USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 55 LYS NZ :NH3+ 172:sc= 0.0435 (180deg=0) USER MOD Set 1.2: A 59 THR OG1 : rot 119:sc= 0.0416 USER MOD Set 2.1: A 41 THR OG1 : rot 54:sc= 1.23 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.804! C(o=0.42!,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0034) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.0594 (180deg=-0.245) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.0744 K(o=0.074,f=-0.43) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.016 (180deg=-0.124) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.24) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc=-0.00436 (180deg=-0.0973) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -130:sc= 1.49 (180deg=-1.07!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.13) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.11) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0921 K(o=-0.092,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.602 53.941 24.124 1.00 0.00 N ATOM 2 CA GLY A 1 19.255 52.696 23.697 1.00 0.00 C ATOM 3 C GLY A 1 20.725 52.709 24.084 1.00 0.00 C ATOM 4 O GLY A 1 21.428 53.641 23.686 1.00 0.00 O ATOM 0 H1 GLY A 1 17.598 53.917 23.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.679 54.037 25.157 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.066 54.751 23.665 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.759 51.841 24.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.158 52.578 22.618 1.00 0.00 H new ATOM 10 N PRO A 2 21.219 51.698 24.824 1.00 0.00 N ATOM 11 CA PRO A 2 22.611 51.617 25.280 1.00 0.00 C ATOM 12 C PRO A 2 23.596 51.396 24.120 1.00 0.00 C ATOM 13 O PRO A 2 23.245 50.785 23.105 1.00 0.00 O ATOM 14 CB PRO A 2 22.645 50.444 26.265 1.00 0.00 C ATOM 15 CG PRO A 2 21.560 49.514 25.720 1.00 0.00 C ATOM 16 CD PRO A 2 20.499 50.492 25.214 1.00 0.00 C ATOM 0 HA PRO A 2 22.924 52.553 25.743 1.00 0.00 H new ATOM 0 HB2 PRO A 2 23.621 49.960 26.284 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.429 50.765 27.284 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.937 48.877 24.920 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.166 48.855 26.494 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.953 50.073 24.369 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.766 50.709 25.991 1.00 0.00 H new ATOM 24 N LEU A 3 24.838 51.857 24.278 1.00 0.00 N ATOM 25 CA LEU A 3 25.888 51.767 23.253 1.00 0.00 C ATOM 26 C LEU A 3 26.407 50.328 23.078 1.00 0.00 C ATOM 27 O LEU A 3 26.489 49.555 24.038 1.00 0.00 O ATOM 28 CB LEU A 3 27.058 52.714 23.593 1.00 0.00 C ATOM 29 CG LEU A 3 26.827 54.210 23.296 1.00 0.00 C ATOM 30 CD1 LEU A 3 25.788 54.879 24.200 1.00 0.00 C ATOM 31 CD2 LEU A 3 28.145 54.966 23.472 1.00 0.00 C ATOM 0 H LEU A 3 25.151 52.312 25.136 1.00 0.00 H new ATOM 0 HA LEU A 3 25.440 52.072 22.308 1.00 0.00 H new ATOM 0 HB2 LEU A 3 27.290 52.606 24.653 1.00 0.00 H new ATOM 0 HB3 LEU A 3 27.937 52.386 23.039 1.00 0.00 H new ATOM 0 HG LEU A 3 26.449 54.254 22.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.687 55.929 23.924 1.00 0.00 H new ATOM 0 HD12 LEU A 3 24.827 54.379 24.082 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.109 54.807 25.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 27.988 56.024 23.263 1.00 0.00 H new ATOM 0 HD22 LEU A 3 28.499 54.847 24.496 1.00 0.00 H new ATOM 0 HD23 LEU A 3 28.888 54.567 22.782 1.00 0.00 H new ATOM 43 N GLY A 4 26.830 49.969 21.863 1.00 0.00 N ATOM 44 CA GLY A 4 27.462 48.670 21.585 1.00 0.00 C ATOM 45 C GLY A 4 28.804 48.478 22.308 1.00 0.00 C ATOM 46 O GLY A 4 29.091 47.390 22.805 1.00 0.00 O ATOM 0 H GLY A 4 26.745 50.569 21.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.781 47.872 21.881 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.619 48.573 20.511 1.00 0.00 H new ATOM 50 N SER A 5 29.588 49.549 22.472 1.00 0.00 N ATOM 51 CA SER A 5 30.867 49.563 23.209 1.00 0.00 C ATOM 52 C SER A 5 30.738 49.539 24.749 1.00 0.00 C ATOM 53 O SER A 5 31.745 49.670 25.454 1.00 0.00 O ATOM 54 CB SER A 5 31.700 50.767 22.749 1.00 0.00 C ATOM 55 OG SER A 5 31.039 51.992 23.025 1.00 0.00 O ATOM 0 H SER A 5 29.347 50.461 22.085 1.00 0.00 H new ATOM 0 HA SER A 5 31.369 48.627 22.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.668 50.754 23.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.893 50.690 21.679 1.00 0.00 H new ATOM 0 HG SER A 5 31.596 52.740 22.722 1.00 0.00 H new ATOM 61 N LYS A 6 29.521 49.375 25.296 1.00 0.00 N ATOM 62 CA LYS A 6 29.248 49.328 26.744 1.00 0.00 C ATOM 63 C LYS A 6 30.004 48.184 27.438 1.00 0.00 C ATOM 64 O LYS A 6 30.023 47.051 26.940 1.00 0.00 O ATOM 65 CB LYS A 6 27.725 49.247 26.969 1.00 0.00 C ATOM 66 CG LYS A 6 27.312 49.145 28.447 1.00 0.00 C ATOM 67 CD LYS A 6 25.782 49.110 28.583 1.00 0.00 C ATOM 68 CE LYS A 6 25.303 49.014 30.037 1.00 0.00 C ATOM 69 NZ LYS A 6 25.694 47.744 30.697 1.00 0.00 N1+ ATOM 0 H LYS A 6 28.679 49.269 24.730 1.00 0.00 H new ATOM 0 HA LYS A 6 29.620 50.243 27.204 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.257 50.129 26.532 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.335 48.381 26.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.742 48.246 28.888 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.712 49.994 29.001 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.363 50.008 28.129 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.394 48.259 28.023 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.711 49.851 30.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.218 49.110 30.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.313 47.724 31.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.312 46.941 30.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.731 47.676 30.732 1.00 0.00 H new ATOM 83 N LYS A 7 30.594 48.491 28.597 1.00 0.00 N ATOM 84 CA LYS A 7 31.244 47.568 29.549 1.00 0.00 C ATOM 85 C LYS A 7 31.345 48.204 30.953 1.00 0.00 C ATOM 86 O LYS A 7 30.935 49.357 31.135 1.00 0.00 O ATOM 87 CB LYS A 7 32.629 47.148 28.998 1.00 0.00 C ATOM 88 CG LYS A 7 33.612 48.323 28.899 1.00 0.00 C ATOM 89 CD LYS A 7 35.010 47.901 28.427 1.00 0.00 C ATOM 90 CE LYS A 7 35.969 49.101 28.341 1.00 0.00 C ATOM 91 NZ LYS A 7 36.073 49.844 29.619 1.00 0.00 N1+ ATOM 0 H LYS A 7 30.636 49.457 28.923 1.00 0.00 H new ATOM 0 HA LYS A 7 30.635 46.670 29.656 1.00 0.00 H new ATOM 0 HB2 LYS A 7 33.053 46.379 29.643 1.00 0.00 H new ATOM 0 HB3 LYS A 7 32.502 46.702 28.011 1.00 0.00 H new ATOM 0 HG2 LYS A 7 33.212 49.067 28.210 1.00 0.00 H new ATOM 0 HG3 LYS A 7 33.694 48.803 29.874 1.00 0.00 H new ATOM 0 HD2 LYS A 7 35.417 47.159 29.114 1.00 0.00 H new ATOM 0 HD3 LYS A 7 34.935 47.424 27.450 1.00 0.00 H new ATOM 0 HE2 LYS A 7 36.958 48.750 28.048 1.00 0.00 H new ATOM 0 HE3 LYS A 7 35.627 49.779 27.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 36.862 50.520 29.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 35.187 50.359 29.