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 112:sc= 1.05 USER MOD Set 1.2: A 67 CYS SG : rot 75:sc= 1.14 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.053) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -122:sc= 0.0939 (180deg=-0.697) USER MOD Single : A 9 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 62:sc= 0.301 USER MOD Single : A 28 CYS SG : rot 48:sc= 0.957 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -44:sc= 0.238 USER MOD Single : A 43 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.89!) 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= -0.545 K(o=-0.55,f=-9.2!) 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=-0.00208 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.569 0.389 -0.137 1.00 24.33 N ATOM 2 CA MET A 1 2.147 0.774 -1.419 1.00 4.11 C ATOM 3 C MET A 1 3.157 1.904 -1.243 1.00 12.14 C ATOM 4 O MET A 1 4.353 1.720 -1.462 1.00 3.22 O ATOM 5 CB MET A 1 1.046 1.205 -2.390 1.00 25.11 C ATOM 6 CG MET A 1 1.566 1.590 -3.766 1.00 30.24 C ATOM 7 SD MET A 1 0.739 3.043 -4.439 1.00 14.51 S ATOM 8 CE MET A 1 -0.951 2.456 -4.537 1.00 2.40 C ATOM 0 H1 MET A 1 0.885 -0.381 -0.282 1.00 24.33 H new ATOM 0 H2 MET A 1 2.324 0.066 0.501 1.00 24.33 H new ATOM 0 H3 MET A 1 1.085 1.207 0.285 1.00 24.33 H new ATOM 0 HA MET A 1 2.666 -0.092 -1.830 1.00 4.11 H new ATOM 0 HB2 MET A 1 0.328 0.392 -2.496 1.00 25.11 H new ATOM 0 HB3 MET A 1 0.508 2.052 -1.964 1.00 25.11 H new ATOM 0 HG2 MET A 1 2.637 1.782 -3.705 1.00 30.24 H new ATOM 0 HG3 MET A 1 1.431 0.751 -4.449 1.00 30.24 H new ATOM 0 HE1 MET A 1 -1.561 3.189 -5.066 1.00 2.40 H new ATOM 0 HE2 MET A 1 -0.976 1.508 -5.074 1.00 2.40 H new ATOM 0 HE3 MET A 1 -1.346 2.314 -3.531 1.00 2.40 H new ATOM 18 N GLY A 2 2.666 3.074 -0.845 1.00 53.13 N ATOM 19 CA GLY A 2 3.539 4.216 -0.647 1.00 53.30 C ATOM 20 C GLY A 2 4.056 4.785 -1.954 1.00 34.33 C ATOM 21 O GLY A 2 3.291 4.984 -2.897 1.00 52.24 O ATOM 0 H GLY A 2 1.679 3.251 -0.656 1.00 53.13 H new ATOM 0 HA2 GLY A 2 2.999 4.992 -0.105 1.00 53.30 H new ATOM 0 HA3 GLY A 2 4.383 3.920 -0.024 1.00 53.30 H new ATOM 25 N SER A 3 5.357 5.048 -2.009 1.00 63.21 N ATOM 26 CA SER A 3 5.975 5.602 -3.208 1.00 52.21 C ATOM 27 C SER A 3 6.932 4.597 -3.841 1.00 33.50 C ATOM 28 O SER A 3 7.911 4.975 -4.483 1.00 25.00 O ATOM 29 CB SER A 3 6.723 6.893 -2.872 1.00 2.44 C ATOM 30 OG SER A 3 6.490 7.889 -3.853 1.00 64.52 O ATOM 0 H SER A 3 6.004 4.886 -1.237 1.00 63.21 H new ATOM 0 HA SER A 3 5.184 5.824 -3.924 1.00 52.21 H new ATOM 0 HB2 SER A 3 6.404 7.258 -1.896 1.00 2.44 H new ATOM 0 HB3 SER A 3 7.792 6.690 -2.802 1.00 2.44 H new ATOM 0 HG SER A 3 6.978 8.704 -3.614 1.00 64.52 H new ATOM 36 N TRP A 4 6.640 3.314 -3.655 1.00 1.43 N ATOM 37 CA TRP A 4 7.474 2.253 -4.207 1.00 22.01 C ATOM 38 C TRP A 4 7.246 2.106 -5.707 1.00 75.22 C ATOM 39 O TRP A 4 8.196 2.003 -6.482 1.00 1.11 O ATOM 40 CB TRP A 4 7.182 0.928 -3.502 1.00 22.44 C ATOM 41 CG TRP A 4 7.857 -0.247 -4.142 1.00 23.42 C ATOM 42 CD1 TRP A 4 7.442 -0.927 -5.251 1.00 33.31 C ATOM 43 CD2 TRP A 4 9.066 -0.881 -3.710 1.00 23.22 C ATOM 44 NE1 TRP A 4 8.320 -1.946 -5.534 1.00 54.35 N ATOM 45 CE2 TRP A 4 9.325 -1.938 -4.604 1.00 62.15 C ATOM 46 CE3 TRP A 4 9.956 -0.658 -2.656 1.00 3.30 C ATOM 47 CZ2 TRP A 4 10.436 -2.768 -4.474 1.00 54.13 C ATOM 48 CZ3 TRP A 4 11.058 -1.482 -2.528 1.00 73.30 C ATOM 49 CH2 TRP A 4 11.290 -2.526 -3.433 1.00 63.33 C ATOM 0 H TRP A 4 5.832 2.984 -3.126 1.00 1.43 H new ATOM 0 HA TRP A 4 8.517 2.522 -4.042 1.00 22.01 H new ATOM 0 HB2 TRP A 4 7.502 1.000 -2.462 1.00 22.44 H new ATOM 0 HB3 TRP A 4 6.105 0.759 -3.493 1.00 22.44 H new ATOM 0 HD1 TRP A 4 6.554 -0.698 -5.822 1.00 33.31 H new ATOM 0 HE1 TRP A 4 8.236 -2.602 -6.311 1.00 54.35 H new ATOM 0 HE3 TRP A 4 9.786 0.144 -1.954 1.00 3.30 H new ATOM 0 HZ2 TRP A 4 10.617 -3.574 -5.170 1.00 54.13 H new ATOM 0 HZ3 TRP A 4 11.752 -1.318 -1.717 1.00 73.30 H new ATOM 0 HH2 TRP A 4 12.161 -3.152 -3.306 1.00 63.33 H new ATOM 60 N ALA A 5 5.979 2.097 -6.110 1.00 62.43 N ATOM 61 CA ALA A 5 5.627 1.964 -7.519 1.00 12.35 C ATOM 62 C ALA A 5 6.380 2.980 -8.371 1.00 11.23 C ATOM 63 O ALA A 5 6.986 2.627 -9.382 1.00 0.34 O ATOM 64 CB ALA A 5 4.125 2.126 -7.704 1.00 44.43 C ATOM 0 H ALA A 5 5.180 2.180 -5.481 1.00 62.43 H new ATOM 0 HA ALA A 5 5.918 0.967 -7.849 1.00 12.35 H new ATOM 0 HB1 ALA A 5 3.875 2.025 -8.760 1.00 44.43 H new ATOM 0 HB2 ALA A 5 3.603 1.358 -7.132 1.00 44.43 H new ATOM 0 HB3 ALA A 5 3.819 3.111 -7.352 1.00 44.43 H new ATOM 70 N GLU A 6 6.336 4.242 -7.956 1.00 0.44 N ATOM 71 CA GLU A 6 7.014 5.309 -8.683 1.00 53.12 C ATOM 72 C GLU A 6 8.500 5.002 -8.839 1.00 63.13 C ATOM 73 O GLU A 6 9.054 5.097 -9.935 1.00 14.10 O ATOM 74 CB GLU A 6 6.831 6.645 -7.961 1.00 11.42 C ATOM 75 CG GLU A 6 5.753 7.525 -8.571 1.00 75.22 C ATOM 76 CD GLU A 6 5.489 8.775 -7.755 1.00 54.54 C ATOM 77 OE1 GLU A 6 6.150 8.955 -6.712 1.00 24.52 O ATOM 78 OE2 GLU A 6 4.620 9.576 -8.162 1.00 32.55 O ATOM 0 H GLU A 6 5.838 4.550 -7.121 1.00 0.44 H new ATOM 0 HA GLU A 6 6.569 5.377 -9.676 1.00 53.12 H new ATOM 0 HB2 GLU A 6 6.583 6.453 -6.917 1.00 11.42 H new ATOM 0 HB3 GLU A 6 7.777 7.186 -7.970 1.00 11.42 H new ATOM 0 HG2 GLU A 6 6.050 7.811 -9.580 1.00 75.22 H new ATOM 0 HG3 GLU A 6 4.830 6.953 -8.661 1.00 75.22 H new ATOM 85 N PHE A 7 9.141 4.634 -7.735 1.00 64.40 N ATOM 86 CA PHE A 7 10.564 4.314 -7.748 1.00 21.13 C ATOM 87 C PHE A 7 10.858 3.180 -8.726 1.00 1.04 C ATOM 88 O PHE A 7 11.831 3.231 -9.479 1.00 75.41 O ATOM 89 CB PHE A 7 11.034 3.926 -6.344 1.00 11.40 C ATOM 90 CG PHE A 7 11.838 4.997 -5.664 1.00 43.22 C ATOM 91 CD1 PHE A 7 11.210 6.051 -5.021 1.00 11.13 C ATOM 92 CD2 PHE A 7 13.223 4.950 -5.669 1.00 41.22 C ATOM 93 CE1 PHE A 7 11.947 7.038 -4.394 1.00 2.02 C ATOM 94 CE2 PHE A 7 13.966 5.934 -5.044 1.00 34.13 C ATOM 95 CZ PHE A 7 13.327 6.980 -4.406 1.00 71.33 C ATOM 0 H PHE A 7 8.698 4.550 -6.820 1.00 64.40 H new ATOM 0 HA PHE A 7 11.107 5.201 -8.074 1.00 21.13 H new ATOM 0 HB2 PHE A 7 10.164 3.691 -5.730 1.00 11.40 H new ATOM 0 HB3 PHE A 7 11.634 3.018 -6.408 1.00 11.40 H new ATOM 0 HD1 PHE A 7 10.131 6.102 -5.009 1.00 11.13 H new ATOM 0 HD2 PHE A 7 13.728 4.135 -6.167 1.00 41.22 H new ATOM 0 HE1 PHE A 7 11.444 7.854 -3.895 1.00 2.02 H new ATOM 0 HE2 PHE A 7 15.045 5.885 -5.054 1.00 34.13 H new ATOM 0 HZ PHE A 7 13.905 7.750 -3.918 1.00 71.33 H new ATOM 105 N LYS A 8 10.011 2.157 -8.708 1.00 33.34 N ATOM 106 CA LYS A 8 10.177 1.009 -9.592 1.00 11.50 C ATOM 107 C LYS A 8 10.090 1.433 -11.055 1.00 31.12 C ATOM 108 O LYS A 8 10.875 0.981 -11.888 1.00 54.01 O ATOM 109 CB LYS A 8 9.114 -0.050 -9.292 1.00 54.45 C ATOM 110 CG LYS A 8 9.504 -1.447 -9.741 1.00 71.32 C ATOM 111 CD LYS A 8 9.786 -2.355 -8.556 1.00 33.22 C ATOM 112 CE LYS A 8 10.946 -3.297 -8.838 1.00 41.05 C ATOM 113 NZ LYS A 8 11.769 -3.544 -7.622 1.00 73.40 N ATOM 0 H LYS A 8 9.201 2.099 -8.090 1.00 33.34 H new ATOM 0 HA LYS A 8 11.164 0.583 -9.413 1.00 11.50 H new ATOM 0 HB2 LYS A 8 8.919 -0.063 -8.220 1.00 54.45 H new ATOM 0 HB3 LYS A 8 8.182 0.233 -9.782 1.00 54.45 H new ATOM 0 HG2 LYS A 8 8.703 -1.873 -10.344 1.00 71.32 H new ATOM 0 HG3 LYS A 8 10.387 -1.392 -10.377 1.00 71.32 H new ATOM 0 HD2 LYS A 8 10.013 -1.750 -7.679 1.00 33.22 H new ATOM 0 HD3 LYS A 8 8.894 -2.935 -8.321 1.00 33.22 H new ATOM 0 HE2 LYS A 8 10.561 -4.245 -9.214 1.00 41.05 H new ATOM 0 HE3 LYS A 8 11.574 -2.874 -9.622 1.00 41.05 H new ATOM 0 HZ1 LYS A 8 12.753 -3.264 -7.806 1.00 73.40 H new ATOM 0 HZ2 LYS A 8 11.393 -2.986 -6.829 1.00 73.40 H new ATOM 0 HZ3 LYS A 8 11.736 -4.555 -7.380 1.00 73.40 H new ATOM 127 N GLN A 9 9.132 2.303 -11.358 1.00 43.22 N ATOM 128 CA GLN A 9 8.945 2.788 -12.721 1.00 34.53 C ATOM 129 C GLN A 9 10.189 3.518 -13.215 1.00 71.21 C ATOM 130 O GLN A 9 10.766 3.157 -14.241 1.00 72.30 O ATOM 131 CB GLN A 9 7.732 3.717 -12.792 1.00 34.34 C ATOM 132 CG GLN A 9 6.705 3.298 -13.832 1.00 11.43 C ATOM 133 CD