USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot -154:sc= 0.548 USER MOD Set 1.2: A 108 SER OG : rot -99:sc= 0.462! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= -0.734 (180deg=-1.54!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0854 K(o=-0.085,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0935 (180deg=-0.725) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.016) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -35:sc= 0.371 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.492 (180deg=-2.03!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 26:sc= 0.0992 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.916! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 104:sc= 0.916 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -8:sc= -0.377! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.797 USER MOD Single : A 66 SER OG : rot -63:sc= 0.0245 USER MOD Single : A 68 CYS SG : rot 62:sc= 0.15 USER MOD Single : A 69 LYS NZ :NH3+ -122:sc= -1.42 (180deg=-3.81!) USER MOD Single : A 71 HIS : no HD1:sc= -1.04 K(o=-1,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 175:sc= 0 (180deg=-0.0097) USER MOD Single : A 107 CYS SG : rot 180:sc= -0.473 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.144 -20.989 27.171 1.00 0.00 N ATOM 2 CA GLY A 1 -7.555 -20.233 28.387 1.00 0.00 C ATOM 3 C GLY A 1 -7.517 -18.738 28.091 1.00 0.00 C ATOM 4 O GLY A 1 -8.521 -18.042 28.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.169 -22.009 27.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.797 -20.773 26.391 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.178 -20.713 26.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.559 -20.529 28.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.889 -20.468 29.217 1.00 0.00 H new ATOM 7 N LYS A 2 -6.358 -18.251 27.673 1.00 0.00 N ATOM 8 CA LYS A 2 -6.206 -16.835 27.358 1.00 0.00 C ATOM 9 C LYS A 2 -6.974 -16.476 26.097 1.00 0.00 C ATOM 10 O LYS A 2 -6.913 -17.185 25.096 1.00 0.00 O ATOM 11 CB LYS A 2 -4.711 -16.505 27.168 1.00 0.00 C ATOM 12 CG LYS A 2 -4.077 -16.093 28.510 1.00 0.00 C ATOM 13 CD LYS A 2 -4.291 -14.591 28.732 1.00 0.00 C ATOM 14 CE LYS A 2 -3.649 -14.175 30.049 1.00 0.00 C ATOM 15 NZ LYS A 2 -2.184 -14.432 29.980 1.00 0.00 N ATOM 0 H LYS A 2 -5.514 -18.809 27.544 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.609 -16.251 28.185 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.189 -17.372 26.763 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.599 -15.699 26.443 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.525 -16.660 29.326 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.012 -16.324 28.508 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.856 -14.025 27.908 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.357 -14.363 28.747 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.837 -13.119 30.242 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.090 -14.733 30.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.922 -15.141 30.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.938 -14.786 29.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.667 -13.548 30.164 1.00 0.00 H new ATOM 29 N LYS A 3 -7.697 -15.362 26.155 1.00 0.00 N ATOM 30 CA LYS A 3 -8.473 -14.896 25.009 1.00 0.00 C ATOM 31 C LYS A 3 -7.761 -13.738 24.317 1.00 0.00 C ATOM 32 O LYS A 3 -7.920 -13.531 23.114 1.00 0.00 O ATOM 33 CB LYS A 3 -9.854 -14.447 25.467 1.00 0.00 C ATOM 34 CG LYS A 3 -10.770 -14.314 24.249 1.00 0.00 C ATOM 35 CD LYS A 3 -12.137 -13.776 24.685 1.00 0.00 C ATOM 36 CE LYS A 3 -12.929 -14.866 25.420 1.00 0.00 C ATOM 37 NZ LYS A 3 -14.348 -14.448 25.541 1.00 0.00 N ATOM 0 H LYS A 3 -7.762 -14.766 26.980 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.575 -15.719 24.302 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.269 -15.168 26.172 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.784 -13.493 25.990 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.321 -13.643 23.517 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.888 -15.283 23.764 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.004 -12.912 25.336 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.696 -13.436 23.813 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.861 -15.809 24.877 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.503 -15.036 26.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.886 -15.186 26.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.403 -13.558 26.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.750 -14.307 24.592 1.00 0.00 H new ATOM 51 N VAL A 4 -6.981 -12.983 25.087 1.00 0.00 N ATOM 52 CA VAL A 4 -6.259 -11.843 24.545 1.00 0.00 C ATOM 53 C VAL A 4 -5.318 -12.287 23.442 1.00 0.00 C ATOM 54 O VAL A 4 -5.205 -11.626 22.410 1.00 0.00 O ATOM 55 CB VAL A 4 -5.466 -11.139 25.647 1.00 0.00 C ATOM 56 CG1 VAL A 4 -4.745 -9.924 25.064 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.422 -10.689 26.752 1.00 0.00 C ATOM 0 H VAL A 4 -6.835 -13.142 26.084 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.987 -11.145 24.131 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.730 -11.828 26.062 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.181 -9.424 25.851 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.063 -10.248 24.278 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.477 -9.232 24.647 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.859 -10.187 27.538 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.159 -10.001 26.338 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.931 -11.558 27.169 1.00 0.00 H new ATOM 67 N GLU A 5 -4.644 -13.400 23.676 1.00 0.00 N ATOM 68 CA GLU A 5 -3.704 -13.944 22.701 1.00 0.00 C ATOM 69 C GLU A 5 -2.626 -12.935 22.396 1.00 0.00 C ATOM 70 O GLU A 5 -2.582 -12.420 21.281 1.00 0.00 O ATOM 71 CB GLU A 5 -4.430 -14.299 21.396 1.00 0.00 C ATOM 72 CG GLU A 5 -5.377 -15.466 21.649 1.00 0.00 C ATOM 73 CD GLU A 5 -6.187 -15.759 20.391 1.00 0.00 C ATOM 74 OE1 GLU A 5 -6.001 -15.051 19.414 1.00 0.00 O ATOM 75 OE2 GLU A 5 -6.981 -16.682 20.424 1.00 0.00 O ATOM 0 H GLU A 5 -4.728 -13.948 24.532 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.258 -14.843 23.127 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.987 -13.436 21.030 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.707 -14.563 20.624 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.809 -16.350 21.941 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.046 -15.230 22.476 1.00 0.00 H new ATOM 82 N PHE A 6 -1.767 -12.653 23.396 1.00 0.00 N ATOM 83 CA PHE A 6 -0.669 -11.685 23.240 1.00 0.00 C ATOM 84 C PHE A 6 -0.368 -11.445 21.766 1.00 0.00 C ATOM 85 O PHE A 6 0.142 -12.334 21.085 1.00 0.00 O ATOM 86 CB PHE A 6 0.587 -12.210 23.938 1.00 0.00 C ATOM 87 CG PHE A 6 0.421 -12.099 25.432 1.00 0.00 C ATOM 88 CD1 PHE A 6 -0.149 -13.155 26.154 1.00 0.00 C ATOM 89 CD2 PHE A 6 0.842 -10.942 26.095 1.00 0.00 C ATOM 90 CE1 PHE A 6 -0.299 -13.051 27.541 1.00 0.00 C ATOM 91 CE2 PHE A 6 0.690 -10.838 27.483 1.00 0.00 C ATOM 92 CZ PHE A 6 0.119 -11.891 28.205 1.00 0.00 C ATOM 0 H PHE A 6 -1.815 -13.083 24.320 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.974 -10.742 23.693 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.763 -13.249 23.658 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.459 -11.641 23.616 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.472 -14.048 25.641 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.284 -10.130 25.537 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.737 -13.865 28.100 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.014 -9.945 27.996 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.000 -11.809 29.275 1.00 0.00 H new ATOM 102 N ASN A 7 -0.710 -10.250 21.278 1.00 0.00 N ATOM 103 CA ASN A 7 -0.501 -9.921 19.875 1.00 0.00 C ATOM 104 C ASN A 7 0.818 -10.507 19.379 1.00 0.00 C ATOM 105 O ASN A 7 0.858 -11.181 18.351 1.00 0.00 O ATOM 106 CB ASN A 7 -0.488 -8.402 19.705 1.00 0.00 C ATOM 107 CG ASN A 7 -1.906 -7.845 19.807 1.00 0.00 C ATOM 108 OD1 ASN A 7 -2.877 -8.598 19.724 1.00 0.00 O ATOM 109 ND2 ASN A 7 -2.082 -6.563 19.973 1.00 0.00 N ATOM 0 H ASN A 7 -1.129 -9.503 21.832 1.00 0.00 H new ATOM 0 HA ASN A 7 -1.313 -10.349 19.288 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.144 -7.949 20.469 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.056 -8.141 18.739 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.026 -6.182 20.034 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.276 -5.942 20.041 1.00 0.00 H new ATOM 116 N ASP A 8 1.887 -10.251 20.125 1.00 0.00 N ATOM 117 CA ASP A 8 3.200 -10.762 19.754 1.00 0.00 C ATOM 118 C ASP A 8 3.150 -12.276 19.601 1.00 0.00 C ATOM 119 O ASP A 8 2.849 -12.998 20.558 1.00 0.00 O ATOM 120 CB ASP A 8 4.221 -10.385 20.823 1.00 0.00 C ATOM 121 CG ASP A 8 4.464 -8.881 20.802 1.00 0.00 C ATOM 122 OD1 ASP A 8 4.133 -8.262 19.804 1.00 0.00 O ATOM 123 OD2 ASP A 8 4.970 -8.367 21.787 1.00 0.00 O ATOM 0 H ASP A 8 1.871 -9.698 20.982 1.00 0.00 H new ATOM 0 HA ASP A 8 3.495 -10.320 18.802 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.861 -10.690 21.806 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.157 -10.916 20.647 1.00 0.00 H new ATOM 128 N LYS A 9 3.440 -12.751 18.395 1.00 0.00 N ATOM 129 CA LYS A 9 3.413 -14.178 18.131 1.00 0.00 C ATOM 130 C LYS A 9 4.503 -14.903 18.925 1.00 0.00 C ATOM 131 O LYS A 9 5.599 -14.371 19.112 1.00 0.00 O ATOM 132 CB LYS A 9 3.611 -14.446 16.640 1.00 0.00 C ATOM 133 CG LYS A 9 4.952 -13.869 16.190 1.00 0.00 C ATOM 134 CD LYS A 9 4.998 -13.812 14.664 1.00 0.00 C ATOM 135 CE LYS A 9 6.367 -13.304 14.215 1.00 0.00 C ATOM 136 NZ LYS A 9 6.649 -11.995 14.864 1.00 0.00 N ATOM 0 H LYS A 9 3.694 -12.173 17.594 1.00 0.00 H new ATOM 0 HA LYS A 9 2.439 -14.556 18.443 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.581 -15.518 16.446 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.800 -13.996 16.068 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.088 -12.871 16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.769 -14.485 16.566 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.810 -14.801 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.213 -13.154 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.139 -14.027 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.389 -13.196 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.420 -11.515 14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.795 -11.402 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.929 -12.151 15.853 1.00 0.00 H new ATOM 150 N PRO A 10 4.236 -16.101 19.388 1.00 0.00 N ATOM 151 CA PRO A 10 5.225 -16.903 20.168 1.00 0.00 C ATOM 152 C PRO A 10 6.368 -17.418 19.298 1.00 0.00 C ATOM 153 O PRO A 10 6.166 -17.760 18.134 1.00 0.00 O ATOM 154 CB PRO A 10 4.386 -18.065 20.727 1.00 0.00 C ATOM 155 CG PRO A 10 3.254 -18.221 19.759 1.00 0.00 C ATOM 156 CD PRO A 10 2.966 -16.830 19.215 1.00 0.00 C ATOM 0 HA PRO A 10 5.713 -16.312 20.943 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.975 -18.980 20.798 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.021 -17.843 21.730 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.521 -18.906 18.954 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.375 -18.636 20.252 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.668 -16.867 18.167 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.154 -16.350 19.761 1.00 0.00 H new ATOM 164 N LYS A 11 7.565 -17.484 19.875 1.00 0.00 N ATOM 165 CA LYS A 11 8.733 -17.977 19.149 1.00 0.00 C ATOM 166 C LYS A 11 8.928 -19.464 19.412 1.00 0.00 C ATOM 167 O LYS A 11 9.067 -20.254 18.479 1.00 0.00 O ATOM 168 CB LYS A 11 9.979 -17.211 19.589 1.00 0.00 C ATOM 169 CG LYS A 11 9.889 -15.769 19.093 1.00 0.00 C ATOM 170 CD LYS A 11 11.145 -15.003 19.514 1.00 0.00 C ATOM 171 CE LYS A 11 11.094 -13.582 18.948 1.00 0.00 C ATOM 172 NZ LYS A 11 10.151 -12.760 19.760 1.00 0.00 N ATOM 0 H LYS A 11 7.752 -17.204 20.838 1.00 0.00 H new ATOM 0 HA LYS A 11 8.572 -17.824 18.082 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.066 -17.229 20.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.873 -17.689 19.190 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.787 -15.753 18.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.002 -15.287 19.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.216 -14.970 20.601 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.035 -15.518 19.152 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.089 -13.136 18.964 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.771 -13.604 17.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.178 -11.774 19.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.186 -13.134 19.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.430 -12.799 20.761 1.00 0.00 H new ATOM 186 N VAL A 12 8.932 -19.842 20.685 1.00 0.00 N ATOM 187 CA VAL A 12 9.106 -21.242 21.054 1.00 0.00 C ATOM 188 C VAL A 12 7.846 -22.041 20.740 1.00 0.00 C ATOM 189 O VAL A 12 7.401 -22.861 21.538 1.00 0.00 O ATOM 190 CB VAL A 12 9.428 -21.356 22.551 1.00 0.00 C ATOM 191 CG1 VAL A 12 8.276 -20.753 23.371 1.00 0.00 C ATOM 192 CG2 VAL A 12 9.636 -22.849 22.936 1.00 0.00 C ATOM 0 H VAL A 12 8.818 -19.205 21.473 1.00 0.00 H new ATOM 0 HA VAL A 12 9.934 -21.649 20.474 1.00 0.00 H new ATOM 0 HB VAL A 12 10.345 -20.808 22.767 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.505 -20.834 24.434 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.151 -19.703 23.106 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.354 -21.294 23.