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 36.244 49.175 30.397 1.00 0.00 H new ATOM 105 N ARG A 8 31.920 47.487 31.926 1.00 0.00 N ATOM 106 CA ARG A 8 32.339 47.999 33.256 1.00 0.00 C ATOM 107 C ARG A 8 33.724 47.492 33.682 1.00 0.00 C ATOM 108 O ARG A 8 34.311 46.611 33.061 1.00 0.00 O ATOM 109 CB ARG A 8 31.276 47.698 34.338 1.00 0.00 C ATOM 110 CG ARG A 8 30.214 48.808 34.438 1.00 0.00 C ATOM 111 CD ARG A 8 29.466 48.781 35.782 1.00 0.00 C ATOM 112 NE ARG A 8 30.316 49.227 36.909 1.00 0.00 N ATOM 113 CZ ARG A 8 29.978 49.250 38.187 1.00 0.00 C ATOM 114 NH1 ARG A 8 28.830 48.838 38.637 1.00 0.00 N1+ ATOM 115 NH2 ARG A 8 30.815 49.687 39.070 1.00 0.00 N ATOM 0 H ARG A 8 32.118 46.493 31.813 1.00 0.00 H new ATOM 0 HA ARG A 8 32.423 49.081 33.154 1.00 0.00 H new ATOM 0 HB2 ARG A 8 30.788 46.750 34.111 1.00 0.00 H new ATOM 0 HB3 ARG A 8 31.767 47.580 35.304 1.00 0.00 H new ATOM 0 HG2 ARG A 8 30.693 49.779 34.311 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.498 48.697 33.624 1.00 0.00 H new ATOM 0 HD2 ARG A 8 28.586 49.421 35.718 1.00 0.00 H new ATOM 0 HD3 ARG A 8 29.110 47.769 35.977 1.00 0.00 H new ATOM 0 HE ARG A 8 31.256 49.548 36.676 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.131 48.471 37.991 1.00 0.00 H new ATOM 0 HH12 ARG A 8 28.628 48.882 39.636 1.00 0.00 H new ATOM 0 HH21 ARG A 8 31.737 50.014 38.781 1.00 0.00 H new ATOM 0 HH22 ARG A 8 30.554 49.704 40.056 1.00 0.00 H new ATOM 129 N GLU A 9 34.255 48.074 34.751 1.00 0.00 N ATOM 130 CA GLU A 9 35.518 47.728 35.426 1.00 0.00 C ATOM 131 C GLU A 9 35.377 46.667 36.543 1.00 0.00 C ATOM 132 O GLU A 9 36.366 46.283 37.165 1.00 0.00 O ATOM 133 CB GLU A 9 36.174 49.023 35.951 1.00 0.00 C ATOM 134 CG GLU A 9 35.573 49.672 37.215 1.00 0.00 C ATOM 135 CD GLU A 9 34.059 49.943 37.191 1.00 0.00 C ATOM 136 OE1 GLU A 9 33.489 50.332 36.140 1.00 0.00 O ATOM 137 OE2 GLU A 9 33.409 49.792 38.246 1.00 0.00 O1- ATOM 0 H GLU A 9 33.787 48.857 35.208 1.00 0.00 H new ATOM 0 HA GLU A 9 36.160 47.252 34.685 1.00 0.00 H new ATOM 0 HB2 GLU A 9 37.224 48.809 36.151 1.00 0.00 H new ATOM 0 HB3 GLU A 9 36.146 49.761 35.150 1.00 0.00 H new ATOM 0 HG2 GLU A 9 35.791 49.028 38.067 1.00 0.00 H new ATOM 0 HG3 GLU A 9 36.086 50.617 37.391 1.00 0.00 H new ATOM 144 N VAL A 10 34.157 46.184 36.795 1.00 0.00 N ATOM 145 CA VAL A 10 33.798 45.104 37.737 1.00 0.00 C ATOM 146 C VAL A 10 32.766 44.182 37.080 1.00 0.00 C ATOM 147 O VAL A 10 32.053 44.623 36.174 1.00 0.00 O ATOM 148 CB VAL A 10 33.254 45.647 39.074 1.00 0.00 C ATOM 149 CG1 VAL A 10 34.318 46.436 39.844 1.00 0.00 C ATOM 150 CG2 VAL A 10 32.005 46.518 38.895 1.00 0.00 C ATOM 0 H VAL A 10 33.336 46.557 36.319 1.00 0.00 H new ATOM 0 HA VAL A 10 34.706 44.546 37.968 1.00 0.00 H new ATOM 0 HB VAL A 10 32.974 44.767 39.653 1.00 0.00 H new ATOM 0 HG11 VAL A 10 33.894 46.801 40.780 1.00 0.00 H new ATOM 0 HG12 VAL A 10 35.167 45.787 40.059 1.00 0.00 H new ATOM 0 HG13 VAL A 10 34.651 47.282 39.242 1.00 0.00 H new ATOM 0 HG21 VAL A 10 31.666 46.873 39.868 1.00 0.00 H new ATOM 0 HG22 VAL A 10 32.245 47.372 38.261 1.00 0.00 H new ATOM 0 HG23 VAL A 10 31.215 45.930 38.428 1.00 0.00 H new ATOM 160 N TRP A 11 32.690 42.899 37.447 1.00 0.00 N ATOM 161 CA TRP A 11 31.629 42.022 36.936 1.00 0.00 C ATOM 162 C TRP A 11 30.236 42.386 37.475 1.00 0.00 C ATOM 163 O TRP A 11 30.068 42.725 38.650 1.00 0.00 O ATOM 164 CB TRP A 11 31.928 40.551 37.229 1.00 0.00 C ATOM 165 CG TRP A 11 32.808 39.872 36.229 1.00 0.00 C ATOM 166 CD1 TRP A 11 33.968 39.225 36.487 1.00 0.00 C ATOM 167 CD2 TRP A 11 32.541 39.648 34.807 1.00 0.00 C ATOM 168 NE1 TRP A 11 34.441 38.647 35.333 1.00 0.00 N ATOM 169 CE2 TRP A 11 33.592 38.849 34.271 1.00 0.00 C ATOM 170 CE3 TRP A 11 31.497 40.000 33.924 1.00 0.00 C ATOM 171 CZ2 TRP A 11 33.601 38.412 32.939 1.00 0.00 C ATOM 172 CZ3 TRP A 11 31.522 39.596 32.575 1.00 0.00 C ATOM 173 CH2 TRP A 11 32.569 38.808 32.079 1.00 0.00 C ATOM 0 H TRP A 11 33.342 42.447 38.089 1.00 0.00 H new ATOM 0 HA TRP A 11 31.614 42.177 35.857 1.00 0.00 H new ATOM 0 HB2 TRP A 11 32.397 40.480 38.210 1.00 0.00 H new ATOM 0 HB3 TRP A 11 30.984 40.009 37.287 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.449 39.171 37.452 1.00 0.00 H new ATOM 0 HE1 TRP A 11 35.318 38.130 35.272 1.00 0.00 H new ATOM 0 HE3 TRP A 11 30.667 40.588 34.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 34.396 37.776 32.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 30.723 39.898 31.914 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.580 38.508 31.041 1.00 0.00 H new ATOM 184 N THR A 12 29.222 42.241 36.614 1.00 0.00 N ATOM 185 CA THR A 12 27.792 42.428 36.928 1.00 0.00 C ATOM 186 C THR A 12 26.950 41.413 36.144 1.00 0.00 C ATOM 187 O THR A 12 27.416 40.883 35.135 1.00 0.00 O ATOM 188 CB THR A 12 27.297 43.871 36.663 1.00 0.00 C ATOM 189 OG1 THR A 12 26.758 44.036 35.371 1.00 0.00 O ATOM 190 CG2 THR A 12 28.364 44.960 36.783 1.00 0.00 C ATOM 0 H THR A 12 29.376 41.980 35.640 1.00 0.00 H new ATOM 0 HA THR A 12 27.672 42.256 37.998 1.00 0.00 H new ATOM 0 HB THR A 12 26.550 43.992 37.448 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.460 44.963 35.257 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.916 45.932 36.579 1.00 0.00 H new ATOM 0 HG22 THR A 12 28.777 44.955 37.792 1.00 0.00 H new ATOM 0 HG23 THR A 12 29.161 44.770 36.064 1.00 0.00 H new ATOM 198 N ASP A 13 25.710 41.144 36.558 1.00 0.00 N ATOM 199 CA ASP A 13 24.818 40.219 35.836 1.00 0.00 C ATOM 200 C ASP A 13 24.398 40.717 34.440 1.00 0.00 C ATOM 201 O ASP A 13 24.104 39.906 33.563 1.00 0.00 O ATOM 202 CB ASP A 13 23.582 39.868 36.678 1.00 0.00 C ATOM 203 CG ASP A 13 22.665 41.021 37.102 1.00 0.00 C ATOM 204 OD1 ASP A 13 21.666 40.711 37.795 1.00 0.00 O ATOM 205 OD2 ASP A 13 22.938 42.208 36.802 1.00 0.00 O1- ATOM 0 H ASP A 13 25.294 41.554 37.394 1.00 0.00 H new ATOM 0 HA ASP A 13 25.407 39.317 35.671 1.00 0.00 H new ATOM 0 HB2 ASP A 13 22.984 39.152 36.115 1.00 0.00 H new ATOM 0 HB3 ASP A 13 23.923 39.360 37.580 1.00 0.00 H new ATOM 210 N ALA A 14 24.418 42.029 34.198 1.00 0.00 N ATOM 211 CA ALA A 14 24.251 42.593 32.858 1.00 0.00 C ATOM 212 C ALA A 14 25.484 42.355 31.968 1.00 0.00 C ATOM 213 O ALA A 14 25.348 42.223 30.752 1.00 0.00 O ATOM 214 CB ALA A 14 23.979 44.096 32.991 1.00 0.00 C ATOM 0 H ALA A 14 24.551 42.731 34.926 1.00 0.00 H new ATOM 0 HA ALA A 14 23.412 42.092 32.375 1.00 0.00 H new ATOM 0 HB1 ALA A 14 23.852 44.532 32.000 1.00 0.00 H new ATOM 0 HB2 ALA A 14 23.072 44.251 33.575 1.00 0.00 H new ATOM 0 HB3 ALA A 14 24.820 44.575 33.493 1.00 0.00 H new ATOM 220 N GLU A 15 26.681 42.275 32.561 1.00 0.00 N ATOM 221 CA GLU A 15 27.936 42.037 31.849 1.00 0.00 C ATOM 222 C GLU A 15 28.157 40.528 31.612 1.00 0.00 C ATOM 223 O GLU A 15 28.654 40.129 30.556 1.00 0.00 O ATOM 224 CB GLU A 15 29.086 42.713 32.619 1.00 0.00 C ATOM 225 CG GLU A 15 30.405 42.833 31.829 1.00 0.00 C ATOM 226 CD GLU A 15 30.534 44.138 31.028 1.00 0.00 C ATOM 227 OE1 GLU A 15 31.623 44.758 31.109 1.00 0.00 O ATOM 228 OE2 GLU A 15 29.574 44.531 30.313 1.00 0.00 O1- ATOM 0 H GLU A 15 26.804 42.376 33.569 1.00 0.00 H new ATOM 0 HA GLU A 15 27.898 42.485 30.856 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.767 43.711 32.921 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.275 42.149 33.