GLN A 9 5.646 4.358 -14.065 1.00 71.24 C ATOM 134 OE1 GLN A 9 5.893 5.550 -13.881 1.00 34.12 O ATOM 135 NE2 GLN A 9 4.458 3.928 -14.474 1.00 70.31 N ATOM 0 H GLN A 9 8.474 2.686 -10.679 1.00 43.22 H new ATOM 0 HA GLN A 9 8.772 1.926 -13.366 1.00 34.53 H new ATOM 0 HB2 GLN A 9 7.253 3.751 -11.813 1.00 34.34 H new ATOM 0 HB3 GLN A 9 8.072 4.728 -13.016 1.00 34.34 H new ATOM 0 HG2 GLN A 9 7.212 3.084 -14.773 1.00 11.43 H new ATOM 0 HG3 GLN A 9 6.224 2.374 -13.511 1.00 11.43 H new ATOM 0 HE21 GLN A 9 4.297 2.931 -14.614 1.00 70.31 H new ATOM 0 HE22 GLN A 9 3.706 4.595 -14.648 1.00 70.31 H new ATOM 144 N ARG A 10 10.597 4.546 -12.479 1.00 51.51 N ATOM 145 CA ARG A 10 11.772 5.328 -12.844 1.00 10.51 C ATOM 146 C ARG A 10 12.985 4.425 -13.047 1.00 11.04 C ATOM 147 O ARG A 10 13.723 4.568 -14.022 1.00 71.03 O ATOM 148 CB ARG A 10 12.073 6.370 -11.765 1.00 21.14 C ATOM 149 CG ARG A 10 11.158 7.582 -11.816 1.00 12.31 C ATOM 150 CD ARG A 10 10.254 7.650 -10.595 1.00 2.24 C ATOM 151 NE ARG A 10 10.024 9.025 -10.160 1.00 1.32 N ATOM 152 CZ ARG A 10 9.171 9.851 -10.755 1.00 14.21 C ATOM 153 NH1 ARG A 10 8.470 9.443 -11.804 1.00 31.12 N ATOM 154 NH2 ARG A 10 9.016 11.088 -10.300 1.00 43.34 N ATOM 0 H ARG A 10 10.131 4.857 -11.626 1.00 51.51 H new ATOM 0 HA ARG A 10 11.560 5.839 -13.783 1.00 10.51 H new ATOM 0 HB2 ARG A 10 11.986 5.901 -10.785 1.00 21.14 H new ATOM 0 HB3 ARG A 10 13.106 6.701 -11.870 1.00 21.14 H new ATOM 0 HG2 ARG A 10 11.758 8.490 -11.877 1.00 12.31 H new ATOM 0 HG3 ARG A 10 10.549 7.542 -12.719 1.00 12.31 H new ATOM 0 HD2 ARG A 10 9.299 7.178 -10.825 1.00 2.24 H new ATOM 0 HD3 ARG A 10 10.703 7.082 -9.780 1.00 2.24 H new ATOM 0 HE ARG A 10 10.547 9.370 -9.355 1.00 1.32 H new ATOM 0 HH11 ARG A 10 8.585 8.493 -12.156 1.00 31.12 H new ATOM 0 HH12 ARG A 10 7.816 10.080 -12.259 1.00 31.12 H new ATOM 0 HH21 ARG A 10 9.552 11.405 -9.492 1.00 43.34 H new ATOM 0 HH22 ARG A 10 8.361 11.721 -10.758 1.00 43.34 H new ATOM 168 N LEU A 11 13.185 3.496 -12.119 1.00 22.32 N ATOM 169 CA LEU A 11 14.309 2.569 -12.195 1.00 31.53 C ATOM 170 C LEU A 11 14.236 1.727 -13.465 1.00 33.13 C ATOM 171 O LEU A 11 15.249 1.483 -14.119 1.00 22.23 O ATOM 172 CB LEU A 11 14.328 1.658 -10.966 1.00 31.40 C ATOM 173 CG LEU A 11 15.668 1.539 -10.239 1.00 12.43 C ATOM 174 CD1 LEU A 11 16.170 2.912 -9.818 1.00 71.13 C ATOM 175 CD2 LEU A 11 15.540 0.623 -9.030 1.00 53.25 C ATOM 0 H LEU A 11 12.584 3.364 -11.305 1.00 22.32 H new ATOM 0 HA LEU A 11 15.229 3.153 -12.221 1.00 31.53 H new ATOM 0 HB2 LEU A 11 13.584 2.022 -10.257 1.00 31.40 H new ATOM 0 HB3 LEU A 11 14.014 0.660 -11.273 1.00 31.40 H new ATOM 0 HG LEU A 11 16.394 1.103 -10.925 1.00 12.43 H new ATOM 0 HD11 LEU A 11 17.125 2.808 -9.302 1.00 71.13 H new ATOM 0 HD12 LEU A 11 16.301 3.538 -10.701 1.00 71.13 H new ATOM 0 HD13 LEU A 11 15.445 3.375 -9.149 1.00 71.13 H new ATOM 0 HD21 LEU A 11 16.503 0.550 -8.525 1.00 53.25 H new ATOM 0 HD22 LEU A 11 14.799 1.030 -8.342 1.00 53.25 H new ATOM 0 HD23 LEU A 11 15.226 -0.368 -9.356 1.00 53.25 H new ATOM 187 N ALA A 12 13.029 1.288 -13.809 1.00 24.12 N ATOM 188 CA ALA A 12 12.823 0.478 -15.003 1.00 22.43 C ATOM 189 C ALA A 12 13.232 1.238 -16.260 1.00 12.13 C ATOM 190 O ALA A 12 13.928 0.703 -17.122 1.00 33.32 O ATOM 191 CB ALA A 12 11.369 0.039 -15.098 1.00 65.21 C ATOM 0 H ALA A 12 12.180 1.480 -13.278 1.00 24.12 H new ATOM 0 HA ALA A 12 13.454 -0.407 -14.925 1.00 22.43 H new ATOM 0 HB1 ALA A 12 11.229 -0.565 -15.994 1.00 65.21 H new ATOM 0 HB2 ALA A 12 11.109 -0.550 -14.219 1.00 65.21 H new ATOM 0 HB3 ALA A 12 10.726 0.918 -15.149 1.00 65.21 H new ATOM 197 N ALA A 13 12.794 2.489 -16.357 1.00 51.13 N ATOM 198 CA ALA A 13 13.115 3.323 -17.509 1.00 5.45 C ATOM 199 C ALA A 13 14.616 3.577 -17.601 1.00 24.32 C ATOM 200 O ALA A 13 15.197 3.534 -18.686 1.00 31.41 O ATOM 201 CB ALA A 13 12.359 4.642 -17.433 1.00 24.43 C ATOM 0 H ALA A 13 12.216 2.947 -15.652 1.00 51.13 H new ATOM 0 HA ALA A 13 12.806 2.791 -18.409 1.00 5.45 H new ATOM 0 HB1 ALA A 13 12.608 5.255 -18.299 1.00 24.43 H new ATOM 0 HB2 ALA A 13 11.287 4.447 -17.423 1.00 24.43 H new ATOM 0 HB3 ALA A 13 12.640 5.170 -16.522 1.00 24.43 H new ATOM 207 N ILE A 14 15.238 3.841 -16.457 1.00 4.41 N ATOM 208 CA ILE A 14 16.672 4.101 -16.410 1.00 12.32 C ATOM 209 C ILE A 14 17.468 2.871 -16.832 1.00 73.01 C ATOM 210 O ILE A 14 18.482 2.980 -17.522 1.00 11.23 O ATOM 211 CB ILE A 14 17.120 4.530 -15.000 1.00 63.21 C ATOM 212 CG1 ILE A 14 16.411 5.821 -14.586 1.00 31.30 C ATOM 213 CG2 ILE A 14 18.630 4.711 -14.957 1.00 1.50 C ATOM 214 CD1 ILE A 14 16.266 5.977 -13.088 1.00 62.14 C ATOM 0 H ILE A 14 14.772 3.881 -15.551 1.00 4.41 H new ATOM 0 HA ILE A 14 16.868 4.915 -17.108 1.00 12.32 H new ATOM 0 HB ILE A 14 16.847 3.746 -14.294 1.00 63.21 H new ATOM 0 HG12 ILE A 14 16.965 6.673 -14.980 1.00 31.30 H new ATOM 0 HG13 ILE A 14 15.422 5.845 -15.043 1.00 31.30 H new ATOM 0 HG21 ILE A 14 18.932 5.014 -13.954 1.00 1.50 H new ATOM 0 HG22 ILE A 14 19.117 3.770 -15.213 1.00 1.50 H new ATOM 0 HG23 ILE A 14 18.925 5.479 -15.672 1.00 1.50 H new ATOM 0 HD11 ILE A 14 15.755 6.914 -12.868 1.00 62.14 H new ATOM 0 HD12 ILE A 14 15.686 5.145 -12.690 1.00 62.14 H new ATOM 0 HD13 ILE A 14 17.253 5.985 -12.626 1.00 62.14 H new ATOM 226 N LYS A 15 17.000 1.699 -16.415 1.00 44.13 N ATOM 227 CA LYS A 15 17.665 0.446 -16.752 1.00 45.01 C ATOM 228 C LYS A 15 17.557 0.157 -18.246 1.00 21.11 C ATOM 229 O LYS A 15 18.527 -0.258 -18.881 1.00 43.41 O ATOM 230 CB LYS A 15 17.058 -0.709 -15.953 1.00 15.22 C ATOM 231 CG LYS A 15 18.084 -1.526 -15.188 1.00 2.45 C ATOM 232 CD LYS A 15 17.915 -3.014 -15.443 1.00 2.04 C ATOM 233 CE LYS A 15 16.648 -3.550 -14.795 1.00 73.10 C ATOM 234 NZ LYS A 15 15.707 -4.115 -15.802 1.00 15.54 N ATOM 0 H LYS A 15 16.162 1.591 -15.843 1.00 44.13 H new ATOM 0 HA LYS A 15 18.720 0.543 -16.494 1.00 45.01 H new ATOM 0 HB2 LYS A 15 16.328 -0.309 -15.250 1.00 15.22 H new ATOM 0 HB3 LYS A 15 16.518 -1.366 -16.634 1.00 15.22 H new ATOM 0 HG2 LYS A 15 19.088 -1.218 -15.481 1.00 2.45 H new ATOM 0 HG3 LYS A 15 17.988 -1.326 -14.121 1.00 2.45 H new ATOM 0 HD2 LYS A 15 17.882 -3.199 -16.517 1.00 2.04 H new ATOM 0 HD3 LYS A 15 18.780 -3.551 -15.054 1.00 2.04 H new ATOM 0 HE2 LYS A 15 16.909 -4.320 -14.069 1.00 73.10 H new ATOM 0 HE3 LYS A 15 16.154 -2.749 -14.246 1.00 73.10 H new ATOM 0 HZ1 LYS A 15 14.856 -4.470 -15.321 1.00 15.54 H new ATOM 0 HZ2 LYS A 15 15.438 -3.374 -16.480 1.00 15.54 H new ATOM 0 HZ3 LYS A 15 16.169 -4.896 -16.309 1.00 15.54 H new ATOM 248 N THR A 16 16.370 0.379 -18.803 1.00 5.33 N ATOM 249 CA THR A 16 16.136 0.143 -20.221 1.00 54.15 C ATOM 250 C THR A 16 17.035 1.024 -21.082 1.00 33.43 C ATOM 251 O THR A 16 17.766 0.529 -21.940 1.00 3.24 O ATOM 252 CB THR A 16 14.666 0.406 -20.599 1.00 15.20 C ATOM 253 OG1 THR A 16 13.799 -0.115 -19.585 1.00 74.04 O ATOM 254 CG2 THR A 16 14.328 -0.231 -21.939 1.00 25.15 C ATOM 0 H THR A 16 15.556 0.722 -18.293 1.00 5.33 H new ATOM 0 HA THR A 16 16.371 -0.905 -20.409 1.00 54.15 H new ATOM 0 HB THR A 16 14.523 1.483 -20.681 1.00 15.20 H new ATOM 0 HG1 THR A 16 13.704 0.544 -18.865 1.00 74.04 H new ATOM 0 HG21 THR A 16 13.285 -0.031 -22.184 1.00 25.15 H new ATOM 0 HG22 THR A 16 14.969 0.189 -22.714 1.00 25.15 H new ATOM 0 HG23 THR A 16 14.487 -1.308 -21.881 1.00 25.15 H new ATOM 262 N ARG A 17 16.976 2.330 -20.846 1.00 54.24 N ATOM 263 CA ARG A 17 17.785 3.280 -21.601 1.00 32.32 C ATOM 264 C ARG A 17 19.272 3.039 -21.359 1.00 1.44 C ATOM 265 O ARG A 17 20.097 3.237 -22.252 1.00 14.31 O ATOM 266 CB ARG A 17 17.419 4.714 -21.214 1.00 45.01 C ATOM 267 CG ARG A 17 16.422 5.364 -22.159 1.00 43.41 C ATOM 268 CD ARG A 17 14.998 5.233 -21.642 1.00 41.15 C ATOM 269 NE ARG A 17 14.013 5.622 -22.648 1.00 60.22 N ATOM 270 CZ ARG A 17 13.706 6.884 -22.927 1.00 32.22 C ATOM 271 NH1 ARG A 17 14.304 7.874 -22.279 1.00 22.32 N ATOM 272 NH2 ARG A 17 12.799 7.158 -23.856 