USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.9) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.889 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.45 K(o=0.45,f=-0.079) USER MOD Single : A 27 THR OG1 : rot -83:sc= 1.15 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.77) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.42 K(o=-3.4,f=-5.6!) USER MOD Single : A 57 SER OG : rot 170:sc= 0.0167 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -41:sc= 1.16 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.04 USER MOD Single : A 87 MET CE :methyl -155:sc= -1.34 (180deg=-2.46!) USER MOD Single : A 88 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ -158:sc= -0.0189 (180deg=-0.241) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.138 (180deg=-0.195) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.16) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.04) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.008 -4.854 -10.883 1.00 72.34 N ATOM 58 CA GLY A 4 1.905 -5.245 -12.277 1.00 54.43 C ATOM 59 C GLY A 4 0.467 -5.396 -12.732 1.00 35.00 C ATOM 60 O GLY A 4 0.189 -6.070 -13.725 1.00 41.43 O ATOM 0 HA2 GLY A 4 2.403 -4.500 -12.898 1.00 54.43 H new ATOM 0 HA3 GLY A 4 2.431 -6.188 -12.427 1.00 54.43 H new ATOM 64 N LEU A 5 -0.451 -4.770 -12.004 1.00 34.12 N ATOM 65 CA LEU A 5 -1.870 -4.839 -12.337 1.00 31.52 C ATOM 66 C LEU A 5 -2.405 -3.466 -12.729 1.00 71.01 C ATOM 67 O LEU A 5 -1.807 -2.441 -12.405 1.00 4.00 O ATOM 68 CB LEU A 5 -2.666 -5.390 -11.152 1.00 42.00 C ATOM 69 CG LEU A 5 -2.652 -6.910 -10.982 1.00 43.50 C ATOM 70 CD1 LEU A 5 -3.204 -7.591 -12.224 1.00 41.25 C ATOM 71 CD2 LEU A 5 -1.242 -7.400 -10.685 1.00 11.24 C ATOM 0 H LEU A 5 -0.238 -4.209 -11.179 1.00 34.12 H new ATOM 0 HA LEU A 5 -1.986 -5.510 -13.188 1.00 31.52 H new ATOM 0 HB2 LEU A 5 -2.278 -4.939 -10.239 1.00 42.00 H new ATOM 0 HB3 LEU A 5 -3.702 -5.065 -11.253 1.00 42.00 H new ATOM 0 HG LEU A 5 -3.291 -7.168 -10.137 1.00 43.50 H new ATOM 0 HD11 LEU A 5 -3.186 -8.672 -12.085 1.00 41.25 H new ATOM 0 HD12 LEU A 5 -4.230 -7.264 -12.393 1.00 41.25 H new ATOM 0 HD13 LEU A 5 -2.592 -7.326 -13.086 1.00 41.25 H new ATOM 0 HD21 LEU A 5 -1.251 -8.484 -10.567 1.00 11.24 H new ATOM 0 HD22 LEU A 5 -0.582 -7.130 -11.509 1.00 11.24 H new ATOM 0 HD23 LEU A 5 -0.882 -6.938 -9.766 1.00 11.24 H new ATOM 83 N GLU A 6 -3.537 -3.454 -13.427 1.00 24.51 N ATOM 84 CA GLU A 6 -4.152 -2.206 -13.862 1.00 34.33 C ATOM 85 C GLU A 6 -5.527 -2.027 -13.224 1.00 52.12 C ATOM 86 O GLU A 6 -6.312 -2.972 -13.139 1.00 64.42 O ATOM 87 CB GLU A 6 -4.277 -2.177 -15.386 1.00 75.54 C ATOM 88 CG GLU A 6 -4.317 -3.558 -16.020 1.00 54.11 C ATOM 89 CD GLU A 6 -5.503 -4.380 -15.553 1.00 23.21 C ATOM 90 OE1 GLU A 6 -6.643 -3.879 -15.642 1.00 74.42 O ATOM 91 OE2 GLU A 6 -5.290 -5.523 -15.098 1.00 72.40 O ATOM 0 H GLU A 6 -4.046 -4.294 -13.703 1.00 24.51 H new ATOM 0 HA GLU A 6 -3.512 -1.384 -13.542 1.00 34.33 H new ATOM 0 HB2 GLU A 6 -5.183 -1.635 -15.658 1.00 75.54 H new ATOM 0 HB3 GLU A 6 -3.437 -1.620 -15.801 1.00 75.54 H new ATOM 0 HG2 GLU A 6 -4.356 -3.455 -17.104 1.00 54.11 H new ATOM 0 HG3 GLU A 6 -3.395 -4.089 -15.783 1.00 54.11 H new ATOM 98 N ILE A 7 -5.811 -0.808 -12.778 1.00 32.24 N ATOM 99 CA ILE A 7 -7.091 -0.505 -12.149 1.00 4.45 C ATOM 100 C ILE A 7 -7.594 0.874 -12.563 1.00 45.01 C ATOM 101 O ILE A 7 -6.806 1.795 -12.776 1.00 2.21 O ATOM 102 CB ILE A 7 -6.990 -0.562 -10.613 1.00 14.32 C ATOM 103 CG1 ILE A 7 -5.664 0.039 -10.144 1.00 2.33 C ATOM 104 CG2 ILE A 7 -7.130 -1.996 -10.126 1.00 23.31 C ATOM 105 CD1 ILE A 7 -4.538 -0.968 -10.065 1.00 72.20 C ATOM 0 H ILE A 7 -5.173 -0.015 -12.840 1.00 32.24 H new ATOM 0 HA ILE A 7 -7.797 -1.263 -12.488 1.00 4.45 H new ATOM 0 HB ILE A 7 -7.803 0.026 -10.188 1.00 14.32 H new ATOM 0 HG12 ILE A 7 -5.377 0.840 -10.825 1.00 2.33 H new ATOM 0 HG13 ILE A 7 -5.806 0.491 -9.162 1.00 2.33 H new ATOM 0 HG21 ILE A 7 -7.056 -2.020 -9.039 1.00 23.31 H new ATOM 0 HG22 ILE A 7 -8.098 -2.392 -10.433 1.00 23.31 H new ATOM 0 HG23 ILE A 7 -6.336 -2.606 -10.557 1.00 23.31 H new ATOM 0 HD11 ILE A 7 -3.629 -0.471 -9.726 1.00 72.20 H new ATOM 0 HD12 ILE A 7 -4.804 -1.757 -9.362 1.00 72.20 H new ATOM 0 HD13 ILE A 7 -4.368 -1.402 -11.050 1.00 72.20 H new ATOM 117 N ALA A 8 -8.911 1.008 -12.674 1.00 11.40 N ATOM 118 CA ALA A 8 -9.520 2.276 -13.059 1.00 21.40 C ATOM 119 C ALA A 8 -10.518 2.747 -12.007 1.00 75.23 C ATOM 120 O ALA A 8 -11.190 1.937 -11.368 1.00 13.23 O ATOM 121 CB ALA A 8 -10.200 2.144 -14.414 1.00 2.42 C ATOM 0 H ALA A 8 -9.577 0.255 -12.503 1.00 11.40 H new ATOM 0 HA ALA A 8 -8.730 3.024 -13.132 1.00 21.40 H new ATOM 0 HB1 ALA A 8 -10.651 3.098 -14.689 1.00 2.42 H new ATOM 0 HB2 ALA A 8 -9.463 1.861 -15.165 1.00 2.42 H new ATOM 0 HB3 ALA A 8 -10.975 1.379 -14.359 1.00 2.42 H new ATOM 127 N PHE A 9 -10.611 4.061 -11.832 1.00 63.04 N ATOM 128 CA PHE A 9 -11.526 4.640 -10.856 1.00 75.14 C ATOM 129 C PHE A 9 -12.387 5.726 -11.495 1.00 43.34 C ATOM 130 O PHE A 9 -11.895 6.543 -12.274 1.00 32.11 O ATOM 131 CB PHE A 9 -10.746 5.220 -9.675 1.00 53.41 C ATOM 132 CG PHE A 9 -11.621 5.657 -8.535 1.00 54.43 C ATOM 133 CD1 PHE A 9 -12.414 4.741 -7.863 1.00 12.43 C ATOM 134 CD2 PHE A 9 -11.651 6.984 -8.136 1.00 70.22 C ATOM 135 CE1 PHE A 9 -13.221 5.141 -6.814 1.00 41.11 C ATOM 136 CE2 PHE A 9 -12.456 7.389 -7.088 1.00 4.31 C ATOM 137 CZ PHE A 9 -13.241 6.466 -6.425 1.00 43.34 C ATOM 0 H PHE A 9 -10.063 4.745 -12.354 1.00 63.04 H new ATOM 0 HA PHE A 9 -12.181 3.847 -10.495 1.00 75.14 H new ATOM 0 HB2 PHE A 9 -10.039 4.472 -9.314 1.00 53.41 H new ATOM 0 HB3 PHE A 9 -10.160 6.072 -10.020 1.00 53.41 H new ATOM 0 HD1 PHE A 9 -12.402 3.703 -8.162 1.00 12.43 H new ATOM 0 HD2 PHE A 9 -11.038 7.710 -8.650 1.00 70.22 H new ATOM 0 HE1 PHE A 9 -13.836 4.418 -6.299 1.00 41.11 H new ATOM 0 HE2 PHE A 9 -12.471 8.426 -6.788 1.00 4.31 H new ATOM 0 HZ PHE A 9 -13.869 6.780 -5.604 1.00 43.34 H new ATOM 147 N GLN A 10 -13.673 5.728 -11.160 1.00 61.33 N ATOM 148 CA GLN A 10 -14.602 6.712 -11.702 1.00 41.32 C ATOM 149 C GLN A 10 -14.964 7.755 -10.650 1.00 54.32 C ATOM 150 O GLN A 10 -15.227 7.422 -9.494 1.00 1.10 O ATOM 151 CB GLN A 10 -15.869 6.023 -12.212 1.00 23.11 C ATOM 152 CG GLN A 10 -16.812 5.587 -11.103 1.00 32.44 C ATOM 153 CD GLN A 10 -17.796 6.672 -10.713 1.00 33.10 C ATOM 154 OE1 GLN A 10 -17.859 7.082 -9.554 1.00 31.04 O ATOM 155 NE2 GLN A 10 -18.572 7.144 -11.682 1.00 43.01 N ATOM 0 H GLN A 10 -14.095 5.059 -10.516 1.00 61.33 H new ATOM 0 HA GLN A 10 -14.112 7.217 -12.535 1.00 41.32 H new ATOM 0 HB2 GLN A 10 -16.398 6.702 -12.881 1.00 23.11 H new ATOM 0 HB3 GLN A 10 -15.586 5.151 -12.801 1.00 23.11 H new ATOM 0 HG2 GLN A 10 -17.361 4.702 -11.425 1.00 32.44 H new ATOM 0 HG3 GLN A 10 -16.229 5.299 -10.228 1.00 32.44 H new ATOM 0 HE21 GLN A 10 -18.486 6.775 -12.629 1.00 43.01 H new ATOM 0 HE22 GLN A 10 -19.254 7.875 -11.479 1.00 43.01 H new ATOM 164 N THR A 11 -14.977 9.021 -11.058 1.00 60.40 N ATOM 165 CA THR A 11 -15.306 10.113 -10.151 1.00 23.22 C ATOM 166 C THR A 11 -16.179 11.155 -10.839 1.00 51.42 C ATOM 167 O THR A 11 -16.408 11.087 -12.047 1.00 71.11 O ATOM 168 CB THR A 11 -14.035 10.798 -9.613 1.00 53.21 C ATOM 169 OG1 THR A 11 -13.455 11.622 -10.630 1.00 53.34 O ATOM 170 CG2 THR A 11 -13.019 9.766 -9.149 1.00 22.11 C ATOM 0 H THR A 11 -14.763 9.315 -12.011 1.00 60.40 H new ATOM 0 HA THR A 11 -15.856 9.677 -9.317 1.00 23.22 H new ATOM 0 HB THR A 11 -14.316 11.417 -8.761 1.00 53.21 H new ATOM 0 HG1 THR A 11 -12.649 12.055 -10.280 1.00 53.34 H new ATOM 0 HG21 THR A 11 -12.130 10.273 -8.774 1.00 22.11 H new ATOM 0 HG22 THR A 11 -13.453 9.159 -8.354 1.00 22.11 H new ATOM 0 HG23 THR A 11 -12.744 9.124 -9.986 1.00 22.11 H new ATOM 178 N ILE A 12 -16.664 12.120 -10.064 1.00 24.41 N ATOM 179 CA ILE A 12 -17.511 13.178 -10.601 1.00 25.44 C ATOM 180 C ILE A 12 -17.580 14.364 -9.645 1.00 73.10 C ATOM 181 O ILE A 12 -17.067 14.305 -8.528 1.00 55.24 O ATOM 182 CB ILE A 12 -18.938 12.670 -10.876 1.00 53.34 C ATOM 183 CG1 ILE A 12 -19.308 11.561 -9.890 1.00 71.30 C ATOM 184 CG2 ILE A 12 -19.056 12.173 -12.310 1.00 12.44 C ATOM 185 CD1 ILE A 12 -19.239 11.992 -8.442 1.00 24.22 C ATOM 0 H ILE A 12 -16.485 12.191 -9.062 1.00 24.41 H new ATOM 0 HA ILE A 12 -17.061 13.498 -11.541 1.00 25.44 H new ATOM 0 HB ILE A 12 -19.634 13.497 -10.740 1.00 53.34 H new ATOM 0 HG12 ILE A 12 -20.317 11.213 -10.109 1.00 71.30 H new ATOM 0 HG13 ILE A 12 -18.639 10.714 -10.041 1.00 71.30 H new ATOM 0 HG21 ILE A 12 -20.070 11.817 -12.489 1.00 12.44 H new ATOM 0 HG22 ILE A 12 -18.831 12.988 -12.997 1.00 12.44 H new ATOM 0 HG23 ILE A 12 -18.351 11.357 -12.471 1.00 12.44 H new ATOM 0 HD11 ILE A 12 -19.514 11.155 -7.800 1.00 24.22 H new ATOM 0 HD12 ILE A 12 -18.224 12.313 -8.206 1.00 24.22 H new ATOM 0 HD13 ILE A 12 -19.929 12.819 -8.275 1.00 24.22 H new ATOM 237 N ASP A 16 -14.867 13.467 -4.736 1.00 42.41 N ATOM 238 CA ASP A 16 -13.904 12.447 -5.135 1.00 50.33 C ATOM 239 C ASP A 16 -12.632 13.086 -5.684 1.00 23.15 C ATOM 240 O ASP A 16 -11.560 12.483 -5.650 1.00 62.43 O ATOM 241 CB ASP A 16 -14.517 11.520 -6.186 1.00 34.15 C ATOM 242 CG ASP A 16 -15.319 10.393 -5.565 1.00 73.20 C ATOM 243 OD1 ASP A 16 -14.701 9.426 -5.073 1.00 32.54 O ATOM 244 OD2 ASP A 16 -16.565 10.478 -5.571 1.00 1.40 O ATOM 0 HA ASP A 16 -13.645 11.862 -4.252 1.00 50.33 H new ATOM 0 HB2 ASP A 16 -15.162 12.100 -6.846 1.00 34.15 H new ATOM 0 HB3 ASP A 16 -13.723 11.100 -6.804 1.00 34.15 H new ATOM 249 N GLU A 17 -12.759 14.309 -6.188 1.00 54.12 N ATOM 250 CA GLU A 17 -11.619 15.028 -6.745 1.00 75.33 C ATOM 251 C GLU A 17 -10.443 15.020 -5.773 1.00 33.20 C ATOM 252 O GLU A 17 -9.285 14.949 -6.184 1.00 11.53 O ATOM 253 CB GLU A 17 -12.010 16.469 -7.078 1.00 52.13 C ATOM 254 CG GLU A 17 -12.654 17.209 -5.918 1.00 5.14 C ATOM 255 CD GLU A 17 -13.234 18.548 -6.329 1.00 43.22 C ATOM 256 OE1 GLU A 17 -12.471 19.536 -6.373 1.00 11.33 O ATOM 257 OE2 GLU A 17 -14.450 18.608 -6.607 1.00 45.53 O ATOM 0 H GLU A 17 -13.639 14.823 -6.222 1.00 54.12 H new ATOM 0 HA GLU A 17 -11.314 14.521 -7.661 1.00 75.33 H new ATOM 0 HB2 GLU A 17 -11.121 17.013 -7.396 1.00 52.13 H new ATOM 0 HB3 GLU A 17 -12.700 16.464 -7.922 1.00 52.13 H new ATOM 0 HG2 GLU A 17 -13.444 16.591 -5.492 1.00 5.14 H new ATOM 0 HG3 GLU A 17 -11.912 17.364 -5.134 1.00 5.14 H new ATOM 264 N SER A 18 -10.750 15.093 -4.482 1.00 11.03 N ATOM 265 CA SER A 18 -9.719 15.099 -3.450 1.00 73.23 C ATOM 266 C SER A 18 -8.978 13.766 -3.415 1.00 73.43 C ATOM 267 O SER A 18 -7.747 13.726 -3.420 1.00 32.23 O ATOM 268 CB SER A 18 -10.339 15.387 -2.082 1.00 32.34 C ATOM 269 OG SER A 18 -10.658 16.761 -1.945 1.00 75.41 O ATOM 0 H SER A 18 -11.704 15.149 -4.125 1.00 11.03 H new ATOM 0 HA SER A 18 -9.004 15.886 -3.690 1.00 73.23 H new ATOM 0 HB2 SER A 18 -11.240 14.787 -1.954 1.00 32.34 H new ATOM 0 HB3 SER A 18 -9.645 15.092 -1.295 1.00 32.34 H new ATOM 0 HG SER A 18 -11.054 16.918 -1.063 1.00 75.41 H new ATOM 275 N LEU A 19 -9.737 12.675 -3.381 1.00 4.54 N ATOM 276 CA LEU A 19 -9.153 11.339 -3.345 1.00 35.32 C ATOM 277 C LEU A 19 -8.316 11.076 -4.592 1.00 41.54 C ATOM 278 O LEU A 19 -7.293 10.393 -4.534 1.00 53.52 O ATOM 279 CB LEU A 19 -10.255 10.284 -3.225 1.00 25.42 C ATOM 280 CG LEU A 19 -9.785 8.833 -3.114 1.00 24.21 C ATOM 281 CD1 LEU A 19 -9.535 8.245 -4.494 1.00 54.43 C ATOM 282 CD2 LEU A 19 -8.529 8.743 -2.259 1.00 62.23 C ATOM 0 H LEU A 19 -10.757 12.690 -3.378 1.00 4.54 H new ATOM 0 HA LEU A 19 -8.501 11.277 -2.474 1.00 35.32 H new ATOM 0 HB2 LEU A 19 -10.860 10.517 -2.349 1.00 25.42 H new ATOM 0 HB3 LEU A 19 -10.907 10.368 -4.094 1.00 25.42 H new ATOM 0 HG LEU A 19 -10.572 8.253 -2.632 1.00 24.21 H new ATOM 0 HD11 LEU A 19 -9.201 7.212 -4.394 1.00 54.43 H new ATOM 0 HD12 LEU A 19 -10.457 8.274 -5.074 1.00 54.43 H new ATOM 0 HD13 LEU A 19 -8.767 8.827 -5.004 1.00 54.43 H new ATOM 0 HD21 LEU A 19 -8.209 7.703 -2.191 1.00 62.23 H new ATOM 0 HD22 LEU A 19 -7.736 9.338 -2.713 1.00 62.23 H new ATOM 0 HD23 LEU A 19 -8.741 9.123 -1.260 1.00 62.23 H new ATOM 294 N VAL A 20 -8.755 11.626 -5.720 1.00 75.33 N ATOM 295 CA VAL A 20 -8.045 11.454 -6.982 1.00 2.22 C ATOM 296 C VAL A 20 -6.716 12.201 -6.970 1.00 24.34 C ATOM 297 O VAL A 20 -5.661 11.614 -7.213 1.00 15.01 O ATOM 298 CB VAL A 20 -8.888 11.948 -8.172 1.00 44.35 C ATOM 299 CG1 VAL A 20 -8.228 11.567 -9.489 1.00 23.12 C ATOM 300 CG2 VAL A 20 -10.300 11.389 -8.093 1.00 52.41 C ATOM 0 H VAL A 20 -9.599 12.195 -5.785 1.00 75.33 H new ATOM 0 HA VAL A 20 -7.858 10.386 -7.097 1.00 2.22 H new ATOM 0 HB VAL A 20 -8.949 13.035 -8.125 1.00 44.35 H new ATOM 0 HG11 VAL A 20 -8.838 11.924 -10.319 1.00 23.12 H new ATOM 0 HG12 VAL A 20 -7.238 12.021 -9.545 1.00 23.12 H new ATOM 0 HG13 VAL A 20 -8.134 10.483 -9.549 1.00 23.12 H new ATOM 0 HG21 VAL A 20 -10.882 11.748 -8.942 1.00 52.41 H new ATOM 0 HG22 VAL A 20 -10.262 10.300 -8.114 1.00 52.41 H new ATOM 0 HG23 VAL A 20 -10.770 11.717 -7.166 1.00 52.41 H new ATOM 310 N GLN A 21 -6.774 13.497 -6.684 1.00 50.52 N ATOM 311 CA GLN A 21 -5.574 14.324 -6.641 1.00 1.45 C ATOM 312 C GLN A 21 -4.659 13.896 -5.498 1.00 12.33 C ATOM 313 O GLN A 21 -3.449 14.116 -5.543 1.00 32.31 O ATOM 314 CB GLN A 21 -5.950 15.799 -6.483 1.00 73.34 C ATOM 315 CG GLN A 21 -6.532 16.416 -7.745 1.00 31.20 C ATOM 316 CD GLN A 21 -7.141 17.782 -7.499 1.00 42.30 C ATOM 317 OE1 GLN A 21 -7.982 17.950 -6.616 1.00 31.03 O ATOM 318 NE2 GLN A 21 -6.718 18.769 -8.281 1.00 63.40 N ATOM 0 H GLN A 21 -7.639 13.997 -6.479 1.00 50.52 H new ATOM 0 HA GLN A 21 -5.038 14.191 -7.581 1.00 1.45 H new ATOM 0 HB2 GLN A 21 -6.674 15.896 -5.674 1.00 73.34 H new ATOM 0 HB3 GLN A 21 -5.064 16.362 -6.188 1.00 73.34 H new ATOM 0 HG2 GLN A 21 -5.748 16.502 -8.498 1.00 31.20 H new ATOM 0 HG3 GLN A 21 -7.293 15.751 -8.152 1.00 31.20 H new ATOM 0 HE21 GLN A 21 -6.019 