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.241 42.761 32.524 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.485 41.989 31.145 1.00 0.00 H new ATOM 235 N HIS A 16 27.733 39.668 32.553 1.00 0.00 N ATOM 236 CA HIS A 16 27.842 38.201 32.447 1.00 0.00 C ATOM 237 C HIS A 16 27.156 37.672 31.179 1.00 0.00 C ATOM 238 O HIS A 16 27.697 36.800 30.495 1.00 0.00 O ATOM 239 CB HIS A 16 27.339 37.498 33.738 1.00 0.00 C ATOM 240 CG HIS A 16 26.216 36.493 33.541 1.00 0.00 C ATOM 241 ND1 HIS A 16 24.855 36.809 33.533 1.00 0.00 N ATOM 242 CD2 HIS A 16 26.351 35.175 33.198 1.00 0.00 C ATOM 243 CE1 HIS A 16 24.213 35.690 33.155 1.00 0.00 C ATOM 244 NE2 HIS A 16 25.083 34.685 32.972 1.00 0.00 N ATOM 0 H HIS A 16 27.298 39.976 33.423 1.00 0.00 H new ATOM 0 HA HIS A 16 28.899 37.953 32.350 1.00 0.00 H new ATOM 0 HB2 HIS A 16 28.182 36.988 34.205 1.00 0.00 H new ATOM 0 HB3 HIS A 16 27.001 38.262 34.438 1.00 0.00 H new ATOM 0 HD1 HIS A 16 24.433 37.708 33.767 1.00 0.00 H new ATOM 0 HD2 HIS A 16 27.276 34.623 33.119 1.00 0.00 H new ATOM 0 HE1 HIS A 16 23.145 35.611 33.018 1.00 0.00 H new ATOM 252 N ALA A 17 26.035 38.299 30.800 1.00 0.00 N ATOM 253 CA ALA A 17 25.290 38.033 29.575 1.00 0.00 C ATOM 254 C ALA A 17 26.122 38.141 28.276 1.00 0.00 C ATOM 255 O ALA A 17 25.698 37.606 27.253 1.00 0.00 O ATOM 256 CB ALA A 17 24.090 38.986 29.547 1.00 0.00 C ATOM 0 H ALA A 17 25.610 39.034 31.365 1.00 0.00 H new ATOM 0 HA ALA A 17 24.973 36.990 29.597 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.509 38.813 28.641 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.462 38.807 30.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.444 40.017 29.560 1.00 0.00 H new ATOM 262 N LYS A 18 27.305 38.777 28.292 1.00 0.00 N ATOM 263 CA LYS A 18 28.252 38.799 27.164 1.00 0.00 C ATOM 264 C LYS A 18 29.299 37.680 27.230 1.00 0.00 C ATOM 265 O LYS A 18 29.604 37.064 26.214 1.00 0.00 O ATOM 266 CB LYS A 18 28.926 40.179 27.104 1.00 0.00 C ATOM 267 CG LYS A 18 27.963 41.370 26.947 1.00 0.00 C ATOM 268 CD LYS A 18 27.072 41.245 25.705 1.00 0.00 C ATOM 269 CE LYS A 18 26.382 42.577 25.396 1.00 0.00 C ATOM 270 NZ LYS A 18 25.401 42.427 24.296 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.636 39.299 29.103 1.00 0.00 H new ATOM 0 HA LYS A 18 27.685 38.617 26.251 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.509 40.321 28.014 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.628 40.187 26.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.335 41.445 27.835 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.539 42.293 26.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.673 40.934 24.850 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.322 40.470 25.866 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.878 42.945 26.290 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.129 43.322 25.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.948 43.344 24.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.889 42.099 23.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.676 41.733 24.569 1.00 0.00 H new ATOM 284 N PHE A 19 29.820 37.361 28.415 1.00 0.00 N ATOM 285 CA PHE A 19 30.788 36.257 28.607 1.00 0.00 C ATOM 286 C PHE A 19 30.238 34.926 28.104 1.00 0.00 C ATOM 287 O PHE A 19 30.953 34.171 27.444 1.00 0.00 O ATOM 288 CB PHE A 19 31.303 36.201 30.069 1.00 0.00 C ATOM 289 CG PHE A 19 30.945 34.990 30.932 1.00 0.00 C ATOM 290 CD1 PHE A 19 31.319 33.682 30.558 1.00 0.00 C ATOM 291 CD2 PHE A 19 30.281 35.171 32.161 1.00 0.00 C ATOM 292 CE1 PHE A 19 30.900 32.576 31.312 1.00 0.00 C ATOM 293 CE2 PHE A 19 29.915 34.068 32.951 1.00 0.00 C ATOM 294 CZ PHE A 19 30.181 32.767 32.498 1.00 0.00 C ATOM 0 H PHE A 19 29.589 37.856 29.276 1.00 0.00 H new ATOM 0 HA PHE A 19 31.661 36.466 27.989 1.00 0.00 H new ATOM 0 HB2 PHE A 19 32.390 36.274 30.039 1.00 0.00 H new ATOM 0 HB3 PHE A 19 30.938 37.091 30.582 1.00 0.00 H new ATOM 0 HD1 PHE A 19 31.934 33.531 29.683 1.00 0.00 H new ATOM 0 HD2 PHE A 19 30.050 36.170 32.500 1.00 0.00 H new ATOM 0 HE1 PHE A 19 31.132 31.576 30.977 1.00 0.00 H new ATOM 0 HE2 PHE A 19 29.430 34.221 33.904 1.00 0.00 H new ATOM 0 HZ PHE A 19 29.832 31.915 33.063 1.00 0.00 H new ATOM 304 N VAL A 20 28.953 34.692 28.357 1.00 0.00 N ATOM 305 CA VAL A 20 28.278 33.438 27.976 1.00 0.00 C ATOM 306 C VAL A 20 28.185 33.242 26.457 1.00 0.00 C ATOM 307 O VAL A 20 28.013 32.116 25.993 1.00 0.00 O ATOM 308 CB VAL A 20 26.895 33.294 28.634 1.00 0.00 C ATOM 309 CG1 VAL A 20 27.025 33.213 30.157 1.00 0.00 C ATOM 310 CG2 VAL A 20 25.924 34.420 28.264 1.00 0.00 C ATOM 0 H VAL A 20 28.345 35.360 28.831 1.00 0.00 H new ATOM 0 HA VAL A 20 28.914 32.641 28.361 1.00 0.00 H new ATOM 0 HB VAL A 20 26.476 32.366 28.244 1.00 0.00 H new ATOM 0 HG11 VAL A 20 26.035 33.112 30.602 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.633 32.349 30.425 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.499 34.121 30.530 1.00 0.00 H new ATOM 0 HG21 VAL A 20 24.969 34.255 28.763 1.00 0.00 H new ATOM 0 HG22 VAL A 20 26.339 35.377 28.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.773 34.430 27.185 1.00 0.00 H new ATOM 320 N GLU A 21 28.346 34.306 25.669 1.00 0.00 N ATOM 321 CA GLU A 21 28.321 34.250 24.206 1.00 0.00 C ATOM 322 C GLU A 21 29.664 33.841 23.631 1.00 0.00 C ATOM 323 O GLU A 21 29.706 32.970 22.770 1.00 0.00 O ATOM 324 CB GLU A 21 27.948 35.607 23.593 1.00 0.00 C ATOM 325 CG GLU A 21 26.759 36.297 24.255 1.00 0.00 C ATOM 326 CD GLU A 21 25.397 35.628 23.963 1.00 0.00 C ATOM 327 OE1 GLU A 21 24.368 36.354 23.973 1.00 0.00 O ATOM 328 OE2 GLU A 21 25.322 34.411 23.664 1.00 0.00 O1- ATOM 0 H GLU A 21 28.500 35.246 26.035 1.00 0.00 H new ATOM 0 HA GLU A 21 27.567 33.504 23.954 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.813 36.267 23.651 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.726 35.465 22.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.918 36.316 25.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 26.722 37.333 23.920 1.00 0.00 H new ATOM 335 N GLY A 22 30.769 34.395 24.145 1.00 0.00 N ATOM 336 CA GLY A 22 32.116 33.982 23.756 1.00 0.00 C ATOM 337 C GLY A 22 32.346 32.471 23.883 1.00 0.00 C ATOM 338 O GLY A 22 33.164 31.915 23.150 1.00 0.00 O ATOM 0 H GLY A 22 30.751 35.141 24.841 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.298 34.285 22.725 1.00 0.00 H new ATOM 0 HA3 GLY A 22 32.843 34.507 24.376 1.00 0.00 H new ATOM 342 N LEU A 23 31.571 31.777 24.726 1.00 0.00 N ATOM 343 CA LEU A 23 31.618 30.310 24.809 1.00 0.00 C ATOM 344 C LEU A 23 31.194 29.649 23.477 1.00 0.00 C ATOM 345 O LEU A 23 31.806 28.673 23.057 1.00 0.00 O ATOM 346 CB LEU A 23 30.787 29.785 26.002 1.00 0.00 C ATOM 347 CG LEU A 23 30.782 30.640 27.281 1.00 0.00 C ATOM 348 CD1 LEU A 23 30.008 29.957 28.404 1.00 0.00 C ATOM 349 CD2 LEU A 23 32.192 30.881 27.791 1.00 0.00 C ATOM 0 H LEU A 23 30.901 32.209 25.363 1.00 0.00 H new ATOM 0 HA LEU A 23 32.655 30.026 24.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.756 29.666 25.670 1.00 0.00 H new ATOM 0 HB3 LEU A 23 31.155 28.792 26.260 1.00 0.00 H new ATOM 0 HG LEU A 23 30.308 31.584 27.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 30.024 30.588 29.293 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.976 29.798 28.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 30.470 28.996 28.632 1.00 0.00 H new ATOM 0 HD21 LEU A 23 32.153 31.488 28.695 1.00 0.00 H new ATOM 0 HD22 LEU A 23 32.666 29.925 28.016 1.00 0.00 H new ATOM 0 HD23 LEU A 23 32.771 31.403 27.029 1.00 0.00 H new ATOM 361 N ALA A 24 30.232 30.235 22.758 1.00 0.00 N ATOM 362 CA ALA A 24 29.801 29.821 21.420 1.00 0.00 C ATOM 363 C ALA A 24 30.722 30.300 20.272 1.00 0.00 C ATOM 364 O ALA A 24 30.734 29.686 19.199 1.00 0.00 O ATOM 365 CB ALA A 24 28.381 30.357 21.214 1.00 0.00 C ATOM 0 H ALA A 24 29.713 31.041 23.105 1.00 0.00 H new ATOM 0 HA ALA A 24 29.845 28.733 21.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 28.023 30.069 20.