1.00 33.43 N ATOM 0 H ARG A 17 16.377 2.755 -20.138 1.00 54.24 H new ATOM 0 HA ARG A 17 17.579 3.134 -22.661 1.00 32.32 H new ATOM 0 HB2 ARG A 17 17.005 4.715 -20.206 1.00 45.01 H new ATOM 0 HB3 ARG A 17 18.327 5.317 -21.186 1.00 45.01 H new ATOM 0 HG2 ARG A 17 16.670 6.418 -22.282 1.00 43.41 H new ATOM 0 HG3 ARG A 17 16.497 4.902 -23.143 1.00 43.41 H new ATOM 0 HD2 ARG A 17 14.817 4.203 -21.336 1.00 41.15 H new ATOM 0 HD3 ARG A 17 14.876 5.855 -20.755 1.00 41.15 H new ATOM 0 HE ARG A 17 13.535 4.884 -23.165 1.00 60.22 H new ATOM 0 HH11 ARG A 17 15.002 7.668 -21.564 1.00 22.32 H new ATOM 0 HH12 ARG A 17 14.066 8.842 -22.495 1.00 22.32 H new ATOM 0 HH21 ARG A 17 12.337 6.399 -24.357 1.00 33.43 H new ATOM 0 HH22 ARG A 17 12.564 8.127 -24.069 1.00 33.43 H new ATOM 286 N CYS A 18 19.607 2.613 -20.146 1.00 62.32 N ATOM 287 CA CYS A 18 20.995 2.347 -19.786 1.00 24.42 C ATOM 288 C CYS A 18 21.523 1.120 -20.523 1.00 41.33 C ATOM 289 O CYS A 18 22.688 1.076 -20.918 1.00 31.10 O ATOM 290 CB CYS A 18 21.122 2.142 -18.275 1.00 73.05 C ATOM 291 SG CYS A 18 22.694 1.414 -17.758 1.00 41.51 S ATOM 0 H CYS A 18 18.937 2.445 -19.396 1.00 62.32 H new ATOM 0 HA CYS A 18 21.592 3.210 -20.080 1.00 24.42 H new ATOM 0 HB2 CYS A 18 20.998 3.104 -17.777 1.00 73.05 H new ATOM 0 HB3 CYS A 18 20.308 1.501 -17.937 1.00 73.05 H new ATOM 0 HG CYS A 18 23.379 2.292 -17.087 1.00 41.51 H new ATOM 297 N GLN A 19 20.658 0.127 -20.704 1.00 4.22 N ATOM 298 CA GLN A 19 21.039 -1.101 -21.392 1.00 11.32 C ATOM 299 C GLN A 19 21.206 -0.857 -22.888 1.00 72.11 C ATOM 300 O GLN A 19 22.160 -1.333 -23.502 1.00 23.33 O ATOM 301 CB GLN A 19 19.991 -2.189 -21.154 1.00 71.31 C ATOM 302 CG GLN A 19 19.889 -2.629 -19.703 1.00 23.44 C ATOM 303 CD GLN A 19 20.400 -4.040 -19.483 1.00 53.13 C ATOM 304 OE1 GLN A 19 19.745 -5.014 -19.855 1.00 60.23 O ATOM 305 NE2 GLN A 19 21.575 -4.157 -18.877 1.00 1.24 N ATOM 0 H GLN A 19 19.690 0.149 -20.384 1.00 4.22 H new ATOM 0 HA GLN A 19 21.995 -1.433 -20.988 1.00 11.32 H new ATOM 0 HB2 GLN A 19 19.018 -1.823 -21.483 1.00 71.31 H new ATOM 0 HB3 GLN A 19 20.231 -3.055 -21.771 1.00 71.31 H new ATOM 0 HG2 GLN A 19 20.456 -1.940 -19.078 1.00 23.44 H new ATOM 0 HG3 GLN A 19 18.849 -2.569 -19.381 1.00 23.44 H new ATOM 0 HE21 GLN A 19 22.084 -3.322 -18.585 1.00 1.24 H new ATOM 0 HE22 GLN A 19 21.969 -5.081 -18.703 1.00 1.24 H new ATOM 314 N ALA A 20 20.271 -0.113 -23.469 1.00 53.33 N ATOM 315 CA ALA A 20 20.315 0.195 -24.893 1.00 43.42 C ATOM 316 C ALA A 20 21.366 1.259 -25.192 1.00 43.11 C ATOM 317 O ALA A 20 21.917 1.310 -26.293 1.00 10.53 O ATOM 318 CB ALA A 20 18.947 0.652 -25.378 1.00 21.24 C ATOM 0 H ALA A 20 19.473 0.288 -22.975 1.00 53.33 H new ATOM 0 HA ALA A 20 20.592 -0.714 -25.427 1.00 43.42 H new ATOM 0 HB1 ALA A 20 18.996 0.878 -26.443 1.00 21.24 H new ATOM 0 HB2 ALA A 20 18.218 -0.140 -25.208 1.00 21.24 H new ATOM 0 HB3 ALA A 20 18.647 1.545 -24.831 1.00 21.24 H new ATOM 324 N LEU A 21 21.640 2.107 -24.207 1.00 32.13 N ATOM 325 CA LEU A 21 22.625 3.171 -24.364 1.00 42.14 C ATOM 326 C LEU A 21 22.348 3.987 -25.623 1.00 4.42 C ATOM 327 O LEU A 21 23.263 4.547 -26.226 1.00 1.23 O ATOM 328 CB LEU A 21 24.036 2.582 -24.425 1.00 13.11 C ATOM 329 CG LEU A 21 24.592 2.036 -23.109 1.00 71.14 C ATOM 330 CD1 LEU A 21 26.006 1.511 -23.305 1.00 10.44 C ATOM 331 CD2 LEU A 21 24.563 3.110 -22.032 1.00 24.24 C ATOM 0 H LEU A 21 21.193 2.078 -23.290 1.00 32.13 H new ATOM 0 HA LEU A 21 22.551 3.832 -23.500 1.00 42.14 H new ATOM 0 HB2 LEU A 21 24.041 1.777 -25.160 1.00 13.11 H new ATOM 0 HB3 LEU A 21 24.714 3.353 -24.791 1.00 13.11 H new ATOM 0 HG LEU A 21 23.961 1.208 -22.785 1.00 71.14 H new ATOM 0 HD11 LEU A 21 26.386 1.126 -22.358 1.00 10.44 H new ATOM 0 HD12 LEU A 21 25.998 0.710 -24.045 1.00 10.44 H new ATOM 0 HD13 LEU A 21 26.649 2.319 -23.653 1.00 10.44 H new ATOM 0 HD21 LEU A 21 24.962 2.704 -21.102 1.00 24.24 H new ATOM 0 HD22 LEU A 21 25.170 3.958 -22.348 1.00 24.24 H new ATOM 0 HD23 LEU A 21 23.536 3.438 -21.873 1.00 24.24 H new ATOM 343 N GLY A 22 21.079 4.052 -26.013 1.00 12.32 N ATOM 344 CA GLY A 22 20.704 4.804 -27.196 1.00 52.20 C ATOM 345 C GLY A 22 20.225 6.204 -26.866 1.00 1.02 C ATOM 346 O GLY A 22 20.042 7.032 -27.757 1.00 65.35 O ATOM 0 H GLY A 22 20.304 3.597 -25.531 1.00 12.32 H new ATOM 0 HA2 GLY A 22 21.559 4.865 -27.870 1.00 52.20 H new ATOM 0 HA3 GLY A 22 19.917 4.270 -27.728 1.00 52.20 H new ATOM 350 N GLY A 23 20.019 6.470 -25.579 1.00 64.42 N ATOM 351 CA GLY A 23 19.559 7.779 -25.157 1.00 12.25 C ATOM 352 C GLY A 23 20.438 8.899 -25.677 1.00 24.25 C ATOM 353 O GLY A 23 20.017 9.685 -26.525 1.00 5.10 O ATOM 0 H GLY A 23 20.163 5.802 -24.822 1.00 64.42 H new ATOM 0 HA2 GLY A 23 18.538 7.931 -25.506 1.00 12.25 H new ATOM 0 HA3 GLY A 23 19.533 7.818 -24.068 1.00 12.25 H new ATOM 357 N SER A 24 21.663 8.973 -25.166 1.00 23.14 N ATOM 358 CA SER A 24 22.603 10.008 -25.580 1.00 11.33 C ATOM 359 C SER A 24 23.934 9.857 -24.850 1.00 10.55 C ATOM 360 O SER A 24 23.969 9.540 -23.661 1.00 40.42 O ATOM 361 CB SER A 24 22.016 11.396 -25.313 1.00 21.34 C ATOM 362 OG SER A 24 21.649 12.036 -26.522 1.00 71.34 O ATOM 0 H SER A 24 22.028 8.328 -24.465 1.00 23.14 H new ATOM 0 HA SER A 24 22.781 9.896 -26.650 1.00 11.33 H new ATOM 0 HB2 SER A 24 21.143 11.307 -24.666 1.00 21.34 H new ATOM 0 HB3 SER A 24 22.746 12.007 -24.782 1.00 21.34 H new ATOM 0 HG SER A 24 20.959 11.508 -26.975 1.00 71.34 H new ATOM 368 N GLU A 25 25.027 10.087 -25.571 1.00 12.22 N ATOM 369 CA GLU A 25 26.361 9.976 -24.992 1.00 14.11 C ATOM 370 C GLU A 25 26.454 10.760 -23.686 1.00 31.42 C ATOM 371 O GLU A 25 27.133 10.344 -22.748 1.00 3.13 O ATOM 372 CB GLU A 25 27.413 10.483 -25.980 1.00 3.02 C ATOM 373 CG GLU A 25 27.142 11.888 -26.491 1.00 72.11 C ATOM 374 CD GLU A 25 28.144 12.901 -25.973 1.00 42.03 C ATOM 375 OE1 GLU A 25 27.988 13.355 -24.821 1.00 24.04 O ATOM 376 OE2 GLU A 25 29.085 13.240 -26.722 1.00 30.42 O ATOM 0 H GLU A 25 25.015 10.351 -26.556 1.00 12.22 H new ATOM 0 HA GLU A 25 26.551 8.924 -24.778 1.00 14.11 H new ATOM 0 HB2 GLU A 25 28.391 10.463 -25.499 1.00 3.02 H new ATOM 0 HB3 GLU A 25 27.461 9.800 -26.828 1.00 3.02 H new ATOM 0 HG2 GLU A 25 27.165 11.885 -27.581 1.00 72.11 H new ATOM 0 HG3 GLU A 25 26.138 12.191 -26.194 1.00 72.11 H new ATOM 383 N ALA A 26 25.766 11.896 -23.634 1.00 25.21 N ATOM 384 CA ALA A 26 25.770 12.737 -22.444 1.00 1.14 C ATOM 385 C ALA A 26 24.710 12.282 -21.447 1.00 14.33 C ATOM 386 O ALA A 26 24.924 12.328 -20.236 1.00 34.32 O ATOM 387 CB ALA A 26 25.548 14.193 -22.826 1.00 2.13 C ATOM 0 H ALA A 26 25.199 12.255 -24.402 1.00 25.21 H new ATOM 0 HA ALA A 26 26.745 12.643 -21.966 1.00 1.14 H new ATOM 0 HB1 ALA A 26 25.553 14.810 -21.927 1.00 2.13 H new ATOM 0 HB2 ALA A 26 26.345 14.519 -23.495 1.00 2.13 H new ATOM 0 HB3 ALA A 26 24.587 14.294 -23.330 1.00 2.13 H new ATOM 393 N GLU A 27 23.566 11.845 -21.964 1.00 71.05 N ATOM 394 CA GLU A 27 22.472 11.384 -21.118 1.00 31.40 C ATOM 395 C GLU A 27 22.963 10.349 -20.110 1.00 3.15 C ATOM 396 O GLU A 27 22.464 10.275 -18.986 1.00 55.43 O ATOM 397 CB GLU A 27 21.353 10.787 -21.973 1.00 75.54 C ATOM 398 CG GLU A 27 20.242 11.772 -22.296 1.00 71.24 C ATOM 399 CD GLU A 27 19.101 11.134 -23.066 1.00 25.34 C ATOM 400 OE1 GLU A 27 18.591 10.089 -22.610 1.00 14.01 O ATOM 401 OE2 GLU A 27 18.720 11.678 -24.123 1.00 1.03 O ATOM 0 H GLU A 27 23.373 11.801 -22.965 1.00 71.05 H new ATOM 0 HA GLU A 27 22.083 12.243 -20.571 1.00 31.40 H new ATOM 0 HB2 GLU A 27 21.779 10.414 -22.905 1.00 75.54 H new ATOM 0 HB3 GLU A 27 20.927 9.930 -21.452 1.00 75.54 H new ATOM 0 HG2 GLU A 27 19.857 12.196 -21.369 1.00 71.24 H new ATOM 0 HG3 GLU A 27 20.651 12.597 -22.878 1.00 71.24 H new ATOM 408 N CYS A 28 23.944 9.552 -20.519 1.00 0.31 N ATOM 409 CA CYS A 28 24.503 8.520 -19.653 1.00 12.45 C ATOM 410 C CYS A 28 24.908 9.104 -18.303 1.00 41.31 C ATOM 411 O CYS A 28 24.630 8.523 -17.255 1.00 