USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot -119:sc= 1.54 USER MOD Set 1.2: A 67 CYS SG : rot 18:sc= 0.798 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0276 (180deg=-0.0761) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.0336 (180deg=-0.363) USER MOD Single : A 16 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 63:sc= 1.23 USER MOD Single : A 28 CYS SG : rot 180:sc= 0.035 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.47 K(o=-0.47,f=-3.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0346 USER MOD Single : A 72 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.038) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.433 1.019 -3.504 1.00 25.42 N ATOM 2 CA MET A 1 2.255 1.637 -2.195 1.00 72.22 C ATOM 3 C MET A 1 3.318 2.703 -1.948 1.00 33.53 C ATOM 4 O MET A 1 4.469 2.550 -2.353 1.00 43.31 O ATOM 5 CB MET A 1 2.313 0.576 -1.094 1.00 42.31 C ATOM 6 CG MET A 1 3.617 -0.206 -1.072 1.00 14.40 C ATOM 7 SD MET A 1 3.418 -1.904 -1.644 1.00 54.23 S ATOM 8 CE MET A 1 3.668 -2.807 -0.118 1.00 20.01 C ATOM 0 H1 MET A 1 2.241 -0.001 -3.436 1.00 25.42 H new ATOM 0 H2 MET A 1 1.775 1.451 -4.184 1.00 25.42 H new ATOM 0 H3 MET A 1 3.411 1.166 -3.827 1.00 25.42 H new ATOM 0 HA MET A 1 1.276 2.115 -2.177 1.00 72.22 H new ATOM 0 HB2 MET A 1 2.172 1.059 -0.127 1.00 42.31 H new ATOM 0 HB3 MET A 1 1.484 -0.119 -1.227 1.00 42.31 H new ATOM 0 HG2 MET A 1 4.351 0.301 -1.699 1.00 14.40 H new ATOM 0 HG3 MET A 1 4.015 -0.213 -0.057 1.00 14.40 H new ATOM 0 HE1 MET A 1 3.576 -3.876 -0.309 1.00 20.01 H new ATOM 0 HE2 MET A 1 4.663 -2.593 0.273 1.00 20.01 H new ATOM 0 HE3 MET A 1 2.918 -2.503 0.612 1.00 20.01 H new ATOM 18 N GLY A 2 2.923 3.782 -1.280 1.00 11.33 N ATOM 19 CA GLY A 2 3.854 4.857 -0.991 1.00 11.44 C ATOM 20 C GLY A 2 4.485 5.431 -2.244 1.00 32.30 C ATOM 21 O GLY A 2 3.815 5.598 -3.263 1.00 44.13 O ATOM 0 H GLY A 2 1.975 3.931 -0.934 1.00 11.33 H new ATOM 0 HA2 GLY A 2 3.333 5.650 -0.454 1.00 11.44 H new ATOM 0 HA3 GLY A 2 4.638 4.487 -0.330 1.00 11.44 H new ATOM 25 N SER A 3 5.777 5.734 -2.169 1.00 13.13 N ATOM 26 CA SER A 3 6.497 6.297 -3.305 1.00 1.45 C ATOM 27 C SER A 3 7.401 5.250 -3.948 1.00 50.31 C ATOM 28 O SER A 3 8.419 5.582 -4.555 1.00 4.34 O ATOM 29 CB SER A 3 7.329 7.502 -2.861 1.00 51.51 C ATOM 30 OG SER A 3 6.500 8.613 -2.564 1.00 30.20 O ATOM 0 H SER A 3 6.346 5.599 -1.334 1.00 13.13 H new ATOM 0 HA SER A 3 5.764 6.622 -4.044 1.00 1.45 H new ATOM 0 HB2 SER A 3 7.917 7.238 -1.982 1.00 51.51 H new ATOM 0 HB3 SER A 3 8.034 7.771 -3.647 1.00 51.51 H new ATOM 0 HG SER A 3 7.055 9.369 -2.281 1.00 30.20 H new ATOM 36 N TRP A 4 7.021 3.985 -3.811 1.00 14.41 N ATOM 37 CA TRP A 4 7.796 2.888 -4.379 1.00 3.34 C ATOM 38 C TRP A 4 7.531 2.751 -5.874 1.00 31.34 C ATOM 39 O TRP A 4 8.459 2.592 -6.666 1.00 20.52 O ATOM 40 CB TRP A 4 7.461 1.577 -3.666 1.00 2.23 C ATOM 41 CG TRP A 4 8.022 0.368 -4.351 1.00 43.20 C ATOM 42 CD1 TRP A 4 7.488 -0.288 -5.423 1.00 32.44 C ATOM 43 CD2 TRP A 4 9.225 -0.329 -4.010 1.00 45.01 C ATOM 44 NE1 TRP A 4 8.286 -1.352 -5.768 1.00 42.14 N ATOM 45 CE2 TRP A 4 9.359 -1.398 -4.918 1.00 10.12 C ATOM 46 CE3 TRP A 4 10.204 -0.153 -3.028 1.00 71.31 C ATOM 47 CZ2 TRP A 4 10.431 -2.286 -4.870 1.00 15.54 C ATOM 48 CZ3 TRP A 4 11.267 -1.035 -2.981 1.00 73.34 C ATOM 49 CH2 TRP A 4 11.374 -2.090 -3.898 1.00 12.13 C ATOM 0 H TRP A 4 6.181 3.693 -3.311 1.00 14.41 H new ATOM 0 HA TRP A 4 8.853 3.111 -4.236 1.00 3.34 H new ATOM 0 HB2 TRP A 4 7.844 1.618 -2.646 1.00 2.23 H new ATOM 0 HB3 TRP A 4 6.378 1.476 -3.596 1.00 2.23 H new ATOM 0 HD1 TRP A 4 6.573 -0.011 -5.926 1.00 32.44 H new ATOM 0 HE1 TRP A 4 8.108 -2.002 -6.533 1.00 42.14 H new ATOM 0 HE3 TRP A 4 10.131 0.658 -2.318 1.00 71.31 H new ATOM 0 HZ2 TRP A 4 10.515 -3.100 -5.575 1.00 15.54 H new ATOM 0 HZ3 TRP A 4 12.028 -0.909 -2.225 1.00 73.34 H new ATOM 0 HH2 TRP A 4 12.218 -2.761 -3.836 1.00 12.13 H new ATOM 60 N ALA A 5 6.259 2.813 -6.253 1.00 13.13 N ATOM 61 CA ALA A 5 5.872 2.698 -7.653 1.00 64.45 C ATOM 62 C ALA A 5 6.676 3.656 -8.525 1.00 43.14 C ATOM 63 O ALA A 5 7.249 3.255 -9.538 1.00 5.42 O ATOM 64 CB ALA A 5 4.382 2.959 -7.813 1.00 41.33 C ATOM 0 H ALA A 5 5.478 2.942 -5.609 1.00 13.13 H new ATOM 0 HA ALA A 5 6.088 1.681 -7.981 1.00 64.45 H new ATOM 0 HB1 ALA A 5 4.108 2.870 -8.864 1.00 41.33 H new ATOM 0 HB2 ALA A 5 3.820 2.231 -7.228 1.00 41.33 H new ATOM 0 HB3 ALA A 5 4.149 3.964 -7.461 1.00 41.33 H new ATOM 70 N GLU A 6 6.713 4.923 -8.126 1.00 12.54 N ATOM 71 CA GLU A 6 7.446 5.939 -8.873 1.00 33.30 C ATOM 72 C GLU A 6 8.912 5.546 -9.031 1.00 32.35 C ATOM 73 O GLU A 6 9.455 5.560 -10.135 1.00 52.44 O ATOM 74 CB GLU A 6 7.342 7.294 -8.171 1.00 43.30 C ATOM 75 CG GLU A 6 6.163 8.132 -8.636 1.00 32.13 C ATOM 76 CD GLU A 6 5.193 8.446 -7.514 1.00 14.43 C ATOM 77 OE1 GLU A 6 5.658 8.797 -6.409 1.00 32.43 O ATOM 78 OE2 GLU A 6 3.969 8.342 -7.740 1.00 0.31 O ATOM 0 H GLU A 6 6.244 5.271 -7.290 1.00 12.54 H new ATOM 0 HA GLU A 6 7.000 6.017 -9.865 1.00 33.30 H new ATOM 0 HB2 GLU A 6 7.260 7.131 -7.096 1.00 43.30 H new ATOM 0 HB3 GLU A 6 8.263 7.853 -8.339 1.00 43.30 H new ATOM 0 HG2 GLU A 6 6.531 9.064 -9.065 1.00 32.13 H new ATOM 0 HG3 GLU A 6 5.636 7.602 -9.430 1.00 32.13 H new ATOM 85 N PHE A 7 9.547 5.195 -7.917 1.00 42.12 N ATOM 86 CA PHE A 7 10.951 4.800 -7.930 1.00 73.43 C ATOM 87 C PHE A 7 11.175 3.621 -8.873 1.00 31.10 C ATOM 88 O PHE A 7 12.158 3.580 -9.613 1.00 4.54 O ATOM 89 CB PHE A 7 11.412 4.433 -6.518 1.00 63.13 C ATOM 90 CG PHE A 7 12.214 5.513 -5.850 1.00 65.14 C ATOM 91 CD1 PHE A 7 11.633 6.730 -5.532 1.00 62.42 C ATOM 92 CD2 PHE A 7 13.550 5.311 -5.541 1.00 41.53 C ATOM 93 CE1 PHE A 7 12.368 7.726 -4.917 1.00 64.42 C ATOM 94 CE2 PHE A 7 14.290 6.303 -4.926 1.00 41.40 C ATOM 95 CZ PHE A 7 13.699 7.512 -4.615 1.00 11.33 C ATOM 0 H PHE A 7 9.112 5.176 -6.995 1.00 42.12 H new ATOM 0 HA PHE A 7 11.538 5.646 -8.288 1.00 73.43 H new ATOM 0 HB2 PHE A 7 10.538 4.209 -5.906 1.00 63.13 H new ATOM 0 HB3 PHE A 7 12.010 3.523 -6.565 1.00 63.13 H new ATOM 0 HD1 PHE A 7 10.593 6.902 -5.768 1.00 62.42 H new ATOM 0 HD2 PHE A 7 14.018 4.368 -5.783 1.00 41.53 H new ATOM 0 HE1 PHE A 7 11.903 8.670 -4.673 1.00 64.42 H new ATOM 0 HE2 PHE A 7 15.330 6.133 -4.689 1.00 41.40 H new ATOM 0 HZ PHE A 7 14.277 8.289 -4.136 1.00 11.33 H new ATOM 105 N LYS A 8 10.256 2.662 -8.841 1.00 13.05 N ATOM 106 CA LYS A 8 10.350 1.482 -9.691 1.00 63.33 C ATOM 107 C LYS A 8 10.308 1.869 -11.166 1.00 14.10 C ATOM 108 O LYS A 8 11.092 1.367 -11.971 1.00 54.40 O ATOM 109 CB LYS A 8 9.213 0.508 -9.376 1.00 33.23 C ATOM 110 CG LYS A 8 9.612 -0.605 -8.422 1.00 73.00 C ATOM 111 CD LYS A 8 10.661 -1.516 -9.036 1.00 63.11 C ATOM 112 CE LYS A 8 10.068 -2.857 -9.439 1.00 71.43 C ATOM 113 NZ LYS A 8 10.935 -3.578 -10.412 1.00 42.43 N ATOM 0 H LYS A 8 9.436 2.679 -8.234 1.00 13.05 H new ATOM 0 HA LYS A 8 11.304 0.995 -9.488 1.00 63.33 H new ATOM 0 HB2 LYS A 8 8.379 1.063 -8.945 1.00 33.23 H new ATOM 0 HB3 LYS A 8 8.855 0.067 -10.306 1.00 33.23 H new ATOM 0 HG2 LYS A 8 9.999 -0.173 -7.499 1.00 73.00 H new ATOM 0 HG3 LYS A 8 8.732 -1.190 -8.155 1.00 73.00 H new ATOM 0 HD2 LYS A 8 11.097 -1.033 -9.910 1.00 63.11 H new ATOM 0 HD3 LYS A 8 11.470 -1.674 -8.322 1.00 63.11 H new ATOM 0 HE2 LYS A 8 9.928 -3.474 -8.551 1.00 71.43 H new ATOM 0 HE3 LYS A 8 9.082 -2.701 -9.877 1.00 71.43 H new ATOM 0 HZ1 LYS A 8 10.496 -4.487 -10.661 1.00 42.43 H new ATOM 0 HZ2 LYS A 8 11.048 -3.001 -11.270 1.00 42.43 H new ATOM 0 HZ3 LYS A 8 11.868 -3.750 -9.985 1.00 42.43 H new ATOM 127 N GLN A 9 9.388 2.765 -11.512 1.00 24.35 N ATOM 128 CA GLN A 9 9.245 3.219 -12.890 1.00 4.24 C ATOM 129 C GLN A 9 10.533 3.869 -13.385 1.00 62.20 C ATOM 130 O GLN A 9 11.096 3.459 -14.400 1.00 61.41 O ATOM 131 CB GLN A 9 8.084 4.208 -13.005 1.00 2.22 C ATOM 132 CG GLN A 9 7.063 3.827 -14.065 1.00 3.02 C ATOM 133 CD GLN A 9 6.119 4.964 -14.401 1.00 14.12 C ATOM 134 OE1 