USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 13 MET CE :methyl -153:sc= -0.0807 (180deg=-0.318) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.262 X(o=-0.34,f=-0.72) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0.0864 X(o=0.15,f=-0.021) USER MOD Set 2.2: A 66 THR OG1 : rot 173:sc= 0.0647 USER MOD Single : A 1 LEU N :NH3+ -146:sc= 0.0847 (180deg=-0.000177) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.241 (180deg=0.198) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.38) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.298) USER MOD Single : A 34 THR OG1 : rot 57:sc= 0.849 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -38:sc= 0.385 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00611 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc=-0.000947 (180deg=-0.0935) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0635) USER MOD Single : A 68 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 70 THR OG1 : rot 20:sc= 0.519 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00378) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.779 45.005 -1.278 1.00 0.00 N ATOM 2 CA LEU A 1 2.689 45.087 -2.464 1.00 0.00 C ATOM 3 C LEU A 1 2.404 43.901 -3.378 1.00 0.00 C ATOM 4 O LEU A 1 1.399 43.242 -3.183 1.00 0.00 O ATOM 5 CB LEU A 1 4.185 45.161 -2.042 1.00 0.00 C ATOM 6 CG LEU A 1 4.486 46.121 -0.869 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.966 46.108 -0.541 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.036 47.540 -1.208 1.00 0.00 C ATOM 0 H1 LEU A 1 1.519 45.965 -0.973 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.920 44.479 -1.535 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.265 44.515 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 1 2.493 46.010 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.519 44.160 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.775 45.469 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 1 3.930 45.779 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.161 46.789 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.267 45.099 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.535 46.426 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.256 48.201 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.567 47.888 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.963 47.545 -1.402 1.00 0.00 H new ATOM 22 N CYS A 2 3.365 43.473 -4.198 1.00 0.00 N ATOM 23 CA CYS A 2 3.244 42.282 -5.031 1.00 0.00 C ATOM 24 C CYS A 2 4.596 41.558 -4.985 1.00 0.00 C ATOM 25 O CYS A 2 5.636 42.167 -4.728 1.00 0.00 O ATOM 26 CB CYS A 2 2.857 42.621 -6.497 1.00 0.00 C ATOM 27 SG CYS A 2 4.020 43.759 -7.314 1.00 0.00 S ATOM 0 H CYS A 2 4.260 43.952 -4.301 1.00 0.00 H new ATOM 0 HA CYS A 2 2.442 41.651 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.802 41.697 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.861 43.063 -6.508 1.00 0.00 H new ATOM 0 HG CYS A 2 3.623 43.985 -8.531 1.00 0.00 H new ATOM 33 N VAL A 3 4.571 40.253 -5.251 1.00 0.00 N ATOM 34 CA VAL A 3 5.768 39.412 -5.189 1.00 0.00 C ATOM 35 C VAL A 3 5.701 38.507 -6.394 1.00 0.00 C ATOM 36 O VAL A 3 4.631 38.102 -6.850 1.00 0.00 O ATOM 37 CB VAL A 3 5.932 38.552 -3.889 1.00 0.00 C ATOM 38 CG1 VAL A 3 5.627 39.294 -2.594 1.00 0.00 C ATOM 39 CG2 VAL A 3 5.130 37.229 -3.821 1.00 0.00 C ATOM 0 H VAL A 3 3.724 39.749 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 3 6.636 40.071 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 3 6.993 38.318 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.767 38.621 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.300 40.146 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.596 39.646 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.331 36.730 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.064 37.445 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.429 36.579 -4.643 1.00 0.00 H new ATOM 49 N HIS A 4 6.863 38.027 -6.819 1.00 0.00 N ATOM 50 CA HIS A 4 6.991 37.379 -8.125 1.00 0.00 C ATOM 51 C HIS A 4 7.594 36.027 -7.794 1.00 0.00 C ATOM 52 O HIS A 4 8.320 35.849 -6.812 1.00 0.00 O ATOM 53 CB HIS A 4 7.991 38.123 -9.051 1.00 0.00 C ATOM 54 CG HIS A 4 7.635 39.540 -9.443 1.00 0.00 C ATOM 55 ND1 HIS A 4 6.370 40.110 -9.364 1.00 0.00 N ATOM 56 CD2 HIS A 4 8.508 40.459 -9.954 1.00 0.00 C ATOM 57 CE1 HIS A 4 6.505 41.366 -9.803 1.00 0.00 C ATOM 58 NE2 HIS A 4 7.772 41.603 -10.178 1.00 0.00 N ATOM 0 H HIS A 4 7.730 38.072 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 4 6.032 37.348 -8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.962 38.141 -8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.109 37.538 -9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.562 40.318 -10.144 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.705 42.090 -9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 4 8.128 42.478 -10.562 1.00 0.00 H new ATOM 66 N VAL A 5 7.393 35.069 -8.689 1.00 0.00 N ATOM 67 CA VAL A 5 7.544 33.648 -8.372 1.00 0.00 C ATOM 68 C VAL A 5 8.110 33.009 -9.636 1.00 0.00 C ATOM 69 O VAL A 5 7.677 33.272 -10.756 1.00 0.00 O ATOM 70 CB VAL A 5 6.219 32.942 -7.920 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.014 33.167 -6.407 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.929 33.368 -8.649 1.00 0.00 C ATOM 0 H VAL A 5 7.121 35.251 -9.655 1.00 0.00 H new ATOM 0 HA VAL A 5 8.201 33.532 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 5 6.368 31.895 -8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.094 32.678 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.857 32.747 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.946 34.236 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.083 32.810 -8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.763 34.435 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.028 33.161 -9.715 1.00 0.00 H new ATOM 82 N ARG A 6 9.147 32.189 -9.425 1.00 0.00 N ATOM 83 CA ARG A 6 10.012 31.639 -10.495 1.00 0.00 C ATOM 84 C ARG A 6 9.497 30.204 -10.679 1.00 0.00 C ATOM 85 O ARG A 6 8.528 29.835 -10.044 1.00 0.00 O ATOM 86 CB ARG A 6 11.479 31.493 -10.029 1.00 0.00 C ATOM 87 CG ARG A 6 12.221 32.799 -9.691 1.00 0.00 C ATOM 88 CD ARG A 6 13.004 33.373 -10.877 1.00 0.00 C ATOM 89 NE ARG A 6 14.416 32.938 -10.861 1.00 0.00 N ATOM 90 CZ ARG A 6 15.262 32.937 -11.883 1.00 0.00 C ATOM 91 NH1 ARG A 6 14.886 33.191 -13.099 1.00 0.00 N ATOM 92 NH2 ARG A 6 16.524 32.672 -11.675 1.00 0.00 N ATOM 0 H ARG A 6 9.419 31.879 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 6 9.983 32.280 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.496 30.852 -9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.036 30.975 -10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.500 33.540 -9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.908 32.616 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.536 33.057 -11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.958 34.462 -10.851 1.00 0.00 H new ATOM 0 HE ARG A 6 14.779 32.603 -9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.908 33.402 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.569 33.180 -13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.853 32.468 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.180 32.669 -12.456 1.00 0.00 H new ATOM 106 N SER A 7 9.822 29.578 -11.799 1.00 0.00 N ATOM 107 CA SER A 7 9.376 28.204 -12.077 1.00 0.00 C ATOM 108 C SER A 7 8.240 28.313 -13.111 1.00 0.00 C ATOM 109 O SER A 7 7.834 29.420 -13.472 1.00 0.00 O ATOM 110 CB SER A 7 9.245 27.204 -10.912 1.00 0.00 C ATOM 111 OG SER A 7 9.603 25.893 -11.350 1.00 0.00 O ATOM 0 H SER A 7 10.393 29.992 -12.536 1.00 0.00 H new ATOM 0 HA SER A 7 10.201 27.639 -12.511 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.888 27.509 -10.087 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.222 27.204 -10.536 1.00 0.00 H new ATOM 0 HG SER A 7 9.519 25.264 -10.603 1.00 0.00 H new ATOM 117 N GLU A 8 7.469 27.244 -13.237 1.00 0.00 N ATOM 118 CA GLU A 8 6.200 27.319 -13.970 1.00 0.00 C ATOM 119 C GLU A 8 5.108 27.576 -12.932 1.00 0.00 C ATOM 120 O GLU A 8 5.007 26.888 -11.919 1.00 0.00 O ATOM 121 CB GLU A 8 5.858 25.939 -14.591 1.00 0.00 C ATOM 122 CG GLU A 8 6.570 25.708 -15.917 1.00 0.00 C ATOM 123 CD GLU A 8 6.093 24.403 -16.588 1.00 0.00 C ATOM 124 OE1 GLU A 8 6.744 23.362 -16.398 1.00 0.00 O ATOM 125 OE2 GLU A 8 5.271 24.462 -17.529 1.00 0.00 O ATOM 0 H GLU A 8 7.688 26.326 -12.851 1.00 0.00 H new ATOM 0 HA GLU A 8 6.270 28.085 -14.