73.50 O ATOM 412 CB CYS A 28 25.711 7.863 -20.321 1.00 41.21 C ATOM 413 SG CYS A 28 25.390 7.258 -21.994 1.00 62.43 S ATOM 0 H CYS A 28 24.369 9.601 -21.445 1.00 0.31 H new ATOM 0 HA CYS A 28 23.735 7.765 -19.486 1.00 12.45 H new ATOM 0 HB2 CYS A 28 26.529 8.583 -20.357 1.00 41.21 H new ATOM 0 HB3 CYS A 28 26.046 7.030 -19.703 1.00 41.21 H new ATOM 0 HG CYS A 28 24.785 8.181 -22.681 1.00 62.43 H new ATOM 419 N ALA A 29 25.569 10.257 -18.337 1.00 54.03 N ATOM 420 CA ALA A 29 26.012 10.920 -17.117 1.00 61.13 C ATOM 421 C ALA A 29 24.846 11.149 -16.162 1.00 31.11 C ATOM 422 O ALA A 29 24.891 10.737 -15.003 1.00 54.31 O ATOM 423 CB ALA A 29 26.691 12.240 -17.451 1.00 12.22 C ATOM 0 H ALA A 29 25.809 10.751 -19.196 1.00 54.03 H new ATOM 0 HA ALA A 29 26.732 10.269 -16.620 1.00 61.13 H new ATOM 0 HB1 ALA A 29 27.017 12.725 -16.531 1.00 12.22 H new ATOM 0 HB2 ALA A 29 27.555 12.054 -18.089 1.00 12.22 H new ATOM 0 HB3 ALA A 29 25.988 12.889 -17.973 1.00 12.22 H new ATOM 429 N ALA A 30 23.803 11.809 -16.656 1.00 23.23 N ATOM 430 CA ALA A 30 22.625 12.091 -15.846 1.00 13.22 C ATOM 431 C ALA A 30 22.037 10.809 -15.265 1.00 45.23 C ATOM 432 O ALA A 30 21.515 10.803 -14.150 1.00 50.15 O ATOM 433 CB ALA A 30 21.580 12.826 -16.673 1.00 32.53 C ATOM 0 H ALA A 30 23.750 12.158 -17.613 1.00 23.23 H new ATOM 0 HA ALA A 30 22.930 12.728 -15.016 1.00 13.22 H new ATOM 0 HB1 ALA A 30 20.705 13.030 -16.056 1.00 32.53 H new ATOM 0 HB2 ALA A 30 21.997 13.766 -17.034 1.00 32.53 H new ATOM 0 HB3 ALA A 30 21.288 12.209 -17.523 1.00 32.53 H new ATOM 439 N PHE A 31 22.126 9.725 -16.028 1.00 70.23 N ATOM 440 CA PHE A 31 21.602 8.437 -15.590 1.00 35.31 C ATOM 441 C PHE A 31 22.357 7.930 -14.365 1.00 4.20 C ATOM 442 O PHE A 31 21.752 7.543 -13.366 1.00 71.33 O ATOM 443 CB PHE A 31 21.697 7.412 -16.722 1.00 34.52 C ATOM 444 CG PHE A 31 20.398 7.196 -17.446 1.00 25.11 C ATOM 445 CD1 PHE A 31 19.531 8.253 -17.669 1.00 34.40 C ATOM 446 CD2 PHE A 31 20.046 5.936 -17.903 1.00 51.30 C ATOM 447 CE1 PHE A 31 18.335 8.058 -18.335 1.00 63.24 C ATOM 448 CE2 PHE A 31 18.852 5.736 -18.570 1.00 64.53 C ATOM 449 CZ PHE A 31 17.995 6.797 -18.786 1.00 5.23 C ATOM 0 H PHE A 31 22.556 9.713 -16.953 1.00 70.23 H new ATOM 0 HA PHE A 31 20.555 8.573 -15.319 1.00 35.31 H new ATOM 0 HB2 PHE A 31 22.452 7.741 -17.437 1.00 34.52 H new ATOM 0 HB3 PHE A 31 22.038 6.461 -16.313 1.00 34.52 H new ATOM 0 HD1 PHE A 31 19.792 9.241 -17.319 1.00 34.40 H new ATOM 0 HD2 PHE A 31 20.711 5.102 -17.736 1.00 51.30 H new ATOM 0 HE1 PHE A 31 17.667 8.890 -18.502 1.00 63.24 H new ATOM 0 HE2 PHE A 31 18.589 4.750 -18.922 1.00 64.53 H new ATOM 0 HZ PHE A 31 17.061 6.642 -19.306 1.00 5.23 H new ATOM 459 N GLU A 32 23.684 7.936 -14.451 1.00 50.41 N ATOM 460 CA GLU A 32 24.522 7.476 -13.350 1.00 44.24 C ATOM 461 C GLU A 32 24.236 8.270 -12.079 1.00 55.22 C ATOM 462 O GLU A 32 24.075 7.700 -11.000 1.00 35.10 O ATOM 463 CB GLU A 32 26.002 7.601 -13.720 1.00 51.51 C ATOM 464 CG GLU A 32 26.946 7.225 -12.590 1.00 54.03 C ATOM 465 CD GLU A 32 27.786 6.005 -12.914 1.00 34.22 C ATOM 466 OE1 GLU A 32 27.327 4.878 -12.632 1.00 31.21 O ATOM 467 OE2 GLU A 32 28.901 6.176 -13.448 1.00 51.33 O ATOM 0 H GLU A 32 24.201 8.254 -15.271 1.00 50.41 H new ATOM 0 HA GLU A 32 24.288 6.428 -13.163 1.00 44.24 H new ATOM 0 HB2 GLU A 32 26.208 6.965 -14.581 1.00 51.51 H new ATOM 0 HB3 GLU A 32 26.206 8.627 -14.026 1.00 51.51 H new ATOM 0 HG2 GLU A 32 27.603 8.068 -12.375 1.00 54.03 H new ATOM 0 HG3 GLU A 32 26.367 7.034 -11.686 1.00 54.03 H new ATOM 474 N LYS A 33 24.174 9.591 -12.215 1.00 34.52 N ATOM 475 CA LYS A 33 23.906 10.465 -11.079 1.00 53.02 C ATOM 476 C LYS A 33 22.562 10.131 -10.440 1.00 74.13 C ATOM 477 O LYS A 33 22.475 9.921 -9.231 1.00 73.30 O ATOM 478 CB LYS A 33 23.922 11.930 -11.522 1.00 73.23 C ATOM 479 CG LYS A 33 25.246 12.628 -11.266 1.00 12.42 C ATOM 480 CD LYS A 33 25.712 13.404 -12.486 1.00 44.50 C ATOM 481 CE LYS A 33 26.329 14.739 -12.096 1.00 22.25 C ATOM 482 NZ LYS A 33 25.355 15.858 -12.221 1.00 1.11 N ATOM 0 H LYS A 33 24.306 10.079 -13.101 1.00 34.52 H new ATOM 0 HA LYS A 33 24.690 10.307 -10.338 1.00 53.02 H new ATOM 0 HB2 LYS A 33 23.694 11.981 -12.587 1.00 73.23 H new ATOM 0 HB3 LYS A 33 23.130 12.467 -11.000 1.00 73.23 H new ATOM 0 HG2 LYS A 33 25.143 13.307 -10.419 1.00 12.42 H new ATOM 0 HG3 LYS A 33 26.000 11.890 -10.993 1.00 12.42 H new ATOM 0 HD2 LYS A 33 26.442 12.812 -13.038 1.00 44.50 H new ATOM 0 HD3 LYS A 33 24.868 13.574 -13.155 1.00 44.50 H new ATOM 0 HE2 LYS A 33 26.691 14.686 -11.069 1.00 22.25 H new ATOM 0 HE3 LYS A 33 27.194 14.938 -12.729 1.00 22.25 H new ATOM 0 HZ1 LYS A 33 25.814 16.750 -11.946 1.00 1.11 H new ATOM 0 HZ2 LYS A 33 25.029 15.926 -13.206 1.00 1.11 H new ATOM 0 HZ3 LYS A 33 24.541 15.681 -11.598 1.00 1.11 H new ATOM 496 N GLU A 34 21.517 10.082 -11.261 1.00 51.41 N ATOM 497 CA GLU A 34 20.178 9.773 -10.774 1.00 73.24 C ATOM 498 C GLU A 34 20.178 8.477 -9.968 1.00 73.04 C ATOM 499 O GLU A 34 19.619 8.415 -8.873 1.00 3.43 O ATOM 500 CB GLU A 34 19.199 9.658 -11.945 1.00 64.13 C ATOM 501 CG GLU A 34 17.978 10.552 -11.808 1.00 63.31 C ATOM 502 CD GLU A 34 17.028 10.426 -12.983 1.00 45.25 C ATOM 503 OE1 GLU A 34 17.457 10.701 -14.124 1.00 3.01 O ATOM 504 OE2 GLU A 34 15.857 10.054 -12.763 1.00 62.23 O ATOM 0 H GLU A 34 21.572 10.252 -12.265 1.00 51.41 H new ATOM 0 HA GLU A 34 19.860 10.586 -10.122 1.00 73.24 H new ATOM 0 HB2 GLU A 34 19.720 9.908 -12.869 1.00 64.13 H new ATOM 0 HB3 GLU A 34 18.872 8.622 -12.034 1.00 64.13 H new ATOM 0 HG2 GLU A 34 17.449 10.300 -10.889 1.00 63.31 H new ATOM 0 HG3 GLU A 34 18.300 11.589 -11.716 1.00 63.31 H new ATOM 511 N ILE A 35 20.807 7.445 -10.519 1.00 62.43 N ATOM 512 CA ILE A 35 20.880 6.151 -9.852 1.00 64.21 C ATOM 513 C ILE A 35 21.569 6.269 -8.497 1.00 2.32 C ATOM 514 O ILE A 35 21.105 5.713 -7.502 1.00 72.34 O ATOM 515 CB ILE A 35 21.634 5.117 -10.710 1.00 1.03 C ATOM 516 CG1 ILE A 35 20.858 4.826 -11.996 1.00 31.23 C ATOM 517 CG2 ILE A 35 21.860 3.837 -9.919 1.00 72.23 C ATOM 518 CD1 ILE A 35 19.547 4.109 -11.761 1.00 31.31 C ATOM 0 H ILE A 35 21.273 7.479 -11.425 1.00 62.43 H new ATOM 0 HA ILE A 35 19.854 5.813 -9.707 1.00 64.21 H new ATOM 0 HB ILE A 35 22.606 5.530 -10.981 1.00 1.03 H new ATOM 0 HG12 ILE A 35 20.662 5.765 -12.513 1.00 31.23 H new ATOM 0 HG13 ILE A 35 21.480 4.222 -12.657 1.00 31.23 H new ATOM 0 HG21 ILE A 35 22.394 3.116 -10.538 1.00 72.23 H new ATOM 0 HG22 ILE A 35 22.450 4.058 -9.030 1.00 72.23 H new ATOM 0 HG23 ILE A 35 20.898 3.418 -9.622 1.00 72.23 H new ATOM 0 HD11 ILE A 35 19.051 3.935 -12.716 1.00 31.31 H new ATOM 0 HD12 ILE A 35 19.737 3.154 -11.272 1.00 31.31 H new ATOM 0 HD13 ILE A 35 18.907 4.721 -11.125 1.00 31.31 H new ATOM 530 N ALA A 36 22.679 7.000 -8.465 1.00 52.10 N ATOM 531 CA ALA A 36 23.430 7.195 -7.231 1.00 53.41 C ATOM 532 C ALA A 36 22.543 7.778 -6.135 1.00 63.43 C ATOM 533 O ALA A 36 22.536 7.290 -5.005 1.00 44.43 O ATOM 534 CB ALA A 36 24.628 8.100 -7.480 1.00 34.01 C ATOM 0 H ALA A 36 23.078 7.467 -9.280 1.00 52.10 H new ATOM 0 HA ALA A 36 23.787 6.222 -6.894 1.00 53.41 H new ATOM 0 HB1 ALA A 36 25.180 8.237 -6.550 1.00 34.01 H new ATOM 0 HB2 ALA A 36 25.280 7.644 -8.225 1.00 34.01 H new ATOM 0 HB3 ALA A 36 24.283 9.068 -7.843 1.00 34.01 H new ATOM 540 N ALA A 37 21.797 8.823 -6.477 1.00 43.02 N ATOM 541 CA ALA A 37 20.906 9.471 -5.522 1.00 64.44 C ATOM 542 C ALA A 37 19.753 8.551 -5.137 1.00 74.13 C ATOM 543 O ALA A 37 19.261 8.594 -4.009 1.00 52.34 O ATOM 544 CB ALA A 37 20.375 10.775 -6.098 1.00 12.05 C ATOM 0 H ALA A 37 21.792 9.239 -7.408 1.00 43.02 H new ATOM 0 HA ALA A 37 21.477 9.691 -4.620 1.00 64.44 H new ATOM 0 HB1 ALA A 37 19.711 11.249 -5.375 1.00 12.05 H new ATOM 0 HB2 ALA A 37 21.209 11.442 -6.317 1.00 12.05 H new ATOM 0 HB3 ALA A 37 19.824 10.570 -7.016 1.00 12.05 H new ATOM 550 N PHE A 38 19.324 7.720 -6.081 1.00 63.54 N ATOM 551 CA PHE A 