18.585 -9.001 1.00 63.40 H new ATOM 0 HE22 GLN A 21 -7.092 19.710 -8.162 1.00 63.40 H new ATOM 327 N ALA A 22 -5.246 13.285 -4.474 1.00 20.10 N ATOM 328 CA ALA A 22 -4.484 12.825 -3.320 1.00 65.31 C ATOM 329 C ALA A 22 -3.784 11.502 -3.616 1.00 52.32 C ATOM 330 O ALA A 22 -2.577 11.367 -3.410 1.00 73.25 O ATOM 331 CB ALA A 22 -5.393 12.683 -2.109 1.00 12.23 C ATOM 0 H ALA A 22 -6.247 13.097 -4.420 1.00 20.10 H new ATOM 0 HA ALA A 22 -3.719 13.570 -3.101 1.00 65.31 H new ATOM 0 HB1 ALA A 22 -4.810 12.339 -1.255 1.00 12.23 H new ATOM 0 HB2 ALA A 22 -5.842 13.648 -1.876 1.00 12.23 H new ATOM 0 HB3 ALA A 22 -6.179 11.960 -2.327 1.00 12.23 H new ATOM 337 N LEU A 23 -4.549 10.529 -4.099 1.00 42.42 N ATOM 338 CA LEU A 23 -4.002 9.216 -4.423 1.00 53.12 C ATOM 339 C LEU A 23 -2.952 9.320 -5.525 1.00 35.11 C ATOM 340 O LEU A 23 -1.976 8.572 -5.538 1.00 24.35 O ATOM 341 CB LEU A 23 -5.122 8.269 -4.858 1.00 31.04 C ATOM 342 CG LEU A 23 -5.491 8.302 -6.341 1.00 55.11 C ATOM 343 CD1 LEU A 23 -4.610 7.348 -7.132 1.00 42.41 C ATOM 344 CD2 LEU A 23 -6.961 7.956 -6.533 1.00 21.04 C ATOM 0 H LEU A 23 -5.549 10.624 -4.275 1.00 42.42 H new ATOM 0 HA LEU A 23 -3.524 8.818 -3.528 1.00 53.12 H new ATOM 0 HB2 LEU A 23 -4.831 7.251 -4.599 1.00 31.04 H new ATOM 0 HB3 LEU A 23 -6.014 8.503 -4.277 1.00 31.04 H new ATOM 0 HG LEU A 23 -5.324 9.312 -6.714 1.00 55.11 H new ATOM 0 HD11 LEU A 23 -4.887 7.385 -8.185 1.00 42.41 H new ATOM 0 HD12 LEU A 23 -3.566 7.641 -7.021 1.00 42.41 H new ATOM 0 HD13 LEU A 23 -4.744 6.333 -6.757 1.00 42.41 H new ATOM 0 HD21 LEU A 23 -7.206 7.984 -7.595 1.00 21.04 H new ATOM 0 HD22 LEU A 23 -7.154 6.957 -6.143 1.00 21.04 H new ATOM 0 HD23 LEU A 23 -7.578 8.679 -5.999 1.00 21.04 H new ATOM 356 N ALA A 24 -3.160 10.254 -6.447 1.00 54.01 N ATOM 357 CA ALA A 24 -2.230 10.459 -7.550 1.00 70.24 C ATOM 358 C ALA A 24 -0.839 10.814 -7.037 1.00 22.44 C ATOM 359 O ALA A 24 0.149 10.176 -7.400 1.00 11.51 O ATOM 360 CB ALA A 24 -2.745 11.548 -8.480 1.00 31.31 C ATOM 0 H ALA A 24 -3.965 10.881 -6.452 1.00 54.01 H new ATOM 0 HA ALA A 24 -2.156 9.525 -8.108 1.00 70.24 H new ATOM 0 HB1 ALA A 24 -2.040 11.690 -9.299 1.00 31.31 H new ATOM 0 HB2 ALA A 24 -3.715 11.254 -8.882 1.00 31.31 H new ATOM 0 HB3 ALA A 24 -2.850 12.481 -7.925 1.00 31.31 H new ATOM 366 N GLY A 25 -0.769 11.836 -6.189 1.00 64.11 N ATOM 367 CA GLY A 25 0.507 12.258 -5.640 1.00 54.01 C ATOM 368 C GLY A 25 1.098 11.233 -4.694 1.00 24.54 C ATOM 369 O GLY A 25 2.308 11.004 -4.692 1.00 30.51 O ATOM 0 H GLY A 25 -1.572 12.379 -5.873 1.00 64.11 H new ATOM 0 HA2 GLY A 25 1.207 12.442 -6.455 1.00 54.01 H new ATOM 0 HA3 GLY A 25 0.377 13.203 -5.112 1.00 54.01 H new ATOM 373 N VAL A 26 0.244 10.614 -3.884 1.00 62.15 N ATOM 374 CA VAL A 26 0.689 9.607 -2.928 1.00 43.50 C ATOM 375 C VAL A 26 1.262 8.387 -3.641 1.00 11.44 C ATOM 376 O VAL A 26 2.368 7.939 -3.337 1.00 31.31 O ATOM 377 CB VAL A 26 -0.462 9.158 -2.009 1.00 53.22 C ATOM 378 CG1 VAL A 26 -0.002 8.043 -1.083 1.00 14.14 C ATOM 379 CG2 VAL A 26 -0.999 10.338 -1.212 1.00 64.32 C ATOM 0 H VAL A 26 -0.760 10.793 -3.871 1.00 62.15 H new ATOM 0 HA VAL A 26 1.468 10.069 -2.322 1.00 43.50 H new ATOM 0 HB VAL A 26 -1.270 8.771 -2.630 1.00 53.22 H new ATOM 0 HG11 VAL A 26 -0.829 7.739 -0.441 1.00 14.14 H new ATOM 0 HG12 VAL A 26 0.329 7.191 -1.676 1.00 14.14 H new ATOM 0 HG13 VAL A 26 0.824 8.399 -0.467 1.00 14.14 H new ATOM 0 HG21 VAL A 26 -1.812 10.002 -0.568 1.00 64.32 H new ATOM 0 HG22 VAL A 26 -0.200 10.757 -0.600 1.00 64.32 H new ATOM 0 HG23 VAL A 26 -1.370 11.101 -1.897 1.00 64.32 H new ATOM 389 N THR A 27 0.502 7.853 -4.592 1.00 11.52 N ATOM 390 CA THR A 27 0.933 6.685 -5.348 1.00 74.51 C ATOM 391 C THR A 27 2.190 6.985 -6.156 1.00 20.02 C ATOM 392 O THR A 27 3.149 6.214 -6.138 1.00 42.24 O ATOM 393 CB THR A 27 -0.172 6.195 -6.303 1.00 33.30 C ATOM 394 OG1 THR A 27 -0.531 7.239 -7.215 1.00 4.35 O ATOM 395 CG2 THR A 27 -1.402 5.750 -5.525 1.00 64.21 C ATOM 0 H THR A 27 -0.416 8.212 -4.857 1.00 11.52 H new ATOM 0 HA THR A 27 1.150 5.902 -4.622 1.00 74.51 H new ATOM 0 HB THR A 27 0.214 5.342 -6.861 1.00 33.30 H new ATOM 0 HG1 THR A 27 -1.172 7.843 -6.785 1.00 4.35 H new ATOM 0 HG21 THR A 27 -2.169 5.408 -6.221 1.00 64.21 H new ATOM 0 HG22 THR A 27 -1.132 4.935 -4.853 1.00 64.21 H new ATOM 0 HG23 THR A 27 -1.787 6.587 -4.943 1.00 64.21 H new ATOM 403 N ALA A 28 2.179 8.110 -6.863 1.00 11.55 N ATOM 404 CA ALA A 28 3.320 8.514 -7.675 1.00 21.23 C ATOM 405 C ALA A 28 4.553 8.753 -6.809 1.00 74.12 C ATOM 406 O ALA A 28 5.672 8.422 -7.201 1.00 53.22 O ATOM 407 CB ALA A 28 2.983 9.764 -8.474 1.00 24.00 C ATOM 0 H ALA A 28 1.392 8.758 -6.890 1.00 11.55 H new ATOM 0 HA ALA A 28 3.547 7.704 -8.368 1.00 21.23 H new ATOM 0 HB1 ALA A 28 3.844 10.054 -9.076 1.00 24.00 H new ATOM 0 HB2 ALA A 28 2.135 9.560 -9.128 1.00 24.00 H new ATOM 0 HB3 ALA A 28 2.728 10.574 -7.791 1.00 24.00 H new ATOM 413 N SER A 29 4.340 9.330 -5.631 1.00 12.11 N ATOM 414 CA SER A 29 5.435 9.618 -4.712 1.00 33.42 C ATOM 415 C SER A 29 5.925 8.341 -4.034 1.00 54.52 C ATOM 416 O SER A 29 7.115 8.189 -3.759 1.00 12.55 O ATOM 417 CB SER A 29 4.989 10.631 -3.655 1.00 61.44 C ATOM 418 OG SER A 29 5.998 10.827 -2.680 1.00 32.04 O ATOM 0 H SER A 29 3.419 9.607 -5.290 1.00 12.11 H new ATOM 0 HA SER A 29 6.258 10.042 -5.287 1.00 33.42 H new ATOM 0 HB2 SER A 29 4.752 11.581 -4.134 1.00 61.44 H new ATOM 0 HB3 SER A 29 4.076 10.281 -3.173 1.00 61.44 H new ATOM 0 HG SER A 29 5.690 11.479 -2.017 1.00 32.04 H new ATOM 424 N ASP A 30 4.998 7.427 -3.769 1.00 2.21 N ATOM 425 CA ASP A 30 5.334 6.163 -3.125 1.00 22.25 C ATOM 426 C ASP A 30 5.883 5.165 -4.139 1.00 64.12 C ATOM 427 O ASP A 30 6.485 4.156 -3.770 1.00 74.23 O ATOM 428 CB ASP A 30 4.104 5.577 -2.429 1.00 50.44 C ATOM 429 CG ASP A 30 3.652 6.415 -1.250 1.00 0.54 C ATOM 430 OD1 ASP A 30 4.274 7.468 -0.996 1.00 45.31 O ATOM 431 OD2 ASP A 30 2.675 6.019 -0.580 1.00 64.03 O ATOM 0 H ASP A 30 4.008 7.538 -3.990 1.00 2.21 H new ATOM 0 HA ASP A 30 6.105 6.358 -2.380 1.00 22.25 H new ATOM 0 HB2 ASP A 30 3.288 5.496 -3.147 1.00 50.44 H new ATOM 0 HB3 ASP A 30 4.330 4.567 -2.088 1.00 50.44 H new ATOM 436 N PHE A 31 5.672 5.453 -5.419 1.00 51.21 N ATOM 437 CA PHE A 31 6.144 4.580 -6.488 1.00 10.15 C ATOM 438 C PHE A 31 7.080 5.331 -7.430 1.00 53.22 C ATOM 439 O PHE A 31 6.822 5.463 -8.627 1.00 30.31 O ATOM 440 CB PHE A 31 4.959 4.013 -7.272 1.00 62.50 C ATOM 441 CG PHE A 31 4.096 3.084 -6.466 1.00 64.13 C ATOM 442 CD1 PHE A 31 4.666 2.149 -5.618 1.00 24.42 C ATOM 443 CD2 PHE A 31 2.715 3.146 -6.558 1.00 2.12 C ATOM 444 CE1 PHE A 31 3.875 1.293 -4.875 1.00 23.24 C ATOM 445 CE2 PHE A 31 1.919 2.293 -5.817 1.00 1.32 C ATOM 446 CZ PHE A 31 2.500 1.365 -4.975 1.00 72.32 C ATOM 0 H PHE A 31 5.177 6.284 -5.742 1.00 51.21 H new ATOM 0 HA PHE A 31 6.697 3.758 -6.035 1.00 10.15 H new ATOM 0 HB2 PHE A 31 4.348 4.838 -7.638 1.00 62.50 H new ATOM 0 HB3 PHE A 31 5.333 3.481 -8.147 1.00 62.50 H new ATOM 0 HD1 PHE A 31 5.741 2.088 -5.536 1.00 24.42 H new ATOM 0 HD2 PHE A 31 2.255 3.869 -7.216 1.00 2.12 H new ATOM 0 HE1 PHE A 31 4.332 0.569 -4.217 1.00 23.24 H new ATOM 0 HE2 PHE A 31 0.844 2.352 -5.896 1.00 1.32 H new ATOM 0 HZ PHE A 31 1.880 0.697 -4.396 1.00 72.32 H new ATOM 501 N ASP A 35 7.664 3.076 -11.316 1.00 31.33 N ATOM 502 CA ASP A 35 7.229 3.609 -12.602 1.00 20.43 C ATOM 503 C ASP A 35 5.716 3.492 -12.755 1.00 33.14 C ATOM 504 O ASP A 35 5.224 2.787 -13.636 1.00 52.15 O ATOM 505 CB ASP A 35 7.928 2.872 -13.746 1.00 10.24 C ATOM 506 CG ASP A 35 9.435 3.035 -13.704 1.00 13.11 C ATOM 507 OD1 ASP A 35 9.917 3.901 -12.944 1.00 65.10 O ATOM 508 OD2 ASP A 35 10.131 2.296 -14.431 1.00 2.25 O ATOM 0 HA ASP A 35 7.499 4.664 -12.640 1.00 20.43 H new ATOM 0 HB2 ASP A 35 7.679 1.812 -13.698 1.00 10.24 H new ATOM 0 HB3 ASP A 35 7.551 3.245 -14.698 1.00 10.24 H new ATOM 513 N ILE A 36 4.984 4.186 -11.890 1.00 14.10 N ATOM 514 CA ILE A 36 3.527 4.160 -11.929 1.00 72.14 C ATOM 515 C ILE A 36 2.996 4.909 -13.147 1.00 63.01 C ATOM 516 O ILE A 36 3.475 5.993 -13.481 1.00 2.14 O ATOM 517 CB ILE A 36 2.918 4.776 -10.656 1.00 50.42 C ATOM 518 CG1 ILE A 36 1.396 4.864 -10.783 1.00 73.22 C ATOM 519 CG2 ILE A 36 3.513 6.152 -10.397 1.00 42.41 C ATOM 520 CD1 ILE A 36 0.686 5.015 -9.456 1.00 23.53 C ATOM 0 H ILE A 36 5.376 4.773 -11.154 1.00 14.10 H new ATOM 0 HA ILE A 36 3.232 3.113 -11.992 1.00 72.14 H new ATOM 0 HB ILE A 36 3.156 4.133 -9.809 1.00 50.42 H new ATOM 0 HG12 ILE A 36 1.141 5.711 -11.420 1.00 73.22 H new ATOM 0 HG13 ILE A 36 1.029 3.967 -11.282 1.00 73.22 H new ATOM 0 HG21 ILE A 36 3.073 6.575 -9.494 1.00 42.41 H new ATOM 0 HG22 ILE A 36 4.592 6.063 -10.268 1.00 42.41 H new ATOM 0 HG23 ILE A 36 3.302 6.805 -11.244 1.00 42.41 H new ATOM 0 HD11 ILE A 36 -0.390 5.071 -9.623 1.00 23.53 H new ATOM 0 HD12 ILE A 36 0.911 4.156 -8.823 1.00 23.53 H new ATOM 0 HD13 ILE A 36 1.025 5.927 -8.964 1.00 23.53 H new ATOM 532 N LYS A 37 2.002 4.325 -13.808 1.00 24.44 N ATOM 533 CA LYS A 37 1.403 4.937 -14.987 1.00 72.12 C ATOM 534 C LYS A 37 -0.061 5.284 -14.735 1.00 40.44 C ATOM 535 O LYS A 37 -0.955 4.484 -15.011 1.00 53.31 O ATOM 536 CB LYS A 37 1.515 3.995 -16.189 1.00 0.54 C ATOM 537 CG LYS A 37 2.889 3.366 -16.342 1.00 51.41 C ATOM 538 CD LYS A 37 3.976 4.422 -16.454 1.00 62.03 C ATOM 539 CE LYS A 37 3.788 5.287 -17.691 1.00 74.01 C ATOM 540 NZ LYS A 37 5.033 6.021 -18.050 1.00 13.04 N ATOM 0 H LYS A 37 1.594 3.427 -13.546 1.00 24.44 H new ATOM 0 HA LYS A 37 1.945 5.858 -15.203 1.00 72.12 H new ATOM 0 HB2 LYS A 37 0.771 3.204 -16.091 1.00 0.54 H new ATOM 0 HB3 LYS A 37 1.274 4.548 -17.097 1.00 0.54 H new ATOM 0 HG2 LYS A 37 3.093 2.722 -15.486 1.00 51.41 H new ATOM 0 HG3 LYS A 37 2.903 2.732 -17.229 1.00 51.41 H new ATOM 0 HD2 LYS A 37 3.966 5.051 -15.564 1.00 62.03 H new ATOM 0 HD3 LYS A 37 4.952 3.938 -16.492 1.00 62.03 H new ATOM 0 HE2 LYS A 37 3.482 4.661 -18.529 1.00 74.01 H new ATOM 0 HE3 LYS A 37 2.983 6.001 -17.516 1.00 74.01 H new ATOM 0 HZ1 LYS A 37 4.863 6.599 -18.898 1.00 13.04 H new ATOM 0 HZ2 LYS A 37 5.312 6.638 -17.261 1.00 13.04 H new ATOM 0 HZ3 LYS A 37 5.795 5.339 -18.242 1.00 13.04 H new ATOM 554 N TYR A 38 -0.298 6.482 -14.212 1.00 31.12 N ATOM 555 CA TYR A 38 -1.654 6.935 -13.922 1.00 64.42 C ATOM 556 C TYR A 38 -1.966 8.230 -14.665 1.00 63.01 C ATOM 557 O TYR A 38 -1.064 8.989 -15.018 1.00 31.04 O ATOM 558 CB TYR A 38 -1.834 7.140 -12.417 1.00 54.43 C ATOM 559 CG TYR A 38 -1.245 8.437 -11.908 1.00 73.53 C ATOM 560 CD1 TYR A 38 0.096 8.521 -11.554 1.00 52.04 C ATOM 561 CD2 TYR A 38 -2.030 9.576 -11.780 1.00 45.22 C ATOM 562 CE1 TYR A 38 0.638 9.703 -11.088 1.00 64.12 C ATOM 563 CE2 TYR A 38 -1.495 10.763 -11.316 1.00 71.44 C ATOM 564 CZ TYR A 38 -0.161 10.821 -10.971 1.00 61.15 C ATOM 565 OH TYR A 38 0.375 12.000 -10.508 1.00 12.53 O ATOM 0 H TYR A 38 0.431 7.157 -13.980 1.00 31.12 H new ATOM 0 HA TYR A 38 -2.348 6.167 -14.263 1.00 64.42 H new ATOM 0 HB2 TYR A 38 -2.898 7.116 -12.180 1.00 54.43 H new ATOM 0 HB3 TYR A 38 -1.371 6.308 -11.887 1.00 54.43 H new ATOM 0 HD1 TYR A 38 0.725 7.648 -11.645 1.00 52.04 H new ATOM 0 HD2 TYR A 38 -3.075 9.533 -12.047 1.00 45.22 H new ATOM 0 HE1 TYR A 38 1.682 9.751 -10.817 1.00 64.12 H new ATOM 0 HE2 TYR A 38 -2.118 11.640 -11.224 1.00 71.44 H new ATOM 0 HH TYR A 38 -0.321 12.690 -10.487 1.00 12.53 H new ATOM 575 N ASN A 39 -3.251 8.475 -14.899 1.00 1.53 N ATOM 576 CA ASN A 39 -3.684 9.679 -15.600 1.00 31.14 C ATOM 577 C ASN A 39 -5.154 9.975 -15.315 1.00 64.45 C ATOM 578 O ASN A 39 -5.923 9.076 -14.972 1.00 42.44 O ATOM 579 CB ASN A 39 -3.465 9.523 -17.106 1.00 15.41 C ATOM 580 CG ASN A 39 -3.810 10.785 -17.873 1.00 43.33 C ATOM 581 OD1 ASN A 39 -4.963 11.004 -18.245 1.00 63.14 O ATOM 582 ND2 ASN A 39 -2.808 11.623 -18.114 1.00 2.10 N ATOM 0 H ASN A 39 -4.010 7.857 -14.614 1.00 1.53 H new ATOM 0 HA ASN A 39 -3.087 10.516 -15.238 1.00 31.14 H new ATOM 0 HB2 ASN A 39 -2.424 9.260 -17.294 1.00 15.41 H new ATOM 0 HB3 ASN A 39 -4.074 8.698 -17.476 1.00 15.41 H new ATOM 0 HD21 ASN A 39 -2.979 12.488 -18.626 1.00 2.10 H new ATOM 0 HD22 ASN A 39 -1.868 11.401 -17.787 1.00 2.10 H new ATOM 589 N ILE A 40 -5.536 11.239 -15.461 1.00 62.23 N ATOM 590 CA ILE A 40 -6.913 11.652 -15.222 1.00 41.32 C ATOM 591 C ILE A 40 -7.489 12.374 -16.436 1.00 2.22 C ATOM 592 O ILE A 40 -6.967 13.403 -16.865 1.00 44.20 O ATOM 593 CB ILE A 40 -7.019 12.574 -13.993 1.00 5.11 C ATOM 594 CG1 ILE A 40 -5.631 12.836 -13.404 1.00 1.01 C ATOM 595 CG2 ILE A 40 -7.936 11.959 -12.947 1.00 33.10 C ATOM 596 CD1 ILE A 40 -5.071 11.662 -12.632 1.00 4.01 C ATOM 0 H ILE A 40 -4.912 11.994 -15.743 1.00 62.23 H new ATOM 0 HA ILE A 40 -7.487 10.744 -15.036 1.00 41.32 H new ATOM 0 HB ILE A 40 -7.446 13.526 -14.307 1.00 5.11 H new ATOM 0 HG12 ILE A 40 -4.945 13.090 -14.212 1.00 1.01 H new ATOM 0 HG13 ILE A 40 -5.683 13.703 -12.745 1.00 1.01 H new ATOM 0 HG21 ILE A 40 -8.001 12.622 -12.085 1.00 33.10 H new ATOM 0 HG22 ILE A 40 -8.930 11.818 -13.372 1.00 33.10 H new ATOM 0 HG23 ILE A 40 -7.536 10.995 -12.634 1.00 33.10 H new ATOM 0 HD11 ILE A 40 -4.086 11.919 -12.243 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.736 11.421 -11.803 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -4.987 10.799 -13.293 1.00 4.01 H new ATOM 608 N PHE A 41 -8.569 11.829 -16.984 1.00 35.30 N ATOM 609 CA PHE A 41 -9.218 12.421 -18.148 1.00 61.12 C ATOM 610 C PHE A 41 -10.718 12.575 -17.915 1.00 40.34 C ATOM 611 O PHE A 41 -11.334 11.775 -17.210 1.00 51.21 O ATOM 612 CB PHE A 41 -8.969 11.562 -19.389 1.00 63.44 C ATOM 613 CG PHE A 41 -8.959 10.087 -19.105 1.00 73.33 C ATOM 614 CD1 PHE A 41 -10.115 9.438 -18.702 1.00 55.13 C ATOM 615 CD2 PHE A 41 -7.795 9.349 -19.242 1.00 25.12 C ATOM 616 CE1 PHE A 41 -10.109 8.081 -18.439 1.00 52.35 C ATOM 617 CE2 PHE A 41 -7.782 7.992 -18.981 1.00 33.41 C ATOM 618 CZ PHE A 41 -8.942 7.357 -18.580 1.00 64.12 C ATOM 0 H PHE A 41 -9.014 10.978 -16.641 1.00 35.30 H new ATOM 0 HA PHE A 41 -8.789 13.410 -18.307 1.00 61.12 H new ATOM 0 HB2 PHE A 41 -9.739 11.776 -20.130 1.00 63.44 H new ATOM 0 HB3 PHE A 41 -8.014 11.845 -19.831 1.00 63.44 H new ATOM 0 HD1 PHE A 41 -11.031 9.999 -18.592 1.00 55.13 H new ATOM 0 HD2 PHE A 41 -6.886 9.840 -19.557 1.00 25.12 H new ATOM 0 HE1 PHE A 41 -11.016 7.588 -18.123 1.00 52.35 H new ATOM 0 HE2 PHE A 41 -6.867 7.429 -19.090 1.00 33.41 H new ATOM 0 HZ PHE A 41 -8.936 6.296 -18.377 1.00 64.12 H new ATOM 628 N LEU A 42 -11.300 13.610 -18.512 1.00 63.45 N ATOM 629 CA LEU A 42 -12.728 13.871 -18.371 1.00 21.22 C ATOM 630 C LEU A 42 -13.480 13.492 -19.643 1.00 24.43 C ATOM 631 O LEU A 42 -13.191 14.005 -20.724 1.00 3.03 O ATOM 632 CB LEU A 42 -12.967 15.346 -18.044 1.00 43.13 C ATOM 633 CG LEU A 42 -14.129 15.644 -17.096 1.00 4.00 C ATOM 634 CD1 LEU A 42 -14.104 17.102 -16.663 1.00 23.42 C ATOM 635 CD2 LEU A 42 -15.457 15.305 -17.757 1.00 22.33 C ATOM 0 H LEU A 42 -10.805 14.282 -19.098 1.00 63.45 H new ATOM 0 HA LEU A 42 -13.105 13.258 -17.552 1.00 21.22 H new ATOM 0 HB2 LEU A 42 -12.055 15.753 -17.608 1.00 43.13 H new ATOM 0 HB3 LEU A 42 -13.140 15.881 -18.978 1.00 43.13 H new ATOM 0 HG LEU A 42 -14.018 15.021 -16.209 1.00 4.00 H new ATOM 0 HD11 LEU A 42 -14.938 17.296 -15.989 1.00 23.42 H new ATOM 0 HD12 LEU A 42 -13.166 17.313 -16.150 1.00 23.42 H new ATOM 0 HD13 LEU A 42 -14.190 17.744 -17.540 1.00 23.42 H new ATOM 0 HD21 LEU A 42 -16.273 15.523 -17.068 1.00 22.33 H new ATOM 0 HD22 LEU A 42 -15.576 15.902 -18.661 1.00 22.33 H new ATOM 0 HD23 LEU A 42 -15.475 14.246 -18.016 1.00 22.33 H new ATOM 647 N VAL A 43 -14.447 12.591 -19.506 1.00 34.33 N ATOM 648 CA VAL A 43 -15.243 12.145 -20.643 1.00 35.10 C ATOM 649 C VAL A 43 -16.616 12.808 -20.647 1.00 11.33 C ATOM 650 O VAL A 43 -17.245 12.963 -19.600 1.00 32.33 O ATOM 651 CB VAL A 43 -15.425 10.615 -20.636 1.00 43.42 C ATOM 652 CG1 VAL A 43 -14.231 9.939 -19.980 1.00 65.15 C ATOM 653 CG2 VAL A 43 -16.717 10.236 -19.930 1.00 33.43 C ATOM 0 H VAL A 43 -14.698 12.155 -18.619 1.00 34.33 H new ATOM 0 HA VAL A 43 -14.699 12.435 -21.542 1.00 35.10 H new ATOM 0 HB VAL A 43 -15.487 10.269 -21.668 1.00 43.42 H new ATOM 0 HG11 VAL A 43 -14.377 8.859 -19.984 1.00 65.15 H new ATOM 0 HG12 VAL A 43 -13.325 10.185 -20.533 1.00 65.15 H new ATOM 0 HG13 VAL A 43 -14.135 10.288 -18.952 1.00 65.15 H new ATOM 0 HG21 VAL A 43 -16.829 9.152 -19.934 1.00 33.43 H new ATOM 0 HG22 VAL A 43 -16.688 10.594 -18.901 1.00 33.43 H new ATOM 0 HG23 VAL A 43 -17.562 10.690 -20.448 1.00 33.43 H new ATOM 663 N ASP A 44 -17.075 13.198 -21.831 1.00 12.54 N ATOM 664 CA ASP A 44 -18.375 13.844 -21.972 1.00 0.43 C ATOM 665 C ASP A 44 -19.161 13.237 -23.129 1.00 70.33 C ATOM 666 O ASP A 44 -18.865 13.493 -24.297 1.00 41.02 O ATOM 667 CB ASP A 44 -18.200 15.348 -22.191 1.00 70.14 C ATOM 668 CG ASP A 44 -17.134 15.944 -21.293 1.00 62.05 C ATOM 669 OD1 ASP A 44 -17.463 16.318 -20.148 1.00 71.21 O ATOM 670 OD2 ASP A 44 -15.970 16.036 -21.736 1.00 22.12 O ATOM 0 H ASP A 44 -16.566 13.078 -22.707 1.00 12.54 H new ATOM 0 HA ASP A 44 -18.935 13.682 -21.051 1.00 0.43 H new ATOM 0 HB2 ASP A 44 -17.938 15.532 -23.233 1.00 70.14 H new ATOM 0 HB3 ASP A 44 -19.149 15.852 -22.007 1.00 70.14 H new ATOM 675 N LEU A 45 -20.163 12.430 -22.798 1.00 60.21 N ATOM 676 CA LEU A 45 -20.992 11.784 -23.810 1.00 42.01 C ATOM 677 C LEU A 45 -22.470 11.878 -23.445 1.00 23.35 C ATOM 678 O LEU A 45 -22.842 11.736 -22.279 1.00 45.43 O ATOM 679 CB LEU A 45 -20.586 10.318 -23.970 1.00 72.20 C ATOM 680 CG LEU A 45 -20.416 9.821 -25.406 1.00 50.22 C ATOM 681 CD1 LEU A 45 -20.371 8.302 -25.444 1.00 21.42 C ATOM 682 CD2 LEU A 45 -21.540 10.345 -26.288 1.00 42.34 C ATOM 0 H LEU A 45 -20.421 12.207 -21.837 1.00 60.21 H new ATOM 0 HA LEU A 45 -20.837 12.303 -24.756 1.00 42.01 H new ATOM 0 HB2 LEU A 45 -19.647 10.162 -23.439 1.00 72.20 H new ATOM 0 HB3 LEU A 45 -21.336 9.698 -23.479 1.00 72.20 H new ATOM 0 HG LEU A 45 -19.470 10.201 -25.792 1.00 50.22 H new ATOM 0 HD11 LEU A 45 -20.250 7.967 -26.474 1.00 21.42 H new ATOM 0 HD12 LEU A 45 -19.531 7.948 -24.846 1.00 21.42 H new ATOM 0 HD13 LEU A 45 -21.300 7.900 -25.039 1.00 21.42 H new ATOM 0 HD21 LEU A 45 -21.403 9.981 -27.306 1.00 42.34 H new ATOM 0 HD22 LEU A 45 -22.498 9.995 -25.903 1.00 42.34 H new ATOM 0 HD23 LEU A 45 -21.525 11.435 -26.287 1.00 42.34 H new ATOM 694 N TYR A 46 -23.308 12.115 -24.447 1.00 62.34 N ATOM 695 CA TYR A 46 -24.745 12.227 -24.232 1.00 14.34 C ATOM 696 C TYR A 46 -25.070 13.421 -23.339 1.00 55.32 C ATOM 697 O TYR A 46 -25.965 13.356 -22.497 1.00 52.44 O ATOM 698 CB TYR A 46 -25.290 10.944 -23.603 1.00 71.52 C ATOM 699 CG TYR A 46 -24.878 9.688 -24.338 1.00 33.22 C ATOM 700 CD1 TYR A 46 -25.630 9.204 -25.402 1.00 45.32 C ATOM 701 CD2 TYR A 46 -23.739 8.984 -23.967 1.00 50.33 C ATOM 702 CE1 TYR A 46 -25.258 8.057 -26.076 1.00 43.00 C ATOM 703 CE2 TYR A 46 -23.359 7.837 -24.636 1.00 42.13 C ATOM 704 CZ TYR A 46 -24.121 7.377 -25.690 1.00 14.33 C ATOM 705 OH TYR A 46 -23.747 6.234 -26.358 1.00 3.13 O ATOM 0 H TYR A 46 -23.017 12.233 -25.417 1.00 62.34 H new ATOM 0 HA TYR A 46 -25.221 12.379 -25.201 1.00 14.34 H new ATOM 0 HB2 TYR A 46 -24.946 10.881 -22.571 1.00 71.52 H new ATOM 0 HB3 TYR A 46 -26.378 10.997 -23.573 1.00 71.52 H new ATOM 0 HD1 TYR A 46 -26.520 9.734 -25.707 1.00 45.32 H new ATOM 0 HD2 TYR A 46 -23.141 9.340 -23.141 1.00 50.33 H new ATOM 0 HE1 TYR A 46 -25.854 7.694 -26.901 1.00 43.00 H new ATOM 0 HE2 TYR A 46 -22.470 7.303 -24.335 1.00 42.13 H new ATOM 0 HH TYR A 46 -22.924 5.878 -25.962 1.00 3.13 H new ATOM 715 N GLY A 47 -24.336 14.513 -23.531 1.00 62.12 N ATOM 716 CA GLY A 47 -24.560 15.707 -22.738 1.00 13.12 C ATOM 717 C GLY A 47 -24.263 15.490 -21.267 1.00 52.53 C ATOM 718 O GLY A 47 -24.605 16.325 -20.430 1.00 34.43 O ATOM 0 H GLY A 47 -23.590 14.592 -24.222 1.00 62.12 H new ATOM 0 HA2 GLY A 47 -23.933 16.514 -23.117 1.00 13.12 H new ATOM 0 HA3 GLY A 47 -25.596 16.027 -22.853 1.00 13.12 H new ATOM 722 N GLN A 48 -23.626 14.367 -20.953 1.00 53.11 N ATOM 723 CA GLN A 48 -23.286 14.043 -19.573 1.00 30.12 C ATOM 724 C GLN A 48 -21.780 14.134 -19.347 1.00 54.54 C ATOM 725 O GLN A 48 -20.991 13.611 -20.134 1.00 40.21 O ATOM 726 CB GLN A 48 -23.782 12.640 -19.219 1.00 32.11 C ATOM 727 CG GLN A 48 -25.193 12.353 -19.706 1.00 73.21 C ATOM 728 CD GLN A 48 -25.885 11.278 -18.890 1.00 50.44 C ATOM 729 OE1 GLN A 48 -25.893 10.106 -19.266 1.00 70.14 O ATOM 730 NE2 GLN A 48 -26.471 11.673 -17.766 1.00 3.40 N ATOM 0 H GLN A 48 -23.335 13.667 -21.635 1.00 53.11 H new ATOM 0 HA GLN A 48 -23.777 14.769 -18.925 1.00 30.12 H new ATOM 0 HB2 GLN A 48 -23.102 11.904 -19.648 1.00 32.11 H new ATOM 0 HB3 GLN A 48 -23.747 12.514 -18.137 1.00 32.11 H new ATOM 0 HG2 GLN A 48 -25.781 13.270 -19.665 1.00 73.21 H new ATOM 0 HG3 GLN A 48 -25.157 12.044 -20.751 1.00 73.21 H new ATOM 0 HE21 GLN A 48 -26.440 12.655 -17.492 1.00 3.40 H new ATOM 0 HE22 GLN A 48 -26.952 10.994 -17.176 1.00 3.40 H new ATOM 739 N LYS A 49 -21.388 14.803 -18.268 1.00 53.12 N ATOM 740 CA LYS A 49 -19.977 14.963 -17.937 1.00 53.35 C ATOM 741 C LYS A 49 -19.588 14.069 -16.765 1.00 33.40 C ATOM 742 O LYS A 49 -20.257 14.058 -15.731 1.00 3.30 O ATOM 743 CB LYS A 49 -19.674 16.425 -17.600 1.00 72.10 C ATOM 744 CG LYS A 49 -19.913 17.379 -18.758 1.00 23.51 C ATOM 745 CD LYS A 49 -21.255 18.080 -18.635 1.00 42.20 C ATOM 746 CE LYS A 49 -21.085 19.555 -18.304 1.00 44.03 C ATOM 747 NZ LYS A 49 -21.318 19.830 -16.859 1.00 65.14 N ATOM 0 H LYS A 49 -22.028 15.243 -17.607 1.00 53.12 H new ATOM 0 HA LYS A 49 -19.390 14.667 -18.806 1.00 53.35 H new ATOM 0 HB2 LYS A 49 -20.292 16.730 -16.756 1.00 72.10 H new ATOM 0 HB3 LYS A 49 -18.635 16.508 -17.281 1.00 72.10 H new ATOM 0 HG2 LYS A 49 -19.115 18.121 -18.790 1.00 23.51 H new ATOM 0 HG3 LYS A 49 -19.874 16.829 -19.698 1.00 23.51 H new ATOM 0 HD2 LYS A 49 -21.807 17.977 -19.569 1.00 42.20 H new ATOM 0 HD3 LYS A 49 -21.849 17.598 -17.858 1.00 42.20 H new ATOM 0 HE2 LYS A 49 -20.079 19.875 -18.577 1.00 44.03 H new ATOM 0 HE3 LYS A 49 -21.780 20.144 -18.902 1.00 44.03 H new ATOM 0 HZ1 LYS A 49 -21.193 20.846 -16.674 1.00 65.14 H new ATOM 0 HZ2 LYS A 49 -22.286 19.549 -16.604 1.00 65.14 H new ATOM 0 HZ3 LYS A 49 -20.638 19.288 -16.288 1.00 65.14 H new ATOM 761 N TYR A 50 -18.504 13.320 -16.932 1.00 44.33 N ATOM 762 CA TYR A 50 -18.026 12.422 -15.888 1.00 34.31 C ATOM 763 C TYR A 50 -16.502 12.378 -15.861 1.00 44.34 C ATOM 764 O TYR A 50 -15.845 12.576 -16.884 1.00 73.42 O ATOM 765 CB TYR A 50 -18.584 11.014 -16.103 1.00 72.22 C ATOM 766 CG TYR A 50 -20.006 10.845 -15.616 1.00 63.34 C ATOM 767 CD1 TYR A 50 -21.074 11.362 -16.339 1.00 31.04 C ATOM 768 CD2 TYR A 50 -20.280 10.169 -14.434 1.00 73.31 C ATOM 769 CE1 TYR A 50 -22.375 11.211 -15.897 1.00 64.55 C ATOM 770 CE2 TYR A 50 -21.578 10.011 -13.986 1.00 44.21 C ATOM 771 CZ TYR A 50 -22.621 10.534 -14.721 1.00 71.01 C ATOM 772 OH TYR A 50 -23.915 10.380 -14.277 1.00 43.54 O ATOM 0 H TYR A 50 -17.939 13.317 -17.781 1.00 44.33 H new ATOM 0 HA TYR A 50 -18.377 12.803 -14.929 1.00 34.31 H new ATOM 0 HB2 TYR A 50 -18.542 10.774 -17.165 1.00 72.22 H new ATOM 0 HB3 TYR A 50 -17.945 10.296 -15.588 1.00 72.22 H new ATOM 0 HD1 TYR A 50 -20.885 11.891 -17.262 1.00 31.04 H new ATOM 0 HD2 TYR A 50 -19.465 9.760 -13.855 1.00 73.31 H new ATOM 0 HE1 TYR A 50 -23.194 11.621 -16.469 1.00 64.55 H new ATOM 0 HE2 TYR A 50 -21.774 9.481 -13.066 1.00 44.21 H new ATOM 0 HH TYR A 50 -23.914 9.879 -13.435 1.00 43.54 H new ATOM 782 N PHE A 51 -15.944 12.118 -14.684 1.00 31.35 N ATOM 783 CA PHE A 51 -14.497 12.048 -14.522 1.00 4.14 C ATOM 784 C PHE A 51 -14.029 10.599 -14.422 1.00 75.13 C ATOM 785 O PHE A 51 -14.572 9.812 -13.646 1.00 54.33 O ATOM 786 CB PHE A 51 -14.064 12.822 -13.274 1.00 61.24 C ATOM 787 CG PHE A 51 -14.308 14.301 -13.372 1.00 21.44 C ATOM 788 CD1 PHE A 51 -15.599 14.804 -13.383 1.00 63.13 C ATOM 789 CD2 PHE A 51 -13.246 15.187 -13.452 1.00 13.51 C ATOM 790 CE1 PHE A 51 -15.827 16.164 -13.472 1.00 42.33 C ATOM 791 CE2 PHE A 51 -13.468 16.549 -13.541 1.00 32.33 C ATOM 792 CZ PHE A 51 -14.760 17.038 -13.552 1.00 60.42 C ATOM 0 H PHE A 51 -16.472 11.952 -13.827 1.00 31.35 H new ATOM 0 HA PHE A 51 -14.037 12.500 -15.401 1.00 4.14 H new ATOM 0 HB2 PHE A 51 -14.599 12.430 -12.409 1.00 61.24 H new ATOM 0 HB3 PHE A 51 -13.003 12.648 -13.098 1.00 61.24 H new ATOM 0 HD1 PHE A 51 -16.437 14.125 -13.321 1.00 63.13 H new ATOM 0 HD2 PHE A 51 -12.234 14.810 -13.445 1.00 13.51 H new ATOM 0 HE1 PHE A 51 -16.838 16.543 -13.479 1.00 42.33 H new ATOM 0 HE2 PHE A 51 -12.632 17.230 -13.602 1.00 32.33 H new ATOM 0 HZ PHE A 51 -14.936 18.101 -13.623 1.00 60.42 H new ATOM 802 N ARG A 52 -13.020 10.253 -15.214 1.00 44.53 N ATOM 803 CA ARG A 52 -12.480 8.899 -15.218 1.00 11.13 C ATOM 804 C ARG A 52 -10.958 8.920 -15.105 1.00 75.34 C ATOM 805 O ARG A 52 -10.288 9.714 -15.766 1.00 14.11 O ATOM 806 CB ARG A 52 -12.898 8.164 -16.492 1.00 72.14 C ATOM 807 CG ARG A 52 -14.404 8.099 -16.692 1.00 24.30 C ATOM 808 CD ARG A 52 -14.798 6.926 -17.576 1.00 31.33 C ATOM 809 NE ARG A 52 -14.288 7.070 -18.937 1.00 30.25 N ATOM 810 CZ ARG A 52 -14.798 6.431 -19.984 1.00 2.31 C ATOM 811 NH1 ARG A 52 -15.827 5.610 -19.827 1.00 65.33 N ATOM 812 NH2 ARG A 52 -14.279 6.615 -21.191 1.00 63.42 N ATOM 0 H ARG A 52 -12.559 10.892 -15.862 1.00 44.53 H new ATOM 0 HA ARG A 52 -12.884 8.371 -14.354 1.00 11.13 H new ATOM 0 HB2 ARG A 52 -12.447 8.659 -17.352 1.00 72.14 H new ATOM 0 HB3 ARG A 52 -12.500 7.150 -16.463 1.00 72.14 H new ATOM 0 HG2 ARG A 52 -14.897 8.008 -15.724 1.00 24.30 H new ATOM 0 HG3 ARG A 52 -14.753 9.028 -17.142 1.00 24.30 H new ATOM 0 HD2 ARG A 52 -14.417 6.001 -17.142 1.00 31.33 H new ATOM 0 HD3 ARG A 52 -15.884 6.842 -17.603 1.00 31.33 H new ATOM 0 HE ARG A 52 -13.497 7.695 -19.092 1.00 30.25 H new ATOM 0 HH11 ARG A 52 -16.229 5.468 -18.900 1.00 65.33 H new ATOM 0 HH12 ARG A 52 -16.217 5.121 -20.633 1.00 65.33 H new ATOM 0 HH21 ARG A 52 -13.488 7.247 -21.315 1.00 63.42 H new ATOM 0 HH22 ARG A 52 -14.671 6.124 -21.995 1.00 63.42 H new ATOM 826 N ILE A 53 -10.420 8.042 -14.265 1.00 55.22 N ATOM 827 CA ILE A 53 -8.979 7.960 -14.067 1.00 63.33 C ATOM 828 C ILE A 53 -8.459 6.562 -14.386 1.00 32.11 C ATOM 829 O ILE A 53 -9.064 5.560 -14.002 1.00 14.11 O ATOM 830 CB ILE A 53 -8.587 8.324 -12.623 1.00 60.01 C ATOM 831 CG1 ILE A 53 -8.633 7.082 -11.730 1.00 40.24 C ATOM 832 CG2 ILE A 53 -9.508 9.407 -12.081 1.00 72.25 C ATOM 833 CD1 ILE A 53 -7.331 6.314 -11.697 1.00 24.42 C ATOM 0 H ILE A 53 -10.961 7.378 -13.711 1.00 55.22 H new ATOM 0 HA ILE A 53 -8.526 8.679 -14.750 1.00 63.33 H new ATOM 0 HB ILE A 53 -7.567 8.709 -12.625 1.00 60.01 H new ATOM 0 HG12 ILE A 53 -8.894 7.383 -10.715 1.00 40.24 H new ATOM 0 HG13 ILE A 53 -9.426 6.422 -12.080 1.00 40.24 H new ATOM 0 HG21 ILE A 53 -9.218 9.653 -11.060 1.00 72.25 H new ATOM 0 HG22 ILE A 53 -9.430 10.297 -12.705 1.00 72.25 H new ATOM 0 HG23 ILE A 53 -10.537 9.047 -12.089 1.00 72.25 H new ATOM 0 HD11 ILE A 53 -7.436 5.447 -11.045 1.00 24.42 H new ATOM 0 HD12 ILE A 53 -7.079 5.982 -12.704 1.00 24.42 H new ATOM 0 HD13 ILE A 53 -6.538 6.959 -11.318 1.00 24.42 H new ATOM 845 N LEU A 54 -7.334 6.501 -15.089 1.00 5.24 N ATOM 846 CA LEU A 54 -6.730 5.225 -15.458 1.00 1.43 C ATOM 847 C LEU A 54 -5.359 5.063 -14.808 1.00 52.45 C ATOM 848 O LEU A 54 -4.446 5.851 -15.057 1.00 20.12 O ATOM 849 CB LEU A 54 -6.602 5.120 -16.978 1.00 52.35 C ATOM 850 CG LEU A 54 -6.942 3.760 -17.588 1.00 64.31 C ATOM 851 CD1 LEU A 54 -6.358 3.641 -18.987 1.00 42.13 C ATOM 852 CD2 LEU A 54 -6.433 2.635 -16.699 1.00 25.24 C ATOM 0 H LEU A 54 -6.821 7.320 -15.415 1.00 5.24 H new ATOM 0 HA LEU A 54 -7.379 4.426 -15.098 1.00 1.43 H new ATOM 0 HB2 LEU A 54 -7.250 5.871 -17.430 1.00 52.35 H new ATOM 0 HB3 LEU A 54 -5.579 5.374 -17.255 1.00 52.35 H new ATOM 0 HG LEU A 54 -8.026 3.677 -17.661 1.00 64.31 H new ATOM 0 HD11 LEU A 54 -6.610 2.666 -19.405 1.00 42.13 H new ATOM 0 HD12 LEU A 54 -6.770 4.426 -19.621 1.00 42.13 H new ATOM 0 HD13 LEU A 54 -5.274 3.745 -18.939 1.00 42.13 H new ATOM 0 HD21 LEU A 54 -6.684 1.674 -17.149 1.00 25.24 H new ATOM 0 HD22 LEU A 54 -5.351 2.715 -16.594 1.00 25.24 H new ATOM 0 HD23 LEU A 54 -6.899 2.708 -15.716 1.00 25.24 H new ATOM 864 N PHE A 55 -5.222 4.036 -13.977 1.00 62.21 N ATOM 865 CA PHE A 55 -3.962 3.769 -13.293 1.00 1.21 C ATOM 866 C PHE A 55 -3.506 2.333 -13.533 1.00 20.10 C ATOM 867 O PHE A 55 -4.195 1.383 -13.164 1.00 34.31 O ATOM 868 CB PHE A 55 -4.108 4.026 -11.792 1.00 33.54 C ATOM 869 CG PHE A 55 -3.176 3.202 -10.949 1.00 54.12 C ATOM 870 CD1 PHE A 55 -1.824 3.142 -11.245 1.00 11.41 C ATOM 871 CD2 PHE A 55 -3.653 2.488 -9.861 1.00 44.33 C ATOM 872 CE1 PHE A 55 -0.965 2.385 -10.472 1.00 23.21 C ATOM 873 CE2 PHE A 55 -2.798 1.729 -9.084 1.00 42.33 C ATOM 874 CZ PHE A 55 -1.452 1.678 -9.389 1.00 41.45 C ATOM 0 H PHE A 55 -5.968 3.375 -13.761 1.00 62.21 H new ATOM 0 HA PHE A 55 -3.207 4.443 -13.698 1.00 1.21 H new ATOM 0 HB2 PHE A 55 -3.927 5.082 -11.593 1.00 33.54 H new ATOM 0 HB3 PHE A 55 -5.135 3.817 -11.494 1.00 33.54 H new ATOM 0 HD1 PHE A 55 -1.437 3.693 -12.089 1.00 11.41 H new ATOM 0 HD2 PHE A 55 -4.705 2.525 -9.618 1.00 44.33 H new ATOM 0 HE1 PHE A 55 0.087 2.346 -10.714 1.00 23.21 H new ATOM 0 HE2 PHE A 55 -3.182 1.176 -8.239 1.00 42.33 H new ATOM 0 HZ PHE A 55 -0.782 1.087 -8.783 1.00 41.45 H new ATOM 884 N GLN A 56 -2.340 2.184 -14.154 1.00 54.52 N ATOM 885 CA GLN A 56 -1.793 0.865 -14.445 1.00 21.32 C ATOM 886 C GLN A 56 -0.309 0.802 -14.098 1.00 50.51 C ATOM 887 O GLN A 56 0.390 1.815 -14.136 1.00 64.34 O ATOM 888 CB GLN A 56 -1.999 0.517 -15.920 1.00 50.42 C ATOM 889 CG GLN A 56 -1.227 1.418 -16.871 1.00 14.42 C ATOM 890 CD GLN A 56 -1.892 2.767 -17.065 1.00 5.32 C ATOM 891 OE1 GLN A 56 -3.045 2.965 -16.683 1.00 75.41 O ATOM 892 NE2 GLN A 56 -1.165 3.705 -17.661 1.00 5.23 N ATOM 0 H GLN A 56 -1.757 2.961 -14.465 1.00 54.52 H new ATOM 0 HA GLN A 56 -2.323 0.137 -13.830 1.00 21.32 H new ATOM 0 HB2 GLN A 56 -1.697 -0.517 -16.086 1.00 50.42 H new ATOM 0 HB3 GLN A 56 -3.062 0.580 -16.155 1.00 50.42 H new ATOM 0 HG2 GLN A 56 -0.218 1.566 -16.486 1.00 14.42 H new ATOM 0 HG3 GLN A 56 -1.130 0.922 -17.837 1.00 14.42 H new ATOM 0 HE21 GLN A 56 -0.213 3.498 -17.962 1.00 5.23 H new ATOM 0 HE22 GLN A 56 -1.559 4.633 -17.818 1.00 5.23 H new ATOM 901 N SER A 57 0.165 -0.392 -13.759 1.00 71.34 N ATOM 902 CA SER A 57 1.565 -0.586 -13.402 1.00 3.24 C ATOM 903 C SER A 57 2.437 -0.676 -14.650 1.00 65.20 C ATOM 904 O SER A 57 1.947 -0.570 -15.774 1.00 74.22 O ATOM 905 CB SER A 57 1.728 -1.852 -12.559 1.00 60.41 C ATOM 906 OG SER A 57 3.035 -1.942 -12.019 1.00 43.55 O ATOM 0 H SER A 57 -0.400 -1.240 -13.724 1.00 71.34 H new ATOM 0 HA SER A 57 1.887 0.275 -12.817 1.00 3.24 H new ATOM 0 HB2 SER A 57 0.997 -1.851 -11.751 1.00 60.41 H new ATOM 0 HB3 SER A 57 1.524 -2.730 -13.172 1.00 60.41 H new ATOM 0 HG SER A 57 3.067 -2.666 -11.360 1.00 43.55 H new ATOM 912 N LYS A 58 3.735 -0.873 -14.444 1.00 43.23 N ATOM 913 CA LYS A 58 4.679 -0.979 -15.551 1.00 75.21 C ATOM 914 C LYS A 58 4.364 -2.193 -16.419 1.00 61.41 C ATOM 915 O LYS A 58 4.231 -2.081 -17.638 1.00 11.21 O ATOM 916 CB LYS A 58 6.111 -1.076 -15.020 1.00 54.43 C ATOM 917 CG LYS A 58 7.141 -1.361 -16.099 1.00 42.00 C ATOM 918 CD LYS A 58 7.237 -0.218 -17.096 1.00 15.25 C ATOM 919 CE LYS A 58 7.950 0.985 -16.497 1.00 62.15 C ATOM 920 NZ LYS A 58 8.764 1.709 -17.513 1.00 73.32 N ATOM 0 H LYS A 58 4.158 -0.963 -13.520 1.00 43.23 H new ATOM 0 HA LYS A 58 4.585 -0.082 -16.163 1.00 75.21 H new ATOM 0 HB2 LYS A 58 6.369 -0.142 -14.521 1.00 54.43 H new ATOM 0 HB3 LYS A 58 6.158 -1.863 -14.267 1.00 54.43 H new ATOM 0 HG2 LYS A 58 8.115 -1.526 -15.639 1.00 42.00 H new ATOM 0 HG3 LYS A 58 6.876 -2.280 -16.622 1.00 42.00 H new ATOM 0 HD2 LYS A 58 7.771 -0.553 -17.985 1.00 15.25 H new ATOM 0 HD3 LYS A 58 6.236 0.073 -17.416 1.00 15.25 H new ATOM 0 HE2 LYS A 58 7.215 1.666 -16.068 1.00 62.15 H new ATOM 0 HE3 LYS A 58 8.595 0.656 -15.682 1.00 62.15 H new ATOM 0 HZ1 LYS A 58 9.234 2.522 -17.066 1.00 73.32 H new ATOM 0 HZ2 LYS A 58 9.482 1.066 -17.905 1.00 73.32 H new ATOM 0 HZ3 LYS A 58 8.145 2.045 -18.278 1.00 73.32 H new ATOM 934 N LYS A 59 4.245 -3.354 -15.784 1.00 20.32 N ATOM 935 CA LYS A 59 3.943 -4.590 -16.497 1.00 2.22 C ATOM 936 C LYS A 59 2.459 -4.673 -16.836 1.00 75.25 C ATOM 937 O LYS A 59 2.077 -5.240 -17.861 1.00 54.03 O ATOM 938 CB LYS A 59 4.354 -5.801 -15.656 1.00 72.14 C ATOM 939 CG LYS A 59 5.816 -5.788 -15.244 1.00 15.11 C ATOM 940 CD LYS A 59 6.664 -6.642 -16.171 1.00 43.41 C ATOM 941 CE LYS A 59 6.801 -6.005 -17.546 1.00 1.34 C ATOM 942 NZ LYS A 59 7.931 -6.591 -18.318 1.00 42.53 N ATOM 0 H LYS A 59 4.353 -3.465 -14.776 1.00 20.32 H new ATOM 0 HA LYS A 59 4.511 -4.592 -17.427 1.00 2.22 H new ATOM 0 HB2 LYS A 59 3.733 -5.838 -14.761 1.00 72.14 H new ATOM 0 HB3 LYS A 59 4.153 -6.711 -16.222 1.00 72.14 H new ATOM 0 HG2 LYS A 59 6.188 -4.763 -15.250 1.00 15.11 H new ATOM 0 HG3 LYS A 59 5.910 -6.155 -14.222 1.00 15.11 H new ATOM 0 HD2 LYS A 59 7.653 -6.784 -15.734 1.00 43.41 H new ATOM 0 HD3 LYS A 59 6.215 -7.630 -16.270 1.00 43.41 H new ATOM 0 HE2 LYS A 59 5.873 -6.139 -18.102 1.00 1.34 H new ATOM 0 HE3 LYS A 59 6.955 -4.932 -17.435 1.00 1.34 H new ATOM 0 HZ1 LYS A 59 7.991 -6.131 -19.249 1.00 42.53 H new ATOM 0 HZ2 LYS A 59 8.820 -6.441 -17.800 1.00 42.53 H new ATOM 0 HZ3 LYS A 59 7.772 -7.611 -18.446 1.00 42.53 H new ATOM 956 N LEU A 60 1.626 -4.105 -15.972 1.00 13.52 N ATOM 957 CA LEU A 60 0.182 -4.113 -16.181 1.00 60.12 C ATOM 958 C LEU A 60 -0.256 -5.382 -16.906 1.00 24.24 C ATOM 959 O LEU A 60 -0.996 -5.325 -17.887 1.00 15.41 O ATOM 960 CB LEU A 60 -0.244 -2.882 -16.983 1.00 12.03 C ATOM 961 CG LEU A 60 0.663 -2.495 -18.151 1.00 51.51 C ATOM 962 CD1 LEU A 60 0.299 -3.289 -19.396 1.00 14.51 C ATOM 963 CD2 LEU A 60 0.572 -1.000 -18.424 1.00 23.21 C ATOM 0 H LEU A 60 1.925 -3.633 -15.119 1.00 13.52 H new ATOM 0 HA LEU A 60 -0.302 -4.088 -15.205 1.00 60.12 H new ATOM 0 HB2 LEU A 60 -1.248 -3.055 -17.371 1.00 12.03 H new ATOM 0 HB3 LEU A 60 -0.307 -2.033 -16.302 1.00 12.03 H new ATOM 0 HG LEU A 60 1.692 -2.733 -17.881 1.00 51.51 H new ATOM 0 HD11 LEU A 60 0.955 -3.000 -20.217 1.00 14.51 H new ATOM 0 HD12 LEU A 60 0.416 -4.354 -19.196 1.00 14.51 H new ATOM 0 HD13 LEU A 60 -0.736 -3.083 -19.669 1.00 14.51 H new ATOM 0 HD21 LEU A 60 1.224 -0.742 -19.259 1.00 23.21 H new ATOM 0 HD22 LEU A 60 -0.456 -0.737 -18.672 1.00 23.21 H new ATOM 0 HD23 LEU A 60 0.883 -0.449 -17.537 1.00 23.21 H new ATOM 975 N SER A 61 0.206 -6.527 -16.414 1.00 23.43 N ATOM 976 CA SER A 61 -0.136 -7.811 -17.015 1.00 51.11 C ATOM 977 C SER A 61 -1.250 -8.499 -16.231 1.00 4.52 C ATOM 978 O SER A 61 -1.369 -8.322 -15.019 1.00 32.10 O ATOM 979 CB SER A 61 1.096 -8.716 -17.073 1.00 1.20 C ATOM 980 OG SER A 61 1.629 -8.936 -15.778 1.00 55.13 O ATOM 0 H SER A 61 0.818 -6.592 -15.601 1.00 23.43 H new ATOM 0 HA SER A 61 -0.490 -7.626 -18.029 1.00 51.11 H new ATOM 0 HB2 SER A 61 0.829 -9.670 -17.527 1.00 1.20 H new ATOM 0 HB3 SER A 61 1.855 -8.262 -17.710 1.00 1.20 H new ATOM 0 HG SER A 61 2.414 -9.519 -15.842 1.00 55.13 H new ATOM 986 N GLU A 62 -2.062 -9.283 -16.933 1.00 1.34 N ATOM 987 CA GLU A 62 -3.166 -9.996 -16.302 1.00 74.34 C ATOM 988 C GLU A 62 -2.650 -11.133 -15.425 1.00 3.11 C ATOM 989 O GLU A 62 -3.360 -11.629 -14.549 1.00 50.41 O ATOM 990 CB GLU A 62 -4.118 -10.550 -17.365 1.00 43.03 C ATOM 991 CG GLU A 62 -5.200 -11.455 -16.801 1.00 53.23 C ATOM 992 CD GLU A 62 -6.240 -11.837 -17.837 1.00 45.23 C ATOM 993 OE1 GLU A 62 -5.996 -12.798 -18.597 1.00 0.35 O ATOM 994 OE2 GLU A 62 -7.297 -11.174 -17.888 1.00 70.22 O ATOM 0 H GLU A 62 -1.976 -9.440 -17.937 1.00 1.34 H new ATOM 0 HA GLU A 62 -3.707 -9.290 -15.671 1.00 74.34 H new ATOM 0 HB2 GLU A 62 -4.589 -9.718 -17.888 1.00 43.03 H new ATOM 0 HB3 GLU A 62 -3.540 -11.105 -18.104 1.00 43.03 H new ATOM 0 HG2 GLU A 62 -4.741 -12.359 -16.402 1.00 53.23 H new ATOM 0 HG3 GLU A 62 -5.691 -10.953 -15.967 1.00 53.23 H new ATOM 1001 N LEU A 63 -1.409 -11.541 -15.666 1.00 60.54 N ATOM 1002 CA LEU A 63 -0.796 -12.620 -14.899 1.00 63.22 C ATOM 1003 C LEU A 63 -0.921 -12.362 -13.401 1.00 71.41 C ATOM 1004 O LEU A 63 -1.323 -11.278 -12.978 1.00 43.35 O ATOM 1005 CB LEU A 63 0.678 -12.770 -15.281 1.00 30.01 C ATOM 1006 CG LEU A 63 0.973 -12.914 -16.774 1.00 43.23 C ATOM 1007 CD1 LEU A 63 2.455 -13.169 -17.003 1.00 50.43 C ATOM 1008 CD2 LEU A 63 0.138 -14.034 -17.378 1.00 1.33 C ATOM 0 H LEU A 63 -0.808 -11.141 -16.386 1.00 60.54 H new ATOM 0 HA LEU A 63 -1.322 -13.545 -15.135 1.00 63.22 H new ATOM 0 HB2 LEU A 63 1.220 -11.902 -14.906 1.00 30.01 H new ATOM 0 HB3 LEU A 63 1.079 -13.643 -14.766 1.00 30.01 H new ATOM 0 HG LEU A 63 0.705 -11.981 -17.269 1.00 43.23 H new ATOM 0 HD11 LEU A 63 2.646 -13.269 -18.071 1.00 50.43 H new ATOM 0 HD12 LEU A 63 3.033 -12.334 -16.607 1.00 50.43 H new ATOM 0 HD13 LEU A 63 2.749 -14.087 -16.494 1.00 50.43 H new ATOM 0 HD21 LEU A 63 0.361 -14.122 -18.441 1.00 1.33 H new ATOM 0 HD22 LEU A 63 0.374 -14.974 -16.879 1.00 1.33 H new ATOM 0 HD23 LEU A 63 -0.921 -13.810 -17.247 1.00 1.33 H new ATOM 1020 N HIS A 64 -0.573 -13.366 -12.602 1.00 1.01 N ATOM 1021 CA HIS A 64 -0.644 -13.247 -11.150 1.00 3.01 C ATOM 1022 C HIS A 64 -2.087 -13.066 -10.689 1.00 70.05 C ATOM 1023 O HIS A 64 -2.542 -11.955 -10.414 1.00 63.51 O ATOM 1024 CB HIS A 64 0.208 -12.071 -10.671 1.00 52.23 C ATOM 1025 CG HIS A 64 1.571 -12.027 -11.290 1.00 70.23 C ATOM 1026 ND1 HIS A 64 1.867 -11.274 -12.407 1.00 32.11 N ATOM 1027 CD2 HIS A 64 2.722 -12.648 -10.941 1.00 70.14 C ATOM 1028 CE1 HIS A 64 3.140 -11.435 -12.719 1.00 23.00 C ATOM 1029 NE2 HIS A 64 3.682 -12.264 -11.845 1.00 1.22 N ATOM 0 H HIS A 64 -0.239 -14.270 -12.935 1.00 1.01 H new ATOM 0 HA HIS A 64 -0.255 -14.168 -10.716 1.00 3.01 H new ATOM 0 HB2 HIS A 64 -0.314 -11.140 -10.895 1.00 52.23 H new ATOM 0 HB3 HIS A 64 0.312 -12.126 -9.587 1.00 52.23 H new ATOM 0 HD2 HIS A 64 2.860 -13.320 -10.107 1.00 70.14 H new ATOM 0 HE1 HIS A 64 3.651 -10.968 -13.548 1.00 23.00 H new ATOM 0 HE2 HIS A 64 4.655 -12.569 -11.842 1.00 1.22 H new ATOM 1037 N PRO A 65 -2.826 -14.182 -10.604 1.00 61.21 N ATOM 1038 CA PRO A 65 -4.228 -14.172 -10.178 1.00 34.44 C ATOM 1039 C PRO A 65 -4.382 -13.840 -8.697 1.00 62.32 C ATOM 1040 O PRO A 65 -5.393 -13.276 -8.281 1.00 4.25 O ATOM 1041 CB PRO A 65 -4.694 -15.604 -10.455 1.00 44.14 C ATOM 1042 CG PRO A 65 -3.451 -16.424 -10.401 1.00 2.52 C ATOM 1043 CD PRO A 65 -2.349 -15.540 -10.917 1.00 10.22 C ATOM 0 HA PRO A 65 -4.807 -13.412 -10.702 1.00 34.44 H new ATOM 0 HB2 PRO A 65 -5.419 -15.935 -9.712 1.00 44.14 H new ATOM 0 HB3 PRO A 65 -5.178 -15.682 -11.429 1.00 44.14 H new ATOM 0 HG2 PRO A 65 -3.244 -16.752 -9.382 1.00 2.52 H new ATOM 0 HG3 PRO A 65 -3.549 -17.322 -11.011 1.00 2.52 H new ATOM 0 HD2 PRO A 65 -1.399 -15.755 -10.428 1.00 10.22 H new ATOM 0 HD3 PRO A 65 -2.194 -15.675 -11.987 1.00 10.22 H new ATOM 1051 N GLU A 66 -3.372 -14.194 -7.908 1.00 70.12 N ATOM 1052 CA GLU A 66 -3.397 -13.933 -6.474 1.00 24.02 C ATOM 1053 C GLU A 66 -3.111 -12.462 -6.183 1.00 72.35 C ATOM 1054 O GLU A 66 -3.577 -11.915 -5.185 1.00 31.13 O ATOM 1055 CB GLU A 66 -2.373 -14.814 -5.755 1.00 63.10 C ATOM 1056 CG GLU A 66 -2.720 -15.090 -4.302 1.00 15.32 C ATOM 1057 CD GLU A 66 -1.492 -15.295 -3.437 1.00 31.12 C ATOM 1058 OE1 GLU A 66 -1.022 -16.448 -3.340 1.00 21.15 O ATOM 1059 OE2 GLU A 66 -1.001 -14.304 -2.857 1.00 73.03 O ATOM 0 H GLU A 66 -2.528 -14.662 -8.238 1.00 70.12 H new ATOM 0 HA GLU A 66 -4.395 -14.171 -6.105 1.00 24.02 H new ATOM 0 HB2 GLU A 66 -2.286 -15.762 -6.285 1.00 63.10 H new ATOM 0 HB3 GLU A 66 -1.396 -14.333 -5.801 1.00 63.10 H new ATOM 0 HG2 GLU A 66 -3.303 -14.258 -3.907 1.00 15.32 H new ATOM 0 HG3 GLU A 66 -3.352 -15.977 -4.245 1.00 15.32 H new ATOM 1066 N GLU A 67 -2.342 -11.830 -7.064 1.00 50.31 N ATOM 1067 CA GLU A 67 -1.993 -10.423 -6.901 1.00 74.23 C ATOM 1068 C GLU A 67 -3.177 -9.525 -7.251 1.00 22.41 C ATOM 1069 O GLU A 67 -3.331 -8.439 -6.693 1.00 13.10 O ATOM 1070 CB GLU A 67 -0.792 -10.068 -7.780 1.00 13.40 C ATOM 1071 CG GLU A 67 0.491 -10.770 -7.370 1.00 21.11 C ATOM 1072 CD GLU A 67 1.136 -10.142 -6.150 1.00 11.42 C ATOM 1073 OE1 GLU A 67 0.687 -9.051 -5.738 1.00 24.21 O ATOM 1074 OE2 GLU A 67 2.088 -10.739 -5.607 1.00 65.42 O ATOM 0 H GLU A 67 -1.949 -12.269 -7.897 1.00 50.31 H new ATOM 0 HA GLU A 67 -1.731 -10.258 -5.856 1.00 74.23 H new ATOM 0 HB2 GLU A 67 -1.021 -10.324 -8.814 1.00 13.40 H new ATOM 0 HB3 GLU A 67 -0.633 -8.990 -7.746 1.00 13.40 H new ATOM 0 HG2 GLU A 67 0.277 -11.819 -7.164 1.00 21.11 H new ATOM 0 HG3 GLU A 67 1.195 -10.746 -8.201 1.00 21.11 H new ATOM 1081 N ARG A 68 -4.009 -9.988 -8.178 1.00 41.44 N ATOM 1082 CA ARG A 68 -5.177 -9.227 -8.604 1.00 52.53 C ATOM 1083 C ARG A 68 -6.015 -8.799 -7.403 1.00 32.22 C ATOM 1084 O ARG A 68 -6.346 -7.623 -7.249 1.00 63.21 O ATOM 1085 CB ARG A 68 -6.030 -10.056 -9.565 1.00 73.44 C ATOM 1086 CG ARG A 68 -5.488 -10.093 -10.985 1.00 2.12 C ATOM 1087 CD ARG A 68 -6.595 -10.337 -11.998 1.00 51.42 C ATOM 1088 NE ARG A 68 -6.226 -9.876 -13.334 1.00 3.21 N ATOM 1089 CZ ARG A 68 -6.313 -8.609 -13.725 1.00 23.24 C ATOM 1090 NH1 ARG A 68 -6.754 -7.682 -12.886 1.00 20.13 N ATOM 1091 NH2 ARG A 68 -5.958 -8.268 -14.957 1.00 5.44 N ATOM 0 H ARG A 68 -3.896 -10.886 -8.648 1.00 41.44 H new ATOM 0 HA ARG A 68 -4.828 -8.332 -9.119 1.00 52.53 H new ATOM 0 HB2 ARG A 68 -6.102 -11.075 -9.186 1.00 73.44 H new ATOM 0 HB3 ARG A 68 -7.041 -9.650 -9.582 1.00 73.44 H new ATOM 0 HG2 ARG A 68 -4.989 -9.150 -11.210 