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.134 25.150 -13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.781 25.868 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.386 26.551 -16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.646 25.662 -15.751 1.00 0.00 H new ATOM 132 N GLU A 9 4.265 28.564 -13.257 1.00 0.00 N ATOM 133 CA GLU A 9 3.172 29.004 -12.406 1.00 0.00 C ATOM 134 C GLU A 9 2.108 29.697 -13.253 1.00 0.00 C ATOM 135 O GLU A 9 2.414 30.478 -14.149 1.00 0.00 O ATOM 136 CB GLU A 9 3.665 29.940 -11.270 1.00 0.00 C ATOM 137 CG GLU A 9 3.006 29.549 -9.931 1.00 0.00 C ATOM 138 CD GLU A 9 3.879 29.873 -8.708 1.00 0.00 C ATOM 139 OE1 GLU A 9 5.059 29.394 -8.701 1.00 0.00 O ATOM 140 OE2 GLU A 9 3.413 30.476 -7.739 1.00 0.00 O ATOM 0 H GLU A 9 4.331 29.082 -14.133 1.00 0.00 H new ATOM 0 HA GLU A 9 2.738 28.125 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.750 29.876 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.425 30.975 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.053 30.070 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.786 28.481 -9.940 1.00 0.00 H new ATOM 147 N TRP A 10 0.851 29.451 -12.888 1.00 0.00 N ATOM 148 CA TRP A 10 -0.327 29.895 -13.628 1.00 0.00 C ATOM 149 C TRP A 10 -0.995 31.036 -12.854 1.00 0.00 C ATOM 150 O TRP A 10 -1.839 31.729 -13.415 1.00 0.00 O ATOM 151 CB TRP A 10 -1.337 28.743 -13.803 1.00 0.00 C ATOM 152 CG TRP A 10 -1.906 28.161 -12.531 1.00 0.00 C ATOM 153 CD1 TRP A 10 -2.792 28.777 -11.712 1.00 0.00 C ATOM 154 CD2 TRP A 10 -1.643 26.862 -11.924 1.00 0.00 C ATOM 155 NE1 TRP A 10 -3.052 27.981 -10.623 1.00 0.00 N ATOM 156 CE2 TRP A 10 -2.386 26.776 -10.696 1.00 0.00 C ATOM 157 CE3 TRP A 10 -0.875 25.729 -12.279 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -2.355 25.648 -9.872 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -0.853 24.582 -11.466 1.00 0.00 C ATOM 160 CH2 TRP A 10 -1.593 24.537 -10.267 1.00 0.00 C ATOM 0 H TRP A 10 0.618 28.923 -12.047 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.014 30.232 -14.616 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.164 29.101 -14.416 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -0.851 27.942 -14.360 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.229 29.749 -11.889 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -3.664 28.249 -9.853 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.295 25.745 -13.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -2.909 25.631 -8.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.263 23.727 -11.763 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.574 23.649 -9.653 1.00 0.00 H new ATOM 171 N ASP A 11 -0.557 31.291 -11.614 1.00 0.00 N ATOM 172 CA ASP A 11 -1.094 32.328 -10.752 1.00 0.00 C ATOM 173 C ASP A 11 0.059 33.158 -10.172 1.00 0.00 C ATOM 174 O ASP A 11 1.186 32.686 -9.977 1.00 0.00 O ATOM 175 CB ASP A 11 -1.896 31.694 -9.599 1.00 0.00 C ATOM 176 CG ASP A 11 -2.764 32.732 -8.881 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.625 33.316 -9.525 1.00 0.00 O ATOM 178 OD2 ASP A 11 -2.549 32.922 -7.629 1.00 0.00 O ATOM 0 H ASP A 11 0.200 30.763 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.753 32.970 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.529 30.897 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.210 31.236 -8.886 1.00 0.00 H new ATOM 183 N LEU A 12 -0.233 34.410 -9.839 1.00 0.00 N ATOM 184 CA LEU A 12 0.763 35.377 -9.408 1.00 0.00 C ATOM 185 C LEU A 12 0.500 35.584 -7.919 1.00 0.00 C ATOM 186 O LEU A 12 -0.643 35.703 -7.469 1.00 0.00 O ATOM 187 CB LEU A 12 0.612 36.726 -10.157 1.00 0.00 C ATOM 188 CG LEU A 12 0.612 36.677 -11.692 1.00 0.00 C ATOM 189 CD1 LEU A 12 0.450 38.093 -12.270 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.891 36.066 -12.262 1.00 0.00 C ATOM 0 H LEU A 12 -1.181 34.784 -9.862 1.00 0.00 H new ATOM 0 HA LEU A 12 1.771 35.018 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.319 37.190 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.422 37.382 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.227 36.043 -11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.452 38.044 -13.359 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.492 38.520 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.276 38.720 -11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.836 36.057 -13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.749 36.659 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.001 35.045 -11.896 1.00 0.00 H new ATOM 202 N MET A 13 1.548 35.914 -7.175 1.00 0.00 N ATOM 203 CA MET A 13 1.434 35.948 -5.729 1.00 0.00 C ATOM 204 C MET A 13 1.527 37.439 -5.374 1.00 0.00 C ATOM 205 O MET A 13 1.781 38.320 -6.202 1.00 0.00 O ATOM 206 CB MET A 13 2.619 35.185 -5.054 1.00 0.00 C ATOM 207 CG MET A 13 2.621 33.667 -5.212 1.00 0.00 C ATOM 208 SD MET A 13 1.099 32.824 -4.726 1.00 0.00 S ATOM 209 CE MET A 13 0.599 32.189 -6.359 1.00 0.00 C ATOM 0 H MET A 13 2.468 36.157 -7.543 1.00 0.00 H new ATOM 0 HA MET A 13 0.513 35.477 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.553 35.573 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.615 35.419 -3.989 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.828 33.429 -6.255 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.443 33.260 -4.623 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.484 32.071 -6.387 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.907 32.892 -7.133 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.074 31.224 -6.535 1.00 0.00 H new ATOM 219 N THR A 14 1.334 37.779 -4.108 1.00 0.00 N ATOM 220 CA THR A 14 1.120 39.167 -3.698 1.00 0.00 C ATOM 221 C THR A 14 1.631 39.286 -2.274 1.00 0.00 C ATOM 222 O THR A 14 1.631 38.310 -1.510 1.00 0.00 O ATOM 223 CB THR A 14 -0.375 39.606 -3.809 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.459 40.983 -3.540 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.383 38.922 -2.882 1.00 0.00 C ATOM 0 H THR A 14 1.321 37.110 -3.338 1.00 0.00 H new ATOM 0 HA THR A 14 1.660 39.838 -4.366 1.00 0.00 H new ATOM 0 HB THR A 14 -0.653 39.312 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.393 41.273 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.379 39.324 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.383 37.849 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.105 39.106 -1.844 1.00 0.00 H new ATOM 233 N PHE A 15 1.992 40.489 -1.835 1.00 0.00 N ATOM 234 CA PHE A 15 2.697 40.657 -0.577 1.00 0.00 C ATOM 235 C PHE A 15 1.595 41.227 0.305 1.00 0.00 C ATOM 236 O PHE A 15 1.268 42.416 0.263 1.00 0.00 O ATOM 237 CB PHE A 15 3.870 41.679 -0.614 1.00 0.00 C ATOM 238 CG PHE A 15 4.846 41.592 0.559 1.00 0.00 C ATOM 239 CD1 PHE A 15 4.436 41.866 1.878 1.00 0.00 C ATOM 240 CD2 PHE A 15 6.199 41.263 0.321 1.00 0.00 C ATOM 241 CE1 PHE A 15 5.361 41.792 2.937 1.00 0.00 C ATOM 242 CE2 PHE A 15 7.122 41.179 1.380 1.00 0.00 C ATOM 243 CZ PHE A 15 6.703 41.443 2.698 1.00 0.00 C ATOM 0 H PHE A 15 1.806 41.359 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 15 3.162 39.723 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.426 41.536 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.453 42.686 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.409 42.134 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.530 41.073 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.037 42.006 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.150 40.913 1.182 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.404 41.378 3.517 1.00 0.00 H new ATOM 253 N ASP A 16 1.137 40.330 1.178 1.00 0.00 N ATOM 254 CA ASP A 16 -0.013 40.541 2.041 1.00 0.00 C ATOM 255 C ASP A 16 0.009 39.498 3.156 1.00 0.00 C ATOM 256 O ASP A 16 0.620 38.415 3.051 1.00 0.00 O ATOM 257 CB ASP A 16 -1.364 40.440 1.268 1.00 0.00 C ATOM 258 CG ASP A 16 -2.113 41.769 1.287 1.00 0.00 C ATOM 259 OD1 ASP A 16 -2.134 42.389 2.350 1.00 0.00 O ATOM 260 OD2 ASP A 16 -2.655 42.144 0.192 1.00 0.00 O ATOM 0 H ASP A 16 1.570 39.415 1.304 1.00 0.00 H new ATOM 0 HA ASP A 16 0.055 41.550 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.174 40.142 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.985 39.664 1.716 1.00 0.00 H new ATOM 265 N ALA A 17 -0.723 39.785 4.221 1.00 0.00 N ATOM 266 CA ALA A 17 -0.761 38.982 5.427 1.00 0.00 C ATOM 267 C ALA A 17 -2.050 39.329 6.172 1.00 0.00 C ATOM 268 O ALA A 17 -2.378 40.483 6.409 1.00 0.00 O ATOM 269 CB ALA A 17 0.451 39.233 6.373 1.00 0.00 C ATOM 0 H ALA A 17 -1.324 40.608 4.269 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.718 37.933 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.360 38.601 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.377 38.995 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.465 40.280 6.676 1.00 0.00 H new ATOM 275 N ASN A 18 -2.693 38.265 6.637 1.00 0.00 N ATOM 276 CA ASN A 18 -3.992 38.315 7.275 1.00 0.00 C ATOM 277 C ASN A 18 -3.746 38.019 8.762 1.00 0.00 C ATOM 278 O ASN A 18 -2.704 37.446 9.119 1.00 0.00 O ATOM 279 CB ASN A 18 -4.930 37.219 6.686 1.00 0.00 C ATOM 280 CG ASN A 18 -5.970 37.784 5.737 1.00 0.00 C ATOM 281 OD1 ASN A 18 -5.664 38.524 4.830 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.225 37.441 5.910 1.00 0.00 N ATOM 0 H ASN A 18 -2.311 37.321 6.577 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.466 39.284 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.329 36.477 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.433 36.701 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.943 37.798 5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.482 36.817 6.675 1.00 0.00 H new ATOM 289 N PRO A 19 -4.692 38.425 9.643 1.00 0.00 N ATOM 290 CA PRO A 19 -4.612 38.194 11.079 1.00 0.00 C ATOM 291 C PRO A 19 -4.853 36.704 11.375 1.00 0.00 C ATOM 292 O PRO A 19 -5.961 36.294 11.708 1.00 0.00 O ATOM 293 CB PRO A 19 -5.644 39.148 11.682 1.00 0.00 C ATOM 294 CG PRO A 19 -6.717 39.236 10.603 1.00 0.00 C ATOM 295 CD PRO A 19 -5.903 39.162 9.317 1.00 0.00 C ATOM 0 HA PRO A 19 -3.636 38.399 11.518 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.047 38.764 12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.210 40.124 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.434 38.418 10.677 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.285 40.164 10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.464 