38 18.226 6.790 -5.841 1.00 45.20 C ATOM 552 C PHE A 38 18.582 5.803 -4.733 1.00 1.31 C ATOM 553 O PHE A 38 17.848 5.661 -3.756 1.00 10.44 O ATOM 554 CB PHE A 38 17.882 6.031 -7.124 1.00 45.23 C ATOM 555 CG PHE A 38 16.555 6.418 -7.712 1.00 24.31 C ATOM 556 CD1 PHE A 38 16.273 7.742 -8.007 1.00 33.22 C ATOM 557 CD2 PHE A 38 15.591 5.457 -7.970 1.00 12.20 C ATOM 558 CE1 PHE A 38 15.052 8.100 -8.547 1.00 10.12 C ATOM 559 CE2 PHE A 38 14.368 5.810 -8.510 1.00 63.53 C ATOM 560 CZ PHE A 38 14.099 7.133 -8.800 1.00 61.30 C ATOM 0 H PHE A 38 19.720 7.671 -7.020 1.00 63.54 H new ATOM 0 HA PHE A 38 17.357 7.367 -5.525 1.00 45.20 H new ATOM 0 HB2 PHE A 38 18.664 6.209 -7.863 1.00 45.23 H new ATOM 0 HB3 PHE A 38 17.879 4.961 -6.914 1.00 45.23 H new ATOM 0 HD1 PHE A 38 17.015 8.502 -7.813 1.00 33.22 H new ATOM 0 HD2 PHE A 38 15.797 4.421 -7.747 1.00 12.20 H new ATOM 0 HE1 PHE A 38 14.843 9.136 -8.771 1.00 10.12 H new ATOM 0 HE2 PHE A 38 13.624 5.052 -8.705 1.00 63.53 H new ATOM 0 HZ PHE A 38 13.145 7.411 -9.224 1.00 61.30 H new ATOM 570 N GLU A 39 19.713 5.124 -4.894 1.00 62.33 N ATOM 571 CA GLU A 39 20.165 4.149 -3.908 1.00 43.14 C ATOM 572 C GLU A 39 20.519 4.832 -2.590 1.00 52.35 C ATOM 573 O GLU A 39 20.255 4.300 -1.513 1.00 23.54 O ATOM 574 CB GLU A 39 21.377 3.380 -4.438 1.00 23.42 C ATOM 575 CG GLU A 39 22.564 4.268 -4.771 1.00 22.13 C ATOM 576 CD GLU A 39 23.710 3.499 -5.400 1.00 52.21 C ATOM 577 OE1 GLU A 39 24.339 2.686 -4.692 1.00 71.41 O ATOM 578 OE2 GLU A 39 23.977 3.712 -6.602 1.00 34.34 O ATOM 0 H GLU A 39 20.333 5.231 -5.697 1.00 62.33 H new ATOM 0 HA GLU A 39 19.350 3.449 -3.727 1.00 43.14 H new ATOM 0 HB2 GLU A 39 21.682 2.643 -3.695 1.00 23.42 H new ATOM 0 HB3 GLU A 39 21.084 2.829 -5.332 1.00 23.42 H new ATOM 0 HG2 GLU A 39 22.243 5.056 -5.452 1.00 22.13 H new ATOM 0 HG3 GLU A 39 22.915 4.756 -3.861 1.00 22.13 H new ATOM 585 N SER A 40 21.118 6.015 -2.686 1.00 12.01 N ATOM 586 CA SER A 40 21.512 6.770 -1.502 1.00 60.02 C ATOM 587 C SER A 40 20.286 7.260 -0.738 1.00 2.35 C ATOM 588 O SER A 40 20.313 7.381 0.487 1.00 62.13 O ATOM 589 CB SER A 40 22.389 7.959 -1.898 1.00 43.05 C ATOM 590 OG SER A 40 21.599 9.074 -2.272 1.00 13.11 O ATOM 0 H SER A 40 21.341 6.471 -3.571 1.00 12.01 H new ATOM 0 HA SER A 40 22.083 6.107 -0.852 1.00 60.02 H new ATOM 0 HB2 SER A 40 23.036 8.231 -1.064 1.00 43.05 H new ATOM 0 HB3 SER A 40 23.039 7.676 -2.726 1.00 43.05 H new ATOM 0 HG SER A 40 20.862 8.775 -2.845 1.00 13.11 H new ATOM 596 N GLU A 41 19.213 7.541 -1.470 1.00 10.41 N ATOM 597 CA GLU A 41 17.977 8.020 -0.861 1.00 23.41 C ATOM 598 C GLU A 41 17.131 6.853 -0.360 1.00 11.04 C ATOM 599 O GLU A 41 16.359 6.994 0.590 1.00 53.24 O ATOM 600 CB GLU A 41 17.176 8.851 -1.865 1.00 61.21 C ATOM 601 CG GLU A 41 17.652 10.289 -1.981 1.00 54.31 C ATOM 602 CD GLU A 41 16.750 11.263 -1.247 1.00 72.33 C ATOM 603 OE1 GLU A 41 15.559 11.358 -1.613 1.00 3.44 O ATOM 604 OE2 GLU A 41 17.234 11.929 -0.309 1.00 31.34 O ATOM 0 H GLU A 41 19.174 7.445 -2.485 1.00 10.41 H new ATOM 0 HA GLU A 41 18.240 8.648 -0.010 1.00 23.41 H new ATOM 0 HB2 GLU A 41 17.235 8.377 -2.845 1.00 61.21 H new ATOM 0 HB3 GLU A 41 16.126 8.847 -1.572 1.00 61.21 H new ATOM 0 HG2 GLU A 41 18.664 10.366 -1.583 1.00 54.31 H new ATOM 0 HG3 GLU A 41 17.701 10.568 -3.034 1.00 54.31 H new ATOM 611 N LEU A 42 17.281 5.701 -1.004 1.00 41.21 N ATOM 612 CA LEU A 42 16.531 4.509 -0.625 1.00 73.10 C ATOM 613 C LEU A 42 17.209 3.783 0.532 1.00 3.55 C ATOM 614 O LEU A 42 16.561 3.063 1.291 1.00 53.31 O ATOM 615 CB LEU A 42 16.394 3.567 -1.822 1.00 75.42 C ATOM 616 CG LEU A 42 15.481 4.045 -2.952 1.00 43.41 C ATOM 617 CD1 LEU A 42 15.729 3.238 -4.217 1.00 4.02 C ATOM 618 CD2 LEU A 42 14.021 3.951 -2.535 1.00 11.11 C ATOM 0 H LEU A 42 17.915 5.567 -1.791 1.00 41.21 H new ATOM 0 HA LEU A 42 15.539 4.823 -0.301 1.00 73.10 H new ATOM 0 HB2 LEU A 42 17.387 3.390 -2.235 1.00 75.42 H new ATOM 0 HB3 LEU A 42 16.022 2.607 -1.463 1.00 75.42 H new ATOM 0 HG LEU A 42 15.711 5.090 -3.161 1.00 43.41 H new ATOM 0 HD11 LEU A 42 15.070 3.593 -5.010 1.00 4.02 H new ATOM 0 HD12 LEU A 42 16.767 3.358 -4.527 1.00 4.02 H new ATOM 0 HD13 LEU A 42 15.528 2.185 -4.022 1.00 4.02 H new ATOM 0 HD21 LEU A 42 13.386 4.295 -3.352 1.00 11.11 H new ATOM 0 HD22 LEU A 42 13.776 2.916 -2.297 1.00 11.11 H new ATOM 0 HD23 LEU A 42 13.853 4.575 -1.657 1.00 11.11 H new ATOM 630 N GLN A 43 18.517 3.981 0.662 1.00 22.33 N ATOM 631 CA GLN A 43 19.283 3.346 1.729 1.00 52.13 C ATOM 632 C GLN A 43 19.099 4.090 3.047 1.00 23.04 C ATOM 633 O GLN A 43 19.319 3.532 4.122 1.00 61.21 O ATOM 634 CB GLN A 43 20.766 3.296 1.360 1.00 45.11 C ATOM 635 CG GLN A 43 21.477 4.631 1.514 1.00 2.04 C ATOM 636 CD GLN A 43 22.361 4.683 2.745 1.00 61.41 C ATOM 637 OE1 GLN A 43 22.027 4.120 3.788 1.00 73.53 O ATOM 638 NE2 GLN A 43 23.497 5.360 2.630 1.00 3.20 N ATOM 0 H GLN A 43 19.068 4.575 0.043 1.00 22.33 H new ATOM 0 HA GLN A 43 18.913 2.328 1.853 1.00 52.13 H new ATOM 0 HB2 GLN A 43 21.263 2.555 1.986 1.00 45.11 H new ATOM 0 HB3 GLN A 43 20.864 2.959 0.328 1.00 45.11 H new ATOM 0 HG2 GLN A 43 22.083 4.820 0.628 1.00 2.04 H new ATOM 0 HG3 GLN A 43 20.736 5.429 1.569 1.00 2.04 H new ATOM 0 HE21 GLN A 43 23.734 5.811 1.747 1.00 3.20 H new ATOM 0 HE22 GLN A 43 24.132 5.429 3.425 1.00 3.20 H new ATOM 647 N ALA A 44 18.696 5.353 2.957 1.00 34.05 N ATOM 648 CA ALA A 44 18.481 6.173 4.143 1.00 20.35 C ATOM 649 C ALA A 44 17.109 5.906 4.754 1.00 3.41 C ATOM 650 O ALA A 44 16.844 6.281 5.897 1.00 64.13 O ATOM 651 CB ALA A 44 18.631 7.647 3.800 1.00 52.40 C ATOM 0 H ALA A 44 18.512 5.831 2.075 1.00 34.05 H new ATOM 0 HA ALA A 44 19.237 5.905 4.882 1.00 20.35 H new ATOM 0 HB1 ALA A 44 18.468 8.247 4.695 1.00 52.40 H new ATOM 0 HB2 ALA A 44 19.635 7.831 3.418 1.00 52.40 H new ATOM 0 HB3 ALA A 44 17.898 7.920 3.041 1.00 52.40 H new ATOM 657 N TYR A 45 16.241 5.259 3.986 1.00 73.42 N ATOM 658 CA TYR A 45 14.895 4.945 4.450 1.00 13.24 C ATOM 659 C TYR A 45 14.936 4.236 5.801 1.00 53.14 C ATOM 660 O TYR A 45 14.459 4.762 6.807 1.00 62.13 O ATOM 661 CB TYR A 45 14.169 4.072 3.425 1.00 10.32 C ATOM 662 CG TYR A 45 13.188 4.837 2.565 1.00 30.23 C ATOM 663 CD1 TYR A 45 12.216 5.647 3.138 1.00 12.14 C ATOM 664 CD2 TYR A 45 13.234 4.749 1.179 1.00 1.33 C ATOM 665 CE1 TYR A 45 11.317 6.347 2.357 1.00 61.55 C ATOM 666 CE2 TYR A 45 12.340 5.446 0.389 1.00 4.44 C ATOM 667 CZ TYR A 45 11.384 6.243 0.983 1.00 55.23 C ATOM 668 OH TYR A 45 10.491 6.940 0.200 1.00 20.53 O ATOM 0 H TYR A 45 16.445 4.941 3.038 1.00 73.42 H new ATOM 0 HA TYR A 45 14.351 5.882 4.568 1.00 13.24 H new ATOM 0 HB2 TYR A 45 14.906 3.592 2.781 1.00 10.32 H new ATOM 0 HB3 TYR A 45 13.638 3.277 3.948 1.00 10.32 H new ATOM 0 HD1 TYR A 45 12.162 5.731 4.213 1.00 12.14 H new ATOM 0 HD2 TYR A 45 13.981 4.125 0.711 1.00 1.33 H new ATOM 0 HE1 TYR A 45 10.567 6.972 2.819 1.00 61.55 H new ATOM 0 HE2 TYR A 45 12.390 5.367 -0.687 1.00 4.44 H new ATOM 0 HH TYR A 45 10.674 6.759 -0.746 1.00 20.53 H new ATOM 678 N LYS A 46 15.510 3.038 5.815 1.00 73.22 N ATOM 679 CA LYS A 46 15.617 2.255 7.040 1.00 75.50 C ATOM 680 C LYS A 46 16.295 0.915 6.772 1.00 61.00 C ATOM 681 O LYS A 46 17.403 0.664 7.244 1.00 30.11 O ATOM 682 CB LYS A 46 14.230 2.024 7.645 1.00 72.22 C ATOM 683 CG LYS A 46 14.111 2.485 9.087 1.00 53.51 C ATOM 684 CD LYS A 46 12.735 3.062 9.376 1.00 32.11 C ATOM 685 CE LYS A 46 12.639 3.588 10.800 1.00 40.11 C ATOM 686 NZ LYS A 46 11.226 3.797 11.220 1.00 33.43 N ATOM 0 H LYS A 46 15.909 2.588 4.991 1.00 73.22 H new ATOM 0 HA LYS A 46 16.227 2.816 7.748 1.00 75.50 H new ATOM 0 HB2 LYS A 46 13.488 2.548 7.042 1.00 72.22 H new ATOM 0 HB3 LYS A 46 13.992 0.962 7.591 1.00 72.22 H new ATOM 0 HG2 LYS A 46 14.302 1.645 9.755 1.00 53.51 H new ATOM 0 HG3 LYS A 46 14.873 3.237 9.294 1.00 53.51 H new ATOM 0 HD2 LYS A 46 12.523 3.868 8.674 1.00 32.11 H new ATOM 0 HD3 LYS A 46 11.977 2.295 9.219 1.00 32.11 H new