GLN A 9 5.654 5.683 -13.515 1.00 72.44 O ATOM 135 NE2 GLN A 9 5.829 5.134 -15.686 1.00 24.33 N ATOM 0 H GLN A 9 8.731 3.190 -10.857 1.00 24.35 H new ATOM 0 HA GLN A 9 9.036 2.349 -13.513 1.00 4.24 H new ATOM 0 HB2 GLN A 9 7.583 4.281 -12.040 1.00 2.22 H new ATOM 0 HB3 GLN A 9 8.481 5.197 -13.234 1.00 2.22 H new ATOM 0 HG2 GLN A 9 7.584 3.513 -14.970 1.00 3.02 H new ATOM 0 HG3 GLN A 9 6.485 2.971 -13.716 1.00 3.02 H new ATOM 0 HE21 GLN A 9 6.237 4.515 -16.387 1.00 24.33 H new ATOM 0 HE22 GLN A 9 5.199 5.883 -15.972 1.00 24.33 H new ATOM 144 N ARG A 10 10.994 4.884 -12.662 1.00 51.41 N ATOM 145 CA ARG A 10 12.215 5.592 -13.029 1.00 73.23 C ATOM 146 C ARG A 10 13.376 4.618 -13.203 1.00 23.32 C ATOM 147 O ARG A 10 14.134 4.704 -14.170 1.00 74.25 O ATOM 148 CB ARG A 10 12.564 6.635 -11.966 1.00 63.04 C ATOM 149 CG ARG A 10 11.818 7.948 -12.133 1.00 52.43 C ATOM 150 CD ARG A 10 10.376 7.834 -11.662 1.00 64.45 C ATOM 151 NE ARG A 10 9.625 9.065 -11.893 1.00 65.24 N ATOM 152 CZ ARG A 10 9.754 10.155 -11.145 1.00 74.03 C ATOM 153 NH1 ARG A 10 10.599 10.167 -10.124 1.00 62.32 N ATOM 154 NH2 ARG A 10 9.035 11.237 -11.419 1.00 24.35 N ATOM 0 H ARG A 10 10.541 5.235 -11.818 1.00 51.41 H new ATOM 0 HA ARG A 10 12.041 6.097 -13.979 1.00 73.23 H new ATOM 0 HB2 ARG A 10 12.344 6.225 -10.980 1.00 63.04 H new ATOM 0 HB3 ARG A 10 13.636 6.829 -11.998 1.00 63.04 H new ATOM 0 HG2 ARG A 10 12.325 8.730 -11.568 1.00 52.43 H new ATOM 0 HG3 ARG A 10 11.837 8.248 -13.181 1.00 52.43 H new ATOM 0 HD2 ARG A 10 9.889 7.009 -12.182 1.00 64.45 H new ATOM 0 HD3 ARG A 10 10.360 7.594 -10.599 1.00 64.45 H new ATOM 0 HE ARG A 10 8.966 9.089 -12.671 1.00 65.24 H new ATOM 0 HH11 ARG A 10 11.153 9.337 -9.911 1.00 62.32 H new ATOM 0 HH12 ARG A 10 10.696 11.006 -9.552 1.00 62.32 H new ATOM 0 HH21 ARG A 10 8.384 11.231 -12.204 1.00 24.35 H new ATOM 0 HH22 ARG A 10 9.134 12.074 -10.845 1.00 24.35 H new ATOM 168 N LEU A 11 13.511 3.692 -12.259 1.00 42.25 N ATOM 169 CA LEU A 11 14.581 2.701 -12.307 1.00 51.42 C ATOM 170 C LEU A 11 14.477 1.848 -13.567 1.00 34.42 C ATOM 171 O LEU A 11 15.483 1.541 -14.206 1.00 34.44 O ATOM 172 CB LEU A 11 14.531 1.808 -11.066 1.00 42.23 C ATOM 173 CG LEU A 11 15.847 1.644 -10.305 1.00 31.43 C ATOM 174 CD1 LEU A 11 16.399 3.000 -9.894 1.00 65.34 C ATOM 175 CD2 LEU A 11 15.650 0.755 -9.085 1.00 74.23 C ATOM 0 H LEU A 11 12.893 3.607 -11.452 1.00 42.25 H new ATOM 0 HA LEU A 11 15.533 3.231 -12.328 1.00 51.42 H new ATOM 0 HB2 LEU A 11 13.786 2.213 -10.381 1.00 42.23 H new ATOM 0 HB3 LEU A 11 14.183 0.820 -11.367 1.00 42.23 H new ATOM 0 HG LEU A 11 16.570 1.166 -10.966 1.00 31.43 H new ATOM 0 HD11 LEU A 11 17.336 2.863 -9.354 1.00 65.34 H new ATOM 0 HD12 LEU A 11 16.578 3.605 -10.783 1.00 65.34 H new ATOM 0 HD13 LEU A 11 15.679 3.506 -9.250 1.00 65.34 H new ATOM 0 HD21 LEU A 11 16.597 0.649 -8.555 1.00 74.23 H new ATOM 0 HD22 LEU A 11 14.912 1.206 -8.422 1.00 74.23 H new ATOM 0 HD23 LEU A 11 15.300 -0.227 -9.403 1.00 74.23 H new ATOM 187 N ALA A 12 13.252 1.469 -13.919 1.00 43.22 N ATOM 188 CA ALA A 12 13.016 0.655 -15.105 1.00 20.22 C ATOM 189 C ALA A 12 13.487 1.371 -16.366 1.00 14.42 C ATOM 190 O ALA A 12 14.172 0.787 -17.204 1.00 74.44 O ATOM 191 CB ALA A 12 11.541 0.301 -15.216 1.00 75.52 C ATOM 0 H ALA A 12 12.409 1.713 -13.400 1.00 43.22 H new ATOM 0 HA ALA A 12 13.593 -0.264 -15.005 1.00 20.22 H new ATOM 0 HB1 ALA A 12 11.379 -0.307 -16.106 1.00 75.52 H new ATOM 0 HB2 ALA A 12 11.234 -0.259 -14.333 1.00 75.52 H new ATOM 0 HB3 ALA A 12 10.952 1.215 -15.289 1.00 75.52 H new ATOM 197 N ALA A 13 13.114 2.641 -16.494 1.00 30.34 N ATOM 198 CA ALA A 13 13.499 3.437 -17.652 1.00 3.11 C ATOM 199 C ALA A 13 15.012 3.621 -17.713 1.00 11.31 C ATOM 200 O ALA A 13 15.615 3.529 -18.783 1.00 10.35 O ATOM 201 CB ALA A 13 12.802 4.789 -17.619 1.00 0.05 C ATOM 0 H ALA A 13 12.546 3.140 -15.809 1.00 30.34 H new ATOM 0 HA ALA A 13 13.188 2.902 -18.549 1.00 3.11 H new ATOM 0 HB1 ALA A 13 13.099 5.373 -18.490 1.00 0.05 H new ATOM 0 HB2 ALA A 13 11.722 4.642 -17.632 1.00 0.05 H new ATOM 0 HB3 ALA A 13 13.085 5.322 -16.711 1.00 0.05 H new ATOM 207 N ILE A 14 15.618 3.882 -16.560 1.00 4.21 N ATOM 208 CA ILE A 14 17.061 4.079 -16.483 1.00 74.23 C ATOM 209 C ILE A 14 17.810 2.817 -16.896 1.00 22.42 C ATOM 210 O ILE A 14 18.813 2.881 -17.607 1.00 71.14 O ATOM 211 CB ILE A 14 17.499 4.482 -15.063 1.00 22.30 C ATOM 212 CG1 ILE A 14 16.832 5.796 -14.653 1.00 42.43 C ATOM 213 CG2 ILE A 14 19.014 4.605 -14.991 1.00 51.14 C ATOM 214 CD1 ILE A 14 16.574 5.906 -13.167 1.00 24.42 C ATOM 0 H ILE A 14 15.133 3.962 -15.666 1.00 4.21 H new ATOM 0 HA ILE A 14 17.307 4.887 -17.172 1.00 74.23 H new ATOM 0 HB ILE A 14 17.184 3.704 -14.367 1.00 22.30 H new ATOM 0 HG12 ILE A 14 17.463 6.627 -14.966 1.00 42.43 H new ATOM 0 HG13 ILE A 14 15.886 5.896 -15.186 1.00 42.43 H new ATOM 0 HG21 ILE A 14 19.308 4.890 -13.981 1.00 51.14 H new ATOM 0 HG22 ILE A 14 19.469 3.648 -15.245 1.00 51.14 H new ATOM 0 HG23 ILE A 14 19.351 5.365 -15.696 1.00 51.14 H new ATOM 0 HD11 ILE A 14 16.100 6.863 -12.950 1.00 24.42 H new ATOM 0 HD12 ILE A 14 15.917 5.095 -12.851 1.00 24.42 H new ATOM 0 HD13 ILE A 14 17.519 5.839 -12.628 1.00 24.42 H new ATOM 226 N LYS A 15 17.316 1.668 -16.446 1.00 3.12 N ATOM 227 CA LYS A 15 17.936 0.389 -16.770 1.00 22.22 C ATOM 228 C LYS A 15 17.817 0.089 -18.261 1.00 24.44 C ATOM 229 O LYS A 15 18.779 -0.345 -18.896 1.00 72.42 O ATOM 230 CB LYS A 15 17.288 -0.735 -15.959 1.00 74.50 C ATOM 231 CG LYS A 15 18.290 -1.686 -15.327 1.00 12.43 C ATOM 232 CD LYS A 15 17.853 -3.134 -15.471 1.00 12.24 C ATOM 233 CE LYS A 15 18.776 -4.073 -14.709 1.00 51.22 C ATOM 234 NZ LYS A 15 18.764 -3.797 -13.246 1.00 12.41 N ATOM 0 H LYS A 15 16.487 1.597 -15.855 1.00 3.12 H new ATOM 0 HA LYS A 15 18.994 0.451 -16.513 1.00 22.22 H new ATOM 0 HB2 LYS A 15 16.672 -0.296 -15.174 1.00 74.50 H new ATOM 0 HB3 LYS A 15 16.621 -1.302 -16.609 1.00 74.50 H new ATOM 0 HG2 LYS A 15 19.265 -1.551 -15.794 1.00 12.43 H new ATOM 0 HG3 LYS A 15 18.407 -1.444 -14.271 1.00 12.43 H new ATOM 0 HD2 LYS A 15 16.833 -3.246 -15.102 1.00 12.24 H new ATOM 0 HD3 LYS A 15 17.843 -3.409 -16.526 1.00 12.24 H new ATOM 0 HE2 LYS A 15 18.471 -5.104 -14.886 1.00 51.22 H new ATOM 0 HE3 LYS A 15 19.792 -3.971 -15.089 1.00 51.22 H new ATOM 0 HZ1 LYS A 15 19.146 -4.618 -12.735 1.00 12.41 H new ATOM 0 HZ2 LYS A 15 19.350 -2.962 -13.046 1.00 12.41 H new ATOM 0 HZ3 LYS A 15 17.788 -3.618 -12.934 1.00 12.41 H new ATOM 248 N THR A 16 16.632 0.324 -18.814 1.00 72.24 N ATOM 249 CA THR A 16 16.388 0.079 -20.230 1.00 75.12 C ATOM 250 C THR A 16 17.360 0.867 -21.100 1.00 54.52 C ATOM 251 O THR A 16 18.091 0.294 -21.907 1.00 60.52 O ATOM 252 CB THR A 16 14.946 0.451 -20.624 1.00 53.21 C ATOM 253 OG1 THR A 16 14.025 -0.066 -19.657 1.00 53.32 O ATOM 254 CG2 THR A 16 14.603 -0.096 -22.002 1.00 12.54 C ATOM 0 H THR A 16 15.826 0.684 -18.303 1.00 72.24 H new ATOM 0 HA THR A 16 16.539 -0.988 -20.397 1.00 75.12 H new ATOM 0 HB THR A 16 14.870 1.538 -20.653 1.00 53.21 H new ATOM 0 HG1 THR A 16 13.916 0.582 -18.930 1.00 53.32 H new ATOM 0 HG21 THR A 16 13.580 0.179 -22.258 1.00 12.54 H new ATOM 0 HG22 THR A 16 15.287 0.322 -22.740 1.00 12.54 H new ATOM 0 HG23 THR A 16 14.696 -1.182 -21.996 1.00 12.54 H new ATOM 262 N ARG A 17 17.363 2.186 -20.931 1.00 30.45 N ATOM 263 CA ARG A 17 18.246 3.053 -21.701 1.00 74.13 C ATOM 264 C ARG A 17 19.710 2.732 -21.415 1.00 35.50 C ATOM 265 O ARG A 17 20.560 2.823 -22.301 1.00 2.01 O ATOM 266 CB ARG A 17 17.962 4.521 -21.379 1.00 2.24 C ATOM 267 CG ARG A 17 16.781 5.096 -22.144 1.00 23.03 C ATOM 268 CD ARG A 17 15.845 5.866 -21.226 1.00 52.52 C ATOM 269 NE ARG A 17 14.506 5.995 -21.794 1.00 55.21 N ATOM 270 CZ ARG A 17 13.498 6.595 -21.171 1.00 14.41 C ATOM 271 NH1 ARG A 17 13.676 7.119 -19.966 1.00 45.42 N ATOM 272 NH2 ARG A 17 12.308 6.673 -21.753 1.00 73.40 N ATOM 0 H ARG A 17 16.764 2.677 -20.268 1.00 30.45 H new ATOM 0 HA ARG A 17 18.054 2.876 -22.759 1.00 74.13 H new ATOM 0 HB2 ARG A 17 17.774 4.620 -20.310 1.00 2.24 H new ATOM 0 HB3 ARG A 17 18.851 5.111 -21.602 1.00 2.24 H new ATOM 0 HG2 ARG A 17 17.143 5.756 -22.933 1.00 23.03 H new ATOM 0 HG3 ARG A 17 16.233 4.289 -22.630 1.00 23.03 H new ATOM 0 HD2 ARG A 17 15.783 5.359 -20.263 1.00 52.52 H new ATOM 0 HD3 ARG A 17 16.256 6.858 -21.038 1.00 52.52 H new ATOM 0 HE ARG A 17 14.335 5.603 -22.720 1.00 55.21 H new ATOM 0 HH11 ARG A 17 14.589 7.062 -19.515 1.00 45.42 H new ATOM 0 HH12 ARG A 17 12.900 7.579 -19.490 1.00 45.42 H new ATOM 0 HH21 ARG A 17 12.166 6.272 -22.680 1.00 73.40 H new ATOM 0 HH22 ARG A 17 11.535 7.134 -21.273 1.00 73.40 H new ATOM 286 N CYS A 18 19.995 2.356 -20.173 1.00 63.24 N ATOM 287 CA CYS A 18 21.357 2.022 -19.770 1.00 14.14 C ATOM 288 C CYS A 18 21.820 0.731 -20.436 1.00 22.22 C ATOM 289 O CYS A 18 23.002 0.567 -20.738 1.00 11.14 O ATOM 290 CB CYS A 18 21.440 1.884 -18.249 1.00 4.32 C ATOM 291 SG CYS A 18 22.965 1.111 -17.661 1.00 4.14 S ATOM 0 H CYS A 18 19.302 2.275 -19.429 1.00 63.24 H new ATOM 0 HA CYS A 18 22.014 2.830 -20.091 1.00 14.14 H new ATOM 0 HB2 CYS A 18 21.350 2.873 -17.800 1.00 4.32 H new ATOM 0 HB3 CYS A 18 20.590 1.297 -17.901 1.00 4.32 H new ATOM 0 HG CYS A 18 22.678 0.018 -17.018 1.00 4.14 H new ATOM 297 N GLN A 19 20.882 -0.183 -20.660 1.00 74.13 N ATOM 298 CA GLN A 19 21.195 -1.461 -21.289 1.00 21.15 C ATOM 299 C GLN A 19 21.428 -1.289 -22.786 1.00 34.01 C ATOM 300 O GLN A 19 22.353 -1.871 -23.351 1.00 42.30 O ATOM 301 CB GLN A 19 20.064 -2.463 -21.048 1.00 4.23 C ATOM 302 CG GLN A 19 19.896 -2.850 -19.587 1.00 73.35 C ATOM 303 CD GLN A 19 20.437 -4.233 -19.284 1.00 65.44 C ATOM 304 OE1 GLN A 19 19.787 -5.242 -19.561 1.00 42.20 O ATOM 305 NE2 GLN A 19 21.635 -4.288 -18.713 1.00 31.31 N ATOM 0 H GLN A 19 19.899 -0.063 -20.415 1.00 74.13 H new ATOM 0 HA GLN A 19 22.111 -1.843 -20.839 1.00 21.15 H new ATOM 0 HB2 GLN A 19 19.129 -2.038 -21.413 1.00 4.23 H new ATOM 0 HB3 GLN A 19 20.255 -3.362 -21.634 1.00 4.23 H new ATOM 0 HG2 GLN A 19 20.407 -2.119 -18.960 1.00 73.35 H new ATOM 0 HG3 GLN A 19 18.839 -2.812 -19.324 1.00 73.35 H new ATOM 0 HE21 GLN A 19 22.139 -3.427 -18.501 1.00 31.31 H new ATOM 0 HE22 GLN A 19 22.051 -5.191 -18.487 1.00 31.31 H new ATOM 314 N ALA A 20 20.581 -0.487 -23.423 1.00 11.31 N ATOM 315 CA ALA A 20 20.695 -0.237 -24.854 1.00 44.13 C ATOM 316 C ALA A 20 21.835 0.731 -25.153 1.00 64.34 C ATOM 317 O ALA A 20 22.458 0.664 -26.214 1.00 55.45 O ATOM 318 CB ALA A 20 19.383 0.305 -25.402 1.00 63.21 C ATOM 0 H ALA A 20 19.808 0.001 -22.970 1.00 11.31 H new ATOM 0 HA ALA A 20 20.918 -1.184 -25.346 1.00 44.13 H new ATOM 0 HB1 ALA A 20 19.483 0.487 -26.472 1.00 63.21 H new ATOM 0 HB2 ALA A 20 18.589 -0.422 -25.230 1.00 63.21 H new ATOM 0 HB3 ALA A 20 19.136 1.239 -24.897 1.00 63.21 H new ATOM 324 N LEU A 21 22.104 1.629 -24.213 1.00 4.32 N ATOM 325 CA LEU A 21 23.170 2.612 -24.376 1.00 1.11 C ATOM 326 C LEU A 21 23.017 3.368 -25.692 1.00 12.23 C ATOM 327 O LEU A 21 23.993 3.869 -26.249 1.00 73.42 O ATOM 328 CB LEU A 21 24.536 1.925 -24.325 1.00 40.42 C ATOM 329 CG LEU A 21 24.991 1.436 -22.950 1.00 34.13 C ATOM 330 CD1 LEU A 21 26.357 0.775 -23.043 1.00 42.20 C ATOM 331 CD2 LEU A 21 25.020 2.588 -21.956 1.00 40.44 C ATOM 0 H LEU A 21 21.599 1.697 -23.329 1.00 4.32 H new ATOM 0 HA LEU A 21 23.099 3.328 -23.557 1.00 1.11 H new ATOM 0 HB2 LEU A 21 24.517 1.072 -25.004 1.00 40.42 H new ATOM 0 HB3 LEU A 21 25.284 2.620 -24.707 1.00 40.42 H new ATOM 0 HG LEU A 21 24.275 0.695 -22.595 1.00 34.13 H new ATOM 0 HD11 LEU A 21 26.664 0.433 -22.054 1.00 42.20 H new ATOM 0 HD12 LEU A 21 26.304 -0.077 -23.721 1.00 42.20 H new ATOM 0 HD13 LEU A 21 27.084 1.494 -23.420 1.00 42.20 H new ATOM 0 HD21 LEU A 21 25.346 2.221 -20.983 1.00 40.44 H new ATOM 0 HD22 LEU A 21 25.713 3.353 -22.306 1.00 40.44 H new ATOM 0 HD23 LEU A 21 24.022 3.016 -21.866 1.00 40.44 H new ATOM 343 N GLY A 22 21.783 3.449 -26.182 1.00 65.10 N ATOM 344 CA GLY A 22 21.525 4.148 -27.427 1.00 75.54 C ATOM 345 C GLY A 22 20.534 5.282 -27.260 1.00 54.33 C ATOM 346 O GLY A 22 20.432 6.158 -28.118 1.00 54.13 O ATOM 0 H GLY A 22 20.959 3.043 -25.739 1.00 65.10 H new ATOM 0 HA2 GLY A 22 22.462 4.543 -27.819 1.00 75.54 H new ATOM 0 HA3 GLY A 22 21.143 3.442 -28.164 1.00 75.54 H new ATOM 350 N GLY A 23 19.799 5.267 -26.152 1.00 21.50 N ATOM 351 CA GLY A 23 18.819 6.306 -25.896 1.00 44.24 C ATOM 352 C GLY A 23 19.405 7.698 -26.022 1.00 43.51 C ATOM 353 O GLY A 23 18.775 8.596 -26.581 1.00 45.31 O ATOM 0 H GLY A 23 19.865 4.553 -25.427 1.00 21.50 H new ATOM 0 HA2 GLY A 23 17.990 6.199 -26.595 1.00 44.24 H new ATOM 0 HA3 GLY A 23 18.410 6.177 -24.894 1.00 44.24 H new ATOM 357 N SER A 24 20.614 7.880 -25.499 1.00 71.34 N ATOM 358 CA SER A 24 21.283 9.174 -25.551 1.00 12.42 C ATOM 359 C SER A 24 22.649 9.107 -24.875 1.00 12.44 C ATOM 360 O SER A 24 22.751 8.793 -23.689 1.00 61.25 O ATOM 361 CB SER A 24 20.420 10.245 -24.879 1.00 24.31 C ATOM 362 OG SER A 24 19.645 10.948 -25.834 1.00 14.03 O ATOM 0 H SER A 24 21.150 7.147 -25.034 1.00 71.34 H new ATOM 0 HA SER A 24 21.428 9.439 -26.598 1.00 12.42 H new ATOM 0 HB2 SER A 24 19.763 9.779 -24.145 1.00 24.31 H new ATOM 0 HB3 SER A 24 21.058 10.944 -24.338 1.00 24.31 H new ATOM 0 HG SER A 24 19.019 10.330 -26.266 1.00 14.03 H new ATOM 368 N GLU A 25 23.695 9.406 -25.638 1.00 63.21 N ATOM 369 CA GLU A 25 25.055 9.379 -25.113 1.00 65.31 C ATOM 370 C GLU A 25 25.168 10.226 -23.849 1.00 51.43 C ATOM 371 O GLU A 25 25.997 9.958 -22.981 1.00 21.33 O ATOM 372 CB GLU A 25 26.043 9.882 -26.168 1.00 1.32 C ATOM 373 CG GLU A 25 25.613 11.178 -26.834 1.00 44.33 C ATOM 374 CD GLU A 25 26.685 12.249 -26.773 1.00 43.11 C ATOM 375 OE1 GLU A 25 27.830 11.966 -27.184 1.00 61.22 O ATOM 376 OE2 GLU A 25 26.380 13.370 -26.314 1.00 60.52 O ATOM 0 H GLU A 25 23.627 9.670 -26.621 1.00 63.21 H new ATOM 0 HA GLU A 25 25.299 8.347 -24.860 1.00 65.31 H new ATOM 0 HB2 GLU A 25 27.017 10.029 -25.701 1.00 1.32 H new ATOM 0 HB3 GLU A 25 26.168 9.115 -26.932 1.00 1.32 H new ATOM 0 HG2 GLU A 25 25.361 10.980 -27.876 1.00 44.33 H new ATOM 0 HG3 GLU A 25 24.708 11.547 -26.352 1.00 44.33 H new ATOM 383 N ALA A 26 24.328 11.252 -23.755 1.00 73.20 N ATOM 384 CA ALA A 26 24.331 12.138 -22.598 1.00 0.30 C ATOM 385 C ALA A 26 23.465 11.578 -21.475 1.00 13.41 C ATOM 386 O ALA A 26 23.763 11.768 -20.296 1.00 54.32 O ATOM 387 CB ALA A 26 23.851 13.526 -22.995 1.00 42.43 C ATOM 0 H ALA A 26 23.637 11.490 -24.467 1.00 73.20 H new ATOM 0 HA ALA A 26 25.354 12.211 -22.230 1.00 0.30 H new ATOM 0 HB1 ALA A 26 23.858 14.177 -22.121 1.00 42.43 H new ATOM 0 HB2 ALA A 26 24.513 13.935 -23.758 1.00 42.43 H new ATOM 0 HB3 ALA A 26 22.837 13.461 -23.391 1.00 42.43 H new ATOM 393 N GLU A 27 22.392 10.889 -21.849 1.00 73.40 N ATOM 394 CA GLU A 27 21.482 10.303 -20.872 1.00 32.14 C ATOM 395 C GLU A 27 22.249 9.492 -19.831 1.00 44.41 C ATOM 396 O GLU A 27 21.847 9.414 -18.670 1.00 3.24 O ATOM 397 CB GLU A 27 20.452 9.412 -21.570 1.00 2.11 C ATOM 398 CG GLU A 27 19.076 10.047 -21.684 1.00 64.44 C ATOM 399 CD GLU A 27 18.037 9.091 -22.237 1.00 63.43 C ATOM 400 OE1 GLU A 27 18.360 7.897 -22.408 1.00 61.44 O ATOM 401 OE2 GLU A 27 16.901 9.537 -22.499 1.00 14.34 O ATOM 0 H GLU A 27 22.131 10.723 -22.821 1.00 73.40 H new ATOM 0 HA GLU A 27 20.964 11.116 -20.364 1.00 32.14 H new ATOM 0 HB2 GLU A 27 20.814 9.167 -22.569 1.00 2.11 H new ATOM 0 HB3 GLU A 27 20.366 8.473 -21.023 1.00 2.11 H new ATOM 0 HG2 GLU A 27 18.758 10.395 -20.701 1.00 64.44 H new ATOM 0 HG3 GLU A 27 19.137 10.924 -22.328 1.00 64.44 H new ATOM 408 N CYS A 28 23.355 8.891 -20.256 1.00 51.22 N ATOM 409 CA CYS A 28 24.179 8.085 -19.362 1.00 51.14 C ATOM 410 C CYS A 28 24.505 8.851 -18.084 1.00 53.25 C ATOM 411 O CYS A 28 24.418 8.308 -16.984 1.00 23.51 O ATOM 412 CB CYS A 28 25.472 7.667 -20.065 1.00 13.52 C ATOM 413 SG CYS A 28 25.215 6.818 -21.640 1.00 53.11 S ATOM 0 H CYS A 28 23.702 8.947 -21.214 1.00 51.22 H new ATOM 0 HA CYS A 28 23.615 7.192 -19.094 1.00 51.14 H new ATOM 0 HB2 CYS A 28 26.082 8.554 -20.238 1.00 13.52 H new ATOM 0 HB3 CYS A 28 26.039 7.015 -19.401 1.00 13.52 H new ATOM 0 HG CYS A 28 26.366 6.507 -22.158 1.00 53.11 H new ATOM 419 N ALA A 29 24.881 10.116 -18.239 1.00 1.40 N ATOM 420 CA ALA A 29 25.220 10.957 -17.098 1.00 13.53 C ATOM 421 C ALA A 29 24.045 11.072 -16.132 1.00 71.22 C ATOM 422 O ALA A 29 24.194 10.856 -14.930 1.00 21.11 O ATOM 423 CB ALA A 29 25.654 12.337 -17.569 1.00 51.33 C ATOM 0 H ALA A 29 24.959 10.581 -19.144 1.00 1.40 H new ATOM 0 HA ALA A 29 26.049 10.489 -16.567 1.00 13.53 H new ATOM 0 HB1 ALA A 29 25.904 12.954 -16.706 1.00 51.33 H new ATOM 0 HB2 ALA A 29 26.528 12.243 -18.214 1.00 51.33 H new ATOM 0 HB3 ALA A 29 24.841 12.804 -18.125 1.00 51.33 H new ATOM 429 N ALA A 30 22.877 11.413 -16.667 1.00 11.25 N ATOM 430 CA ALA A 30 21.676 11.555 -15.852 1.00 25.20 C ATOM 431 C ALA A 30 21.397 10.282 -15.060 1.00 21.00 C ATOM 432 O ALA A 30 20.960 10.338 -13.910 1.00 74.45 O ATOM 433 CB ALA A 30 20.483 11.906 -16.728 1.00 11.53 C ATOM 0 H ALA A 30 22.737 11.596 -17.661 1.00 11.25 H new ATOM 0 HA ALA A 30 21.842 12.365 -15.141 1.00 25.20 H new ATOM 0 HB1 ALA A 30 19.593 12.009 -16.107 1.00 11.53 H new ATOM 0 HB2 ALA A 30 20.675 12.846 -17.245 1.00 11.53 H new ATOM 0 HB3 ALA A 30 20.324 11.115 -17.461 1.00 11.53 H new ATOM 439 N PHE A 31 21.652 9.136 -15.682 1.00 71.31 N ATOM 440 CA PHE A 31 21.426 7.848 -15.035 1.00 41.34 C ATOM 441 C PHE A 31 22.360 7.668 -13.842 1.00 60.33 C ATOM 442 O PHE A 31 21.925 7.299 -12.752 1.00 5.23 O ATOM 443 CB PHE A 31 21.631 6.708 -16.035 1.00 43.42 C ATOM 444 CG PHE A 31 20.641 6.716 -17.165 1.00 2.23 C ATOM 445 CD1 PHE A 31 19.323 7.083 -16.946 1.00 3.43 C ATOM 446 CD2 PHE A 31 21.028 6.356 -18.445 1.00 64.33 C ATOM 447 CE1 PHE A 31 18.410 7.092 -17.983 1.00 33.01 C ATOM 448 CE2 PHE A 31 20.119 6.363 -19.486 1.00 65.24 C ATOM 449 CZ PHE A 31 18.808 6.730 -19.255 1.00 3.23 C ATOM 0 H PHE A 31 22.015 9.072 -16.633 1.00 71.31 H new ATOM 0 HA PHE A 31 20.397 7.825 -14.675 1.00 41.34 H new ATOM 0 HB2 PHE A 31 22.639 6.772 -16.445 1.00 43.42 H new ATOM 0 HB3 PHE A 31 21.561 5.756 -15.508 1.00 43.42 H new ATOM 0 HD1 PHE A 31 19.006 7.365 -15.953 1.00 3.43 H new ATOM 0 HD2 PHE A 31 22.052 6.067 -18.632 1.00 64.33 H new ATOM 0 HE1 PHE A 31 17.386 7.382 -17.799 1.00 33.01 H new ATOM 0 HE2 PHE A 31 20.434 6.081 -20.480 1.00 65.24 H new ATOM 0 HZ PHE A 31 18.096 6.734 -20.067 1.00 3.23 H new ATOM 459 N GLU A 32 23.645 7.930 -14.059 1.00 61.43 N ATOM 460 CA GLU A 32 24.641 7.794 -13.002 1.00 53.54 C ATOM 461 C GLU A 32 24.261 8.635 -11.786 1.00 74.55 C ATOM 462 O GLU A 32 24.249 8.144 -10.657 1.00 45.02 O ATOM 463 CB GLU A 32 26.020 8.213 -13.514 1.00 44.44 C ATOM 464 CG GLU A 32 26.957 7.044 -13.767 1.00 30.25 C ATOM 465 CD GLU A 32 28.419 7.443 -13.705 1.00 35.15 C ATOM 466 OE1 GLU A 32 28.739 8.407 -12.978 1.00 63.12 O ATOM 467 OE2 GLU A 32 29.241 6.792 -14.382 1.00 1.01 O ATOM 0 H GLU A 32 24.021 8.237 -14.956 1.00 61.43 H new ATOM 0 HA GLU A 32 24.675 6.747 -12.702 1.00 53.54 H new ATOM 0 HB2 GLU A 32 25.899 8.777 -14.439 1.00 44.44 H new ATOM 0 HB3 GLU A 32 26.479 8.885 -12.789 1.00 44.44 H new ATOM 0 HG2 GLU A 32 26.766 6.264 -13.030 1.00 30.25 H new ATOM 0 HG3 GLU A 32 26.742 6.617 -14.746 1.00 30.25 H new ATOM 474 N LYS A 33 23.950 9.904 -12.026 1.00 1.14 N ATOM 475 CA LYS A 33 23.569 10.814 -10.952 1.00 54.22 C ATOM 476 C LYS A 33 22.232 10.405 -10.342 1.00 11.54 C ATOM 477 O LYS A 33 22.129 10.202 -9.133 1.00 35.15 O ATOM 478 CB LYS A 33 23.484 12.249 -11.478 1.00 73.21 C ATOM 479 CG LYS A 33 24.554 13.168 -10.914 1.00 72.44 C ATOM 480 CD LYS A 33 25.595 13.520 -11.963 1.00 64.32 C ATOM 481 CE LYS A 33 26.078 14.954 -11.810 1.00 51.10 C ATOM 482 NZ LYS A 33 27.554 15.063 -11.971 1.00 23.25 N ATOM 0 H LYS A 33 23.954 10.326 -12.955 1.00 1.14 H new ATOM 0 HA LYS A 33 24.333 10.762 -10.177 1.00 54.22 H new ATOM 0 HB2 LYS A 33 23.566 12.234 -12.565 1.00 73.21 H new ATOM 0 HB3 LYS A 33 22.502 12.658 -11.238 1.00 73.21 H new ATOM 0 HG2 LYS A 33 24.091 14.081 -10.539 1.00 72.44 H new ATOM 0 HG3 LYS A 33 25.039 12.685 -10.066 1.00 72.44 H new ATOM 0 HD2 LYS A 33 26.442 12.839 -11.879 1.00 64.32 H new ATOM 0 HD3 LYS A 33 25.172 13.382 -12.958 1.00 64.32 H new ATOM 0 HE2 LYS A 33 25.585 15.584 -12.550 1.00 51.10 H new ATOM 0 HE3 LYS A 33 25.791 15.331 -10.828 1.00 51.10 H new ATOM 0 HZ1 LYS A 33 27.843 16.056 -11.860 1.00 23.25 H new ATOM 0 HZ2 LYS A 33 28.026 14.482 -11.249 1.00 23.25 H new ATOM 0 HZ3 LYS A 33 27.826 14.727 -12.917 1.00 23.25 H new ATOM 496 N GLU A 34 21.212 10.286 -11.186 1.00 42.23 N ATOM 497 CA GLU A 34 19.883 9.901 -10.728 1.00 74.11 C ATOM 498 C GLU A 34 19.947 8.642 -9.869 1.00 21.44 C ATOM 499 O GLU A 34 19.371 8.589 -8.782 1.00 12.23 O ATOM 500 CB GLU A 34 18.955 9.670 -11.922 1.00 75.53 C ATOM 501 CG GLU A 34 18.465 10.954 -12.571 1.00 24.42 C ATOM 502 CD GLU A 34 17.336 11.605 -11.797 1.00 33.45 C ATOM 503 OE1 GLU A 34 16.210 11.065 -11.822 1.00 21.43 O ATOM 504 OE2 GLU A 34 17.578 12.654 -11.165 1.00 1.50 O ATOM 0 H GLU A 34 21.281 10.451 -12.190 1.00 42.23 H new ATOM 0 HA GLU A 34 19.486 10.715 -10.121 1.00 74.11 H new ATOM 0 HB2 GLU A 34 19.479 9.073 -12.668 1.00 75.53 H new ATOM 0 HB3 GLU A 34 18.094 9.087 -11.595 1.00 75.53 H new ATOM 0 HG2 GLU A 34 19.296 11.655 -12.653 1.00 24.42 H new ATOM 0 HG3 GLU A 34 18.128 10.739 -13.585 1.00 24.42 H new ATOM 511 N ILE A 35 20.651 7.630 -10.364 1.00 65.31 N ATOM 512 CA ILE A 35 20.792 6.371 -9.642 1.00 52.31 C ATOM 513 C ILE A 35 21.500 6.579 -8.308 1.00 12.24 C ATOM 514 O ILE A 35 21.097 6.023 -7.287 1.00 23.25 O ATOM 515 CB ILE A 35 21.573 5.332 -10.468 1.00 55.23 C ATOM 516 CG1 ILE A 35 20.741 4.874 -11.668 1.00 64.14 C ATOM 517 CG2 ILE A 35 21.957 4.145 -9.599 1.00 31.53 C ATOM 518 CD1 ILE A 35 19.543 4.034 -11.288 1.00 33.43 C ATOM 0 H ILE A 35 21.133 7.657 -11.263 1.00 65.31 H new ATOM 0 HA ILE A 35 19.784 5.996 -9.462 1.00 52.31 H new ATOM 0 HB ILE A 35 22.487 5.796 -10.839 1.00 55.23 H new ATOM 0 HG12 ILE A 35 20.400 5.751 -12.219 1.00 64.14 H new ATOM 0 HG13 ILE A 35 21.377 4.301 -12.343 1.00 64.14 H new ATOM 0 HG21 ILE A 35 22.508 3.419 -10.197 1.00 31.53 H new ATOM 0 HG22 ILE A 35 22.583 4.485 -8.774 1.00 31.53 H new ATOM 0 HG23 ILE A 35 21.056 3.678 -9.202 1.00 31.53 H new ATOM 0 HD11 ILE A 35 19.001 3.746 -12.188 1.00 33.43 H new ATOM 0 HD12 ILE A 35 19.878 3.139 -10.764 1.00 33.43 H new ATOM 0 HD13 ILE A 35 18.886 4.611 -10.638 1.00 33.43 H new ATOM 530 N ALA A 36 22.556 7.386 -8.324 1.00 20.32 N ATOM 531 CA ALA A 36 23.318 7.671 -7.114 1.00 61.34 C ATOM 532 C ALA A 36 22.415 8.210 -6.011 1.00 12.14 C ATOM 533 O ALA A 36 22.467 7.747 -4.871 1.00 51.45 O ATOM 534 CB ALA A 36 24.435 8.659 -7.415 1.00 41.11 C ATOM 0 H ALA A 36 22.903 7.854 -9.161 1.00 20.32 H new ATOM 0 HA ALA A 36 23.758 6.738 -6.763 1.00 61.34 H new ATOM 0 HB1 ALA A 36 24.996 8.863 -6.503 1.00 41.11 H new ATOM 0 HB2 ALA A 36 25.103 8.235 -8.165 1.00 41.11 H new ATOM 0 HB3 ALA A 36 24.007 9.588 -7.793 1.00 41.11 H new ATOM 540 N ALA A 37 21.588 9.191 -6.356 1.00 13.41 N ATOM 541 CA ALA A 37 20.672 9.793 -5.394 1.00 61.43 C ATOM 542 C ALA A 37 19.555 8.824 -5.020 1.00 42.21 C ATOM 543 O ALA A 37 19.058 8.839 -3.894 1.00 3.13 O ATOM 544 CB ALA A 37 20.090 11.082 -5.955 1.00 32.33 C ATOM 0 H ALA A 37 21.533 9.586 -7.295 1.00 13.41 H new ATOM 0 HA ALA A 37 21.234 10.025 -4.489 1.00 61.43 H new ATOM 0 HB1 ALA A 37 19.408 11.521 -5.227 1.00 32.33 H new ATOM 0 HB2 ALA A 37 20.897 11.784 -6.166 1.00 32.33 H new ATOM 0 HB3 ALA A 37 19.548 10.866 -6.875 1.00 32.33 H new ATOM 550 N PHE A 38 19.164 7.983 -5.972 1.00 10.22 N ATOM 551 CA PHE A 38 18.104 7.008 -5.742 1.00 51.53 C