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.864 -22.922 23.999 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.727 -23.410 22.720 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.463 -23.262 22.358 1.00 0.00 H new ATOM 202 N ARG A 13 7.272 -21.799 19.571 1.00 0.00 N ATOM 203 CA ARG A 13 6.061 -22.507 19.171 1.00 0.00 C ATOM 204 C ARG A 13 5.913 -22.493 17.656 1.00 0.00 C ATOM 205 O ARG A 13 6.481 -21.639 16.976 1.00 0.00 O ATOM 206 CB ARG A 13 4.839 -21.850 19.819 1.00 0.00 C ATOM 207 CG ARG A 13 3.631 -22.781 19.703 1.00 0.00 C ATOM 208 CD ARG A 13 2.430 -22.154 20.406 1.00 0.00 C ATOM 209 NE ARG A 13 2.660 -22.100 21.846 1.00 0.00 N ATOM 210 CZ ARG A 13 1.762 -21.564 22.665 1.00 0.00 C ATOM 211 NH1 ARG A 13 0.652 -21.074 22.183 1.00 0.00 N ATOM 212 NH2 ARG A 13 1.988 -21.527 23.950 1.00 0.00 N ATOM 0 H ARG A 13 7.619 -21.126 18.888 1.00 0.00 H new ATOM 0 HA ARG A 13 6.134 -23.542 19.505 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.044 -21.633 20.867 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.625 -20.898 19.333 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.397 -22.961 18.654 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.861 -23.749 20.149 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.257 -21.149 20.020 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.532 -22.735 20.195 1.00 0.00 H new ATOM 0 HE ARG A 13 3.525 -22.480 22.230 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.475 -21.103 21.179 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.039 -20.662 22.811 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.855 -21.910 24.327 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.297 -21.115 24.578 1.00 0.00 H new ATOM 226 N LYS A 14 5.145 -23.443 17.131 1.00 0.00 N ATOM 227 CA LYS A 14 4.928 -23.525 15.692 1.00 0.00 C ATOM 228 C LYS A 14 4.039 -22.389 15.220 1.00 0.00 C ATOM 229 O LYS A 14 3.014 -22.086 15.836 1.00 0.00 O ATOM 230 CB LYS A 14 4.273 -24.855 15.338 1.00 0.00 C ATOM 231 CG LYS A 14 5.251 -25.996 15.625 1.00 0.00 C ATOM 232 CD LYS A 14 4.658 -27.321 15.136 1.00 0.00 C ATOM 233 CE LYS A 14 3.463 -27.718 16.013 1.00 0.00 C ATOM 234 NZ LYS A 14 3.169 -29.161 15.825 1.00 0.00 N ATOM 0 H LYS A 14 4.667 -24.161 17.676 1.00 0.00 H new ATOM 0 HA LYS A 14 5.896 -23.449 15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.360 -24.989 15.918 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.986 -24.863 14.286 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.202 -25.806 15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.457 -26.051 16.694 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.341 -27.226 14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.418 -28.102 15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.684 -27.514 17.061 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.590 -27.121 15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.359 -29.431 16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.941 -29.342 14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.001 -29.723 16.097 1.00 0.00 H new ATOM 248 N ILE A 15 4.441 -21.752 14.127 1.00 0.00 N ATOM 249 CA ILE A 15 3.676 -20.637 13.587 1.00 0.00 C ATOM 250 C ILE A 15 2.516 -21.144 12.730 1.00 0.00 C ATOM 251 O ILE A 15 2.563 -22.256 12.199 1.00 0.00 O ATOM 252 CB ILE A 15 4.591 -19.724 12.737 1.00 0.00 C ATOM 253 CG1 ILE A 15 5.708 -20.568 12.121 1.00 0.00 C ATOM 254 CG2 ILE A 15 5.200 -18.637 13.623 1.00 0.00 C ATOM 255 CD1 ILE A 15 6.378 -19.781 10.997 1.00 0.00 C ATOM 0 H ILE A 15 5.284 -21.986 13.602 1.00 0.00 H new ATOM 0 HA ILE A 15 3.272 -20.064 14.422 1.00 0.00 H new ATOM 0 HB ILE A 15 4.006 -19.255 11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.442 -20.832 12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.301 -21.502 11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.844 -17.996 13.021 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.403 -18.039 14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.788 -19.100 14.415 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.174 -20.381 10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.640 -19.540 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.798 -18.859 11.399 1.00 0.00 H new ATOM 267 N PRO A 16 1.487 -20.344 12.568 1.00 0.00 N ATOM 268 CA PRO A 16 0.308 -20.718 11.742 1.00 0.00 C ATOM 269 C PRO A 16 0.710 -21.362 10.414 1.00 0.00 C ATOM 270 O PRO A 16 1.856 -21.243 9.973 1.00 0.00 O ATOM 271 CB PRO A 16 -0.405 -19.376 11.504 1.00 0.00 C ATOM 272 CG PRO A 16 -0.031 -18.511 12.667 1.00 0.00 C ATOM 273 CD PRO A 16 1.328 -19.005 13.172 1.00 0.00 C ATOM 0 HA PRO A 16 -0.318 -21.461 12.236 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.089 -18.926 10.563 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.485 -19.511 11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.026 -17.465 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.782 -18.577 13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.132 -18.335 12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.352 -19.056 14.261 1.00 0.00 H new ATOM 281 N SER A 17 -0.239 -22.044 9.786 1.00 0.00 N ATOM 282 CA SER A 17 0.020 -22.704 8.513 1.00 0.00 C ATOM 283 C SER A 17 0.376 -21.682 7.440 1.00 0.00 C ATOM 284 O SER A 17 0.773 -22.045 6.336 1.00 0.00 O ATOM 285 CB SER A 17 -1.210 -23.496 8.071 1.00 0.00 C ATOM 286 OG SER A 17 -0.894 -24.231 6.894 1.00 0.00 O ATOM 0 H SER A 17 -1.191 -22.154 10.135 1.00 0.00 H new ATOM 0 HA SER A 17 0.861 -23.384 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.525 -24.174 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.043 -22.820 7.880 1.00 0.00 H new ATOM 0 HG SER A 17 -0.273 -23.712 6.341 1.00 0.00 H new ATOM 292 N THR A 18 0.235 -20.402 7.777 1.00 0.00 N ATOM 293 CA THR A 18 0.549 -19.322 6.837 1.00 0.00 C ATOM 294 C THR A 18 1.841 -18.625 7.244 1.00 0.00 C ATOM 295 O THR A 18 2.350 -18.836 8.341 1.00 0.00 O ATOM 296 CB THR A 18 -0.596 -18.309 6.808 1.00 0.00 C ATOM 297 OG1 THR A 18 -0.474 -17.429 7.916 1.00 0.00 O ATOM 298 CG2 THR A 18 -1.934 -19.047 6.885 1.00 0.00 C ATOM 0 H THR A 18 -0.093 -20.085 8.689 1.00 0.00 H new ATOM 0 HA THR A 18 0.677 -19.750 5.843 1.00 0.00 H new ATOM 0 HB THR A 18 -0.553 -17.736 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.206 -16.778 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.750 -18.324 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.026 -19.723 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.981 -19.620 7.811 1.00 0.00 H new ATOM 306 N ARG A 19 2.362 -17.790 6.350 1.00 0.00 N ATOM 307 CA ARG A 19 3.595 -17.054 6.616 1.00 0.00 C ATOM 308 C ARG A 19 3.280 -15.597 6.916 1.00 0.00 C ATOM 309 O ARG A 19 2.176 -15.121 6.648 1.00 0.00 O ATOM 310 CB ARG A 19 4.527 -17.136 5.406 1.00 0.00 C ATOM 311 CG ARG A 19 3.770 -16.722 4.143 1.00 0.00 C ATOM 312 CD ARG A 19 4.756 -16.563 2.988 1.00 0.00 C ATOM 313 NE ARG A 19 5.424 -17.830 2.714 1.00 0.00 N ATOM 314 CZ ARG A 19 6.464 -17.893 1.890 1.00 0.00 C ATOM 315 NH1 ARG A 19 6.904 -16.811 1.311 1.00 0.00 N ATOM 316 NH2 ARG A 19 7.047 -19.037 1.665 1.00 0.00 N ATOM 0 H ARG A 19 1.950 -17.606 5.435 1.00 0.00 H new ATOM 0 HA ARG A 19 4.087 -17.500 7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.389 -16.486 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.908 -18.151 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.019 -17.472 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.240 -15.785 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.230 -16.221 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.495 -15.800 3.234 1.00 0.00 H new ATOM 0 HE ARG A 19 5.087 -18.682 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.450 -15.916 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.703 -16.860 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.704 -19.882 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.846 -19.087 1.032 1.00 0.00 H new ATOM 330 N LYS A 20 4.264 -14.890 7.470 1.00 0.00 N ATOM 331 CA LYS A 20 4.095 -13.477 7.810 1.00 0.00 C ATOM 332 C LYS A 20 5.262 -12.664 7.276 1.00 0.00 C ATOM 333 O LYS A 20 6.415 -13.062 7.408 1.00 0.00 O ATOM 334 CB LYS A 20 4.017 -13.320 9.323 1.00 0.00 C ATOM 335 CG LYS A 20 3.681 -11.866 9.669 1.00 0.00 C ATOM 336 CD LYS A 20 3.653 -11.686 11.190 1.00 0.00 C ATOM 337 CE LYS A 20 2.362 -12.277 11.772 1.00 0.00 C ATOM 338 NZ LYS A 20 2.224 -11.863 13.191 1.00 0.00 N ATOM 0 H LYS A 20 5.184 -15.270 7.693 1.00 0.00 H new ATOM 0 HA LYS A 20 3.173 -13.114 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.257 -13.987 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.966 -13.603 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.421 -11.198 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.714 -11.596 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.519 -12.175 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.721 -10.627 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.501 -11.935 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.382 -13.364 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.863 -12.661 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.152 -11.572 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.560 -11.065 13.257 1.00 0.00 H new ATOM 352 N ILE A 21 4.949 -11.523 6.673 1.00 0.00 N ATOM 353 CA ILE A 21 5.972 -10.644 6.115 1.00 0.00 C ATOM 354 C ILE A 21 5.797 -9.226 6.642 1.00 0.00 C ATOM 355 O ILE A 21 4.686 -8.689 6.660 1.00 0.00 O ATOM 356 CB ILE A 21 5.864 -10.634 4.588 1.00 0.00 C ATOM 357 CG1 ILE A 21 4.476 -10.069 4.158 1.00 0.00 C ATOM 358 CG2 ILE A 21 6.033 -12.062 4.057 1.00 0.00 C ATOM 359 CD1 ILE A 21 4.631 -8.631 3.661 1.00 0.00 C ATOM 0 H ILE A 21 3.994 -11.184 6.557 1.00 0.00 H new ATOM 0 HA ILE A 21 6.953 -11.015 6.413 1.00 0.00 H new ATOM 0 HB ILE A 21 6.647 -9.999 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.048 -10.691 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.784 -10.100 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.956 -12.057 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.010 -12.446 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.253 -12.700 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.657 -8.242 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.039 -8.012 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.307 -8.612 2.806 1.00 0.00 H new ATOM 371 N LYS A 22 6.905 -8.627 7.080 1.00 0.00 N ATOM 372 CA LYS A 22 6.886 -7.266 7.612 1.00 0.00 C ATOM 373 C LYS A 22 7.784 -6.358 6.776 1.00 0.00 C ATOM 374 O LYS A 22 8.245 -5.320 7.249 1.00 0.00 O ATOM 375 CB LYS A 22 7.368 -7.266 9.067 1.00 0.00 C ATOM 376 CG LYS A 22 6.797 -6.044 9.794 1.00 0.00 C ATOM 377 CD LYS A 22 7.555 -5.815 11.100 1.00 0.00 C ATOM 378 CE LYS A 22 7.278 -6.972 12.060 1.00 0.00 C ATOM 379 NZ LYS A 22 7.749 -6.603 13.422 1.00 0.00 N ATOM 0 H LYS A 22 7.827 -9.064 7.076 1.00 0.00 H new ATOM 0 HA LYS A 22 5.864 -6.890 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.050 -8.181 9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.457 -7.246 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.876 -5.162 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.737 -6.195 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.625 -5.740 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.246 -4.872 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.211 -7.196 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.787 -7.873 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.562 -7.388 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.770 -6.409 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.244 -5.753 13.746 1.00 0.00 H new ATOM 393 N ILE A 23 8.038 -6.761 5.537 1.00 0.00 N ATOM 394 CA ILE A 23 8.888 -5.979 4.645 1.00 0.00 C ATOM 395 C ILE A 23 8.076 -4.900 3.947 1.00 0.00 C ATOM 396 O ILE A 23 6.964 -5.146 3.487 1.00 0.00 O ATOM 397 CB ILE A 23 9.536 -6.889 3.600 1.00 0.00 C ATOM 398 CG1 ILE A 23 10.517 -7.840 4.295 1.00 0.00 C ATOM 399 CG2 ILE A 23 10.286 -6.042 2.570 1.00 0.00 C ATOM 400 CD1 ILE A 23 9.765 -8.796 5.232 1.00 0.00 C ATOM 0 H ILE A 23 7.670 -7.620 5.128 1.00 0.00 H new ATOM 0 HA ILE A 23 9.667 -5.506 5.242 1.00 0.00 H new ATOM 0 HB ILE A 23 8.763 -7.467 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.069 -8.412 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.249 -7.266 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.746 -6.695 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.587 -5.367 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.060 -5.461 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.476 -9.464 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.233 -8.220 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.051 -9.384 4.655 1.00 0.00 H new ATOM 412 N THR A 24 8.643 -3.700 3.869 1.00 0.00 N ATOM 413 CA THR A 24 7.968 -2.579 3.213 1.00 0.00 C ATOM 414 C THR A 24 8.943 -1.823 2.320 1.00 0.00 C ATOM 415 O THR A 24 10.053 -1.499 2.739 1.00 0.00 O ATOM 416 CB THR A 24 7.395 -1.634 4.267 1.00 0.00 C ATOM 417 OG1 THR A 24 8.442 -1.175 5.109 1.00 0.00 O ATOM 418 CG2 THR A 24 6.350 -2.375 5.100 1.00 0.00 C ATOM 0 H THR A 24 9.563 -3.477 4.249 1.00 0.00 H new ATOM 0 HA THR A 24 7.158 -2.969 2.597 1.00 0.00 H new ATOM 0 HB THR A 24 6.926 -0.781 