ATOM 0 HE2 LYS A 46 13.120 2.885 11.480 1.00 40.11 H new ATOM 0 HE3 LYS A 46 13.184 4.529 10.877 1.00 40.11 H new ATOM 0 HZ1 LYS A 46 11.203 4.156 12.196 1.00 33.43 H new ATOM 0 HZ2 LYS A 46 10.774 4.487 10.587 1.00 33.43 H new ATOM 0 HZ3 LYS A 46 10.712 2.894 11.171 1.00 33.43 H new ATOM 700 N GLY A 47 15.623 0.058 6.009 1.00 33.04 N ATOM 701 CA GLY A 47 16.177 -1.245 5.691 1.00 44.32 C ATOM 702 C GLY A 47 15.789 -2.304 6.703 1.00 15.32 C ATOM 703 O GLY A 47 15.346 -3.392 6.336 1.00 62.43 O ATOM 0 H GLY A 47 14.705 0.243 5.605 1.00 33.04 H new ATOM 0 HA2 GLY A 47 15.835 -1.550 4.702 1.00 44.32 H new ATOM 0 HA3 GLY A 47 17.264 -1.173 5.644 1.00 44.32 H new ATOM 707 N LYS A 48 15.955 -1.986 7.983 1.00 73.24 N ATOM 708 CA LYS A 48 15.619 -2.918 9.053 1.00 73.04 C ATOM 709 C LYS A 48 14.138 -3.282 9.012 1.00 51.10 C ATOM 710 O LYS A 48 13.770 -4.379 8.595 1.00 33.33 O ATOM 711 CB LYS A 48 15.969 -2.312 10.413 1.00 14.24 C ATOM 712 CG LYS A 48 17.369 -2.656 10.891 1.00 72.22 C ATOM 713 CD LYS A 48 18.145 -1.411 11.286 1.00 22.31 C ATOM 714 CE LYS A 48 17.999 -1.111 12.770 1.00 52.11 C ATOM 715 NZ LYS A 48 16.942 -0.094 13.028 1.00 32.24 N ATOM 0 H LYS A 48 16.320 -1.090 8.304 1.00 73.24 H new ATOM 0 HA LYS A 48 16.203 -3.827 8.906 1.00 73.04 H new ATOM 0 HB2 LYS A 48 15.870 -1.228 10.354 1.00 14.24 H new ATOM 0 HB3 LYS A 48 15.247 -2.658 11.152 1.00 14.24 H new ATOM 0 HG2 LYS A 48 17.307 -3.333 11.743 1.00 72.22 H new ATOM 0 HG3 LYS A 48 17.904 -3.184 10.102 1.00 72.22 H new ATOM 0 HD2 LYS A 48 19.199 -1.545 11.043 1.00 22.31 H new ATOM 0 HD3 LYS A 48 17.790 -0.560 10.705 1.00 22.31 H new ATOM 0 HE2 LYS A 48 17.757 -2.030 13.304 1.00 52.11 H new ATOM 0 HE3 LYS A 48 18.951 -0.754 13.164 1.00 52.11 H new ATOM 0 HZ1 LYS A 48 16.873 0.083 14.050 1.00 32.24 H new ATOM 0 HZ2 LYS A 48 17.185 0.791 12.539 1.00 32.24 H new ATOM 0 HZ3 LYS A 48 16.029 -0.445 12.675 1.00 32.24 H new ATOM 729 N GLY A 49 13.292 -2.352 9.447 1.00 63.35 N ATOM 730 CA GLY A 49 11.861 -2.594 9.450 1.00 64.41 C ATOM 731 C GLY A 49 11.298 -2.759 8.052 1.00 11.53 C ATOM 732 O GLY A 49 10.321 -3.478 7.851 1.00 54.13 O ATOM 0 H GLY A 49 13.572 -1.436 9.797 1.00 63.35 H new ATOM 0 HA2 GLY A 49 11.648 -3.491 10.032 1.00 64.41 H new ATOM 0 HA3 GLY A 49 11.356 -1.765 9.946 1.00 64.41 H new ATOM 736 N ASN A 50 11.915 -2.088 7.085 1.00 72.13 N ATOM 737 CA ASN A 50 11.467 -2.161 5.699 1.00 61.44 C ATOM 738 C ASN A 50 12.571 -2.709 4.799 1.00 53.34 C ATOM 739 O ASN A 50 13.242 -1.970 4.078 1.00 52.22 O ATOM 740 CB ASN A 50 11.032 -0.779 5.208 1.00 72.23 C ATOM 741 CG ASN A 50 11.834 0.339 5.844 1.00 43.43 C ATOM 742 OD1 ASN A 50 12.978 0.592 5.463 1.00 34.04 O ATOM 743 ND2 ASN A 50 11.237 1.016 6.818 1.00 21.21 N ATOM 0 H ASN A 50 12.726 -1.488 7.235 1.00 72.13 H new ATOM 0 HA ASN A 50 10.615 -2.840 5.654 1.00 61.44 H new ATOM 0 HB2 ASN A 50 11.142 -0.730 4.125 1.00 72.23 H new ATOM 0 HB3 ASN A 50 9.974 -0.634 5.428 1.00 72.23 H new ATOM 0 HD21 ASN A 50 11.727 1.780 7.283 1.00 21.21 H new ATOM 0 HD22 ASN A 50 10.288 0.772 7.101 1.00 21.21 H new ATOM 750 N PRO A 51 12.764 -4.035 4.840 1.00 61.45 N ATOM 751 CA PRO A 51 13.785 -4.712 4.033 1.00 15.23 C ATOM 752 C PRO A 51 13.445 -4.708 2.547 1.00 71.53 C ATOM 753 O PRO A 51 14.297 -4.994 1.706 1.00 1.41 O ATOM 754 CB PRO A 51 13.778 -6.142 4.580 1.00 2.40 C ATOM 755 CG PRO A 51 12.413 -6.324 5.148 1.00 2.23 C ATOM 756 CD PRO A 51 12.001 -4.977 5.676 1.00 60.24 C ATOM 0 HA PRO A 51 14.754 -4.219 4.104 1.00 15.23 H new ATOM 0 HB2 PRO A 51 13.979 -6.868 3.792 1.00 2.40 H new ATOM 0 HB3 PRO A 51 14.545 -6.278 5.342 1.00 2.40 H new ATOM 0 HG2 PRO A 51 11.717 -6.674 4.386 1.00 2.23 H new ATOM 0 HG3 PRO A 51 12.417 -7.070 5.943 1.00 2.23 H new ATOM 0 HD2 PRO A 51 10.927 -4.820 5.581 1.00 60.24 H new ATOM 0 HD3 PRO A 51 12.247 -4.867 6.732 1.00 60.24 H new ATOM 764 N GLU A 52 12.195 -4.384 2.230 1.00 2.35 N ATOM 765 CA GLU A 52 11.744 -4.344 0.844 1.00 25.03 C ATOM 766 C GLU A 52 12.665 -3.470 -0.002 1.00 63.15 C ATOM 767 O GLU A 52 12.880 -3.738 -1.185 1.00 15.21 O ATOM 768 CB GLU A 52 10.310 -3.818 0.766 1.00 12.31 C ATOM 769 CG GLU A 52 10.124 -2.458 1.418 1.00 50.10 C ATOM 770 CD GLU A 52 8.725 -2.262 1.970 1.00 42.33 C ATOM 771 OE1 GLU A 52 8.242 -3.158 2.693 1.00 62.33 O ATOM 772 OE2 GLU A 52 8.114 -1.213 1.679 1.00 53.33 O ATOM 0 H GLU A 52 11.477 -4.146 2.914 1.00 2.35 H new ATOM 0 HA GLU A 52 11.772 -5.360 0.450 1.00 25.03 H new ATOM 0 HB2 GLU A 52 10.012 -3.754 -0.281 1.00 12.31 H new ATOM 0 HB3 GLU A 52 9.642 -4.535 1.244 1.00 12.31 H new ATOM 0 HG2 GLU A 52 10.848 -2.344 2.225 1.00 50.10 H new ATOM 0 HG3 GLU A 52 10.335 -1.677 0.687 1.00 50.10 H new ATOM 779 N VAL A 53 13.207 -2.423 0.612 1.00 42.04 N ATOM 780 CA VAL A 53 14.105 -1.509 -0.084 1.00 63.23 C ATOM 781 C VAL A 53 15.323 -2.246 -0.631 1.00 1.41 C ATOM 782 O VAL A 53 15.985 -1.770 -1.553 1.00 24.34 O ATOM 783 CB VAL A 53 14.579 -0.374 0.842 1.00 11.43 C ATOM 784 CG1 VAL A 53 15.460 0.605 0.081 1.00 71.13 C ATOM 785 CG2 VAL A 53 13.387 0.340 1.462 1.00 51.12 C ATOM 0 H VAL A 53 13.040 -2.187 1.590 1.00 42.04 H new ATOM 0 HA VAL A 53 13.541 -1.080 -0.912 1.00 63.23 H new ATOM 0 HB VAL A 53 15.172 -0.809 1.646 1.00 11.43 H new ATOM 0 HG11 VAL A 53 15.785 1.400 0.752 1.00 71.13 H new ATOM 0 HG12 VAL A 53 16.332 0.081 -0.310 1.00 71.13 H new ATOM 0 HG13 VAL A 53 14.895 1.036 -0.745 1.00 71.13 H new ATOM 0 HG21 VAL A 53 13.740 1.139 2.114 1.00 51.12 H new ATOM 0 HG22 VAL A 53 12.766 0.763 0.673 1.00 51.12 H new ATOM 0 HG23 VAL A 53 12.800 -0.370 2.044 1.00 51.12 H new ATOM 795 N GLU A 54 15.612 -3.409 -0.056 1.00 73.02 N ATOM 796 CA GLU A 54 16.751 -4.211 -0.486 1.00 70.15 C ATOM 797 C GLU A 54 16.723 -4.430 -1.996 1.00 51.14 C ATOM 798 O GLU A 54 17.763 -4.421 -2.655 1.00 35.41 O ATOM 799 CB GLU A 54 16.755 -5.560 0.235 1.00 31.24 C ATOM 800 CG GLU A 54 15.703 -6.528 -0.278 1.00 75.41 C ATOM 801 CD GLU A 54 15.501 -7.715 0.645 1.00 43.32 C ATOM 802 OE1 GLU A 54 16.477 -8.122 1.309 1.00 34.25 O ATOM 803 OE2 GLU A 54 14.367 -8.235 0.702 1.00 24.21 O ATOM 0 H GLU A 54 15.073 -3.817 0.708 1.00 73.02 H new ATOM 0 HA GLU A 54 17.661 -3.668 -0.231 1.00 70.15 H new ATOM 0 HB2 GLU A 54 17.739 -6.016 0.128 1.00 31.24 H new ATOM 0 HB3 GLU A 54 16.595 -5.393 1.300 1.00 31.24 H new ATOM 0 HG2 GLU A 54 14.757 -6.000 -0.397 1.00 75.41 H new ATOM 0 HG3 GLU A 54 15.995 -6.886 -1.265 1.00 75.41 H new ATOM 810 N ALA A 55 15.525 -4.626 -2.538 1.00 22.53 N ATOM 811 CA ALA A 55 15.361 -4.846 -3.969 1.00 74.23 C ATOM 812 C ALA A 55 15.720 -3.594 -4.762 1.00 23.02 C ATOM 813 O ALA A 55 16.531 -3.644 -5.688 1.00 20.42 O ATOM 814 CB ALA A 55 13.934 -5.276 -4.277 1.00 13.14 C ATOM 0 H ALA A 55 14.654 -4.637 -2.007 1.00 22.53 H new ATOM 0 HA ALA A 55 16.042 -5.642 -4.269 1.00 74.23 H new ATOM 0 HB1 ALA A 55 13.826 -5.437 -5.350 1.00 13.14 H new ATOM 0 HB2 ALA A 55 13.711 -6.202 -3.747 1.00 13.14 H new ATOM 0 HB3 ALA A 55 13.242 -4.498 -3.955 1.00 13.14 H new ATOM 820 N LEU A 56 15.113 -2.472 -4.394 1.00 15.35 N ATOM 821 CA LEU A 56 15.368 -1.205 -5.071 1.00 24.30 C ATOM 822 C LEU A 56 16.851 -0.851 -5.022 1.00 23.41 C ATOM 823 O LEU A 56 17.430 -0.422 -6.020 1.00 4.33 O ATOM 824 CB LEU A 56 14.544 -0.087 -4.432 1.00 0.44 C ATOM 825 CG LEU A 56 13.471 0.547 -5.318 1.00 45.40 C ATOM 826 CD1 LEU A 56 12.605 -0.526 -5.958 1.00 62.04 C ATOM 827 CD2 LEU A 56 12.617 1.515 -4.512 1.00 73.40 C ATOM 0 H LEU A 56 14.440 -2.413 -3.630 1.00 15.35 H new ATOM 0 HA LEU A 56 15.073 -1.313 -6.115 1.00 24.30 H new ATOM 0 HB2 LEU A 56 14.061 -0.484 -3.539 1.00 0.44 H new ATOM 0 HB3 LEU A 56 15.226 0.698 -4.104 1.00 0.44 H new ATOM 0 HG LEU A 56 13.966 1.106 -6.112 1.00 45.40 H new ATOM 0 HD11 LEU A 56 11.847 -0.056 -6.585 1.00 62.04 H new ATOM 0 HD12 LEU A 56 13.228 -1.179 -6.569 1.00 62.04 H new ATOM 0 HD13 LEU A 56 12.118 -1.113 -5.179 1.00 62.04 H new ATOM 0 HD21 LEU A 56 11.859 1.957 -5.159 1.00 73.40 H new ATOM 0 HD22 LEU A 56 12.131 0.979 -3.697 1.00 73.40 H new ATOM 0 HD23 LEU A 56 13.249 2.303 -4.103 1.00 73.40 H new ATOM 839 N ARG A 57 17.460 -1.037 -3.855 1.00 44.03 N ATOM 840 CA ARG A 57 18.876 -0.738 -3.677 1.00 21.35 C ATOM 841 C ARG A 57 19.736 -1.619 -4.579 1.00 33.14 C ATOM 842 O ARG A 57 20.681 -1.145 -5.210 1.00 32.24 O ATOM 843 CB ARG A 57 19.281 -0.938 -2.215 1.00 32.41 C ATOM 844 CG ARG A 57 20.781 -0.859 -1.982 1.00 33.12 C ATOM 845 CD ARG A 57 21.427 -2.234 -2.042 1.00 63.14 C ATOM 846 NE ARG A 57 22.677 -2.219 -2.798 1.00 53.45 N ATOM 847 CZ ARG A 57 23.821 -1.745 -2.317 1.00 71.45 C ATOM 848 NH1 ARG A 57 23.873 -1.252 -1.088 1.00 45.00 N ATOM 849 NH2 ARG A 57 24.916 -1.766 -3.067 1.00 11.23 N ATOM 0 H ARG A 57 16.995 -1.393 -3.020 1.00 44.03 H new ATOM 0 HA ARG A 57 19.039 0.304 -3.954 1.00 21.35 H new ATOM 0 HB2 ARG A 57 18.787 -0.183 -1.603 1.00 32.41 H new ATOM 0 HB3 ARG A 57 18.920 -1.909 -1.876 1.00 32.41 H new ATOM 0 HG2 ARG A 57 21.233 -0.210 -2.732 1.00 33.12 H new ATOM 0 HG3 ARG A 57 20.976 -0.406 -1.010 1.00 33.12 H new ATOM 0 HD2 ARG A 57 21.620 -2.588 -1.029 1.00 63.14 H new ATOM 0 HD3 ARG A 57 20.735 -2.940 -2.500 1.00 63.14 H new ATOM 0 HE ARG A 57 22.671 -2.593 -3.747 1.00 53.45 H new ATOM 0 HH11 ARG A 57 23.033 -1.236 -0.509 1.00 45.00 H new ATOM 0 HH12 ARG A 57 24.753 -0.889 -0.721 1.00 45.00 H new ATOM 0 HH21 ARG A 57 24.879 -2.146 -4.013 1.00 11.23 H new ATOM 0 HH22 ARG A 57 25.794 -1.402 -2.698 1.00 11.23 H new ATOM 863 N LYS A 58 19.402 -2.904 -4.634 1.00 53.14 N ATOM 864 CA LYS A 58 20.141 -3.852 -5.459 1.00 62.11 C ATOM 865 C LYS A 58 20.122 -3.429 -6.924 1.00 61.25 C ATOM 866 O LYS A 58 21.171 -3.287 -7.552 1.00 11.21 O ATOM 867 CB LYS A 58 19.549 -5.256 -5.315 1.00 13.35 C ATOM 868 CG LYS A 58 20.511 -6.263 -4.710 1.00 4.11 C ATOM 869 CD LYS A 58 21.020 -7.244 -5.753 1.00 2.30 C ATOM 870 CE LYS A 58 22.096 -8.156 -5.183 1.00 12.51 C ATOM 871 NZ LYS A 58 22.230 -9.414 -5.968 1.00 14.20 N ATOM 0 H LYS A 58 18.624 -3.313 -4.117 1.00 53.14 H new ATOM 0 HA LYS A 58 21.175 -3.864 -5.116 1.00 62.11 H new ATOM 0 HB2 LYS A 58 18.655 -5.202 -4.694 1.00 13.35 H new ATOM 0 HB3 LYS A 58 19.235 -5.611 -6.296 1.00 13.35 H new ATOM 0 HG2 LYS A 58 21.354 -5.738 -4.261 1.00 4.11 H new ATOM 0 HG3 LYS A 58 20.012 -6.808 -3.909 1.00 4.11 H new ATOM 0 HD2 LYS A 58 20.190 -7.846 -6.123 1.00 2.30 H new ATOM 0 HD3 LYS A 58 21.421 -6.695 -6.605 1.00 2.30 H new ATOM 0 HE2 LYS A 58 23.051 -7.630 -5.174 1.00 12.51 H new ATOM 0 HE3 LYS A 58 21.856 -8.398 -4.148 1.00 12.51 H new ATOM 0 HZ1 LYS A 58 22.973 -10.008 -5.548 1.00 14.20 H new ATOM 0 HZ2 LYS A 58 21.327 -9.929 -5.955 1.00 14.20 H new ATOM 0 HZ3 LYS A 58 22.484 -9.185 -6.950 1.00 14.20 H new ATOM 885 N GLU A 59 18.923 -3.229 -7.462 1.00 50.15 N ATOM 886 CA GLU A 59 18.769 -2.821 -8.854 1.00 63.51 C ATOM 887 C GLU A 59 19.574 -1.557 -9.143 1.00 33.31 C ATOM 888 O GLU A 59 20.356 -1.510 -10.091 1.00 65.23 O ATOM 889 CB GLU A 59 17.293 -2.585 -9.179 1.00 71.24 C ATOM 890 CG GLU A 59 16.583 -3.817 -9.717 1.00 45.30 C ATOM 891 CD GLU A 59 17.264 -4.393 -10.943 1.00 63.50 C ATOM 892 OE1 GLU A 59 18.082 -3.678 -11.559 1.00 14.41 O ATOM 893 OE2 GLU A 59 16.980 -5.560 -11.287 1.00 0.33 O ATOM 0 H GLU A 59 18.045 -3.343 -6.956 1.00 50.15 H new ATOM 0 HA GLU A 59 19.148 -3.624 -9.485 1.00 63.51 H new ATOM 0 HB2 GLU A 59 16.781 -2.245 -8.279 1.00 71.24 H new ATOM 0 HB3 GLU A 59 17.215 -1.782 -9.912 1.00 71.24 H new ATOM 0 HG2 GLU A 59 16.542 -4.578 -8.937 1.00 45.30 H new ATOM 0 HG3 GLU A 59 15.553 -3.559 -9.965 1.00 45.30 H new ATOM 900 N ALA A 60 19.374 -0.535 -8.318 1.00 53.52 N ATOM 901 CA ALA A 60 20.081 0.729 -8.483 1.00 54.54 C ATOM 902 C ALA A 60 21.585 0.506 -8.597 1.00 52.45 C ATOM 903 O ALA A 60 22.224 0.986 -9.533 1.00 53.53 O ATOM 904 CB ALA A 60 19.770 1.663 -7.323 1.00 1.40 C ATOM 0 H ALA A 60 18.728 -0.557 -7.529 1.00 53.52 H new ATOM 0 HA ALA A 60 19.738 1.191 -9.409 1.00 54.54 H new ATOM 0 HB1 ALA A 60 20.305 2.603 -7.459 1.00 1.40 H new ATOM 0 HB2 ALA A 60 18.698 1.857 -7.289 1.00 1.40 H new ATOM 0 HB3 ALA A 60 20.084 1.199 -6.388 1.00 1.40 H new ATOM 910 N ALA A 61 22.144 -0.224 -7.639 1.00 24.23 N ATOM 911 CA ALA A 61 23.573 -0.512 -7.633 1.00 4.41 C ATOM 912 C ALA A 61 24.011 -1.145 -8.949 1.00 43.12 C ATOM 913 O ALA A 61 25.032 -0.765 -9.522 1.00 61.30 O ATOM 914 CB ALA A 61 23.924 -1.421 -6.465 1.00 30.42 C ATOM 0 H ALA A 61 21.629 -0.627 -6.856 1.00 24.23 H new ATOM 0 HA ALA A 61 24.108 0.431 -7.518 1.00 4.41 H new ATOM 0 HB1 ALA A 61 24.994 -1.627 -6.473 1.00 30.42 H new ATOM 0 HB2 ALA A 61 23.656 -0.931 -5.529 1.00 30.42 H new ATOM 0 HB3 ALA A 61 23.373 -2.357 -6.554 1.00 30.42 H new ATOM 920 N ALA A 62 23.233 -2.112 -9.423 1.00 21.42 N ATOM 921 CA ALA A 62 23.540 -2.797 -10.672 1.00 64.33 C ATOM 922 C ALA A 62 23.626 -1.811 -11.832 1.00 62.02 C ATOM 923 O ALA A 62 24.565 -1.855 -12.628 1.00 54.02 O ATOM 924 CB ALA A 62 22.495 -3.864 -10.960 1.00 73.24 C ATOM 0 H ALA A 62 22.385 -2.439 -8.960 1.00 21.42 H new ATOM 0 HA ALA A 62 24.513 -3.277 -10.565 1.00 64.33 H new ATOM 0 HB1 ALA A 62 22.737 -4.367 -11.896 1.00 73.24 H new ATOM 0 HB2 ALA A 62 22.485 -4.592 -10.149 1.00 73.24 H new ATOM 0 HB3 ALA A 62 21.513 -3.399 -11.042 1.00 73.24 H new ATOM 930 N ILE A 63 22.642 -0.923 -11.922 1.00 35.40 N ATOM 931 CA ILE A 63 22.607 0.073 -12.985 1.00 10.52 C ATOM 932 C ILE A 63 23.846 0.962 -12.946 1.00 14.05 C ATOM 933 O ILE A 63 24.456 1.240 -13.978 1.00 73.11 O ATOM 934 CB ILE A 63 21.351 0.959 -12.886 1.00 34.33 C ATOM 935 CG1 ILE A 63 20.087 0.098 -12.954 1.00 2.25 C ATOM 936 CG2 ILE A 63 21.348 2.001 -13.994 1.00 23.00 C ATOM 937 CD1 ILE A 63 19.027 0.502 -11.953 1.00 30.42 C ATOM 0 H ILE A 63 21.858 -0.873 -11.271 1.00 35.40 H new ATOM 0 HA ILE A 63 22.583 -0.473 -13.928 1.00 10.52 H new ATOM 0 HB ILE A 63 21.365 1.477 -11.927 1.00 34.33 H new ATOM 0 HG12 ILE A 63 19.669 0.159 -13.959 1.00 2.25 H new ATOM 0 HG13 ILE A 63 20.357 -0.944 -12.784 1.00 2.25 H new ATOM 0 HG21 ILE A 63 20.454 2.619 -13.910 1.00 23.00 H new ATOM 0 HG22 ILE A 63 22.234 2.630 -13.904 1.00 23.00 H new ATOM 0 HG23 ILE A 63 21.354 1.502 -14.963 1.00 23.00 H new ATOM 0 HD11 ILE A 63 18.160 -0.150 -12.058 1.00 30.42 H new ATOM 0 HD12 ILE A 63 19.428 0.414 -10.943 1.00 30.42 H new ATOM 0 HD13 ILE A 63 18.728 1.534 -12.136 1.00 30.42 H new ATOM 949 N ARG A 64 24.213 1.404 -11.747 1.00 34.51 N ATOM 950 CA ARG A 64 25.379 2.260 -11.573 1.00 3.34 C ATOM 951 C ARG A 64 26.641 1.572 -12.086 1.00 54.34 C ATOM 952 O ARG A 64 27.430 2.168 -12.819 1.00 43.41 O ATOM 953 CB ARG A 64 25.552 2.630 -10.098 1.00 75.41 C ATOM 954 CG ARG A 64 26.559 3.743 -9.863 1.00 14.51 C ATOM 955 CD ARG A 64 27.037 3.767 -8.419 1.00 73.45 C ATOM 956 NE ARG A 64 27.699 5.024 -8.082 1.00 64.35 N ATOM 957 CZ ARG A 64 28.269 5.262 -6.906 1.00 71.13 C ATOM 958 NH1 ARG A 64 28.257 4.333 -5.960 1.00 11.30 N ATOM 959 NH2 ARG A 64 28.852 6.431 -6.675 1.00 25.10 N ATOM 0 H ARG A 64 23.719 1.183 -10.882 1.00 34.51 H new ATOM 0 HA ARG A 64 25.220 3.169 -12.153 1.00 3.34 H new ATOM 0 HB2 ARG A 64 24.587 2.934 -9.693 1.00 75.41 H new ATOM 0 HB3 ARG A 64 25.866 1.745 -9.545 1.00 75.41 H new ATOM 0 HG2 ARG A 64 27.412 3.609 -10.528 1.00 14.51 H new ATOM 0 HG3 ARG A 64 26.107 4.703 -10.114 1.00 14.51 H new ATOM 0 HD2 ARG A 64 26.187 3.615 -7.753 1.00 73.45 H new ATOM 0 HD3 ARG A 64 27.725 2.939 -8.251 1.00 73.45 H new ATOM 0 HE ARG A 64 27.725 5.760 -8.788 1.00 64.35 H new ATOM 0 HH11 ARG A 64 27.809 3.433 -6.134 1.00 11.30 H new ATOM 0 HH12 ARG A 64 28.695 4.518 -5.058 1.00 11.30 H new ATOM 0 HH21 ARG A 64 28.863 7.148 -7.401 1.00 25.10 H new ATOM 0 HH22 ARG A 64 29.289 6.613 -5.772 1.00 25.10 H new ATOM 973 N ASP A 65 26.823 0.316 -11.697 1.00 21.52 N ATOM 974 CA ASP A 65 27.988 -0.454 -12.118 1.00 70.11 C ATOM 975 C ASP A 65 28.058 -0.546 -13.639 1.00 55.33 C ATOM 976 O