USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 715 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 75 ASN : amide:sc= 0.819 K(o=1.7,f=-4.9!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -146:sc= 0.9 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0.009 USER MOD Set 2.2: A 82 SER OG : rot 53:sc= 0.762 USER MOD Single : A 1 MET CE :methyl 169:sc= -1.6 (180deg=-2.15!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 170:sc=0.000929 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0415) USER MOD Single : A 32 SER OG : rot -130:sc= -1.57! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 34:sc= -0.792 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0.301 (180deg=0.298) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -2:sc= 0.348 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 62 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.94) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 GLN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.4!) USER MOD Single : A 94 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.503 -20.156 -3.493 1.00 4.77 N ATOM 2 CA MET A 1 -14.056 -18.791 -3.248 1.00 3.83 C ATOM 3 C MET A 1 -13.035 -17.947 -2.467 1.00 3.55 C ATOM 4 O MET A 1 -12.837 -18.136 -1.278 1.00 4.12 O ATOM 5 CB MET A 1 -15.363 -18.903 -2.449 1.00 4.02 C ATOM 6 CG MET A 1 -16.480 -18.172 -3.198 1.00 3.59 C ATOM 7 SD MET A 1 -18.089 -18.754 -2.607 1.00 4.19 S ATOM 8 CE MET A 1 -18.958 -18.638 -4.190 1.00 3.76 C ATOM 0 H1 MET A 1 -14.197 -20.722 -4.021 1.00 4.77 H new ATOM 0 H2 MET A 1 -12.625 -20.081 -4.046 1.00 4.77 H new ATOM 0 H3 MET A 1 -13.301 -20.617 -2.583 1.00 4.77 H new ATOM 0 HA MET A 1 -14.259 -18.306 -4.203 1.00 3.83 H new ATOM 0 HB2 MET A 1 -15.629 -19.951 -2.310 1.00 4.02 H new ATOM 0 HB3 MET A 1 -15.233 -18.472 -1.456 1.00 4.02 H new ATOM 0 HG2 MET A 1 -16.392 -17.097 -3.044 1.00 3.59 H new ATOM 0 HG3 MET A 1 -16.389 -18.349 -4.270 1.00 3.59 H new ATOM 0 HE1 MET A 1 -19.926 -19.134 -4.111 1.00 3.76 H new ATOM 0 HE2 MET A 1 -19.107 -17.589 -4.447 1.00 3.76 H new ATOM 0 HE3 MET A 1 -18.365 -19.121 -4.967 1.00 3.76 H new ATOM 20 N SER A 2 -12.387 -17.015 -3.134 1.00 2.83 N ATOM 21 CA SER A 2 -11.378 -16.146 -2.448 1.00 2.66 C ATOM 22 C SER A 2 -12.068 -14.899 -1.883 1.00 2.20 C ATOM 23 O SER A 2 -11.753 -14.453 -0.794 1.00 2.70 O ATOM 24 CB SER A 2 -10.291 -15.730 -3.448 1.00 2.62 C ATOM 25 OG SER A 2 -9.245 -16.692 -3.426 1.00 3.20 O ATOM 0 H SER A 2 -12.516 -16.821 -4.127 1.00 2.83 H new ATOM 0 HA SER A 2 -10.920 -16.702 -1.630 1.00 2.66 H new ATOM 0 HB2 SER A 2 -10.712 -15.655 -4.451 1.00 2.62 H new ATOM 0 HB3 SER A 2 -9.901 -14.745 -3.191 1.00 2.62 H new ATOM 0 HG SER A 2 -8.548 -16.432 -4.064 1.00 3.20 H new ATOM 31 N GLY A 3 -13.010 -14.335 -2.607 1.00 1.60 N ATOM 32 CA GLY A 3 -13.723 -13.124 -2.102 1.00 1.75 C ATOM 33 C GLY A 3 -14.847 -12.740 -3.066 1.00 1.70 C ATOM 34 O GLY A 3 -16.016 -12.873 -2.749 1.00 1.86 O ATOM 0 H GLY A 3 -13.312 -14.664 -3.524 1.00 1.60 H new ATOM 0 HA2 GLY A 3 -14.133 -13.320 -1.111 1.00 1.75 H new ATOM 0 HA3 GLY A 3 -13.022 -12.296 -1.999 1.00 1.75 H new ATOM 38 N GLY A 4 -14.500 -12.259 -4.237 1.00 1.80 N ATOM 39 CA GLY A 4 -15.543 -11.854 -5.225 1.00 1.98 C ATOM 40 C GLY A 4 -15.513 -12.793 -6.435 1.00 1.86 C ATOM 41 O GLY A 4 -15.127 -12.402 -7.521 1.00 2.10 O ATOM 0 H GLY A 4 -13.537 -12.130 -4.549 1.00 1.80 H new ATOM 0 HA2 GLY A 4 -16.528 -11.881 -4.758 1.00 1.98 H new ATOM 0 HA3 GLY A 4 -15.371 -10.827 -5.547 1.00 1.98 H new ATOM 45 N THR A 5 -15.929 -14.024 -6.251 1.00 1.74 N ATOM 46 CA THR A 5 -15.942 -14.999 -7.384 1.00 1.88 C ATOM 47 C THR A 5 -16.881 -16.166 -7.037 1.00 1.97 C ATOM 48 O THR A 5 -16.665 -16.891 -6.081 1.00 2.04 O ATOM 49 CB THR A 5 -14.512 -15.504 -7.664 1.00 1.98 C ATOM 50 OG1 THR A 5 -14.545 -16.492 -8.685 1.00 2.36 O ATOM 51 CG2 THR A 5 -13.885 -16.099 -6.395 1.00 1.87 C ATOM 0 H THR A 5 -16.261 -14.395 -5.361 1.00 1.74 H new ATOM 0 HA THR A 5 -16.308 -14.510 -8.287 1.00 1.88 H new ATOM 0 HB THR A 5 -13.905 -14.659 -7.988 1.00 1.98 H new ATOM 0 HG1 THR A 5 -13.635 -16.810 -8.862 1.00 2.36 H new ATOM 0 HG21 THR A 5 -12.877 -16.449 -6.617 1.00 1.87 H new ATOM 0 HG22 THR A 5 -13.842 -15.336 -5.618 1.00 1.87 H new ATOM 0 HG23 THR A 5 -14.491 -16.936 -6.048 1.00 1.87 H new ATOM 59 N ALA A 6 -17.932 -16.339 -7.805 1.00 2.21 N ATOM 60 CA ALA A 6 -18.901 -17.444 -7.529 1.00 2.52 C ATOM 61 C ALA A 6 -18.398 -18.741 -8.170 1.00 2.82 C ATOM 62 O ALA A 6 -18.235 -19.746 -7.501 1.00 2.93 O ATOM 63 CB ALA A 6 -20.270 -17.083 -8.112 1.00 2.79 C ATOM 0 H ALA A 6 -18.159 -15.760 -8.613 1.00 2.21 H new ATOM 0 HA ALA A 6 -18.991 -17.584 -6.452 1.00 2.52 H new ATOM 0 HB1 ALA A 6 -20.975 -17.889 -7.910 1.00 2.79 H new ATOM 0 HB2 ALA A 6 -20.630 -16.162 -7.653 1.00 2.79 H new ATOM 0 HB3 ALA A 6 -20.181 -16.940 -9.189 1.00 2.79 H new ATOM 69 N ALA A 7 -18.151 -18.722 -9.460 1.00 3.04 N ATOM 70 CA ALA A 7 -17.655 -19.945 -10.162 1.00 3.39 C ATOM 71 C ALA A 7 -16.487 -19.564 -11.081 1.00 3.38 C ATOM 72 O ALA A 7 -15.388 -20.070 -10.938 1.00 3.69 O ATOM 73 CB ALA A 7 -18.788 -20.559 -10.990 1.00 3.49 C ATOM 0 H ALA A 7 -18.273 -17.905 -10.058 1.00 3.04 H new ATOM 0 HA ALA A 7 -17.315 -20.675 -9.427 1.00 3.39 H new ATOM 0 HB1 ALA A 7 -18.424 -21.450 -11.501 1.00 3.49 H new ATOM 0 HB2 ALA A 7 -19.614 -20.830 -10.332 1.00 3.49 H new ATOM 0 HB3 ALA A 7 -19.134 -19.834 -11.727 1.00 3.49 H new ATOM 79 N THR A 8 -16.716 -18.669 -12.017 1.00 3.09 N ATOM 80 CA THR A 8 -15.623 -18.239 -12.948 1.00 3.13 C ATOM 81 C THR A 8 -15.217 -16.795 -12.625 1.00 2.87 C ATOM 82 O THR A 8 -14.046 -16.493 -12.478 1.00 2.99 O ATOM 83 CB THR A 8 -16.106 -18.326 -14.404 1.00 3.19 C ATOM 84 OG1 THR A 8 -17.376 -17.695 -14.532 1.00 3.01 O ATOM 85 CG2 THR A 8 -16.217 -19.794 -14.819 1.00 3.52 C ATOM 0 H THR A 8 -17.617 -18.217 -12.175 1.00 3.09 H new ATOM 0 HA THR A 8 -14.764 -18.898 -12.820 1.00 3.13 H new ATOM 0 HB THR A 8 -15.389 -17.819 -15.050 1.00 3.19 H new ATOM 0 HG1 THR A 8 -17.677 -17.752 -15.463 1.00 3.01 H new ATOM 0 HG21 THR A 8 -16.560 -19.855 -15.852 1.00 3.52 H new ATOM 0 HG22 THR A 8 -15.241 -20.272 -14.732 1.00 3.52 H new ATOM 0 HG23 THR A 8 -16.929 -20.303 -14.170 1.00 3.52 H new ATOM 93 N THR A 9 -16.178 -15.904 -12.510 1.00 2.59 N ATOM 94 CA THR A 9 -15.863 -14.475 -12.193 1.00 2.39 C ATOM 95 C THR A 9 -17.112 -13.785 -11.626 1.00 2.12 C ATOM 96 O THR A 9 -18.230 -14.088 -12.007 1.00 2.20 O ATOM 97 CB THR A 9 -15.387 -13.747 -13.464 1.00 2.47 C ATOM 98 OG1 THR A 9 -15.112 -12.386 -13.156 1.00 2.44 O ATOM 99 CG2 THR A 9 -16.465 -13.814 -14.550 1.00 2.42 C ATOM 0 H THR A 9 -17.171 -16.109 -12.623 1.00 2.59 H new ATOM 0 HA THR A 9 -15.067 -14.439 -11.449 1.00 2.39 H new ATOM 0 HB THR A 9 -14.483 -14.233 -13.831 1.00 2.47 H new ATOM 0 HG1 THR A 9 -14.807 -11.923 -13.964 1.00 2.44 H new ATOM 0 HG21 THR A 9 -16.115 -13.295 -15.443 1.00 2.42 H new ATOM 0 HG22 THR A 9 -16.672 -14.856 -14.793 1.00 2.42 H new ATOM 0 HG23 THR A 9 -17.376 -13.338 -14.188 1.00 2.42 H new ATOM 107 N ALA A 10 -16.921 -12.856 -10.718 1.00 1.94 N ATOM 108 CA ALA A 10 -18.080 -12.132 -10.115 1.00 1.75 C ATOM 109 C ALA A 10 -17.811 -10.622 -10.150 