38.659 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.664 40.160 8.950 1.00 0.00 H new ATOM 303 N TYR A 20 -3.796 35.901 11.177 1.00 0.00 N ATOM 304 CA TYR A 20 -3.816 34.475 11.491 1.00 0.00 C ATOM 305 C TYR A 20 -2.866 34.178 12.658 1.00 0.00 C ATOM 306 O TYR A 20 -3.239 34.515 13.780 1.00 0.00 O ATOM 307 CB TYR A 20 -3.443 33.690 10.210 1.00 0.00 C ATOM 308 CG TYR A 20 -4.617 33.104 9.452 1.00 0.00 C ATOM 309 CD1 TYR A 20 -5.409 32.121 10.068 1.00 0.00 C ATOM 310 CD2 TYR A 20 -4.881 33.487 8.116 1.00 0.00 C ATOM 311 CE1 TYR A 20 -6.487 31.541 9.377 1.00 0.00 C ATOM 312 CE2 TYR A 20 -5.959 32.907 7.425 1.00 0.00 C ATOM 313 CZ TYR A 20 -6.762 31.934 8.051 1.00 0.00 C ATOM 314 OH TYR A 20 -7.801 31.373 7.373 1.00 0.00 O ATOM 0 H TYR A 20 -2.908 36.227 10.795 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.810 34.161 11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.894 34.354 9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.766 32.881 10.482 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.188 31.809 11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.257 34.222 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.103 30.797 9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.172 33.209 6.410 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.850 31.758 6.473 1.00 0.00 H new ATOM 324 N ASP A 21 -1.663 33.622 12.475 1.00 0.00 N ATOM 325 CA ASP A 21 -0.610 33.766 13.487 1.00 0.00 C ATOM 326 C ASP A 21 0.794 33.993 12.882 1.00 0.00 C ATOM 327 O ASP A 21 1.006 33.752 11.670 1.00 0.00 O ATOM 328 CB ASP A 21 -0.804 32.453 14.312 1.00 0.00 C ATOM 329 CG ASP A 21 -0.936 32.697 15.801 1.00 0.00 C ATOM 330 OD1 ASP A 21 -0.126 33.519 16.266 1.00 0.00 O ATOM 331 OD2 ASP A 21 -1.752 31.955 16.420 1.00 0.00 O ATOM 0 H ASP A 21 -1.397 33.079 11.654 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.685 34.657 14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.694 31.936 13.955 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.043 31.791 14.133 1.00 0.00 H new ATOM 336 N SER A 22 1.821 33.751 13.705 1.00 0.00 N ATOM 337 CA SER A 22 3.244 33.794 13.328 1.00 0.00 C ATOM 338 C SER A 22 3.783 32.368 13.402 1.00 0.00 C ATOM 339 O SER A 22 4.421 31.901 12.457 1.00 0.00 O ATOM 340 CB SER A 22 4.093 34.695 14.249 1.00 0.00 C ATOM 341 OG SER A 22 3.663 36.038 14.171 1.00 0.00 O ATOM 0 H SER A 22 1.682 33.511 14.687 1.00 0.00 H new ATOM 0 HA SER A 22 3.314 34.216 12.326 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.019 34.344 15.278 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.143 34.627 13.964 1.00 0.00 H new ATOM 0 HG SER A 22 4.213 36.592 14.763 1.00 0.00 H new ATOM 347 N VAL A 23 3.330 31.619 14.408 1.00 0.00 N ATOM 348 CA VAL A 23 3.687 30.215 14.640 1.00 0.00 C ATOM 349 C VAL A 23 2.835 29.293 13.759 1.00 0.00 C ATOM 350 O VAL A 23 3.297 28.229 13.362 1.00 0.00 O ATOM 351 CB VAL A 23 3.609 29.797 16.121 1.00 0.00 C ATOM 352 CG1 VAL A 23 4.702 30.505 16.935 1.00 0.00 C ATOM 353 CG2 VAL A 23 2.226 30.059 16.746 1.00 0.00 C ATOM 0 H VAL A 23 2.683 31.983 15.108 1.00 0.00 H new ATOM 0 HA VAL A 23 4.735 30.111 14.358 1.00 0.00 H new ATOM 0 HB VAL A 23 3.771 28.720 16.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.634 30.199 17.979 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.682 30.235 16.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.567 31.584 16.863 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.233 29.744 17.790 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.997 31.123 16.689 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.468 29.495 16.202 1.00 0.00 H new ATOM 363 N LEU A 24 1.666 29.751 13.300 1.00 0.00 N ATOM 364 CA LEU A 24 0.756 28.990 12.438 1.00 0.00 C ATOM 365 C LEU A 24 1.412 28.782 11.058 1.00 0.00 C ATOM 366 O LEU A 24 1.097 27.823 10.366 1.00 0.00 O ATOM 367 CB LEU A 24 -0.625 29.656 12.359 1.00 0.00 C ATOM 368 CG LEU A 24 -1.688 28.899 11.536 1.00 0.00 C ATOM 369 CD1 LEU A 24 -2.048 27.545 12.137 1.00 0.00 C ATOM 370 CD2 LEU A 24 -2.952 29.742 11.428 1.00 0.00 C ATOM 0 H LEU A 24 1.318 30.684 13.523 1.00 0.00 H new ATOM 0 HA LEU A 24 0.580 28.005 12.870 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.003 29.787 13.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.504 30.652 11.933 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.255 28.720 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.800 27.059 11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.157 26.919 12.184 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.445 27.687 13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.700 29.203 10.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.343 29.941 12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.719 30.686 10.935 1.00 0.00 H new ATOM 382 N LYS A 25 2.369 29.627 10.622 1.00 0.00 N ATOM 383 CA LYS A 25 3.059 29.445 9.335 1.00 0.00 C ATOM 384 C LYS A 25 4.019 28.251 9.364 1.00 0.00 C ATOM 385 O LYS A 25 3.974 27.430 8.443 1.00 0.00 O ATOM 386 CB LYS A 25 3.815 30.716 8.912 1.00 0.00 C ATOM 387 CG LYS A 25 3.137 31.406 7.732 1.00 0.00 C ATOM 388 CD LYS A 25 2.163 32.523 8.142 1.00 0.00 C ATOM 389 CE LYS A 25 2.933 33.843 8.232 1.00 0.00 C ATOM 390 NZ LYS A 25 2.166 34.878 8.947 1.00 0.00 N ATOM 0 H LYS A 25 2.680 30.444 11.147 1.00 0.00 H new ATOM 0 HA LYS A 25 2.284 29.241 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.870 31.405 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.840 30.458 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.903 31.826 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.596 30.661 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.356 32.606 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.703 32.289 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.881 33.676 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.169 34.195 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.784 35.689 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.369 35.190 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.803 34.487 9.840 1.00 0.00 H new ATOM 404 N ILE A 26 4.833 28.120 10.404 1.00 0.00 N ATOM 405 CA ILE A 26 5.785 26.993 10.553 1.00 0.00 C ATOM 406 C ILE A 26 4.976 25.736 10.882 1.00 0.00 C ATOM 407 O ILE A 26 5.297 24.667 10.365 1.00 0.00 O ATOM 408 CB ILE A 26 6.913 27.295 11.574 1.00 0.00 C ATOM 409 CG1 ILE A 26 7.846 26.096 11.831 1.00 0.00 C ATOM 410 CG2 ILE A 26 6.433 27.941 12.884 1.00 0.00 C ATOM 411 CD1 ILE A 26 7.429 25.084 12.925 1.00 0.00 C ATOM 0 H ILE A 26 4.862 28.786 11.176 1.00 0.00 H new ATOM 0 HA ILE A 26 6.321 26.831 9.618 1.00 0.00 H new ATOM 0 HB ILE A 26 7.512 28.058 11.076 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.958 25.550 10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.830 26.486 12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.287 28.117 13.538 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.944 28.890 12.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.727 27.275 13.381 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.178 24.295 12.996 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.350 25.597 13.884 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.465 24.646 12.667 1.00 0.00 H new ATOM 423 N LYS A 27 3.891 25.847 11.648 1.00 0.00 N ATOM 424 CA LYS A 27 3.088 24.698 12.070 1.00 0.00 C ATOM 425 C LYS A 27 2.174 24.203 10.941 1.00 0.00 C ATOM 426 O LYS A 27 1.980 22.989 10.835 1.00 0.00 O ATOM 427 CB LYS A 27 2.319 24.982 13.362 1.00 0.00 C ATOM 428 CG LYS A 27 2.401 23.761 14.289 1.00 0.00 C ATOM 429 CD LYS A 27 3.773 23.663 14.969 1.00 0.00 C ATOM 430 CE LYS A 27 4.068 22.207 15.365 1.00 0.00 C ATOM 431 NZ LYS A 27 4.868 22.133 16.606 1.00 0.00 N ATOM 0 H LYS A 27 3.542 26.740 11.995 1.00 0.00 H new ATOM 0 HA LYS A 27 3.778 23.885 12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.735 25.858 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.278 25.209 13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.621 23.826 15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.212 22.854 13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.548 24.028 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.795 24.299 15.854 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.130 21.670 15.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.603 21.710 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.049 21.137 16.