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.291 -1.202 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.940 -1.701 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.548 -2.724 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.816 -3.229 5.592 1.00 0.00 H new ATOM 426 N PHE A 25 8.520 -1.544 1.090 1.00 0.00 N ATOM 427 CA PHE A 25 9.362 -0.816 0.138 1.00 0.00 C ATOM 428 C PHE A 25 8.804 0.579 -0.097 1.00 0.00 C ATOM 429 O PHE A 25 7.713 0.739 -0.641 1.00 0.00 O ATOM 430 CB PHE A 25 9.416 -1.575 -1.188 1.00 0.00 C ATOM 431 CG PHE A 25 10.376 -0.878 -2.121 1.00 0.00 C ATOM 432 CD1 PHE A 25 11.751 -1.124 -2.020 1.00 0.00 C ATOM 433 CD2 PHE A 25 9.893 0.014 -3.087 1.00 0.00 C ATOM 434 CE1 PHE A 25 12.643 -0.476 -2.884 1.00 0.00 C ATOM 435 CE2 PHE A 25 10.784 0.660 -3.951 1.00 0.00 C ATOM 436 CZ PHE A 25 12.158 0.415 -3.850 1.00 0.00 C ATOM 0 H PHE A 25 7.604 -1.808 0.728 1.00 0.00 H new ATOM 0 HA PHE A 25 10.367 -0.732 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.736 -2.603 -1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.423 -1.620 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.123 -1.813 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.833 0.203 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.704 -0.663 -2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.411 1.348 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.845 0.913 -4.518 1.00 0.00 H new ATOM 446 N ALA A 26 9.563 1.591 0.316 1.00 0.00 N ATOM 447 CA ALA A 26 9.144 2.984 0.147 1.00 0.00 C ATOM 448 C ALA A 26 10.302 3.830 -0.355 1.00 0.00 C ATOM 449 O ALA A 26 11.461 3.570 -0.033 1.00 0.00 O ATOM 450 CB ALA A 26 8.644 3.539 1.478 1.00 0.00 C ATOM 0 H ALA A 26 10.469 1.475 0.769 1.00 0.00 H new ATOM 0 HA ALA A 26 8.339 3.018 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.334 4.576 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.796 2.947 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.445 3.491 2.216 1.00 0.00 H new ATOM 456 N LEU A 27 9.983 4.848 -1.150 1.00 0.00 N ATOM 457 CA LEU A 27 11.008 5.737 -1.699 1.00 0.00 C ATOM 458 C LEU A 27 11.116 7.006 -0.864 1.00 0.00 C ATOM 459 O LEU A 27 12.156 7.280 -0.269 1.00 0.00 O ATOM 460 CB LEU A 27 10.657 6.104 -3.141 1.00 0.00 C ATOM 461 CG LEU A 27 10.449 4.824 -3.959 1.00 0.00 C ATOM 462 CD1 LEU A 27 10.049 5.194 -5.391 1.00 0.00 C ATOM 463 CD2 LEU A 27 11.747 3.996 -3.979 1.00 0.00 C ATOM 0 H LEU A 27 9.029 5.079 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 27 11.966 5.217 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.753 6.713 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.455 6.703 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 27 9.657 4.230 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.901 4.285 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.123 5.769 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.838 5.792 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.591 3.088 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.547 4.584 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.024 3.729 -2.959 1.00 0.00 H new ATOM 475 N ASP A 28 10.035 7.780 -0.829 1.00 0.00 N ATOM 476 CA ASP A 28 10.021 9.023 -0.065 1.00 0.00 C ATOM 477 C ASP A 28 9.672 8.755 1.396 1.00 0.00 C ATOM 478 O ASP A 28 9.332 7.632 1.768 1.00 0.00 O ATOM 479 CB ASP A 28 9.001 9.997 -0.668 1.00 0.00 C ATOM 480 CG ASP A 28 9.292 11.418 -0.196 1.00 0.00 C ATOM 481 OD1 ASP A 28 8.891 11.747 0.908 1.00 0.00 O ATOM 482 OD2 ASP A 28 9.907 12.155 -0.948 1.00 0.00 O ATOM 0 H ASP A 28 9.164 7.571 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 28 11.016 9.465 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.042 9.951 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.992 9.707 -0.375 1.00 0.00 H new ATOM 487 N ALA A 29 9.756 9.796 2.216 1.00 0.00 N ATOM 488 CA ALA A 29 9.443 9.663 3.634 1.00 0.00 C ATOM 489 C ALA A 29 7.965 9.337 3.830 1.00 0.00 C ATOM 490 O ALA A 29 7.597 8.581 4.730 1.00 0.00 O ATOM 491 CB ALA A 29 9.785 10.962 4.369 1.00 0.00 C ATOM 0 H ALA A 29 10.036 10.733 1.927 1.00 0.00 H new ATOM 0 HA ALA A 29 10.039 8.847 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.548 10.854 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.848 11.176 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.203 11.782 3.949 1.00 0.00 H new ATOM 497 N THR A 30 7.119 9.922 2.993 1.00 0.00 N ATOM 498 CA THR A 30 5.683 9.690 3.095 1.00 0.00 C ATOM 499 C THR A 30 5.358 8.219 2.867 1.00 0.00 C ATOM 500 O THR A 30 4.714 7.578 3.695 1.00 0.00 O ATOM 501 CB THR A 30 4.942 10.541 2.054 1.00 0.00 C ATOM 502 OG1 THR A 30 4.824 9.802 0.845 1.00 0.00 O ATOM 503 CG2 THR A 30 5.727 11.828 1.784 1.00 0.00 C ATOM 0 H THR A 30 7.397 10.555 2.243 1.00 0.00 H new ATOM 0 HA THR A 30 5.360 9.971 4.097 1.00 0.00 H new ATOM 0 HB THR A 30 3.952 10.795 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.350 10.341 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.197 12.429 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.825 12.395 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.718 11.577 1.405 1.00 0.00 H new ATOM 511 N PHE A 31 5.812 7.688 1.741 1.00 0.00 N ATOM 512 CA PHE A 31 5.558 6.291 1.420 1.00 0.00 C ATOM 513 C PHE A 31 6.158 5.379 2.486 1.00 0.00 C ATOM 514 O PHE A 31 5.759 4.225 2.630 1.00 0.00 O ATOM 515 CB PHE A 31 6.158 5.946 0.053 1.00 0.00 C ATOM 516 CG PHE A 31 5.402 6.681 -1.031 1.00 0.00 C ATOM 517 CD1 PHE A 31 4.068 6.347 -1.302 1.00 0.00 C ATOM 518 CD2 PHE A 31 6.029 7.697 -1.764 1.00 0.00 C ATOM 519 CE1 PHE A 31 3.365 7.025 -2.303 1.00 0.00 C ATOM 520 CE2 PHE A 31 5.325 8.376 -2.765 1.00 0.00 C ATOM 521 CZ PHE A 31 3.993 8.041 -3.036 1.00 0.00 C ATOM 0 H PHE A 31 6.352 8.197 1.041 1.00 0.00 H new ATOM 0 HA PHE A 31 4.479 6.137 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.212 6.222 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.106 4.871 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.582 5.565 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.057 7.957 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.338 6.765 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.810 9.159 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.450 8.565 -3.809 1.00 0.00 H new ATOM 531 N ASP A 32 7.111 5.909 3.242 1.00 0.00 N ATOM 532 CA ASP A 32 7.754 5.132 4.295 1.00 0.00 C ATOM 533 C ASP A 32 6.848 5.013 5.518 1.00 0.00 C ATOM 534 O ASP A 32 6.636 3.920 6.045 1.00 0.00 O ATOM 535 CB ASP A 32 9.074 5.792 4.692 1.00 0.00 C ATOM 536 CG ASP A 32 9.884 4.854 5.577 1.00 0.00 C ATOM 537 OD1 ASP A 32 9.352 3.822 5.953 1.00 0.00 O ATOM 538 OD2 ASP A 32 11.019 5.184 5.871 1.00 0.00 O ATOM 0 H ASP A 32 7.454 6.865 3.148 1.00 0.00 H new ATOM 0 HA ASP A 32 7.947 4.130 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.645 6.046 3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.878 6.725 5.221 1.00 0.00 H new ATOM 543 N SER A 33 6.311 6.147 5.960 1.00 0.00 N ATOM 544 CA SER A 33 5.424 6.158 7.116 1.00 0.00 C ATOM 545 C SER A 33 4.064 5.572 6.756 1.00 0.00 C ATOM 546 O SER A 33 3.422 4.919 7.578 1.00 0.00 O ATOM 547 CB SER A 33 5.251 7.587 7.631 1.00 0.00 C ATOM 548 OG SER A 33 4.720 8.398 6.591 1.00 0.00 O ATOM 0 H SER A 33 6.473 7.062 5.539 1.00 0.00 H new ATOM 0 HA SER A 33 5.872 5.545 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.584 7.597 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.209 7.984 7.965 1.00 0.00 H new ATOM 0 HG SER A 33 4.606 9.315 6.917 1.00 0.00 H new ATOM 554 N VAL A 34 3.623 5.821 5.528 1.00 0.00 N ATOM 555 CA VAL A 34 2.331 5.319 5.082 1.00 0.00 C ATOM 556 C VAL A 34 2.331 3.798 5.048 1.00 0.00 C ATOM 557 O VAL A 34 1.450 3.158 5.623 1.00 0.00 O ATOM 558 CB VAL A 34 2.020 5.863 3.684 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.723 5.236 3.163 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.861 7.392 3.747 1.00 0.00 C ATOM 0 H VAL A 34 4.135 6.362 4.831 1.00 0.00 H new ATOM 0 HA VAL A 34 1.567 5.654 5.784 1.00 0.00 H new ATOM 0 HB VAL A 34 2.840 5.611 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.505 5.625 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.837 4.153 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.097 5.483 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.640 7.776 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.045 7.645 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.786 7.839 4.111 1.00 0.00 H new ATOM 570 N LEU A 35 3.328 3.216 4.382 1.00 0.00 N ATOM 571 CA LEU A 35 3.420 1.759 4.303 1.00 0.00 C ATOM 572 C LEU A 35 3.727 1.163 5.670 1.00 0.00 C ATOM 573 O LEU A 35 3.165 0.136 6.049 1.00 0.00 O ATOM 574 CB LEU A 35 4.512 1.362 3.297 1.00 0.00 C ATOM 575 CG LEU A 35 3.926 1.306 1.881 1.00 0.00 C ATOM 576 CD1 LEU A 35 3.171 2.606 1.566 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.059 1.108 0.873 1.00 0.00 C ATOM 0 H LEU A 35 4.071 3.720 3.898 1.00 0.00 H new ATOM 0 HA LEU A 35 2.460 1.367 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.330 2.082 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.930 0.392 3.565 1.00 0.00 H new ATOM 0 HG LEU A 35 3.227 0.472 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.760 2.553 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.360 2.738 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.857 3.451 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.646 1.068 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.760 1.940 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.580 0.175 1.089 1.00 0.00 H new ATOM 589 N SER A 36 4.632 1.805 6.396 1.00 0.00 N ATOM 590 CA SER A 36 5.018 1.317 7.712 1.00 0.00 C ATOM 591 C SER A 36 3.824 1.304 8.657 1.00 0.00 C ATOM 592 O SER A 36 3.604 0.333 9.375 1.00 0.00 O ATOM 593 CB SER A 36 6.123 2.199 8.292 1.00 0.00 C ATOM 594 OG SER A 36 7.269 2.126 7.457 1.00 0.00 O ATOM 0 H SER A 36 5.108 2.657 6.100 1.00 0.00 H new ATOM 0 HA SER A 36 5.386 0.297 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.779 3.231 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.373 1.872 9.301 1.00 0.00 H new ATOM 0 HG SER A 36 7.337 2.945 6.923 1.00 0.00 H new ATOM 600 N LYS A 37 3.062 2.390 8.648 1.00 0.00 N ATOM 601 CA LYS A 37 1.887 2.496 9.509 1.00 0.00 C ATOM 602 C LYS A 37 0.757 1.605 9.003 1.00 0.00 C ATOM 603 O LYS A 37 0.118 0.897 9.779 1.00 0.00 O ATOM 604 CB LYS A 37 1.413 3.949 9.565 1.00 0.00 C ATOM 605 CG LYS A 37 2.415 4.786 10.362 1.00 0.00 C ATOM 606 CD LYS A 37 1.972 6.250 10.361 1.00 0.00 C ATOM 607 CE LYS A 37 2.972 7.087 11.162 1.00 0.00 C ATOM 608 NZ LYS A 37 2.540 8.513 11.160 1.00 0.00 N ATOM 0 H LYS A 37 3.233 3.205 8.059 1.00 0.00 H new ATOM 0 HA LYS A 37 2.165 2.164 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.312 4.348 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.428 4.003 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.482 4.416 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.409 4.696 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.908 6.621 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.976 6.340 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.035 6.717 12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.968 6.997 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.219 9.082 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.501 8.863 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.598 8.591 11.593 1.00 0.00 H new ATOM 622 N ALA A 38 0.510 1.658 7.699 1.00 0.00 N ATOM 623 CA ALA A 38 -0.553 0.862 7.100 1.00 0.00 C ATOM 624 C ALA A 38 -0.156 -0.608 7.028 1.00 0.00 C ATOM 625 O ALA A 38 -0.437 -1.382 7.942 1.00 0.00 O ATOM 626 CB ALA A 38 -0.861 1.378 5.691 1.00 0.00 C ATOM 0 H ALA A 38 1.028 2.240 7.