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 27.721 29.940 21.975 1.00 0.00 H new ATOM 0 HB3 ALA A 24 28.387 31.444 21.295 1.00 0.00 H new ATOM 371 N LEU A 25 31.483 31.388 20.460 1.00 0.00 N ATOM 372 CA LEU A 25 32.342 31.998 19.422 1.00 0.00 C ATOM 373 C LEU A 25 33.740 31.382 19.375 1.00 0.00 C ATOM 374 O LEU A 25 34.303 31.170 18.298 1.00 0.00 O ATOM 375 CB LEU A 25 32.487 33.520 19.643 1.00 0.00 C ATOM 376 CG LEU A 25 31.176 34.247 19.941 1.00 0.00 C ATOM 377 CD1 LEU A 25 31.409 35.742 20.114 1.00 0.00 C ATOM 378 CD2 LEU A 25 30.119 34.024 18.864 1.00 0.00 C ATOM 0 H LEU A 25 31.523 31.881 21.352 1.00 0.00 H new ATOM 0 HA LEU A 25 31.843 31.800 18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 33.177 33.690 20.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 32.938 33.962 18.755 1.00 0.00 H new ATOM 0 HG LEU A 25 30.800 33.822 20.872 1.00 0.00 H new ATOM 0 HD11 LEU A 25 30.461 36.236 20.325 1.00 0.00 H new ATOM 0 HD12 LEU A 25 32.098 35.909 20.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 31.836 36.152 19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 25 29.210 34.564 19.129 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.492 34.389 17.907 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.899 32.959 18.785 1.00 0.00 H new ATOM 390 N PHE A 26 34.306 31.157 20.559 1.00 0.00 N ATOM 391 CA PHE A 26 35.683 30.682 20.754 1.00 0.00 C ATOM 392 C PHE A 26 35.779 29.262 21.339 1.00 0.00 C ATOM 393 O PHE A 26 36.839 28.641 21.258 1.00 0.00 O ATOM 394 CB PHE A 26 36.451 31.680 21.632 1.00 0.00 C ATOM 395 CG PHE A 26 36.036 33.136 21.493 1.00 0.00 C ATOM 396 CD1 PHE A 26 35.440 33.780 22.590 1.00 0.00 C ATOM 397 CD2 PHE A 26 36.249 33.851 20.297 1.00 0.00 C ATOM 398 CE1 PHE A 26 35.041 35.123 22.501 1.00 0.00 C ATOM 399 CE2 PHE A 26 35.890 35.213 20.225 1.00 0.00 C ATOM 400 CZ PHE A 26 35.275 35.840 21.323 1.00 0.00 C ATOM 0 H PHE A 26 33.809 31.303 21.437 1.00 0.00 H new ATOM 0 HA PHE A 26 36.135 30.621 19.764 1.00 0.00 H new ATOM 0 HB2 PHE A 26 36.332 31.385 22.675 1.00 0.00 H new ATOM 0 HB3 PHE A 26 37.513 31.600 21.398 1.00 0.00 H new ATOM 0 HD1 PHE A 26 35.287 33.237 23.511 1.00 0.00 H new ATOM 0 HD2 PHE A 26 36.685 33.358 19.440 1.00 0.00 H new ATOM 0 HE1 PHE A 26 34.555 35.601 23.339 1.00 0.00 H new ATOM 0 HE2 PHE A 26 36.088 35.776 19.325 1.00 0.00 H new ATOM 0 HZ PHE A 26 34.983 36.878 21.257 1.00 0.00 H new ATOM 410 N HIS A 27 34.686 28.736 21.909 1.00 0.00 N ATOM 411 CA HIS A 27 34.572 27.341 22.394 1.00 0.00 C ATOM 412 C HIS A 27 35.645 26.935 23.424 1.00 0.00 C ATOM 413 O HIS A 27 36.498 26.081 23.167 1.00 0.00 O ATOM 414 CB HIS A 27 34.436 26.383 21.195 1.00 0.00 C ATOM 415 CG HIS A 27 34.034 24.980 21.578 1.00 0.00 C ATOM 416 ND1 HIS A 27 32.958 24.647 22.408 1.00 0.00 N ATOM 417 CD2 HIS A 27 34.581 23.831 21.082 1.00 0.00 C ATOM 418 CE1 HIS A 27 32.905 23.304 22.412 1.00 0.00 C ATOM 419 NE2 HIS A 27 33.861 22.790 21.624 1.00 0.00 N ATOM 0 H HIS A 27 33.833 29.276 22.052 1.00 0.00 H new ATOM 0 HA HIS A 27 33.656 27.265 22.980 1.00 0.00 H new ATOM 0 HB2 HIS A 27 33.697 26.786 20.502 1.00 0.00 H new ATOM 0 HB3 HIS A 27 35.386 26.346 20.662 1.00 0.00 H new ATOM 0 HD2 HIS A 27 35.414 23.754 20.399 1.00 0.00 H new ATOM 0 HE1 HIS A 27 32.191 22.719 22.973 1.00 0.00 H new ATOM 0 HE2 HIS A 27 34.026 21.798 21.455 1.00 0.00 H new ATOM 427 N LYS A 28 35.579 27.544 24.619 1.00 0.00 N ATOM 428 CA LYS A 28 36.513 27.376 25.755 1.00 0.00 C ATOM 429 C LYS A 28 37.914 27.928 25.443 1.00 0.00 C ATOM 430 O LYS A 28 38.868 27.188 25.204 1.00 0.00 O ATOM 431 CB LYS A 28 36.461 25.910 26.258 1.00 0.00 C ATOM 432 CG LYS A 28 36.640 25.738 27.776 1.00 0.00 C ATOM 433 CD LYS A 28 38.032 26.069 28.331 1.00 0.00 C ATOM 434 CE LYS A 28 39.089 25.116 27.764 1.00 0.00 C ATOM 435 NZ LYS A 28 40.410 25.343 28.386 1.00 0.00 N1+ ATOM 0 H LYS A 28 34.832 28.205 24.835 1.00 0.00 H new ATOM 0 HA LYS A 28 36.192 27.991 26.596 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.504 25.476 25.968 1.00 0.00 H new ATOM 0 HB3 LYS A 28 37.237 25.339 25.749 1.00 0.00 H new ATOM 0 HG2 LYS A 28 35.909 26.369 28.282 1.00 0.00 H new ATOM 0 HG3 LYS A 28 36.403 24.706 28.035 1.00 0.00 H new ATOM 0 HD2 LYS A 28 38.292 27.097 28.080 1.00 0.00 H new ATOM 0 HD3 LYS A 28 38.020 25.999 29.419 1.00 0.00 H new ATOM 0 HE2 LYS A 28 38.779 24.085 27.932 1.00 0.00 H new ATOM 0 HE3 LYS A 28 39.165 25.254 26.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 41.103 24.682 27.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 40.716 26.320 28.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 40.342 25.187 29.412 1.00 0.00 H new ATOM 449 N ASP A 29 38.017 29.261 25.413 1.00 0.00 N ATOM 450 CA ASP A 29 39.243 30.020 25.125 1.00 0.00 C ATOM 451 C ASP A 29 39.115 31.460 25.667 1.00 0.00 C ATOM 452 O ASP A 29 38.648 32.382 24.992 1.00 0.00 O ATOM 453 CB ASP A 29 39.524 30.007 23.610 1.00 0.00 C ATOM 454 CG ASP A 29 40.962 30.379 23.230 1.00 0.00 C ATOM 455 OD1 ASP A 29 41.801 30.634 24.124 1.00 0.00 O ATOM 456 OD2 ASP A 29 41.283 30.327 22.018 1.00 0.00 O1- ATOM 0 H ASP A 29 37.217 29.867 25.596 1.00 0.00 H new ATOM 0 HA ASP A 29 40.089 29.550 25.627 1.00 0.00 H new ATOM 0 HB2 ASP A 29 39.304 29.013 23.220 1.00 0.00 H new ATOM 0 HB3 ASP A 29 38.841 30.700 23.120 1.00 0.00 H new ATOM 461 N TRP A 30 39.451 31.669 26.940 1.00 0.00 N ATOM 462 CA TRP A 30 39.206 32.932 27.638 1.00 0.00 C ATOM 463 C TRP A 30 40.060 34.069 27.060 1.00 0.00 C ATOM 464 O TRP A 30 39.624 35.222 27.025 1.00 0.00 O ATOM 465 CB TRP A 30 39.481 32.771 29.135 1.00 0.00 C ATOM 466 CG TRP A 30 39.130 31.468 29.773 1.00 0.00 C ATOM 467 CD1 TRP A 30 39.896 30.805 30.663 1.00 0.00 C ATOM 468 CD2 TRP A 30 37.929 30.666 29.620 1.00 0.00 C ATOM 469 NE1 TRP A 30 39.233 29.685 31.118 1.00 0.00 N ATOM 470 CE2 TRP A 30 38.012 29.543 30.494 1.00 0.00 C ATOM 471 CE3 TRP A 30 36.793 30.775 28.799 1.00 0.00 C ATOM 472 CZ2 TRP A 30 36.982 28.598 30.576 1.00 0.00 C ATOM 473 CZ3 TRP A 30 35.753 29.840 28.870 1.00 0.00 C ATOM 474 CH2 TRP A 30 35.850 28.756 29.757 1.00 0.00 C ATOM 0 H TRP A 30 39.904 30.962 27.520 1.00 0.00 H new ATOM 0 HA TRP A 30 38.158 33.196 27.493 1.00 0.00 H new ATOM 0 HB2 TRP A 30 40.543 32.949 29.301 1.00 0.00 H new ATOM 0 HB3 TRP A 30 38.940 33.558 29.661 1.00 0.00 H new ATOM 0 HD1 TRP A 30 40.885 31.107 30.974 1.00 0.00 H new ATOM 0 HE1 TRP A 30 39.598 29.045 31.824 1.00 0.00 H new ATOM 0 HE3 TRP A 30 36.721 31.595 28.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 37.056 27.762 31.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 34.880 29.952 28.245 1.00 0.00 H new ATOM 0 HH2 TRP A 30 35.047 28.036 29.811 1.00 0.00 H new ATOM 485 N LYS A 31 41.223 33.709 26.488 1.00 0.00 N ATOM 486 CA LYS A 31 42.126 34.551 25.681 1.00 0.00 C ATOM 487 C LYS A 31 41.484 35.127 24.408 1.00 0.00 C ATOM 488 O LYS A 31 42.164 35.804 23.644 1.00 0.00 O ATOM 489 CB LYS A 31 43.388 33.761 25.283 1.00 0.00 C ATOM 490 CG LYS A 31 44.107 32.990 26.400 1.00 0.00 C ATOM 491 CD LYS A 31 44.597 33.866 27.562 1.00 0.00 C ATOM 492 CE LYS A 31 45.307 33.058 28.657 1.00 0.00 C ATOM 493 NZ LYS A 31 46.469 32.298 28.145 1.00 0.00 N1+ ATOM 0 H LYS A 31 41.581 32.759 26.583 1.00 0.00 H new ATOM 0 HA LYS A 31 42.377 35.395 26.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 43.112 33.050 24.504 1.00 0.00 H new ATOM 0 HB3 LYS A 31 44.099 34.458 24.840 1.00 0.00 H new ATOM 0 HG2 LYS A 31 43.431 32.231 26.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 44.961 32.466 25.971 1.00 0.00 H new ATOM 0 HD2 LYS A 31 45.278 34.625 27.177 1.00 0.00 H new ATOM 0 HD3 LYS A 31 43.748 34.392 27.