ATOM 0 HB2 ALA A 23 3.477 -1.232 15.894 1.00 25.34 H new ATOM 0 HB3 ALA A 23 4.034 -0.555 14.346 1.00 25.34 H new ATOM 379 N ARG A 24 6.049 1.671 15.515 1.00 23.12 N ATOM 380 CA ARG A 24 7.077 2.574 15.012 1.00 65.31 C ATOM 381 C ARG A 24 8.084 1.822 14.146 1.00 43.21 C ATOM 382 O ARG A 24 8.430 0.675 14.430 1.00 14.21 O ATOM 383 CB ARG A 24 7.799 3.258 16.174 1.00 20.14 C ATOM 384 CG ARG A 24 9.038 4.030 15.752 1.00 24.12 C ATOM 385 CD ARG A 24 10.300 3.199 15.930 1.00 14.12 C ATOM 386 NE ARG A 24 11.497 4.032 16.012 1.00 35.15 N ATOM 387 CZ ARG A 24 12.688 3.572 16.377 1.00 22.00 C ATOM 388 NH1 ARG A 24 12.841 2.293 16.691 1.00 62.13 N ATOM 389 NH2 ARG A 24 13.730 4.392 16.428 1.00 41.13 N ATOM 0 H ARG A 24 6.410 0.854 16.008 1.00 23.12 H new ATOM 0 HA ARG A 24 6.590 3.333 14.399 1.00 65.31 H new ATOM 0 HB2 ARG A 24 7.108 3.940 16.669 1.00 20.14 H new ATOM 0 HB3 ARG A 24 8.084 2.504 16.908 1.00 20.14 H new ATOM 0 HG2 ARG A 24 8.943 4.330 14.709 1.00 24.12 H new ATOM 0 HG3 ARG A 24 9.117 4.944 16.341 1.00 24.12 H new ATOM 0 HD2 ARG A 24 10.214 2.598 16.835 1.00 14.12 H new ATOM 0 HD3 ARG A 24 10.398 2.505 15.095 1.00 14.12 H new ATOM 0 HE ARG A 24 11.414 5.021 15.776 1.00 35.15 H new ATOM 0 HH11 ARG A 24 12.043 1.659 16.653 1.00 62.13 H new ATOM 0 HH12 ARG A 24 13.757 1.943 16.971 1.00 62.13 H new ATOM 0 HH21 ARG A 24 13.616 5.377 16.187 1.00 41.13 H new ATOM 0 HH22 ARG A 24 14.644 4.038 16.709 1.00 41.13 H new ATOM 403 N VAL A 25 8.552 2.477 13.087 1.00 35.34 N ATOM 404 CA VAL A 25 9.519 1.871 12.180 1.00 51.30 C ATOM 405 C VAL A 25 10.944 2.070 12.684 1.00 40.13 C ATOM 406 O VAL A 25 11.326 3.172 13.078 1.00 41.23 O ATOM 407 CB VAL A 25 9.401 2.458 10.761 1.00 41.41 C ATOM 408 CG1 VAL A 25 10.419 1.816 9.831 1.00 74.53 C ATOM 409 CG2 VAL A 25 7.989 2.278 10.226 1.00 54.13 C ATOM 0 H VAL A 25 8.277 3.427 12.837 1.00 35.34 H new ATOM 0 HA VAL A 25 9.295 0.805 12.144 1.00 51.30 H new ATOM 0 HB VAL A 25 9.613 3.526 10.810 1.00 41.41 H new ATOM 0 HG11 VAL A 25 10.320 2.243 8.833 1.00 74.53 H new ATOM 0 HG12 VAL A 25 11.425 2.002 10.208 1.00 74.53 H new ATOM 0 HG13 VAL A 25 10.242 0.741 9.785 1.00 74.53 H new ATOM 0 HG21 VAL A 25 7.924 2.699 9.222 1.00 54.13 H new ATOM 0 HG22 VAL A 25 7.746 1.216 10.191 1.00 54.13 H new ATOM 0 HG23 VAL A 25 7.284 2.790 10.881 1.00 54.13 H new ATOM 419 N ASP A 26 11.726 0.997 12.668 1.00 63.43 N ATOM 420 CA ASP A 26 13.111 1.053 13.121 1.00 21.34 C ATOM 421 C ASP A 26 14.071 1.075 11.936 1.00 71.21 C ATOM 422 O ASP A 26 13.675 0.816 10.800 1.00 13.01 O ATOM 423 CB ASP A 26 13.423 -0.142 14.024 1.00 2.11 C ATOM 424 CG ASP A 26 14.389 0.211 15.139 1.00 55.15 C ATOM 425 OD1 ASP A 26 14.951 1.326 15.106 1.00 60.12 O ATOM 426 OD2 ASP A 26 14.581 -0.627 16.044 1.00 52.11 O ATOM 0 H ASP A 26 11.425 0.077 12.346 1.00 63.43 H new ATOM 0 HA ASP A 26 13.244 1.973 13.690 1.00 21.34 H new ATOM 0 HB2 ASP A 26 12.496 -0.519 14.456 1.00 2.11 H new ATOM 0 HB3 ASP A 26 13.845 -0.947 13.423 1.00 2.11 H new ATOM 431 N GLU A 27 15.334 1.387 12.209 1.00 30.43 N ATOM 432 CA GLU A 27 16.349 1.444 11.164 1.00 2.21 C ATOM 433 C GLU A 27 17.053 0.098 11.014 1.00 13.42 C ATOM 434 O GLU A 27 16.835 -0.820 11.805 1.00 62.03 O ATOM 435 CB GLU A 27 17.375 2.536 11.478 1.00 75.22 C ATOM 436 CG GLU A 27 18.178 2.271 12.740 1.00 42.41 C ATOM 437 CD GLU A 27 19.333 3.239 12.909 1.00 25.13 C ATOM 438 OE1 GLU A 27 20.400 3.003 12.304 1.00 74.41 O ATOM 439 OE2 GLU A 27 19.171 4.233 13.648 1.00 75.03 O ATOM 0 H GLU A 27 15.678 1.604 13.144 1.00 30.43 H new ATOM 0 HA GLU A 27 15.852 1.681 10.223 1.00 2.21 H new ATOM 0 HB2 GLU A 27 18.060 2.633 10.635 1.00 75.22 H new ATOM 0 HB3 GLU A 27 16.858 3.490 11.580 1.00 75.22 H new ATOM 0 HG2 GLU A 27 17.520 2.341 13.606 1.00 42.41 H new ATOM 0 HG3 GLU A 27 18.564 1.252 12.714 1.00 42.41 H new ATOM 585 N ASN A 38 12.822 -9.813 3.260 1.00 55.34 N ATOM 586 CA ASN A 38 11.792 -9.130 2.484 1.00 3.33 C ATOM 587 C ASN A 38 10.836 -8.370 3.399 1.00 23.31 C ATOM 588 O ASN A 38 9.691 -8.103 3.034 1.00 2.54 O ATOM 589 CB ASN A 38 11.012 -10.135 1.635 1.00 25.51 C ATOM 590 CG ASN A 38 10.306 -9.479 0.465 1.00 73.01 C ATOM 591 OD1 ASN A 38 9.086 -9.574 0.329 1.00 32.35 O ATOM 592 ND2 ASN A 38 11.071 -8.808 -0.388 1.00 24.22 N ATOM 0 HA ASN A 38 12.284 -8.414 1.826 1.00 3.33 H new ATOM 0 HB2 ASN A 38 11.695 -10.898 1.262 1.00 25.51 H new ATOM 0 HB3 ASN A 38 10.278 -10.642 2.261 1.00 25.51 H new ATOM 0 HD21 ASN A 38 10.651 -8.346 -1.194 1.00 24.22 H new ATOM 0 HD22 ASN A 38 12.078 -8.755 -0.237 1.00 24.22 H new ATOM 599 N LYS A 39 11.314 -8.025 4.590 1.00 65.03 N ATOM 600 CA LYS A 39 10.505 -7.295 5.558 1.00 53.44 C ATOM 601 C LYS A 39 11.329 -6.217 6.254 1.00 25.12 C ATOM 602 O LYS A 39 12.532 -6.092 6.019 1.00 21.40 O ATOM 603 CB LYS A 39 9.922 -8.257 6.595 1.00 1.34 C ATOM 604 CG LYS A 39 8.966 -9.280 6.007 1.00 12.33 C ATOM 605 CD LYS A 39 9.019 -10.595 6.767 1.00 44.50 C ATOM 606 CE LYS A 39 7.675 -11.306 6.746 1.00 10.51 C ATOM 607 NZ LYS A 39 7.550 -12.289 7.857 1.00 24.21 N ATOM 0 H LYS A 39 12.259 -8.240 4.908 1.00 65.03 H new ATOM 0 HA LYS A 39 9.689 -6.812 5.021 1.00 53.44 H new ATOM 0 HB2 LYS A 39 10.739 -8.780 7.093 1.00 1.34 H new ATOM 0 HB3 LYS A 39 9.400 -7.681 7.359 1.00 1.34 H new ATOM 0 HG2 LYS A 39 7.950 -8.886 6.031 1.00 12.33 H new ATOM 0 HG3 LYS A 39 9.216 -9.453 4.960 1.00 12.33 H new ATOM 0 HD2 LYS A 39 9.780 -11.240 6.327 1.00 44.50 H new ATOM 0 HD3 LYS A 39 9.317 -10.408 7.799 1.00 44.50 H new ATOM 0 HE2 LYS A 39 6.874 -10.571 6.820 1.00 10.51 H new ATOM 0 HE3 LYS A 39 7.550 -11.818 5.792 1.00 10.51 H new ATOM 0 HZ1 LYS A 39 6.682 -12.847 7.731 1.00 24.21 H new ATOM 0 HZ2 LYS A 39 8.374 -12.924 7.853 1.00 24.21 H new ATOM 0 HZ3 LYS A 39 7.507 -11.783 8.765 1.00 24.21 H new ATOM 621 N LEU A 40 10.677 -5.442 7.113 1.00 53.31 N ATOM 622 CA LEU A 40 11.350 -4.375 7.846 1.00 65.24 C ATOM 623 C LEU A 40 11.031 -4.452 9.335 1.00 21.02 C ATOM 624 O LEU A 40 10.038 -5.049 9.752 1.00 4.13 O ATOM 625 CB LEU A 40 10.937 -3.010 7.293 1.00 33.04 C ATOM 626 CG LEU A 40 9.498 -2.899 6.786 1.00 4.04 C ATOM 627 CD1 LEU A 40 8.976 -1.482 6.969 1.00 70.52 C ATOM 628 CD2 LEU A 40 9.414 -3.316 5.325 1.00 22.44 C ATOM 0 H LEU A 40 9.682 -5.532 7.319 1.00 53.31 H new ATOM 0 HA LEU A 40 12.425 -4.501 7.717 1.00 65.24 H new ATOM 0 HB2 LEU A 40 11.085 -2.264 8.074 1.00 33.04 H new ATOM 0 HB3 LEU A 40 11.610 -2.753 6.475 1.00 33.04 H new ATOM 0 HG LEU A 40 8.873 -3.573 7.372 1.00 4.04 H new ATOM 0 HD11 LEU A 40 7.951 -1.422 6.603 1.00 70.52 H new ATOM 0 HD12 