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.441 0.953 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.657 0.778 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.180 2.419 5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.034 1.305 5.073 1.00 0.00 H new ATOM 632 N CYS A 39 0.496 -0.985 5.934 1.00 0.00 N ATOM 633 CA CYS A 39 0.923 -2.366 5.750 1.00 0.00 C ATOM 634 C CYS A 39 2.076 -2.701 6.691 1.00 0.00 C ATOM 635 O CYS A 39 3.069 -3.308 6.286 1.00 0.00 O ATOM 636 CB CYS A 39 1.356 -2.591 4.297 1.00 0.00 C ATOM 637 SG CYS A 39 2.981 -1.837 4.021 1.00 0.00 S ATOM 0 H CYS A 39 0.739 -0.359 5.166 1.00 0.00 H new ATOM 0 HA CYS A 39 0.083 -3.021 5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.398 -3.659 4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.623 -2.157 3.617 1.00 0.00 H new ATOM 0 HG CYS A 39 3.319 -1.141 5.065 1.00 0.00 H new ATOM 643 N SER A 40 1.941 -2.299 7.950 1.00 0.00 N ATOM 644 CA SER A 40 2.980 -2.557 8.939 1.00 0.00 C ATOM 645 C SER A 40 3.226 -4.053 9.071 1.00 0.00 C ATOM 646 O SER A 40 4.328 -4.479 9.406 1.00 0.00 O ATOM 647 CB SER A 40 2.564 -1.986 10.298 1.00 0.00 C ATOM 648 OG SER A 40 1.829 -2.972 11.010 1.00 0.00 O ATOM 0 H SER A 40 1.128 -1.797 8.308 1.00 0.00 H new ATOM 0 HA SER A 40 3.899 -2.073 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.445 -1.690 10.867 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.957 -1.091 10.160 1.00 0.00 H new ATOM 0 HG SER A 40 1.561 -2.614 11.882 1.00 0.00 H new ATOM 654 N GLU A 41 2.192 -4.845 8.808 1.00 0.00 N ATOM 655 CA GLU A 41 2.309 -6.299 8.901 1.00 0.00 C ATOM 656 C GLU A 41 1.319 -6.976 7.969 1.00 0.00 C ATOM 657 O GLU A 41 0.177 -6.535 7.840 1.00 0.00 O ATOM 658 CB GLU A 41 2.044 -6.752 10.340 1.00 0.00 C ATOM 659 CG GLU A 41 2.260 -8.265 10.452 1.00 0.00 C ATOM 660 CD GLU A 41 2.027 -8.718 11.888 1.00 0.00 C ATOM 661 OE1 GLU A 41 2.653 -8.160 12.774 1.00 0.00 O ATOM 662 OE2 GLU A 41 1.226 -9.616 12.079 1.00 0.00 O ATOM 0 H GLU A 41 1.269 -4.510 8.531 1.00 0.00 H new ATOM 0 HA GLU A 41 3.320 -6.582 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.710 -6.228 11.025 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.024 -6.498 10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.579 -8.789 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.273 -8.520 10.141 1.00 0.00 H new ATOM 669 N PHE A 42 1.762 -8.056 7.323 1.00 0.00 N ATOM 670 CA PHE A 42 0.897 -8.797 6.403 1.00 0.00 C ATOM 671 C PHE A 42 1.045 -10.293 6.625 1.00 0.00 C ATOM 672 O PHE A 42 2.152 -10.793 6.807 1.00 0.00 O ATOM 673 CB PHE A 42 1.261 -8.442 4.942 1.00 0.00 C ATOM 674 CG PHE A 42 0.028 -7.986 4.200 1.00 0.00 C ATOM 675 CD1 PHE A 42 -0.993 -8.903 3.922 1.00 0.00 C ATOM 676 CD2 PHE A 42 -0.098 -6.655 3.798 1.00 0.00 C ATOM 677 CE1 PHE A 42 -2.139 -8.489 3.240 1.00 0.00 C ATOM 678 CE2 PHE A 42 -1.245 -6.239 3.117 1.00 0.00 C ATOM 679 CZ PHE A 42 -2.265 -7.155 2.839 1.00 0.00 C ATOM 0 H PHE A 42 2.705 -8.434 7.418 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.139 -8.518 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.016 -7.656 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.695 -9.310 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.894 -9.932 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.690 -5.948 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.926 -9.197 3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.344 -5.210 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.151 -6.832 2.314 1.00 0.00 H new ATOM 689 N GLU A 43 -0.083 -11.000 6.610 1.00 0.00 N ATOM 690 CA GLU A 43 -0.085 -12.452 6.807 1.00 0.00 C ATOM 691 C GLU A 43 -0.778 -13.142 5.639 1.00 0.00 C ATOM 692 O GLU A 43 -1.953 -12.900 5.368 1.00 0.00 O ATOM 693 CB GLU A 43 -0.800 -12.801 8.133 1.00 0.00 C ATOM 694 CG GLU A 43 -1.767 -11.675 8.508 1.00 0.00 C ATOM 695 CD GLU A 43 -2.728 -11.408 7.354 1.00 0.00 C ATOM 696 OE1 GLU A 43 -3.542 -12.272 7.073 1.00 0.00 O ATOM 697 OE2 GLU A 43 -2.636 -10.344 6.765 1.00 0.00 O ATOM 0 H GLU A 43 -1.007 -10.594 6.464 1.00 0.00 H new ATOM 0 HA GLU A 43 0.946 -12.803 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.343 -13.740 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.067 -12.943 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.327 -11.948 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.209 -10.769 8.745 1.00 0.00 H new ATOM 704 N VAL A 44 -0.042 -14.004 4.953 1.00 0.00 N ATOM 705 CA VAL A 44 -0.601 -14.735 3.816 1.00 0.00 C ATOM 706 C VAL A 44 -0.026 -16.143 3.757 1.00 0.00 C ATOM 707 O VAL A 44 1.001 -16.425 4.368 1.00 0.00 O ATOM 708 CB VAL A 44 -0.293 -13.995 2.520 1.00 0.00 C ATOM 709 CG1 VAL A 44 -0.934 -12.607 2.563 1.00 0.00 C ATOM 710 CG2 VAL A 44 1.222 -13.850 2.366 1.00 0.00 C ATOM 0 H VAL A 44 0.935 -14.216 5.158 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.682 -14.803 3.942 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.694 -14.556 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.715 -12.076 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.013 -12.708 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.531 -12.046 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.445 -13.321 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.621 -13.288 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.681 -14.838 2.339 1.00 0.00 H new ATOM 720 N ASP A 45 -0.693 -17.021 3.017 1.00 0.00 N ATOM 721 CA ASP A 45 -0.239 -18.403 2.873 1.00 0.00 C ATOM 722 C ASP A 45 0.706 -18.537 1.683 1.00 0.00 C ATOM 723 O ASP A 45 0.860 -17.607 0.890 1.00 0.00 O ATOM 724 CB ASP A 45 -1.438 -19.329 2.682 1.00 0.00 C ATOM 725 CG ASP A 45 -0.987 -20.784 2.767 1.00 0.00 C ATOM 726 OD1 ASP A 45 0.071 -21.025 3.325 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.707 -21.636 2.272 1.00 0.00 O ATOM 0 H ASP A 45 -1.549 -16.803 2.507 1.00 0.00 H new ATOM 0 HA ASP A 45 0.296 -18.685 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.190 -19.127 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.905 -19.139 1.716 1.00 0.00 H new ATOM 732 N LYS A 46 1.340 -19.698 1.565 1.00 0.00 N ATOM 733 CA LYS A 46 2.267 -19.942 0.469 1.00 0.00 C ATOM 734 C LYS A 46 1.507 -20.268 -0.811 1.00 0.00 C ATOM 735 O LYS A 46 1.924 -21.130 -1.580 1.00 0.00 O ATOM 736 CB LYS A 46 3.183 -21.113 0.817 1.00 0.00 C ATOM 737 CG LYS A 46 4.138 -20.694 1.935 1.00 0.00 C ATOM 738 CD LYS A 46 4.953 -21.908 2.399 1.00 0.00 C ATOM 739 CE LYS A 46 6.037 -22.241 1.366 1.00 0.00 C ATOM 740 NZ LYS A 46 7.019 -23.182 1.966 1.00 0.00 N ATOM 0 H LYS A 46 1.230 -20.480 2.211 1.00 0.00 H new ATOM 0 HA LYS A 46 2.860 -19.041 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.590 -21.972 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.748 -21.421 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.806 -19.909 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.575 -20.280 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.412 -21.700 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.295 -22.766 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.585 -22.686 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.540 -21.329 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.755 -23.409 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.458 -22.741 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.533 -24.056 2.252 1.00 0.00 H new ATOM 754 N ASP A 47 0.395 -19.569 -1.031 1.00 0.00 N ATOM 755 CA ASP A 47 -0.426 -19.785 -2.227 1.00 0.00 C ATOM 756 C ASP A 47 -0.486 -18.516 -3.071 1.00 0.00 C ATOM 757 O ASP A 47 -0.689 -18.572 -4.283 1.00 0.00 O ATOM 758 CB ASP A 47 -1.838 -20.198 -1.815 1.00 0.00 C ATOM 759 CG ASP A 47 -2.651 -20.579 -3.048 1.00 0.00 C ATOM 760 OD1 ASP A 47 -2.143 -20.406 -4.143 1.00 0.00 O ATOM 761 OD2 ASP A 47 -3.764 -21.040 -2.877 1.00 0.00 O ATOM 0 H ASP A 47 0.040 -18.850 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 47 0.026 -20.578 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.793 -21.040 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.326 -19.379 -1.287 1.00 0.00 H new ATOM 766 N VAL A 48 -0.308 -17.369 -2.426 1.00 0.00 N ATOM 767 CA VAL A 48 -0.348 -16.094 -3.136 1.00 0.00 C ATOM 768 C VAL A 48 0.969 -15.839 -3.861 1.00 0.00 C ATOM 769 O VAL A 48 2.046 -15.918 -3.272 1.00 0.00 O ATOM 770 CB VAL A 48 -0.622 -14.959 -2.142 1.00 0.00 C ATOM 771 CG1 VAL A 48 -2.107 -14.957 -1.756 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.231 -15.160 -0.879 1.00 0.00 C ATOM 0 H VAL A 48 -0.136 -17.294 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.148 -16.132 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.366 -14.007 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.298 -14.149 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.715 -14.810 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.364 -15.911 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.034 -14.352 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.022 -16.114 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.287 -15.157 -1.149 1.00 0.00 H new ATOM 782 N THR A 49 0.877 -15.526 -5.148 1.00 0.00 N ATOM 783 CA THR A 49 2.069 -15.253 -5.938 1.00 0.00 C ATOM 784 C THR A 49 2.486 -13.793 -5.784 1.00 0.00 C ATOM 785 O THR A 49 1.678 -12.941 -5.419 1.00 0.00 O ATOM 786 CB THR A 49 1.796 -15.561 -7.413 1.00 0.00 C ATOM 787 OG1 THR A 49 0.812 -14.662 -7.908 1.00 0.00 O ATOM 788 CG2 THR A 49 1.291 -16.999 -7.550 1.00 0.00 C ATOM 0 H THR A 49 -0.001 -15.456 -5.662 1.00 0.00 H new ATOM 0 HA THR A 49 2.879 -15.889 -5.580 1.00 0.00 H new ATOM 0 HB THR A 49 2.716 -15.445 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.637 -14.856 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.097 -17.218 -8.600 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.046 -17.687 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.370 -17.117 -6.978 1.00 0.00 H new ATOM 796 N LEU A 50 3.750 -13.513 -6.064 1.00 0.00 N ATOM 797 CA LEU A 50 4.266 -12.155 -5.949 1.00 0.00 C ATOM 798 C LEU A 50 3.311 -11.169 -6.616 1.00 0.00 C ATOM 799 O LEU A 50 3.099 -10.065 -6.114 1.00 0.00 O ATOM 800 CB LEU A 50 5.645 -12.059 -6.618 1.00 0.00 C ATOM 801 CG LEU A 50 5.634 -12.855 -7.957 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.370 -12.064 -9.043 1.00 0.00 C ATOM 803 CD2 LEU A 50 6.327 -14.212 -7.763 1.00 0.00 C ATOM 0 H LEU A 50 4.435 -14.203 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 50 4.357 -11.907 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.897 -11.015 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.411 -12.457 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 50 4.600 -13.014 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.357 -12.628 -9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.875 -11.104 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.402 -11.896 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.316 -14.764 -8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.358 -14.052 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.799 -14.784 -7.000 1.00 0.00 H new ATOM 815 N ASP A 51 2.734 -11.571 -7.744 1.00 0.00 N ATOM 816 CA ASP A 51 1.802 -10.707 -8.459 1.00 0.00 C ATOM 817 C ASP A 51 0.595 -10.385 -7.578 1.00 0.00 C ATOM 818 O ASP A 51 0.185 -9.228 -7.460 1.00 0.00 O ATOM 819 CB ASP A 51 1.333 -11.402 -9.741 1.00 0.00 C ATOM 820 CG ASP A 51 2.471 -11.444 -10.759 1.00 0.00 C ATOM 821 OD1 ASP A 51 3.437 -10.725 -10.568 1.00 0.00 O ATOM 822 OD2 ASP A 51 2.358 -12.197 -11.713 1.00 0.00 O ATOM 0 H ASP A 51 2.893 -12.480 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 51 2.310 -9.777 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.999 -12.415 -9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.478 -10.871 -10.160 1.00 0.00 H new ATOM 827 N GLU A 52 0.042 -11.420 -6.949 1.00 0.00 N ATOM 828 CA GLU A 52 -1.103 -11.238 -6.072 1.00 0.00 C ATOM 829 C GLU A 52 -0.697 -10.467 -4.828 1.00 0.00 C ATOM 830 O GLU A 52 -1.470 -9.672 -4.300 1.00 0.00 O ATOM 831 CB GLU A 52 -1.686 -12.595 -5.671 1.00 0.00 C ATOM 832 CG GLU A 52 -2.322 -13.257 -6.896 1.00 0.00 C ATOM 833 CD GLU A 52 -2.874 -14.627 -6.518 1.00 0.00 C ATOM 834 OE1 GLU A 52 -2.824 -14.961 -5.347 1.00 0.00 O ATOM 835 OE2 GLU A 52 -3.338 -15.322 -7.407 1.00 0.00 O ATOM 0 H GLU A 52 0.367 -12.383 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.862 -10.670 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.902 -13.234 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.431 -12.466 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.122 -12.628 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.582 -13.360 -7.690 1.00 0.00 H new ATOM 842 N LEU A 53 0.522 -10.705 -4.361 1.00 0.00 N ATOM 843 CA LEU A 53 1.011 -10.020 -3.174 1.00 0.00 C ATOM 844 C LEU A 53 1.100 -8.519 -3.422 1.00 0.00 C ATOM 845 O LEU A 53 0.713 -7.717 -2.575 1.00 0.00 O ATOM 846 CB LEU A 53 2.392 -10.565 -2.785 1.00 0.00 C ATOM 847 CG LEU A 53 2.938 -9.804 -1.565 1.00 0.00 C ATOM 848 CD1 LEU A 53 1.962 -9.939 -0.384 1.00 0.00 C ATOM 849 CD2 LEU A 53 4.301 -10.383 -1.176 1.00 0.00 C ATOM 0 H LEU A 53 1.182 -11.359 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 53 0.311 -10.199 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.321 -11.629 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.081 -10.464 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 53 3.047 -8.749 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.355 -9.398 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.994 -9.523 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.845 -10.992 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.691 -9.846 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.190 -11.439 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.993 -10.277 -2.011 1.00 0.00 H new ATOM 861 N LEU A 54 1.620 -8.150 -4.586 1.00 0.00 N ATOM 862 CA LEU A 54 1.764 -6.742 -4.943 1.00 0.00 C ATOM 863 C LEU A 54 0.395 -6.093 -5.121 1.00 0.00 C ATOM 864 O LEU A 54 0.179 -4.941 -4.737 1.00 0.00 O ATOM 865 CB LEU A 54 2.568 -6.614 -6.237 1.00 0.00 C ATOM 866 CG LEU A 54 4.024 -7.049 -5.985 1.00 0.00 C ATOM 867 CD1 LEU A 54 4.741 -7.233 -7.327 1.00 0.00 C ATOM 868 CD2 LEU A 54 4.769 -5.988 -5.145 1.00 0.00 C ATOM 0 H LEU A 54 1.948 -8.803 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 54 2.291 -6.231 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.123 -7.232 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.542 -5.584 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 54 4.019 -7.990 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.771 -7.541 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.229 -7.998 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.733 -6.291 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.796 -6.312 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.771 -5.038 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.266 -5.864 -4.186 1.00 0.00 H new ATOM 880 N ASP A 55 -0.521 -6.839 -5.720 1.00 0.00 N ATOM 881 CA ASP A 55 -1.863 -6.322 -5.948 1.00 0.00 C ATOM 882 C ASP A 55 -2.635 -6.222 -4.635 1.00 0.00 C ATOM 883 O ASP A 55 -3.327 -5.236 -4.382 1.00 0.00 O ATOM 884 CB ASP A 55 -2.614 -7.237 -6.914 1.00 0.00 C ATOM 885 CG ASP A 55 -4.010 -6.685 -7.179 