ATOM 552 C PHE A 38 18.502 6.019 -4.652 1.00 22.55 C ATOM 553 O PHE A 38 17.799 5.863 -3.654 1.00 12.00 O ATOM 554 CB PHE A 38 17.784 6.257 -7.036 1.00 51.33 C ATOM 555 CG PHE A 38 16.447 6.614 -7.621 1.00 61.43 C ATOM 556 CD1 PHE A 38 16.071 7.939 -7.766 1.00 54.20 C ATOM 557 CD2 PHE A 38 15.567 5.623 -8.027 1.00 44.11 C ATOM 558 CE1 PHE A 38 14.841 8.270 -8.303 1.00 71.43 C ATOM 559 CE2 PHE A 38 14.336 5.948 -8.565 1.00 64.55 C ATOM 560 CZ PHE A 38 13.973 7.273 -8.705 1.00 22.34 C ATOM 0 H PHE A 38 19.565 7.957 -6.910 1.00 10.22 H new ATOM 0 HA PHE A 38 17.215 7.546 -5.413 1.00 51.53 H new ATOM 0 HB2 PHE A 38 18.561 6.468 -7.771 1.00 51.33 H new ATOM 0 HB3 PHE A 38 17.812 5.185 -6.841 1.00 51.33 H new ATOM 0 HD1 PHE A 38 16.746 8.723 -7.456 1.00 54.20 H new ATOM 0 HD2 PHE A 38 15.846 4.585 -7.922 1.00 44.11 H new ATOM 0 HE1 PHE A 38 14.559 9.307 -8.408 1.00 71.43 H new ATOM 0 HE2 PHE A 38 13.659 5.166 -8.876 1.00 64.55 H new ATOM 0 HZ PHE A 38 13.013 7.529 -9.128 1.00 22.34 H new ATOM 570 N GLU A 39 19.635 5.352 -4.851 1.00 31.24 N ATOM 571 CA GLU A 39 20.126 4.376 -3.885 1.00 31.12 C ATOM 572 C GLU A 39 20.513 5.055 -2.574 1.00 72.21 C ATOM 573 O GLU A 39 20.323 4.496 -1.494 1.00 10.33 O ATOM 574 CB GLU A 39 21.328 3.621 -4.455 1.00 45.23 C ATOM 575 CG GLU A 39 22.570 4.483 -4.612 1.00 13.40 C ATOM 576 CD GLU A 39 23.382 4.574 -3.335 1.00 22.11 C ATOM 577 OE1 GLU A 39 23.592 3.526 -2.689 1.00 44.12 O ATOM 578 OE2 GLU A 39 23.808 5.694 -2.982 1.00 21.44 O ATOM 0 H GLU A 39 20.229 5.470 -5.672 1.00 31.24 H new ATOM 0 HA GLU A 39 19.323 3.667 -3.684 1.00 31.12 H new ATOM 0 HB2 GLU A 39 21.560 2.779 -3.803 1.00 45.23 H new ATOM 0 HB3 GLU A 39 21.059 3.206 -5.426 1.00 45.23 H new ATOM 0 HG2 GLU A 39 23.194 4.073 -5.406 1.00 13.40 H new ATOM 0 HG3 GLU A 39 22.275 5.485 -4.923 1.00 13.40 H new ATOM 585 N SER A 40 21.057 6.263 -2.678 1.00 40.04 N ATOM 586 CA SER A 40 21.475 7.017 -1.503 1.00 1.25 C ATOM 587 C SER A 40 20.266 7.472 -0.691 1.00 22.25 C ATOM 588 O SER A 40 20.333 7.581 0.533 1.00 22.13 O ATOM 589 CB SER A 40 22.310 8.230 -1.919 1.00 14.14 C ATOM 590 OG SER A 40 22.441 9.150 -0.849 1.00 23.24 O ATOM 0 H SER A 40 21.219 6.741 -3.565 1.00 40.04 H new ATOM 0 HA SER A 40 22.084 6.362 -0.880 1.00 1.25 H new ATOM 0 HB2 SER A 40 23.297 7.902 -2.243 1.00 14.14 H new ATOM 0 HB3 SER A 40 21.842 8.723 -2.771 1.00 14.14 H new ATOM 0 HG SER A 40 22.980 9.915 -1.140 1.00 23.24 H new ATOM 596 N GLU A 41 19.162 7.736 -1.382 1.00 71.51 N ATOM 597 CA GLU A 41 17.938 8.179 -0.726 1.00 12.35 C ATOM 598 C GLU A 41 17.144 6.990 -0.193 1.00 72.35 C ATOM 599 O GLU A 41 16.427 7.102 0.802 1.00 54.44 O ATOM 600 CB GLU A 41 17.076 8.988 -1.697 1.00 50.22 C ATOM 601 CG GLU A 41 17.541 10.424 -1.873 1.00 11.13 C ATOM 602 CD GLU A 41 16.667 11.415 -1.129 1.00 53.34 C ATOM 603 OE1 GLU A 41 16.014 11.010 -0.145 1.00 51.12 O ATOM 604 OE2 GLU A 41 16.636 12.597 -1.532 1.00 40.15 O ATOM 0 H GLU A 41 19.090 7.651 -2.396 1.00 71.51 H new ATOM 0 HA GLU A 41 18.217 8.813 0.115 1.00 12.35 H new ATOM 0 HB2 GLU A 41 17.076 8.493 -2.668 1.00 50.22 H new ATOM 0 HB3 GLU A 41 16.046 8.990 -1.340 1.00 50.22 H new ATOM 0 HG2 GLU A 41 18.568 10.515 -1.521 1.00 11.13 H new ATOM 0 HG3 GLU A 41 17.545 10.673 -2.934 1.00 11.13 H new ATOM 611 N LEU A 42 17.277 5.850 -0.863 1.00 54.34 N ATOM 612 CA LEU A 42 16.572 4.639 -0.459 1.00 72.44 C ATOM 613 C LEU A 42 17.284 3.957 0.705 1.00 74.03 C ATOM 614 O LEU A 42 16.652 3.297 1.529 1.00 21.31 O ATOM 615 CB LEU A 42 16.460 3.672 -1.640 1.00 40.40 C ATOM 616 CG LEU A 42 15.524 4.100 -2.771 1.00 43.12 C ATOM 617 CD1 LEU A 42 15.985 3.513 -4.096 1.00 63.21 C ATOM 618 CD2 LEU A 42 14.094 3.679 -2.468 1.00 32.00 C ATOM 0 H LEU A 42 17.866 5.739 -1.688 1.00 54.34 H new ATOM 0 HA LEU A 42 15.571 4.923 -0.133 1.00 72.44 H new ATOM 0 HB2 LEU A 42 17.456 3.522 -2.057 1.00 40.40 H new ATOM 0 HB3 LEU A 42 16.124 2.706 -1.263 1.00 40.40 H new ATOM 0 HG LEU A 42 15.553 5.187 -2.849 1.00 43.12 H new ATOM 0 HD11 LEU A 42 15.307 3.828 -4.889 1.00 63.21 H new ATOM 0 HD12 LEU A 42 16.992 3.864 -4.319 1.00 63.21 H new ATOM 0 HD13 LEU A 42 15.986 2.425 -4.031 1.00 63.21 H new ATOM 0 HD21 LEU A 42 13.442 3.992 -3.284 1.00 32.00 H new ATOM 0 HD22 LEU A 42 14.048 2.595 -2.362 1.00 32.00 H new ATOM 0 HD23 LEU A 42 13.765 4.148 -1.541 1.00 32.00 H new ATOM 630 N GLN A 43 18.601 4.124 0.766 1.00 52.03 N ATOM 631 CA GLN A 43 19.398 3.526 1.830 1.00 33.21 C ATOM 632 C GLN A 43 19.168 4.248 3.154 1.00 43.14 C ATOM 633 O GLN A 43 19.411 3.693 4.225 1.00 52.21 O ATOM 634 CB GLN A 43 20.883 3.563 1.466 1.00 20.53 C ATOM 635 CG GLN A 43 21.509 4.941 1.603 1.00 10.11 C ATOM 636 CD GLN A 43 22.455 5.038 2.784 1.00 61.24 C ATOM 637 OE1 GLN A 43 22.063 5.448 3.876 1.00 31.14 O ATOM 638 NE2 GLN A 43 23.710 4.659 2.569 1.00 11.55 N ATOM 0 H GLN A 43 19.138 4.668 0.091 1.00 52.03 H new ATOM 0 HA GLN A 43 19.085 2.488 1.944 1.00 33.21 H new ATOM 0 HB2 GLN A 43 21.422 2.863 2.104 1.00 20.53 H new ATOM 0 HB3 GLN A 43 21.006 3.218 0.439 1.00 20.53 H new ATOM 0 HG2 GLN A 43 22.050 5.182 0.688 1.00 10.11 H new ATOM 0 HG3 GLN A 43 20.720 5.685 1.712 1.00 10.11 H new ATOM 0 HE21 GLN A 43 23.991 4.325 1.647 1.00 11.55 H new ATOM 0 HE22 GLN A 43 24.392 4.702 3.326 1.00 11.55 H new ATOM 647 N ALA A 44 18.700 5.489 3.071 1.00 13.03 N ATOM 648 CA ALA A 44 18.436 6.287 4.262 1.00 20.44 C ATOM 649 C ALA A 44 17.178 5.806 4.978 1.00 60.23 C ATOM 650 O ALA A 44 17.017 6.016 6.180 1.00 22.12 O ATOM 651 CB ALA A 44 18.307 7.757 3.895 1.00 40.51 C ATOM 0 H ALA A 44 18.496 5.964 2.191 1.00 13.03 H new ATOM 0 HA ALA A 44 19.278 6.167 4.943 1.00 20.44 H new ATOM 0 HB1 ALA A 44 18.110 8.341 4.794 1.00 40.51 H new ATOM 0 HB2 ALA A 44 19.234 8.100 3.436 1.00 40.51 H new ATOM 0 HB3 ALA A 44 17.484 7.886 3.192 1.00 40.51 H new ATOM 657 N TYR A 45 16.289 5.161 4.231 1.00 32.20 N ATOM 658 CA TYR A 45 15.043 4.653 4.794 1.00 61.04 C ATOM 659 C TYR A 45 15.317 3.593 5.856 1.00 64.33 C ATOM 660 O TYR A 45 15.021 3.786 7.035 1.00 51.20 O ATOM 661 CB TYR A 45 14.161 4.068 3.689 1.00 3.20 C ATOM 662 CG TYR A 45 13.502 5.117 2.821 1.00 24.44 C ATOM 663 CD1 TYR A 45 12.844 6.201 3.387 1.00 15.11 C ATOM 664 CD2 TYR A 45 13.540 5.023 1.436 1.00 74.05 C ATOM 665 CE1 TYR A 45 12.240 7.161 2.598 1.00 34.22 C ATOM 666 CE2 TYR A 45 12.940 5.979 0.639 1.00 73.23 C ATOM 667 CZ TYR A 45 12.291 7.045 1.225 1.00 55.44 C ATOM 668 OH TYR A 45 11.691 8.000 0.435 1.00 3.12 O ATOM 0 H TYR A 45 16.408 4.977 3.235 1.00 32.20 H new ATOM 0 HA TYR A 45 14.520 5.486 5.265 1.00 61.04 H new ATOM 0 HB2 TYR A 45 14.766 3.416 3.060 1.00 3.20 H new ATOM 0 HB3 TYR A 45 13.389 3.447 4.143 1.00 3.20 H new ATOM 0 HD1 TYR A 45 12.804 6.295 4.462 1.00 15.11 H new ATOM 0 HD2 TYR A 45 14.047 4.189 0.974 1.00 74.05 H new ATOM 0 HE1 TYR A 45 11.731 7.997 3.054 1.00 34.22 H new ATOM 0 HE2 TYR A 45 12.979 5.892 -0.437 1.00 73.23 H new ATOM 0 HH TYR A 45 11.819 7.771 -0.509 1.00 3.12 H new ATOM 678 N LYS A 46 15.887 2.471 5.429 1.00 73.41 N ATOM 679 CA LYS A 46 16.204 1.378 6.341 1.00 43.21 C ATOM 680 C LYS A 46 14.995 1.015 7.197 1.00 2.42 C ATOM 681 O LYS A 46 15.021 1.161 8.418 1.00 0.25 O ATOM 682 CB LYS A 46 17.382 1.763 7.239 1.00 31.34 C ATOM 683 CG LYS A 46 17.992 0.585 7.979 1.00 22.04 C ATOM 684 CD LYS A 46 18.321 0.941 9.420 1.00 52.04 C ATOM 685 CE LYS A 46 18.639 -0.299 10.242 1.00 54.44 C ATOM 686 NZ LYS A 46 17.407 -0.932 10.789 1.00 70.34 N ATOM 0 H LYS A 46 16.139 2.295 4.456 1.00 73.41 H new ATOM 0 HA LYS A 46 16.478 0.508 5.745 1.00 43.21 H new ATOM 0 HB2 LYS A 46 18.152 2.238 6.631 1.00 31.34 H new ATOM 0 HB3 LYS A 46 17.048 2.504 7.965 1.00 31.34 H new ATOM 0 HG2 LYS A 46 17.299 -0.256 7.960 1.00 22.04 H new ATOM 0 HG3 LYS A 46 18.899 0.262 7.467 1.00 22.04 H new ATOM 0 HD2 LYS A 46 19.172 1.622 9.442 1.00 52.04 H new ATOM 0 HD3 LYS A 46 17.479 1.469 9.867 1.00 52.04 H new ATOM 0 HE2 LYS A 46 