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.773 22.625 16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.346 22.585 17.383 1.00 0.00 H new ATOM 445 N GLU A 28 1.752 25.062 10.023 1.00 0.00 N ATOM 446 CA GLU A 28 0.986 24.674 8.827 1.00 0.00 C ATOM 447 C GLU A 28 1.912 23.971 7.839 1.00 0.00 C ATOM 448 O GLU A 28 1.479 23.085 7.129 1.00 0.00 O ATOM 449 CB GLU A 28 0.368 25.875 8.101 1.00 0.00 C ATOM 450 CG GLU A 28 -0.977 26.326 8.683 1.00 0.00 C ATOM 451 CD GLU A 28 -2.164 25.588 8.062 1.00 0.00 C ATOM 452 OE1 GLU A 28 -2.025 24.379 7.779 1.00 0.00 O ATOM 453 OE2 GLU A 28 -3.181 26.268 7.809 1.00 0.00 O ATOM 0 H GLU A 28 1.930 26.065 10.081 1.00 0.00 H new ATOM 0 HA GLU A 28 0.182 24.023 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.068 26.710 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.231 25.621 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.976 26.162 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.097 27.398 8.524 1.00 0.00 H new ATOM 460 N HIS A 29 3.213 24.269 7.839 1.00 0.00 N ATOM 461 CA HIS A 29 4.193 23.622 6.956 1.00 0.00 C ATOM 462 C HIS A 29 4.444 22.166 7.400 1.00 0.00 C ATOM 463 O HIS A 29 4.881 21.341 6.614 1.00 0.00 O ATOM 464 CB HIS A 29 5.503 24.431 6.896 1.00 0.00 C ATOM 465 CG HIS A 29 6.506 23.795 5.965 1.00 0.00 C ATOM 466 ND1 HIS A 29 6.213 23.266 4.711 1.00 0.00 N ATOM 467 CD2 HIS A 29 7.753 23.396 6.340 1.00 0.00 C ATOM 468 CE1 HIS A 29 7.260 22.507 4.382 1.00 0.00 C ATOM 469 NE2 HIS A 29 8.226 22.594 5.327 1.00 0.00 N ATOM 0 H HIS A 29 3.622 24.971 8.456 1.00 0.00 H new ATOM 0 HA HIS A 29 3.782 23.596 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.289 25.447 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.931 24.507 7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.269 23.657 7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.328 21.907 3.487 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.141 22.145 5.294 1.00 0.00 H new ATOM 477 N VAL A 30 4.163 21.798 8.656 1.00 0.00 N ATOM 478 CA VAL A 30 4.328 20.442 9.205 1.00 0.00 C ATOM 479 C VAL A 30 2.988 19.703 9.305 1.00 0.00 C ATOM 480 O VAL A 30 2.938 18.477 9.138 1.00 0.00 O ATOM 481 CB VAL A 30 5.136 20.447 10.508 1.00 0.00 C ATOM 482 CG1 VAL A 30 5.553 19.018 10.894 1.00 0.00 C ATOM 483 CG2 VAL A 30 6.431 21.268 10.377 1.00 0.00 C ATOM 0 H VAL A 30 3.801 22.458 9.344 1.00 0.00 H new ATOM 0 HA VAL A 30 4.926 19.866 8.499 1.00 0.00 H new ATOM 0 HB VAL A 30 4.488 20.889 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.125 19.044 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.663 18.405 11.034 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.167 18.591 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.973 21.245 11.322 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.054 20.842 9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.184 22.299 10.125 1.00 0.00 H new ATOM 493 N ARG A 31 1.855 20.419 9.415 1.00 0.00 N ATOM 494 CA ARG A 31 0.561 19.824 9.761 1.00 0.00 C ATOM 495 C ARG A 31 -0.091 19.526 8.415 1.00 0.00 C ATOM 496 O ARG A 31 -0.547 20.373 7.674 1.00 0.00 O ATOM 497 CB ARG A 31 -0.263 20.859 10.562 1.00 0.00 C ATOM 498 CG ARG A 31 -1.645 20.383 11.054 1.00 0.00 C ATOM 499 CD ARG A 31 -2.801 20.641 10.082 1.00 0.00 C ATOM 500 NE ARG A 31 -4.098 20.261 10.682 1.00 0.00 N ATOM 501 CZ ARG A 31 -4.770 20.939 11.608 1.00 0.00 C ATOM 502 NH1 ARG A 31 -4.362 22.090 12.070 1.00 0.00 N ATOM 503 NH2 ARG A 31 -5.881 20.447 12.090 1.00 0.00 N ATOM 0 H ARG A 31 1.815 21.427 9.265 1.00 0.00 H new ATOM 0 HA ARG A 31 0.640 18.926 10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.322 21.170 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.405 21.742 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.593 19.313 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.868 20.877 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.820 21.695 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.642 20.075 9.164 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.519 19.392 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.497 22.502 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.908 22.577 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.228 19.548 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.401 20.962 12.800 1.00 0.00 H new ATOM 517 N SER A 32 -0.022 18.230 8.095 1.00 0.00 N ATOM 518 CA SER A 32 -0.406 17.615 6.813 1.00 0.00 C ATOM 519 C SER A 32 0.302 18.193 5.561 1.00 0.00 C ATOM 520 O SER A 32 -0.202 18.097 4.450 1.00 0.00 O ATOM 521 CB SER A 32 -1.944 17.585 6.710 1.00 0.00 C ATOM 522 OG SER A 32 -2.360 16.470 5.957 1.00 0.00 O ATOM 0 H SER A 32 0.323 17.538 8.761 1.00 0.00 H new ATOM 0 HA SER A 32 -0.034 16.591 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.382 17.543 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.302 18.502 6.243 1.00 0.00 H new ATOM 0 HG SER A 32 -3.338 16.461 5.900 1.00 0.00 H new ATOM 528 N LYS A 33 1.508 18.780 5.730 1.00 0.00 N ATOM 529 CA LYS A 33 2.294 19.472 4.687 1.00 0.00 C ATOM 530 C LYS A 33 3.698 18.891 4.478 1.00 0.00 C ATOM 531 O LYS A 33 4.117 18.733 3.353 1.00 0.00 O ATOM 532 CB LYS A 33 2.363 20.965 4.960 1.00 0.00 C ATOM 533 CG LYS A 33 1.368 21.855 4.211 1.00 0.00 C ATOM 534 CD LYS A 33 1.690 21.927 2.701 1.00 0.00 C ATOM 535 CE LYS A 33 1.176 23.252 2.106 1.00 0.00 C ATOM 536 NZ LYS A 33 1.771 23.504 0.770 1.00 0.00 N ATOM 0 H LYS A 33 1.979 18.784 6.635 1.00 0.00 H new ATOM 0 HA LYS A 33 1.759 19.303 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.219 21.121 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.370 21.307 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.358 21.469 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.387 22.859 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.766 21.845 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.229 21.085 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.090 23.220 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.421 24.075 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.157 24.149 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.710 23.935 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.863 22.605 0.256 1.00 0.00 H new ATOM 550 N THR A 34 4.382 18.532 5.565 1.00 0.00 N ATOM 551 CA THR A 34 5.701 17.870 5.539 1.00 0.00 C ATOM 552 C THR A 34 5.480 16.370 5.275 1.00 0.00 C ATOM 553 O THR A 34 6.336 15.700 4.713 1.00 0.00 O ATOM 554 CB THR A 34 6.505 18.094 6.835 1.00 0.00 C ATOM 555 OG1 THR A 34 6.999 19.413 6.855 1.00 0.00 O ATOM 556 CG2 THR A 34 7.744 17.210 7.000 1.00 0.00 C ATOM 0 H THR A 34 4.034 18.693 6.510 1.00 0.00 H new ATOM 0 HA THR A 34 6.299 18.312 4.742 1.00 0.00 H new ATOM 0 HB THR A 34 5.798 17.858 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.253 20.043 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.237 17.447 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.446 16.162 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.433 17.391 6.175 1.00 0.00 H new ATOM 564 N LYS A 35 4.288 15.862 5.620 1.00 0.00 N ATOM 565 CA LYS A 35 3.917 14.442 5.527 1.00 0.00 C ATOM 566 C LYS A 35 3.601 14.069 4.083 1.00 0.00 C ATOM 567 O LYS A 35 4.036 13.006 3.644 1.00 0.00 O ATOM 568 CB LYS A 35 2.655 14.216 6.393 1.00 0.00 C ATOM 569 CG LYS A 35 3.063 13.629 7.736 1.00 0.00 C ATOM 570 CD LYS A 35 1.953 13.665 8.809 1.00 0.00 C ATOM 571 CE LYS A 35 2.529 14.276 10.086 1.00 0.00 C ATOM 572 NZ LYS A 35 1.740 13.922 11.285 1.00 0.00 N ATOM 0 H LYS A 35 3.533 16.445 5.982 1.00 0.00 H new ATOM 0 HA LYS A 35 4.745 13.824 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.128 15.159 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.966 13.542 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.375 12.595 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.930 14.174 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.106 14.253 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.583 12.659 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.556 13.936 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.563 15.361 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.170 14.359 12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.766 14.269 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.729 12.888 11.400 1.00 0.00 H new ATOM 586 N VAL A 36 3.030 14.979 3.296 1.00 0.00 N ATOM 587 CA VAL A 36 2.716 14.745 1.875 1.00 0.00 C ATOM 588 C VAL A 36 3.789 15.475 1.034 1.00 0.00 C ATOM 589 O VAL A 36 4.175 16.600 1.373 1.00 0.00 O ATOM 590 CB VAL A 36 1.300 15.276 1.540 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.112 16.777 1.764 1.00 0.00 C ATOM 592 CG2 VAL A 36 0.895 14.955 0.091 1.00 0.00 C ATOM 0 H VAL A 36 2.768 15.909 3.623 1.00 0.00 H new ATOM 0 HA VAL A 36 2.724 13.678 1.652 1.00 0.00 H new ATOM 0 HB VAL A 36 0.656 14.752 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.092 17.059 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.298 17.015 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.812 17.329 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.104 15.345 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.604 15.417 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.898 13.875 -0.057 1.00 0.00 H new ATOM 602 N PRO A 37 4.368 14.831 0.001 1.00 0.00 N ATOM 603 CA PRO A 37 5.390 15.453 -0.866 1.00 0.00 C ATOM 604 C PRO A 37 4.786 16.458 -1.844 1.00 0.00 C ATOM 605 O PRO A 37 4.466 16.088 -2.967 1.00 0.00 O ATOM 606 CB PRO A 37 6.044 14.271 -1.591 1.00 0.00 C ATOM 607 CG PRO A 37 4.948 13.209 -1.650 1.00 0.00 C ATOM 608 CD PRO A 37 4.187 13.422 -0.348 1.00 0.00 C ATOM 0 HA PRO A 37 6.111 16.035 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.378 14.553 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.920 13.909 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.304 13.343 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.364 12.204 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.131 13.183 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.571 12.773 0.439 1.00 0.00 H new ATOM 616 N VAL A 38 4.155 17.514 -1.340 1.00 0.00 N ATOM 617 CA VAL A 38 3.779 18.719 -2.088 1.00 0.00 C ATOM 618 C VAL A 38 2.255 18.634 -1.980 1.00 0.00 C ATOM 619 O VAL A 38 1.730 17.626 -2.438 1.00 0.00 O ATOM 620 CB VAL A 38 4.438 19.080 -3.437 1.00 0.00 C ATOM 621 CG1 VAL A 38 3.860 20.396 -3.987 1.00 0.00 C ATOM 622 CG2 VAL A 38 5.956 19.279 -3.272 1.00 0.00 C ATOM 0 H VAL A 38 3.878 17.560 