LEU A 40 9.000 -1.219 8.027 1.00 70.52 H new ATOM 0 HD13 LEU A 40 9.603 -0.788 6.409 1.00 70.52 H new ATOM 0 HD21 LEU A 40 8.383 -3.231 4.981 1.00 22.44 H new ATOM 0 HD22 LEU A 40 10.052 -2.668 4.724 1.00 22.44 H new ATOM 0 HD23 LEU A 40 9.747 -4.349 5.222 1.00 22.44 H new ATOM 640 N PRO A 41 11.890 -3.832 10.158 1.00 65.15 N ATOM 641 CA PRO A 41 11.719 -3.814 11.613 1.00 5.53 C ATOM 642 C PRO A 41 10.534 -2.957 12.047 1.00 65.40 C ATOM 643 O PRO A 41 10.473 -1.766 11.741 1.00 33.20 O ATOM 644 CB PRO A 41 13.031 -3.206 12.117 1.00 40.32 C ATOM 645 CG PRO A 41 13.530 -2.385 10.978 1.00 12.31 C ATOM 646 CD PRO A 41 13.095 -3.101 9.729 1.00 11.05 C ATOM 0 HA PRO A 41 11.513 -4.807 12.011 1.00 5.53 H new ATOM 0 HB2 PRO A 41 12.869 -2.595 13.005 1.00 40.32 H new ATOM 0 HB3 PRO A 41 13.747 -3.981 12.390 1.00 40.32 H new ATOM 0 HG2 PRO A 41 13.117 -1.377 11.014 1.00 12.31 H new ATOM 0 HG3 PRO A 41 14.615 -2.287 11.014 1.00 12.31 H new ATOM 0 HD2 PRO A 41 12.875 -2.403 8.921 1.00 11.05 H new ATOM 0 HD3 PRO A 41 13.867 -3.778 9.364 1.00 11.05 H new ATOM 654 N ILE A 42 9.597 -3.571 12.761 1.00 72.23 N ATOM 655 CA ILE A 42 8.415 -2.864 13.237 1.00 12.13 C ATOM 656 C ILE A 42 8.307 -2.935 14.757 1.00 41.12 C ATOM 657 O ILE A 42 7.860 -3.939 15.312 1.00 2.20 O ATOM 658 CB ILE A 42 7.127 -3.436 12.615 1.00 23.23 C ATOM 659 CG1 ILE A 42 7.288 -3.582 11.101 1.00 53.23 C ATOM 660 CG2 ILE A 42 5.939 -2.545 12.944 1.00 32.34 C ATOM 661 CD1 ILE A 42 7.589 -2.277 10.397 1.00 60.22 C ATOM 0 H ILE A 42 9.633 -4.556 13.022 1.00 72.23 H new ATOM 0 HA ILE A 42 8.525 -1.824 12.931 1.00 12.13 H new ATOM 0 HB ILE A 42 6.943 -4.423 13.039 1.00 23.23 H new ATOM 0 HG12 ILE A 42 8.091 -4.290 10.896 1.00 53.23 H new ATOM 0 HG13 ILE A 42 6.374 -4.007 10.686 1.00 53.23 H new ATOM 0 HG21 ILE A 42 5.036 -2.962 12.498 1.00 32.34 H new ATOM 0 HG22 ILE A 42 5.816 -2.488 14.025 1.00 32.34 H new ATOM 0 HG23 ILE A 42 6.112 -1.546 12.545 1.00 32.34 H new ATOM 0 HD11 ILE A 42 7.690 -2.456 9.327 1.00 60.22 H new ATOM 0 HD12 ILE A 42 6.775 -1.573 10.572 1.00 60.22 H new ATOM 0 HD13 ILE A 42 8.519 -1.860 10.785 1.00 60.22 H new ATOM 673 N PHE A 43 8.718 -1.862 15.424 1.00 0.23 N ATOM 674 CA PHE A 43 8.667 -1.801 16.880 1.00 21.44 C ATOM 675 C PHE A 43 7.235 -1.602 17.367 1.00 54.03 C ATOM 676 O PHE A 43 6.664 -0.520 17.226 1.00 3.12 O ATOM 677 CB PHE A 43 9.555 -0.667 17.396 1.00 24.44 C ATOM 678 CG PHE A 43 9.760 -0.696 18.884 1.00 2.21 C ATOM 679 CD1 PHE A 43 10.175 -1.856 19.518 1.00 61.15 C ATOM 680 CD2 PHE A 43 9.537 0.438 19.649 1.00 23.31 C ATOM 681 CE1 PHE A 43 10.365 -1.886 20.886 1.00 11.33 C ATOM 682 CE2 PHE A 43 9.726 0.414 21.018 1.00 12.31 C ATOM 683 CZ PHE A 43 10.139 -0.749 21.638 1.00 71.14 C ATOM 0 H PHE A 43 9.090 -1.023 14.980 1.00 0.23 H new ATOM 0 HA PHE A 43 9.036 -2.749 17.271 1.00 21.44 H new ATOM 0 HB2 PHE A 43 10.525 -0.723 16.902 1.00 24.44 H new ATOM 0 HB3 PHE A 43 9.110 0.288 17.117 1.00 24.44 H new ATOM 0 HD1 PHE A 43 10.352 -2.748 18.935 1.00 61.15 H new ATOM 0 HD2 PHE A 43 9.212 1.350 19.170 1.00 23.31 H new ATOM 0 HE1 PHE A 43 10.690 -2.797 21.367 1.00 11.33 H new ATOM 0 HE2 PHE A 43 9.551 1.305 21.603 1.00 12.31 H new ATOM 0 HZ PHE A 43 10.285 -0.770 22.708 1.00 71.14 H new ATOM 693 N PHE A 44 6.659 -2.654 17.939 1.00 54.00 N ATOM 694 CA PHE A 44 5.292 -2.596 18.445 1.00 22.21 C ATOM 695 C PHE A 44 5.228 -1.805 19.748 1.00 31.03 C ATOM 696 O PHE A 44 5.780 -2.220 20.767 1.00 2.14 O ATOM 697 CB PHE A 44 4.747 -4.009 18.666 1.00 43.15 C ATOM 698 CG PHE A 44 3.978 -4.545 17.492 1.00 40.40 C ATOM 699 CD1 PHE A 44 4.631 -5.196 16.458 1.00 31.41 C ATOM 700 CD2 PHE A 44 2.602 -4.397 17.423 1.00 41.11 C ATOM 701 CE1 PHE A 44 3.925 -5.689 15.377 1.00 64.42 C ATOM 702 CE2 PHE A 44 1.891 -4.888 16.344 1.00 22.32 C ATOM 703 CZ PHE A 44 2.554 -5.536 15.320 1.00 32.43 C ATOM 0 H PHE A 44 7.117 -3.557 18.064 1.00 54.00 H new ATOM 0 HA PHE A 44 4.677 -2.089 17.702 1.00 22.21 H new ATOM 0 HB2 PHE A 44 5.578 -4.680 18.883 1.00 43.15 H new ATOM 0 HB3 PHE A 44 4.101 -4.007 19.544 1.00 43.15 H new ATOM 0 HD1 PHE A 44 5.703 -5.320 16.497 1.00 31.41 H new ATOM 0 HD2 PHE A 44 2.079 -3.892 18.222 1.00 41.11 H new ATOM 0 HE1 PHE A 44 4.446 -6.194 14.577 1.00 64.42 H new ATOM 0 HE2 PHE A 44 0.819 -4.765 16.302 1.00 22.32 H new ATOM 0 HZ PHE A 44 2.001 -5.922 14.476 1.00 32.43 H new ATOM 713 N PHE A 45 4.550 -0.663 19.707 1.00 1.31 N ATOM 714 CA PHE A 45 4.414 0.188 20.883 1.00 2.43 C ATOM 715 C PHE A 45 3.352 -0.360 21.832 1.00 52.24 C ATOM 716 O PHE A 45 2.366 -0.955 21.399 1.00 20.53 O ATOM 717 CB PHE A 45 4.054 1.616 20.467 1.00 5.21 C ATOM 718 CG PHE A 45 5.238 2.539 20.405 1.00 62.43 C ATOM 719 CD1 PHE A 45 6.147 2.593 21.450 1.00 55.13 C ATOM 720 CD2 PHE A 45 5.443 3.351 19.301 1.00 30.21 C ATOM 721 CE1 PHE A 45 7.236 3.442 21.395 1.00 21.41 C ATOM 722 CE2 PHE A 45 6.531 4.201 19.241 1.00 41.14 C ATOM 723 CZ PHE A 45 7.429 4.246 20.289 1.00 63.33 C ATOM 0 H PHE A 45 4.086 -0.305 18.872 1.00 1.31 H new ATOM 0 HA PHE A 45 5.371 0.199 21.405 1.00 2.43 H new ATOM 0 HB2 PHE A 45 3.572 1.591 19.490 1.00 5.21 H new ATOM 0 HB3 PHE A 45 3.326 2.019 21.171 1.00 5.21 H new ATOM 0 HD1 PHE A 45 6.003 1.965 22.317 1.00 55.13 H new ATOM 0 HD2 PHE A 45 4.744 3.319 18.478 1.00 30.21 H new ATOM 0 HE1 PHE A 45 7.936 3.477 22.217 1.00 21.41 H new ATOM 0 HE2 PHE A 45 6.679 4.829 18.375 1.00 41.14 H new ATOM 0 HZ PHE A 45 8.281 4.909 20.244 1.00 63.33 H new ATOM 733 N GLY A 46 3.561 -0.154 23.128 1.00 24.04 N ATOM 734 CA GLY A 46 2.615 -0.634 24.118 1.00 12.12 C ATOM 735 C GLY A 46 2.962 -2.018 24.629 1.00 30.12 C ATOM 736 O GLY A 46 2.779 -2.317 25.810 1.00 73.13 O ATOM 0 H GLY A 46 4.369 0.337 23.511 1.00 24.04 H new ATOM 0 HA2 GLY A 46 2.586 0.063 24.956 1.00 12.12 H new ATOM 0 HA3 GLY A 46 1.616 -0.651 23.683 1.00 12.12 H new ATOM 740 N THR A 47 3.464 -2.868 23.738 1.00 10.32 N ATOM 741 CA THR A 47 3.835 -4.229 24.104 1.00 12.34 C ATOM 742 C THR A 47 5.340 -4.440 23.983 1.00 74.00 C ATOM 743 O THR A 47 5.854 -5.513 24.302 1.00 53.33 O ATOM 744 CB THR A 47 3.110 -5.265 23.225 1.00 52.54 C ATOM 745 OG1 THR A 47 3.580 -5.176 21.875 1.00 21.00 O ATOM 746 CG2 THR A 47 1.605 -5.044 23.258 1.00 71.20 C ATOM 0 H THR A 47 3.623 -2.637 22.757 1.00 10.32 H new ATOM 0 HA THR A 47 3.533 -4.370 25.142 1.00 12.34 H new ATOM 0 HB THR A 47 3.325 -6.258 23.620 1.00 52.54 H new ATOM 0 HG1 THR A 47 2.863 -5.438 21.261 1.00 21.00 H new ATOM 0 HG21 THR A 47 1.114 -5.787 22.630 1.00 71.20 H new ATOM 0 HG22 THR A 47 1.246 -5.140 24.283 1.00 71.20 H new