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.378 -5.722 -6.525 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.688 -7.231 -8.032 1.00 0.00 O ATOM 0 H ASP A 55 -0.364 -7.790 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.778 -5.325 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.063 -7.320 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.685 -8.241 -6.496 1.00 0.00 H new ATOM 892 N VAL A 56 -2.523 -7.255 -3.810 1.00 0.00 N ATOM 893 CA VAL A 56 -3.226 -7.279 -2.532 1.00 0.00 C ATOM 894 C VAL A 56 -2.677 -6.221 -1.586 1.00 0.00 C ATOM 895 O VAL A 56 -3.432 -5.437 -1.018 1.00 0.00 O ATOM 896 CB VAL A 56 -3.083 -8.663 -1.882 1.00 0.00 C ATOM 897 CG1 VAL A 56 -3.598 -8.616 -0.435 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.896 -9.690 -2.679 1.00 0.00 C ATOM 0 H VAL A 56 -1.957 -8.082 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.278 -7.066 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.032 -8.950 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.494 -9.601 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.018 -7.890 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.648 -8.324 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.794 -10.672 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.946 -9.398 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.526 -9.731 -3.704 1.00 0.00 H new ATOM 908 N VAL A 57 -1.360 -6.211 -1.407 1.00 0.00 N ATOM 909 CA VAL A 57 -0.736 -5.254 -0.504 1.00 0.00 C ATOM 910 C VAL A 57 -1.063 -3.834 -0.942 1.00 0.00 C ATOM 911 O VAL A 57 -1.407 -2.981 -0.117 1.00 0.00 O ATOM 912 CB VAL A 57 0.785 -5.459 -0.498 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.368 -5.012 -1.836 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.409 -4.642 0.631 1.00 0.00 C ATOM 0 H VAL A 57 -0.711 -6.848 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.123 -5.413 0.503 1.00 0.00 H new ATOM 0 HB VAL A 57 1.005 -6.515 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.448 -5.158 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.927 -5.601 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.146 -3.957 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.489 -4.789 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.187 -3.585 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.997 -4.967 1.586 1.00 0.00 H new ATOM 924 N LEU A 58 -0.957 -3.578 -2.246 1.00 0.00 N ATOM 925 CA LEU A 58 -1.244 -2.250 -2.754 1.00 0.00 C ATOM 926 C LEU A 58 -2.695 -1.874 -2.463 1.00 0.00 C ATOM 927 O LEU A 58 -2.971 -0.841 -1.851 1.00 0.00 O ATOM 928 CB LEU A 58 -0.993 -2.215 -4.268 1.00 0.00 C ATOM 929 CG LEU A 58 -1.385 -0.844 -4.840 1.00 0.00 C ATOM 930 CD1 LEU A 58 -0.610 0.265 -4.108 1.00 0.00 C ATOM 931 CD2 LEU A 58 -1.055 -0.804 -6.334 1.00 0.00 C ATOM 0 H LEU A 58 -0.680 -4.261 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.590 -1.532 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.058 -2.416 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.570 -3.000 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.454 -0.685 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.891 1.236 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.850 0.236 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.461 0.111 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.332 0.168 -6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.014 -0.965 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.611 -1.586 -6.851 1.00 0.00 H new ATOM 943 N ASP A 59 -3.615 -2.716 -2.915 1.00 0.00 N ATOM 944 CA ASP A 59 -5.033 -2.460 -2.705 1.00 0.00 C ATOM 945 C ASP A 59 -5.315 -2.300 -1.218 1.00 0.00 C ATOM 946 O ASP A 59 -6.186 -1.531 -0.823 1.00 0.00 O ATOM 947 CB ASP A 59 -5.863 -3.619 -3.263 1.00 0.00 C ATOM 948 CG ASP A 59 -7.340 -3.237 -3.302 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.669 -2.286 -3.992 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.119 -3.901 -2.640 1.00 0.00 O ATOM 0 H ASP A 59 -3.407 -3.575 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.306 -1.542 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.519 -3.873 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.725 -4.506 -2.644 1.00 0.00 H new ATOM 955 N ALA A 60 -4.572 -3.035 -0.399 1.00 0.00 N ATOM 956 CA ALA A 60 -4.746 -2.966 1.046 1.00 0.00 C ATOM 957 C ALA A 60 -4.471 -1.554 1.554 1.00 0.00 C ATOM 958 O ALA A 60 -5.283 -0.977 2.279 1.00 0.00 O ATOM 959 CB ALA A 60 -3.795 -3.949 1.734 1.00 0.00 C ATOM 0 H ALA A 60 -3.847 -3.682 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.777 -3.230 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.931 -3.891 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.011 -4.962 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.765 -3.694 1.484 1.00 0.00 H new ATOM 965 N VAL A 61 -3.325 -1.007 1.167 1.00 0.00 N ATOM 966 CA VAL A 61 -2.954 0.340 1.592 1.00 0.00 C ATOM 967 C VAL A 61 -3.906 1.374 1.002 1.00 0.00 C ATOM 968 O VAL A 61 -4.340 2.300 1.689 1.00 0.00 O ATOM 969 CB VAL A 61 -1.525 0.655 1.150 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.179 2.101 1.520 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.554 -0.296 1.852 1.00 0.00 C ATOM 0 H VAL A 61 -2.642 -1.468 0.566 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.017 0.383 2.679 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.444 0.528 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.160 2.324 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.870 2.780 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.261 2.230 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.465 -0.072 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.637 -0.169 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.798 -1.325 1.588 1.00 0.00 H new ATOM 981 N GLU A 62 -4.228 1.209 -0.273 1.00 0.00 N ATOM 982 CA GLU A 62 -5.127 2.138 -0.948 1.00 0.00 C ATOM 983 C GLU A 62 -6.508 2.114 -0.302 1.00 0.00 C ATOM 984 O GLU A 62 -7.093 3.164 -0.034 1.00 0.00 O ATOM 985 CB GLU A 62 -5.244 1.767 -2.430 1.00 0.00 C ATOM 986 CG GLU A 62 -6.221 2.724 -3.131 1.00 0.00 C ATOM 987 CD GLU A 62 -7.665 2.289 -2.880 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.910 1.094 -2.868 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.502 3.160 -2.700 1.00 0.00 O ATOM 0 H GLU A 62 -3.884 0.448 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.716 3.144 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.265 1.820 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.592 0.739 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.071 3.740 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.020 2.739 -4.202 1.00 0.00 H new ATOM 996 N SER A 63 -7.028 0.918 -0.064 1.00 0.00 N ATOM 997 CA SER A 63 -8.345 0.778 0.542 1.00 0.00 C ATOM 998 C SER A 63 -8.374 1.431 1.919 1.00 0.00 C ATOM 999 O SER A 63 -9.279 2.208 2.227 1.00 0.00 O ATOM 1000 CB SER A 63 -8.697 -0.703 0.675 1.00 0.00 C ATOM 1001 OG SER A 63 -9.785 -0.851 1.579 1.00 0.00 O ATOM 0 H SER A 63 -6.562 0.036 -0.279 1.00 0.00 H new ATOM 0 HA SER A 63 -9.075 1.274 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.961 -1.114 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.833 -1.263 1.034 1.00 0.00 H new ATOM 0 HG SER A 63 -10.013 -1.800 1.664 1.00 0.00 H new ATOM 1007 N THR A 64 -7.385 1.108 2.744 1.00 0.00 N ATOM 1008 CA THR A 64 -7.314 1.665 4.088 1.00 0.00 C ATOM 1009 C THR A 64 -7.250 3.186 4.024 1.00 0.00 C ATOM 1010 O THR A 64 -7.955 3.874 4.757 1.00 0.00 O ATOM 1011 CB THR A 64 -6.077 1.131 4.811 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.164 -0.284 4.913 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.997 1.740 6.212 1.00 0.00 C ATOM 0 H THR A 64 -6.627 0.468 2.508 1.00 0.00 H new ATOM 0 HA THR A 64 -8.208 1.368 4.636 1.00 0.00 H new ATOM 0 HB THR A 64 -5.184 1.402 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.889 -0.691 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.115 1.358 6.725 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.930 2.825 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.890 1.472 6.777 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.400 3.704 3.137 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.252 5.152 2.975 1.00 0.00 C ATOM 1023 C LEU A 65 -6.907 5.610 1.684 1.00 0.00 C ATOM 1024 O LEU A 65 -6.231 5.898 0.699 1.00 0.00 O ATOM 1025 CB LEU A 65 -4.771 5.518 2.956 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.117 5.073 4.269 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.600 5.246 4.163 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -4.647 5.914 5.445 1.00 0.00 C ATOM 0 H LEU A 65 -5.806 3.147 2.523 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.740 5.650 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.278 5.038 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.653 6.594 2.825 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.360 4.026 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.132 4.930 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.221 4.637 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.365 6.294 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.173 5.586 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.417 6.966 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.727 5.787 5.526 1.00 0.00 H new ATOM 1040 N SER A 66 -8.231 5.687 1.702 1.00 0.00 N ATOM 1041 CA SER A 66 -8.982 6.129 0.526 1.00 0.00 C ATOM 1042 C SER A 66 -8.782 7.632 0.308 1.00 0.00 C ATOM 1043 O SER A 66 -8.582 8.082 -0.822 1.00 0.00 O ATOM 1044 CB SER A 66 -10.488 5.813 0.704 1.00 0.00 C ATOM 1045 OG SER A 66 -10.660 5.076 1.904 1.00 0.00 O ATOM 0 H SER A 66 -8.807 5.452 2.510 1.00 0.00 H new ATOM 0 HA SER A 66 -8.612 5.594 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.066 6.736 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.857 5.241 -0.147 1.00 0.00 H new ATOM 0 HG SER A 66 -10.190 4.219 1.832 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.842 8.403 1.365 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.670 9.882 1.286 1.00 0.00 C ATOM 1053 C PRO A 67 -7.305 10.265 0.725 1.00 0.00 C ATOM 1054 O PRO A 67 -6.286 10.077 1.381 1.00 0.00 O ATOM 1055 CB PRO A 67 -8.822 10.347 2.754 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.525 9.225 3.449 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.080 7.956 2.743 1.00 0.00 C ATOM 0 HA PRO A 67 -9.392 10.348 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.851 10.544 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.397 11.271 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.264 9.196 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.607 9.346 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.178 7.540 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.845 7.181 2.788 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.299 10.804 -0.488 1.00 0.00 N ATOM 1066 CA CYS A 68 -6.051 11.216 -1.131 1.00 0.00 C ATOM 1067 C CYS A 68 -6.198 12.604 -1.745 1.00 0.00 C ATOM 1068 O CYS A 68 -5.461 13.531 -1.399 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.664 10.199 -2.211 1.00 0.00 C ATOM 1070 SG CYS A 68 -6.070 8.531 -1.640 1.00 0.00 S ATOM 0 H CYS A 68 -8.137 10.967 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.264 11.255 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.194 10.417 -3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.598 10.271 -2.429 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.352 8.440 -1.442 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.149 12.738 -2.659 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.389 14.012 -3.322 1.00 0.00 C ATOM 1078 C LYS A 69 -7.958 15.031 -2.337 1.00 0.00 C ATOM 1079 O LYS A 69 -8.085 16.214 -2.659 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.362 13.820 -4.481 1.00 0.00 C ATOM 1081 CG LYS A 69 -7.719 12.923 -5.541 1.00 0.00 C ATOM 1082 CD LYS A 69 -8.756 12.589 -6.618 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.190 13.869 -7.349 1.00 0.00 C ATOM 1084 NZ LYS A 69 -10.299 14.513 -6.591 1.00 0.00 N ATOM 0 H LYS A 69 -7.765 11.982 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.439 14.387 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.288 13.371 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.623 14.785 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.862 13.426 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.347 12.007 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.336 11.879 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.623 12.109 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.348 14.555 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.516 13.631 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.132 14.605 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.541 13.928 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.999 15.456 -6.271 1.00 0.00 H new ATOM 1098 N GLU A 70 -8.314 14.560 -1.147 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.884 15.437 -0.132 1.00 0.00 C ATOM 1100 C GLU A 70 -7.812 16.334 0.469 1.00 0.00 C ATOM 1101 O GLU A 70 -8.034 17.529 0.673 1.00 0.00 O ATOM 1102 CB GLU A 70 -9.531 14.605 0.975 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.760 13.884 0.419 1.00 0.00 C ATOM 1104 CD GLU A 70 -11.387 13.010 1.500 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -10.906 13.053 2.621 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -12.338 12.314 1.193 1.00 0.00 O ATOM 0 H