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 38 4.220 19.626 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 38 4.237 18.256 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.337 20.634 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.786 20.287 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.047 21.201 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.397 19.532 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.142 20.087 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.405 18.359 -2.898 1.00 0.00 H new ATOM 632 N GLN A 39 1.519 19.645 -1.564 1.00 0.00 N ATOM 633 CA GLN A 39 0.056 19.529 -1.493 1.00 0.00 C ATOM 634 C GLN A 39 -0.547 19.901 -2.854 1.00 0.00 C ATOM 635 O GLN A 39 -1.508 19.273 -3.246 1.00 0.00 O ATOM 636 CB GLN A 39 -0.468 20.501 -0.420 1.00 0.00 C ATOM 637 CG GLN A 39 -1.192 19.826 0.748 1.00 0.00 C ATOM 638 CD GLN A 39 -2.653 19.517 0.455 1.00 0.00 C ATOM 639 OE1 GLN A 39 -3.496 20.388 0.490 1.00 0.00 O ATOM 640 NE2 GLN A 39 -3.000 18.260 0.227 1.00 0.00 N ATOM 0 H GLN A 39 1.892 20.548 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.225 18.507 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.371 21.076 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.148 21.211 -0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.676 18.900 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.133 20.472 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.287 17.531 0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.980 18.020 0.080 1.00 0.00 H new ATOM 649 N ASP A 40 0.007 20.951 -3.486 1.00 0.00 N ATOM 650 CA ASP A 40 -0.231 21.355 -4.890 1.00 0.00 C ATOM 651 C ASP A 40 0.828 22.397 -5.295 1.00 0.00 C ATOM 652 O ASP A 40 1.418 22.384 -6.376 1.00 0.00 O ATOM 653 CB ASP A 40 -1.631 21.982 -5.001 1.00 0.00 C ATOM 654 CG ASP A 40 -2.541 21.254 -5.993 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.308 21.472 -7.196 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.563 20.699 -5.517 1.00 0.00 O ATOM 0 H ASP A 40 0.664 21.572 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.165 20.487 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.102 21.981 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.532 23.024 -5.306 1.00 0.00 H new ATOM 661 N GLN A 41 1.204 23.270 -4.350 1.00 0.00 N ATOM 662 CA GLN A 41 1.937 24.497 -4.615 1.00 0.00 C ATOM 663 C GLN A 41 2.777 24.802 -3.365 1.00 0.00 C ATOM 664 O GLN A 41 2.245 25.104 -2.285 1.00 0.00 O ATOM 665 CB GLN A 41 0.919 25.620 -4.970 1.00 0.00 C ATOM 666 CG GLN A 41 1.432 26.668 -5.997 1.00 0.00 C ATOM 667 CD GLN A 41 1.052 28.101 -5.637 1.00 0.00 C ATOM 668 OE1 GLN A 41 0.232 28.734 -6.268 1.00 0.00 O ATOM 669 NE2 GLN A 41 1.559 28.638 -4.548 1.00 0.00 N ATOM 0 H GLN A 41 0.998 23.131 -3.361 1.00 0.00 H new ATOM 0 HA GLN A 41 2.614 24.413 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.014 25.158 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.638 26.139 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.517 26.594 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.030 26.429 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.250 28.125 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.261 29.567 -4.251 1.00 0.00 H new ATOM 678 N VAL A 42 4.100 24.792 -3.499 1.00 0.00 N ATOM 679 CA VAL A 42 5.047 24.967 -2.384 1.00 0.00 C ATOM 680 C VAL A 42 6.107 25.980 -2.809 1.00 0.00 C ATOM 681 O VAL A 42 6.562 26.011 -3.949 1.00 0.00 O ATOM 682 CB VAL A 42 5.802 23.678 -1.921 1.00 0.00 C ATOM 683 CG1 VAL A 42 4.887 22.725 -1.122 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.564 22.911 -3.022 1.00 0.00 C ATOM 0 H VAL A 42 4.560 24.660 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 42 4.436 25.286 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 42 6.580 24.066 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.454 21.844 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.514 23.237 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.046 22.420 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.049 22.037 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.864 22.592 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.318 23.562 -3.463 1.00 0.00 H new ATOM 694 N LEU A 43 6.686 26.666 -1.832 1.00 0.00 N ATOM 695 CA LEU A 43 7.567 27.800 -2.098 1.00 0.00 C ATOM 696 C LEU A 43 8.907 27.336 -1.517 1.00 0.00 C ATOM 697 O LEU A 43 8.981 26.476 -0.635 1.00 0.00 O ATOM 698 CB LEU A 43 7.019 29.091 -1.403 1.00 0.00 C ATOM 699 CG LEU A 43 7.442 30.444 -2.050 1.00 0.00 C ATOM 700 CD1 LEU A 43 6.438 31.564 -1.772 1.00 0.00 C ATOM 701 CD2 LEU A 43 8.785 31.001 -1.550 1.00 0.00 C ATOM 0 H LEU A 43 6.561 26.456 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 43 7.650 28.067 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.930 29.040 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.348 29.089 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 43 7.504 30.185 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.780 32.485 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.464 31.288 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.354 31.718 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.998 31.944 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.731 31.169 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.579 30.286 -1.767 1.00 0.00 H new ATOM 713 N LEU A 44 9.988 27.958 -1.949 1.00 0.00 N ATOM 714 CA LEU A 44 11.353 27.509 -1.707 1.00 0.00 C ATOM 715 C LEU A 44 12.083 28.837 -1.479 1.00 0.00 C ATOM 716 O LEU A 44 11.993 29.785 -2.250 1.00 0.00 O ATOM 717 CB LEU A 44 12.083 26.795 -2.900 1.00 0.00 C ATOM 718 CG LEU A 44 11.468 25.707 -3.806 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.871 24.526 -3.049 1.00 0.00 C ATOM 720 CD2 LEU A 44 10.440 26.232 -4.795 1.00 0.00 C ATOM 0 H LEU A 44 9.942 28.818 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 44 11.348 26.768 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.405 27.592 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.984 26.353 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 44 12.333 25.351 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.461 23.808 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.648 24.045 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.077 24.879 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.056 25.406 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.618 26.699 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.907 26.968 -5.449 1.00 0.00 H new ATOM 732 N LEU A 45 12.817 28.937 -0.360 1.00 0.00 N ATOM 733 CA LEU A 45 13.371 30.235 0.075 1.00 0.00 C ATOM 734 C LEU A 45 14.386 29.958 1.187 1.00 0.00 C ATOM 735 O LEU A 45 14.064 29.604 2.320 1.00 0.00 O ATOM 736 CB LEU A 45 12.262 31.182 0.632 1.00 0.00 C ATOM 737 CG LEU A 45 12.361 32.669 0.215 1.00 0.00 C ATOM 738 CD1 LEU A 45 11.312 33.470 0.995 1.00 0.00 C ATOM 739 CD2 LEU A 45 13.741 33.289 0.498 1.00 0.00 C ATOM 0 H LEU A 45 13.040 28.152 0.252 1.00 0.00 H new ATOM 0 HA LEU A 45 13.830 30.728 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.293 30.800 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.281 31.129 1.721 1.00 0.00 H new ATOM 0 HG LEU A 45 12.195 32.709 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.371 34.521 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.318 33.087 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.501 33.373 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.743 34.332 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.953 33.233 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.506 32.742 -0.053 1.00 0.00 H new ATOM 751 N GLY A 46 15.670 30.074 0.811 1.00 0.00 N ATOM 752 CA GLY A 46 16.801 29.759 1.691 1.00 0.00 C ATOM 753 C GLY A 46 17.053 28.259 1.832 1.00 0.00 C ATOM 754 O GLY A 46 17.230 27.782 2.950 1.00 0.00 O ATOM 0 H GLY A 46 15.951 30.391 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.700 30.237 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.615 30.184 2.677 1.00 0.00 H new ATOM 758 N SER A 47 17.034 27.521 0.724 1.00 0.00 N ATOM 759 CA SER A 47 17.222 26.057 0.652 1.00 0.00 C ATOM 760 C SER A 47 16.220 25.196 1.435 1.00 0.00 C ATOM 761 O SER A 47 16.408 23.988 1.578 1.00 0.00 O ATOM 762 CB SER A 47 18.670 25.664 1.001 1.00 0.00 C ATOM 763 OG SER A 47 19.591 26.524 0.372 1.00 0.00 O ATOM 0 H SER A 47 16.881 27.937 -0.194 1.00 0.00 H new ATOM 0 HA SER A 47 17.009 25.825 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 47 18.811 25.702 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.857 24.636 0.691 1.00 0.00 H new ATOM 0 HG SER A 47 20.503 26.256 0.609 1.00 0.00 H new ATOM 769 N LYS A 48 15.100 25.775 1.865 1.00 0.00 N ATOM 770 CA LYS A 48 14.070 25.124 2.691 1.00 0.00 C ATOM 771 C LYS A 48 12.698 25.469 2.105 1.00 0.00 C ATOM 772 O LYS A 48 12.555 26.458 1.381 1.00 0.00 O ATOM 773 CB LYS A 48 14.187 25.622 4.163 1.00 0.00 C ATOM 774 CG LYS A 48 13.913 27.126 4.340 1.00 0.00 C ATOM 775 CD LYS A 48 14.104 27.653 5.758 1.00 0.00 C ATOM 776 CE LYS A 48 13.504 29.067 5.830 1.00 0.00 C ATOM 777 NZ LYS A 48 13.957 29.813 7.039 1.00 0.00 N ATOM 0 H LYS A 48 14.872 26.744 1.643 1.00 0.00 H new ATOM 0 HA LYS A 48 14.203 24.042 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.487 25.061 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.188 25.400 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.570 27.681 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.890 