1.00 2.12 H new ATOM 0 HG3 ARG A 68 -4.737 -10.879 -11.069 1.00 2.12 H new ATOM 0 HD2 ARG A 68 -6.826 -11.402 -12.033 1.00 51.42 H new ATOM 0 HD3 ARG A 68 -7.501 -9.824 -11.675 1.00 51.42 H new ATOM 0 HE ARG A 68 -5.883 -10.565 -14.004 1.00 3.21 H new ATOM 0 HH11 ARG A 68 -7.027 -7.941 -11.938 1.00 20.13 H new ATOM 0 HH12 ARG A 68 -6.820 -6.710 -13.189 1.00 20.13 H new ATOM 0 HH21 ARG A 68 -5.618 -8.979 -15.605 1.00 5.44 H new ATOM 0 HH22 ARG A 68 -6.025 -7.295 -15.256 1.00 5.44 H new ATOM 1105 N LYS A 69 -6.356 -9.762 -6.553 1.00 73.34 N ATOM 1106 CA LYS A 69 -7.155 -9.487 -5.365 1.00 31.41 C ATOM 1107 C LYS A 69 -6.403 -8.572 -4.404 1.00 55.42 C ATOM 1108 O LYS A 69 -7.000 -7.713 -3.754 1.00 1.11 O ATOM 1109 CB LYS A 69 -7.522 -10.794 -4.658 1.00 71.45 C ATOM 1110 CG LYS A 69 -6.324 -11.674 -4.345 1.00 2.41 C ATOM 1111 CD LYS A 69 -6.727 -12.901 -3.545 1.00 61.12 C ATOM 1112 CE LYS A 69 -7.069 -12.542 -2.107 1.00 50.13 C ATOM 1113 NZ LYS A 69 -7.290 -13.754 -1.271 1.00 13.35 N ATOM 0 H LYS A 69 -6.091 -10.741 -6.665 1.00 73.34 H new ATOM 0 HA LYS A 69 -8.068 -8.983 -5.681 1.00 31.41 H new ATOM 0 HB2 LYS A 69 -8.043 -10.561 -3.730 1.00 71.45 H new ATOM 0 HB3 LYS A 69 -8.219 -11.352 -5.283 1.00 71.45 H new ATOM 0 HG2 LYS A 69 -5.847 -11.985 -5.275 1.00 2.41 H new ATOM 0 HG3 LYS A 69 -5.586 -11.100 -3.785 1.00 2.41 H new ATOM 0 HD2 LYS A 69 -7.587 -13.378 -4.016 1.00 61.12 H new ATOM 0 HD3 LYS A 69 -5.914 -13.627 -3.556 1.00 61.12 H new ATOM 0 HE2 LYS A 69 -6.262 -11.948 -1.679 1.00 50.13 H new ATOM 0 HE3 LYS A 69 -7.965 -11.921 -2.091 1.00 50.13 H new ATOM 0 HZ1 LYS A 69 -7.521 -13.467 -0.298 1.00 13.35 H new ATOM 0 HZ2 LYS A 69 -8.077 -14.308 -1.664 1.00 13.35 H new ATOM 0 HZ3 LYS A 69 -6.427 -14.334 -1.265 1.00 13.35 H new ATOM 1127 N LYS A 70 -5.091 -8.759 -4.320 1.00 43.04 N ATOM 1128 CA LYS A 70 -4.256 -7.948 -3.441 1.00 72.35 C ATOM 1129 C LYS A 70 -4.328 -6.475 -3.829 1.00 53.14 C ATOM 1130 O LYS A 70 -4.621 -5.617 -2.997 1.00 10.14 O ATOM 1131 CB LYS A 70 -2.805 -8.430 -3.495 1.00 22.40 C ATOM 1132 CG LYS A 70 -1.946 -7.901 -2.360 1.00 3.32 C ATOM 1133 CD LYS A 70 -0.810 -8.854 -2.029 1.00 4.13 C ATOM 1134 CE LYS A 70 -1.320 -10.113 -1.345 1.00 1.13 C ATOM 1135 NZ LYS A 70 -0.251 -10.789 -0.559 1.00 21.22 N ATOM 0 H LYS A 70 -4.582 -9.466 -4.850 1.00 43.04 H new ATOM 0 HA LYS A 70 -4.631 -8.056 -2.423 1.00 72.35 H new ATOM 0 HB2 LYS A 70 -2.792 -9.520 -3.472 1.00 22.40 H new ATOM 0 HB3 LYS A 70 -2.365 -8.126 -4.445 1.00 22.40 H new ATOM 0 HG2 LYS A 70 -1.538 -6.928 -2.634 1.00 3.32 H new ATOM 0 HG3 LYS A 70 -2.564 -7.749 -1.475 1.00 3.32 H new ATOM 0 HD2 LYS A 70 -0.282 -9.124 -2.944 1.00 4.13 H new ATOM 0 HD3 LYS A 70 -0.090 -8.353 -1.382 1.00 4.13 H new ATOM 0 HE2 LYS A 70 -2.149 -9.857 -0.685 1.00 1.13 H new ATOM 0 HE3 LYS A 70 -1.710 -10.801 -2.095 1.00 1.13 H new ATOM 0 HZ1 LYS A 70 -0.638 -11.642 -0.108 1.00 21.22 H new ATOM 0 HZ2 LYS A 70 0.530 -11.056 -1.192 1.00 21.22 H new ATOM 0 HZ3 LYS A 70 0.104 -10.141 0.173 1.00 21.22 H new ATOM 1149 N VAL A 71 -4.061 -6.188 -5.100 1.00 22.24 N ATOM 1150 CA VAL A 71 -4.098 -4.819 -5.598 1.00 41.34 C ATOM 1151 C VAL A 71 -5.514 -4.255 -5.553 1.00 21.43 C ATOM 1152 O VAL A 71 -5.711 -3.061 -5.330 1.00 3.23 O ATOM 1153 CB VAL A 71 -3.569 -4.733 -7.043 1.00 15.14 C ATOM 1154 CG1 VAL A 71 -2.102 -5.129 -7.099 1.00 31.41 C ATOM 1155 CG2 VAL A 71 -4.403 -5.608 -7.967 1.00 45.32 C ATOM 0 H VAL A 71 -3.817 -6.886 -5.803 1.00 22.24 H new ATOM 0 HA VAL A 71 -3.454 -4.228 -4.947 1.00 41.34 H new ATOM 0 HB VAL A 71 -3.654 -3.701 -7.383 1.00 15.14 H new ATOM 0 HG11 VAL A 71 -1.746 -5.062 -8.127 1.00 31.41 H new ATOM 0 HG12 VAL A 71 -1.519 -4.457 -6.469 1.00 31.41 H new ATOM 0 HG13 VAL A 71 -1.987 -6.152 -6.741 1.00 31.41 H new ATOM 0 HG21 VAL A 71 -4.016 -5.536 -8.984 1.00 45.32 H new ATOM 0 HG22 VAL A 71 -4.351 -6.644 -7.632 1.00 45.32 H new ATOM 0 HG23 VAL A 71 -5.440 -5.272 -7.949 1.00 45.32 H new ATOM 1165 N ARG A 72 -6.497 -5.124 -5.765 1.00 13.32 N ATOM 1166 CA ARG A 72 -7.896 -4.713 -5.749 1.00 11.25 C ATOM 1167 C ARG A 72 -8.278 -4.139 -4.387 1.00 74.51 C ATOM 1168 O ARG A 72 -8.858 -3.057 -4.300 1.00 22.52 O ATOM 1169 CB ARG A 72 -8.802 -5.898 -6.087 1.00 61.13 C ATOM 1170 CG ARG A 72 -8.921 -6.167 -7.579 1.00 0.14 C ATOM 1171 CD ARG A 72 -9.830 -5.154 -8.256 1.00 53.14 C ATOM 1172 NE ARG A 72 -11.172 -5.150 -7.679 1.00 4.23 N ATOM 1173 CZ ARG A 72 -12.047 -6.135 -7.846 1.00 41.21 C ATOM 1174 NH1 ARG A 72 -11.724 -7.198 -8.570 1.00 5.40 N ATOM 1175 NH2 ARG A 72 -13.248 -6.058 -7.288 1.00 75.34 N ATOM 0 H ARG A 72 -6.351 -6.116 -5.950 1.00 13.32 H new ATOM 0 HA ARG A 72 -8.029 -3.936 -6.502 1.00 11.25 H new ATOM 0 HB2 ARG A 72 -8.417 -6.791 -5.595 1.00 61.13 H new ATOM 0 HB3 ARG A 72 -9.796 -5.713 -5.679 1.00 61.13 H new ATOM 0 HG2 ARG A 72 -7.932 -6.133 -8.036 1.00 0.14 H new ATOM 0 HG3 ARG A 72 -9.312 -7.172 -7.739 1.00 0.14 H new ATOM 0 HD2 ARG A 72 -9.394 -4.159 -8.166 1.00 53.14 H new ATOM 0 HD3 ARG A 72 -9.894 -5.379 -9.321 1.00 53.14 H new ATOM 0 HE ARG A 72 -11.452 -4.346 -7.117 1.00 4.23 H new ATOM 0 HH11 ARG A 72 -10.801 -7.261 -9.000 1.00 5.40 H new ATOM 0 HH12 ARG A 72 -12.398 -7.953 -8.696 1.00 5.40 H new ATOM 0 HH21 ARG A 72 -13.500 -5.242 -6.730 1.00 75.34 H new ATOM 0 HH22 ARG A 72 -13.920 -6.815 -7.417 1.00 75.34 H new ATOM 1189 N GLU A 73 -7.950 -4.873 -3.328 1.00 73.33 N ATOM 1190 CA GLU A 73 -8.261 -4.438 -1.972 1.00 0.42 C ATOM 1191 C GLU A 73 -7.374 -3.266 -1.560 1.00 23.41 C ATOM 1192 O GLU A 73 -7.803 -2.375 -0.828 1.00 10.53 O ATOM 1193 CB GLU A 73 -8.085 -5.596 -0.988 1.00 11.25 C ATOM 1194 CG GLU A 73 -6.662 -6.123 -0.916 1.00 3.44 C ATOM 1195 CD GLU A 73 -6.492 -7.203 0.135 1.00 61.13 C ATOM 1196 OE1 GLU A 73 -6.991 -7.018 1.264 1.00 54.51 O ATOM 1197 OE2 GLU A 73 -5.859 -8.235 -0.174 1.00 12.14 O ATOM 0 H GLU A 73 -7.469 -5.771 -3.383 1.00 73.33 H new ATOM 0 HA GLU A 73 -9.300 -4.109 -1.952 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -8.393 -5.268 0.005 1.00 11.25 H new ATOM 0 HB3 GLU A 73 -8.751 -6.410 -1.275 1.00 11.25 H new ATOM 0 HG2 GLU A 73 -6.376 -6.521 -1.890 1.00 3.44 H new ATOM 0 HG3 GLU A 73 -5.984 -5.298 -0.697 1.00 3.44 H new ATOM 1204 N LYS A 74 -6.133 -3.276 -2.035 1.00 70.03 N ATOM 1205 CA LYS A 74 -5.184 -2.216 -1.719 1.00 5.25 C ATOM 1206 C LYS A 74 -5.695 -0.864 -2.205 1.00 54.21 C ATOM 1207 O LYS A 74 -5.774 0.095 -1.436 1.00 71.33 O ATOM 1208 CB LYS A 74 -3.823 -2.516 -2.351 1.00 42.34 C ATOM 1209 CG LYS A 74 -2.645 -2.083 -1.495 1.00 52.34 C ATOM 1210 CD LYS A 74 -2.721 -0.605 -1.149 1.00 33.34 C ATOM 1211 CE LYS A 74 -2.613 0.265 -2.391 1.00 53.22 C ATOM 1212 NZ LYS A 74 -1.957 1.570 -2.099 1.00 61.43 N ATOM 0 H LYS A 74 -5.761 -4.008 -2.641 1.00 70.03 H new ATOM 0 HA LYS A 74 -5.073 -2.174 -0.635 1.00 5.25 H new ATOM 0 HB2 LYS A 74 -3.749 -3.587 -2.542 1.00 42.34 H new ATOM 0 HB3 LYS A 74 -3.762 -2.015 -3.317 1.00 42.34 H new ATOM 0 HG2 LYS A 74 -2.624 -2.672 -0.578 1.00 52.34 H new ATOM 0 HG3 LYS A 74 -1.715 -2.286 -2.025 1.00 52.34 H new ATOM 0 HD2 LYS A 74 -3.662 -0.398 -0.639 1.00 33.34 H new ATOM 0 HD3 LYS A 74 -1.920 -0.351 -0.455 1.00 33.34 H new ATOM 0 HE2 LYS A 74 -2.045 -0.264 -3.156 1.00 53.22 H new ATOM 0 HE3 LYS A 74 -3.609 0.442 -2.798 1.00 53.22 H new ATOM 0 HZ1 LYS A 74 -1.902 2.134 -2.971 1.00 61.43 H new ATOM 0 HZ2 LYS A 74 -2.512 2.086 -1.387 1.00 61.43 H new ATOM 0 HZ3 LYS A 74 -0.997 1.402 -1.735 1.00 61.43 H new ATOM 1226 N PHE A 75 -6.044 -0.794 -3.486 1.00 23.13 N ATOM 1227 CA PHE A 75 -6.549 0.441 -4.074 1.00 62.24 C ATOM 1228 C PHE A 75 -7.958 0.745 -3.574 1.00 41.13 C ATOM 1229 O PHE A 75 -8.325 1.905 -3.389 1.00 12.44 O ATOM 1230 CB PHE A 75 -6.548 0.340 -5.601 1.00 41.42 C ATOM 1231 CG PHE A 75 -7.912 0.114 -6.188 1.00 0.11 C ATOM 1232 CD1 PHE A 75 -8.731 1.186 -6.503 1.00 74.25 C ATOM 1233 CD2 PHE A 75 -8.375 -1.171 -6.423 1.00 41.52 C ATOM 1234 CE1 PHE A 75 -9.987 0.981 -7.044 1.00 11.12 C ATOM 1235 CE2 PHE A 75 -9.629 -1.381 -6.964 1.00 33.34 C ATOM 1236 CZ PHE A 75 -10.437 -0.304 -7.273 1.00 61.32 C ATOM 0 H PHE A 75 -5.986 -1.578 -4.136 1.00 23.13 H new ATOM 0 HA PHE A 75 -5.891 1.255 -3.770 1.00 62.24 H new ATOM 0 HB2 PHE A 75 -6.129 1.256 -6.017 1.00 41.42 H new ATOM 0 HB3 PHE A 75 -5.892 -0.476 -5.903 1.00 41.42 H new ATOM 0 HD1 PHE A 75 -8.385 2.193 -6.324 1.00 74.25 H new ATOM 0 HD2 PHE A 75 -7.749 -2.017 -6.181 1.00 41.52 H new ATOM 0 HE1 PHE A 75 -10.615 1.825 -7.287 1.00 11.12 H new ATOM 0 HE2 PHE A 75 -9.977 -2.387 -7.145 1.00 33.34 H new ATOM 0 HZ PHE A 75 -11.419 -0.467 -7.693 1.00 61.32 H new ATOM 1246 N ASP A 76 -8.742 -0.305 -3.359 1.00 73.20 N ATOM 1247 CA ASP A 76 -10.111 -0.152 -2.880 1.00 52.21 C ATOM 1248 C ASP A 76 -10.133 0.458 -1.482 1.00 45.30 C ATOM 1249 O ASP A 76 -10.857 1.419 -1.226 1.00 2.45 O ATOM 1250 CB ASP A 76 -10.825 -1.504 -2.871 1.00 35.22 C ATOM 1251 CG ASP A 76 -12.223 -1.417 -2.289 1.00 41.15 C ATOM 1252 OD1 ASP A 76 -12.891 -0.384 -2.505 1.00 31.33 O ATOM 1253 OD2 ASP A 76 -12.648 -2.381 -1.619 1.00 11.24 O ATOM 0 H ASP A 76 -8.453 -1.272 -3.509 1.00 73.20 H new ATOM 0 HA ASP A 76 -10.634 0.522 -3.559 1.00 52.21 H new ATOM 0 HB2 ASP A 76 -10.882 -1.888 -3.889 1.00 35.22 H new ATOM 0 HB3 ASP A 76 -10.238 -2.218 -2.293 1.00 35.22 H new ATOM 1258 N GLU A 77 -9.334 -0.108 -0.582 1.00 53.04 N ATOM 1259 CA GLU A 77 -9.264 0.380 0.790 1.00 61.20 C ATOM 1260 C GLU A 77 -8.632 1.768 0.842 1.00 32.13 C ATOM 1261 O GLU A 77 -9.155 2.675 1.487 1.00 13.44 O ATOM 1262 CB GLU A 77 -8.462 -0.591 1.659 1.00 4.32 C ATOM 1263 CG GLU A 77 -9.201 -1.880 1.974 1.00 73.24 C ATOM 1264 CD GLU A 77 -8.452 -2.757 2.958 1.00 35.04 C ATOM 1265 OE1 GLU A 77 -7.252 -3.015 2.729 1.00 52.23 O ATOM 1266 OE2 GLU A 77 -9.066 -3.186 3.958 1.00 51.51 O ATOM 0 H GLU A 77 -8.727 -0.904 -0.779 1.00 53.04 H new ATOM 0 HA GLU A 77 -10.281 0.448 1.177 1.00 61.20 H new ATOM 0 HB2 GLU A 77 -7.528 -0.833 1.152 1.00 4.32 H new ATOM 0 HB3 GLU A 77 -8.198 -0.096 2.594 1.00 4.32 H new ATOM 0 HG2 GLU A 77 -10.183 -1.641 2.381 1.00 73.24 H new ATOM 0 HG3 GLU A 77 -9.365 -2.435 1.050 1.00 73.24 H new ATOM 1273 N ASN A 78 -7.503 1.924 0.158 1.00 33.04 N ATOM 1274 CA ASN A 78 -6.799 3.201 0.127 1.00 23.54 C ATOM 1275 C ASN A 78 -7.699 4.306 -0.416 1.00 33.15 C ATOM 1276 O ASN A 78 -7.602 5.460 0.000 1.00 10.35 O ATOM 1277 CB ASN A 78 -5.536 3.089 -0.729 1.00 50.15 C ATOM 1278 CG ASN A 78 -4.638 4.304 -0.597 1.00 12.12 C ATOM 1279 OD1 ASN A 78 -4.015 4.519 0.443 1.00 32.20 O ATOM 1280 ND2 ASN A 78 -4.569 5.106 -1.653 1.00 5.11 N ATOM 0 H ASN A 78 -7.056 1.183 -0.382 1.00 33.04 H new ATOM 0 HA ASN A 78 -6.517 3.457 1.148 1.00 23.54 H new ATOM 0 HB2 ASN A 78 -4.981 2.197 -0.438 1.00 50.15 H new ATOM 0 HB3 ASN A 78 -5.819 2.961 -1.774 1.00 50.15 H new ATOM 0 HD21 ASN A 78 -3.982 5.940 -1.623 1.00 5.11 H new ATOM 0 HD22 ASN A 78 -5.103 4.888 -2.494 1.00 5.11 H new ATOM 1287 N SER A 79 -8.576 3.944 -1.347 1.00 21.44 N ATOM 1288 CA SER A 79 -9.492 4.905 -1.949 1.00 72.32 C ATOM 1289 C SER A 79 -10.638 5.233 -0.997 1.00 53.22 C ATOM 1290 O SER A 79 -11.059 6.385 -0.889 1.00 74.04 O ATOM 1291 CB SER A 79 -10.048 4.356 -3.265 1.00 31.14 C ATOM 1292 OG SER A 79 -10.983 3.317 -3.029 1.00 43.02 O ATOM 0 H SER A 79 -8.671 2.992 -1.701 1.00 21.44 H new ATOM 0 HA SER A 79 -8.937 5.821 -2.151 1.00 72.32 H new ATOM 0 HB2 SER A 79 -10.526 5.160 -3.825 1.00 31.14 H new ATOM 0 HB3 SER A 79 -9.230 3.981 -3.881 1.00 31.14 H new ATOM 0 HG SER A 79 -10.653 2.737 -2.311 1.00 43.02 H new ATOM 1298 N ARG A 80 -11.138 4.212 -0.309 1.00 13.33 N ATOM 1299 CA ARG A 80 -12.236 4.391 0.633 1.00 33.15 C ATOM 1300 C ARG A 80 -11.725 4.918 1.971 1.00 42.11 C ATOM 1301 O ARG A 80 -12.509 5.273 2.850 1.00 12.22 O ATOM 1302 CB ARG A 80 -12.976 3.069 0.844 1.00 73.43 C ATOM 1303 CG ARG A 80 -12.357 2.188 1.917 1.00 62.15 C ATOM 1304 CD ARG A 80 -13.087 2.329 3.243 1.00 21.30 C ATOM 1305 NE ARG A 80 -13.137 1.067 3.977 1.00 51.02 N ATOM 1306 CZ ARG A 80 -13.401 0.982 5.276 1.00 52.41 C ATOM 1307 NH1 ARG A 80 -13.638 2.080 5.980 1.00 11.25 N ATOM 1308 NH2 ARG A 80 -13.429 -0.202 5.873 1.00 72.43 N ATOM 0 H ARG A 80 -10.800 3.253 -0.386 1.00 13.33 H new ATOM 0 HA ARG A 80 -12.925 5.123 0.213 1.00 33.15 H new ATOM 0 HB2 ARG A 80 -14.011 3.281 1.112 1.00 73.43 H new ATOM 0 HB3 ARG A 80 -12.997 2.520 -0.097 1.00 73.43 H new ATOM 0 HG2 ARG A 80 -12.384 1.147 1.595 1.00 62.15 H new ATOM 0 HG3 ARG A 80 -11.308 2.454 2.048 1.00 62.15 H new ATOM 0 HD2 ARG A 80 -12.589 3.083 3.852 1.00 21.30 H new ATOM 0 HD3 ARG A 80 -14.102 2.684 3.062 1.00 21.30 H new ATOM 0 HE ARG A 80 -12.959 0.204 3.464 1.00 51.02 H new ATOM 0 HH11 ARG A 80 -13.618 2.992 5.524 1.00 11.25 H new ATOM 0 HH12 ARG A 80 -13.841 2.013 6.977 1.00 11.25 H new ATOM 0 HH21 ARG A 80 -13.248 -1.049 5.335 1.00 72.43 H new ATOM 0 HH22 ARG A 80 -13.632 -0.265 6.871 1.00 72.43 H new ATOM 1322 N MET A 81 -10.405 4.965 2.117 1.00 44.34 N ATOM 1323 CA MET A 81 -9.789 5.450 3.347 1.00 63.44 C ATOM 1324 C MET A 81 -10.528 6.672 3.880 1.00 53.51 C ATOM 1325 O MET A 81 -11.060 7.471 3.109 1.00 0.45 O ATOM 1326 CB MET A 81 -8.318 5.794 3.104 1.00 1.14 C ATOM 1327 CG MET A 81 -7.369 4.641 3.388 1.00 30.12 C ATOM 1328 SD MET A 81 -7.301 4.212 5.138 1.00 1.12 S ATOM 1329 CE MET A 81 -7.672 2.461 5.072 1.00 11.14 C ATOM 0 H MET A 81 -9.741 4.673 1.399 1.00 44.34 H new ATOM 0 HA MET A 81 -9.851 4.657 4.092 1.00 63.44 H new ATOM 0 HB2 MET A 81 -8.194 6.109 2.068 1.00 1.14 H new ATOM 0 HB3 MET A 81 -8.044 6.642 3.731 1.00 1.14 H new ATOM 0 HG2 MET A 81 -7.683 3.768 2.816 1.00 30.12 H new ATOM 0 HG3 MET A 81 -6.369 4.905 3.044 1.00 30.12 H new ATOM 0 HE1 MET A 81 -7.667 2.050 6.081 1.00 11.14 H new ATOM 0 HE2 MET A 81 -8.655 2.314 4.625 1.00 11.14 H new ATOM 0 HE3 MET A 81 -6.920 1.952 4.469 1.00 11.14 H new ATOM 1339 N GLN A 82 -10.558 