GLU A 70 -8.219 13.585 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.640 16.062 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.816 13.880 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.819 15.248 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.488 14.612 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.476 13.271 -0.436 1.00 0.00 H new ATOM 1113 N HIS A 71 -6.646 15.756 0.750 1.00 0.00 N ATOM 1114 CA HIS A 71 -5.537 16.513 1.328 1.00 0.00 C ATOM 1115 C HIS A 71 -4.456 16.755 0.282 1.00 0.00 C ATOM 1116 O HIS A 71 -4.080 15.845 -0.454 1.00 0.00 O ATOM 1117 CB HIS A 71 -4.946 15.747 2.523 1.00 0.00 C ATOM 1118 CG HIS A 71 -4.271 16.712 3.458 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -3.407 17.695 3.003 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.334 16.868 4.821 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -2.987 18.393 4.075 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -3.523 17.931 5.210 1.00 0.00 N ATOM 0 H HIS A 71 -6.445 14.769 0.588 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.914 17.477 1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.735 15.208 3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.230 15.003 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.923 16.258 5.490 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.300 19.225 4.025 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.371 18.281 6.156 1.00 0.00 H new ATOM 1130 N ASP A 72 -3.965 17.986 0.223 1.00 0.00 N ATOM 1131 CA ASP A 72 -2.928 18.336 -0.740 1.00 0.00 C ATOM 1132 C ASP A 72 -1.667 17.518 -0.489 1.00 0.00 C ATOM 1133 O ASP A 72 -0.965 17.139 -1.426 1.00 0.00 O ATOM 1134 CB ASP A 72 -2.601 19.826 -0.633 1.00 0.00 C ATOM 1135 CG ASP A 72 -1.707 20.247 -1.795 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -1.119 19.374 -2.412 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -1.627 21.439 -2.053 1.00 0.00 O ATOM 0 H ASP A 72 -4.265 18.753 0.825 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.297 18.115 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.521 20.410 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.101 20.030 0.314 1.00 0.00 H new ATOM 1142 N VAL A 73 -1.379 17.247 0.782 1.00 0.00 N ATOM 1143 CA VAL A 73 -0.194 16.475 1.130 1.00 0.00 C ATOM 1144 C VAL A 73 -0.256 15.088 0.496 1.00 0.00 C ATOM 1145 O VAL A 73 0.707 14.635 -0.125 1.00 0.00 O ATOM 1146 CB VAL A 73 -0.100 16.336 2.654 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.038 15.380 3.022 1.00 0.00 C ATOM 1148 CG2 VAL A 73 0.172 17.710 3.276 1.00 0.00 C ATOM 0 H VAL A 73 -1.943 17.547 1.577 1.00 0.00 H new ATOM 0 HA VAL A 73 0.686 16.996 0.753 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.041 15.939 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.098 15.287 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.847 14.401 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.980 15.771 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.239 17.612 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.111 18.105 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.640 18.391 3.023 1.00 0.00 H new ATOM 1158 N ILE A 74 -1.399 14.425 0.645 1.00 0.00 N ATOM 1159 CA ILE A 74 -1.580 13.097 0.075 1.00 0.00 C ATOM 1160 C ILE A 74 -1.963 13.210 -1.386 1.00 0.00 C ATOM 1161 O ILE A 74 -1.706 12.302 -2.151 1.00 0.00 O ATOM 1162 CB ILE A 74 -2.664 12.335 0.831 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -2.332 12.344 2.324 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -2.709 10.891 0.333 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -3.506 11.765 3.110 1.00 0.00 C ATOM 0 H ILE A 74 -2.208 14.784 1.152 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.640 12.552 0.162 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.632 12.809 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.432 11.759 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.125 13.362 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.483 10.344 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.933 10.881 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.743 10.416 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.270 11.771 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.396 12.369 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.691 10.741 2.785 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.595 14.327 -1.753 1.00 0.00 N ATOM 1178 CA GLY A 75 -3.021 14.547 -3.138 1.00 0.00 C ATOM 1179 C GLY A 75 -2.032 13.922 -4.126 1.00 0.00 C ATOM 1180 O GLY A 75 -2.399 13.057 -4.918 1.00 0.00 O ATOM 0 H GLY A 75 -2.822 15.090 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.011 14.117 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.105 15.617 -3.330 1.00 0.00 H new ATOM 1184 N THR A 76 -0.780 14.359 -4.062 1.00 0.00 N ATOM 1185 CA THR A 76 0.257 13.833 -4.949 1.00 0.00 C ATOM 1186 C THR A 76 0.146 12.310 -5.079 1.00 0.00 C ATOM 1187 O THR A 76 0.598 11.715 -6.064 1.00 0.00 O ATOM 1188 CB THR A 76 1.640 14.199 -4.406 1.00 0.00 C ATOM 1189 OG1 THR A 76 1.690 15.595 -4.141 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.703 13.843 -5.444 1.00 0.00 C ATOM 0 H THR A 76 -0.457 15.073 -3.409 1.00 0.00 H new ATOM 0 HA THR A 76 0.119 14.277 -5.935 1.00 0.00 H new ATOM 0 HB THR A 76 1.828 13.646 -3.486 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.575 15.830 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.689 14.103 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.665 12.774 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.514 14.398 -6.363 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.460 11.690 -4.079 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.636 10.243 -4.075 1.00 0.00 C ATOM 1200 C LYS A 77 -1.433 9.810 -5.295 1.00 0.00 C ATOM 1201 O LYS A 77 -1.107 8.816 -5.929 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.375 9.797 -2.810 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.444 8.277 -2.759 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.125 7.827 -1.468 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.168 6.295 -1.419 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.842 5.860 -0.162 1.00 0.00 N ATOM 0 H LYS A 77 -0.839 12.164 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 77 0.350 9.779 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.862 10.176 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.381 10.216 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.995 7.901 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.440 7.857 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.583 8.214 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.136 8.232 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.704 5.907 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.157 5.890 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.873 4.821 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.313 6.219 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.811 6.236 -0.140 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.485 10.553 -5.616 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.317 10.211 -6.765 1.00 0.00 C ATOM 1222 C VAL A 78 -2.463 10.094 -8.026 1.00 0.00 C ATOM 1223 O VAL A 78 -2.711 9.241 -8.879 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.385 11.296 -6.966 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.755 12.547 -7.603 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.490 10.764 -7.881 1.00 0.00 C ATOM 0 H VAL A 78 -2.780 11.385 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.799 9.251 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.806 11.561 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.521 13.310 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.972 12.933 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.325 12.286 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.247 11.535 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.063 10.492 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.947 9.885 -7.426 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.468 10.964 -8.142 1.00 0.00 N ATOM 1237 CA CYS A 79 -0.590 10.952 -9.306 1.00 0.00 C ATOM 1238 C CYS A 79 0.305 9.719 -9.292 1.00 0.00 C ATOM 1239 O CYS A 79 0.403 8.995 -10.286 1.00 0.00 O ATOM 1240 CB CYS A 79 0.277 12.212 -9.319 1.00 0.00 C ATOM 1241 SG CYS A 79 -0.784 13.676 -9.414 1.00 0.00 S ATOM 0 H CYS A 79 -1.249 11.682 -7.451 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.209 10.926 -10.203 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.891 12.253 -8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.959 12.188 -10.169 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.047 14.747 -9.423 1.00 0.00 H new ATOM 1247 N ALA A 80 0.959 9.485 -8.157 1.00 0.00 N ATOM 1248 CA ALA A 80 1.849 8.331 -8.029 1.00 0.00 C ATOM 1249 C ALA A 80 1.069 7.028 -8.145 1.00 0.00 C ATOM 1250 O ALA A 80 1.473 6.106 -8.859 1.00 0.00 O ATOM 1251 CB ALA A 80 2.572 8.382 -6.685 1.00 0.00 C ATOM 0 H ALA A 80 0.893 10.069 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 80 2.579 8.369 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.233 7.520 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.159 9.298 -6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.840 8.364 -5.877 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.050 6.953 -7.439 1.00 0.00 N ATOM 1258 CA LEU A 81 -0.880 5.763 -7.465 1.00 0.00 C ATOM 1259 C LEU A 81 -1.398 5.511 -8.870 1.00 0.00 C ATOM 1260 O LEU A 81 -1.427 4.376 -9.335 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.065 5.922 -6.500 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.972 4.681 -6.569 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.164 3.421 -6.211 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.136 4.849 -5.590 1.00 0.00 C ATOM 0 H LEU A 81 -0.402 7.702 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.274 4.913 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.700 6.059 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.636 6.814 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.362 4.573 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.812 2.546 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.341 3.304 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.766 3.519 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.780 3.971 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.747 4.960 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.711 5.736 -5.857 1.00 0.00 H new ATOM 1276 N LEU A 82 -1.821 6.574 -9.536 1.00 0.00 N ATOM 1277 CA LEU A 82 -2.350 6.441 -10.882 1.00 0.00 C ATOM 1278 C LEU A 82 -1.297 5.860 -11.818 1.00 0.00 C ATOM 1279 O LEU A 82 -1.584 4.961 -12.609 1.00 0.00 O ATOM 1280 CB LEU A 82 -2.792 7.812 -11.393 1.00 0.00 C ATOM 1281 CG LEU A 82 -3.271 7.700 -12.867 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.539 8.532 -13.070 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -2.175 8.213 -13.814 1.00 0.00 C ATOM 0 H LEU A 82 -1.809 7.527 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.204 5.764 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.597 8.200 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.966 8.519 -11.323 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.483 6.654 -13.087 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.868 8.448 -14.106 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.324 8.165 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.329 9.577 -12.