27.333 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.615 26.996 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.163 27.676 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.784 29.624 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.416 28.998 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.527 30.760 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.668 29.297 7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.993 29.903 7.023 1.00 0.00 H new ATOM 791 N ILE A 49 11.664 24.776 2.559 1.00 0.00 N ATOM 792 CA ILE A 49 10.337 24.950 1.964 1.00 0.00 C ATOM 793 C ILE A 49 9.679 26.009 2.847 1.00 0.00 C ATOM 794 O ILE A 49 9.699 25.965 4.072 1.00 0.00 O ATOM 795 CB ILE A 49 9.478 23.640 2.008 1.00 0.00 C ATOM 796 CG1 ILE A 49 10.062 22.430 1.256 1.00 0.00 C ATOM 797 CG2 ILE A 49 8.035 23.895 1.526 1.00 0.00 C ATOM 798 CD1 ILE A 49 10.227 22.626 -0.252 1.00 0.00 C ATOM 0 H ILE A 49 11.710 24.100 3.321 1.00 0.00 H new ATOM 0 HA ILE A 49 10.413 25.222 0.911 1.00 0.00 H new ATOM 0 HB ILE A 49 9.488 23.366 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.035 22.189 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.416 21.569 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.467 22.966 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.563 24.639 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.054 24.261 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.645 21.721 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.255 22.833 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.899 23.464 -0.439 1.00 0.00 H new ATOM 810 N LEU A 50 9.021 26.940 2.164 1.00 0.00 N ATOM 811 CA LEU A 50 8.325 28.076 2.756 1.00 0.00 C ATOM 812 C LEU A 50 6.843 27.787 2.492 1.00 0.00 C ATOM 813 O LEU A 50 6.424 27.288 1.449 1.00 0.00 O ATOM 814 CB LEU A 50 8.732 29.410 2.057 1.00 0.00 C ATOM 815 CG LEU A 50 9.551 30.424 2.878 1.00 0.00 C ATOM 816 CD1 LEU A 50 8.693 31.145 3.911 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.758 29.800 3.576 1.00 0.00 C ATOM 0 H LEU A 50 8.956 26.923 1.146 1.00 0.00 H new ATOM 0 HA LEU A 50 8.561 28.192 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.305 29.160 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.821 29.906 1.723 1.00 0.00 H new ATOM 0 HG LEU A 50 9.920 31.144 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.310 31.851 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.891 31.684 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.263 30.417 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.291 30.568 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.420 29.021 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.425 29.366 2.831 1.00 0.00 H new ATOM 829 N LYS A 51 6.024 28.249 3.433 1.00 0.00 N ATOM 830 CA LYS A 51 4.563 28.054 3.453 1.00 0.00 C ATOM 831 C LYS A 51 3.937 29.389 3.030 1.00 0.00 C ATOM 832 O LYS A 51 3.087 29.347 2.145 1.00 0.00 O ATOM 833 CB LYS A 51 4.088 27.608 4.864 1.00 0.00 C ATOM 834 CG LYS A 51 2.615 27.877 5.223 1.00 0.00 C ATOM 835 CD LYS A 51 1.606 27.129 4.344 1.00 0.00 C ATOM 836 CE LYS A 51 0.182 27.223 4.933 1.00 0.00 C ATOM 837 NZ LYS A 51 -0.613 28.343 4.394 1.00 0.00 N ATOM 0 H LYS A 51 6.362 28.787 4.231 1.00 0.00 H new ATOM 0 HA LYS A 51 4.256 27.263 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.270 26.538 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.714 28.106 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.450 27.598 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.424 28.947 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.615 27.547 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.899 26.083 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.344 26.289 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.253 27.328 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.555 28.343 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.133 29.242 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.712 28.235 3.364 1.00 0.00 H new ATOM 851 N PRO A 52 4.257 30.560 3.606 1.00 0.00 N ATOM 852 CA PRO A 52 3.712 31.834 3.138 1.00 0.00 C ATOM 853 C PRO A 52 4.401 32.313 1.833 1.00 0.00 C ATOM 854 O PRO A 52 5.410 31.756 1.416 1.00 0.00 O ATOM 855 CB PRO A 52 3.964 32.805 4.297 1.00 0.00 C ATOM 856 CG PRO A 52 5.306 32.321 4.838 1.00 0.00 C ATOM 857 CD PRO A 52 5.154 30.806 4.729 1.00 0.00 C ATOM 0 HA PRO A 52 2.655 31.757 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.011 33.840 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.178 32.752 5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.144 32.692 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.473 32.643 5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.121 30.330 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.746 30.390 5.650 1.00 0.00 H new ATOM 865 N ARG A 53 3.956 33.454 1.320 1.00 0.00 N ATOM 866 CA ARG A 53 4.267 34.013 -0.001 1.00 0.00 C ATOM 867 C ARG A 53 5.005 35.353 0.127 1.00 0.00 C ATOM 868 O ARG A 53 4.589 36.365 -0.406 1.00 0.00 O ATOM 869 CB ARG A 53 3.087 34.052 -0.989 1.00 0.00 C ATOM 870 CG ARG A 53 2.364 32.703 -1.187 1.00 0.00 C ATOM 871 CD ARG A 53 0.873 32.772 -0.803 1.00 0.00 C ATOM 872 NE ARG A 53 0.688 33.089 0.623 1.00 0.00 N ATOM 873 CZ ARG A 53 -0.444 33.093 1.293 1.00 0.00 C ATOM 874 NH1 ARG A 53 -1.577 32.762 0.753 1.00 0.00 N ATOM 875 NH2 ARG A 53 -0.448 33.408 2.572 1.00 0.00 N ATOM 0 H ARG A 53 3.325 34.058 1.847 1.00 0.00 H new ATOM 0 HA ARG A 53 4.949 33.304 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.363 34.788 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.452 34.398 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.454 32.395 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.856 31.939 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.376 33.528 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.396 31.818 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 53 1.528 33.332 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.613 32.485 -0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.432 32.779 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.425 33.648 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.325 33.412 3.094 1.00 0.00 H new ATOM 889 N ARG A 54 5.941 35.421 1.079 1.00 0.00 N ATOM 890 CA ARG A 54 6.556 36.646 1.618 1.00 0.00 C ATOM 891 C ARG A 54 8.046 36.444 1.883 1.00 0.00 C ATOM 892 O ARG A 54 8.506 35.292 1.896 1.00 0.00 O ATOM 893 CB ARG A 54 5.885 36.986 2.969 1.00 0.00 C ATOM 894 CG ARG A 54 4.408 37.404 2.878 1.00 0.00 C ATOM 895 CD ARG A 54 3.644 37.117 4.181 1.00 0.00 C ATOM 896 NE ARG A 54 4.293 37.678 5.382 1.00 0.00 N ATOM 897 CZ ARG A 54 4.310 38.951 5.747 1.00 0.00 C ATOM 898 NH1 ARG A 54 3.702 39.870 5.058 1.00 0.00 N ATOM 899 NH2 ARG A 54 4.942 39.294 6.833 1.00 0.00 N ATOM 0 H ARG A 54 6.312 34.580 1.520 1.00 0.00 H new ATOM 0 HA ARG A 54 6.423 37.444 0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.961 36.117 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.446 37.792 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.346 38.468 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.931 36.872 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.636 37.524 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.543 36.039 4.303 1.00 0.00 H new ATOM 0 HE ARG A 54 4.777 37.019 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.193 39.619 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.733 40.842 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.417 38.585 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.962 40.271 7.124 1.00 0.00 H new ATOM 913 N SER A 55 8.768 37.509 2.256 1.00 0.00 N ATOM 914 CA SER A 55 10.226 37.340 2.430 1.00 0.00 C ATOM 915 C SER A 55 10.480 36.984 3.906 1.00 0.00 C ATOM 916 O SER A 55 9.546 36.742 4.676 1.00 0.00 O ATOM 917 CB SER A 55 10.847 38.751 2.120 1.00 0.00 C ATOM 918 OG SER A 55 10.341 39.788 2.964 1.00 0.00 O ATOM 0 H SER A 55 8.401 38.444 2.435 1.00 0.00 H new ATOM 0 HA SER A 55 10.649 36.565 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.930 38.697 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.647 39.008 1.080 1.00 0.00 H new ATOM 0 HG SER A 55 10.764 40.639 2.726 1.00 0.00 H new ATOM 924 N LEU A 56 11.715 37.184 4.381 1.00 0.00 N ATOM 925 CA LEU A 56 12.169 36.667 5.679 1.00 0.00 C ATOM 926 C LEU A 56 12.164 37.788 6.701 1.00 0.00 C ATOM 927 O LEU A 56 11.942 37.530 7.874 1.00 0.00 O ATOM 928 CB LEU A 56 13.570 36.023 5.629 1.00 0.00 C ATOM 929 CG LEU A 56 13.835 34.998 4.517 1.00 0.00 C ATOM 930 CD1 LEU A 56 15.275 34.490 4.663 1.00 0.00 C ATOM 931 CD2 LEU A 56 12.870 33.811 4.525 1.00 0.00 C ATOM 0 H LEU A 56 12.429 37.709 3.876 1.00 0.00 H new ATOM 0 HA LEU A 56 11.472 35.879 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.305 36.822 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.752 35.536 6.587 1.00 0.00 H new ATOM 0 HG LEU A 56 13.679 35.505 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.484 33.760 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.967 35.327 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.398 34.022 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.122 33.132 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.950 33.283 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.849 34.171 4.395 1.00 0.00 H new ATOM 943 N SER A 57 12.170 39.047 6.243 1.00 0.00 N ATOM 944 CA SER