ASP A 65 29.121 -0.368 -14.233 1.00 14.22 O ATOM 977 CB ASP A 65 27.945 -1.858 -11.512 1.00 1.43 C ATOM 978 CG ASP A 65 28.216 -1.852 -10.020 1.00 63.31 C ATOM 979 OD1 ASP A 65 29.190 -1.195 -9.596 1.00 40.10 O ATOM 980 OD2 ASP A 65 27.454 -2.505 -9.277 1.00 4.33 O ATOM 0 H ASP A 65 26.179 -0.192 -11.090 1.00 21.52 H new ATOM 0 HA ASP A 65 28.880 0.060 -11.761 1.00 70.11 H new ATOM 0 HB2 ASP A 65 26.967 -2.302 -11.699 1.00 1.43 H new ATOM 0 HB3 ASP A 65 28.682 -2.488 -12.010 1.00 1.43 H new ATOM 985 N GLU A 66 26.917 -0.826 -14.263 1.00 44.51 N ATOM 986 CA GLU A 66 26.851 -0.943 -15.715 1.00 54.40 C ATOM 987 C GLU A 66 27.275 0.361 -16.386 1.00 70.40 C ATOM 988 O GLU A 66 28.059 0.355 -17.336 1.00 1.43 O ATOM 989 CB GLU A 66 25.434 -1.317 -16.154 1.00 75.30 C ATOM 990 CG GLU A 66 24.900 -2.572 -15.483 1.00 42.11 C ATOM 991 CD GLU A 66 23.420 -2.481 -15.169 1.00 15.01 C ATOM 992 OE1 GLU A 66 22.715 -1.708 -15.851 1.00 43.45 O ATOM 993 OE2 GLU A 66 22.965 -3.182 -14.241 1.00 61.21 O ATOM 0 H GLU A 66 26.028 -0.976 -13.786 1.00 44.51 H new ATOM 0 HA GLU A 66 27.539 -1.730 -16.022 1.00 54.40 H new ATOM 0 HB2 GLU A 66 24.764 -0.485 -15.936 1.00 75.30 H new ATOM 0 HB3 GLU A 66 25.423 -1.460 -17.234 1.00 75.30 H new ATOM 0 HG2 GLU A 66 25.078 -3.430 -16.132 1.00 42.11 H new ATOM 0 HG3 GLU A 66 25.453 -2.750 -14.561 1.00 42.11 H new ATOM 1000 N CYS A 67 26.751 1.474 -15.886 1.00 41.11 N ATOM 1001 CA CYS A 67 27.074 2.785 -16.437 1.00 52.54 C ATOM 1002 C CYS A 67 28.576 3.044 -16.381 1.00 52.22 C ATOM 1003 O CYS A 67 29.166 3.536 -17.342 1.00 43.42 O ATOM 1004 CB CYS A 67 26.327 3.880 -15.675 1.00 15.33 C ATOM 1005 SG CYS A 67 24.535 3.858 -15.918 1.00 50.20 S ATOM 0 H CYS A 67 26.101 1.495 -15.100 1.00 41.11 H new ATOM 0 HA CYS A 67 26.760 2.800 -17.481 1.00 52.54 H new ATOM 0 HB2 CYS A 67 26.540 3.777 -14.611 1.00 15.33 H new ATOM 0 HB3 CYS A 67 26.713 4.851 -15.985 1.00 15.33 H new ATOM 0 HG CYS A 67 24.017 2.878 -15.239 1.00 50.20 H new ATOM 1011 N GLN A 68 29.187 2.711 -15.249 1.00 34.51 N ATOM 1012 CA GLN A 68 30.620 2.909 -15.067 1.00 54.31 C ATOM 1013 C GLN A 68 31.418 1.978 -15.973 1.00 73.14 C ATOM 1014 O GLN A 68 32.518 2.313 -16.409 1.00 44.45 O ATOM 1015 CB GLN A 68 31.007 2.674 -13.606 1.00 42.31 C ATOM 1016 CG GLN A 68 30.073 3.347 -12.613 1.00 62.01 C ATOM 1017 CD GLN A 68 30.808 4.246 -11.638 1.00 74.01 C ATOM 1018 OE1 GLN A 68 30.836 3.984 -10.435 1.00 42.32 O ATOM 1019 NE2 GLN A 68 31.407 5.313 -12.153 1.00 1.23 N ATOM 0 H GLN A 68 28.712 2.303 -14.444 1.00 34.51 H new ATOM 0 HA GLN A 68 30.856 3.938 -15.337 1.00 54.31 H new ATOM 0 HB2 GLN A 68 31.020 1.602 -13.410 1.00 42.31 H new ATOM 0 HB3 GLN A 68 32.021 3.040 -13.444 1.00 42.31 H new ATOM 0 HG2 GLN A 68 29.333 3.935 -13.157 1.00 62.01 H new ATOM 0 HG3 GLN A 68 29.528 2.584 -12.058 1.00 62.01 H new ATOM 0 HE21 GLN A 68 31.358 5.491 -13.156 1.00 1.23 H new ATOM 0 HE22 GLN A 68 31.916 5.955 -11.546 1.00 1.23 H new ATOM 1028 N ALA A 69 30.855 0.807 -16.253 1.00 21.35 N ATOM 1029 CA ALA A 69 31.514 -0.172 -17.108 1.00 73.53 C ATOM 1030 C ALA A 69 31.364 0.196 -18.580 1.00 41.33 C ATOM 1031 O ALA A 69 31.987 -0.414 -19.450 1.00 31.14 O ATOM 1032 CB ALA A 69 30.951 -1.562 -16.850 1.00 75.24 C ATOM 0 H ALA A 69 29.944 0.514 -15.900 1.00 21.35 H new ATOM 0 HA ALA A 69 32.577 -0.172 -16.866 1.00 73.53 H new ATOM 0 HB1 ALA A 69 31.452 -2.283 -17.495 1.00 75.24 H new ATOM 0 HB2 ALA A 69 31.115 -1.833 -15.807 1.00 75.24 H new ATOM 0 HB3 ALA A 69 29.882 -1.567 -17.062 1.00 75.24 H new ATOM 1038 N TYR A 70 30.535 1.197 -18.853 1.00 53.22 N ATOM 1039 CA TYR A 70 30.301 1.645 -20.221 1.00 60.00 C ATOM 1040 C TYR A 70 31.168 2.855 -20.554 1.00 3.23 C ATOM 1041 O TYR A 70 31.678 2.980 -21.667 1.00 44.12 O ATOM 1042 CB TYR A 70 28.825 1.991 -20.422 1.00 34.05 C ATOM 1043 CG TYR A 70 27.893 0.820 -20.205 1.00 24.32 C ATOM 1044 CD1 TYR A 70 28.298 -0.477 -20.496 1.00 73.51 C ATOM 1045 CD2 TYR A 70 26.609 1.010 -19.710 1.00 22.11 C ATOM 1046 CE1 TYR A 70 27.450 -1.551 -20.300 1.00 41.34 C ATOM 1047 CE2 TYR A 70 25.755 -0.057 -19.510 1.00 25.54 C ATOM 1048 CZ TYR A 70 26.180 -1.336 -19.807 1.00 3.35 C ATOM 1049 OH TYR A 70 25.332 -2.401 -19.610 1.00 24.52 O ATOM 0 H TYR A 70 30.013 1.714 -18.145 1.00 53.22 H new ATOM 0 HA TYR A 70 30.571 0.831 -20.893 1.00 60.00 H new ATOM 0 HB2 TYR A 70 28.552 2.793 -19.737 1.00 34.05 H new ATOM 0 HB3 TYR A 70 28.685 2.374 -21.433 1.00 34.05 H new ATOM 0 HD1 TYR A 70 29.292 -0.649 -20.882 1.00 73.51 H new ATOM 0 HD2 TYR A 70 26.273 2.010 -19.477 1.00 22.11 H new ATOM 0 HE1 TYR A 70 27.780 -2.553 -20.532 1.00 41.34 H new ATOM 0 HE2 TYR A 70 24.760 0.109 -19.123 1.00 25.54 H new ATOM 0 HH TYR A 70 24.477 -2.077 -19.257 1.00 24.52 H new ATOM 1059 N ARG A 71 31.331 3.744 -19.579 1.00 41.12 N ATOM 1060 CA ARG A 71 32.136 4.945 -19.767 1.00 52.12 C ATOM 1061 C ARG A 71 33.030 5.195 -18.556 1.00 42.34 C ATOM 1062 O ARG A 71 33.118 6.318 -18.057 1.00 72.34 O ATOM 1063 CB ARG A 71 31.233 6.157 -20.007 1.00 65.12 C ATOM 1064 CG ARG A 71 30.235 6.404 -18.888 1.00 72.23 C ATOM 1065 CD ARG A 71 30.438 7.770 -18.252 1.00 31.23 C ATOM 1066 NE ARG A 71 29.962 7.807 -16.872 1.00 31.35 N ATOM 1067 CZ ARG A 71 29.893 8.918 -16.147 1.00 52.24 C ATOM 1068 NH1 ARG A 71 30.267 10.078 -16.670 1.00 34.01 N ATOM 1069 NH2 ARG A 71 29.448 8.871 -14.898 1.00 25.10 N ATOM 0 H ARG A 71 30.916 3.655 -18.651 1.00 41.12 H new ATOM 0 HA ARG A 71 32.770 4.794 -20.640 1.00 52.12 H new ATOM 0 HB2 ARG A 71 31.855 7.044 -20.130 1.00 65.12 H new ATOM 0 HB3 ARG A 71 30.690 6.016 -20.942 1.00 65.12 H new ATOM 0 HG2 ARG A 71 29.221 6.332 -19.281 1.00 72.23 H new ATOM 0 HG3 ARG A 71 30.339 5.629 -18.129 1.00 72.23 H new ATOM 0 HD2 ARG A 71 31.497 8.028 -18.277 1.00 31.23 H new ATOM 0 HD3 ARG A 71 29.912 8.524 -18.837 1.00 31.23 H new ATOM 0 HE ARG A 71 29.666 6.931 -16.441 1.00 31.35 H new ATOM 0 HH11 ARG A 71 30.608 10.118 -17.630 1.00 34.01 H new ATOM 0 HH12 ARG A 71 30.213 10.930 -16.112 1.00 34.01 H new ATOM 0 HH21 ARG A 71 29.158 7.981 -14.493 1.00 25.10 H new ATOM 0 HH22 ARG A 71 29.396 9.725 -14.343 1.00 25.10 H new ATOM 1083 N HIS A 72 33.692 4.142 -18.088 1.00 63.14 N ATOM 1084 CA HIS A 72 34.580 4.247 -16.936 1.00 42.30 C ATOM 1085 C HIS A 72 35.214 2.897 -16.613 1.00 53.41 C ATOM 1086 O HIS A 72 35.442 2.571 -15.449 1.00 63.13 O ATOM 1087 CB HIS A 72 33.813 4.767 -15.720 1.00 52.52 C ATOM 1088 CG HIS A 72 34.539 5.840 -14.967 1.00 72.44 C ATOM 1089 ND1 HIS A 72 34.513 7.168 -15.337 1.00 64.21 N ATOM 1090 CD2 HIS A 72 35.312 5.774 -13.859 1.00 23.04 C ATOM 1091 CE1 HIS A 72 35.241 7.872 -14.489 1.00 43.54 C ATOM 1092 NE2 HIS A 72 35.737 7.050 -13.582 1.00 51.31 N ATOM 0 H HIS A 72 33.630 3.206 -18.489 1.00 63.14 H new ATOM 0 HA HIS A 72 35.374 4.951 -17.184 1.00 42.30 H new ATOM 0 HB2 HIS A 72 32.848 5.154 -16.048 1.00 52.52 H new ATOM 0 HB3 HIS A 72 33.610 3.935 -15.046 1.00 52.52 H new ATOM 0 HD2 HIS A 72 35.551 4.883 -13.297 1.00 23.04 H new ATOM 0 HE1 HIS A 72 35.403 8.939 -14.530 1.00 43.54 H new ATOM 0 HE2 HIS A 72 36.338 7.319 -12.803 1.00 51.31 H new ATOM 1100 N ASN A 73 35.494 2.117 -17.652 1.00 1.11 N ATOM 1101 CA ASN A 73 36.100 0.802 -17.478 1.00 71.13 C ATOM 1102 C ASN A 73 37.114 0.520 -18.583 1.00 74.21 C ATOM 1103 O ASN A 73 37.035 1.090 -19.671 1.00 3.32 O ATOM 1104 CB ASN A 73 35.021 -0.283 -17.472 1.00 11.23 C ATOM 1105 CG ASN A 73 35.590 -1.666 -17.725 1.00 13.31 C ATOM 1106 OD1 ASN A 73 35.252 -2.316 -18.714 1.00 32.42 O ATOM 1107 ND2 ASN A 73 36.458 -2.121 -16.829 1.00 61.14 N ATOM 0 H ASN A 73 35.311 2.372 -18.622 1.00 1.11 H new ATOM 0 HA ASN A 73 36.620 0.793 -16.520 1.00 71.13 H new ATOM 0 HB2 ASN A 73 34.507 -0.275 -16.511 1.00 11.23 H new ATOM 0 HB3 ASN A 73 34.276 -0.055 -18.234 1.00 11.23 H new ATOM 0 HD21 ASN A 73 36.874 -3.045 -16.946 1.00 61.14 H new ATOM 0 HD22 ASN A 73 36.709 -1.547 -16.024 1.00 61.14 H new TER 1114 ASN A 73