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.518 8.131 -14.845 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.956 9.256 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.273 7.616 -13.683 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.077 6.374 -11.717 1.00 0.00 N ATOM 1296 CA ASP A 83 1.010 5.890 -12.559 1.00 0.00 C ATOM 1297 C ASP A 83 1.287 4.417 -12.278 1.00 0.00 C ATOM 1298 O ASP A 83 1.474 3.624 -13.200 1.00 0.00 O ATOM 1299 CB ASP A 83 2.274 6.708 -12.297 1.00 0.00 C ATOM 1300 CG ASP A 83 3.348 6.358 -13.321 1.00 0.00 C ATOM 1301 OD1 ASP A 83 3.020 5.685 -14.285 1.00 0.00 O ATOM 1302 OD2 ASP A 83 4.479 6.767 -13.127 1.00 0.00 O ATOM 0 H ASP A 83 0.183 7.117 -11.068 1.00 0.00 H new ATOM 0 HA ASP A 83 0.716 6.000 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.045 7.772 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.642 6.510 -11.290 1.00 0.00 H new ATOM 1307 N ARG A 84 1.312 4.058 -10.998 1.00 0.00 N ATOM 1308 CA ARG A 84 1.567 2.677 -10.610 1.00 0.00 C ATOM 1309 C ARG A 84 0.435 1.771 -11.075 1.00 0.00 C ATOM 1310 O ARG A 84 0.668 0.668 -11.568 1.00 0.00 O ATOM 1311 CB ARG A 84 1.710 2.581 -9.088 1.00 0.00 C ATOM 1312 CG ARG A 84 3.030 3.224 -8.659 1.00 0.00 C ATOM 1313 CD ARG A 84 3.152 3.165 -7.136 1.00 0.00 C ATOM 1314 NE ARG A 84 4.391 3.807 -6.706 1.00 0.00 N ATOM 1315 CZ ARG A 84 5.537 3.134 -6.648 1.00 0.00 C ATOM 1316 NH1 ARG A 84 5.570 1.874 -6.981 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.627 3.736 -6.263 1.00 0.00 N ATOM 0 H ARG A 84 1.160 4.699 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 84 2.493 2.351 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.874 3.082 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.682 1.537 -8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.868 2.704 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.070 4.259 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.298 3.661 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.136 2.128 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 84 4.377 4.793 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.717 1.405 -7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.449 1.358 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.601 4.723 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.506 3.220 -6.218 1.00 0.00 H new ATOM 1331 N LEU A 85 -0.797 2.238 -10.905 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.959 1.456 -11.302 1.00 0.00 C ATOM 1333 C LEU A 85 -2.145 1.503 -12.817 1.00 0.00 C ATOM 1334 O LEU A 85 -2.939 0.751 -13.381 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.226 1.992 -10.590 1.00 0.00 C ATOM 1336 CG LEU A 85 -4.079 0.827 -10.077 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.258 1.375 -9.279 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.591 0.007 -11.267 1.00 0.00 C ATOM 0 H LEU A 85 -1.015 3.148 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.798 0.419 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.940 2.636 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.809 2.602 -11.280 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.476 0.187 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.866 0.547 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.887 1.954 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.865 2.015 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.198 -0.822 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.195 0.643 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.744 -0.384 -11.831 1.00 0.00 H new ATOM 1350 N ALA A 86 -1.419 2.403 -13.464 1.00 0.00 N ATOM 1351 CA ALA A 86 -1.523 2.550 -14.907 1.00 0.00 C ATOM 1352 C ALA A 86 -1.158 1.243 -15.602 1.00 0.00 C ATOM 1353 O ALA A 86 -1.762 0.875 -16.610 1.00 0.00 O ATOM 1354 CB ALA A 86 -0.591 3.662 -15.385 1.00 0.00 C ATOM 0 H ALA A 86 -0.757 3.037 -13.017 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.552 2.807 -15.157 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.674 3.766 -16.467 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.870 4.601 -14.907 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.437 3.413 -15.123 1.00 0.00 H new ATOM 1360 N GLY A 87 -0.170 0.542 -15.056 1.00 0.00 N ATOM 1361 CA GLY A 87 0.263 -0.727 -15.630 1.00 0.00 C ATOM 1362 C GLY A 87 1.695 -1.048 -15.222 1.00 0.00 C ATOM 1363 O GLY A 87 2.047 -2.211 -15.024 1.00 0.00 O ATOM 0 H GLY A 87 0.343 0.828 -14.222 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.401 -1.526 -15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.192 -0.682 -16.717 1.00 0.00 H new ATOM 1367 N ASP A 88 2.517 -0.012 -15.095 1.00 0.00 N ATOM 1368 CA ASP A 88 3.912 -0.194 -14.704 1.00 0.00 C ATOM 1369 C ASP A 88 4.041 -0.209 -13.187 1.00 0.00 C ATOM 1370 O ASP A 88 3.772 0.788 -12.523 1.00 0.00 O ATOM 1371 CB ASP A 88 4.767 0.938 -15.276 1.00 0.00 C ATOM 1372 CG ASP A 88 4.821 0.831 -16.797 1.00 0.00 C ATOM 1373 OD1 ASP A 88 5.712 0.157 -17.291 1.00 0.00 O ATOM 1374 OD2 ASP A 88 3.974 1.422 -17.444 1.00 0.00 O ATOM 0 H ASP A 88 2.245 0.958 -15.256 1.00 0.00 H new ATOM 0 HA ASP A 88 4.260 -1.148 -15.100 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.351 1.902 -14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.775 0.888 -14.863 1.00 0.00 H new ATOM 1379 N TYR A 89 4.456 -1.354 -12.645 1.00 0.00 N ATOM 1380 CA TYR A 89 4.620 -1.496 -11.195 1.00 0.00 C ATOM 1381 C TYR A 89 5.960 -2.146 -10.873 1.00 0.00 C ATOM 1382 O TYR A 89 6.455 -2.986 -11.627 1.00 0.00 O ATOM 1383 CB TYR A 89 3.484 -2.351 -10.631 1.00 0.00 C ATOM 1384 CG TYR A 89 3.617 -3.770 -11.133 1.00 0.00 C ATOM 1385 CD1 TYR A 89 3.226 -4.091 -12.439 1.00 0.00 C ATOM 1386 CD2 TYR A 89 4.133 -4.763 -10.295 1.00 0.00 C ATOM 1387 CE1 TYR A 89 3.354 -5.406 -12.904 1.00 0.00 C ATOM 1388 CE2 TYR A 89 4.260 -6.074 -10.757 1.00 0.00 C ATOM 1389 CZ TYR A 89 3.870 -6.397 -12.062 1.00 0.00 C ATOM 1390 OH TYR A 89 3.993 -7.695 -12.519 1.00 0.00 O ATOM 0 H TYR A 89 4.684 -2.191 -13.181 1.00 0.00 H new ATOM 0 HA TYR A 89 4.592 -0.506 -10.740 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.511 -2.336 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.521 -1.938 -10.931 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.826 -3.325 -13.087 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.434 -4.515 -9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.055 -5.655 -13.911 1.00 0.00 H new ATOM 0 HE2 TYR A 89 4.659 -6.839 -10.108 1.00 0.00 H new ATOM 0 HH TYR A 89 4.369 -8.257 -11.810 1.00 0.00 H new ATOM 1400 N VAL A 90 6.547 -1.743 -9.756 1.00 0.00 N ATOM 1401 CA VAL A 90 7.839 -2.274 -9.346 1.00 0.00 C ATOM 1402 C VAL A 90 7.814 -3.793 -9.383 1.00 0.00 C ATOM 1403 O VAL A 90 6.776 -4.411 -9.159 1.00 0.00 O ATOM 1404 CB VAL A 90 8.177 -1.802 -7.931 1.00 0.00 C ATOM 1405 CG1 VAL A 90 8.481 -0.303 -7.948 1.00 0.00 C ATOM 1406 CG2 VAL A 90 6.982 -2.068 -7.012 1.00 0.00 C ATOM 0 H VAL A 90 6.151 -1.052 -9.119 1.00 0.00 H new ATOM 0 HA VAL A 90 8.600 -1.910 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 90 9.050 -2.343 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.722 0.031 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.329 -0.111 -8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.609 0.241 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.218 -1.733 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.112 -1.525 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.764 -3.136 -6.999 1.00 0.00 H new ATOM 1416 N TYR A 91 8.964 -4.394 -9.674 1.00 0.00 N ATOM 1417 CA TYR A 91 9.067 -5.851 -9.748 1.00 0.00 C ATOM 1418 C TYR A 91 9.595 -6.409 -8.439 1.00 0.00 C ATOM 1419 O TYR A 91 10.133 -5.670 -7.615 1.00 0.00 O ATOM 1420 CB TYR A 91 10.004 -6.252 -10.882 1.00 0.00 C ATOM 1421 CG TYR A 91 9.585 -5.551 -12.154 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.387 -5.905 -12.787 1.00 0.00 C ATOM 1423 CD2 TYR A 91 10.395 -4.545 -12.700 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.997 -5.254 -13.963 1.00 0.00 C ATOM 1425 CE2 TYR A 91 10.005 -3.894 -13.875 1.00 0.00 C ATOM 1426 CZ TYR A 91 8.807 -4.249 -14.508 1.00 0.00 C ATOM 1427 OH TYR A 91 8.424 -3.607 -15.666 1.00 0.00 O ATOM 0 H TYR A 91 9.835 -3.898 -9.862 1.00 0.00 H new ATOM 0 HA TYR A 91 8.074 -6.258 -9.937 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.031 -5.988 -10.630 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.979 -7.332 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.764 -6.681 -12.367 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.320 -4.273 -12.213 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.072 -5.526 -14.450 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.628 -3.118 -14.294 1.00 0.00 H new ATOM 0 HH TYR A 91 9.098 -2.937 -15.907 1.00 0.00 H new ATOM 1437 N LEU A 92 9.434 -7.714 -8.251 1.00 0.00 N ATOM 1438 CA LEU A 92 9.897 -8.371 -7.033 1.00 0.00 C ATOM 1439 C LEU A 92 10.695 -9.623 -7.361 1.00 0.00 C ATOM 1440 O LEU A 92 10.238 -10.477 -8.118 1.00 0.00 O ATOM 1441 CB LEU A 92 8.695 -8.738 -6.166 1.00 0.00 C ATOM 1442 CG LEU A 92 9.188 -9.399 -4.845 1.00 0.00 C ATOM 1443 CD1 LEU A 92 8.383 -8.859 -3.658 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.009 -10.923 -4.928 1.00 0.00 C ATOM 0 H LEU A 92 8.988 -8.337 -8.924 1.00 0.00 H new ATOM 0 HA LEU A 92 10.547 -7.683 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.109 -7.846 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.040 -9.423 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 92 10.243 -9.163 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.734 -9.326 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.515 -7.779 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.327 -9.087 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.355 -11.381 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.955 -11.158 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.589 -11.313 -5.764 1.00 0.00 H new ATOM 1456 N PHE A 93 11.892 -9.726 -6.784 1.00 0.00 N ATOM 1457 CA PHE A 93 12.749 -10.888 -7.020 1.00 0.00 C ATOM 1458 C PHE A 93 13.495 -11.269 -5.744 1.00 0.00 C ATOM 1459 O PHE A 93 13.771 -10.419 -4.896 1.00 0.00 O ATOM 1460 CB PHE A 93 13.758 -10.573 -8.123 1.00 0.00 C ATOM 1461 CG PHE A 93 13.020 -10.117 -9.363 1.00 0.00 C ATOM 1462 CD1 PHE A 93 12.150 -10.995 -10.022 1.00 0.00 C ATOM 1463 CD2 PHE A 93 13.204 -8.818 -9.858 1.00 0.00 C ATOM 1464 CE1 PHE A 93 11.466 -10.577 -11.170 1.00 0.00 C ATOM 1465 CE2 PHE A 93 12.520 -8.402 -11.004 1.00 0.00 C ATOM 1466 CZ PHE A 93 11.651 -9.279 -11.660 1.00 0.00 C ATOM 0 H PHE A 93 12.288 -9.027 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 93 12.121 -11.725 -7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.447 -9.797 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.357 -11.456 -8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.007 -11.996 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.875 -8.138 -9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.796 -11.256 -11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 93 12.663 -7.401 -11.383 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.123 -8.955 -12.544 1.00 0.00 H new ATOM 1476 N ASP A 94 13.822 -12.551 -5.617 1.00 0.00 N ATOM 1477 CA ASP A 94 14.538 -13.036 -4.446 1.00 0.00 C ATOM 1478 C ASP A 94 16.019 -12.681 -4.546 1.00 0.00 C ATOM 1479 O ASP A 94 16.400 -11.777 -5.288 1.00 0.00 O ATOM 1480 CB ASP A 94 14.379 -14.553 -4.331 1.00 0.00 C ATOM 1481 CG ASP A 94 14.983 -15.237 -5.553 1.00 0.00 C ATOM 1482 OD1 ASP A 94 15.408 -14.530 -6.453 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.009 -16.456 -5.574 1.00 0.00 O ATOM 0 H ASP A 94 13.603 -13.269 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 94 14.120 -12.560 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.869 -14.910 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.323 -14.810 -4.245 1.00 0.00 H new ATOM 1488 N GLU A 95 16.848 -13.402 -3.797 1.00 0.00 N ATOM 1489 CA GLU A 95 18.284 -13.158 -3.812 1.00 0.00 C ATOM 1490 C GLU A 95 18.895 -13.636 -5.125 1.00 0.00 C ATOM 1491 O GLU A 95 19.869 -14.390 -5.129 1.00 0.00 O ATOM 1492 CB GLU A 95 18.952 -13.886 -2.643 1.00 0.00 C ATOM 1493 CG GLU A 95 18.535 -13.227 -1.326 1.00 0.00 C ATOM 1494 CD GLU A 95 19.174 -13.961 -0.152 1.00 0.00 C ATOM 1495 OE1 GLU A 95 19.783 -14.992 -0.382 1.00 0.00 O ATOM 1496 OE2 GLU A 95 19.059 -13.473 0.961 1.00 0.00 O ATOM 0 H GLU A 95 16.551 -14.155 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 95 18.451 -12.085 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.664 -14.937 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.036 -13.852 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.840 -12.180 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.449 -13.244 -1.229 1.00 0.00 H new ATOM 1503 N GLY A 96 18.319 -13.193 -6.236 1.00 0.00 N ATOM 1504 CA GLY A 96 18.815 -13.583 -7.550 1.00 0.00 C ATOM 1505 C GLY A 96 17.920 -13.026 -8.651 1.00 0.00 C ATOM 1506 O GLY A 96 17.773 -11.815 -8.788 1.00 0.00 O ATOM 0 H GLY A 96 17.513 -12.568 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.833 -13.218 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.854 -14.670 -7.621 1.00 0.00 H new ATOM 1510 N GLY A 97 17.324 -13.922 -9.432 1.00 0.00 N ATOM 1511 CA GLY A 97 16.439 -13.514 -10.526 1.00 0.00 C ATOM 1512 C GLY A 97 15.242 -14.449 -10.635 1.00 0.00 C ATOM 1513 O GLY A 97 14.428 -14.321 -11.548 1.00 0.00 O ATOM 0 H GLY A 97 17.435 -14.931 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.094 -12.494 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.992 -13.514 -11.465 1.00 0.00 H new ATOM 1517 N ASP A 98 15.140 -15.392 -9.699 1.00 0.00 N ATOM 1518 CA ASP A 98 14.032 -16.346 -9.701 1.00 0.00 C ATOM 1519 C ASP A 98 12.862 -15.803 -8.888 1.00 0.00 C ATOM 1520 O ASP A 98 12.975 -15.603 -7.679 1.00 0.00 O ATOM 1521 CB ASP A 98 14.497 -17.678 -9.111 1.00 0.00 C ATOM 1522 CG ASP A 98 15.463 -18.364 -10.074 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.494 -17.973 -11.229 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.159 -19.265 -9.638 1.00 0.00 O ATOM 0 H ASP A 98 15.805 -15.515 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 98 13.703 -16.500 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.985 -17.510 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.638 -18.322 -8.923 1.00 0.00 H new ATOM 1529 N GLU A 99 11.740 -15.572 -9.560 1.00 0.00 N ATOM 1530 CA GLU A 99 10.556 -15.054 -8.886 1.00 0.00 C ATOM 1531 C GLU A 99 10.051 -16.046 -7.846 1.00 0.00 C ATOM 1532 O GLU A 99 9.218 -16.900 -8.146 1.00 0.00 O ATOM 1533 CB GLU A 99 9.449 -14.785 -9.908 1.00 0.00 C ATOM 1534 CG GLU A 99 9.812 -13.558 -10.744 1.00 0.00 C ATOM 1535 CD GLU A 99 8.774 -13.346 -11.841 1.00 0.00 C ATOM 1536 OE1 GLU A 99 7.807 -14.087 -11.866 1.00 0.00 O ATOM 1537 OE2 GLU A 99 8.962 -12.441 -12.639 1.00 0.00 O ATOM 0 H GLU A 99 11.625 -15.733 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 99 10.827 -14.125 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.318 -15.653 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.500 -14.622 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.864 -12.676 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.799 -13.689 -11.187 1.00 0.00 H new ATOM 1544 N VAL A 100 10.559 -15.924 -6.621 1.00 0.00 N ATOM 1545 CA VAL A 100 10.146 -16.815 -5.535 1.00 0.00 C ATOM 