ATOM 0 HG23 THR A 47 1.376 -4.046 22.885 1.00 71.20 H new ATOM 754 N HIS A 48 6.042 -3.410 23.521 1.00 72.32 N ATOM 755 CA HIS A 48 7.490 -3.483 23.359 1.00 74.53 C ATOM 756 C HIS A 48 7.884 -4.711 22.543 1.00 75.12 C ATOM 757 O HIS A 48 8.928 -5.316 22.781 1.00 43.15 O ATOM 758 CB HIS A 48 8.176 -3.523 24.725 1.00 55.14 C ATOM 759 CG HIS A 48 8.201 -2.197 25.421 1.00 50.15 C ATOM 760 ND1 HIS A 48 8.339 -0.999 24.752 1.00 11.32 N ATOM 761 CD2 HIS A 48 8.103 -1.884 26.734 1.00 63.31 C ATOM 762 CE1 HIS A 48 8.327 -0.007 25.624 1.00 12.44 C ATOM 763 NE2 HIS A 48 8.184 -0.517 26.834 1.00 25.22 N ATOM 0 H HIS A 48 5.632 -2.515 23.252 1.00 72.32 H new ATOM 0 HA HIS A 48 7.816 -2.592 22.823 1.00 74.53 H new ATOM 0 HB2 HIS A 48 7.664 -4.247 25.359 1.00 55.14 H new ATOM 0 HB3 HIS A 48 9.199 -3.877 24.599 1.00 55.14 H new ATOM 0 HD2 HIS A 48 7.983 -2.580 27.551 1.00 63.31 H new ATOM 0 HE1 HIS A 48 8.419 1.043 25.388 1.00 12.44 H new ATOM 0 HE2 HIS A 48 8.141 0.018 27.702 1.00 25.22 H new ATOM 771 N GLU A 49 7.039 -5.073 21.582 1.00 45.35 N ATOM 772 CA GLU A 49 7.300 -6.229 20.732 1.00 20.24 C ATOM 773 C GLU A 49 7.941 -5.803 19.415 1.00 62.32 C ATOM 774 O GLU A 49 8.110 -4.613 19.149 1.00 53.24 O ATOM 775 CB GLU A 49 6.002 -6.991 20.458 1.00 53.02 C ATOM 776 CG GLU A 49 5.314 -7.496 21.715 1.00 4.44 C ATOM 777 CD GLU A 49 3.928 -8.045 21.442 1.00 72.11 C ATOM 778 OE1 GLU A 49 3.395 -7.788 20.342 1.00 14.33 O ATOM 779 OE2 GLU A 49 3.376 -8.732 22.327 1.00 40.12 O ATOM 0 H GLU A 49 6.169 -4.583 21.373 1.00 45.35 H new ATOM 0 HA GLU A 49 7.994 -6.885 21.257 1.00 20.24 H new ATOM 0 HB2 GLU A 49 5.316 -6.340 19.916 1.00 53.02 H new ATOM 0 HB3 GLU A 49 6.219 -7.838 19.808 1.00 53.02 H new ATOM 0 HG2 GLU A 49 5.925 -8.274 22.171 1.00 4.44 H new ATOM 0 HG3 GLU A 49 5.243 -6.683 22.437 1.00 4.44 H new ATOM 786 N THR A 50 8.298 -6.785 18.592 1.00 30.14 N ATOM 787 CA THR A 50 8.922 -6.514 17.304 1.00 40.24 C ATOM 788 C THR A 50 8.595 -7.607 16.293 1.00 21.43 C ATOM 789 O THR A 50 8.848 -8.787 16.537 1.00 1.34 O ATOM 790 CB THR A 50 10.452 -6.392 17.435 1.00 70.43 C ATOM 791 OG1 THR A 50 11.061 -6.459 16.141 1.00 64.23 O ATOM 792 CG2 THR A 50 11.008 -7.497 18.321 1.00 45.15 C ATOM 0 H THR A 50 8.165 -7.776 18.796 1.00 30.14 H new ATOM 0 HA THR A 50 8.518 -5.565 16.951 1.00 40.24 H new ATOM 0 HB THR A 50 10.681 -5.430 17.894 1.00 70.43 H new ATOM 0 HG1 THR A 50 12.033 -6.379 16.233 1.00 64.23 H new ATOM 0 HG21 THR A 50 12.090 -7.391 18.399 1.00 45.15 H new ATOM 0 HG22 THR A 50 10.564 -7.426 19.314 1.00 45.15 H new ATOM 0 HG23 THR A 50 10.769 -8.467 17.886 1.00 45.15 H new ATOM 800 N ALA A 51 8.032 -7.208 15.158 1.00 62.35 N ATOM 801 CA ALA A 51 7.673 -8.155 14.109 1.00 44.12 C ATOM 802 C ALA A 51 8.144 -7.666 12.743 1.00 0.23 C ATOM 803 O ALA A 51 8.038 -6.481 12.427 1.00 54.24 O ATOM 804 CB ALA A 51 6.170 -8.387 14.099 1.00 14.30 C ATOM 0 H ALA A 51 7.814 -6.235 14.941 1.00 62.35 H new ATOM 0 HA ALA A 51 8.174 -9.100 14.320 1.00 44.12 H new ATOM 0 HB1 ALA A 51 5.917 -9.096 13.311 1.00 14.30 H new ATOM 0 HB2 ALA A 51 5.857 -8.789 15.063 1.00 14.30 H new ATOM 0 HB3 ALA A 51 5.657 -7.443 13.916 1.00 14.30 H new ATOM 810 N PHE A 52 8.665 -8.585 11.938 1.00 24.50 N ATOM 811 CA PHE A 52 9.154 -8.247 10.606 1.00 23.15 C ATOM 812 C PHE A 52 8.043 -8.378 9.569 1.00 34.05 C ATOM 813 O PHE A 52 7.634 -9.485 9.217 1.00 35.23 O ATOM 814 CB PHE A 52 10.330 -9.150 10.227 1.00 10.21 C ATOM 815 CG PHE A 52 11.615 -8.778 10.909 1.00 25.32 C ATOM 816 CD1 PHE A 52 12.096 -7.480 10.851 1.00 62.23 C ATOM 817 CD2 PHE A 52 12.343 -9.727 11.609 1.00 65.55 C ATOM 818 CE1 PHE A 52 13.279 -7.135 11.478 1.00 53.23 C ATOM 819 CE2 PHE A 52 13.526 -9.388 12.238 1.00 42.02 C ATOM 820 CZ PHE A 52 13.995 -8.090 12.171 1.00 21.42 C ATOM 0 H PHE A 52 8.760 -9.570 12.184 1.00 24.50 H new ATOM 0 HA PHE A 52 9.491 -7.211 10.622 1.00 23.15 H new ATOM 0 HB2 PHE A 52 10.081 -10.181 10.476 1.00 10.21 H new ATOM 0 HB3 PHE A 52 10.476 -9.109 9.148 1.00 10.21 H new ATOM 0 HD1 PHE A 52 11.540 -6.729 10.310 1.00 62.23 H new ATOM 0 HD2 PHE A 52 11.982 -10.743 11.664 1.00 65.55 H new ATOM 0 HE1 PHE A 52 13.642 -6.119 11.426 1.00 53.23 H new ATOM 0 HE2 PHE A 52 14.083 -10.137 12.781 1.00 42.02 H new ATOM 0 HZ PHE A 52 14.920 -7.823 12.660 1.00 21.42 H new ATOM 830 N LEU A 53 7.557 -7.240 9.085 1.00 64.55 N ATOM 831 CA LEU A 53 6.492 -7.226 8.088 1.00 63.22 C ATOM 832 C LEU A 53 6.842 -6.297 6.930 1.00 1.52 C ATOM 833 O LEU A 53 7.213 -5.142 7.138 1.00 25.21 O ATOM 834 CB LEU A 53 5.174 -6.788 8.728 1.00 73.41 C ATOM 835 CG LEU A 53 4.818 -7.456 10.057 1.00 65.32 C ATOM 836 CD1 LEU A 53 3.699 -6.698 10.753 1.00 72.23 C ATOM 837 CD2 LEU A 53 4.424 -8.909 9.835 1.00 73.13 C ATOM 0 H LEU A 53 7.883 -6.316 9.367 1.00 64.55 H new ATOM 0 HA LEU A 53 6.381 -8.237 7.697 1.00 63.22 H new ATOM 0 HB2 LEU A 53 5.210 -5.710 8.884 1.00 73.41 H new ATOM 0 HB3 LEU A 53 4.368 -6.981 8.020 1.00 73.41 H new ATOM 0 HG LEU A 53 5.698 -7.434 10.700 1.00 65.32 H new ATOM 0 HD11 LEU A 53 3.460 -7.188 11.697 1.00 72.23 H new ATOM 0 HD12 LEU A 53 4.019 -5.674 10.947 1.00 72.23 H new ATOM 0 HD13 LEU A 53 2.815 -6.687 10.115 1.00 72.23 H new ATOM 0 HD21 LEU A 53 4.174 -9.368 10.791 1.00 73.13 H new ATOM 0 HD22 LEU A 53 3.559 -8.954 9.173 1.00 73.13 H new ATOM 0 HD23 LEU A 53 5.257 -9.446 9.381 1.00 73.13 H new ATOM 849 N GLY A 54 6.719 -6.808 5.709 1.00 54.30 N ATOM 850 CA GLY A 54 7.023 -6.009 4.536 1.00 24.22 C ATOM 851 C GLY A 54 6.218 -4.726 4.483 1.00 74.42 C ATOM 852 O GLY A 54 5.431 -4.425 5.380 1.00 14.42 O ATOM 0 H GLY A 54 6.414 -7.761 5.511 1.00 54.30 H new ATOM 0 HA2 GLY A 54 8.086 -5.768 4.530 1.00 24.22 H new ATOM 0 HA3 GLY A 54 6.825 -6.596 3.639 1.00 24.22 H new ATOM 856 N PRO A 55 6.412 -3.945 3.410 1.00 21.10 N ATOM 857 CA PRO A 55 5.707 -2.674 3.218 1.00 21.30 C ATOM 858 C PRO A 55 4.224 -2.873 2.927 1.00 55.34 C ATOM 859 O PRO A 55 3.374 -2.160 3.462 1.00 21.22 O ATOM 860 CB PRO A 55 6.412 -2.057 2.008 1.00 51.04 C ATOM 861 CG PRO A 55 6.971 -3.219 1.262 1.00 43.13 C ATOM 862 CD PRO A 55 7.335 -4.242 2.302 1.00 72.44 C ATOM 0 HA PRO A 55 5.740 -2.050 4.111 1.00 21.30 H new ATOM 0 HB2 PRO A 55 5.716 -1.489 1.391 1.00 51.04 H new ATOM 0 HB3 PRO A 55 7.199 -1.369 2.317 1.00 51.04 H new ATOM 0 HG2 PRO A 55 6.240 -3.620 0.559 1.00 43.13 H new ATOM 0 HG3 PRO A 55 7.845 -2.926 0.680 1.00 43.13 H new ATOM 0 HD2 PRO A 55 7.203 -5.258 1.930 1.00 72.44 H new ATOM 0 HD3 PRO A 55 8.376 -4.149 2.610 1.00 72.44 H new ATOM 870 N LYS A 56 3.918 -3.845 2.075 1.00 74.32 N ATOM 