6.811 5.201 1.00 23.04 N ATOM 1340 CA GLN A 82 -11.233 7.936 5.836 1.00 14.42 C ATOM 1341 C GLN A 82 -10.565 9.255 5.460 1.00 33.13 C ATOM 1342 O GLN A 82 -9.416 9.276 5.019 1.00 0.20 O ATOM 1343 CB GLN A 82 -11.234 7.767 7.356 1.00 30.44 C ATOM 1344 CG GLN A 82 -11.844 6.454 7.822 1.00 52.33 C ATOM 1345 CD GLN A 82 -12.064 6.412 9.321 1.00 12.21 C ATOM 1346 OE1 GLN A 82 -11.238 5.885 10.067 1.00 50.42 O ATOM 1347 NE2 GLN A 82 -13.183 6.969 9.771 1.00 24.34 N ATOM 0 H GLN A 82 -10.122 6.158 5.853 1.00 23.04 H new ATOM 0 HA GLN A 82 -12.263 7.956 5.479 1.00 14.42 H new ATOM 0 HB2 GLN A 82 -10.209 7.832 7.721 1.00 30.44 H new ATOM 0 HB3 GLN A 82 -11.785 8.594 7.805 1.00 30.44 H new ATOM 0 HG2 GLN A 82 -12.796 6.300 7.314 1.00 52.33 H new ATOM 0 HG3 GLN A 82 -11.191 5.631 7.531 1.00 52.33 H new ATOM 0 HE21 GLN A 82 -13.840 7.395 9.117 1.00 24.34 H new ATOM 0 HE22 GLN A 82 -13.385 6.971 10.771 1.00 24.34 H new ATOM 1356 N TYR A 83 -11.292 10.352 5.637 1.00 14.35 N ATOM 1357 CA TYR A 83 -10.771 11.675 5.314 1.00 10.01 C ATOM 1358 C TYR A 83 -9.518 11.981 6.128 1.00 25.53 C ATOM 1359 O TYR A 83 -8.593 12.634 5.644 1.00 31.53 O ATOM 1360 CB TYR A 83 -11.835 12.743 5.574 1.00 4.03 C ATOM 1361 CG TYR A 83 -12.273 13.477 4.327 1.00 12.35 C ATOM 1362 CD1 TYR A 83 -11.340 14.010 3.447 1.00 53.42 C ATOM 1363 CD2 TYR A 83 -13.621 13.637 4.030 1.00 71.13 C ATOM 1364 CE1 TYR A 83 -11.737 14.683 2.307 1.00 62.41 C ATOM 1365 CE2 TYR A 83 -14.027 14.306 2.891 1.00 3.43 C ATOM 1366 CZ TYR A 83 -13.081 14.828 2.033 1.00 21.24 C ATOM 1367 OH TYR A 83 -13.480 15.495 0.898 1.00 2.53 O ATOM 0 H TYR A 83 -12.244 10.352 6.003 1.00 14.35 H new ATOM 0 HA TYR A 83 -10.507 11.685 4.257 1.00 10.01 H new ATOM 0 HB2 TYR A 83 -12.705 12.273 6.033 1.00 4.03 H new ATOM 0 HB3 TYR A 83 -11.446 13.464 6.292 1.00 4.03 H new ATOM 0 HD1 TYR A 83 -10.287 13.897 3.657 1.00 53.42 H new ATOM 0 HD2 TYR A 83 -14.364 13.232 4.701 1.00 71.13 H new ATOM 0 HE1 TYR A 83 -10.999 15.093 1.634 1.00 62.41 H new ATOM 0 HE2 TYR A 83 -15.079 14.420 2.674 1.00 3.43 H new ATOM 0 HH TYR A 83 -14.459 15.508 0.853 1.00 2.53 H new ATOM 1377 N SER A 84 -9.494 11.502 7.368 1.00 12.54 N ATOM 1378 CA SER A 84 -8.356 11.726 8.253 1.00 55.24 C ATOM 1379 C SER A 84 -7.056 11.290 7.585 1.00 23.12 C ATOM 1380 O SER A 84 -6.091 12.051 7.527 1.00 25.22 O ATOM 1381 CB SER A 84 -8.548 10.967 9.567 1.00 11.10 C ATOM 1382 OG SER A 84 -9.908 10.973 9.966 1.00 60.13 O ATOM 0 H SER A 84 -10.249 10.956 7.783 1.00 12.54 H new ATOM 0 HA SER A 84 -8.295 12.794 8.465 1.00 55.24 H new ATOM 0 HB2 SER A 84 -8.205 9.939 9.450 1.00 11.10 H new ATOM 0 HB3 SER A 84 -7.935 11.421 10.346 1.00 11.10 H new ATOM 0 HG SER A 84 -10.004 10.480 10.807 1.00 60.13 H new ATOM 1388 N GLU A 85 -7.039 10.059 7.083 1.00 14.11 N ATOM 1389 CA GLU A 85 -5.857 9.521 6.420 1.00 32.24 C ATOM 1390 C GLU A 85 -5.714 10.094 5.013 1.00 30.43 C ATOM 1391 O GLU A 85 -4.603 10.259 4.508 1.00 1.11 O ATOM 1392 CB GLU A 85 -5.932 7.994 6.356 1.00 32.12 C ATOM 1393 CG GLU A 85 -4.579 7.312 6.477 1.00 54.54 C ATOM 1394 CD GLU A 85 -4.073 7.269 7.905 1.00 34.33 C ATOM 1395 OE1 GLU A 85 -4.264 8.265 8.634 1.00 70.23 O ATOM 1396 OE2 GLU A 85 -3.487 6.237 8.295 1.00 43.22 O ATOM 0 H GLU A 85 -7.830 9.416 7.123 1.00 14.11 H new ATOM 0 HA GLU A 85 -4.982 9.811 7.002 1.00 32.24 H new ATOM 0 HB2 GLU A 85 -6.582 7.637 7.155 1.00 32.12 H new ATOM 0 HB3 GLU A 85 -6.394 7.701 5.414 1.00 32.12 H new ATOM 0 HG2 GLU A 85 -4.653 6.295 6.091 1.00 54.54 H new ATOM 0 HG3 GLU A 85 -3.855 7.837 5.855 1.00 54.54 H new ATOM 1403 N LEU A 86 -6.845 10.394 4.385 1.00 35.24 N ATOM 1404 CA LEU A 86 -6.848 10.948 3.036 1.00 62.22 C ATOM 1405 C LEU A 86 -6.134 12.295 2.999 1.00 0.32 C ATOM 1406 O LEU A 86 -5.363 12.575 2.082 1.00 41.41 O ATOM 1407 CB LEU A 86 -8.283 11.104 2.530 1.00 41.11 C ATOM 1408 CG LEU A 86 -8.552 10.604 1.110 1.00 34.33 C ATOM 1409 CD1 LEU A 86 -7.706 11.369 0.105 1.00 52.21 C ATOM 1410 CD2 LEU A 86 -8.281 9.110 1.011 1.00 62.31 C ATOM 0 H LEU A 86 -7.773 10.263 4.789 1.00 35.24 H new ATOM 0 HA LEU A 86 -6.313 10.256 2.385 1.00 62.22 H new ATOM 0 HB2 LEU A 86 -8.947 10.574 3.212 1.00 41.11 H new ATOM 0 HB3 LEU A 86 -8.552 12.159 2.579 1.00 41.11 H new ATOM 0 HG LEU A 86 -9.602 10.779 0.877 1.00 34.33 H new ATOM 0 HD11 LEU A 86 -7.911 10.999 -0.900 1.00 52.21 H new ATOM 0 HD12 LEU A 86 -7.949 12.430 0.158 1.00 52.21 H new ATOM 0 HD13 LEU A 86 -6.650 11.227 0.335 1.00 52.21 H new ATOM 0 HD21 LEU A 86 -8.478 8.771 -0.006 1.00 62.31 H new ATOM 0 HD22 LEU A 86 -7.240 8.912 1.265 1.00 62.31 H new ATOM 0 HD23 LEU A 86 -8.931 8.576 1.703 1.00 62.31 H new ATOM 1422 N MET A 87 -6.395 13.125 4.004 1.00 31.00 N ATOM 1423 CA MET A 87 -5.775 14.442 4.088 1.00 25.01 C ATOM 1424 C MET A 87 -4.384 14.349 4.709 1.00 15.43 C ATOM 1425 O MET A 87 -3.498 15.144 4.395 1.00 42.12 O ATOM 1426 CB MET A 87 -6.650 15.391 4.909 1.00 75.43 C ATOM 1427 CG MET A 87 -7.369 16.434 4.069 1.00 45.34 C ATOM 1428 SD MET A 87 -8.367 15.703 2.757 1.00 11.32 S ATOM 1429 CE MET A 87 -7.298 15.949 1.341 1.00 14.20 C ATOM 0 H MET A 87 -7.031 12.909 4.771 1.00 31.00 H new ATOM 0 HA MET A 87 -5.677 14.835 3.076 1.00 25.01 H new ATOM 0 HB2 MET A 87 -7.388 14.807 5.459 1.00 75.43 H new ATOM 0 HB3 MET A 87 -6.029 15.897 5.648 1.00 75.43 H new ATOM 0 HG2 MET A 87 -8.009 17.036 4.714 1.00 45.34 H new ATOM 0 HG3 MET A 87 -6.635 17.109 3.629 1.00 45.34 H new ATOM 0 HE1 MET A 87 -7.899 15.975 0.432 1.00 14.20 H new ATOM 0 HE2 MET A 87 -6.762 16.892 1.449 1.00 14.20 H new ATOM 0 HE3 MET A 87 -6.582 15.130 1.279 1.00 14.20 H new ATOM 1439 N THR A 88 -4.200 13.374 5.594 1.00 50.11 N ATOM 1440 CA THR A 88 -2.919 13.179 6.260 1.00 23.22 C ATOM 1441 C THR A 88 -1.862 12.677 5.283 1.00 22.21 C ATOM 1442 O THR A 88 -0.759 13.219 5.212 1.00 1.52 O ATOM 1443 CB THR A 88 -3.039 12.180 7.427 1.00 45.21 C ATOM 1444 OG1 THR A 88 -3.811 12.755 8.487 1.00 40.34 O ATOM 1445 CG2 THR A 88 -1.664 11.790 7.949 1.00 41.04 C ATOM 0 H THR A 88 -4.922 12.707 5.866 1.00 50.11 H new ATOM 0 HA THR A 88 -2.616 14.150 6.652 1.00 23.22 H new ATOM 0 HB THR A 88 -3.539 11.284 7.059 1.00 45.21 H new ATOM 0 HG1 THR A 88 -4.716 12.380 8.473 1.00 40.34 H new ATOM 0 HG21 THR A 88 -1.774 11.084 8.772 1.00 41.04 H new ATOM 0 HG22 THR A 88 -1.089 11.326 7.148 1.00 41.04 H new ATOM 0 HG23 THR A 88 -1.143 12.680 8.301 1.00 41.04 H new ATOM 1453 N LYS A 89 -2.205 11.637 4.530 1.00 51.40 N ATOM 1454 CA LYS A 89 -1.287 11.062 3.554 1.00 2.33 C ATOM 1455 C LYS A 89 -1.068 12.017 2.385 1.00 62.32 C ATOM 1456 O LYS A 89 -0.209 11.784 1.534 1.00 5.40 O ATOM 1457 CB LYS A 89 -1.827 9.725 3.041 1.00 2.53 C ATOM 1458 CG LYS A 89 -0.800 8.606 3.063 1.00 13.12 C ATOM 1459 CD LYS A 89 -0.783 7.892 4.404 1.00 31.41 C ATOM 1460 CE LYS A 89 0.304 8.442 5.315 1.00 34.10 C ATOM 1461 NZ LYS A 89 1.666 8.085 4.831 1.00 1.04 N ATOM 0 H LYS A 89 -3.113 11.175 4.577 1.00 51.40 H new ATOM 0 HA LYS A 89 -0.330 10.894 4.047 1.00 2.33 H new ATOM 0 HB2 LYS A 89 -2.684 9.432 3.647 1.00 2.53 H new ATOM 0 HB3 LYS A 89 -2.188 9.856 2.021 1.00 2.53 H new ATOM 0 HG2 LYS A 89 -1.023 7.891 2.272 1.00 13.12 H new ATOM 0 HG3 LYS A 89 0.189 9.014 2.854 1.00 13.12 H new ATOM 0 HD2 LYS A 89 -1.754 8.001 4.888 1.00 31.41 H new ATOM 0 HD3 LYS A 89 -0.623 6.825 4.247 1.00 31.41 H new ATOM 0 HE2 LYS A 89 0.213 9.526 5.376 1.00 34.10 H new ATOM 0 HE3 LYS A 89 0.164 8.053 6.324 1.00 34.10 H new ATOM 0 HZ1 LYS A 89 2.340 8.135 5.622 1.00 1.04 H new ATOM 0 HZ2 LYS A 89 1.655 7.119 4.445 1.00 1.04 H new ATOM 0 HZ3 LYS A 89 1.956 8.752 4.087 1.00 1.04 H new ATOM 1475 N TYR A 90 -1.849 13.091 2.349 1.00 24.35 N ATOM 1476 CA TYR A 90 -1.740 14.080 1.284 1.00 72.34 C ATOM 1477 C TYR A 90 -0.955 15.301 1.751 1.00 25.14 C ATOM 1478 O TYR A 90 -0.092 15.810 1.036 1.00 45.24 O ATOM 1479 CB TYR A 90 -3.131 14.505 0.811 1.00 73.15 C ATOM 1480 CG TYR A 90 -3.132 15.785 0.006 1.00 12.21 C ATOM 1481 CD1 TYR A 90 -2.191 16.002 -0.993 1.00 23.43 C ATOM 1482 CD2 TYR A 90 -4.074 16.779 0.245 1.00 25.43 C ATOM 1483 CE1 TYR A 90 -2.187 17.170 -1.730 1.00 11.12 C ATOM 1484 CE2 TYR A 90 -4.078 17.949 -0.488 1.00 14.42 C ATOM 1485 CZ TYR A 90 -3.133 18.141 -1.474 1.00 32.40 C ATOM 1486 OH TYR A 90 -3.134 19.306 -2.205 1.00 42.25 O ATOM 0 H TYR A 90 -2.565 13.299 3.046 1.00 24.35 H new ATOM 0 HA TYR A 90 -1.204 13.623 0.452 1.00 72.34 H new ATOM 0 HB2 TYR A 90 -3.560 13.706 0.207 1.00 73.15 H new ATOM 0 HB3 TYR A 90 -3.778 14.631 1.679 1.00 73.15 H new ATOM 0 HD1 TYR A 90 -1.449 15.244 -1.197 1.00 23.43 H new ATOM 0 HD2 TYR A 90 -4.815 16.634 1.017 1.00 25.43 H new ATOM 0 HE1 TYR A 90 -1.448 17.322 -2.502 1.00 11.12 H new ATOM 0 HE2 TYR A 90 -4.818 18.710 -0.290 1.00 14.42 H new ATOM 0 HH TYR A 90 -3.865 19.883 -1.900 1.00 42.25 H new ATOM 1496 N HIS A 91 -1.260 15.766 2.959 1.00 64.22 N ATOM 1497 CA HIS A 91 -0.582 16.927 3.525 1.00 62.23 C ATOM 1498 C HIS A 91 0.606 16.498 4.382 1.00 53.44 C ATOM 1499 O HIS A 91 1.736 16.929 4.152 1.00 22.44 O ATOM 1500 CB HIS A 91 -1.557 17.755 4.362 1.00 40.34 C ATOM 1501 CG HIS A 91 -0.894 18.838 5.156 1.00 12.12 C ATOM 1502 ND1 HIS A 91 -0.725 18.772 6.523 1.00 11.41 N ATOM 1503 CD2 HIS A 91 -0.356 20.018 4.768 1.00 24.32 C ATOM 1504 CE1 HIS A 91 -0.113 19.866 6.942 1.00 63.42 C ATOM 1505 NE2 HIS A 91 0.123 20.637 5.896 1.00 0.53 N ATOM 0 H HIS A 91 -1.972 15.357 3.564 1.00 64.22 H new ATOM 0 HA HIS A 91 -0.212 17.538 2.702 1.00 62.23 H new ATOM 0 HB2 HIS A 91 -2.300 18.203 3.702 1.00 40.34 H new ATOM 0 HB3 HIS A 91 -2.092 17.093 5.042 1.00 40.34 H new ATOM 0 HD2 HIS A 91 -0.312 20.401 3.759 1.00 24.32 H new ATOM 0 HE1 HIS A 91 0.149 20.091 7.965 1.00 63.42 H new ATOM 0 HE2 HIS A 91 0.586 21.545 5.922 1.00 0.53 H new ATOM 1513 N ASP A 92 0.341 15.650 5.369 1.00 50.10 N ATOM 1514 CA ASP A 92 1.388 15.163 6.260 1.00 13.31 C ATOM 1515 C ASP A 92 2.512 14.503 5.468 1.00 32.22 C ATOM 1516 O ASP A 92 3.637 14.376 5.954 1.00 14.10 O ATOM 1517 CB ASP A 92 0.807 14.172 7.270 1.00 63.34 C ATOM 1518 CG ASP A 92 1.237 14.475 8.692 1.00 72.15 C ATOM 1519 OD1 ASP A 92 1.164 15.655 9.095 1.00 64.22 O ATOM 1520 OD2 ASP A 92 1.645 13.532 9.401 1.00 15.15 O ATOM 0 H ASP A 92 -0.590 15.285 5.573 1.00 50.10 H new ATOM 0 HA ASP A 92 1.801 16.017 6.797 1.00 13.31 H new ATOM 0 HB2 ASP A 92 -0.281 14.193 7.210 1.00 63.34 H new ATOM 0 HB3 ASP A 92 1.121 13.162 7.006 1.00 63.34 H new ATOM 1525 N LEU A 93 2.200 14.083 4.247 1.00 25.30 N ATOM 1526 CA LEU A 93 3.184 13.434 3.387 1.00 21.32 C ATOM 1527 C LEU A 93 4.267 14.419 2.959 1.00 61.32 C ATOM 1528 O LEU A 93 5.272 14.032 2.362 1.00 5.42 O ATOM 1529 CB LEU A 93 2.501 12.841 2.154 1.00 55.44 C ATOM 1530 CG LEU A 93 2.679 11.337 1.945 1.00 51.24 C ATOM 1531 CD1 LEU A 93 2.268 10.942 0.535 1.00 71.22 C ATOM 1532 CD2 LEU A 93 4.119 10.928 2.217 1.00 40.01 C ATOM 0 H LEU A 93 1.274 14.180 3.830 1.00 25.30 H new ATOM 0 HA LEU A 93 3.653 12.631 3.955 1.00 21.32 H new ATOM 0 HB2 LEU A 93 1.434 13.055 2.217 1.00 55.44 H new ATOM 0 HB3 LEU A 93 2.878 13.357 1.271 1.00 55.44 H new ATOM 0 HG LEU A 93 2.034 10.812 2.650 1.00 51.24 H new ATOM 0 HD11 LEU A 93 2.401 9.868 0.404 1.00 71.22 H new ATOM 0 HD12 LEU A 93 1.221 11.200 0.376 1.00 71.22 H new ATOM 0 HD13 LEU A 93 2.887 11.475 -0.187 1.00 71.22 H new ATOM 0 HD21 LEU A 93 4.227 9.854 2.063 1.00 40.01 H new ATOM 0 HD22 LEU A 93 4.783 11.461 1.537 1.00 40.01 H new ATOM 0 HD23 LEU A 93 4.379 11.175 3.246 1.00 40.01 H new ATOM 1544 N LYS A 94 4.056 15.693 3.269 1.00 43.41 N ATOM 1545 CA LYS A 94 5.015 16.735 2.920 1.00 62.11 C ATOM 1546 C LYS A 94 6.441 16.285 3.222 1.00 41.10 C ATOM 1547 O LYS A 94 7.365 16.560 2.456 1.00 23.33 O ATOM 1548 CB LYS A 94 4.702 18.022 3.686 1.00 42.43 C ATOM 1549 CG LYS A 94 4.431 19.215 2.785 1.00 3.12 C ATOM 1550 CD LYS A 94 2.947 19.375 2.502 1.00 31.44 C ATOM 1551 CE LYS A 94 2.410 18.218 1.673 1.00 20.14 C ATOM 1552 NZ LYS A 94 2.908 18.263 0.271 1.00 62.52 N ATOM 0 H LYS A 94 3.229 16.030 3.762 1.00 43.41 H new ATOM 0 HA LYS A 94 4.932 16.927 1.850 1.00 62.11 H new ATOM 0 HB2 LYS A 94 3.834 17.854 4.323 1.00 42.43 H new ATOM 0 HB3 LYS A 94 5.539 18.256 4.343 1.00 42.43 H new ATOM 0 HG2 LYS A 94 4.812 20.121 3.256 1.00 3.12 H new ATOM 0 HG3 LYS A 94 4.970 19.092 1.846 1.00 3.12 H new ATOM 0 HD2 LYS A 94 2.400 19.434 3.443 1.00 31.44 H new ATOM 0 HD3 LYS A 94 2.775 20.313 1.974 1.00 31.44 H new ATOM 0 HE2 LYS A 94 2.704 17.274 2.133 1.00 20.14 H new ATOM 0 HE3 LYS A 94 1.320 18.246 1.673 1.00 20.14 H new ATOM 0 HZ1 LYS A 94 2.393 17.565 -0.303 1.00 62.52 H new ATOM 0 HZ2 LYS A 94 2.756 19.214 -0.121 1.00 62.52 H new ATOM 0 HZ3 LYS A 94 3.924 18.041 0.256 1.00 62.52 H new ATOM 1566 N LYS A 95 6.613 15.591 4.342 1.00 51.11 N ATOM 1567 CA LYS A 95 7.925 15.100 4.745 1.00 44.14 C ATOM 1568 C LYS A 95 8.593 14.335 3.606 1.00 34.55 C ATOM 1569 O LYS A 95 9.733 14.619 3.240 1.00 14.05 O ATOM 1570 CB LYS A 95 7.800 14.199 5.975 1.00 21.21 C ATOM 1571 CG LYS A 95 9.020 14.231 6.879 1.00 23.50 C ATOM 1572 CD LYS A 95 9.193 15.590 7.536 1.00 73.14 C ATOM 1573 CE LYS A 95 10.638 16.059 7.475 1.00 24.45 C ATOM 1574 NZ LYS A 95 11.520 15.254 8.366 1.00 70.44 N ATOM 0 H LYS A 95 5.859 15.356 4.987 1.00 51.11 H new ATOM 0 HA LYS A 95 8.546 15.960 4.995 1.00 44.14 H new ATOM 0 HB2 LYS A 95 6.925 14.502 6.549 1.00 21.21 H new ATOM 0 HB3 LYS A 95 7.627 13.174 5.648 1.00 21.21 H new ATOM 0 HG2 LYS A 95 8.924 13.464 7.648 1.00 23.50 H new ATOM 0 HG3 LYS A 95 9.911 13.991 6.298 1.00 23.50 H new ATOM 0 HD2 LYS A 95 8.552 16.319 7.041 1.00 73.14 H new ATOM 0 HD3 LYS A 95 8.870 15.536 8.576 1.00 73.14 H new ATOM 0 HE2 LYS A 95 10.999 15.991 6.449 1.00 24.45 H new ATOM 0 HE3 LYS A 95 10.692 17.109 7.763 1.00 24.45 H new ATOM 0 HZ1 LYS A 95 12.497 15.604 8.296 1.00 70.44 H new ATOM 0 HZ2 LYS A 95 11.191 15.339 9.349 1.00 70.44 H new ATOM 0 HZ3 