19.173 -1.019 9.622 1.00 54.44 H new ATOM 0 HE3 LYS A 46 19.304 -0.030 11.062 1.00 54.44 H new ATOM 0 HZ1 LYS A 46 17.666 -1.773 11.343 1.00 70.34 H new ATOM 0 HZ2 LYS A 46 16.911 -0.254 11.401 1.00 70.34 H new ATOM 0 HZ3 LYS A 46 16.783 -1.212 10.005 1.00 70.34 H new ATOM 700 N GLY A 47 13.937 0.540 6.548 1.00 54.33 N ATOM 701 CA GLY A 47 12.734 0.163 7.266 1.00 35.31 C ATOM 702 C GLY A 47 12.909 -1.117 8.059 1.00 4.02 C ATOM 703 O GLY A 47 13.281 -2.153 7.507 1.00 52.10 O ATOM 0 H GLY A 47 13.891 0.409 5.537 1.00 54.33 H new ATOM 0 HA2 GLY A 47 12.450 0.970 7.942 1.00 35.31 H new ATOM 0 HA3 GLY A 47 11.915 0.038 6.557 1.00 35.31 H new ATOM 707 N LYS A 48 12.644 -1.047 9.359 1.00 13.32 N ATOM 708 CA LYS A 48 12.775 -2.208 10.231 1.00 13.12 C ATOM 709 C LYS A 48 12.031 -3.408 9.654 1.00 23.32 C ATOM 710 O LYS A 48 12.445 -4.553 9.836 1.00 52.33 O ATOM 711 CB LYS A 48 12.238 -1.886 11.628 1.00 45.42 C ATOM 712 CG LYS A 48 13.258 -2.094 12.734 1.00 43.00 C ATOM 713 CD LYS A 48 12.614 -2.664 13.987 1.00 51.54 C ATOM 714 CE LYS A 48 13.659 -3.120 14.993 1.00 61.12 C ATOM 715 NZ LYS A 48 13.263 -4.387 15.667 1.00 22.35 N ATOM 0 H LYS A 48 12.337 -0.197 9.832 1.00 13.32 H new ATOM 0 HA LYS A 48 13.833 -2.459 10.304 1.00 13.12 H new ATOM 0 HB2 LYS A 48 11.899 -0.850 11.648 1.00 45.42 H new ATOM 0 HB3 LYS A 48 11.367 -2.511 11.826 1.00 45.42 H new ATOM 0 HG2 LYS A 48 14.040 -2.769 12.387 1.00 43.00 H new ATOM 0 HG3 LYS A 48 13.738 -1.145 12.970 1.00 43.00 H new ATOM 0 HD2 LYS A 48 11.973 -1.910 14.443 1.00 51.54 H new ATOM 0 HD3 LYS A 48 11.975 -3.505 13.718 1.00 51.54 H new ATOM 0 HE2 LYS A 48 14.614 -3.261 14.486 1.00 61.12 H new ATOM 0 HE3 LYS A 48 13.807 -2.341 15.741 1.00 61.12 H new ATOM 0 HZ1 LYS A 48 14.001 -4.665 16.345 1.00 22.35 H new ATOM 0 HZ2 LYS A 48 12.365 -4.246 16.172 1.00 22.35 H new ATOM 0 HZ3 LYS A 48 13.146 -5.137 14.956 1.00 22.35 H new ATOM 729 N GLY A 49 10.932 -3.139 8.956 1.00 11.45 N ATOM 730 CA GLY A 49 10.150 -4.207 8.362 1.00 14.15 C ATOM 731 C GLY A 49 9.899 -3.989 6.884 1.00 52.54 C ATOM 732 O GLY A 49 9.029 -4.628 6.294 1.00 62.22 O ATOM 0 H GLY A 49 10.569 -2.200 8.791 1.00 11.45 H new ATOM 0 HA2 GLY A 49 10.669 -5.155 8.503 1.00 14.15 H new ATOM 0 HA3 GLY A 49 9.195 -4.286 8.882 1.00 14.15 H new ATOM 736 N ASN A 50 10.662 -3.081 6.283 1.00 12.23 N ATOM 737 CA ASN A 50 10.516 -2.778 4.864 1.00 3.11 C ATOM 738 C ASN A 50 11.754 -3.213 4.085 1.00 11.13 C ATOM 739 O ASN A 50 12.584 -2.397 3.684 1.00 1.13 O ATOM 740 CB ASN A 50 10.274 -1.281 4.663 1.00 14.42 C ATOM 741 CG ASN A 50 9.284 -0.716 5.664 1.00 54.04 C ATOM 742 OD1 ASN A 50 9.638 -0.421 6.805 1.00 14.40 O ATOM 743 ND2 ASN A 50 8.035 -0.564 5.238 1.00 12.24 N ATOM 0 H ASN A 50 11.387 -2.543 6.757 1.00 12.23 H new ATOM 0 HA ASN A 50 9.657 -3.332 4.486 1.00 3.11 H new ATOM 0 HB2 ASN A 50 11.220 -0.748 4.751 1.00 14.42 H new ATOM 0 HB3 ASN A 50 9.904 -1.108 3.653 1.00 14.42 H new ATOM 0 HD21 ASN A 50 7.324 -0.189 5.866 1.00 12.24 H new ATOM 0 HD22 ASN A 50 7.787 -0.822 4.283 1.00 12.24 H new ATOM 750 N PRO A 51 11.882 -4.530 3.865 1.00 53.22 N ATOM 751 CA PRO A 51 13.014 -5.103 3.131 1.00 31.45 C ATOM 752 C PRO A 51 12.977 -4.759 1.647 1.00 43.15 C ATOM 753 O PRO A 51 13.969 -4.927 0.937 1.00 15.31 O ATOM 754 CB PRO A 51 12.841 -6.611 3.335 1.00 4.31 C ATOM 755 CG PRO A 51 11.384 -6.795 3.586 1.00 44.24 C ATOM 756 CD PRO A 51 10.930 -5.560 4.314 1.00 62.12 C ATOM 0 HA PRO A 51 13.969 -4.717 3.488 1.00 31.45 H new ATOM 0 HB2 PRO A 51 13.165 -7.169 2.456 1.00 4.31 H new ATOM 0 HB3 PRO A 51 13.436 -6.967 4.176 1.00 4.31 H new ATOM 0 HG2 PRO A 51 10.839 -6.919 2.650 1.00 44.24 H new ATOM 0 HG3 PRO A 51 11.201 -7.689 4.182 1.00 44.24 H new ATOM 0 HD2 PRO A 51 9.904 -5.297 4.058 1.00 62.12 H new ATOM 0 HD3 PRO A 51 10.965 -5.695 5.395 1.00 62.12 H new ATOM 764 N GLU A 52 11.828 -4.276 1.184 1.00 63.22 N ATOM 765 CA GLU A 52 11.664 -3.909 -0.218 1.00 1.43 C ATOM 766 C GLU A 52 12.806 -3.009 -0.682 1.00 22.23 C ATOM 767 O GLU A 52 13.271 -3.112 -1.817 1.00 75.23 O ATOM 768 CB GLU A 52 10.324 -3.200 -0.429 1.00 24.14 C ATOM 769 CG GLU A 52 10.133 -1.982 0.460 1.00 64.41 C ATOM 770 CD GLU A 52 8.712 -1.852 0.973 1.00 44.44 C ATOM 771 OE1 GLU A 52 8.381 -2.512 1.979 1.00 31.20 O ATOM 772 OE2 GLU A 52 7.932 -1.088 0.367 1.00 52.32 O ATOM 0 H GLU A 52 10.998 -4.130 1.759 1.00 63.22 H new ATOM 0 HA GLU A 52 11.681 -4.824 -0.811 1.00 1.43 H new ATOM 0 HB2 GLU A 52 10.245 -2.894 -1.472 1.00 24.14 H new ATOM 0 HB3 GLU A 52 9.515 -3.906 -0.242 1.00 24.14 H new ATOM 0 HG2 GLU A 52 10.817 -2.044 1.307 1.00 64.41 H new ATOM 0 HG3 GLU A 52 10.397 -1.084 -0.098 1.00 64.41 H new ATOM 779 N VAL A 53 13.254 -2.126 0.205 1.00 22.34 N ATOM 780 CA VAL A 53 14.342 -1.209 -0.112 1.00 11.43 C ATOM 781 C VAL A 53 15.545 -1.956 -0.675 1.00 23.34 C ATOM 782 O VAL A 53 16.310 -1.412 -1.470 1.00 52.52 O ATOM 783 CB VAL A 53 14.782 -0.410 1.130 1.00 42.05 C ATOM 784 CG1 VAL A 53 15.864 0.594 0.763 1.00 64.15 C ATOM 785 CG2 VAL A 53 13.589 0.288 1.764 1.00 11.12 C ATOM 0 H VAL A 53 12.880 -2.027 1.149 1.00 22.34 H new ATOM 0 HA VAL A 53 13.964 -0.517 -0.865 1.00 11.43 H new ATOM 0 HB VAL A 53 15.197 -1.105 1.860 1.00 42.05 H new ATOM 0 HG11 VAL A 53 16.162 1.149 1.652 1.00 64.15 H new ATOM 0 HG12 VAL A 53 16.728 0.066 0.358 1.00 64.15 H new ATOM 0 HG13 VAL A 53 15.479 1.287 0.015 1.00 64.15 H new ATOM 0 HG21 VAL A 53 13.918 0.847 2.640 1.00 11.12 H new ATOM 0 HG22 VAL A 53 13.142 0.972 1.043 1.00 11.12 H new ATOM 0 HG23 VAL A 53 12.850 -0.455 2.065 1.00 11.12 H new ATOM 795 N GLU A 54 15.706 -3.208 -0.256 1.00 45.20 N ATOM 796 CA GLU A 54 16.818 -4.030 -0.719 1.00 20.21 C ATOM 797 C GLU A 54 16.755 -4.230 -2.231 1.00 14.35 C ATOM 798 O GLU A 54 17.783 -4.278 -2.904 1.00 61.44 O ATOM 799 CB GLU A 54 16.805 -5.388 -0.013 1.00 44.13 C ATOM 800 CG GLU A 54 15.860 -6.395 -0.647 1.00 44.35 C ATOM 801 CD GLU A 54 15.523 -7.544 0.282 1.00 14.24 C ATOM 802 OE1 GLU A 54 16.108 -7.608 1.384 1.00 74.33 O ATOM 803 OE2 GLU A 54 14.672 -8.379 -0.092 1.00 4.32 O ATOM 0 H GLU A 54 15.081 -3.674 0.402 1.00 45.20 H new ATOM 0 HA GLU A 54 17.745 -3.511 -0.477 1.00 20.21 H new ATOM 0 HB2 GLU A 54 17.815 -5.799 -0.015 1.00 44.13 H new ATOM 0 HB3 GLU A 54 16.522 -5.243 1.030 1.00 44.13 H new ATOM 0 HG2 GLU A 54 14.940 -5.889 -0.941 1.00 44.35 H new ATOM 0 HG3 GLU A 54 16.312 -6.789 -1.557 1.00 44.35 H new ATOM 810 N ALA A 55 15.539 -4.345 -2.756 1.00 22.23 N ATOM 811 CA ALA A 55 15.341 -4.538 -4.187 1.00 14.12 C ATOM 812 C ALA A 55 15.744 -3.293 -4.970 1.00 22.14 C ATOM 813 O ALA A 55 16.573 -3.360 -5.879 1.00 33.33 O ATOM 814 CB ALA A 55 13.891 -4.898 -4.475 1.00 15.34 C ATOM 0 H ALA A 55 14.677 -4.308 -2.212 1.00 22.23 H new ATOM 0 HA ALA A 55 15.979 -5.361 -4.509 1.00 14.12 H new ATOM 0 HB1 ALA A 55 13.757 -5.039 -5.548 1.00 15.34 H new ATOM 0 HB2 ALA A 55 13.634 -5.820 -3.953 1.00 15.34 H new ATOM 0 HB3 ALA A 55 13.241 -4.093 -4.131 1.00 15.34 H new ATOM 820 N LEU A 56 15.154 -2.158 -4.612 1.00 72.12 N ATOM 821 CA LEU A 56 15.452 -0.897 -5.282 1.00 55.21 C ATOM 822 C LEU A 56 16.943 -0.585 -5.217 1.00 42.24 C ATOM 823 O LEU A 56 17.537 -0.139 -6.199 1.00 43.12 O ATOM 824 CB LEU A 56 14.653 0.242 -4.646 1.00 54.12 C ATOM 825 CG LEU A 56 13.598 0.901 -5.536 1.00 44.15 C ATOM 826 CD1 LEU A 56 12.724 -0.153 -6.198 1.00 14.34 C ATOM 827 CD2 LEU A 56 12.749 1.872 -4.729 1.00 22.44 C ATOM 0 H LEU A 56 14.467 -2.085 -3.862 1.00 72.12 H new ATOM 0 HA LEU A 56 15.165 -0.994 -6.329 1.00 55.21 H new ATOM 0 HB2 LEU A 56 14.158 -0.142 -3.754 1.00 54.12 H new ATOM 0 HB3 LEU A 56 15.353 1.010 -4.317 1.00 54.12 H new ATOM 0 HG LEU A 56 14.110 1.462 -6.318 1.00 44.15 H new ATOM 0 HD11 LEU A 56 11.979 0.335 -6.827 1.00 14.34 H new ATOM 0 HD12 LEU A 56 13.344 -0.808 -6.810 1.00 14.34 H new ATOM 0 HD13 LEU A 56 12.221 -0.743 -5.431 1.00 14.34 H new ATOM 0 HD21 LEU A 56 12.004 2.331 -5.379 1.00 