A 57 12.579 40.253 6.987 1.00 0.00 C ATOM 945 C SER A 57 13.605 40.125 8.142 1.00 0.00 C ATOM 946 O SER A 57 13.604 40.866 9.108 1.00 0.00 O ATOM 947 CB SER A 57 11.201 40.737 7.486 1.00 0.00 C ATOM 948 OG SER A 57 11.228 41.985 8.123 1.00 0.00 O ATOM 0 H SER A 57 11.874 39.267 5.292 1.00 0.00 H new ATOM 0 HA SER A 57 13.156 40.920 6.346 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.518 40.789 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.797 39.997 8.177 1.00 0.00 H new ATOM 0 HG SER A 57 12.040 42.057 8.667 1.00 0.00 H new ATOM 954 N SER A 58 14.454 39.084 8.085 1.00 0.00 N ATOM 955 CA SER A 58 15.630 38.918 8.961 1.00 0.00 C ATOM 956 C SER A 58 16.570 40.121 9.151 1.00 0.00 C ATOM 957 O SER A 58 17.250 40.174 10.175 1.00 0.00 O ATOM 958 CB SER A 58 16.472 37.705 8.539 1.00 0.00 C ATOM 959 OG SER A 58 15.647 36.579 8.298 1.00 0.00 O ATOM 0 H SER A 58 14.341 38.321 7.418 1.00 0.00 H new ATOM 0 HA SER A 58 15.157 38.781 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.039 37.945 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.196 37.470 9.319 1.00 0.00 H new ATOM 0 HG SER A 58 16.203 35.818 8.029 1.00 0.00 H new ATOM 965 N TYR A 59 16.603 41.080 8.218 1.00 0.00 N ATOM 966 CA TYR A 59 17.512 42.237 8.275 1.00 0.00 C ATOM 967 C TYR A 59 16.661 43.505 8.437 1.00 0.00 C ATOM 968 O TYR A 59 16.971 44.331 9.287 1.00 0.00 O ATOM 969 CB TYR A 59 18.332 42.333 6.963 1.00 0.00 C ATOM 970 CG TYR A 59 19.531 43.261 7.078 1.00 0.00 C ATOM 971 CD1 TYR A 59 20.759 42.752 7.529 1.00 0.00 C ATOM 972 CD2 TYR A 59 19.420 44.631 6.753 1.00 0.00 C ATOM 973 CE1 TYR A 59 21.874 43.602 7.676 1.00 0.00 C ATOM 974 CE2 TYR A 59 20.535 45.481 6.900 1.00 0.00 C ATOM 975 CZ TYR A 59 21.761 44.971 7.372 1.00 0.00 C ATOM 976 OH TYR A 59 22.834 45.792 7.525 1.00 0.00 O ATOM 0 H TYR A 59 15.998 41.078 7.397 1.00 0.00 H new ATOM 0 HA TYR A 59 18.202 42.128 9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.676 41.337 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.683 42.684 6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.850 41.702 7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.482 45.027 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.816 43.202 8.022 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.449 46.528 6.650 1.00 0.00 H new ATOM 0 HH TYR A 59 22.586 46.705 7.270 1.00 0.00 H new ATOM 986 N GLY A 60 15.541 43.607 7.725 1.00 0.00 N ATOM 987 CA GLY A 60 14.557 44.679 7.853 1.00 0.00 C ATOM 988 C GLY A 60 13.677 44.786 6.607 1.00 0.00 C ATOM 989 O GLY A 60 13.976 44.168 5.585 1.00 0.00 O ATOM 0 H GLY A 60 15.284 42.919 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.931 44.497 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.070 45.626 8.020 1.00 0.00 H new ATOM 993 N ILE A 61 12.749 45.729 6.617 1.00 0.00 N ATOM 994 CA ILE A 61 11.781 45.935 5.517 1.00 0.00 C ATOM 995 C ILE A 61 11.933 47.418 5.194 1.00 0.00 C ATOM 996 O ILE A 61 12.031 48.268 6.079 1.00 0.00 O ATOM 997 CB ILE A 61 10.272 45.684 5.903 1.00 0.00 C ATOM 998 CG1 ILE A 61 10.022 44.355 6.653 1.00 0.00 C ATOM 999 CG2 ILE A 61 9.392 45.701 4.626 1.00 0.00 C ATOM 1000 CD1 ILE A 61 8.568 44.081 7.104 1.00 0.00 C ATOM 0 H ILE A 61 12.634 46.386 7.389 1.00 0.00 H new ATOM 0 HA ILE A 61 11.992 45.234 4.709 1.00 0.00 H new ATOM 0 HB ILE A 61 10.006 46.491 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.340 43.535 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.662 44.335 7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.351 45.527 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.481 46.670 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.724 44.918 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.521 43.121 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.242 44.871 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.915 44.058 6.232 1.00 0.00 H new ATOM 1012 N ASP A 62 11.804 47.757 3.917 1.00 0.00 N ATOM 1013 CA ASP A 62 12.136 49.079 3.403 1.00 0.00 C ATOM 1014 C ASP A 62 10.804 49.662 2.895 1.00 0.00 C ATOM 1015 O ASP A 62 9.727 49.299 3.372 1.00 0.00 O ATOM 1016 CB ASP A 62 13.134 48.979 2.201 1.00 0.00 C ATOM 1017 CG ASP A 62 14.416 48.221 2.501 1.00 0.00 C ATOM 1018 OD1 ASP A 62 15.232 48.826 3.224 1.00 0.00 O ATOM 1019 OD2 ASP A 62 14.579 47.127 1.942 1.00 0.00 O ATOM 0 H ASP A 62 11.462 47.115 3.202 1.00 0.00 H new ATOM 0 HA ASP A 62 12.606 49.691 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.628 48.494 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.392 49.987 1.876 1.00 0.00 H new ATOM 1024 N LYS A 63 10.812 50.464 1.837 1.00 0.00 N ATOM 1025 CA LYS A 63 9.611 51.173 1.371 1.00 0.00 C ATOM 1026 C LYS A 63 8.975 50.188 0.374 1.00 0.00 C ATOM 1027 O LYS A 63 9.429 49.049 0.206 1.00 0.00 O ATOM 1028 CB LYS A 63 10.122 52.397 0.568 1.00 0.00 C ATOM 1029 CG LYS A 63 10.195 53.679 1.409 1.00 0.00 C ATOM 1030 CD LYS A 63 11.223 54.685 0.870 1.00 0.00 C ATOM 1031 CE LYS A 63 12.657 54.311 1.289 1.00 0.00 C ATOM 1032 NZ LYS A 63 12.890 54.577 2.735 1.00 0.00 N ATOM 0 H LYS A 63 11.644 50.645 1.275 1.00 0.00 H new ATOM 0 HA LYS A 63 8.928 51.483 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.111 52.175 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.464 52.565 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.212 54.149 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.450 53.420 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.160 54.723 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.984 55.683 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.835 53.256 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.371 54.880 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.907 54.510 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.551 55.531 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.375 53.876 3.304 1.00 0.00 H new ATOM 1046 N GLU A 64 8.053 50.627 -0.447 1.00 0.00 N ATOM 1047 CA GLU A 64 7.222 49.702 -1.207 1.00 0.00 C ATOM 1048 C GLU A 64 8.085 49.385 -2.433 1.00 0.00 C ATOM 1049 O GLU A 64 8.572 50.248 -3.174 1.00 0.00 O ATOM 1050 CB GLU A 64 5.920 50.434 -1.670 1.00 0.00 C ATOM 1051 CG GLU A 64 6.077 51.881 -2.194 1.00 0.00 C ATOM 1052 CD GLU A 64 5.316 52.116 -3.509 1.00 0.00 C ATOM 1053 OE1 GLU A 64 5.831 51.654 -4.562 1.00 0.00 O ATOM 1054 OE2 GLU A 64 4.256 52.752 -3.464 1.00 0.00 O ATOM 0 H GLU A 64 7.853 51.614 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 64 6.926 48.819 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.457 49.837 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.224 50.451 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.715 52.579 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.135 52.096 -2.346 1.00 0.00 H new ATOM 1061 N LYS A 65 8.372 48.090 -2.576 1.00 0.00 N ATOM 1062 CA LYS A 65 9.377 47.533 -3.485 1.00 0.00 C ATOM 1063 C LYS A 65 8.897 46.142 -3.876 1.00 0.00 C ATOM 1064 O LYS A 65 8.155 45.495 -3.140 1.00 0.00 O ATOM 1065 CB LYS A 65 10.799 47.375 -2.832 1.00 0.00 C ATOM 1066 CG LYS A 65 11.480 48.669 -2.348 1.00 0.00 C ATOM 1067 CD LYS A 65 12.831 48.950 -3.037 1.00 0.00 C ATOM 1068 CE LYS A 65 13.429 50.255 -2.508 1.00 0.00 C ATOM 1069 NZ LYS A 65 12.684 51.444 -3.012 1.00 0.00 N ATOM 0 H LYS A 65 7.890 47.369 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 65 9.482 48.218 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.711 46.697 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.456 46.894 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.810 49.510 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.637 48.606 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.520 48.125 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.691 49.016 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.411 50.249 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.474 50.325 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.202 52.310 -2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.591 51.383 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.738 51.470 -2.580 1.00 0.00 H new ATOM 1083 N THR A 66 9.472 45.619 -4.937 1.00 0.00 N ATOM 1084 CA THR A 66 9.030 44.351 -5.523 1.00 0.00 C ATOM 1085 C THR A 66 10.118 43.355 -5.111 1.00 0.00 C ATOM 1086 O THR A 66 11.233 43.730 -4.732 1.00 0.00 O ATOM 1087 CB THR A 66 8.944 44.423 -7.073 1.00 0.00 C ATOM 1088 OG1 THR A 66 8.566 43.162 -7.574 1.00 0.00 O ATOM 1089 CG2 THR A 66 10.242 44.826 -7.813 1.00 0.00 C ATOM 0 H THR A 66 10.257 46.051 -5.424 1.00 0.00 H new ATOM 0 HA THR A 66 8.032 44.078 -5.180 1.00 0.00 H new ATOM 0 HB THR A 66 8.218 45.213 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.404 43.228 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.058 44.842 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.556 45.817 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.027 44.104 -7.590 1.00 0.00 H new ATOM 1097 N ILE A 67 9.820 42.074 -5.196 1.00 0.00 N ATOM 1098 CA ILE A 67 10.591 40.972 -4.618 1.00 0.00 C ATOM 1099 C ILE A 67 10.348 39.796 -5.549 1.00 0.00 C ATOM 1100 O ILE A 67 9.309 39.695 -6.199 1.00 0.00 O ATOM 1101 CB ILE A 67 10.164 40.514 -3.173 1.00 0.00 C ATOM 1102 CG1 ILE A 67 8.772 40.948 -2.635 1.00 0.00 C ATOM 1103 CG2 ILE A 67 11.280 40.796 -2.144 1.00 0.00 C ATOM 1104 CD1 ILE A 67 8.711 42.337 -1.993 1.00 0.00 C ATOM 0 H ILE A 67 8.992 41.748 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 67 11.623 41.308 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 