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 45.639 33.735 29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 31 44.597 32.366 29.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 47.009 31.909 28.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 46.136 31.519 27.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 47.080 32.930 27.589 1.00 0.00 H new ATOM 507 N LYS A 32 40.193 34.894 24.171 1.00 0.00 N ATOM 508 CA LYS A 32 39.386 35.543 23.126 1.00 0.00 C ATOM 509 C LYS A 32 38.160 36.245 23.712 1.00 0.00 C ATOM 510 O LYS A 32 37.773 37.298 23.222 1.00 0.00 O ATOM 511 CB LYS A 32 38.995 34.487 22.086 1.00 0.00 C ATOM 512 CG LYS A 32 40.165 33.746 21.413 1.00 0.00 C ATOM 513 CD LYS A 32 41.083 34.639 20.565 1.00 0.00 C ATOM 514 CE LYS A 32 40.380 35.127 19.295 1.00 0.00 C ATOM 515 NZ LYS A 32 41.166 36.179 18.620 1.00 0.00 N1+ ATOM 0 H LYS A 32 39.656 34.223 24.720 1.00 0.00 H new ATOM 0 HA LYS A 32 39.976 36.322 22.644 1.00 0.00 H new ATOM 0 HB2 LYS A 32 38.352 33.750 22.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 38.401 34.970 21.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.763 33.261 22.185 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.762 32.956 20.779 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.404 35.497 21.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.981 34.084 20.294 1.00 0.00 H new ATOM 0 HE2 LYS A 32 40.230 34.289 18.615 1.00 0.00 H new ATOM 0 HE3 LYS A 32 39.393 35.513 19.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.635 36.538 17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.346 36.958 19.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.072 35.783 18.298 1.00 0.00 H new ATOM 529 N ILE A 33 37.622 35.767 24.838 1.00 0.00 N ATOM 530 CA ILE A 33 36.481 36.391 25.534 1.00 0.00 C ATOM 531 C ILE A 33 36.760 37.839 25.951 1.00 0.00 C ATOM 532 O ILE A 33 35.868 38.684 25.847 1.00 0.00 O ATOM 533 CB ILE A 33 36.018 35.521 26.725 1.00 0.00 C ATOM 534 CG1 ILE A 33 35.528 34.161 26.194 1.00 0.00 C ATOM 535 CG2 ILE A 33 34.907 36.232 27.516 1.00 0.00 C ATOM 536 CD1 ILE A 33 34.857 33.268 27.234 1.00 0.00 C ATOM 0 H ILE A 33 37.967 34.926 25.301 1.00 0.00 H new ATOM 0 HA ILE A 33 35.659 36.442 24.819 1.00 0.00 H new ATOM 0 HB ILE A 33 36.855 35.361 27.404 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.825 34.337 25.380 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.378 33.625 25.771 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.595 35.603 28.350 1.00 0.00 H new ATOM 0 HG22 ILE A 33 35.283 37.181 27.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 34.055 36.416 26.861 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.547 32.334 26.766 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.561 33.054 28.038 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.984 33.777 27.642 1.00 0.00 H new ATOM 548 N LYS A 34 38.004 38.160 26.329 1.00 0.00 N ATOM 549 CA LYS A 34 38.408 39.548 26.607 1.00 0.00 C ATOM 550 C LYS A 34 38.101 40.520 25.463 1.00 0.00 C ATOM 551 O LYS A 34 37.728 41.661 25.724 1.00 0.00 O ATOM 552 CB LYS A 34 39.877 39.638 27.056 1.00 0.00 C ATOM 553 CG LYS A 34 40.953 38.773 26.373 1.00 0.00 C ATOM 554 CD LYS A 34 41.061 38.912 24.851 1.00 0.00 C ATOM 555 CE LYS A 34 42.471 38.599 24.317 1.00 0.00 C ATOM 556 NZ LYS A 34 43.512 39.581 24.712 1.00 0.00 N1+ ATOM 0 H LYS A 34 38.751 37.477 26.450 1.00 0.00 H new ATOM 0 HA LYS A 34 37.786 39.872 27.441 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.184 40.678 26.949 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.904 39.405 28.121 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.921 39.020 26.810 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.754 37.728 26.609 1.00 0.00 H new ATOM 0 HD2 LYS A 34 40.343 38.242 24.379 1.00 0.00 H new ATOM 0 HD3 LYS A 34 40.787 39.927 24.564 1.00 0.00 H new ATOM 0 HE2 LYS A 34 42.768 37.612 24.670 1.00 0.00 H new ATOM 0 HE3 LYS A 34 42.431 38.549 23.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 44.363 39.438 24.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 43.152 40.546 24.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 43.752 39.448 25.715 1.00 0.00 H new ATOM 570 N GLU A 35 38.167 40.059 24.216 1.00 0.00 N ATOM 571 CA GLU A 35 37.836 40.861 23.027 1.00 0.00 C ATOM 572 C GLU A 35 36.341 41.187 22.913 1.00 0.00 C ATOM 573 O GLU A 35 35.969 42.247 22.403 1.00 0.00 O ATOM 574 CB GLU A 35 38.234 40.136 21.730 1.00 0.00 C ATOM 575 CG GLU A 35 39.715 39.773 21.644 1.00 0.00 C ATOM 576 CD GLU A 35 40.112 39.259 20.258 1.00 0.00 C ATOM 577 OE1 GLU A 35 41.006 38.383 20.210 1.00 0.00 O ATOM 578 OE2 GLU A 35 39.580 39.739 19.224 1.00 0.00 O1- ATOM 0 H GLU A 35 38.455 39.106 23.994 1.00 0.00 H new ATOM 0 HA GLU A 35 38.400 41.785 23.153 1.00 0.00 H new ATOM 0 HB2 GLU A 35 37.642 39.225 21.640 1.00 0.00 H new ATOM 0 HB3 GLU A 35 37.977 40.768 20.880 1.00 0.00 H new ATOM 0 HG2 GLU A 35 40.315 40.649 21.889 1.00 0.00 H new ATOM 0 HG3 GLU A 35 39.943 39.011 22.390 1.00 0.00 H new ATOM 585 N TYR A 36 35.481 40.276 23.373 1.00 0.00 N ATOM 586 CA TYR A 36 34.040 40.345 23.146 1.00 0.00 C ATOM 587 C TYR A 36 33.378 41.316 24.116 1.00 0.00 C ATOM 588 O TYR A 36 32.544 42.146 23.755 1.00 0.00 O ATOM 589 CB TYR A 36 33.472 38.935 23.304 1.00 0.00 C ATOM 590 CG TYR A 36 32.009 38.874 22.960 1.00 0.00 C ATOM 591 CD1 TYR A 36 31.024 38.822 23.966 1.00 0.00 C ATOM 592 CD2 TYR A 36 31.643 38.913 21.606 1.00 0.00 C ATOM 593 CE1 TYR A 36 29.667 38.756 23.604 1.00 0.00 C ATOM 594 CE2 TYR A 36 30.290 38.871 21.246 1.00 0.00 C ATOM 595 CZ TYR A 36 29.298 38.766 22.240 1.00 0.00 C ATOM 596 OH TYR A 36 27.999 38.641 21.864 1.00 0.00 O ATOM 0 H TYR A 36 35.770 39.464 23.918 1.00 0.00 H new ATOM 0 HA TYR A 36 33.837 40.718 22.142 1.00 0.00 H new ATOM 0 HB2 TYR A 36 34.024 38.248 22.663 1.00 0.00 H new ATOM 0 HB3 TYR A 36 33.617 38.599 24.331 1.00 0.00 H new ATOM 0 HD1 TYR A 36 31.309 38.833 25.008 1.00 0.00 H new ATOM 0 HD2 TYR A 36 32.404 38.975 20.842 1.00 0.00 H new ATOM 0 HE1 TYR A 36 28.906 38.698 24.369 1.00 0.00 H new ATOM 0 HE2 TYR A 36 30.007 38.919 20.205 1.00 0.00 H new ATOM 0 HH TYR A 36 27.937 38.671 20.886 1.00 0.00 H new ATOM 606 N ILE A 37 33.810 41.238 25.370 1.00 0.00 N ATOM 607 CA ILE A 37 33.454 42.220 26.391 1.00 0.00 C ATOM 608 C ILE A 37 34.178 43.575 26.164 1.00 0.00 C ATOM 609 O ILE A 37 33.538 44.615 26.313 1.00 0.00 O ATOM 610 CB ILE A 37 33.625 41.596 27.790 1.00 0.00 C ATOM 611 CG1 ILE A 37 32.597 40.461 28.033 1.00 0.00 C ATOM 612 CG2 ILE A 37 33.410 42.646 28.872 1.00 0.00 C ATOM 613 CD1 ILE A 37 33.144 39.086 27.682 1.00 0.00 C ATOM 0 H ILE A 37 34.417 40.492 25.709 1.00 0.00 H new ATOM 0 HA ILE A 37 32.399 42.483 26.311 1.00 0.00 H new ATOM 0 HB ILE A 37 34.638 41.195 27.835 1.00 0.00 H new ATOM 0 HG12 ILE A 37 32.293 40.470 29.080 1.00 0.00 H new ATOM 0 HG13 ILE A 37 31.703 40.654 27.440 1.00 0.00 H new ATOM 0 HG21 ILE A 37 33.535 42.188 29.853 1.00 0.00 H new ATOM 0 HG22 ILE A 37 34.138 43.448 28.751 1.00 0.00 H new ATOM 0 HG23 ILE A 37 32.403 43.055 28.787 1.00 0.00 H new ATOM 0 HD11 ILE A 37 32.381 38.331 27.872 1.00 0.00 H new ATOM 0 HD12 ILE A 37 33.422 39.063 26.628 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.022 38.877 28.294 1.00 0.00 H new ATOM 625 N GLY A 38 35.460 43.600 25.754 1.00 0.00 N ATOM 626 CA GLY A 38 36.137 44.831 25.282 1.00 0.00 C ATOM 627 C GLY A 38 37.579 45.072 25.761 1.00 0.00 C ATOM 628 O GLY A 38 37.819 45.953 26.592 1.00 0.00 O ATOM 0 H GLY A 38 36.057 42.773 25.739 1.00 0.00 H new ATOM 0 HA2 GLY A 38 36.142 44.816 24.