1546 C VAL A 100 9.894 -16.018 -4.258 1.00 0.00 C ATOM 1547 O VAL A 100 10.703 -15.170 -3.877 1.00 0.00 O ATOM 1548 CB VAL A 100 11.230 -17.863 -5.283 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.874 -18.682 -4.039 1.00 0.00 C ATOM 1550 CG2 VAL A 100 11.328 -18.791 -6.497 1.00 0.00 C ATOM 0 H VAL A 100 11.251 -15.224 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 100 9.221 -17.313 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 100 12.187 -17.366 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.648 -19.429 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.803 -18.020 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.917 -19.181 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.100 -19.540 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.370 -19.287 -6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.583 -18.207 -7.381 1.00 0.00 H new ATOM 1560 N ILE A 101 8.774 -16.296 -3.602 1.00 0.00 N ATOM 1561 CA ILE A 101 8.433 -15.593 -2.375 1.00 0.00 C ATOM 1562 C ILE A 101 9.346 -16.044 -1.251 1.00 0.00 C ATOM 1563 O ILE A 101 9.482 -17.239 -0.984 1.00 0.00 O ATOM 1564 CB ILE A 101 6.975 -15.879 -2.000 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.097 -15.773 -3.254 1.00 0.00 C ATOM 1566 CG2 ILE A 101 6.499 -14.859 -0.964 1.00 0.00 C ATOM 1567 CD1 ILE A 101 6.391 -14.461 -3.989 1.00 0.00 C ATOM 0 H ILE A 101 8.093 -16.996 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 101 8.560 -14.522 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 101 6.901 -16.883 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.287 -16.620 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.044 -15.816 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.462 -15.066 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.121 -14.929 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.574 -13.855 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.764 -14.393 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.178 -13.619 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.440 -14.436 -4.283 1.00 0.00 H new ATOM 1579 N ALA A 102 9.964 -15.078 -0.579 1.00 0.00 N ATOM 1580 CA ALA A 102 10.850 -15.397 0.523 1.00 0.00 C ATOM 1581 C ALA A 102 11.056 -14.172 1.423 1.00 0.00 C ATOM 1582 O ALA A 102 10.982 -13.031 0.959 1.00 0.00 O ATOM 1583 CB ALA A 102 12.206 -15.881 -0.010 1.00 0.00 C ATOM 0 H ALA A 102 9.867 -14.082 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 102 10.391 -16.192 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.863 -16.117 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.060 -16.773 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.659 -15.097 -0.617 1.00 0.00 H new ATOM 1589 N PRO A 103 11.336 -14.381 2.687 1.00 0.00 N ATOM 1590 CA PRO A 103 11.577 -13.265 3.650 1.00 0.00 C ATOM 1591 C PRO A 103 12.541 -12.215 3.093 1.00 0.00 C ATOM 1592 O PRO A 103 12.346 -11.018 3.289 1.00 0.00 O ATOM 1593 CB PRO A 103 12.198 -13.972 4.869 1.00 0.00 C ATOM 1594 CG PRO A 103 11.694 -15.379 4.817 1.00 0.00 C ATOM 1595 CD PRO A 103 11.432 -15.698 3.343 1.00 0.00 C ATOM 0 HA PRO A 103 10.662 -12.719 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.287 -13.944 4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.903 -13.484 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.426 -16.068 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.782 -15.485 5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.239 -16.295 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.513 -16.270 3.219 1.00 0.00 H new ATOM 1603 N ARG A 104 13.580 -12.672 2.401 1.00 0.00 N ATOM 1604 CA ARG A 104 14.568 -11.760 1.822 1.00 0.00 C ATOM 1605 C ARG A 104 14.232 -11.474 0.366 1.00 0.00 C ATOM 1606 O ARG A 104 14.983 -11.841 -0.533 1.00 0.00 O ATOM 1607 CB ARG A 104 15.963 -12.382 1.906 1.00 0.00 C ATOM 1608 CG ARG A 104 15.904 -13.864 1.453 1.00 0.00 C ATOM 1609 CD ARG A 104 15.807 -14.779 2.676 1.00 0.00 C ATOM 1610 NE ARG A 104 15.764 -16.171 2.260 1.00 0.00 N ATOM 1611 CZ ARG A 104 15.592 -17.141 3.146 1.00 0.00 C ATOM 1612 NH1 ARG A 104 15.460 -16.855 4.414 1.00 0.00 N ATOM 1613 NH2 ARG A 104 15.554 -18.383 2.751 1.00 0.00 N ATOM 0 H ARG A 104 13.762 -13.660 2.227 1.00 0.00 H new ATOM 0 HA ARG A 104 14.550 -10.826 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.658 -11.827 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.339 -12.319 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.044 -14.020 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 104 16.793 -14.112 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.662 -14.614 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 104 14.913 -14.536 3.251 1.00 0.00 H new ATOM 0 HE ARG A 104 15.868 -16.404 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.489 -15.884 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 104 15.328 -17.603 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.657 -18.607 1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.422 -19.131 3.432 1.00 0.00 H new ATOM 1627 N MET A 105 13.099 -10.817 0.141 1.00 0.00 N ATOM 1628 CA MET A 105 12.668 -10.482 -1.214 1.00 0.00 C ATOM 1629 C MET A 105 12.923 -9.008 -1.497 1.00 0.00 C ATOM 1630 O MET A 105 12.644 -8.150 -0.664 1.00 0.00 O ATOM 1631 CB MET A 105 11.176 -10.782 -1.377 1.00 0.00 C ATOM 1632 CG MET A 105 10.380 -10.047 -0.295 1.00 0.00 C ATOM 1633 SD MET A 105 8.642 -10.538 -0.392 1.00 0.00 S ATOM 1634 CE MET A 105 7.966 -9.142 0.539 1.00 0.00 C ATOM 0 H MET A 105 12.464 -10.506 0.876 1.00 0.00 H new ATOM 0 HA MET A 105 13.238 -11.086 -1.920 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.838 -10.470 -2.365 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.001 -11.855 -1.305 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.782 -10.282 0.691 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.473 -8.969 -0.428 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.877 -9.192 0.530 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.323 -9.184 1.568 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.290 -8.208 0.080 1.00 0.00 H new ATOM 1644 N TYR A 106 13.455 -8.722 -2.682 1.00 0.00 N ATOM 1645 CA TYR A 106 13.744 -7.343 -3.072 1.00 0.00 C ATOM 1646 C TYR A 106 12.643 -6.814 -3.979 1.00 0.00 C ATOM 1647 O TYR A 106 12.404 -7.359 -5.054 1.00 0.00 O ATOM 1648 CB TYR A 106 15.088 -7.281 -3.798 1.00 0.00 C ATOM 1649 CG TYR A 106 15.325 -5.870 -4.297 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.409 -4.808 -3.385 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.462 -5.623 -5.671 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.627 -3.506 -3.845 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.681 -4.320 -6.128 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.765 -3.261 -5.215 1.00 0.00 C ATOM 1655 OH TYR A 106 15.977 -1.974 -5.666 1.00 0.00 O ATOM 0 H TYR A 106 13.694 -9.421 -3.386 1.00 0.00 H new ATOM 0 HA TYR A 106 13.791 -6.724 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.892 -7.580 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.095 -7.980 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.305 -4.996 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.398 -6.439 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.689 -2.689 -3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.786 -4.130 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 106 15.644 -1.890 -6.584 1.00 0.00 H new ATOM 1665 N CYS A 107 11.976 -5.749 -3.535 1.00 0.00 N ATOM 1666 CA CYS A 107 10.890 -5.143 -4.311 1.00 0.00 C ATOM 1667 C CYS A 107 11.283 -3.748 -4.782 1.00 0.00 C ATOM 1668 O CYS A 107 11.480 -2.842 -3.976 1.00 0.00 O ATOM 1669 CB CYS A 107 9.626 -5.059 -3.455 1.00 0.00 C ATOM 1670 SG CYS A 107 8.177 -5.004 -4.538 1.00 0.00 S ATOM 0 H CYS A 107 12.166 -5.288 -2.645 1.00 0.00 H new ATOM 0 HA CYS A 107 10.698 -5.766 -5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.565 -5.920 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.658 -4.170 -2.824 1.00 0.00 H new ATOM 0 HG CYS A 107 7.098 -4.935 -3.816 1.00 0.00 H new ATOM 1676 N SER A 108 11.389 -3.585 -6.096 1.00 0.00 N ATOM 1677 CA SER A 108 11.754 -2.292 -6.667 1.00 0.00 C ATOM 1678 C SER A 108 11.651 -2.330 -8.191 1.00 0.00 C ATOM 1679 O SER A 108 11.497 -3.397 -8.785 1.00 0.00 O ATOM 1680 CB SER A 108 13.179 -1.914 -6.259 1.00 0.00 C ATOM 1681 OG SER A 108 14.096 -2.504 -7.167 1.00 0.00 O ATOM 0 H SER A 108 11.229 -4.324 -6.781 1.00 0.00 H new ATOM 0 HA SER A 108 11.061 -1.543 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.295 -0.830 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.382 -2.256 -5.244 1.00 0.00 H new ATOM 0 HG SER A 108 14.459 -3.326 -6.777 1.00 0.00 H new ATOM 1687 N PHE A 109 11.747 -1.161 -8.813 1.00 0.00 N ATOM 1688 CA PHE A 109 11.674 -1.072 -10.267 1.00 0.00 C ATOM 1689 C PHE A 109 12.923 -1.672 -10.903 1.00 0.00 C ATOM 1690 O PHE A 109 12.896 -2.110 -12.054 1.00 0.00 O ATOM 1691 CB PHE A 109 11.538 0.389 -10.695 1.00 0.00 C ATOM 1692 CG PHE A 109 11.547 0.476 -12.203 1.00 0.00 C ATOM 1693 CD1 PHE A 109 10.394 0.152 -12.930 1.00 0.00 C ATOM 1694 CD2 PHE A 109 12.707 0.878 -12.877 1.00 0.00 C ATOM 1695 CE1 PHE A 109 10.403 0.229 -14.328 1.00 0.00 C ATOM 1696 CE2 PHE A 109 12.716 0.955 -14.273 1.00 0.00 C ATOM 1697 CZ PHE A 109 11.565 0.631 -14.999 1.00 0.00 C ATOM 0 H PHE A 109 11.875 -0.267 -8.338 1.00 0.00 H new ATOM 0 HA PHE A 109 10.801 -1.633 -10.602 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.613 0.809 -10.302 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.357 0.978 -10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 109 9.498 -0.157 -12.412 1.00 0.00 H new ATOM 0 HD2 PHE A 109 13.596 1.129 -12.317 1.00 0.00 H new ATOM 0 HE1 PHE A 109 9.515 -0.021 -14.889 1.00 0.00 H new ATOM 0 HE2 PHE A 109 13.612 1.265 -14.791 1.00 0.00 H new ATOM 0 HZ PHE A 109 11.572 0.691 -16.077 1.00 0.00 H new ATOM 1707 N SER A 110 14.014 -1.693 -10.147 1.00 0.00 N ATOM 1708 CA SER A 110 15.271 -2.241 -10.648 1.00 0.00 C ATOM 1709 C SER A 110 15.147 -3.741 -10.861 1.00 0.00 C ATOM 1710 O SER A 110 14.484 -4.435 -10.089 1.00 0.00 O ATOM 1711 CB SER A 110 16.398 -1.957 -9.657 1.00 0.00 C ATOM 1712 OG SER A 110 16.763 -0.587 -9.745 1.00 0.00 O ATOM 0 H SER A 110 14.056 -1.340 -9.191 1.00 0.00 H new ATOM 0 HA SER A 110 15.500 -1.765 -11.601 1.00 0.00 H new ATOM 0 HB2 SER A 110 16.076 -2.195 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 110 17.258 -2.590 -9.875 1.00 0.00 H new ATOM 0 HG SER A 110 17.485 -0.399 -9.109 1.00 0.00 H new ATOM 1718 N ALA A 111 15.789 -4.238 -11.917 1.00 0.00 N ATOM 1719 CA ALA A 111 15.740 -5.665 -12.231 1.00 0.00 C ATOM 1720 C ALA A 111 17.020 -6.360 -11.753 1.00 0.00 C ATOM 1721 O ALA A 111 17.990 -5.705 -11.368 1.00 0.00 O ATOM 1722 CB ALA A 111 15.564 -5.865 -13.754 1.00 0.00 C ATOM 0 H ALA A 111 16.345 -3.679 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 111 14.889 -6.109 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.528 -6.931 -13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.636 -5.395 -14.078 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.404 -5.411 -14.280 1.00 0.00 H new ATOM 1728 N PRO A 112 17.036 -7.668 -11.794 1.00 0.00 N ATOM 1729 CA PRO A 112 18.222 -8.471 -11.376 1.00 0.00 C ATOM 1730 C PRO A 112 19.501 -8.003 -12.073 1.00 0.00 C ATOM 1731 O PRO A 112 20.564 -7.934 -11.457 1.00 0.00 O ATOM 1732 CB PRO A 112 17.857 -9.907 -11.801 1.00 0.00 C ATOM 1733 CG PRO A 112 16.365 -9.936 -11.852 1.00 0.00 C ATOM 1734 CD PRO A 112 15.923 -8.527 -12.238 1.00 0.00 C ATOM 0 HA PRO A 112 18.428 -8.379 -10.310 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.288 -10.152 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 112 18.240 -10.637 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.015 -10.667 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.948 -10.224 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.757 -8.441 -13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.988 -8.254 -11.748 1.00 0.00 H new ATOM 1742 N ASP A 113 19.389 -7.679 -13.359 1.00 0.00 N ATOM 1743 CA ASP A 113 20.541 -7.219 -14.126 1.00 0.00 C ATOM 1744 C ASP A 113 20.769 -5.732 -13.891 1.00 0.00 C ATOM 1745 O ASP A 113 21.004 -4.975 -14.831 1.00 0.00 O ATOM 1746 CB ASP A 113 20.313 -7.472 -15.619 1.00 0.00 C ATOM 1747 CG ASP A 113 19.091 -6.696 -16.098 1.00 0.00 C ATOM 1748 OD1 ASP A 113 18.610 -5.862 -15.348 1.00 0.00 O ATOM 1749 OD2 ASP A 113 18.651 -6.948 -17.208 1.00 0.00 O ATOM 0 H ASP A 113 18.518 -7.726 -13.888 1.00 0.00 H new ATOM 0 HA ASP A 113 21.421 -7.772 -13.797 1.00 0.00 H new ATOM 0 HB2 ASP A 113 21.193 -7.168 -16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.171 -8.538 -15.798 1.00 0.00 H new ATOM 1754 N ASP A 114 20.702 -5.326 -12.629 1.00 0.00 N ATOM 1755 CA ASP A 114 20.905 -3.921 -12.274 1.00 0.00 C ATOM 1756 C ASP A 114 22.077 -3.330 -13.057 1.00 0.00 C ATOM 1757 O ASP A 114 22.942 -2.733 -12.433 1.00 0.00 O ATOM 1758 CB ASP A 114 21.176 -3.792 -10.774 1.00 0.00 C ATOM 1759 CG ASP A 114 20.130 -4.570 -9.988 1.00 0.00 C ATOM 1760 OD1 ASP A 114 20.354 -5.745 -9.746 1.00 0.00 O ATOM 1761 OD2 ASP A 114 19.125 -3.981 -9.634 1.00 0.00 O ATOM 0 H ASP A 114 20.511 -5.941 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 114 19.999 -3.371 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 114 22.172 -4.169 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 114 21.156 -2.742 -10.481 1.00 0.00 H new TER 1766 ASP A 114