LYS A 95 11.489 14.256 8.076 1.00 70.44 H new ATOM 1588 N GLN A 96 7.874 13.364 3.051 1.00 41.21 N ATOM 1589 CA GLN A 96 8.398 12.559 1.954 1.00 54.13 C ATOM 1590 C GLN A 96 8.525 13.390 0.681 1.00 34.11 C ATOM 1591 O GLN A 96 9.387 13.132 -0.157 1.00 63.01 O ATOM 1592 CB GLN A 96 7.492 11.353 1.701 1.00 32.31 C ATOM 1593 CG GLN A 96 7.193 10.543 2.953 1.00 43.23 C ATOM 1594 CD GLN A 96 8.434 9.902 3.543 1.00 50.41 C ATOM 1595 OE1 GLN A 96 9.243 9.313 2.826 1.00 61.21 O ATOM 1596 NE2 GLN A 96 8.591 10.015 4.857 1.00 73.33 N ATOM 0 H GLN A 96 6.929 13.116 3.343 1.00 41.21 H new ATOM 0 HA GLN A 96 9.390 12.207 2.237 1.00 54.13 H new ATOM 0 HB2 GLN A 96 6.553 11.699 1.269 1.00 32.31 H new ATOM 0 HB3 GLN A 96 7.963 10.704 0.962 1.00 32.31 H new ATOM 0 HG2 GLN A 96 6.733 11.191 3.699 1.00 43.23 H new ATOM 0 HG3 GLN A 96 6.466 9.767 2.714 1.00 43.23 H new ATOM 0 HE21 GLN A 96 7.895 10.512 5.413 1.00 73.33 H new ATOM 0 HE22 GLN A 96 9.407 9.605 5.310 1.00 73.33 H new ATOM 1605 N GLY A 97 7.658 14.389 0.543 1.00 1.14 N ATOM 1606 CA GLY A 97 7.690 15.242 -0.630 1.00 40.31 C ATOM 1607 C GLY A 97 6.344 15.873 -0.925 1.00 74.12 C ATOM 1608 O GLY A 97 5.427 15.811 -0.105 1.00 60.25 O ATOM 0 H GLY A 97 6.934 14.622 1.223 1.00 1.14 H new ATOM 0 HA2 GLY A 97 8.432 16.027 -0.484 1.00 40.31 H new ATOM 0 HA3 GLY A 97 8.010 14.657 -1.492 1.00 40.31 H new ATOM 1612 N LYS A 98 6.223 16.484 -2.099 1.00 32.11 N ATOM 1613 CA LYS A 98 4.979 17.130 -2.501 1.00 61.23 C ATOM 1614 C LYS A 98 4.273 16.323 -3.586 1.00 64.15 C ATOM 1615 O LYS A 98 4.655 15.188 -3.876 1.00 54.30 O ATOM 1616 CB LYS A 98 5.257 18.548 -3.005 1.00 15.13 C ATOM 1617 CG LYS A 98 6.080 18.591 -4.280 1.00 72.44 C ATOM 1618 CD LYS A 98 5.561 19.645 -5.244 1.00 60.30 C ATOM 1619 CE LYS A 98 6.650 20.637 -5.624 1.00 34.23 C ATOM 1620 NZ LYS A 98 6.546 21.900 -4.842 1.00 51.12 N ATOM 0 H LYS A 98 6.972 16.545 -2.789 1.00 32.11 H new ATOM 0 HA LYS A 98 4.327 17.182 -1.629 1.00 61.23 H new ATOM 0 HB2 LYS A 98 4.308 19.055 -3.178 1.00 15.13 H new ATOM 0 HB3 LYS A 98 5.779 19.105 -2.227 1.00 15.13 H new ATOM 0 HG2 LYS A 98 7.121 18.802 -4.035 1.00 72.44 H new ATOM 0 HG3 LYS A 98 6.057 17.613 -4.762 1.00 72.44 H new ATOM 0 HD2 LYS A 98 5.179 19.161 -6.143 1.00 60.30 H new ATOM 0 HD3 LYS A 98 4.726 20.177 -4.788 1.00 60.30 H new ATOM 0 HE2 LYS A 98 7.628 20.185 -5.456 1.00 34.23 H new ATOM 0 HE3 LYS A 98 6.581 20.862 -6.688 1.00 34.23 H new ATOM 0 HZ1 LYS A 98 7.305 22.550 -5.130 1.00 51.12 H new ATOM 0 HZ2 LYS A 98 5.623 22.344 -5.022 1.00 51.12 H new ATOM 0 HZ3 LYS A 98 6.637 21.689 -3.828 1.00 51.12 H new ATOM 1634 N ILE A 99 3.245 16.916 -4.184 1.00 30.54 N ATOM 1635 CA ILE A 99 2.489 16.252 -5.238 1.00 52.04 C ATOM 1636 C ILE A 99 2.452 17.100 -6.505 1.00 54.30 C ATOM 1637 O ILE A 99 2.860 18.262 -6.500 1.00 62.33 O ATOM 1638 CB ILE A 99 1.045 15.952 -4.793 1.00 25.33 C ATOM 1639 CG1 ILE A 99 0.272 17.255 -4.580 1.00 64.14 C ATOM 1640 CG2 ILE A 99 1.047 15.117 -3.521 1.00 32.03 C ATOM 1641 CD1 ILE A 99 -1.159 17.195 -5.066 1.00 63.45 C ATOM 0 H ILE A 99 2.917 17.855 -3.956 1.00 30.54 H new ATOM 0 HA ILE A 99 2.999 15.311 -5.447 1.00 52.04 H new ATOM 0 HB ILE A 99 0.549 15.382 -5.579 1.00 25.33 H new ATOM 0 HG12 ILE A 99 0.277 17.501 -3.518 1.00 64.14 H new ATOM 0 HG13 ILE A 99 0.789 18.063 -5.097 1.00 64.14 H new ATOM 0 HG21 ILE A 99 0.020 14.913 -3.218 1.00 32.03 H new ATOM 0 HG22 ILE A 99 1.565 14.176 -3.704 1.00 32.03 H new ATOM 0 HG23 ILE A 99 1.557 15.664 -2.728 1.00 32.03 H new ATOM 0 HD11 ILE A 99 -1.646 18.153 -4.883 1.00 63.45 H new ATOM 0 HD12 ILE A 99 -1.172 16.980 -6.134 1.00 63.45 H new ATOM 0 HD13 ILE A 99 -1.692 16.409 -4.531 1.00 63.45 H new ATOM 1653 N LYS A 100 1.957 16.513 -7.589 1.00 41.05 N ATOM 1654 CA LYS A 100 1.863 17.214 -8.864 1.00 55.43 C ATOM 1655 C LYS A 100 0.436 17.175 -9.402 1.00 52.14 C ATOM 1656 O LYS A 100 -0.246 16.154 -9.307 1.00 43.20 O ATOM 1657 CB LYS A 100 2.821 16.594 -9.884 1.00 34.14 C ATOM 1658 CG LYS A 100 4.215 16.345 -9.335 1.00 32.34 C ATOM 1659 CD LYS A 100 5.288 16.774 -10.321 1.00 75.15 C ATOM 1660 CE LYS A 100 5.552 18.270 -10.242 1.00 32.41 C ATOM 1661 NZ LYS A 100 6.844 18.640 -10.884 1.00 34.51 N ATOM 0 H LYS A 100 1.614 15.553 -7.610 1.00 41.05 H new ATOM 0 HA LYS A 100 2.143 18.254 -8.699 1.00 55.43 H new ATOM 0 HB2 LYS A 100 2.404 15.650 -10.235 1.00 34.14 H new ATOM 0 HB3 LYS A 100 2.893 17.252 -10.750 1.00 34.14 H new ATOM 0 HG2 LYS A 100 4.341 16.890 -8.399 1.00 32.34 H new ATOM 0 HG3 LYS A 100 4.333 15.286 -9.106 1.00 32.34 H new ATOM 0 HD2 LYS A 100 6.210 16.230 -10.117 1.00 75.15 H new ATOM 0 HD3 LYS A 100 4.980 16.511 -11.333 1.00 75.15 H new ATOM 0 HE2 LYS A 100 4.738 18.809 -10.727 1.00 32.41 H new ATOM 0 HE3 LYS A 100 5.563 18.582 -9.198 1.00 32.41 H new ATOM 0 HZ1 LYS A 100 6.987 19.667 -10.809 1.00 34.51 H new ATOM 0 HZ2 LYS A 100 7.624 18.146 -10.405 1.00 34.51 H new ATOM 0 HZ3 LYS A 100 6.825 18.365 -11.887 1.00 34.51 H new ATOM 1675 N ASP A 101 -0.009 18.291 -9.969 1.00 0.55 N ATOM 1676 CA ASP A 101 -1.354 18.383 -10.524 1.00 50.54 C ATOM 1677 C ASP A 101 -1.309 18.459 -12.047 1.00 44.44 C ATOM 1678 O ASP A 101 -1.279 19.547 -12.624 1.00 31.22 O ATOM 1679 CB ASP A 101 -2.079 19.607 -9.962 1.00 2.22 C ATOM 1680 CG ASP A 101 -3.447 19.806 -10.584 1.00 10.43 C ATOM 1681 OD1 ASP A 101 -4.417 19.193 -10.092 1.00 22.40 O ATOM 1682 OD2 ASP A 101 -3.548 20.575 -11.563 1.00 1.43 O ATOM 0 H ASP A 101 0.542 19.145 -10.056 1.00 0.55 H new ATOM 0 HA ASP A 101 -1.900 17.484 -10.238 1.00 50.54 H new ATOM 0 HB2 ASP A 101 -2.186 19.498 -8.883 1.00 2.22 H new ATOM 0 HB3 ASP A 101 -1.472 20.496 -10.134 1.00 2.22 H new ATOM 1687 N ARG A 102 -1.302 17.298 -12.693 1.00 32.43 N ATOM 1688 CA ARG A 102 -1.258 17.233 -14.148 1.00 61.45 C ATOM 1689 C ARG A 102 -2.595 17.652 -14.752 1.00 70.24 C ATOM 1690 O ARG A 102 -3.649 17.538 -14.127 1.00 75.22 O ATOM 1691 CB ARG A 102 -0.901 15.817 -14.606 1.00 43.34 C ATOM 1692 CG ARG A 102 0.472 15.714 -15.252 1.00 14.05 C ATOM 1693 CD ARG A 102 0.410 14.971 -16.577 1.00 33.12 C ATOM 1694 NE ARG A 102 1.552 15.282 -17.433 1.00 34.24 N ATOM 1695 CZ ARG A 102 2.746 14.715 -17.299 1.00 53.41 C ATOM 1696 NH1 ARG A 102 2.953 13.813 -16.350 1.00 11.43 N ATOM 1697 NH2 ARG A 102 3.735 15.051 -18.117 1.00 25.42 N ATOM 0 H ARG A 102 -1.326 16.389 -12.231 1.00 32.43 H new ATOM 0 HA ARG A 102 -0.490 17.924 -14.494 1.00 61.45 H new ATOM 0 HB2 ARG A 102 -0.941 15.146 -13.748 1.00 43.34 H new ATOM 0 HB3 ARG A 102 -1.654 15.473 -15.315 1.00 43.34 H new ATOM 0 HG2 ARG A 102 0.876 16.714 -15.413 1.00 14.05 H new ATOM 0 HG3 ARG A 102 1.155 15.199 -14.577 1.00 14.05 H new ATOM 0 HD2 ARG A 102 0.379 13.898 -16.390 1.00 33.12 H new ATOM 0 HD3 ARG A 102 -0.513 15.231 -17.095 1.00 33.12 H new ATOM 0 HE ARG A 102 1.426 15.972 -18.174 1.00 34.24 H new ATOM 0 HH11 ARG A 102 2.194 13.552 -15.720 1.00 11.43 H new ATOM 0 HH12 ARG A 102 3.871 13.380 -16.250 1.00 11.43 H new ATOM 0 HH21 ARG A 102 3.579 15.744 -18.848 1.00 25.42 H new ATOM 0 HH22 ARG A 102 4.652 14.616 -18.014 1.00 25.42 H new ATOM 1711 N PRO A 103 -2.552 18.149 -15.997 1.00 53.33 N ATOM 1712 CA PRO A 103 -3.751 18.596 -16.713 1.00 33.31 C ATOM 1713 C PRO A 103 -4.660 17.435 -17.103 1.00 25.51 C ATOM 1714 O PRO A 103 -4.186 16.358 -17.467 1.00 30.01 O ATOM 1715 CB PRO A 103 -3.186 19.276 -17.962 1.00 71.55 C ATOM 1716 CG PRO A 103 -1.857 18.636 -18.173 1.00 72.04 C ATOM 1717 CD PRO A 103 -1.330 18.314 -16.802 1.00 74.03 C ATOM 0 HA PRO A 103 -4.372 19.249 -16.100 1.00 33.31 H new ATOM 0 HB2 PRO A 103 -3.838 19.128 -18.823 1.00 71.55 H new ATOM 0 HB3 PRO A 103 -3.089 20.352 -17.817 1.00 71.55 H new ATOM 0 HG2 PRO A 103 -1.950 17.734 -18.777 1.00 72.04 H new ATOM 0 HG3 PRO A 103 -1.181 19.306 -18.703 1.00 72.04 H new ATOM 0 HD2 PRO A 103 -0.726 17.407 -16.806 1.00 74.03 H new ATOM 0 HD3 PRO A 103 -0.699 19.115 -16.416 1.00 74.03 H new ATOM 1725 N VAL A 104 -5.967 17.660 -17.025 1.00 32.10 N ATOM 1726 CA VAL A 104 -6.942 16.633 -17.372 1.00 31.44 C ATOM 1727 C VAL A 104 -7.076 16.489 -18.883 1.00 45.45 C ATOM 1728 O VAL A 104 -7.141 17.482 -19.609 1.00 71.22 O ATOM 1729 CB VAL A 104 -8.326 16.947 -16.773 1.00 2.14 C ATOM 1730 CG1 VAL A 104 -8.884 18.233 -17.363 1.00 3.11 C ATOM 1731 CG2 VAL A 104 -9.282 15.786 -17.003 1.00 2.41 C ATOM 0 H VAL A 104 -6.376 18.545 -16.724 1.00 32.10 H new ATOM 0 HA VAL A 104 -6.576 15.696 -16.952 1.00 31.44 H new ATOM 0 HB VAL A 104 -8.214 17.088 -15.698 1.00 2.14 H new ATOM 0 HG11 VAL A 104 -9.862 18.439 -16.928 1.00 3.11 H new ATOM 0 HG12 VAL A 104 -8.208 19.058 -17.141 1.00 3.11 H new ATOM 0 HG13 VAL A 104 -8.983 18.125 -18.443 1.00 3.11 H new ATOM 0 HG21 VAL A 104 -10.255 16.025 -16.573 1.00 2.41 H new ATOM 0 HG22 VAL A 104 -9.391 15.611 -18.073 1.00 2.41 H new ATOM 0 HG23 VAL A 104 -8.886 14.889 -16.527 1.00 2.41 H new ATOM 1741 N LYS A 105 -7.116 15.247 -19.353 1.00 43.12 N ATOM 1742 CA LYS A 105 -7.243 14.972 -20.779 1.00 73.43 C ATOM 1743 C LYS A 105 -8.705 14.766 -21.165 1.00 63.11 C ATOM 1744 O LYS A 105 -9.482 14.193 -20.403 1.00 21.44 O ATOM 1745 CB LYS A 105 -6.426 13.733 -21.156 1.00 13.54 C ATOM 1746 CG LYS A 105 -4.950 14.021 -21.369 1.00 72.35 C ATOM 1747 CD LYS A 105 -4.720 14.862 -22.614 1.00 34.21 C ATOM 1748 CE LYS A 105 -3.243 15.162 -22.819 1.00 15.13 C ATOM 1749 NZ LYS A 105 -2.604 14.190 -23.748 1.00 44.43 N ATOM 0 H LYS A 105 -7.062 14.414 -18.766 1.00 43.12 H new ATOM 0 HA LYS A 105 -6.858 15.833 -21.325 1.00 73.43 H new ATOM 0 HB2 LYS A 105 -6.532 12.985 -20.370 1.00 13.54 H new ATOM 0 HB3 LYS A 105 -6.838 13.299 -22.067 1.00 13.54 H new ATOM 0 HG2 LYS A 105 -4.551 14.541 -20.498 1.00 72.35 H new ATOM 0 HG3 LYS A 105 -4.404 13.082 -21.457 1.00 72.35 H new ATOM 0 HD2 LYS A 105 -5.110 14.337 -23.486 1.00 34.21 H new ATOM 0 HD3 LYS A 105 -5.274 15.797 -22.530 1.00 34.21 H new ATOM 0 HE2 LYS A 105 -3.129 16.171 -23.214 1.00 15.13 H new ATOM 0 HE3 LYS A 105 -2.730 15.136 -21.857 1.00 15.13 H new ATOM 0 HZ1 LYS A 105 -1.598 14.428 -23.862 1.00 44.43 H new ATOM 0 HZ2 LYS A 105 -2.690 13.229 -23.359 1.00 44.43 H new ATOM 0 HZ3 LYS A 105 -3.077 14.232 -24.674 1.00 44.43 H new ATOM 1763 N GLU A 106 -9.070 15.236 -22.354 1.00 13.25 N ATOM 1764 CA GLU A 106 -10.439 15.102 -22.839 1.00 44.33 C ATOM 1765 C GLU A 106 -10.668 13.720 -23.444 1.00 54.32 C ATOM 1766 O GLU A 106 -9.819 13.197 -24.165 1.00 60.32 O ATOM 1767 CB GLU A 106 -10.742 16.183 -23.879 1.00 53.00 C ATOM 1768 CG GLU A 106 -9.892 16.076 -25.134 1.00 12.51 C ATOM 1769 CD GLU A 106 -9.980 17.315 -26.005 1.00 31.50 C ATOM 1770 OE1 GLU A 106 -11.110 17.709 -26.362 1.00 71.44 O ATOM 1771 OE2 GLU A 106 -8.920 17.889 -26.329 1.00 60.14 O ATOM 0 H GLU A 106 -8.438 15.712 -22.998 1.00 13.25 H new ATOM 0 HA GLU A 106 -11.113 15.225 -21.991 1.00 44.33 H new ATOM 0 HB2 GLU A 106 -11.794 16.123 -24.157 1.00 53.00 H new ATOM 0 HB3 GLU A 106 -10.587 17.163 -23.428 1.00 53.00 H new ATOM 0 HG2 GLU A 106 -8.853 15.908 -24.851 1.00 12.51 H new ATOM 0 HG3 GLU A 106 -10.210 15.207 -25.711 1.00 12.51 H new ATOM 1778 N VAL A 107 -11.823 13.134 -23.145 1.00 13.25 N ATOM 1779 CA VAL A 107 -12.166 11.814 -23.658 1.00 74.53 C ATOM 1780 C VAL A 107 -13.317 11.894 -24.655 1.00 62.54 C ATOM 1781 O VAL A 107 -14.261 12.663 -24.471 1.00 24.34 O ATOM 1782 CB VAL A 107 -12.554 10.852 -22.520 1.00 35.35 C ATOM 1783 CG1 VAL A 107 -13.394 9.702 -23.054 1.00 75.04 C ATOM 1784 CG2 VAL A 107 -11.311 10.331 -21.815 1.00 44.40 C ATOM 0 H VAL A 107 -12.537 13.553 -22.550 1.00 13.25 H new ATOM 0 HA VAL A 107 -11.278 11.430 -24.161 1.00 74.53 H new ATOM 0 HB VAL A 107 -13.153 11.401 -21.794 1.00 35.35 H new ATOM 0 HG11 VAL A 107 -13.658 9.033 -22.235 1.00 75.04 H new ATOM 0 HG12 VAL A 107 -14.303 10.096 -23.508 1.00 75.04 H new ATOM 0 HG13 VAL A 107 -12.824 9.152 -23.802 1.00 75.04 H new ATOM 0 HG21 VAL A 107 -11.604 9.653 -21.014 1.00 44.40 H new ATOM 0 HG22 VAL A 107 -10.684 9.798 -22.530 1.00 44.40 H new ATOM 0 HG23 VAL A 107 -10.753 11.168 -21.396 1.00 44.40 H new ATOM 1794 N HIS A 108 -13.232 11.093 -25.714 1.00 13.45 N ATOM 1795 CA HIS A 108 -14.268 11.072 -26.741 1.00 4.52 C ATOM 1796 C HIS A 108 -14.781 9.654 -26.966 1.00 32.52 C ATOM 1797 O HIS A 108 -14.293 8.703 -26.355 1.00 15.43 O ATOM 1798 CB HIS A 108 -13.727 11.645 -28.051 1.00 50.42 C ATOM 1799 CG HIS A 108 -13.730 13.142 -28.097 1.00 14.51 C ATOM 1800 ND1 HIS A 108 -14.441 13.865 -29.032 1.00 11.33 N ATOM 1801 CD2 HIS A 108 -13.105 14.053 -27.315 1.00 14.51 C ATOM 1802 CE1 HIS A 108 -14.252 15.156 -28.824 1.00 2.13 C ATOM 1803 NE2 HIS A 108 -13.445 15.297 -27.787 1.00 54.22 N ATOM 0 H HIS A 108 -12.457 10.451 -25.883 1.00 13.45 H new ATOM 0 HA HIS A 108 -15.098 11.689 -26.398 1.00 4.52 H new ATOM 0 HB2 HIS A 108 -12.708 11.287 -28.201 1.00 50.42 H new ATOM 0 HB3 HIS A 108 -14.324 11.263 -28.879 1.00 50.42 H new ATOM 0 HD2 HIS A 108 -12.459 13.841 -26.476 1.00 14.51 H new ATOM 0 HE1 HIS A 108 -14.683 15.959 -29.403 1.00 2.13 H new ATOM 0 HE2 HIS A 108 -13.126 16.185 -27.400 1.00 54.22 H new ATOM 1811 N GLU A 109 -15.769 9.519 -27.846 1.00 5.22 N ATOM 1812 CA GLU A 109 -16.348 8.216 -28.149 1.00 54.11 C ATOM 1813 C GLU A 109 -15.452 7.430 -29.102 1.00 12.20 C ATOM 1814 O GLU A 109 -15.163 7.880 -30.210 1.00 70.22 O ATOM 1815 CB GLU A 109 -17.741 8.383 -28.762 1.00 24.22 C ATOM 1816 CG GLU A 109 -18.572 9.467 -28.097 1.00 73.11 C ATOM 1817 CD GLU A 109 -18.715 10.705 -28.961 1.00 61.21 C ATOM 1818 OE1 GLU A 109 -19.342 10.608 -30.037 1.00 33.33 O ATOM 1819 OE2 GLU A 109 -18.200 11.770 -28.562 1.00 64.14 O ATOM 0 H GLU A 109 -16.184 10.296 -28.361 1.00 5.22 H new ATOM 0 HA GLU A 109 -16.433 7.659 -27.216 1.00 54.11 H new ATOM 0 HB2 GLU A 109 -17.637 8.615 -29.822 1.00 24.22 H new ATOM 0 HB3 GLU A 109 -18.275 7.435 -28.694 1.00 24.22 H new ATOM 0 HG2 GLU A 109 -19.562 