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 35.533 45.686 25.587 1.00 0.00 H new ATOM 632 N THR A 39 38.550 44.341 25.204 1.00 0.00 N ATOM 633 CA THR A 39 40.016 44.508 25.389 1.00 0.00 C ATOM 634 C THR A 39 40.492 44.425 26.861 1.00 0.00 C ATOM 635 O THR A 39 41.548 44.941 27.244 1.00 0.00 O ATOM 636 CB THR A 39 40.551 45.730 24.606 1.00 0.00 C ATOM 637 OG1 THR A 39 39.985 45.740 23.311 1.00 0.00 O ATOM 638 CG2 THR A 39 42.061 45.722 24.353 1.00 0.00 C ATOM 0 H THR A 39 38.333 43.569 24.573 1.00 0.00 H new ATOM 0 HA THR A 39 40.483 43.631 24.940 1.00 0.00 H new ATOM 0 HB THR A 39 40.291 46.585 25.230 1.00 0.00 H new ATOM 0 HG1 THR A 39 40.321 46.514 22.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 42.342 46.617 23.798 1.00 0.00 H new ATOM 0 HG22 THR A 39 42.590 45.705 25.306 1.00 0.00 H new ATOM 0 HG23 THR A 39 42.328 44.838 23.774 1.00 0.00 H new ATOM 646 N LYS A 40 39.710 43.738 27.703 1.00 0.00 N ATOM 647 CA LYS A 40 39.975 43.475 29.128 1.00 0.00 C ATOM 648 C LYS A 40 41.160 42.524 29.372 1.00 0.00 C ATOM 649 O LYS A 40 41.671 41.911 28.430 1.00 0.00 O ATOM 650 CB LYS A 40 38.673 42.916 29.724 1.00 0.00 C ATOM 651 CG LYS A 40 37.607 44.023 29.827 1.00 0.00 C ATOM 652 CD LYS A 40 36.471 43.527 30.703 1.00 0.00 C ATOM 653 CE LYS A 40 35.374 44.580 30.857 1.00 0.00 C ATOM 654 NZ LYS A 40 34.252 44.081 31.677 1.00 0.00 N1+ ATOM 0 H LYS A 40 38.828 43.328 27.395 1.00 0.00 H new ATOM 0 HA LYS A 40 40.272 44.404 29.615 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.301 42.102 29.101 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.868 42.498 30.712 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.042 44.928 30.250 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.234 44.282 28.836 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.047 42.621 30.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.859 43.260 31.686 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.791 45.476 31.317 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.006 44.869 29.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.355 44.255 31.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.367 43.060 31.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.243 44.576 32.591 1.00 0.00 H new ATOM 668 N THR A 41 41.589 42.374 30.626 1.00 0.00 N ATOM 669 CA THR A 41 42.479 41.274 31.045 1.00 0.00 C ATOM 670 C THR A 41 41.656 39.991 31.226 1.00 0.00 C ATOM 671 O THR A 41 40.429 40.046 31.328 1.00 0.00 O ATOM 672 CB THR A 41 43.267 41.602 32.328 1.00 0.00 C ATOM 673 OG1 THR A 41 42.490 42.203 33.335 1.00 0.00 O ATOM 674 CG2 THR A 41 44.400 42.577 32.055 1.00 0.00 C ATOM 0 H THR A 41 41.334 43.007 31.384 1.00 0.00 H new ATOM 0 HA THR A 41 43.220 41.130 30.259 1.00 0.00 H new ATOM 0 HB THR A 41 43.628 40.630 32.665 1.00 0.00 H new ATOM 0 HG1 THR A 41 41.707 41.644 33.522 1.00 0.00 H new ATOM 0 HG21 THR A 41 44.933 42.785 32.983 1.00 0.00 H new ATOM 0 HG22 THR A 41 45.088 42.141 31.331 1.00 0.00 H new ATOM 0 HG23 THR A 41 43.993 43.506 31.655 1.00 0.00 H new ATOM 682 N VAL A 42 42.296 38.818 31.245 1.00 0.00 N ATOM 683 CA VAL A 42 41.586 37.521 31.323 1.00 0.00 C ATOM 684 C VAL A 42 41.367 37.019 32.760 1.00 0.00 C ATOM 685 O VAL A 42 40.456 36.226 32.979 1.00 0.00 O ATOM 686 CB VAL A 42 42.252 36.490 30.379 1.00 0.00 C ATOM 687 CG1 VAL A 42 41.717 35.070 30.510 1.00 0.00 C ATOM 688 CG2 VAL A 42 42.043 36.934 28.938 1.00 0.00 C ATOM 0 H VAL A 42 43.312 38.732 31.207 1.00 0.00 H new ATOM 0 HA VAL A 42 40.569 37.675 30.962 1.00 0.00 H new ATOM 0 HB VAL A 42 43.303 36.461 30.666 1.00 0.00 H new ATOM 0 HG11 VAL A 42 42.241 34.418 29.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 41.876 34.714 31.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 40.651 35.061 30.285 1.00 0.00 H new ATOM 0 HG21 VAL A 42 42.508 36.214 28.264 1.00 0.00 H new ATOM 0 HG22 VAL A 42 40.975 36.991 28.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 42.495 37.915 28.790 1.00 0.00 H new ATOM 698 N VAL A 43 42.104 37.522 33.757 1.00 0.00 N ATOM 699 CA VAL A 43 42.097 37.004 35.155 1.00 0.00 C ATOM 700 C VAL A 43 40.685 36.843 35.754 1.00 0.00 C ATOM 701 O VAL A 43 40.267 35.748 36.120 1.00 0.00 O ATOM 702 CB VAL A 43 42.958 37.895 36.084 1.00 0.00 C ATOM 703 CG1 VAL A 43 43.018 37.341 37.512 1.00 0.00 C ATOM 704 CG2 VAL A 43 44.399 38.052 35.585 1.00 0.00 C ATOM 0 H VAL A 43 42.736 38.312 33.627 1.00 0.00 H new ATOM 0 HA VAL A 43 42.530 36.006 35.093 1.00 0.00 H new ATOM 0 HB VAL A 43 42.465 38.867 36.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 43.632 37.996 38.131 1.00 0.00 H new ATOM 0 HG12 VAL A 43 42.011 37.291 37.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 43.454 36.342 37.497 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.956 38.686 36.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.873 37.072 35.529 1.00 0.00 H new ATOM 0 HG23 VAL A 43 44.394 38.509 34.596 1.00 0.00 H new ATOM 714 N GLN A 44 39.935 37.942 35.812 1.00 0.00 N ATOM 715 CA GLN A 44 38.527 38.037 36.249 1.00 0.00 C ATOM 716 C GLN A 44 37.569 37.268 35.327 1.00 0.00 C ATOM 717 O GLN A 44 36.564 36.723 35.784 1.00 0.00 O ATOM 718 CB GLN A 44 38.053 39.509 36.377 1.00 0.00 C ATOM 719 CG GLN A 44 39.064 40.630 36.068 1.00 0.00 C ATOM 720 CD GLN A 44 39.686 40.520 34.678 1.00 0.00 C ATOM 721 OE1 GLN A 44 40.894 40.514 34.514 1.00 0.00 O ATOM 722 NE2 GLN A 44 38.927 40.188 33.666 1.00 0.00 N ATOM 0 H GLN A 44 40.310 38.851 35.540 1.00 0.00 H new ATOM 0 HA GLN A 44 38.498 37.572 37.235 1.00 0.00 H new ATOM 0 HB2 GLN A 44 37.197 39.642 35.716 1.00 0.00 H new ATOM 0 HB3 GLN A 44 37.695 39.656 37.396 1.00 0.00 H new ATOM 0 HG2 GLN A 44 38.565 41.595 36.159 1.00 0.00 H new ATOM 0 HG3 GLN A 44 39.857 40.610 36.815 1.00 0.00 H new ATOM 0 HE21 GLN A 44 37.912 40.183 33.770 1.00 0.00 H new ATOM 0 HE22 GLN A 44 39.350 39.934 32.773 1.00 0.00 H new ATOM 731 N ILE A 45 37.854 37.222 34.021 1.00 0.00 N ATOM 732 CA ILE A 45 37.062 36.437 33.062 1.00 0.00 C ATOM 733 C ILE A 45 37.164 34.943 33.372 1.00 0.00 C ATOM 734 O ILE A 45 36.153 34.254 33.275 1.00 0.00 O ATOM 735 CB ILE A 45 37.432 36.773 31.594 1.00 0.00 C ATOM 736 CG1 ILE A 45 36.996 38.213 31.236 1.00 0.00 C ATOM 737 CG2 ILE A 45 36.814 35.782 30.589 1.00 0.00 C ATOM 738 CD1 ILE A 45 37.606 38.744 29.937 1.00 0.00 C ATOM 0 H ILE A 45 38.635 37.724 33.599 1.00 0.00 H new ATOM 0 HA ILE A 45 36.015 36.718 33.176 1.00 0.00 H new ATOM 0 HB ILE A 45 38.516 36.689 31.520 1.00 0.00 H new ATOM 0 HG12 ILE A 45 35.910 38.243 31.154 1.00 0.00 H new ATOM 0 HG13 ILE A 45 37.272 38.879 32.054 1.00 0.00 H new ATOM 0 HG21 ILE A 45 37.104 36.062 29.576 1.00 0.00 H new ATOM 0 HG22 ILE A 45 37.173 34.775 30.803 1.00 0.00 H new ATOM 0 HG23 ILE A 45 35.728 35.806 30.675 1.00 0.00 H new ATOM 0 HD11 ILE A 45 37.251 39.759 29.757 1.00 0.00 H new ATOM 0 HD12 ILE A 45 38.693 38.749 30.021 1.00 0.00 H new ATOM 0 HD13 ILE A 45 37.309 38.103 29.107 1.00 0.00 H new ATOM 750 N ARG A 46 38.324 34.447 33.820 1.00 0.00 N ATOM 751 CA ARG A 46 38.493 33.026 34.199 1.00 0.00 C ATOM 752 C ARG A 46 37.568 32.632 35.356 1.00 0.00 C ATOM 753 O ARG A 46 36.862 31.626 35.275 1.00 0.00 O ATOM 754 CB ARG A 46 39.956 32.710 34.561 1.00 0.00 C ATOM 755 CG ARG A 46 40.944 33.019 33.425 1.00 0.00 C ATOM 756 CD ARG A 46 41.983 31.916 33.208 1.00 0.00 C ATOM 757 NE ARG A 46 43.008 31.864 34.262 1.00 0.00 N ATOM 758 CZ ARG A 46 43.637 30.784 34.689 1.00 0.00 C ATOM 759 NH1 ARG A 46 43.303 29.580 34.318 1.00 0.00 N1+ ATOM 760 NH2 ARG A 46 44.637 30.893 35.508 1.00 0.00 N ATOM 0 H ARG A 46 39.169 35.008 33.932 1.00 0.00 H new ATOM 0 HA ARG A 46 38.217 32.434 33.326 1.00 0.00 H new ATOM 0 HB2 ARG A 46 40.237 33.285 35.444 1.00 0.00 H new ATOM 0 HB3 ARG A 46 40.038 31.656 34.827 1.00 0.00 H new ATOM 0 HG2 ARG A 46 40.387 33.171 32.