871 CA LYS A 56 2.536 -4.140 1.713 1.00 41.42 C ATOM 872 C LYS A 56 1.752 -4.643 2.921 1.00 44.32 C ATOM 873 O LYS A 56 0.522 -4.683 2.902 1.00 41.15 O ATOM 874 CB LYS A 56 2.492 -5.182 0.593 1.00 54.53 C ATOM 875 CG LYS A 56 3.469 -4.903 -0.536 1.00 61.21 C ATOM 876 CD LYS A 56 3.111 -5.685 -1.789 1.00 41.30 C ATOM 877 CE LYS A 56 4.350 -6.042 -2.596 1.00 52.32 C ATOM 878 NZ LYS A 56 4.945 -7.334 -2.156 1.00 44.40 N ATOM 0 H LYS A 56 4.609 -4.443 1.622 1.00 74.32 H new ATOM 0 HA LYS A 56 2.074 -3.217 1.361 1.00 41.42 H new ATOM 0 HB2 LYS A 56 2.707 -6.164 1.014 1.00 54.53 H new ATOM 0 HB3 LYS A 56 1.482 -5.223 0.186 1.00 54.53 H new ATOM 0 HG2 LYS A 56 3.472 -3.836 -0.760 1.00 61.21 H new ATOM 0 HG3 LYS A 56 4.478 -5.165 -0.218 1.00 61.21 H new ATOM 0 HD2 LYS A 56 2.581 -6.596 -1.512 1.00 41.30 H new ATOM 0 HD3 LYS A 56 2.431 -5.096 -2.405 1.00 41.30 H new ATOM 0 HE2 LYS A 56 4.090 -6.103 -3.653 1.00 52.32 H new ATOM 0 HE3 LYS A 56 5.090 -5.248 -2.495 1.00 52.32 H new ATOM 0 HZ1 LYS A 56 5.787 -7.542 -2.730 1.00 44.40 H new ATOM 0 HZ2 LYS A 56 5.217 -7.268 -1.154 1.00 44.40 H new ATOM 0 HZ3 LYS A 56 4.248 -8.096 -2.276 1.00 44.40 H new ATOM 892 N ASP A 57 2.472 -5.024 3.970 1.00 3.32 N ATOM 893 CA ASP A 57 1.844 -5.522 5.188 1.00 11.44 C ATOM 894 C ASP A 57 1.574 -4.382 6.165 1.00 15.34 C ATOM 895 O ASP A 57 0.659 -4.459 6.986 1.00 13.31 O ATOM 896 CB ASP A 57 2.731 -6.578 5.850 1.00 14.42 C ATOM 897 CG ASP A 57 2.457 -7.974 5.326 1.00 3.24 C ATOM 898 OD1 ASP A 57 2.209 -8.114 4.110 1.00 1.33 O ATOM 899 OD2 ASP A 57 2.493 -8.927 6.132 1.00 14.24 O ATOM 0 H ASP A 57 3.491 -4.998 4.001 1.00 3.32 H new ATOM 0 HA ASP A 57 0.892 -5.977 4.916 1.00 11.44 H new ATOM 0 HB2 ASP A 57 3.778 -6.328 5.679 1.00 14.42 H new ATOM 0 HB3 ASP A 57 2.570 -6.559 6.928 1.00 14.42 H new ATOM 904 N ILE A 58 2.375 -3.326 6.072 1.00 64.42 N ATOM 905 CA ILE A 58 2.222 -2.171 6.947 1.00 22.23 C ATOM 906 C ILE A 58 1.449 -1.054 6.254 1.00 63.42 C ATOM 907 O ILE A 58 1.707 -0.735 5.093 1.00 12.31 O ATOM 908 CB ILE A 58 3.588 -1.627 7.406 1.00 41.05 C ATOM 909 CG1 ILE A 58 4.481 -1.345 6.196 1.00 62.04 C ATOM 910 CG2 ILE A 58 4.261 -2.612 8.349 1.00 22.24 C ATOM 911 CD1 ILE A 58 5.801 -0.699 6.556 1.00 73.11 C ATOM 0 H ILE A 58 3.137 -3.247 5.399 1.00 64.42 H new ATOM 0 HA ILE A 58 1.663 -2.509 7.820 1.00 22.23 H new ATOM 0 HB ILE A 58 3.428 -0.692 7.943 1.00 41.05 H new ATOM 0 HG12 ILE A 58 4.675 -2.281 5.672 1.00 62.04 H new ATOM 0 HG13 ILE A 58 3.945 -0.696 5.503 1.00 62.04 H new ATOM 0 HG21 ILE A 58 5.225 -2.213 8.664 1.00 22.24 H new ATOM 0 HG22 ILE A 58 3.629 -2.768 9.223 1.00 22.24 H new ATOM 0 HG23 ILE A 58 4.412 -3.562 7.836 1.00 22.24 H new ATOM 0 HD11 ILE A 58 6.382 -0.528 5.650 1.00 73.11 H new ATOM 0 HD12 ILE A 58 5.616 0.253 7.053 1.00 73.11 H new ATOM 0 HD13 ILE A 58 6.357 -1.356 7.225 1.00 73.11 H new ATOM 923 N PHE A 59 0.502 -0.463 6.974 1.00 54.15 N ATOM 924 CA PHE A 59 -0.309 0.620 6.428 1.00 61.30 C ATOM 925 C PHE A 59 -0.103 1.907 7.221 1.00 24.34 C ATOM 926 O PHE A 59 0.387 1.898 8.351 1.00 35.32 O ATOM 927 CB PHE A 59 -1.789 0.232 6.439 1.00 51.31 C ATOM 928 CG PHE A 59 -2.271 -0.330 5.132 1.00 32.13 C ATOM 929 CD1 PHE A 59 -1.829 -1.566 4.689 1.00 4.04 C ATOM 930 CD2 PHE A 59 -3.167 0.378 4.347 1.00 63.43 C ATOM 931 CE1 PHE A 59 -2.271 -2.087 3.488 1.00 44.44 C ATOM 932 CE2 PHE A 59 -3.612 -0.138 3.144 1.00 35.04 C ATOM 933 CZ PHE A 59 -3.163 -1.371 2.714 1.00 61.03 C ATOM 0 H PHE A 59 0.277 -0.715 7.936 1.00 54.15 H new ATOM 0 HA PHE A 59 0.007 0.794 5.399 1.00 61.30 H new ATOM 0 HB2 PHE A 59 -1.958 -0.503 7.226 1.00 51.31 H new ATOM 0 HB3 PHE A 59 -2.385 1.110 6.690 1.00 51.31 H new ATOM 0 HD1 PHE A 59 -1.130 -2.129 5.290 1.00 4.04 H new ATOM 0 HD2 PHE A 59 -3.521 1.343 4.678 1.00 63.43 H new ATOM 0 HE1 PHE A 59 -1.920 -3.052 3.155 1.00 44.44 H new ATOM 0 HE2 PHE A 59 -4.310 0.423 2.541 1.00 35.04 H new ATOM 0 HZ PHE A 59 -3.509 -1.775 1.774 1.00 61.03 H new ATOM 943 N PRO A 60 -0.484 3.042 6.616 1.00 25.44 N ATOM 944 CA PRO A 60 -0.350 4.358 7.247 1.00 13.13 C ATOM 945 C PRO A 60 -1.314 4.542 8.415 1.00 61.42 C ATOM 946 O PRO A 60 -2.506 4.256 8.299 1.00 10.21 O ATOM 947 CB PRO A 60 -0.691 5.330 6.115 1.00 50.11 C ATOM 948 CG PRO A 60 -1.561 4.548 5.193 1.00 61.52 C ATOM 949 CD PRO A 60 -1.074 3.127 5.270 1.00 31.12 C ATOM 0 HA PRO A 60 0.643 4.507 7.671 1.00 13.13 H new ATOM 0 HB2 PRO A 60 -1.207 6.212 6.493 1.00 50.11 H new ATOM 0 HB3 PRO A 60 0.209 5.680 5.609 1.00 50.11 H new ATOM 0 HG2 PRO A 60 -2.607 4.619 5.490 1.00 61.52 H new ATOM 0 HG3 PRO A 60 -1.492 4.929 4.174 1.00 61.52 H new ATOM 0 HD2 PRO A 60 -1.890 2.415 5.143 1.00 31.12 H new ATOM 0 HD3 PRO A 60 -0.339 2.911 4.495 1.00 31.12 H new ATOM 957 N TYR A 61 -0.790 5.020 9.538 1.00 35.31 N ATOM 958 CA TYR A 61 -1.604 5.239 10.728 1.00 55.54 C ATOM 959 C TYR A 61 -2.659 6.313 10.476 1.00 61.15 C ATOM 960 O TYR A 61 -3.613 6.453 11.240 1.00 13.22 O ATOM 961 CB TYR A 61 -0.721 5.644 11.908 1.00 5.54 C ATOM 962 CG TYR A 61 -0.691 7.135 12.160 1.00 53.24 C ATOM 963 CD1 TYR A 61 0.041 7.984 11.338 1.00 72.51 C ATOM 964 CD2 TYR A 61 -1.395 7.695 13.219 1.00 45.22 C ATOM 965 CE1 TYR A 61 0.071 9.346 11.564 1.00 42.11 C ATOM 966 CE2 TYR A 61 -1.371 9.057 13.451 1.00 32.34 C ATOM 967 CZ TYR A 61 -0.637 9.878 12.621 1.00 22.14 C ATOM 968 OH TYR A 61 -0.610 11.234 12.851 1.00 42.54 O ATOM 0 H TYR A 61 0.194 5.263 9.649 1.00 35.31 H new ATOM 0 HA TYR A 61 -2.112 4.305 10.967 1.00 55.54 H new ATOM 0 HB2 TYR A 61 -1.076 5.139 12.806 1.00 5.54 H new ATOM 0 HB3 TYR A 61 0.295 5.294 11.727 1.00 5.54 H new ATOM 0 HD1 TYR A 61 0.596 7.571 10.508 1.00 72.51 H new ATOM 0 HD2 TYR A 61 -1.970 7.055 13.872 1.00 45.22 H new ATOM 0 HE1 TYR A 61 0.646 9.991 10.916 1.00 42.11 H new ATOM 0 HE2 TYR A 61 -1.924 9.476 14.278 1.00 32.34 H new ATOM 0 HH TYR A 61 -0.588 11.402 13.816 1.00 42.54 H new ATOM 978 N SER A 62 -2.479 7.068 9.397 1.00 41.13 N ATOM 979 CA SER A 62 -3.412 8.132 9.044 1.00 70.43 C ATOM 980 C SER A 62 -4.758 7.554 8.616 1.00 22.23 C ATOM 981 O SER A 62 -5.771 8.252 8.610 1.00 2.25 O ATOM 982 CB SER A 62 -2.834 8.994 7.920 1.00 72.34 C ATOM 983 OG SER A 62 -3.486 10.250 7.854 1.00 53.03 O ATOM 0 H SER A 62 -1.696 6.963 8.752 1.00 41.13 H new ATOM 0 HA SER A 62 -3.567 8.754 9.926 1.00 70.43 H new ATOM 0 HB2 SER A 62 -1.767 9.143 8.084 1.00 72.34 H new ATOM 0 HB3 SER A 62 -2.941 8.475 6.968 1.00 72.34 H new ATOM 0 HG SER A 62 -3.097 10.783 7.129 1.00 53.03 H new ATOM 989 N GLU A 63 -4.758 6.273 8.259 1.00 14.31 N ATOM 990 CA GLU A 