67 10.024 39.442 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.059 40.917 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.442 40.214 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.955 40.469 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.182 40.254 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.492 41.865 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.695 42.536 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.392 42.375 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.003 43.090 -2.726 1.00 0.00 H new ATOM 1116 N HIS A 68 11.254 38.833 -5.531 1.00 0.00 N ATOM 1117 CA HIS A 68 11.264 37.741 -6.482 1.00 0.00 C ATOM 1118 C HIS A 68 11.861 36.571 -5.728 1.00 0.00 C ATOM 1119 O HIS A 68 12.991 36.604 -5.253 1.00 0.00 O ATOM 1120 CB HIS A 68 12.089 38.057 -7.780 1.00 0.00 C ATOM 1121 CG HIS A 68 11.697 37.261 -9.017 1.00 0.00 C ATOM 1122 ND1 HIS A 68 12.052 37.608 -10.328 1.00 0.00 N ATOM 1123 CD2 HIS A 68 10.861 36.182 -9.087 1.00 0.00 C ATOM 1124 CE1 HIS A 68 11.397 36.770 -11.143 1.00 0.00 C ATOM 1125 NE2 HIS A 68 10.669 35.893 -10.420 1.00 0.00 N ATOM 0 H HIS A 68 12.010 38.789 -4.848 1.00 0.00 H new ATOM 0 HA HIS A 68 10.256 37.539 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.986 39.119 -8.005 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.144 37.876 -7.572 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.430 35.653 -8.250 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.445 36.793 -12.222 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.081 35.148 -10.794 1.00 0.00 H new ATOM 1133 N LEU A 69 11.118 35.468 -5.702 1.00 0.00 N ATOM 1134 CA LEU A 69 11.346 34.325 -4.823 1.00 0.00 C ATOM 1135 C LEU A 69 11.089 33.108 -5.736 1.00 0.00 C ATOM 1136 O LEU A 69 10.634 33.242 -6.880 1.00 0.00 O ATOM 1137 CB LEU A 69 10.362 34.244 -3.593 1.00 0.00 C ATOM 1138 CG LEU A 69 9.806 35.536 -2.938 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.331 35.749 -3.263 1.00 0.00 C ATOM 1140 CD2 LEU A 69 9.905 35.513 -1.407 1.00 0.00 C ATOM 0 H LEU A 69 10.312 35.341 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 69 12.343 34.385 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.505 33.649 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.872 33.681 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 69 10.421 36.337 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.982 36.664 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.205 35.832 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.751 34.903 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.502 36.441 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.334 34.670 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.949 35.412 -1.111 1.00 0.00 H new ATOM 1152 N THR A 70 11.242 31.884 -5.246 1.00 0.00 N ATOM 1153 CA THR A 70 11.225 30.712 -6.121 1.00 0.00 C ATOM 1154 C THR A 70 10.106 29.847 -5.526 1.00 0.00 C ATOM 1155 O THR A 70 9.945 29.717 -4.317 1.00 0.00 O ATOM 1156 CB THR A 70 12.550 29.879 -6.159 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.125 29.670 -4.898 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.689 30.508 -6.977 1.00 0.00 C ATOM 0 H THR A 70 11.378 31.675 -4.257 1.00 0.00 H new ATOM 0 HA THR A 70 11.087 31.029 -7.155 1.00 0.00 H new ATOM 0 HB THR A 70 12.194 28.955 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.448 29.808 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.563 29.858 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.369 30.632 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.944 31.481 -6.557 1.00 0.00 H new ATOM 1166 N LEU A 71 9.303 29.264 -6.408 1.00 0.00 N ATOM 1167 CA LEU A 71 8.064 28.577 -6.029 1.00 0.00 C ATOM 1168 C LEU A 71 7.826 27.544 -7.138 1.00 0.00 C ATOM 1169 O LEU A 71 7.909 27.835 -8.310 1.00 0.00 O ATOM 1170 CB LEU A 71 6.844 29.554 -5.870 1.00 0.00 C ATOM 1171 CG LEU A 71 5.647 29.027 -5.044 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.697 30.121 -4.552 1.00 0.00 C ATOM 1173 CD2 LEU A 71 4.790 27.920 -5.658 1.00 0.00 C ATOM 0 H LEU A 71 9.489 29.252 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 71 8.161 28.112 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.201 30.474 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.484 29.817 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 71 6.197 28.580 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.886 29.669 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.243 30.818 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.285 30.657 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.991 27.653 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.357 28.272 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.410 27.045 -5.851 1.00 0.00 H new ATOM 1185 N LYS A 72 7.565 26.302 -6.748 1.00 0.00 N ATOM 1186 CA LYS A 72 7.441 25.163 -7.661 1.00 0.00 C ATOM 1187 C LYS A 72 6.167 24.465 -7.215 1.00 0.00 C ATOM 1188 O LYS A 72 5.993 24.116 -6.050 1.00 0.00 O ATOM 1189 CB LYS A 72 8.641 24.160 -7.551 1.00 0.00 C ATOM 1190 CG LYS A 72 8.542 22.982 -8.552 1.00 0.00 C ATOM 1191 CD LYS A 72 8.987 21.619 -7.993 1.00 0.00 C ATOM 1192 CE LYS A 72 10.461 21.605 -7.574 1.00 0.00 C ATOM 1193 NZ LYS A 72 10.850 20.274 -7.048 1.00 0.00 N ATOM 0 H LYS A 72 7.430 26.049 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 72 7.429 25.501 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.573 24.698 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.684 23.764 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.510 22.899 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.149 23.215 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.367 21.363 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.820 20.850 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.088 21.860 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.634 22.366 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.852 20.290 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.265 20.044 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.706 19.554 -7.784 1.00 0.00 H new ATOM 1207 N VAL A 73 5.393 24.003 -8.192 1.00 0.00 N ATOM 1208 CA VAL A 73 4.050 23.462 -7.979 1.00 0.00 C ATOM 1209 C VAL A 73 4.070 22.125 -8.734 1.00 0.00 C ATOM 1210 O VAL A 73 4.520 22.007 -9.866 1.00 0.00 O ATOM 1211 CB VAL A 73 2.866 24.351 -8.481 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.214 25.744 -9.042 1.00 0.00 C ATOM 1213 CG2 VAL A 73 1.921 23.695 -9.514 1.00 0.00 C ATOM 0 H VAL A 73 5.683 23.993 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 73 3.856 23.386 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 73 2.364 24.472 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.300 26.250 -9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.711 26.333 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.878 25.635 -9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.138 24.401 -9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.489 23.417 -10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.468 22.804 -9.079 1.00 0.00 H new ATOM 1223 N VAL A 74 3.785 21.076 -7.951 1.00 0.00 N ATOM 1224 CA VAL A 74 3.640 19.678 -8.398 1.00 0.00 C ATOM 1225 C VAL A 74 2.550 18.978 -7.578 1.00 0.00 C ATOM 1226 O VAL A 74 2.289 19.403 -6.456 1.00 0.00 O ATOM 1227 CB VAL A 74 4.957 18.854 -8.317 1.00 0.00 C ATOM 1228 CG1 VAL A 74 6.115 19.461 -9.124 1.00 0.00 C ATOM 1229 CG2 VAL A 74 5.479 18.602 -6.889 1.00 0.00 C ATOM 0 H VAL A 74 3.643 21.179 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 74 3.363 19.723 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 74 4.650 17.903 -8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.000 18.833 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.834 19.521 -10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.334 20.461 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.400 18.020 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.677 19.556 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.730 18.051 -6.320 1.00 0.00 H new ATOM 1239 N LYS A 75 2.047 17.851 -8.106 1.00 0.00 N ATOM 1240 CA LYS A 75 0.933 17.067 -7.550 1.00 0.00 C ATOM 1241 C LYS A 75 -0.298 17.922 -7.284 1.00 0.00 C ATOM 1242 O LYS A 75 -0.832 18.327 -8.348 1.00 0.00 O ATOM 1243 CB LYS A 75 1.394 16.231 -6.328 1.00 0.00 C ATOM 1244 CG LYS A 75 2.293 15.045 -6.705 1.00 0.00 C ATOM 1245 CD LYS A 75 1.488 13.908 -7.356 1.00 0.00 C ATOM 1246 CE LYS A 75 2.350 12.671 -7.646 1.00 0.00 C ATOM 1247 NZ LYS A 75 3.337 12.938 -8.713 1.00 0.00 N ATOM 0 H LYS A 75 2.419 17.445 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 75 0.615 16.349 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.931 16.879 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.516 15.859 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.070 15.381 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.796 14.671 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.664 13.628 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.046 14.266 -8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.869 12.366 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.709 11.840 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.880 12.073 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.842 13.238 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.985 13.691 -8.406 1.00 0.00 H new TER 1261 LYS A 75