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 41.458 33.955 33.645 1.00 0.00 H new ATOM 0 HD2 ARG A 46 41.475 30.953 33.158 1.00 0.00 H new ATOM 0 HD3 ARG A 46 42.470 32.070 32.245 1.00 0.00 H new ATOM 0 HE ARG A 46 43.257 32.748 34.706 1.00 0.00 H new ATOM 0 HH11 ARG A 46 42.526 29.443 33.671 1.00 0.00 H new ATOM 0 HH12 ARG A 46 43.818 28.775 34.674 1.00 0.00 H new ATOM 0 HH21 ARG A 46 44.939 31.815 35.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 45.121 30.057 35.836 1.00 0.00 H new ATOM 774 N SER A 47 37.520 33.468 36.394 1.00 0.00 N ATOM 775 CA SER A 47 36.700 33.241 37.594 1.00 0.00 C ATOM 776 C SER A 47 35.191 33.314 37.328 1.00 0.00 C ATOM 777 O SER A 47 34.430 32.569 37.948 1.00 0.00 O ATOM 778 CB SER A 47 37.093 34.234 38.695 1.00 0.00 C ATOM 779 OG SER A 47 38.444 34.020 39.066 1.00 0.00 O ATOM 0 H SER A 47 38.056 34.335 36.429 1.00 0.00 H new ATOM 0 HA SER A 47 36.904 32.221 37.920 1.00 0.00 H new ATOM 0 HB2 SER A 47 36.960 35.256 38.341 1.00 0.00 H new ATOM 0 HB3 SER A 47 36.443 34.109 39.561 1.00 0.00 H new ATOM 0 HG SER A 47 38.695 34.656 39.768 1.00 0.00 H new ATOM 785 N HIS A 48 34.741 34.151 36.384 1.00 0.00 N ATOM 786 CA HIS A 48 33.340 34.156 35.927 1.00 0.00 C ATOM 787 C HIS A 48 33.030 33.011 34.959 1.00 0.00 C ATOM 788 O HIS A 48 31.987 32.380 35.103 1.00 0.00 O ATOM 789 CB HIS A 48 32.969 35.516 35.318 1.00 0.00 C ATOM 790 CG HIS A 48 31.910 36.244 36.114 1.00 0.00 C ATOM 791 ND1 HIS A 48 30.643 36.633 35.658 1.00 0.00 N ATOM 792 CD2 HIS A 48 32.050 36.640 37.410 1.00 0.00 C ATOM 793 CE1 HIS A 48 30.076 37.290 36.684 1.00 0.00 C ATOM 794 NE2 HIS A 48 30.887 37.287 37.753 1.00 0.00 N ATOM 0 H HIS A 48 35.331 34.840 35.917 1.00 0.00 H new ATOM 0 HA HIS A 48 32.719 33.991 36.808 1.00 0.00 H new ATOM 0 HB2 HIS A 48 33.862 36.137 35.257 1.00 0.00 H new ATOM 0 HB3 HIS A 48 32.613 35.368 34.298 1.00 0.00 H new ATOM 0 HD2 HIS A 48 32.908 36.477 38.045 1.00 0.00 H new ATOM 0 HE1 HIS A 48 29.102 37.756 36.653 1.00 0.00 H new ATOM 0 HE2 HIS A 48 30.676 37.695 38.664 1.00 0.00 H new ATOM 802 N ALA A 49 33.942 32.682 34.036 1.00 0.00 N ATOM 803 CA ALA A 49 33.792 31.574 33.094 1.00 0.00 C ATOM 804 C ALA A 49 33.438 30.278 33.824 1.00 0.00 C ATOM 805 O ALA A 49 32.356 29.746 33.625 1.00 0.00 O ATOM 806 CB ALA A 49 35.049 31.432 32.229 1.00 0.00 C ATOM 0 H ALA A 49 34.820 33.190 33.924 1.00 0.00 H new ATOM 0 HA ALA A 49 32.961 31.793 32.424 1.00 0.00 H new ATOM 0 HB1 ALA A 49 34.920 30.603 31.534 1.00 0.00 H new ATOM 0 HB2 ALA A 49 35.211 32.353 31.669 1.00 0.00 H new ATOM 0 HB3 ALA A 49 35.911 31.239 32.868 1.00 0.00 H new ATOM 812 N GLN A 50 34.260 29.831 34.768 1.00 0.00 N ATOM 813 CA GLN A 50 33.996 28.636 35.582 1.00 0.00 C ATOM 814 C GLN A 50 32.566 28.511 36.167 1.00 0.00 C ATOM 815 O GLN A 50 32.127 27.387 36.421 1.00 0.00 O ATOM 816 CB GLN A 50 34.996 28.637 36.737 1.00 0.00 C ATOM 817 CG GLN A 50 36.450 28.327 36.338 1.00 0.00 C ATOM 818 CD GLN A 50 36.710 26.865 35.979 1.00 0.00 C ATOM 819 OE1 GLN A 50 35.866 25.982 36.127 1.00 0.00 O ATOM 820 NE2 GLN A 50 37.891 26.553 35.496 1.00 0.00 N ATOM 0 H GLN A 50 35.141 30.290 34.997 1.00 0.00 H new ATOM 0 HA GLN A 50 34.099 27.785 34.909 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.968 29.613 37.221 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.674 27.905 37.477 1.00 0.00 H new ATOM 0 HG2 GLN A 50 36.721 28.951 35.486 1.00 0.00 H new ATOM 0 HG3 GLN A 50 37.107 28.608 37.161 1.00 0.00 H new ATOM 0 HE21 GLN A 50 38.598 27.277 35.369 1.00 0.00 H new ATOM 0 HE22 GLN A 50 38.101 25.586 35.248 1.00 0.00 H new ATOM 829 N LYS A 51 31.818 29.613 36.345 1.00 0.00 N ATOM 830 CA LYS A 51 30.414 29.609 36.791 1.00 0.00 C ATOM 831 C LYS A 51 29.439 29.042 35.753 1.00 0.00 C ATOM 832 O LYS A 51 28.501 28.360 36.163 1.00 0.00 O ATOM 833 CB LYS A 51 29.977 31.029 37.197 1.00 0.00 C ATOM 834 CG LYS A 51 30.911 31.730 38.182 1.00 0.00 C ATOM 835 CD LYS A 51 30.974 30.978 39.516 1.00 0.00 C ATOM 836 CE LYS A 51 31.736 31.849 40.499 1.00 0.00 C ATOM 837 NZ LYS A 51 33.202 31.713 40.341 1.00 0.00 N1+ ATOM 0 H LYS A 51 32.180 30.552 36.179 1.00 0.00 H new ATOM 0 HA LYS A 51 30.374 28.942 37.652 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.895 31.640 36.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 28.981 30.976 37.637 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.911 31.799 37.753 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.566 32.750 38.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 29.970 30.771 39.886 1.00 0.00 H new ATOM 0 HD3 LYS A 51 31.472 30.017 39.390 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.451 32.891 40.356 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.455 31.578 41.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.683 32.258 41.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.468 30.711 40.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.486 32.075 39.408 1.00 0.00 H new ATOM 851 N TYR A 52 29.669 29.220 34.440 1.00 0.00 N ATOM 852 CA TYR A 52 28.789 28.638 33.405 1.00 0.00 C ATOM 853 C TYR A 52 28.655 27.111 33.579 1.00 0.00 C ATOM 854 O TYR A 52 27.574 26.541 33.420 1.00 0.00 O ATOM 855 CB TYR A 52 29.272 29.003 31.981 1.00 0.00 C ATOM 856 CG TYR A 52 30.199 27.996 31.306 1.00 0.00 C ATOM 857 CD1 TYR A 52 31.579 28.244 31.250 1.00 0.00 C ATOM 858 CD2 TYR A 52 29.701 26.775 30.807 1.00 0.00 C ATOM 859 CE1 TYR A 52 32.472 27.237 30.870 1.00 0.00 C ATOM 860 CE2 TYR A 52 30.592 25.766 30.391 1.00 0.00 C ATOM 861 CZ TYR A 52 31.988 25.980 30.454 1.00 0.00 C ATOM 862 OH TYR A 52 32.867 24.994 30.125 1.00 0.00 O ATOM 0 H TYR A 52 30.452 29.759 34.069 1.00 0.00 H new ATOM 0 HA TYR A 52 27.798 29.073 33.534 1.00 0.00 H new ATOM 0 HB2 TYR A 52 28.396 29.141 31.347 1.00 0.00 H new ATOM 0 HB3 TYR A 52 29.786 29.963 32.029 1.00 0.00 H new ATOM 0 HD1 TYR A 52 31.956 29.224 31.503 1.00 0.00 H new ATOM 0 HD2 TYR A 52 28.635 26.613 30.744 1.00 0.00 H new ATOM 0 HE1 TYR A 52 33.536 27.423 30.895 1.00 0.00 H new ATOM 0 HE2 TYR A 52 30.207 24.826 30.023 1.00 0.00 H new ATOM 0 HH TYR A 52 32.373 24.190 29.861 1.00 0.00 H new ATOM 872 N PHE A 53 29.760 26.455 33.960 1.00 0.00 N ATOM 873 CA PHE A 53 29.864 25.010 34.166 1.00 0.00 C ATOM 874 C PHE A 53 29.021 24.527 35.360 1.00 0.00 C ATOM 875 O PHE A 53 28.532 23.401 35.358 1.00 0.00 O ATOM 876 CB PHE A 53 31.358 24.691 34.338 1.00 0.00 C ATOM 877 CG PHE A 53 31.756 23.228 34.398 1.00 0.00 C ATOM 878 CD1 PHE A 53 32.159 22.559 33.227 1.00 0.00 C ATOM 879 CD2 PHE A 53 31.830 22.561 35.637 1.00 0.00 C ATOM 880 CE1 PHE A 53 32.660 21.246 33.298 1.00 0.00 C ATOM 881 CE2 PHE A 53 32.323 21.246 35.706 1.00 0.00 C ATOM 882 CZ PHE A 53 32.759 20.594 34.539 1.00 0.00 C ATOM 0 H PHE A 53 30.639 26.939 34.139 1.00 0.00 H new ATOM 0 HA PHE A 53 29.458 24.474 33.308 1.00 0.00 H new ATOM 0 HB2 PHE A 53 31.899 25.154 33.512 1.00 0.00 H new ATOM 0 HB3 PHE A 53 31.702 25.172 35.254 1.00 0.00 H new ATOM 0 HD1 PHE A 53 32.083 23.055 32.271 1.00 0.00 H new ATOM 0 HD2 PHE A 53 31.507 23.062 36.537 1.00 0.00 H new ATOM 0 HE1 PHE A 53 32.969 20.738 32.396 1.00 0.00 H new ATOM 0 HE2 PHE A 53 32.367 20.736 36.657 1.00 0.00 H new ATOM 0 HZ PHE A 53 33.168 19.596 34.596 1.00 0.00 H new ATOM 892 N LEU A 54 28.786 25.386 36.360 1.00 0.00 N ATOM 893 CA LEU A 54 27.936 25.090 37.523 1.00 0.00 C ATOM 894 C LEU A 54 26.429 25.147 37.192 1.00 0.00 C ATOM 895 O LEU A 54 25.626 24.519 37.892 1.00 0.00 O ATOM 896 CB LEU A 54 28.273 26.073 38.665 1.00 0.00 C ATOM 897 CG LEU A 54 29.760 26.176 39.058 1.00 0.00 C ATOM 898 CD1 LEU A 54 29.928 27.214 40.166 1.00 0.00 C ATOM 899 CD2 LEU A 54 30.327 24.844 39.556 1.00 0.00 C ATOM 0 H LEU A 54 29.188 26.323 36.385 1.00 0.00 H new ATOM 0 HA LEU A 54 28.146 24.067 37.