63 -5.979 5.601 7.829 1.00 11.43 C ATOM 991 C GLU A 63 -6.640 4.874 8.997 1.00 64.33 C ATOM 992 O GLU A 63 -7.865 4.811 9.090 1.00 44.15 O ATOM 993 CB GLU A 63 -5.673 4.611 6.704 1.00 73.11 C ATOM 994 CG GLU A 63 -6.825 4.421 5.731 1.00 63.22 C ATOM 995 CD GLU A 63 -6.947 5.564 4.742 1.00 75.31 C ATOM 996 OE1 GLU A 63 -5.989 6.356 4.628 1.00 13.21 O ATOM 997 OE2 GLU A 63 -8.003 5.665 4.081 1.00 4.13 O ATOM 0 H GLU A 63 -3.928 5.681 8.259 1.00 14.31 H new ATOM 0 HA GLU A 63 -6.669 6.359 7.458 1.00 11.43 H new ATOM 0 HB2 GLU A 63 -4.798 4.957 6.155 1.00 73.11 H new ATOM 0 HB3 GLU A 63 -5.414 3.646 7.141 1.00 73.11 H new ATOM 0 HG2 GLU A 63 -6.685 3.487 5.186 1.00 63.22 H new ATOM 0 HG3 GLU A 63 -7.756 4.328 6.290 1.00 63.22 H new ATOM 1004 N ASN A 64 -5.818 4.324 9.885 1.00 4.41 N ATOM 1005 CA ASN A 64 -6.321 3.600 11.046 1.00 31.32 C ATOM 1006 C ASN A 64 -6.743 4.565 12.149 1.00 0.53 C ATOM 1007 O ASN A 64 -7.775 4.378 12.793 1.00 34.44 O ATOM 1008 CB ASN A 64 -5.255 2.638 11.575 1.00 2.21 C ATOM 1009 CG ASN A 64 -4.864 1.589 10.552 1.00 1.12 C ATOM 1010 OD1 ASN A 64 -4.052 1.845 9.663 1.00 53.53 O ATOM 1011 ND2 ASN A 64 -5.442 0.400 10.674 1.00 24.34 N ATOM 0 H ASN A 64 -4.801 4.366 9.822 1.00 4.41 H new ATOM 0 HA ASN A 64 -7.195 3.028 10.735 1.00 31.32 H new ATOM 0 HB2 ASN A 64 -4.371 3.205 11.867 1.00 2.21 H new ATOM 0 HB3 ASN A 64 -5.628 2.145 12.473 1.00 2.21 H new ATOM 0 HD21 ASN A 64 -5.218 -0.346 10.015 1.00 24.34 H new ATOM 0 HD22 ASN A 64 -6.110 0.232 11.427 1.00 24.34 H new ATOM 1018 N LYS A 65 -5.938 5.601 12.362 1.00 65.42 N ATOM 1019 CA LYS A 65 -6.227 6.598 13.385 1.00 4.31 C ATOM 1020 C LYS A 65 -7.604 7.217 13.168 1.00 22.01 C ATOM 1021 O LYS A 65 -8.240 7.684 14.112 1.00 5.05 O ATOM 1022 CB LYS A 65 -5.157 7.693 13.376 1.00 21.31 C ATOM 1023 CG LYS A 65 -5.295 8.668 12.220 1.00 3.42 C ATOM 1024 CD LYS A 65 -4.253 9.772 12.295 1.00 62.13 C ATOM 1025 CE LYS A 65 -4.756 11.058 11.657 1.00 73.30 C ATOM 1026 NZ LYS A 65 -4.888 10.929 10.179 1.00 15.13 N ATOM 0 H LYS A 65 -5.079 5.772 11.839 1.00 65.42 H new ATOM 0 HA LYS A 65 -6.221 6.100 14.354 1.00 4.31 H new ATOM 0 HB2 LYS A 65 -5.207 8.246 14.314 1.00 21.31 H new ATOM 0 HB3 LYS A 65 -4.173 7.227 13.332 1.00 21.31 H new ATOM 0 HG2 LYS A 65 -5.192 8.132 11.276 1.00 3.42 H new ATOM 0 HG3 LYS A 65 -6.293 9.107 12.230 1.00 3.42 H new ATOM 0 HD2 LYS A 65 -3.994 9.959 13.337 1.00 62.13 H new ATOM 0 HD3 LYS A 65 -3.341 9.448 11.793 1.00 62.13 H new ATOM 0 HE2 LYS A 65 -5.722 11.323 12.086 1.00 73.30 H new ATOM 0 HE3 LYS A 65 -4.070 11.872 11.891 1.00 73.30 H new ATOM 0 HZ1 LYS A 65 -5.374 11.766 9.799 1.00 15.13 H new ATOM 0 HZ2 LYS A 65 -3.943 10.854 9.751 1.00 15.13 H new ATOM 0 HZ3 LYS A 65 -5.439 10.077 9.953 1.00 15.13 H new ATOM 1040 N GLU A 66 -8.058 7.215 11.919 1.00 54.11 N ATOM 1041 CA GLU A 66 -9.361 7.776 11.580 1.00 50.01 C ATOM 1042 C GLU A 66 -10.465 6.740 11.767 1.00 32.42 C ATOM 1043 O GLU A 66 -11.644 7.082 11.866 1.00 62.33 O ATOM 1044 CB GLU A 66 -9.362 8.284 10.136 1.00 34.44 C ATOM 1045 CG GLU A 66 -10.575 9.132 9.791 1.00 44.13 C ATOM 1046 CD GLU A 66 -10.284 10.619 9.855 1.00 24.21 C ATOM 1047 OE1 GLU A 66 -9.419 11.089 9.087 1.00 63.53 O ATOM 1048 OE2 GLU A 66 -10.922 11.313 10.675 1.00 63.45 O ATOM 0 H GLU A 66 -7.544 6.832 11.126 1.00 54.11 H new ATOM 0 HA GLU A 66 -9.554 8.612 12.252 1.00 50.01 H new ATOM 0 HB2 GLU A 66 -8.459 8.870 9.965 1.00 34.44 H new ATOM 0 HB3 GLU A 66 -9.321 7.431 9.459 1.00 34.44 H new ATOM 0 HG2 GLU A 66 -10.920 8.876 8.789 1.00 44.13 H new ATOM 0 HG3 GLU A 66 -11.387 8.895 10.478 1.00 44.13 H new ATOM 1055 N LYS A 67 -10.075 5.470 11.815 1.00 11.31 N ATOM 1056 CA LYS A 67 -11.029 4.382 11.991 1.00 15.11 C ATOM 1057 C LYS A 67 -11.522 4.318 13.433 1.00 4.14 C ATOM 1058 O LYS A 67 -12.712 4.483 13.701 1.00 11.12 O ATOM 1059 CB LYS A 67 -10.391 3.048 11.599 1.00 22.22 C ATOM 1060 CG LYS A 67 -10.141 2.908 10.108 1.00 62.14 C ATOM 1061 CD LYS A 67 -11.359 2.355 9.388 1.00 71.45 C ATOM 1062 CE LYS A 67 -11.398 0.835 9.444 1.00 3.13 C ATOM 1063 NZ LYS A 67 -12.717 0.297 9.012 1.00 53.22 N ATOM 0 H LYS A 67 -9.104 5.169 11.734 1.00 11.31 H new ATOM 0 HA LYS A 67 -11.883 4.573 11.342 1.00 15.11 H new ATOM 0 HB2 LYS A 67 -9.445 2.938 12.129 1.00 22.22 H new ATOM 0 HB3 LYS A 67 -11.038 2.235 11.928 1.00 22.22 H new ATOM 0 HG2 LYS A 67 -9.880 3.880 9.689 1.00 62.14 H new ATOM 0 HG3 LYS A 67 -9.289 2.249 9.941 1.00 62.14 H new ATOM 0 HD2 LYS A 67 -12.265 2.760 9.839 1.00 71.45 H new ATOM 0 HD3 LYS A 67 -11.348 2.682 8.348 1.00 71.45 H new ATOM 0 HE2 LYS A 67 -10.613 0.428 8.806 1.00 3.13 H new ATOM 0 HE3 LYS A 67 -11.186 0.504 10.461 1.00 3.13 H new ATOM 0 HZ1 LYS A 67 -12.702 -0.742 9.065 1.00 53.22 H new ATOM 0 HZ2 LYS A 67 -13.463 0.665 9.636 1.00 53.22 H new ATOM 0 HZ3 LYS A 67 -12.908 0.591 8.033 1.00 53.22 H new ATOM 1077 N TYR A 68 -10.599 4.079 14.358 1.00 2.24 N ATOM 1078 CA TYR A 68 -10.939 3.993 15.774 1.00 74.35 C ATOM 1079 C TYR A 68 -9.988 4.837 16.616 1.00 42.05 C ATOM 1080 O TYR A 68 -10.326 5.259 17.721 1.00 71.43 O ATOM 1081 CB TYR A 68 -10.897 2.537 16.242 1.00 55.04 C ATOM 1082 CG TYR A 68 -11.025 1.535 15.116 1.00 14.24 C ATOM 1083 CD1 TYR A 68 -12.274 1.127 14.663 1.00 64.43 C ATOM 1084 CD2 TYR A 68 -9.899 0.996 14.508 1.00 43.42 C ATOM 1085 CE1 TYR A 68 -12.396 0.211 13.635 1.00 24.04 C ATOM 1086 CE2 TYR A 68 -10.011 0.082 13.479 1.00 72.50 C ATOM 1087 CZ TYR A 68 -11.262 -0.308 13.046 1.00 24.35 C ATOM 1088 OH TYR A 68 -11.378 -1.221 12.023 1.00 42.41 O ATOM 0 H TYR A 68 -9.609 3.941 14.153 1.00 2.24 H new ATOM 0 HA TYR A 68 -11.950 4.381 15.903 1.00 74.35 H new ATOM 0 HB2 TYR A 68 -9.960 2.361 16.769 1.00 55.04 H new ATOM 0 HB3 TYR A 68 -11.702 2.371 16.958 1.00 55.04 H new ATOM 0 HD1 TYR A 68 -13.164 1.532 15.122 1.00 64.43 H new ATOM 0 HD2 TYR A 68 -8.918 1.297 14.846 1.00 43.42 H new ATOM 0 HE1 TYR A 68 -13.374 -0.097 13.295 1.00 24.04 H new ATOM 0 HE2 TYR A 68 -9.125 -0.325 13.016 1.00 72.50 H new ATOM 0 HH TYR A 68 -10.485 -1.486 11.718 1.00 42.41 H new ATOM 1098 N GLY A 69 -8.794 5.081 16.083 1.00 60.51 N ATOM 1099 CA GLY A 69 -7.811 5.874 16.797 1.00 22.33 C ATOM 1100 C GLY A 69 -7.154 5.104 17.926 1.00 62.24 C ATOM 1101 O GLY A 69 -6.114 5.512 18.443 1.00 11.25 O ATOM 0 H GLY A 69 -8.491 4.743 15.170 1.00 60.51 H new ATOM 0 HA2 GLY A 69 -7.046 6.213 16.099 1.00 22.33 H new ATOM 0 HA3 GLY A 69 -8.291 6.765 17.201 1.00 22.33 H new ATOM 1105 N LYS A 70 -7.762 3.987 18.310 1.00 63.51 N ATOM 1106 CA LYS A 70 -7.230 3.157 19.385 1.00 75.33 C ATOM 1107 