1.00 1.55 C ATOM 110 O ALA A 10 -16.699 -10.176 -9.925 1.00 1.74 O ATOM 111 CB ALA A 10 -18.262 -12.587 -8.664 1.00 2.01 C ATOM 0 H ALA A 10 -16.007 -12.569 -10.369 1.00 1.94 H new ATOM 0 HA ALA A 10 -18.985 -12.352 -10.681 1.00 1.75 H new ATOM 0 HB1 ALA A 10 -19.107 -12.060 -8.221 1.00 2.01 H new ATOM 0 HB2 ALA A 10 -18.450 -13.660 -8.640 1.00 2.01 H new ATOM 0 HB3 ALA A 10 -17.358 -12.365 -8.097 1.00 2.01 H new ATOM 117 N GLY A 11 -18.823 -9.832 -10.431 1.00 1.40 N ATOM 118 CA GLY A 11 -18.638 -8.348 -10.485 1.00 1.39 C ATOM 119 C GLY A 11 -18.896 -7.737 -9.103 1.00 1.33 C ATOM 120 O GLY A 11 -19.605 -6.754 -8.976 1.00 1.76 O ATOM 0 H GLY A 11 -19.771 -10.154 -10.625 1.00 1.40 H new ATOM 0 HA2 GLY A 11 -17.626 -8.111 -10.813 1.00 1.39 H new ATOM 0 HA3 GLY A 11 -19.320 -7.915 -11.216 1.00 1.39 H new ATOM 124 N SER A 12 -18.319 -8.310 -8.069 1.00 1.08 N ATOM 125 CA SER A 12 -18.516 -7.771 -6.690 1.00 1.02 C ATOM 126 C SER A 12 -17.167 -7.309 -6.126 1.00 0.85 C ATOM 127 O SER A 12 -17.022 -6.178 -5.700 1.00 0.96 O ATOM 128 CB SER A 12 -19.099 -8.863 -5.789 1.00 1.01 C ATOM 129 OG SER A 12 -20.378 -8.452 -5.320 1.00 1.52 O ATOM 0 H SER A 12 -17.718 -9.132 -8.126 1.00 1.08 H new ATOM 0 HA SER A 12 -19.205 -6.927 -6.726 1.00 1.02 H new ATOM 0 HB2 SER A 12 -19.185 -9.799 -6.341 1.00 1.01 H new ATOM 0 HB3 SER A 12 -18.433 -9.050 -4.947 1.00 1.01 H new ATOM 0 HG SER A 12 -20.755 -9.150 -4.744 1.00 1.52 H new ATOM 135 N LYS A 13 -16.180 -8.179 -6.126 1.00 0.67 N ATOM 136 CA LYS A 13 -14.833 -7.800 -5.593 1.00 0.60 C ATOM 137 C LYS A 13 -13.731 -8.354 -6.504 1.00 0.55 C ATOM 138 O LYS A 13 -13.968 -9.204 -7.346 1.00 0.63 O ATOM 139 CB LYS A 13 -14.649 -8.377 -4.185 1.00 0.61 C ATOM 140 CG LYS A 13 -15.390 -7.506 -3.171 1.00 0.76 C ATOM 141 CD LYS A 13 -14.892 -7.833 -1.762 1.00 0.99 C ATOM 142 CE LYS A 13 -15.922 -7.361 -0.732 1.00 1.21 C ATOM 143 NZ LYS A 13 -15.442 -7.684 0.644 1.00 2.00 N ATOM 0 H LYS A 13 -16.252 -9.135 -6.473 1.00 0.67 H new ATOM 0 HA LYS A 13 -14.766 -6.713 -5.558 1.00 0.60 H new ATOM 0 HB2 LYS A 13 -15.028 -9.398 -4.148 1.00 0.61 H new ATOM 0 HB3 LYS A 13 -13.589 -8.421 -3.935 1.00 0.61 H new ATOM 0 HG2 LYS A 13 -15.225 -6.451 -3.391 1.00 0.76 H new ATOM 0 HG3 LYS A 13 -16.464 -7.682 -3.239 1.00 0.76 H new ATOM 0 HD2 LYS A 13 -14.729 -8.906 -1.663 1.00 0.99 H new ATOM 0 HD3 LYS A 13 -13.933 -7.347 -1.582 1.00 0.99 H new ATOM 0 HE2 LYS A 13 -16.082 -6.287 -0.829 1.00 1.21 H new ATOM 0 HE3 LYS A 13 -16.882 -7.844 -0.916 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 -16.144 -7.362 1.341 1.00 2.00 H new ATOM 0 HZ2 LYS A 13 -15.311 -8.712 0.734 1.00 2.00 H new ATOM 0 HZ3 LYS A 13 -14.536 -7.203 0.817 1.00 2.00 H new ATOM 157 N VAL A 14 -12.522 -7.881 -6.324 1.00 0.58 N ATOM 158 CA VAL A 14 -11.378 -8.369 -7.149 1.00 0.60 C ATOM 159 C VAL A 14 -10.341 -9.008 -6.217 1.00 0.59 C ATOM 160 O VAL A 14 -9.850 -8.379 -5.295 1.00 0.62 O ATOM 161 CB VAL A 14 -10.756 -7.199 -7.933 1.00 0.64 C ATOM 162 CG1 VAL A 14 -11.694 -6.793 -9.074 1.00 0.69 C ATOM 163 CG2 VAL A 14 -10.543 -5.995 -7.007 1.00 0.65 C ATOM 0 H VAL A 14 -12.279 -7.171 -5.633 1.00 0.58 H new ATOM 0 HA VAL A 14 -11.725 -9.110 -7.869 1.00 0.60 H new ATOM 0 HB VAL A 14 -9.795 -7.517 -8.336 1.00 0.64 H new ATOM 0 HG11 VAL A 14 -11.254 -5.965 -9.629 1.00 0.69 H new ATOM 0 HG12 VAL A 14 -11.841 -7.641 -9.743 1.00 0.69 H new ATOM 0 HG13 VAL A 14 -12.655 -6.484 -8.663 1.00 0.69 H new ATOM 0 HG21 VAL A 14 -10.103 -5.174 -7.573 1.00 0.65 H new ATOM 0 HG22 VAL A 14 -11.501 -5.679 -6.595 1.00 0.65 H new ATOM 0 HG23 VAL A 14 -9.873 -6.275 -6.194 1.00 0.65 H new ATOM 173 N THR A 15 -10.025 -10.261 -6.440 1.00 0.59 N ATOM 174 CA THR A 15 -9.039 -10.966 -5.559 1.00 0.59 C ATOM 175 C THR A 15 -7.655 -10.962 -6.213 1.00 0.53 C ATOM 176 O THR A 15 -7.520 -11.103 -7.415 1.00 0.57 O ATOM 177 CB THR A 15 -9.498 -12.412 -5.320 1.00 0.65 C ATOM 178 OG1 THR A 15 -9.868 -13.011 -6.556 1.00 0.68 O ATOM 179 CG2 THR A 15 -10.696 -12.416 -4.367 1.00 0.78 C ATOM 0 H THR A 15 -10.408 -10.828 -7.196 1.00 0.59 H new ATOM 0 HA THR A 15 -8.980 -10.445 -4.603 1.00 0.59 H new ATOM 0 HB THR A 15 -8.680 -12.981 -4.878 1.00 0.65 H new ATOM 0 HG1 THR A 15 -10.158 -13.934 -6.398 1.00 0.68 H new ATOM 0 HG21 THR A 15 -11.022 -13.442 -4.197 1.00 0.78 H new ATOM 0 HG22 THR A 15 -10.407 -11.965 -3.418 1.00 0.78 H new ATOM 0 HG23 THR A 15 -11.513 -11.844 -4.807 1.00 0.78 H new ATOM 187 N PHE A 16 -6.627 -10.789 -5.419 1.00 0.52 N ATOM 188 CA PHE A 16 -5.239 -10.760 -5.966 1.00 0.49 C ATOM 189 C PHE A 16 -4.374 -11.799 -5.245 1.00 0.49 C ATOM 190 O PHE A 16 -4.435 -11.942 -4.037 1.00 0.59 O ATOM 191 CB PHE A 16 -4.641 -9.367 -5.749 1.00 0.50 C ATOM 192 CG PHE A 16 -5.532 -8.321 -6.383 1.00 0.49 C ATOM 193 CD1 PHE A 16 -5.602 -8.213 -7.776 1.00 0.59 C ATOM 194 CD2 PHE A 16 -6.288 -7.459 -5.576 1.00 0.54 C ATOM 195 CE1 PHE A 16 -6.424 -7.245 -8.364 1.00 0.64 C ATOM 196 CE2 PHE A 16 -7.109 -6.492 -6.165 1.00 0.62 C ATOM 197 CZ PHE A 16 -7.179 -6.385 -7.559 1.00 0.63 C ATOM 0 H PHE A 16 -6.693 -10.666 -4.409 1.00 0.52 H new ATOM 0 HA PHE A 16 -5.266 -10.991 -7.031 1.00 0.49 H new ATOM 0 HB2 PHE A 16 -4.535 -9.169 -4.682 1.00 0.50 H new ATOM 0 HB3 PHE A 16 -3.642 -9.318 -6.183 1.00 0.50 H new ATOM 0 HD1 PHE A 16 -5.021 -8.877 -8.398 1.00 0.59 H new ATOM 0 HD2 PHE A 16 -6.236 -7.542 -4.500 1.00 0.54 H new ATOM 0 HE1 PHE A 16 -6.476 -7.162 -9.440 1.00 0.64 H new ATOM 0 HE2 PHE A 16 -7.690 -5.827 -5.543 1.00 0.62 H new ATOM 0 HZ PHE A 16 -7.815 -5.639 -8.013 1.00 0.63 H new ATOM 207 N LYS A 17 -3.562 -12.514 -5.982 1.00 0.47 N ATOM 208 CA LYS A 17 -2.677 -13.543 -5.359 1.00 0.49 C ATOM 209 C LYS A 17 -1.224 -13.062 -5.440 1.00 0.46 C ATOM 210 O LYS A 17 -0.652 -12.978 -6.510 1.00 0.51 O ATOM 211 CB LYS A 17 -2.831 -14.872 -6.107 1.00 0.57 C ATOM 212 CG LYS A 17 -2.854 -16.026 -5.103 1.00 0.89 C ATOM 213 CD LYS A 17 -3.286 -17.308 -5.816 1.00 1.23 C ATOM 214 CE LYS A 17 -3.852 -18.298 -4.793 1.00 1.58 C ATOM 215 NZ LYS A 17 -3.158 -19.614 -4.924 1.00 2.11 N ATOM 0 H LYS A 17 -3.474 -12.428 -6.995 1.00 0.47 H new ATOM 0 HA LYS A 17 -2.955 -13.691 -4.315 1.00 0.49 H new ATOM 0 HB2 LYS A 17 -3.751 -14.867 -6.692 1.00 0.57 H new ATOM 0 HB3 LYS A 17 -2.007 -15.004 -6.809 1.00 0.57 H new ATOM 0 HG2 LYS A 17 -1.867 -16.158 -4.660 1.00 0.89 H new ATOM 0 HG3 LYS A 17 -3.541 -15.800 -4.288 1.00 0.89 H new ATOM 0 HD2 LYS A 17 -4.038 -17.080 -6.572 1.00 1.23 H new ATOM 0 HD3 LYS A 17 -2.436 -17.752 -6.335 1.00 1.23 H new ATOM 0 HE2 LYS A 17 -3.722 -17.907 -3.784 1.00 1.58 H new ATOM 0 HE3 LYS A 17 -4.923 -18.424 -4.950 1.00 1.58 H new ATOM 0 HZ1 LYS A 17 -3.546 -20.282 -4.228 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -3.304 -19.990 -5.883 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -2.140 -19.488 -4.753 1.00 2.11 H new ATOM 229 N ILE A 18 -0.631 -12.734 -4.316 1.00 0.44 N ATOM 230 CA ILE A 18 0.781 -12.242 -4.320 1.00 0.44 C ATOM 231 C ILE A 18 1.686 -13.249 -3.596 1.00 0.44 C ATOM 232 O ILE A 18 1.620 -13.401 -2.389 1.00 0.47 O ATOM 233 CB ILE A 18 0.853 -10.880 -3.611 1.00 0.45 C ATOM 234 CG1 ILE A 18 -0.095 -9.886 -4.295 1.00 0.50 C ATOM 235 CG2 ILE A 18 2.282 -10.338 -3.680 