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.925 27.065 38.377 1.00 0.00 H new ATOM 0 HB3 LEU A 54 27.705 25.780 39.548 1.00 0.00 H new ATOM 0 HG LEU A 54 30.306 26.466 38.161 1.00 0.00 H new ATOM 0 HD11 LEU A 54 30.980 27.285 40.442 1.00 0.00 H new ATOM 0 HD12 LEU A 54 29.580 28.184 39.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 29.344 26.915 41.036 1.00 0.00 H new ATOM 0 HD21 LEU A 54 31.377 24.971 39.820 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.770 24.517 40.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.239 24.094 38.770 1.00 0.00 H new ATOM 911 N LYS A 55 26.045 25.882 36.138 1.00 0.00 N ATOM 912 CA LYS A 55 24.659 26.063 35.646 1.00 0.00 C ATOM 913 C LYS A 55 24.175 24.968 34.681 1.00 0.00 C ATOM 914 O LYS A 55 22.988 24.925 34.347 1.00 0.00 O ATOM 915 CB LYS A 55 24.548 27.445 34.969 1.00 0.00 C ATOM 916 CG LYS A 55 24.757 28.636 35.923 1.00 0.00 C ATOM 917 CD LYS A 55 23.652 28.836 36.976 1.00 0.00 C ATOM 918 CE LYS A 55 22.291 29.108 36.321 1.00 0.00 C ATOM 919 NZ LYS A 55 21.197 29.203 37.313 1.00 0.00 N1+ ATOM 0 H LYS A 55 26.722 26.395 35.573 1.00 0.00 H new ATOM 0 HA LYS A 55 24.008 25.990 36.517 1.00 0.00 H new ATOM 0 HB2 LYS A 55 25.283 27.504 34.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.565 27.533 34.507 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.708 28.505 36.439 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.839 29.546 35.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.583 27.949 37.605 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.916 29.669 37.628 1.00 0.00 H new ATOM 0 HE2 LYS A 55 22.344 30.036 35.752 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.066 28.312 35.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 20.326 29.520 36.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.037 28.270 37.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.458 29.886 38.053 1.00 0.00 H new ATOM 933 N LEU A 56 25.073 24.085 34.243 1.00 0.00 N ATOM 934 CA LEU A 56 24.796 22.981 33.312 1.00 0.00 C ATOM 935 C LEU A 56 23.699 22.013 33.807 1.00 0.00 C ATOM 936 O LEU A 56 23.484 21.859 35.010 1.00 0.00 O ATOM 937 CB LEU A 56 26.105 22.227 33.008 1.00 0.00 C ATOM 938 CG LEU A 56 27.128 23.029 32.183 1.00 0.00 C ATOM 939 CD1 LEU A 56 28.431 22.240 32.075 1.00 0.00 C ATOM 940 CD2 LEU A 56 26.641 23.309 30.761 1.00 0.00 C ATOM 0 H LEU A 56 26.050 24.117 34.535 1.00 0.00 H new ATOM 0 HA LEU A 56 24.400 23.423 32.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.567 21.934 33.950 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.864 21.309 32.472 1.00 0.00 H new ATOM 0 HG LEU A 56 27.272 23.978 32.699 1.00 0.00 H new ATOM 0 HD11 LEU A 56 29.154 22.809 31.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 28.832 22.061 33.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 28.239 21.286 31.584 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.399 23.877 30.222 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.460 22.366 30.246 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.716 23.884 30.800 1.00 0.00 H new ATOM 952 N ASN A 57 22.993 21.376 32.864 1.00 0.00 N ATOM 953 CA ASN A 57 21.921 20.394 33.098 1.00 0.00 C ATOM 954 C ASN A 57 20.896 20.824 34.173 1.00 0.00 C ATOM 955 O ASN A 57 20.639 20.106 35.140 1.00 0.00 O ATOM 956 CB ASN A 57 22.536 18.998 33.328 1.00 0.00 C ATOM 957 CG ASN A 57 21.480 17.902 33.318 1.00 0.00 C ATOM 958 OD1 ASN A 57 20.421 18.027 32.716 1.00 0.00 O ATOM 959 ND2 ASN A 57 21.711 16.804 33.994 1.00 0.00 N ATOM 0 H ASN A 57 23.160 21.537 31.871 1.00 0.00 H new ATOM 0 HA ASN A 57 21.311 20.341 32.196 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.276 18.796 32.554 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.062 18.986 34.283 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.012 16.062 34.016 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.590 16.691 34.498 1.00 0.00 H new ATOM 966 N LYS A 58 20.324 22.025 34.030 1.00 0.00 N ATOM 967 CA LYS A 58 19.412 22.661 34.998 1.00 0.00 C ATOM 968 C LYS A 58 20.058 22.879 36.373 1.00 0.00 C ATOM 969 O LYS A 58 19.475 22.567 37.417 1.00 0.00 O ATOM 970 CB LYS A 58 18.041 21.957 35.018 1.00 0.00 C ATOM 971 CG LYS A 58 17.428 21.903 33.604 1.00 0.00 C ATOM 972 CD LYS A 58 15.954 21.490 33.596 1.00 0.00 C ATOM 973 CE LYS A 58 15.100 22.577 34.251 1.00 0.00 C ATOM 974 NZ LYS A 58 13.668 22.232 34.219 1.00 0.00 N1+ ATOM 0 H LYS A 58 20.487 22.605 33.207 1.00 0.00 H new ATOM 0 HA LYS A 58 19.208 23.675 34.655 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.153 20.946 35.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.366 22.486 35.691 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.526 22.883 33.136 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.998 21.201 32.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.621 21.323 32.572 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.829 20.548 34.130 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.418 22.718 35.284 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.258 23.525 33.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.118 22.990 34.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.359 22.122 33.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.514 21.340 34.731 1.00 0.00 H new ATOM 988 N THR A 59 21.285 23.408 36.367 1.00 0.00 N ATOM 989 CA THR A 59 22.100 23.713 37.559 1.00 0.00 C ATOM 990 C THR A 59 22.277 22.466 38.457 1.00 0.00 C ATOM 991 O THR A 59 22.008 22.472 39.663 1.00 0.00 O ATOM 992 CB THR A 59 21.573 24.994 38.250 1.00 0.00 C ATOM 993 OG1 THR A 59 21.515 26.072 37.334 1.00 0.00 O ATOM 994 CG2 THR A 59 22.457 25.535 39.367 1.00 0.00 C ATOM 0 H THR A 59 21.762 23.647 35.498 1.00 0.00 H new ATOM 0 HA THR A 59 23.123 23.956 37.271 1.00 0.00 H new ATOM 0 HB THR A 59 20.608 24.677 38.645 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.589 26.381 37.250 1.00 0.00 H new ATOM 0 HG21 THR A 59 22.003 26.432 39.788 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.560 24.781 40.147 1.00 0.00 H new ATOM 0 HG23 THR A 59 23.441 25.780 38.966 1.00 0.00 H new ATOM 1002 N ALA A 60 22.670 21.343 37.842 1.00 0.00 N ATOM 1003 CA ALA A 60 22.793 20.020 38.475 1.00 0.00 C ATOM 1004 C ALA A 60 23.956 19.895 39.466 1.00 0.00 C ATOM 1005 O ALA A 60 25.082 20.340 39.145 1.00 0.00 O ATOM 1006 CB ALA A 60 22.897 18.958 37.376 1.00 0.00 C ATOM 1007 OXT ALA A 60 23.760 19.240 40.512 1.00 0.00 O1- ATOM 0 H ALA A 60 22.921 21.329 36.853 1.00 0.00 H new ATOM 0 HA ALA A 60 21.898 19.871 39.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.989 17.972 37.831 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.002 18.989 36.754 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.774 19.157 36.760 1.00 0.00 H new TER 1013 ALA A 60