C LYS A 70 -7.574 1.688 19.159 1.00 60.15 C ATOM 1108 O LYS A 70 -8.469 1.347 18.385 1.00 63.24 O ATOM 1109 CB LYS A 70 -7.784 3.619 20.735 1.00 62.23 C ATOM 1110 CG LYS A 70 -8.419 4.998 20.692 1.00 63.02 C ATOM 1111 CD LYS A 70 -8.898 5.434 22.066 1.00 4.33 C ATOM 1112 CE LYS A 70 -10.388 5.188 22.241 1.00 14.31 C ATOM 1113 NZ LYS A 70 -10.900 5.766 23.514 1.00 14.53 N ATOM 0 H LYS A 70 -8.624 3.635 17.893 1.00 63.51 H new ATOM 0 HA LYS A 70 -6.145 3.262 19.389 1.00 75.33 H new ATOM 0 HB2 LYS A 70 -8.525 2.898 21.080 1.00 62.23 H new ATOM 0 HB3 LYS A 70 -6.977 3.623 21.468 1.00 62.23 H new ATOM 0 HG2 LYS A 70 -7.697 5.720 20.311 1.00 63.02 H new ATOM 0 HG3 LYS A 70 -9.259 4.991 19.998 1.00 63.02 H new ATOM 0 HD2 LYS A 70 -8.346 4.892 22.834 1.00 4.33 H new ATOM 0 HD3 LYS A 70 -8.684 6.493 22.208 1.00 4.33 H new ATOM 0 HE2 LYS A 70 -10.929 5.624 21.401 1.00 14.31 H new ATOM 0 HE3 LYS A 70 -10.583 4.116 22.225 1.00 14.31 H new ATOM 0 HZ1 LYS A 70 -11.919 5.577 23.596 1.00 14.53 H new ATOM 0 HZ2 LYS A 70 -10.402 5.332 24.317 1.00 14.53 H new ATOM 0 HZ3 LYS A 70 -10.737 6.793 23.519 1.00 14.53 H new ATOM 1127 N PRO A 71 -6.849 0.796 19.850 1.00 44.31 N ATOM 1128 CA PRO A 71 -7.060 -0.650 19.742 1.00 33.33 C ATOM 1129 C PRO A 71 -8.379 -1.091 20.368 1.00 71.31 C ATOM 1130 O PRO A 71 -8.815 -0.536 21.375 1.00 14.31 O ATOM 1131 CB PRO A 71 -5.878 -1.240 20.515 1.00 31.23 C ATOM 1132 CG PRO A 71 -5.487 -0.175 21.480 1.00 1.23 C ATOM 1133 CD PRO A 71 -5.766 1.132 20.790 1.00 33.24 C ATOM 0 HA PRO A 71 -7.114 -0.978 18.704 1.00 33.33 H new ATOM 0 HB2 PRO A 71 -6.161 -2.157 21.031 1.00 31.23 H new ATOM 0 HB3 PRO A 71 -5.054 -1.491 19.847 1.00 31.23 H new ATOM 0 HG2 PRO A 71 -6.058 -0.258 22.405 1.00 1.23 H new ATOM 0 HG3 PRO A 71 -4.434 -0.258 21.747 1.00 1.23 H new ATOM 0 HD2 PRO A 71 -6.072 1.903 21.497 1.00 33.24 H new ATOM 0 HD3 PRO A 71 -4.885 1.508 20.270 1.00 33.24 H new ATOM 1141 N ASN A 72 -9.009 -2.094 19.764 1.00 11.13 N ATOM 1142 CA ASN A 72 -10.279 -2.609 20.263 1.00 60.40 C ATOM 1143 C ASN A 72 -10.062 -3.850 21.123 1.00 20.45 C ATOM 1144 O ASN A 72 -10.455 -3.888 22.290 1.00 41.43 O ATOM 1145 CB ASN A 72 -11.212 -2.941 19.097 1.00 51.45 C ATOM 1146 CG ASN A 72 -12.367 -1.964 18.985 1.00 61.03 C ATOM 1147 OD1 ASN A 72 -12.594 -1.372 17.929 1.00 22.04 O ATOM 1148 ND2 ASN A 72 -13.103 -1.791 20.076 1.00 33.32 N ATOM 0 H ASN A 72 -8.661 -2.566 18.929 1.00 11.13 H new ATOM 0 HA ASN A 72 -10.739 -1.836 20.879 1.00 60.40 H new ATOM 0 HB2 ASN A 72 -10.643 -2.935 18.167 1.00 51.45 H new ATOM 0 HB3 ASN A 72 -11.604 -3.950 19.225 1.00 51.45 H new ATOM 0 HD21 ASN A 72 -13.893 -1.146 20.061 1.00 33.32 H new ATOM 0 HD22 ASN A 72 -12.878 -2.303 20.929 1.00 33.32 H new ATOM 1155 N LYS A 73 -9.433 -4.865 20.540 1.00 31.34 N ATOM 1156 CA LYS A 73 -9.161 -6.108 21.253 1.00 71.25 C ATOM 1157 C LYS A 73 -7.662 -6.382 21.315 1.00 21.33 C ATOM 1158 O LYS A 73 -7.231 -7.536 21.305 1.00 54.33 O ATOM 1159 CB LYS A 73 -9.876 -7.277 20.571 1.00 30.34 C ATOM 1160 CG LYS A 73 -10.122 -8.460 21.493 1.00 40.35 C ATOM 1161 CD LYS A 73 -11.050 -9.480 20.855 1.00 54.31 C ATOM 1162 CE LYS A 73 -12.510 -9.082 21.015 1.00 3.20 C ATOM 1163 NZ LYS A 73 -13.408 -9.914 20.167 1.00 23.14 N ATOM 0 H LYS A 73 -9.102 -4.851 19.575 1.00 31.34 H new ATOM 0 HA LYS A 73 -9.536 -6.004 22.271 1.00 71.25 H new ATOM 0 HB2 LYS A 73 -10.831 -6.929 20.178 1.00 30.34 H new ATOM 0 HB3 LYS A 73 -9.282 -7.608 19.719 1.00 30.34 H new ATOM 0 HG2 LYS A 73 -9.172 -8.935 21.739 1.00 40.35 H new ATOM 0 HG3 LYS A 73 -10.555 -8.109 22.430 1.00 40.35 H new ATOM 0 HD2 LYS A 73 -10.812 -9.577 19.796 1.00 54.31 H new ATOM 0 HD3 LYS A 73 -10.886 -10.457 21.310 1.00 54.31 H new ATOM 0 HE2 LYS A 73 -12.801 -9.183 22.060 1.00 3.20 H new ATOM 0 HE3 LYS A 73 -12.631 -8.032 20.750 1.00 3.20 H new ATOM 0 HZ1 LYS A 73 -14.394 -9.612 20.305 1.00 23.14 H new ATOM 0 HZ2 LYS A 73 -13.147 -9.798 19.167 1.00 23.14 H new ATOM 0 HZ3 LYS A 73 -13.312 -10.914 20.436 1.00 23.14 H new ATOM 1177 N ARG A 74 -6.872 -5.316 21.382 1.00 51.50 N ATOM 1178 CA ARG A 74 -5.421 -5.442 21.447 1.00 71.02 C ATOM 1179 C ARG A 74 -4.886 -4.890 22.765 1.00 43.03 C ATOM 1180 O ARG A 74 -5.230 -3.780 23.171 1.00 4.21 O ATOM 1181 CB ARG A 74 -4.771 -4.708 20.273 1.00 61.25 C ATOM 1182 CG ARG A 74 -4.982 -5.395 18.933 1.00 10.01 C ATOM 1183 CD ARG A 74 -4.170 -6.676 18.830 1.00 65.22 C ATOM 1184 NE ARG A 74 -2.752 -6.408 18.604 1.00 63.53 N ATOM 1185 CZ ARG A 74 -1.823 -7.357 18.558 1.00 2.04 C ATOM 1186 NH1 ARG A 74 -2.161 -8.629 18.722 1.00 5.43 N ATOM 1187 NH2 ARG A 74 -0.553 -7.034 18.348 1.00 30.32 N ATOM 0 H ARG A 74 -7.212 -4.355 21.393 1.00 51.50 H new ATOM 0 HA ARG A 74 -5.170 -6.501 21.388 1.00 71.02 H new ATOM 0 HB2 ARG A 74 -5.173 -3.696 20.220 1.00 61.25 H new ATOM 0 HB3 ARG A 74 -3.701 -4.616 20.460 1.00 61.25 H new ATOM 0 HG2 ARG A 74 -6.040 -5.622 18.802 1.00 10.01 H new ATOM 0 HG3 ARG A 74 -4.699 -4.718 18.127 1.00 10.01 H new ATOM 0 HD2 ARG A 74 -4.288 -7.255 19.746 1.00 65.22 H new ATOM 0 HD3 ARG A 74 -4.558 -7.287 18.015 1.00 65.22 H new ATOM 0 HE ARG A 74 -2.459 -5.440 18.474 1.00 63.53 H new ATOM 0 HH11 ARG A 74 -3.136 -8.881 18.884 1.00 5.43 H new ATOM 0 HH12 ARG A 74 -1.446 -9.355 18.686 1.00 5.43 H new ATOM 0 HH21 ARG A 74 -0.289 -6.057 18.222 1.00 30.32 H new ATOM 0 HH22 ARG A 74 0.160 -7.763 18.313 1.00 30.32 H new ATOM 1201 N LYS A 75 -4.042 -5.673 23.429 1.00 51.21 N ATOM 1202 CA LYS A 75 -3.458 -5.264 24.700 1.00 4.45 C ATOM 1203 C LYS A 75 -2.507 -4.086 24.509 1.00 72.13 C ATOM 1204 O LYS A 75 -1.771 -4.024 23.525 1.00 25.34 O ATOM 1205 CB LYS A 75 -2.712 -6.435 25.343 1.00 63.31 C ATOM 1206 CG LYS A 75 -3.602 -7.337 26.181 1.00 3.31 C ATOM 1207 CD LYS A 75 -4.522 -8.176 25.311 1.00 32.33 C ATOM 1208 CE LYS A 75 -5.240 -9.242 26.126 1.00 44.04 C ATOM 1209 NZ LYS A 75 -6.402 -9.813 25.390 1.00 23.21 N ATOM 0 H LYS A 75 -3.747 -6.595 23.107 1.00 51.21 H new ATOM 0 HA LYS A 75 -4.268 -4.951 25.359 1.00 4.45 H new ATOM 0 HB2 LYS A 75 -2.242 -7.029 24.560 1.00 63.31 H new ATOM 0 HB3 LYS A 75 -1.911 -6.044 25.971 1.00 63.31 H new ATOM 0 HG2 LYS A 75 -2.983 -7.992 26.795 1.00 3.31 H new ATOM 0 HG3 LYS A 75 -4.198 -6.730 26.863 1.00 3.31 H new ATOM 0 HD2 LYS A 75 -5.255 -7.531 24.827 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -3.943 -8.651 24.519 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -4.541 -10.040 26.377 1.00 44.04 H new ATOM 0 HE3 LYS A 75 -5.582 -8.811 27.067 1.00 44.04 H new ATOM 0 HZ1 LYS A 75 -6.865 -10.535 25.978 1.00 23.21 H