9.072 -27.868 1.00 73.11 H new ATOM 0 HG3 GLU A 109 -18.111 9.742 -27.148 1.00 73.11 H new ATOM 1826 N GLU A 110 -15.016 6.255 -28.661 1.00 31.54 N ATOM 1827 CA GLU A 110 -14.152 5.407 -29.473 1.00 62.05 C ATOM 1828 C GLU A 110 -13.695 4.182 -28.686 1.00 42.04 C ATOM 1829 O GLU A 110 -14.226 3.885 -27.616 1.00 62.11 O ATOM 1830 CB GLU A 110 -12.935 6.198 -29.959 1.00 32.20 C ATOM 1831 CG GLU A 110 -12.753 6.170 -31.467 1.00 74.02 C ATOM 1832 CD GLU A 110 -12.179 7.464 -32.010 1.00 1.24 C ATOM 1833 OE1 GLU A 110 -12.969 8.379 -32.324 1.00 64.22 O ATOM 1834 OE2 GLU A 110 -10.939 7.562 -32.119 1.00 44.01 O ATOM 0 H GLU A 110 -15.247 5.868 -27.746 1.00 31.54 H new ATOM 0 HA GLU A 110 -14.726 5.069 -30.336 1.00 62.05 H new ATOM 0 HB2 GLU A 110 -13.031 7.233 -29.632 1.00 32.20 H new ATOM 0 HB3 GLU A 110 -12.039 5.797 -29.486 1.00 32.20 H new ATOM 0 HG2 GLU A 110 -12.094 5.344 -31.734 1.00 74.02 H new ATOM 0 HG3 GLU A 110 -13.715 5.976 -31.942 1.00 74.02 H new ATOM 1841 N TYR A 111 -12.708 3.475 -29.225 1.00 4.02 N ATOM 1842 CA TYR A 111 -12.181 2.281 -28.575 1.00 64.45 C ATOM 1843 C TYR A 111 -10.717 2.471 -28.190 1.00 63.00 C ATOM 1844 O TYR A 111 -9.820 2.319 -29.020 1.00 1.43 O ATOM 1845 CB TYR A 111 -12.323 1.068 -29.497 1.00 52.44 C ATOM 1846 CG TYR A 111 -13.756 0.639 -29.715 1.00 75.24 C ATOM 1847 CD1 TYR A 111 -14.625 1.409 -30.479 1.00 62.54 C ATOM 1848 CD2 TYR A 111 -14.242 -0.538 -29.158 1.00 1.22 C ATOM 1849 CE1 TYR A 111 -15.935 1.020 -30.680 1.00 51.14 C ATOM 1850 CE2 TYR A 111 -15.550 -0.935 -29.355 1.00 14.22 C ATOM 1851 CZ TYR A 111 -16.393 -0.152 -30.116 1.00 72.33 C ATOM 1852 OH TYR A 111 -17.697 -0.543 -30.315 1.00 74.44 O ATOM 0 H TYR A 111 -12.257 3.708 -30.110 1.00 4.02 H new ATOM 0 HA TYR A 111 -12.758 2.109 -27.666 1.00 64.45 H new ATOM 0 HB2 TYR A 111 -11.871 1.300 -30.461 1.00 52.44 H new ATOM 0 HB3 TYR A 111 -11.763 0.234 -29.075 1.00 52.44 H new ATOM 0 HD1 TYR A 111 -14.270 2.327 -30.923 1.00 62.54 H new ATOM 0 HD2 TYR A 111 -13.585 -1.153 -28.561 1.00 1.22 H new ATOM 0 HE1 TYR A 111 -16.597 1.631 -31.276 1.00 51.14 H new ATOM 0 HE2 TYR A 111 -15.911 -1.853 -28.916 1.00 14.22 H new ATOM 0 HH TYR A 111 -17.859 -1.391 -29.851 1.00 74.44 H new ATOM 1862 N ASP A 112 -10.483 2.803 -26.925 1.00 55.52 N ATOM 1863 CA ASP A 112 -9.129 3.013 -26.427 1.00 50.31 C ATOM 1864 C ASP A 112 -9.042 2.692 -24.938 1.00 43.04 C ATOM 1865 O ASP A 112 -8.480 1.669 -24.545 1.00 71.31 O ATOM 1866 CB ASP A 112 -8.689 4.457 -26.677 1.00 22.43 C ATOM 1867 CG ASP A 112 -7.657 4.564 -27.783 1.00 14.34 C ATOM 1868 OD1 ASP A 112 -8.044 4.468 -28.966 1.00 34.13 O ATOM 1869 OD2 ASP A 112 -6.463 4.744 -27.465 1.00 2.12 O ATOM 0 H ASP A 112 -11.214 2.932 -26.226 1.00 55.52 H new ATOM 0 HA ASP A 112 -8.462 2.340 -26.965 1.00 50.31 H new ATOM 0 HB2 ASP A 112 -9.560 5.059 -26.937 1.00 22.43 H new ATOM 0 HB3 ASP A 112 -8.277 4.873 -25.758 1.00 22.43 H new ATOM 1874 N LEU A 113 -9.599 3.573 -24.115 1.00 33.52 N ATOM 1875 CA LEU A 113 -9.584 3.384 -22.668 1.00 62.43 C ATOM 1876 C LEU A 113 -10.238 2.060 -22.285 1.00 61.00 C ATOM 1877 O LEU A 113 -10.602 1.263 -23.150 1.00 13.33 O ATOM 1878 CB LEU A 113 -10.305 4.541 -21.975 1.00 44.23 C ATOM 1879 CG LEU A 113 -9.515 5.845 -21.851 1.00 55.12 C ATOM 1880 CD1 LEU A 113 -8.885 6.216 -23.184 1.00 43.23 C ATOM 1881 CD2 LEU A 113 -10.415 6.967 -21.354 1.00 2.51 C ATOM 0 H LEU A 113 -10.067 4.425 -24.424 1.00 33.52 H new ATOM 0 HA LEU A 113 -8.545 3.363 -22.340 1.00 62.43 H new ATOM 0 HB2 LEU A 113 -11.226 4.748 -22.520 1.00 44.23 H new ATOM 0 HB3 LEU A 113 -10.592 4.217 -20.975 1.00 44.23 H new ATOM 0 HG LEU A 113 -8.716 5.697 -21.124 1.00 55.12 H new ATOM 0 HD11 LEU A 113 -8.327 7.146 -23.076 1.00 43.23 H new ATOM 0 HD12 LEU A 113 -8.209 5.422 -23.500 1.00 43.23 H new ATOM 0 HD13 LEU A 113 -9.667 6.346 -23.932 1.00 43.23 H new ATOM 0 HD21 LEU A 113 -9.837 7.887 -21.271 1.00 2.51 H new ATOM 0 HD22 LEU A 113 -11.234 7.115 -22.057 1.00 2.51 H new ATOM 0 HD23 LEU A 113 -10.819 6.703 -20.377 1.00 2.51 H new ATOM 1893 N TRP A 114 -10.385 1.834 -20.985 1.00 20.23 N ATOM 1894 CA TRP A 114 -10.998 0.607 -20.487 1.00 44.20 C ATOM 1895 C TRP A 114 -12.437 0.481 -20.974 1.00 62.04 C ATOM 1896 O TRP A 114 -12.860 -0.587 -21.416 1.00 2.21 O ATOM 1897 CB TRP A 114 -10.959 0.578 -18.958 1.00 73.43 C ATOM 1898 CG TRP A 114 -9.659 0.076 -18.406 1.00 75.42 C ATOM 1899 CD1 TRP A 114 -8.854 0.708 -17.503 1.00 2.11 C ATOM 1900 CD2 TRP A 114 -9.015 -1.163 -18.724 1.00 1.24 C ATOM 1901 NE1 TRP A 114 -7.747 -0.063 -17.240 1.00 11.44 N ATOM 1902 CE2 TRP A 114 -7.823 -1.216 -17.975 1.00 43.32 C ATOM 1903 CE3 TRP A 114 -9.330 -2.233 -19.565 1.00 63.02 C ATOM 1904 CZ2 TRP A 114 -6.947 -2.296 -18.046 1.00 10.20 C ATOM 1905 CZ3 TRP A 114 -8.459 -3.304 -19.635 1.00 34.25 C ATOM 1906 CH2 TRP A 114 -7.280 -3.330 -18.878 1.00 51.32 C ATOM 0 H TRP A 114 -10.089 2.483 -20.256 1.00 20.23 H new ATOM 0 HA TRP A 114 -10.428 -0.238 -20.874 1.00 44.20 H new ATOM 0 HB2 TRP A 114 -11.143 1.583 -18.578 1.00 73.43 H new ATOM 0 HB3 TRP A 114 -11.769 -0.054 -18.593 1.00 73.43 H new ATOM 0 HD1 TRP A 114 -9.057 1.672 -17.060 1.00 2.11 H new ATOM 0 HE1 TRP A 114 -6.991 0.184 -16.601 1.00 11.44 H new ATOM 0 HE3 TRP A 114 -10.238 -2.224 -20.150 1.00 63.02 H new ATOM 0 HZ2 TRP A 114 -6.037 -2.317 -17.465 1.00 10.20 H new ATOM 0 HZ3 TRP A 114 -8.691 -4.135 -20.284 1.00 34.25 H new ATOM 0 HH2 TRP A 114 -6.621 -4.183 -18.953 1.00 51.32 H new ATOM 1917 N GLU A 115 -13.184 1.578 -20.891 1.00 63.43 N ATOM 1918 CA GLU A 115 -14.576 1.587 -21.324 1.00 51.20 C ATOM 1919 C GLU A 115 -15.212 0.212 -21.143 1.00 64.41 C ATOM 1920 O GLU A 115 -15.450 -0.507 -22.114 1.00 43.53 O ATOM 1921 CB GLU A 115 -14.675 2.018 -22.789 1.00 12.11 C ATOM 1922 CG GLU A 115 -13.748 1.248 -23.714 1.00 3.21 C ATOM 1923 CD GLU A 115 -14.226 1.250 -25.153 1.00 21.31 C ATOM 1924 OE1 GLU A 115 -14.859 2.244 -25.566 1.00 31.11 O ATOM 1925 OE2 GLU A 115 -13.968 0.258 -25.866 1.00 24.44 O ATOM 0 H GLU A 115 -12.849 2.470 -20.528 1.00 63.43 H new ATOM 0 HA GLU A 115 -15.117 2.302 -20.705 1.00 51.20 H new ATOM 0 HB2 GLU A 115 -15.703 1.889 -23.128 1.00 12.11 H new ATOM 0 HB3 GLU A 115 -14.447 3.081 -22.862 1.00 12.11 H new ATOM 0 HG2 GLU A 115 -12.750 1.683 -23.666 1.00 3.21 H new ATOM 0 HG3 GLU A 115 -13.664 0.219 -23.364 1.00 3.21 H new ATOM 1932 N ASP A 116 -15.483 -0.148 -19.894 1.00 22.35 N ATOM 1933 CA ASP A 116 -16.091 -1.437 -19.584 1.00 20.11 C ATOM 1934 C ASP A 116 -16.298 -1.593 -18.081 1.00 25.44 C ATOM 1935 O ASP A 116 -17.419 -1.748 -17.596 1.00 63.30 O ATOM 1936 CB ASP A 116 -15.219 -2.577 -20.113 1.00 3.24 C ATOM 1937 CG ASP A 116 -15.280 -3.809 -19.232 1.00 24.14 C ATOM 1938 OD1 ASP A 116 -16.401 -4.241 -18.894 1.00 32.44 O ATOM 1939 OD2 ASP A 116 -14.206 -4.341 -18.879 1.00 43.23 O ATOM 0 H ASP A 116 -15.291 0.435 -19.079 1.00 22.35 H new ATOM 0 HA ASP A 116 -17.065 -1.478 -20.072 1.00 20.11 H new ATOM 0 HB2 ASP A 116 -15.540 -2.839 -21.121 1.00 3.24 H new ATOM 0 HB3 ASP A 116 -14.186 -2.237 -20.186 1.00 3.24 H new ATOM 1944 N PRO A 117 -15.191 -1.553 -17.324 1.00 30.34 N ATOM 1945 CA PRO A 117 -15.225 -1.689 -15.864 1.00 62.23 C ATOM 1946 C PRO A 117 -15.853 -0.478 -15.184 1.00 3.33 C ATOM 1947 O PRO A 117 -16.852 -0.601 -14.475 1.00 20.12 O ATOM 1948 CB PRO A 117 -13.747 -1.809 -15.485 1.00 22.41 C ATOM 1949 CG PRO A 117 -13.016 -1.126 -16.588 1.00 44.24 C ATOM 1950 CD PRO A 117 -13.822 -1.372 -17.834 1.00 3.42 C ATOM 0 HA PRO A 117 -15.831 -2.538 -15.547 1.00 62.23 H new ATOM 0 HB2 PRO A 117 -13.545 -1.336 -14.524 1.00 22.41 H new ATOM 0 HB3 PRO A 117 -13.445 -2.852 -15.396 1.00 22.41 H new ATOM 0 HG2 PRO A 117 -12.920 -0.058 -16.390 1.00 44.24 H new ATOM 0 HG3 PRO A 117 -12.006 -1.523 -16.692 1.00 44.24 H new ATOM 0 HD2 PRO A 117 -13.759 -0.532 -18.526 1.00 3.42 H new ATOM 0 HD3 PRO A 117 -13.473 -2.254 -18.371 1.00 3.42 H new ATOM 1958 N ILE A 118 -15.261 0.691 -15.404 1.00 11.40 N ATOM 1959 CA ILE A 118 -15.764 1.925 -14.813 1.00 14.04 C ATOM 1960 C ILE A 118 -16.939 2.479 -15.612 1.00 61.31 C ATOM 1961 O ILE A 118 -17.662 3.358 -15.144 1.00 44.51 O ATOM 1962 CB ILE A 118 -14.664 2.999 -14.728 1.00 64.14 C ATOM 1963 CG1 ILE A 118 -14.485 3.685 -16.084 1.00 61.34 C ATOM 1964 CG2 ILE A 118 -13.354 2.379 -14.265 1.00 44.32 C ATOM 1965 CD1 ILE A 118 -13.925 2.773 -17.154 1.00 30.34 C ATOM 0 H ILE A 118 -14.433 0.810 -15.987 1.00 11.40 H new ATOM 0 HA ILE A 118 -16.097 1.678 -13.805 1.00 14.04 H new ATOM 0 HB ILE A 118 -14.966 3.751 -13.999 1.00 64.14 H new ATOM 0 HG12 ILE A 118 -15.448 4.072 -16.416 1.00 61.34 H new ATOM 0 HG13 ILE A 118 -13.821 4.541 -15.964 1.00 61.34 H new ATOM 0 HG21 ILE A 118 -12.586 3.150 -14.210 1.00 44.32 H new ATOM 0 HG22 ILE A 118 -13.491 1.932 -13.280 1.00 44.32 H new ATOM 0 HG23 ILE A 118 -13.045 1.610 -14.973 1.00 44.32 H new ATOM 0 HD11 ILE A 118 -13.825 3.326 -18.088 1.00 30.34 H new ATOM 0 HD12 ILE A 118 -12.947 2.405 -16.843 1.00 30.34 H new ATOM 0 HD13 ILE A 118 -14.599 1.929 -17.302 1.00 30.34 H new ATOM 1977 N TRP A 119 -17.124 1.956 -16.819 1.00 12.40 N ATOM 1978 CA TRP A 119 -18.213 2.397 -17.684 1.00 10.35 C ATOM 1979 C TRP A 119 -19.563 2.191 -17.006 1.00 74.25 C ATOM 1980 O TRP A 119 -20.535 2.877 -17.320 1.00 55.21 O ATOM 1981 CB TRP A 119 -18.174 1.642 -19.013 1.00 32.32 C ATOM 1982 CG TRP A 119 -19.362 1.914 -19.886 1.00 21.44 C ATOM 1983 CD1 TRP A 119 -20.335 1.026 -20.245 1.00 35.33 C ATOM 1984 CD2 TRP A 119 -19.700 3.157 -20.510 1.00 63.22 C ATOM 1985 NE1 TRP A 119 -21.258 1.642 -21.055 1.00 52.10 N ATOM 1986 CE2 TRP A 119 -20.891 2.950 -21.232 1.00 74.13 C ATOM 1987 CE3 TRP A 119 -19.113 4.425 -20.528 1.00 60.11 C ATOM 1988 CZ2 TRP A 119 -21.504 3.964 -21.964 1.00 3.12 C ATOM 1989 CZ3 TRP A 119 -19.722 5.430 -21.255 1.00 2.31 C ATOM 1990 CH2 TRP A 119 -20.907 5.196 -21.964 1.00 34.31 C ATOM 0 H TRP A 119 -16.535 1.227 -17.221 1.00 12.40 H new ATOM 0 HA TRP A 119 -18.083 3.462 -17.877 1.00 10.35 H new ATOM 0 HB2 TRP A 119 -17.266 1.915 -19.551 1.00 32.32 H new ATOM 0 HB3 TRP A 119 -18.116 0.572 -18.813 1.00 32.32 H new ATOM 0 HD1 TRP A 119 -20.373 -0.009 -19.937 1.00 35.33 H new ATOM 0 HE1 TRP A 119 -22.083 1.198 -21.459 1.00 52.10 H new ATOM 0 HE3 TRP A 119 -18.200 4.616 -19.984 1.00 60.11 H new ATOM 0 HZ2 TRP A 119 -22.417 3.785 -22.512 1.00 3.12 H new ATOM 0 HZ3 TRP A 119 -19.276 6.413 -21.277 1.00 2.31 H new ATOM 0 HH2 TRP A 119 -21.359 6.003 -22.522 1.00 34.31 H new ATOM 2001 N GLN A 120 -19.616 1.242 -16.077 1.00 62.24 N ATOM 2002 CA GLN A 120 -20.849 0.946 -15.357 1.00 64.11 C ATOM 2003 C GLN A 120 -20.663 1.144 -13.856 1.00 60.32 C ATOM 2004 O GLN A 120 -21.212 2.077 -13.270 1.00 42.34 O ATOM 2005 CB GLN A 120 -21.300 -0.488 -15.643 1.00 5.43 C ATOM 2006 CG GLN A 120 -22.234 -0.605 -16.836 1.00 31.11 C ATOM 2007 CD GLN A 120 -23.629 -0.092 -16.537 1.00 70.13 C ATOM 2008 OE1 GLN A 120 -24.144 0.782 -17.235 1.00 1.20 O ATOM 2009 NE2 GLN A 120 -24.249 -0.635 -15.496 1.00 53.51 N ATOM 0 H GLN A 120 -18.820 0.665 -15.805 1.00 62.24 H new ATOM 0 HA GLN A 120 -21.618 1.637 -15.704 1.00 64.11 H new ATOM 0 HB2 GLN A 120 -20.421 -1.108 -15.818 1.00 5.43 H new ATOM 0 HB3 GLN A 120 -21.800 -0.886 -14.760 1.00 5.43 H new ATOM 0 HG2 GLN A 120 -21.818 -0.047 -17.675 1.00 31.11 H new ATOM 0 HG3 GLN A 120 -22.293 -1.648 -17.145 1.00 31.11 H new ATOM 0 HE21 GLN A 120 -23.784 -1.357 -14.945 1.00 53.51 H new ATOM 0 HE22 GLN A 120 -25.190 -0.330 -15.247 1.00 53.51 H new ATOM 2018 N TYR A 121 -19.887 0.259 -13.240 1.00 2.43 N ATOM 2019 CA TYR A 121 -19.631 0.335 -11.806 1.00 51.23 C ATOM 2020 C TYR A 121 -18.448 1.253 -11.512 1.00 33.44 C ATOM 2021 O TYR A 121 -17.914 1.903 -12.411 1.00 22.45 O ATOM 2022 CB TYR A 121 -19.362 -1.060 -11.241 1.00 22.24 C ATOM 2023 CG TYR A 121 -20.006 -1.303 -9.894 1.00 53.44 C ATOM 2024 CD1 TYR A 121 -21.383 -1.203 -9.733 1.00 25.12 C ATOM 2025 CD2 TYR A 121 -19.238 -1.632 -8.784 1.00 75.31 C ATOM 2026 CE1 TYR A 121 -21.975 -1.423 -8.505 1.00 13.04 C ATOM 2027 CE2 TYR A 121 -19.823 -1.855 -7.552 1.00 62.33 C ATOM 2028 CZ TYR A 121 -21.191 -1.749 -7.418 1.00 33.05 C ATOM 2029 OH TYR A 121 -21.778 -1.970 -6.193 1.00 31.24 O ATOM 0 H TYR A 121 -19.425 -0.519 -13.711 1.00 2.43 H new ATOM 0 HA TYR A 121 -20.517 0.750 -11.325 1.00 51.23 H new ATOM 0 HB2 TYR A 121 -19.726 -1.805 -11.948 1.00 22.24 H new ATOM 0 HB3 TYR A 121 -18.285 -1.205 -11.151 1.00 22.24 H new ATOM 0 HD1 TYR A 121 -22.000 -0.949 -10.582 1.00 25.12 H new ATOM 0 HD2 TYR A 121 -18.166 -1.715 -8.886 1.00 75.31 H new ATOM 0 HE1 TYR A 121 -23.046 -1.340 -8.396 1.00 13.04 H new ATOM 0 HE2 TYR A 121 -19.212 -2.111 -6.699 1.00 62.33 H new ATOM 0 HH TYR A 121 -21.087 -2.190 -5.534 1.00 31.24 H new ATOM 2039 N ILE A 122 -18.045 1.299 -10.246 1.00 51.14 N ATOM 2040 CA ILE A 122 -16.925 2.135 -9.832 1.00 62.25 C ATOM 2041 C ILE A 122 -15.638 1.718 -10.537 1.00 54.55 C ATOM 2042 O ILE A 122 -15.077 2.477 -11.328 1.00 54.40 O ATOM 2043 CB ILE A 122 -16.706 2.070 -8.309 1.00 74.53 C ATOM 2044 CG1 ILE A 122 -17.961 2.542 -7.572 1.00 21.25 C ATOM 2045 CG2 ILE A 122 -15.503 2.910 -7.910 1.00 63.03 C ATOM 2046 CD1 ILE A 122 -18.212 1.806 -6.274 1.00 60.21 C ATOM 0 H ILE A 122 -18.477 0.768 -9.490 1.00 51.14 H new ATOM 0 HA ILE A 122 -17.175 3.158 -10.111 1.00 62.25 H new ATOM 0 HB ILE A 122 -16.510 1.035 -8.028 1.00 74.53 H new ATOM 0 HG12 ILE A 122 -17.871 3.608 -7.364 1.00 21.25 H new ATOM 0 HG13 ILE A 122 -18.825 2.416 -8.225 1.00 21.25 H new ATOM 0 HG21 ILE A 122 -15.362 2.854 -6.831 1.00 63.03 H new ATOM 0 HG22 ILE A 122 -14.613 2.532 -8.413 1.00 63.03 H new ATOM 0 HG23 ILE A 122 -15.671 3.947 -8.200 1.00 63.03 H new ATOM 0 HD11 ILE A 122 -19.117 2.192 -5.806 1.00 60.21 H new ATOM 0 HD12 ILE A 122 -18.334 0.742 -6.477 1.00 60.21 H new ATOM 0 HD13 ILE A 122 -17.366 1.953 -5.603 1.00 60.21 H new