22.44 H new ATOM 0 HD22 LEU A 56 12.247 1.335 -3.925 1.00 22.44 H new ATOM 0 HD23 LEU A 56 13.387 2.647 -4.304 1.00 22.44 H new ATOM 839 N ARG A 57 17.543 -0.824 -4.056 1.00 33.13 N ATOM 840 CA ARG A 57 18.965 -0.570 -3.863 1.00 43.44 C ATOM 841 C ARG A 57 19.805 -1.466 -4.768 1.00 62.32 C ATOM 842 O ARG A 57 20.771 -1.015 -5.384 1.00 70.24 O ATOM 843 CB ARG A 57 19.353 -0.797 -2.401 1.00 14.40 C ATOM 844 CG ARG A 57 20.712 -0.224 -2.035 1.00 63.21 C ATOM 845 CD ARG A 57 20.598 1.206 -1.532 1.00 55.34 C ATOM 846 NE ARG A 57 21.906 1.825 -1.338 1.00 22.20 N ATOM 847 CZ ARG A 57 22.741 1.487 -0.361 1.00 52.13 C ATOM 848 NH1 ARG A 57 22.405 0.541 0.505 1.00 51.21 N ATOM 849 NH2 ARG A 57 23.915 2.096 -0.250 1.00 34.20 N ATOM 0 H ARG A 57 17.066 -1.194 -3.234 1.00 33.13 H new ATOM 0 HA ARG A 57 19.161 0.470 -4.126 1.00 43.44 H new ATOM 0 HB2 ARG A 57 18.595 -0.349 -1.759 1.00 14.40 H new ATOM 0 HB3 ARG A 57 19.352 -1.868 -2.196 1.00 14.40 H new ATOM 0 HG2 ARG A 57 21.175 -0.845 -1.268 1.00 63.21 H new ATOM 0 HG3 ARG A 57 21.367 -0.253 -2.906 1.00 63.21 H new ATOM 0 HD2 ARG A 57 20.020 1.795 -2.244 1.00 55.34 H new ATOM 0 HD3 ARG A 57 20.049 1.216 -0.590 1.00 55.34 H new ATOM 0 HE ARG A 57 22.195 2.557 -1.988 1.00 22.20 H new ATOM 0 HH11 ARG A 57 21.504 0.071 0.422 1.00 51.21 H new ATOM 0 HH12 ARG A 57 23.048 0.284 1.254 1.00 51.21 H new ATOM 0 HH21 ARG A 57 24.177 2.824 -0.915 1.00 34.20 H new ATOM 0 HH22 ARG A 57 24.555 1.836 0.500 1.00 34.20 H new ATOM 863 N LYS A 58 19.431 -2.739 -4.843 1.00 62.11 N ATOM 864 CA LYS A 58 20.148 -3.700 -5.673 1.00 22.35 C ATOM 865 C LYS A 58 20.141 -3.269 -7.136 1.00 13.14 C ATOM 866 O LYS A 58 21.195 -3.118 -7.753 1.00 34.45 O ATOM 867 CB LYS A 58 19.522 -5.090 -5.536 1.00 52.13 C ATOM 868 CG LYS A 58 20.164 -5.943 -4.457 1.00 23.53 C ATOM 869 CD LYS A 58 19.836 -7.416 -4.641 1.00 44.30 C ATOM 870 CE LYS A 58 21.090 -8.239 -4.894 1.00 42.52 C ATOM 871 NZ LYS A 58 21.584 -8.893 -3.651 1.00 64.23 N ATOM 0 H LYS A 58 18.635 -3.129 -4.339 1.00 62.11 H new ATOM 0 HA LYS A 58 21.182 -3.738 -5.330 1.00 22.35 H new ATOM 0 HB2 LYS A 58 18.460 -4.981 -5.317 1.00 52.13 H new ATOM 0 HB3 LYS A 58 19.599 -5.609 -6.491 1.00 52.13 H new ATOM 0 HG2 LYS A 58 21.245 -5.805 -4.478 1.00 23.53 H new ATOM 0 HG3 LYS A 58 19.819 -5.612 -3.477 1.00 23.53 H new ATOM 0 HD2 LYS A 58 19.327 -7.790 -3.753 1.00 44.30 H new ATOM 0 HD3 LYS A 58 19.147 -7.535 -5.477 1.00 44.30 H new ATOM 0 HE2 LYS A 58 20.880 -9.000 -5.646 1.00 42.52 H new ATOM 0 HE3 LYS A 58 21.870 -7.596 -5.301 1.00 42.52 H new ATOM 0 HZ1 LYS A 58 22.439 -9.444 -3.865 1.00 64.23 H new ATOM 0 HZ2 LYS A 58 21.809 -8.166 -2.942 1.00 64.23 H new ATOM 0 HZ3 LYS A 58 20.849 -9.526 -3.276 1.00 64.23 H new ATOM 885 N GLU A 59 18.946 -3.070 -7.683 1.00 73.43 N ATOM 886 CA GLU A 59 18.803 -2.655 -9.074 1.00 31.52 C ATOM 887 C GLU A 59 19.619 -1.396 -9.352 1.00 72.44 C ATOM 888 O GLU A 59 20.416 -1.355 -10.289 1.00 24.53 O ATOM 889 CB GLU A 59 17.330 -2.406 -9.406 1.00 63.12 C ATOM 890 CG GLU A 59 16.562 -3.670 -9.752 1.00 72.41 C ATOM 891 CD GLU A 59 15.316 -3.390 -10.570 1.00 31.52 C ATOM 892 OE1 GLU A 59 14.903 -2.214 -10.637 1.00 11.43 O ATOM 893 OE2 GLU A 59 14.754 -4.347 -11.142 1.00 72.23 O ATOM 0 H GLU A 59 18.064 -3.189 -7.185 1.00 73.43 H new ATOM 0 HA GLU A 59 19.180 -3.458 -9.707 1.00 31.52 H new ATOM 0 HB2 GLU A 59 16.851 -1.922 -8.555 1.00 63.12 H new ATOM 0 HB3 GLU A 59 17.268 -1.712 -10.244 1.00 63.12 H new ATOM 0 HG2 GLU A 59 17.213 -4.345 -10.308 1.00 72.41 H new ATOM 0 HG3 GLU A 59 16.281 -4.183 -8.832 1.00 72.41 H new ATOM 900 N ALA A 60 19.412 -0.371 -8.533 1.00 20.03 N ATOM 901 CA ALA A 60 20.129 0.889 -8.689 1.00 74.31 C ATOM 902 C ALA A 60 21.632 0.656 -8.793 1.00 20.23 C ATOM 903 O ALA A 60 22.278 1.118 -9.733 1.00 32.31 O ATOM 904 CB ALA A 60 19.816 1.821 -7.529 1.00 13.55 C ATOM 0 H ALA A 60 18.753 -0.388 -7.754 1.00 20.03 H new ATOM 0 HA ALA A 60 19.796 1.356 -9.616 1.00 74.31 H new ATOM 0 HB1 ALA A 60 20.358 2.758 -7.658 1.00 13.55 H new ATOM 0 HB2 ALA A 60 18.745 2.022 -7.503 1.00 13.55 H new ATOM 0 HB3 ALA A 60 20.120 1.352 -6.593 1.00 13.55 H new ATOM 910 N ALA A 61 22.183 -0.063 -7.820 1.00 42.30 N ATOM 911 CA ALA A 61 23.611 -0.358 -7.803 1.00 54.40 C ATOM 912 C ALA A 61 24.054 -1.002 -9.112 1.00 53.02 C ATOM 913 O ALA A 61 25.091 -0.646 -9.670 1.00 63.20 O ATOM 914 CB ALA A 61 23.949 -1.261 -6.627 1.00 32.43 C ATOM 0 H ALA A 61 21.662 -0.452 -7.034 1.00 42.30 H new ATOM 0 HA ALA A 61 24.150 0.583 -7.691 1.00 54.40 H new ATOM 0 HB1 ALA A 61 25.018 -1.473 -6.627 1.00 32.43 H new ATOM 0 HB2 ALA A 61 23.678 -0.763 -5.696 1.00 32.43 H new ATOM 0 HB3 ALA A 61 23.394 -2.195 -6.714 1.00 32.43 H new ATOM 920 N ALA A 62 23.261 -1.952 -9.597 1.00 32.23 N ATOM 921 CA ALA A 62 23.571 -2.645 -10.841 1.00 21.10 C ATOM 922 C ALA A 62 23.683 -1.664 -12.003 1.00 1.43 C ATOM 923 O ALA A 62 24.636 -1.715 -12.781 1.00 72.22 O ATOM 924 CB ALA A 62 22.513 -3.698 -11.137 1.00 1.31 C ATOM 0 H ALA A 62 22.399 -2.259 -9.147 1.00 32.23 H new ATOM 0 HA ALA A 62 24.536 -3.138 -10.722 1.00 21.10 H new ATOM 0 HB1 ALA A 62 22.758 -4.208 -12.069 1.00 1.31 H new ATOM 0 HB2 ALA A 62 22.484 -4.423 -10.324 1.00 1.31 H new ATOM 0 HB3 ALA A 62 21.539 -3.219 -11.231 1.00 1.31 H new ATOM 930 N ILE A 63 22.705 -0.772 -12.114 1.00 13.42 N ATOM 931 CA ILE A 63 22.695 0.221 -13.181 1.00 14.52 C ATOM 932 C ILE A 63 23.938 1.102 -13.124 1.00 3.01 C ATOM 933 O ILE A 63 24.565 1.376 -14.148 1.00 32.33 O ATOM 934 CB ILE A 63 21.443 1.115 -13.106 1.00 53.31 C ATOM 935 CG1 ILE A 63 20.175 0.259 -13.134 1.00 23.44 C ATOM 936 CG2 ILE A 63 21.437 2.116 -14.252 1.00 62.11 C ATOM 937 CD1 ILE A 63 18.924 1.018 -12.753 1.00 10.35 C ATOM 0 H ILE A 63 21.909 -0.716 -11.478 1.00 13.42 H new ATOM 0 HA ILE A 63 22.684 -0.328 -14.123 1.00 14.52 H new ATOM 0 HB ILE A 63 21.466 1.667 -12.166 1.00 53.31 H new ATOM 0 HG12 ILE A 63 20.048 -0.155 -14.134 1.00 23.44 H new ATOM 0 HG13 ILE A 63 20.300 -0.583 -12.454 1.00 23.44 H new ATOM 0 HG21 ILE A 63 20.546 2.740 -14.185 1.00 62.11 H new ATOM 0 HG22 ILE A 63 22.326 2.744 -14.191 1.00 62.11 H new ATOM 0 HG23 ILE A 63 21.435 1.582 -15.202 1.00 62.11 H new ATOM 0 HD11 ILE A 63 18.065 0.348 -12.795 1.00 10.35 H new ATOM 0 HD12 ILE A 63 19.030 1.409 -11.741 1.00 10.35 H new ATOM 0 HD13 ILE A 63 18.774 1.844 -13.448 1.00 10.35 H new ATOM 949 N ARG A 64 24.291 1.541 -11.920 1.00 41.43 N ATOM 950 CA ARG A 64 25.461 2.391 -11.729 1.00 73.44 C ATOM 951 C ARG A 64 26.726 1.691 -12.217 1.00 51.05 C ATOM 952 O ARG A 64 27.535 2.280 -12.934 1.00 65.33 O ATOM 953 CB ARG A 64 25.609 2.766 -10.254 1.00 5.01 C ATOM 954 CG ARG A 64 26.876 3.550 -9.950 1.00 32.44 C ATOM 955 CD ARG A 64 26.823 4.947 -10.546 1.00 41.24 C ATOM 956 NE ARG A 64 28.070 5.679 -10.338 1.00 70.44 N ATOM 957 CZ ARG A 64 28.162 7.003 -10.389 1.00 65.21 C ATOM 958 NH1 ARG A 64 27.087 7.737 -10.639 1.00 30.30 N ATOM 959 NH2 ARG A 64 29.333 7.595 -10.189 1.00 13.41 N ATOM 0 H ARG A 64 23.784 1.322 -11.062 1.00 41.43 H new ATOM 0 HA ARG A 64 25.320 3.299 -12.315 1.00 73.44 H new ATOM 0 HB2 ARG A 64 24.745 3.356 -9.949 1.00 5.01 H new ATOM 0 HB3 ARG A 64 25.602 1.856 -9.654 1.00 5.01 H new ATOM 0 HG2 ARG A 64 27.012 3.619 -8.871 1.00 32.44 H new ATOM 0 HG3 ARG A 64 27.739 3.016 -10.347 1.00 32.44 H new ATOM 0 HD2 ARG A 64 26.617 4.878 -11.614 1.00 41.24 H new ATOM 0 HD3 ARG A 64 25.998 5.501 -10.098 1.00 41.24 H new ATOM 0 HE ARG A 64 28.916 5.144 -10.143 1.00 70.44 H new ATOM 0 HH11 ARG A 64 26.186 7.285 -10.793 1.00 30.30 H new ATOM 0 HH12 ARG A 64 27.161 8.754 -10.677 1.00 30.30 H new ATOM 0 HH21 ARG A 64 30.162 7.033 -9.996 1.00 13.41 H new ATOM 0 HH22 ARG A 64 29.404 8.612 -10.228 1.00 13.41 H new ATOM 973 N ASP A 65 26.889 0.433 -11.824 1.00 22.12 N ATOM 974 CA ASP A 65 28.055 -0.347 -12.221 1.00 63.43 C ATOM 975 C ASP A 65 28.148 -0.450 -13.740 1.00 63.25 C ATOM 976 O