new ATOM 0 HZ2 LYS A 75 -7.081 -9.056 25.173 1.00 23.21 H new ATOM 0 HZ3 LYS A 75 -6.073 -10.247 24.504 1.00 23.21 H new ATOM 1223 N GLY A 76 -2.529 -3.153 25.456 1.00 25.53 N ATOM 1224 CA GLY A 76 -1.663 -1.991 25.373 1.00 73.40 C ATOM 1225 C GLY A 76 -2.438 -0.706 25.159 1.00 63.13 C ATOM 1226 O GLY A 76 -1.852 0.373 25.073 1.00 2.43 O ATOM 0 H GLY A 76 -3.131 -3.181 26.279 1.00 25.53 H new ATOM 0 HA2 GLY A 76 -1.078 -1.911 26.289 1.00 73.40 H new ATOM 0 HA3 GLY A 76 -0.956 -2.126 24.555 1.00 73.40 H new ATOM 1230 N PHE A 77 -3.759 -0.821 25.070 1.00 44.11 N ATOM 1231 CA PHE A 77 -4.615 0.341 24.861 1.00 3.13 C ATOM 1232 C PHE A 77 -4.312 1.430 25.886 1.00 14.33 C ATOM 1233 O PHE A 77 -4.202 1.159 27.081 1.00 13.52 O ATOM 1234 CB PHE A 77 -6.088 -0.062 24.948 1.00 31.24 C ATOM 1235 CG PHE A 77 -6.509 -0.504 26.321 1.00 4.41 C ATOM 1236 CD1 PHE A 77 -6.989 0.414 27.242 1.00 64.14 C ATOM 1237 CD2 PHE A 77 -6.423 -1.836 26.691 1.00 34.20 C ATOM 1238 CE1 PHE A 77 -7.377 0.011 28.506 1.00 62.05 C ATOM 1239 CE2 PHE A 77 -6.810 -2.245 27.953 1.00 35.02 C ATOM 1240 CZ PHE A 77 -7.287 -1.320 28.862 1.00 64.20 C ATOM 0 H PHE A 77 -4.260 -1.707 25.139 1.00 44.11 H new ATOM 0 HA PHE A 77 -4.412 0.737 23.866 1.00 3.13 H new ATOM 0 HB2 PHE A 77 -6.706 0.782 24.641 1.00 31.24 H new ATOM 0 HB3 PHE A 77 -6.278 -0.870 24.241 1.00 31.24 H new ATOM 0 HD1 PHE A 77 -7.061 1.456 26.969 1.00 64.14 H new ATOM 0 HD2 PHE A 77 -6.049 -2.563 25.985 1.00 34.20 H new ATOM 0 HE1 PHE A 77 -7.750 0.736 29.214 1.00 62.05 H new ATOM 0 HE2 PHE A 77 -6.740 -3.287 28.229 1.00 35.02 H new ATOM 0 HZ PHE A 77 -7.589 -1.638 29.849 1.00 64.20 H new ATOM 1250 N ASN A 78 -4.179 2.663 25.409 1.00 41.45 N ATOM 1251 CA ASN A 78 -3.888 3.794 26.282 1.00 11.34 C ATOM 1252 C ASN A 78 -2.520 3.637 26.939 1.00 62.15 C ATOM 1253 O ASN A 78 -2.238 4.256 27.964 1.00 31.52 O ATOM 1254 CB ASN A 78 -4.969 3.926 27.357 1.00 53.51 C ATOM 1255 CG ASN A 78 -5.762 5.213 27.224 1.00 21.43 C ATOM 1256 OD1 ASN A 78 -6.992 5.194 27.169 1.00 4.02 O ATOM 1257 ND2 ASN A 78 -5.059 6.338 27.172 1.00 22.12 N ATOM 0 H ASN A 78 -4.268 2.905 24.422 1.00 41.45 H new ATOM 0 HA ASN A 78 -3.877 4.698 25.673 1.00 11.34 H new ATOM 0 HB2 ASN A 78 -5.648 3.076 27.292 1.00 53.51 H new ATOM 0 HB3 ASN A 78 -4.504 3.889 28.342 1.00 53.51 H new ATOM 0 HD21 ASN A 78 -5.537 7.235 27.083 1.00 22.12 H new ATOM 0 HD22 ASN A 78 -4.041 6.306 27.221 1.00 22.12 H new ATOM 1264 N GLU A 79 -1.674 2.805 26.339 1.00 42.24 N ATOM 1265 CA GLU A 79 -0.335 2.567 26.865 1.00 32.23 C ATOM 1266 C GLU A 79 0.726 2.869 25.811 1.00 20.51 C ATOM 1267 O GLU A 79 1.502 1.994 25.428 1.00 52.25 O ATOM 1268 CB GLU A 79 -0.200 1.119 27.341 1.00 74.34 C ATOM 1269 CG GLU A 79 -1.399 0.624 28.133 1.00 4.23 C ATOM 1270 CD GLU A 79 -1.027 -0.437 29.150 1.00 34.45 C ATOM 1271 OE1 GLU A 79 -0.026 -1.150 28.927 1.00 14.42 O ATOM 1272 OE2 GLU A 79 -1.739 -0.555 30.170 1.00 24.34 O ATOM 0 H GLU A 79 -1.892 2.285 25.489 1.00 42.24 H new ATOM 0 HA GLU A 79 -0.181 3.236 27.712 1.00 32.23 H new ATOM 0 HB2 GLU A 79 -0.055 0.473 26.475 1.00 74.34 H new ATOM 0 HB3 GLU A 79 0.694 1.030 27.958 1.00 74.34 H new ATOM 0 HG2 GLU A 79 -1.864 1.466 28.645 1.00 4.23 H new ATOM 0 HG3 GLU A 79 -2.142 0.219 27.446 1.00 4.23 H new ATOM 1279 N GLY A 80 0.753 4.114 25.346 1.00 72.00 N ATOM 1280 CA GLY A 80 1.721 4.510 24.340 1.00 22.42 C ATOM 1281 C GLY A 80 1.068 4.906 23.031 1.00 63.22 C ATOM 1282 O GLY A 80 1.754 5.180 22.045 1.00 55.33 O ATOM 0 H GLY A 80 0.121 4.856 25.648 1.00 72.00 H new ATOM 0 HA2 GLY A 80 2.310 5.347 24.716 1.00 22.42 H new ATOM 0 HA3 GLY A 80 2.413 3.687 24.163 1.00 22.42 H new ATOM 1286 N LEU A 81 -0.260 4.935 23.019 1.00 63.41 N ATOM 1287 CA LEU A 81 -1.006 5.299 21.820 1.00 74.44 C ATOM 1288 C LEU A 81 -0.903 6.796 21.548 1.00 55.03 C ATOM 1289 O LEU A 81 -0.904 7.229 20.395 1.00 33.13 O ATOM 1290 CB LEU A 81 -2.474 4.895 21.967 1.00 55.11 C ATOM 1291 CG LEU A 81 -3.413 5.357 20.851 1.00 3.23 C ATOM 1292 CD1 LEU A 81 -3.686 4.220 19.879 1.00 54.30 C ATOM 1293 CD2 LEU A 81 -4.714 5.888 21.435 1.00 73.54 C ATOM 0 H LEU A 81 -0.842 4.711 23.826 1.00 63.41 H new ATOM 0 HA LEU A 81 -0.571 4.765 20.975 1.00 74.44 H new ATOM 0 HB2 LEU A 81 -2.526 3.808 22.032 1.00 55.11 H new ATOM 0 HB3 LEU A 81 -2.845 5.289 22.913 1.00 55.11 H new ATOM 0 HG LEU A 81 -2.928 6.165 20.304 1.00 3.23 H new ATOM 0 HD11 LEU A 81 -4.356 4.567 19.092 1.00 54.30 H new ATOM 0 HD12 LEU A 81 -2.747 3.887 19.436 1.00 54.30 H new ATOM 0 HD13 LEU A 81 -4.151 3.390 20.411 1.00 54.30 H new ATOM 0 HD21 LEU A 81 -5.370 6.212 20.627 1.00 73.54 H new ATOM 0 HD22 LEU A 81 -5.205 5.100 22.007 1.00 73.54 H new ATOM 0 HD23 LEU A 81 -4.501 6.733 22.090 1.00 73.54 H new ATOM 1305 N TRP A 82 -0.813 7.581 22.615 1.00 20.32 N ATOM 1306 CA TRP A 82 -0.707 9.030 22.491 1.00 0.13 C ATOM 1307 C TRP A 82 0.733 9.449 22.218 1.00 43.21 C ATOM 1308 O TRP A 82 0.988 10.562 21.758 1.00 70.41 O ATOM 1309 CB TRP A 82 -1.216 9.710 23.763 1.00 32.14 C ATOM 1310 CG TRP A 82 -0.834 11.156 23.858 1.00 54.24 C ATOM 1311 CD1 TRP A 82 -1.532 12.222 23.365 1.00 33.23 C ATOM 1312 CD2 TRP A 82 0.337 11.694 24.481 1.00 51.42 C ATOM 1313 NE1 TRP A 82 -0.865 13.390 23.645 1.00 53.21 N ATOM 1314 CE2 TRP A 82 0.284 13.094 24.329 1.00 33.22 C ATOM 1315 CE3 TRP A 82 1.424 11.131 25.154 1.00 62.23 C ATOM 1316 CZ2 TRP A 82 1.277 13.934 24.825 1.00 12.31 C ATOM 1317 CZ3 TRP A 82 2.409 11.966 25.645 1.00 2.21 C ATOM 1318 CH2 TRP A 82 2.330 13.355 25.480 1.00 51.44 C ATOM 0 H TRP A 82 -0.811 7.239 23.576 1.00 20.32 H new ATOM 0 HA TRP A 82 -1.323 9.343 21.648 1.00 0.13 H new ATOM 0 HB2 TRP A 82 -2.302 9.625 23.802 1.00 32.14 H new ATOM 0 HB3 TRP A 82 -0.824 9.180 24.631 1.00 32.14 H new ATOM 0 HD1 TRP A 82 -2.470 12.156 22.834 1.00 33.23 H new ATOM 0 HE1 TRP A 82 -1.175 14.326 23.385 1.00 53.21 H new ATOM 0 HE3 TRP A 82 1.493 10.062 25.288 1.00 62.23 H new ATOM 0 HZ2 TRP A 82 1.219 15.005 24.697 1.00 12.31 H new ATOM 0 HZ3 TRP A 82 3.255 11.541 26.165 1.00 2.21 H new ATOM 0 HH2 TRP A 82 3.115 13.981 25.877 1.00 51.44 H new ATOM 1329 N GLU A 83 1.671 8.551 22.504 1.00 50.31 N ATOM 1330 CA GLU A 83 3.086 8.830 22.288 1.00 11.35 C ATOM 1331 C GLU A 83 3.479 8.562 20.839 1.00 72.34 C ATOM 1332 O GLU A 83 4.490 9.071 20.354 1.00 21.43 O ATOM 1333 CB GLU A 83 3.945 7.980 23.227 1.00 12.30 C ATOM 1334 CG GLU A 83 4.040 8.538 24.637 1.00 4.11 C ATOM 1335 CD GLU A 83 4.871 7.663 25.556 1.00 50.03 C ATOM 1336 OE1 GLU A 83 4.538 6.467 25.696 1.00 43.43 O ATOM 1337 OE2 GLU A 83 5.853 8.173 26.134 1.00 12.23 O ATOM 0 H GLU A 83 1.477 7.625 22.885 1.00 50.31 H new ATOM 0 HA GLU A 83 3.259 9.884 22.503 1.00 11.35 H new ATOM 0 HB2 GLU A 83 3.532 6.972 23.271 1.00 12.30 H new ATOM 0 HB3 GLU A 83 4.949 7.895 22.810 1.00 12.30 H new ATOM 0 HG2 GLU A 83 4.476 9.536 24.600 1.00 4.11 H new ATOM 0 HG3 GLU A 83 3.037 8.643 25.051 1.00 4.11 H new ATOM 1344 N ILE A 84 2.673 7.759 20.152 1.00 34.14 N ATOM 1345 CA ILE A 84 2.935 7.423 18.759 1.00 63.04 C ATOM 1346 C ILE A 84 3.182 8.678 17.928 1.00 74.33 C ATOM 1347 O ILE A 84 3.915 8.646 16.939 1.00 13.12 O ATOM 1348 CB ILE A 84 1.767 6.632 18.140 1.00 2.42 C ATOM 1349 CG1 ILE A 84 2.193 6.008 16.810 1.00 21.30 C ATOM 1350 CG2 ILE A 84 0.560 7.538 17.944 1.00 22.41 C ATOM 1351 CD1 ILE A 84 1.054 5.361 16.054 1.00 53.43 C ATOM 0 H ILE A 84 1.833 7.329 20.538 1.00 34.14 H new ATOM 0 HA ILE A 84 3.830 6.801 18.748 1.00 63.04 H new ATOM 0 HB ILE A 84 1.488 5.830 18.823 1.00 2.42 H new ATOM 0 HG12 ILE A 84 2.643 6.779 16.184 1.00 21.30 H new ATOM 0 HG13 ILE A 84 2.964 5.261 16.999 1.00 21.30 H new ATOM 0 HG21 ILE A 84 -0.257 6.965 17.506 1.00 22.41 H new ATOM 0 HG22 ILE A 84 0.246 7.940 18.908 1.00 22.41 H new ATOM 0 HG23 ILE A 84 0.826 8.359 17.278 1.00 22.41 H new ATOM 0 HD11 ILE A 84 1.429 4.940 15.121 1.00 53.43 H new ATOM 0 HD12 ILE A 84 0.618 4.568 16.661 1.00 53.43 H new ATOM 0 HD13 ILE A 84 0.292 6.109 15.834 1.00 53.43 H new ATOM 1363 N ASP A 85 2.566 9.781 18.337 1.00 53.45 N ATOM 1364 CA ASP A 85 2.720 11.049 17.632 1.00 70.22 C ATOM 1365 C ASP A 85 3.560 12.026 18.448 1.00 32.15 C ATOM 1366 O ASP A 85 4.278 12.856 17.894 1.00 44.14 O ATOM 1367 CB ASP A 85 1.350 11.660 17.333 1.00 44.44 C ATOM 1368 CG ASP A 85 0.918 11.438 15.897 1.00 42.04 C ATOM 1369 OD1 ASP A 85 1.491 12.089 14.998 1.00 74.43 O ATOM 1370 OD2 ASP A 85 0.007 10.614 15.672 1.00 71.12 O ATOM 0 H ASP A 85 1.955 9.823 19.153 1.00 53.45 H new ATOM 0 HA ASP A 85 3.235 10.854 16.691 1.00 70.22 H new ATOM 0 HB2 ASP A 85 0.608 11.227 18.004 1.00 44.44 H new ATOM 0 HB3 ASP A 85 1.380 12.730 17.539 1.00 44.44 H new ATOM 1375 N ASN A 86 3.463 11.921 19.770 1.00 54.11 N ATOM 1376 CA ASN A 86 4.212 12.797 20.663 1.00 22.23 C ATOM 1377 C ASN A 86 5.624 12.264 20.890 1.00 74.34 C ATOM 1378 O ASN A 86 6.604 12.876 20.469 1.00 1.44 O ATOM 1379 CB ASN A 86 3.486 12.935 22.003 1.00 3.11 C ATOM 1380 CG ASN A 86 2.257 13.817 21.906 1.00 55.20 C ATOM 1381 OD1 ASN A 86 2.275 14.976 22.322 1.00 25.42 O ATOM 1382 ND2 ASN A 86 1.179 13.271 21.355 1.00 50.15 N ATOM 0 H ASN A 86 2.873 11.238 20.246 1.00 54.11 H new ATOM 0 HA ASN A 86 4.284 13.778 20.193 1.00 22.23 H new ATOM 0 HB2 ASN A 86 3.194 11.947 22.358 1.00 3.11 H new ATOM 0 HB3 ASN A 86 4.170 13.350 22.743 1.00 3.11 H new ATOM 0 HD21 ASN A 86 0.322 13.816 21.263 1.00 50.15 H new ATOM 0 HD22 ASN A 86 1.208 12.307 21.024 1.00 50.15 H new ATOM 1389 N ASN A 87 5.718 11.118 21.556 1.00 33.32 N ATOM 1390 CA ASN A 87 7.009 10.501 21.839 1.00 50.45 C ATOM 1391 C ASN A 87 7.173 9.201 21.058 1.00 63.11 C ATOM 1392 O ASN A 87 7.067 8.102 21.604 1.00 44.51 O ATOM 1393 CB ASN A 87 7.152 10.231 23.338 1.00 54.03 C ATOM 1394 CG ASN A 87 8.597 10.039 23.756 1.00 74.44 C ATOM 1395 OD1 ASN A 87 9.490 9.944 22.914 1.00 4.13 O ATOM 1396 ND2 ASN A 87 8.832 9.979 25.061 1.00 11.32 N ATOM 0 H ASN A 87 4.915 10.597 21.910 1.00 33.32 H new ATOM 0 HA ASN A 87 7.791 11.193 21.526 1.00 50.45 H new ATOM 0 HB2 ASN A 87 6.723 11.063 23.897 1.00 54.03 H new ATOM 0 HB3 ASN A 87 6.580 9.341 23.600 1.00 54.03 H new ATOM 0 HD21 ASN A 87 9.784 9.849 25.402 1.00 11.32 H new ATOM 0 HD22 ASN A 87 8.060 10.063 25.723 1.00 11.32 H new ATOM 1403 N PRO A 88 7.439 9.326 19.749 1.00 22.12 N ATOM 1404 CA PRO A 88 7.625 8.171 18.865 1.00 3.34 C ATOM 1405 C PRO A 88 8.920 7.421 19.157 1.00 63.21 C ATOM 1406 O PRO A 88 9.142 6.322 18.647 1.00 12.22 O ATOM 1407 CB PRO A 88 7.673 8.797 17.469 1.00 15.23 C ATOM 1408 CG PRO A 88 8.136 10.195 17.696 1.00 23.42 C ATOM 1409 CD PRO A 88 7.579 10.604 19.032 1.00 43.14 C ATOM 0 HA PRO A 88 6.834 7.431 18.988 1.00 3.34 H new ATOM 0 HB2 PRO A 88 8.356 8.255 16.815 1.00 15.23 H new ATOM 0 HB3 PRO A 88 6.693 8.777 16.992 1.00 15.23 H new ATOM 0 HG2 PRO A 88 9.225 10.251 17.693 1.00 23.42 H new ATOM 0 HG3 PRO A 88 7.781 10.857 16.906 1.00 23.42 H new ATOM 0 HD2 PRO A 88 8.249 11.287 19.555 1.00 43.14 H new ATOM 0 HD3 PRO A 88 6.621 11.114 18.929 1.00 43.14 H new ATOM 1417 N LYS A 89 9.774 8.020 19.980 1.00 15.33 N ATOM 1418 CA LYS A 89 11.047 7.408 20.342 1.00 53.51 C ATOM 1419 C LYS A 89 11.168 7.258 21.855 1.00 52.10 C ATOM 1420 O LYS A 89 12.266 7.316 22.409 1.00 71.33 O ATOM 1421 CB LYS A 89 12.209 8.248 19.807 1.00 24.24 C ATOM 1422 CG LYS A 89 12.247 9.660 20.366 1.00 25.30 C ATOM 1423 CD LYS A 89 13.557 10.356 20.034 1.00 73.33 C ATOM 1424 CE LYS A 89 13.599 10.799 18.579 1.00 31.52 C ATOM 1425 NZ LYS A 89 14.449 12.007 18.392 1.00 60.23 N ATOM 0 H LYS A 89 9.607 8.930 20.409 1.00 15.33 H new ATOM 0 HA LYS A 89 11.086 6.416 19.893 1.00 53.51 H new ATOM 0 HB2 LYS A 89 13.148 7.747 20.044 1.00 24.24 H new ATOM 0 HB3 LYS A 89 12.140 8.298 18.720 1.00 24.24 H new ATOM 0 HG2 LYS A 89 11.415 10.236 19.960 1.00 25.30 H new ATOM 0 HG3 LYS A 89 12.115 9.628 21.447 1.00 25.30 H new ATOM 0 HD2 LYS A 89 13.685 11.222 20.683 1.00 73.33 H new ATOM 0 HD3 LYS A 89 14.390 9.682 20.234 1.00 73.33 H new ATOM 0 HE2 LYS A 89 13.983 9.986 17.963 1.00 31.52 H new ATOM 0 HE3 LYS A 89 12.587 11.010 18.234 1.00 31.52 H new ATOM 0 HZ1 LYS A 89 14.452 12.277 17.388 1.00 60.23 H new ATOM 0 HZ2 LYS A 89 14.069 12.791 18.960 1.00 60.23 H new ATOM 0 HZ3 LYS A 89 15.421 11.798 18.697 1.00 60.23 H new ATOM 1439 N VAL A 90 10.033 7.064 22.519 1.00 74.33 N ATOM 1440 CA VAL A 90 10.012 6.902 23.968 1.00 41.25 C ATOM 1441 C VAL A 90 10.869 5.718 24.401 1.00 51.03 C ATOM 1442 O VAL A 90 11.315 5.646 25.546 1.00 33.41 O ATOM 1443 CB VAL A 90 8.577 6.702 24.490 1.00 60.33 C ATOM 1444 CG1 VAL A 90 7.910 5.532 23.783 1.00 71.24 C ATOM 1445 CG2 VAL A 90 8.583 6.491 25.996 1.00 2.43 C ATOM 0 H VAL A 90 9.115 7.015 22.076 1.00 74.33 H new ATOM 0 HA VAL A 90 10.421 7.818 24.395 1.00 41.25 H new ATOM 0 HB VAL A 90 8.002 7.602 24.274 1.00 60.33 H new ATOM 0 HG11 VAL A 90 6.897 5.406 24.165 1.00 71.24 H new ATOM 0 HG12 VAL A 90 7.872 5.728 22.711 1.00 71.24 H new ATOM 0 HG13 VAL A 90 8.482 4.622 23.965 1.00 71.24 H new ATOM 0 HG21 VAL A 90 7.561 6.351 26.348 1.00 2.43 H new ATOM 0 HG22 VAL A 90 9.174 5.607 26.237 1.00 2.43 H new ATOM 0 HG23 VAL A 90 9.019 7.363 26.484 1.00 2.43 H new