ASP A 65 29.222 -0.285 -14.318 1.00 62.31 O ATOM 977 CB ASP A 65 27.993 -1.746 -11.606 1.00 24.31 C ATOM 978 CG ASP A 65 28.105 -1.719 -10.094 1.00 70.22 C ATOM 979 OD1 ASP A 65 28.900 -0.910 -9.572 1.00 2.21 O ATOM 980 OD2 ASP A 65 27.396 -2.507 -9.433 1.00 44.33 O ATOM 0 H ASP A 65 26.228 -0.069 -11.231 1.00 22.12 H new ATOM 0 HA ASP A 65 28.945 0.164 -11.854 1.00 63.43 H new ATOM 0 HB2 ASP A 65 27.055 -2.223 -11.890 1.00 24.31 H new ATOM 0 HB3 ASP A 65 28.798 -2.356 -12.016 1.00 24.31 H new ATOM 985 N GLU A 66 27.016 -0.725 -14.380 1.00 51.45 N ATOM 986 CA GLU A 66 26.971 -0.851 -15.832 1.00 63.25 C ATOM 987 C GLU A 66 27.435 0.437 -16.505 1.00 41.45 C ATOM 988 O GLU A 66 28.277 0.413 -17.404 1.00 73.44 O ATOM 989 CB GLU A 66 25.554 -1.198 -16.293 1.00 60.50 C ATOM 990 CG GLU A 66 24.987 -2.443 -15.631 1.00 53.10 C ATOM 991 CD GLU A 66 23.503 -2.324 -15.340 1.00 22.10 C ATOM 992 OE1 GLU A 66 22.818 -1.560 -16.051 1.00 10.54 O ATOM 993 OE2 GLU A 66 23.028 -2.997 -14.401 1.00 11.50 O ATOM 0 H GLU A 66 26.118 -0.865 -13.916 1.00 51.45 H new ATOM 0 HA GLU A 66 27.647 -1.656 -16.122 1.00 63.25 H new ATOM 0 HB2 GLU A 66 24.896 -0.354 -16.085 1.00 60.50 H new ATOM 0 HB3 GLU A 66 25.557 -1.341 -17.374 1.00 60.50 H new ATOM 0 HG2 GLU A 66 25.159 -3.304 -16.277 1.00 53.10 H new ATOM 0 HG3 GLU A 66 25.522 -2.631 -14.700 1.00 53.10 H new ATOM 1000 N CYS A 67 26.880 1.561 -16.065 1.00 22.25 N ATOM 1001 CA CYS A 67 27.235 2.860 -16.624 1.00 43.15 C ATOM 1002 C CYS A 67 28.731 3.123 -16.483 1.00 30.22 C ATOM 1003 O CYS A 67 29.371 3.632 -17.403 1.00 33.23 O ATOM 1004 CB CYS A 67 26.442 3.970 -15.933 1.00 44.45 C ATOM 1005 SG CYS A 67 24.670 3.941 -16.287 1.00 55.44 S ATOM 0 H CYS A 67 26.182 1.599 -15.322 1.00 22.25 H new ATOM 0 HA CYS A 67 26.985 2.852 -17.685 1.00 43.15 H new ATOM 0 HB2 CYS A 67 26.588 3.889 -14.856 1.00 44.45 H new ATOM 0 HB3 CYS A 67 26.847 4.935 -16.238 1.00 44.45 H new ATOM 0 HG CYS A 67 24.341 2.776 -16.760 1.00 55.44 H new ATOM 1011 N GLN A 68 29.281 2.774 -15.324 1.00 73.52 N ATOM 1012 CA GLN A 68 30.701 2.974 -15.062 1.00 11.22 C ATOM 1013 C GLN A 68 31.546 1.977 -15.848 1.00 31.03 C ATOM 1014 O GLN A 68 32.729 2.209 -16.094 1.00 10.51 O ATOM 1015 CB GLN A 68 30.989 2.837 -13.566 1.00 0.52 C ATOM 1016 CG GLN A 68 30.347 3.926 -12.721 1.00 22.03 C ATOM 1017 CD GLN A 68 31.075 4.152 -11.410 1.00 52.41 C ATOM 1018 OE1 GLN A 68 31.138 3.264 -10.560 1.00 73.20 O ATOM 1019 NE2 GLN A 68 31.630 5.347 -11.239 1.00 72.45 N ATOM 0 H GLN A 68 28.765 2.352 -14.552 1.00 73.52 H new ATOM 0 HA GLN A 68 30.966 3.981 -15.385 1.00 11.22 H new ATOM 0 HB2 GLN A 68 30.633 1.865 -13.223 1.00 0.52 H new ATOM 0 HB3 GLN A 68 32.067 2.855 -13.409 1.00 0.52 H new ATOM 0 HG2 GLN A 68 30.329 4.857 -13.287 1.00 22.03 H new ATOM 0 HG3 GLN A 68 29.311 3.658 -12.515 1.00 22.03 H new ATOM 0 HE21 GLN A 68 31.554 6.054 -11.970 1.00 72.45 H new ATOM 0 HE22 GLN A 68 32.133 5.557 -10.377 1.00 72.45 H new ATOM 1028 N ALA A 69 30.930 0.866 -16.238 1.00 63.23 N ATOM 1029 CA ALA A 69 31.626 -0.166 -16.998 1.00 34.14 C ATOM 1030 C ALA A 69 31.514 0.087 -18.497 1.00 62.12 C ATOM 1031 O ALA A 69 32.088 -0.645 -19.304 1.00 43.53 O ATOM 1032 CB ALA A 69 31.073 -1.540 -16.650 1.00 35.23 C ATOM 0 H ALA A 69 29.951 0.657 -16.041 1.00 63.23 H new ATOM 0 HA ALA A 69 32.682 -0.132 -16.728 1.00 34.14 H new ATOM 0 HB1 ALA A 69 31.601 -2.301 -17.224 1.00 35.23 H new ATOM 0 HB2 ALA A 69 31.210 -1.728 -15.585 1.00 35.23 H new ATOM 0 HB3 ALA A 69 30.011 -1.576 -16.891 1.00 35.23 H new ATOM 1038 N TYR A 70 30.772 1.126 -18.864 1.00 20.25 N ATOM 1039 CA TYR A 70 30.583 1.473 -20.267 1.00 11.11 C ATOM 1040 C TYR A 70 31.476 2.645 -20.663 1.00 53.12 C ATOM 1041 O TYR A 70 32.019 2.680 -21.767 1.00 41.43 O ATOM 1042 CB TYR A 70 29.118 1.820 -20.535 1.00 54.32 C ATOM 1043 CG TYR A 70 28.167 0.672 -20.281 1.00 40.22 C ATOM 1044 CD1 TYR A 70 28.567 -0.644 -20.479 1.00 44.42 C ATOM 1045 CD2 TYR A 70 26.869 0.903 -19.844 1.00 75.02 C ATOM 1046 CE1 TYR A 70 27.702 -1.696 -20.249 1.00 43.21 C ATOM 1047 CE2 TYR A 70 25.997 -0.143 -19.610 1.00 62.02 C ATOM 1048 CZ TYR A 70 26.419 -1.440 -19.814 1.00 75.52 C ATOM 1049 OH TYR A 70 25.553 -2.485 -19.584 1.00 20.14 O ATOM 0 H TYR A 70 30.292 1.743 -18.209 1.00 20.25 H new ATOM 0 HA TYR A 70 30.861 0.608 -20.870 1.00 11.11 H new ATOM 0 HB2 TYR A 70 28.832 2.663 -19.906 1.00 54.32 H new ATOM 0 HB3 TYR A 70 29.014 2.145 -21.570 1.00 54.32 H new ATOM 0 HD1 TYR A 70 29.572 -0.848 -20.819 1.00 44.42 H new ATOM 0 HD2 TYR A 70 26.536 1.918 -19.684 1.00 75.02 H new ATOM 0 HE1 TYR A 70 28.029 -2.713 -20.409 1.00 43.21 H new ATOM 0 HE2 TYR A 70 24.991 0.054 -19.269 1.00 62.02 H new ATOM 0 HH TYR A 70 24.690 -2.134 -19.281 1.00 20.14 H new ATOM 1059 N ARG A 71 31.622 3.603 -19.753 1.00 64.43 N ATOM 1060 CA ARG A 71 32.448 4.777 -20.007 1.00 4.05 C ATOM 1061 C ARG A 71 33.625 4.833 -19.037 1.00 45.12 C ATOM 1062 O ARG A 71 34.712 5.295 -19.389 1.00 15.02 O ATOM 1063 CB ARG A 71 31.611 6.052 -19.883 1.00 64.45 C ATOM 1064 CG ARG A 71 31.026 6.264 -18.497 1.00 55.02 C ATOM 1065 CD ARG A 71 29.536 6.565 -18.562 1.00 22.41 C ATOM 1066 NE ARG A 71 29.119 7.490 -17.512 1.00 55.12 N ATOM 1067 CZ ARG A 71 29.470 8.771 -17.479 1.00 72.22 C ATOM 1068 NH1 ARG A 71 30.240 9.275 -18.433 1.00 4.11 N ATOM 1069 NH2 ARG A 71 29.049 9.550 -16.491 1.00 25.02 N ATOM 0 H ARG A 71 31.179 3.589 -18.834 1.00 64.43 H new ATOM 0 HA ARG A 71 32.838 4.703 -21.022 1.00 4.05 H new ATOM 0 HB2 ARG A 71 32.231 6.910 -20.141 1.00 64.45 H new ATOM 0 HB3 ARG A 71 30.799 6.015 -20.609 1.00 64.45 H new ATOM 0 HG2 ARG A 71 31.193 5.374 -17.890 1.00 55.02 H new ATOM 0 HG3 ARG A 71 31.544 7.087 -18.004 1.00 55.02 H new ATOM 0 HD2 ARG A 71 29.294 6.989 -19.536 1.00 22.41 H new ATOM 0 HD3 ARG A 71 28.974 5.636 -18.471 1.00 22.41 H new ATOM 0 HE ARG A 71 28.526 7.133 -16.763 1.00 55.12 H new ATOM 0 HH11 ARG A 71 30.564 8.679 -19.195 1.00 4.11 H new ATOM 0 HH12 ARG A 71 30.508 10.259 -18.405 1.00 4.11 H new ATOM 0 HH21 ARG A 71 28.455 9.166 -15.756 1.00 25.02 H new ATOM 0 HH22 ARG A 71 29.319 10.533 -16.466 1.00 25.02 H new ATOM 1083 N HIS A 72 33.402 4.360 -17.815 1.00 41.21 N ATOM 1084 CA HIS A 72 34.444 4.356 -16.795 1.00 3.45 C ATOM 1085 C HIS A 72 35.180 3.020 -16.774 1.00 41.05 C ATOM 1086 O HIS A 72 35.623 2.561 -15.723 1.00 25.41 O ATOM 1087 CB HIS A 72 33.841 4.640 -15.419 1.00 1.54 C ATOM 1088 CG HIS A 72 34.547 5.727 -14.668 1.00 2.21 C ATOM 1089 ND1 HIS A 72 34.768 5.681 -13.308 1.00 4.04 N ATOM 1090 CD2 HIS A 72 35.084 6.894 -15.096 1.00 24.35 C ATOM 1091 CE1 HIS A 72 35.410 6.773 -12.931 1.00 34.23 C ATOM 1092 NE2 HIS A 72 35.614 7.525 -13.997 1.00 51.10 N ATOM 0 H HIS A 72 32.509 3.975 -17.507 1.00 41.21 H new ATOM 0 HA HIS A 72 35.160 5.141 -17.040 1.00 3.45 H new ATOM 0 HB2 HIS A 72 32.793 4.915 -15.540 1.00 1.54 H new ATOM 0 HB3 HIS A 72 33.864 3.726 -14.826 1.00 1.54 H new ATOM 0 HD2 HIS A 72 35.094 7.260 -16.112 1.00 24.35 H new ATOM 0 HE1 HIS A 72 35.716 7.010 -11.923 1.00 34.23 H new ATOM 0 HE2 HIS A 72 36.088 8.428 -14.003 1.00 51.10 H new ATOM 1100 N ASN A 73 35.305 2.401 -17.944 1.00 41.20 N ATOM 1101 CA ASN A 73 35.986 1.117 -18.060 1.00 60.31 C ATOM 1102 C ASN A 73 36.258 0.776 -19.522 1.00 63.50 C ATOM 1103 O ASN A 73 37.411 0.701 -19.948 1.00 33.45 O ATOM 1104 CB ASN A 73 35.148 0.011 -17.414 1.00 51.44 C ATOM 1105 CG ASN A 73 35.964 -1.231 -17.112 1.00 14.43 C ATOM 1106 OD1 ASN A 73 35.883 -2.229 -17.827 1.00 61.31 O ATOM 1107 ND2 ASN A 73 36.755 -1.174 -16.046 1.00 55.35 N ATOM 0 H ASN A 73 34.944 2.768 -18.824 1.00 41.20 H new ATOM 0 HA ASN A 73 36.940 1.192 -17.539 1.00 60.31 H new ATOM 0 HB2 ASN A 73 34.707 0.386 -16.491 1.00 51.44 H new ATOM 0 HB3 ASN A 73 34.324 -0.251 -18.078 1.00 51.44 H new ATOM 0 HD21 ASN A 73 37.327 -1.979 -15.792 1.00 55.35 H new ATOM 0 HD22 ASN A 73 36.790 -0.325 -15.482 1.00 55.35 H new TER 1114 ASN A 73