1.00 0.52 C ATOM 236 CD1 ILE A 18 -1.265 -9.565 -3.361 1.00 0.65 C ATOM 0 H ILE A 18 -1.066 -12.787 -3.395 1.00 0.44 H new ATOM 0 HA ILE A 18 1.120 -12.133 -5.350 1.00 0.44 H new ATOM 0 HB ILE A 18 0.558 -11.007 -2.569 1.00 0.45 H new ATOM 0 HG12 ILE A 18 0.442 -8.972 -4.549 1.00 0.50 H new ATOM 0 HG13 ILE A 18 -0.467 -10.307 -5.229 1.00 0.50 H new ATOM 0 HG21 ILE A 18 2.330 -9.372 -3.177 1.00 0.52 H new ATOM 0 HG22 ILE A 18 2.960 -11.037 -3.190 1.00 0.52 H new ATOM 0 HG23 ILE A 18 2.576 -10.218 -4.723 1.00 0.52 H new ATOM 0 HD11 ILE A 18 -1.937 -8.859 -3.849 1.00 0.65 H new ATOM 0 HD12 ILE A 18 -1.808 -10.481 -3.129 1.00 0.65 H new ATOM 0 HD13 ILE A 18 -0.884 -9.126 -2.439 1.00 0.65 H new ATOM 248 N THR A 19 2.535 -13.929 -4.332 1.00 0.46 N ATOM 249 CA THR A 19 3.462 -14.925 -3.706 1.00 0.50 C ATOM 250 C THR A 19 4.873 -14.322 -3.627 1.00 0.49 C ATOM 251 O THR A 19 5.376 -13.776 -4.593 1.00 0.54 O ATOM 252 CB THR A 19 3.495 -16.205 -4.555 1.00 0.56 C ATOM 253 OG1 THR A 19 2.167 -16.666 -4.774 1.00 0.69 O ATOM 254 CG2 THR A 19 4.295 -17.286 -3.826 1.00 0.68 C ATOM 0 H THR A 19 2.625 -13.836 -5.344 1.00 0.46 H new ATOM 0 HA THR A 19 3.112 -15.170 -2.703 1.00 0.50 H new ATOM 0 HB THR A 19 3.968 -15.989 -5.513 1.00 0.56 H new ATOM 0 HG1 THR A 19 2.189 -17.481 -5.317 1.00 0.69 H new ATOM 0 HG21 THR A 19 4.317 -18.193 -4.431 1.00 0.68 H new ATOM 0 HG22 THR A 19 5.314 -16.936 -3.661 1.00 0.68 H new ATOM 0 HG23 THR A 19 3.825 -17.501 -2.866 1.00 0.68 H new ATOM 262 N LEU A 20 5.509 -14.414 -2.480 1.00 0.49 N ATOM 263 CA LEU A 20 6.888 -13.845 -2.324 1.00 0.50 C ATOM 264 C LEU A 20 7.870 -14.610 -3.221 1.00 0.53 C ATOM 265 O LEU A 20 7.973 -15.823 -3.154 1.00 0.67 O ATOM 266 CB LEU A 20 7.334 -13.960 -0.860 1.00 0.54 C ATOM 267 CG LEU A 20 7.832 -12.599 -0.365 1.00 0.65 C ATOM 268 CD1 LEU A 20 7.922 -12.611 1.164 1.00 0.95 C ATOM 269 CD2 LEU A 20 9.218 -12.312 -0.955 1.00 0.79 C ATOM 0 H LEU A 20 5.131 -14.860 -1.644 1.00 0.49 H new ATOM 0 HA LEU A 20 6.876 -12.795 -2.616 1.00 0.50 H new ATOM 0 HB2 LEU A 20 6.503 -14.301 -0.242 1.00 0.54 H new ATOM 0 HB3 LEU A 20 8.126 -14.703 -0.768 1.00 0.54 H new ATOM 0 HG LEU A 20 7.135 -11.823 -0.682 1.00 0.65 H new ATOM 0 HD11 LEU A 20 8.277 -11.642 1.515 1.00 0.95 H new ATOM 0 HD12 LEU A 20 6.937 -12.811 1.585 1.00 0.95 H new ATOM 0 HD13 LEU A 20 8.617 -13.388 1.481 1.00 0.95 H new ATOM 0 HD21 LEU A 20 9.570 -11.343 -0.601 1.00 0.79 H new ATOM 0 HD22 LEU A 20 9.915 -13.089 -0.640 1.00 0.79 H new ATOM 0 HD23 LEU A 20 9.155 -12.300 -2.043 1.00 0.79 H new ATOM 281 N THR A 21 8.592 -13.901 -4.059 1.00 0.54 N ATOM 282 CA THR A 21 9.576 -14.562 -4.973 1.00 0.59 C ATOM 283 C THR A 21 10.902 -14.789 -4.232 1.00 0.58 C ATOM 284 O THR A 21 11.516 -15.833 -4.359 1.00 0.66 O ATOM 285 CB THR A 21 9.820 -13.675 -6.204 1.00 0.68 C ATOM 286 OG1 THR A 21 10.174 -12.361 -5.789 1.00 0.73 O ATOM 287 CG2 THR A 21 8.548 -13.615 -7.057 1.00 0.80 C ATOM 0 H THR A 21 8.540 -12.886 -4.148 1.00 0.54 H new ATOM 0 HA THR A 21 9.174 -15.523 -5.295 1.00 0.59 H new ATOM 0 HB THR A 21 10.633 -14.099 -6.793 1.00 0.68 H new ATOM 0 HG1 THR A 21 10.484 -11.846 -6.563 1.00 0.73 H new ATOM 0 HG21 THR A 21 8.724 -12.985 -7.929 1.00 0.80 H new ATOM 0 HG22 THR A 21 8.281 -14.620 -7.383 1.00 0.80 H new ATOM 0 HG23 THR A 21 7.733 -13.197 -6.466 1.00 0.80 H new ATOM 295 N SER A 22 11.344 -13.818 -3.459 1.00 0.56 N ATOM 296 CA SER A 22 12.628 -13.965 -2.702 1.00 0.60 C ATOM 297 C SER A 22 12.520 -15.132 -1.711 1.00 0.57 C ATOM 298 O SER A 22 13.472 -15.860 -1.494 1.00 0.67 O ATOM 299 CB SER A 22 12.919 -12.673 -1.933 1.00 0.64 C ATOM 300 OG SER A 22 13.696 -11.804 -2.747 1.00 1.05 O ATOM 0 H SER A 22 10.866 -12.928 -3.322 1.00 0.56 H new ATOM 0 HA SER A 22 13.436 -14.164 -3.406 1.00 0.60 H new ATOM 0 HB2 SER A 22 11.985 -12.187 -1.651 1.00 0.64 H new ATOM 0 HB3 SER A 22 13.453 -12.899 -1.010 1.00 0.64 H new ATOM 0 HG SER A 22 13.882 -10.976 -2.257 1.00 1.05 H new ATOM 306 N ASP A 23 11.363 -15.311 -1.112 1.00 0.53 N ATOM 307 CA ASP A 23 11.171 -16.426 -0.133 1.00 0.57 C ATOM 308 C ASP A 23 11.281 -17.779 -0.853 1.00 0.61 C ATOM 309 O ASP A 23 10.777 -17.933 -1.953 1.00 0.66 O ATOM 310 CB ASP A 23 9.782 -16.301 0.504 1.00 0.60 C ATOM 311 CG ASP A 23 9.805 -16.866 1.928 1.00 0.82 C ATOM 312 OD1 ASP A 23 10.225 -16.151 2.824 1.00 0.99 O ATOM 313 OD2 ASP A 23 9.396 -18.003 2.099 1.00 1.03 O ATOM 0 H ASP A 23 10.540 -14.727 -1.262 1.00 0.53 H new ATOM 0 HA ASP A 23 11.940 -16.367 0.637 1.00 0.57 H new ATOM 0 HB2 ASP A 23 9.475 -15.255 0.524 1.00 0.60 H new ATOM 0 HB3 ASP A 23 9.048 -16.837 -0.097 1.00 0.60 H new ATOM 318 N PRO A 24 11.929 -18.725 -0.206 1.00 0.67 N ATOM 319 CA PRO A 24 12.115 -20.083 -0.760 1.00 0.77 C ATOM 320 C PRO A 24 10.807 -20.887 -0.665 1.00 0.76 C ATOM 321 O PRO A 24 10.543 -21.747 -1.486 1.00 0.84 O ATOM 322 CB PRO A 24 13.210 -20.687 0.126 1.00 0.87 C ATOM 323 CG PRO A 24 13.191 -19.889 1.449 1.00 0.83 C ATOM 324 CD PRO A 24 12.532 -18.533 1.133 1.00 0.70 C ATOM 0 HA PRO A 24 12.387 -20.085 -1.815 1.00 0.77 H new ATOM 0 HB2 PRO A 24 13.022 -21.745 0.308 1.00 0.87 H new ATOM 0 HB3 PRO A 24 14.184 -20.615 -0.357 1.00 0.87 H new ATOM 0 HG2 PRO A 24 12.630 -20.423 2.216 1.00 0.83 H new ATOM 0 HG3 PRO A 24 14.202 -19.749 1.832 1.00 0.83 H new ATOM 0 HD2 PRO A 24 11.778 -18.274 1.876 1.00 0.70 H new ATOM 0 HD3 PRO A 24 13.265 -17.726 1.128 1.00 0.70 H new ATOM 332 N LYS A 25 9.987 -20.604 0.324 1.00 0.71 N ATOM 333 CA LYS A 25 8.691 -21.337 0.474 1.00 0.71 C ATOM 334 C LYS A 25 7.666 -20.800 -0.534 1.00 0.67 C ATOM 335 O LYS A 25 6.747 -21.501 -0.920 1.00 0.72 O ATOM 336 CB LYS A 25 8.153 -21.130 1.891 1.00 0.75 C ATOM 337 CG LYS A 25 8.477 -22.353 2.746 1.00 1.02 C ATOM 338 CD LYS A 25 9.223 -21.913 4.009 1.00 1.55 C ATOM 339 CE LYS A 25 9.912 -23.129 4.638 1.00 2.17 C ATOM 340 NZ LYS A 25 9.281 -23.432 5.956 1.00 3.12 N ATOM 0 H LYS A 25 10.163 -19.894 1.035 1.00 0.71 H new ATOM 0 HA LYS A 25 8.858 -22.398 0.290 1.00 0.71 H new ATOM 0 HB2 LYS A 25 8.596 -20.237 2.332 1.00 0.75 H new ATOM 0 HB3 LYS A 25 7.075 -20.969 1.862 1.00 0.75 H new ATOM 0 HG2 LYS A 25 7.559 -22.874 3.017 1.00 1.02 H new ATOM 0 HG3 LYS A 25 9.086 -23.056 2.178 1.00 1.02 H new ATOM 0 HD2 LYS A 25 9.961 -21.149 3.762 1.00 1.55 H new ATOM 0 HD3 LYS A 25 8.527 -21.466 4.720 1.00 1.55 H new ATOM 0 HE2 LYS A 25 9.828 -23.991 3.976 1.00 2.17 H new ATOM 0 HE3 LYS A 25 10.976 -22.930 4.769 1.00 2.17 H new ATOM 0 HZ1 LYS A 25 9.748 -24.257 6.383 1.00 3.12 H new ATOM 0 HZ2 LYS A 25 9.383 -22.611 6.587 1.00 3.12 H new ATOM 0 HZ3 LYS A 25 8.271 -23.639 5.818 1.00 3.12 H new ATOM 354 N LEU A 26 7.813 -19.560 -0.952 1.00 0.62 N ATOM 355 CA LEU A 26 6.852 -18.955 -1.924 1.00 0.62 C ATOM 356 C LEU A 26 5.449 -18.904 -1.289 1.00 0.59 C ATOM 357 O LEU A 26 4.530 -19.563 -1.745 1.00 0.62 O ATOM 358 CB LEU A 26 6.834 -19.784 -3.216 1.00 0.69 C ATOM 359 CG LEU A 26 7.561 -19.022 -4.325 1.00 0.89 C ATOM 360 CD1 LEU A 26 9.004 -19.528 -4.439 1.00 1.19 C ATOM 361 CD2 LEU A 26 6.830 -19.247 -5.651 1.00 1.24 C ATOM 0 H LEU A 26 8.566 -18.940 -0.655 1.00 0.62 H new ATOM 0 HA LEU A 26 7.163 -17.940 -2.170 1.00 0.62 H new ATOM 0 HB2 LEU A 26 7.314 -20.748 -3.048 1.00 0.69 H new ATOM 0 HB3 LEU A 26 5.806 -19.988 -3.515 1.00 0.69 H new ATOM 0 HG LEU A 26 7.574 -17.958 -4.090 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.519 -18.983 -5.230 1.00 1.19 H new ATOM 0 HD12 LEU A 26 9.521 -19.369 -3.493 1.00 1.19 H new ATOM 0 HD13 LEU A 26 8.999 -20.592 -4.675 1.00 1.19 H new ATOM 0 HD21 LEU A 26 7.344 -18.706 -6.446 1.00 1.24 H new ATOM 0 HD22 LEU A 26 6.819 -20.312 -5.885 1.00 1.24 H new ATOM 0 HD23 LEU A 26 5.806 -18.884 -5.568 1.00 1.24 H new ATOM 373 N PRO A 27 5.334 -18.112 -0.245 1.00 0.56 N ATOM 374 CA PRO A 27 4.069 -17.934 0.495 1.00 0.57 C ATOM 375 C PRO A 27 3.111 -17.019 -0.284 1.00 0.55 C ATOM 376 O PRO A 27 3.352 -15.833 -0.431 1.00 0.63 O ATOM 377 CB PRO A 27 4.512 -17.289 1.814 1.00 0.59 C ATOM 378 CG PRO A 27 5.883 -16.626 1.538 1.00 0.60 C ATOM 379 CD PRO A 27 6.463 -17.320 0.294 1.00 0.58 C ATOM 0 HA PRO A 27 3.525 -18.866 0.649 1.00 0.57 H new ATOM 0 HB2 PRO A 27 3.784 -16.550 2.149 1.00 0.59 H new ATOM 0 HB3 PRO A 27 4.594 -18.036 2.603 1.00 0.59 H new ATOM 0 HG2 PRO A 27 5.769 -15.556 1.367 1.00 0.60 H new ATOM 0 HG3 PRO A 27 6.549 -16.743 2.393 1.00 0.60 H new ATOM 0 HD2 PRO A 27 6.823 -16.594 -0.435 1.00 0.58 H new ATOM 0 HD3 PRO A 27 7.308 -17.958 0.552 1.00 0.58 H new ATOM 387 N PHE A 28 2.029 -17.570 -0.782 1.00 0.56 N ATOM 388 CA PHE A 28 1.039 -16.754 -1.558 1.00 0.55 C ATOM 389 C PHE A 28 0.082 -16.031 -0.596 1.00 0.49 C ATOM 390 O PHE A 28 -0.144 -16.471 0.518 1.00 0.54 O ATOM 391 CB PHE A 28 0.236 -17.672 -2.498 1.00 0.63 C ATOM 392 CG PHE A 28 -0.686 -18.568 -1.693 1.00 0.69 C ATOM 393 CD1 PHE A 28 -1.982 -18.138 -1.379 1.00 0.73 C ATOM 394 CD2 PHE A 28 -0.242 -19.824 -1.257 1.00 0.83 C ATOM 395 CE1 PHE A 28 -2.832 -18.962 -0.631 1.00 0.88 C ATOM 396 CE2 PHE A 28 -1.093 -20.646 -0.509 1.00 0.96 C ATOM 397 CZ PHE A 28 -2.387 -20.215 -0.196 1.00 0.97 C ATOM 0 H PHE A 28 1.787 -18.556 -0.684 1.00 0.56 H new ATOM 0 HA PHE A 28 1.575 -16.011 -2.149 1.00 0.55 H new ATOM 0 HB2 PHE A 28 -0.347 -17.070 -3.195 1.00 0.63 H new ATOM 0 HB3 PHE A 28 0.917 -18.280 -3.094 1.00 0.63 H new ATOM 0 HD1 PHE A 28 -2.326 -17.170 -1.714 1.00 0.73 H new ATOM 0 HD2 PHE A 28 0.757 -20.157 -1.498 1.00 0.83 H new ATOM 0 HE1 PHE A 28 -3.831 -18.630 -0.390 1.00 0.88 H new ATOM 0 HE2 PHE A 28 -0.751 -21.614 -0.173 1.00 0.96 H new ATOM 0 HZ PHE A 28 -3.042 -20.850 0.382 1.00 0.97 H new ATOM 407 N LYS A 29 -0.481 -14.929 -1.029 1.00 0.48 N ATOM 408 CA LYS A 29 -1.432 -14.165 -0.163 1.00 0.48 C ATOM 409 C LYS A 29 -2.663 -13.763 -0.984 1.00 0.45 C ATOM 410 O LYS A 29 -2.547 -13.292 -2.103 1.00 0.51 O ATOM 411 CB LYS A 29 -0.741 -12.908 0.380 1.00 0.56 C ATOM 412 CG LYS A 29 -1.449 -12.450 1.658 1.00 0.79 C ATOM 413 CD LYS A 29 -1.101 -10.987 1.944 1.00 0.81 C ATOM 414 CE LYS A 29 -1.925 -10.491 3.141 1.00 0.87 C ATOM 415 NZ LYS A 29 -2.950 -9.506 2.684 1.00 1.17 N ATOM 0 H LYS A 29 -0.321 -14.524 -1.951 1.00 0.48 H new ATOM 0 HA LYS A 29 -1.743 -14.792 0.672 1.00 0.48 H new ATOM 0 HB2 LYS A 29 0.308 -13.117 0.588 1.00 0.56 H new ATOM 0 HB3 LYS A 29 -0.766 -12.115 -0.367 1.00 0.56 H new ATOM 0 HG2 LYS A 29 -2.528 -12.563 1.548 1.00 0.79 H new ATOM 0 HG3 LYS A 29 -1.147 -13.077 2.497 1.00 0.79 H new ATOM 0 HD2 LYS A 29 -0.036 -10.890 2.156 1.00 0.81 H new ATOM 0 HD3 LYS A 29 -1.308 -10.374 1.067 1.00 0.81 H new ATOM 0 HE2 LYS A 29 -2.412 -11.334 3.632 1.00 0.87 H new ATOM 0 HE3 LYS A 29 -1.268 -10.029 3.878 1.00 0.87 H new ATOM 0 HZ1 LYS A 29 -3.375 -9.038 3.510 1.00 1.17 H new ATOM 0 HZ2 LYS A 29 -2.499 -8.793 2.076 1.00 1.17 H new ATOM 0 HZ3 LYS A 29 -3.691 -10.000 2.147 1.00 1.17 H new ATOM 429 N VAL A 30 -3.838 -13.950 -0.434 1.00 0.47 N ATOM 430 CA VAL A 30 -5.088 -13.589 -1.171 1.00 0.49 C ATOM 431 C VAL A 30 -5.620 -12.245 -0.653 1.00 0.45 C ATOM 432 O VAL A 30 -5.936 -12.102 0.516 1.00 0.59 O ATOM 433 CB VAL A 30 -6.141 -14.686 -0.957 1.00 0.63 C ATOM 434 CG1 VAL A 30 -7.417 -14.335 -1.726 1.00 0.76 C ATOM 435 CG2 VAL A 30 -5.594 -16.025 -1.465 1.00 0.72 C ATOM 0 H VAL A 30 -3.985 -14.339 0.497 1.00 0.47 H new ATOM 0 HA VAL A 30 -4.872 -13.501 -2.236 1.00 0.49 H new ATOM 0 HB VAL A 30 -6.369 -14.763 0.106 1.00 0.63 H new ATOM 0 HG11 VAL A 30 -8.161 -15.116 -1.571 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.809 -13.384 -1.366 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.191 -14.255 -2.789 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -6.341 -16.804 -1.313 1.00 0.72 H new ATOM 0 HG22 VAL A 30 -5.364 -15.945 -2.527 1.00 0.72 H new ATOM 0 HG23 VAL A 30 -4.688 -16.280 -0.916 1.00 0.72 H new ATOM 445 N LEU A 31 -5.717 -11.263 -1.520 1.00 0.40 N ATOM 446 CA LEU A 31 -6.225 -9.919 -1.100 1.00 0.38 C ATOM 447 C LEU A 31 -7.551 -9.627 -1.815 1.00 0.39 C ATOM 448 O LEU A 31 -7.585 -9.409 -3.014 1.00 0.49 O ATOM 449 CB LEU A 31 -5.193 -8.846 -1.471 1.00 0.40 C ATOM 450 CG LEU A 31 -4.682 -8.157 -0.204 1.00 0.52 C ATOM 451 CD1 LEU A 31 -3.231 -7.718 -0.416 1.00 0.72 C ATOM 452 CD2 LEU A 31 -5.548 -6.930 0.097 1.00 0.83 C ATOM 0 H LEU A 31 -5.464 -11.337 -2.505 1.00 0.40 H new ATOM 0 HA LEU A 31 -6.386 -9.910 -0.022 1.00 0.38 H new ATOM 0 HB2 LEU A 31 -4.361 -9.300 -2.010 1.00 0.40 H new ATOM 0 HB3 LEU A 31 -5.643 -8.111 -2.139 1.00 0.40 H new ATOM 0 HG LEU A 31 -4.735 -8.851 0.635 1.00 0.52 H new ATOM 0 HD11 LEU A 31 -2.864 -7.227 0.485 1.00 0.72 H new ATOM 0 HD12 LEU A 31 -2.614 -8.591 -0.630 1.00 0.72 H new ATOM 0 HD13 LEU A 31 -3.180 -7.023 -1.254 1.00 0.72 H new ATOM 0 HD21 LEU A 31 -5.183 -6.440 1.000 1.00 0.83 H new ATOM 0 HD22 LEU A 31 -5.496 -6.234 -0.740 1.00 0.83 H new ATOM 0 HD23 LEU A 31 -6.582 -7.242 0.246 1.00 0.83 H new ATOM 464 N SER A 32 -8.642 -9.621 -1.084 1.00 0.41 N ATOM 465 CA SER A 32 -9.972 -9.342 -1.708 1.00 0.46 C ATOM 466 C SER A 32 -10.394 -7.901 -1.397 1.00 0.45 C ATOM 467 O SER A 32 -10.527 -7.518 -0.247 1.00 0.50 O ATOM 468 CB SER A 32 -11.019 -10.308 -1.151 1.00 0.57 C ATOM 469 OG SER A 32 -12.133 -10.350 -2.035 1.00 0.94 O ATOM 0 H SER A 32 -8.666 -9.798 -0.080 1.00 0.41 H new ATOM 0 HA SER A 32 -9.895 -9.475 -2.787 1.00 0.46 H new ATOM 0 HB2 SER A 32 -10.590 -11.304 -1.040 1.00 0.57 H new ATOM 0 HB3 SER A 32 -11.338 -9.986 -0.160 1.00 0.57 H new ATOM 0 HG SER A 32 -12.960 -10.220 -1.525 1.00 0.94 H new ATOM 475 N VAL A 33 -10.607 -7.105 -2.418 1.00 0.44 N ATOM 476 CA VAL A 33 -11.028 -5.683 -2.205 1.00 0.45 C ATOM 477 C VAL A 33 -12.113 -5.313 -3.228 1.00 0.48 C ATOM 478 O VAL A 33 -12.229 -5.947 -4.260 1.00 0.51 O ATOM 479 CB VAL A 33 -9.820 -4.747 -2.374 1.00 0.44 C ATOM 480 CG1 VAL A 33 -8.861 -4.917 -1.192 1.00 0.58 C ATOM 481 CG2 VAL A 33 -9.083 -5.073 -3.678 1.00 0.53 C ATOM 0 H VAL A 33 -10.507 -7.381 -3.395 1.00 0.44 H new ATOM 0 HA VAL A 33 -11.424 -5.574 -1.196 1.00 0.45 H new ATOM 0 HB VAL A 33 -10.175 -3.717 -2.408 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -8.007 -4.251 -1.318 1.00 0.58 H new ATOM 0 HG12 VAL A 33 -9.379 -4.672 -0.265 1.00 0.58 H new ATOM 0 HG13 VAL A 33 -8.513 -5.949 -1.151 1.00 0.58 H new ATOM 0 HG21 VAL A 33 -8.229 -4.405 -3.790 1.00 0.53 H new ATOM 0 HG22 VAL A 33 -8.735 -6.106 -3.651 1.00 0.53 H new ATOM 0 HG23 VAL A 33 -9.760 -4.940 -4.522 1.00 0.53 H new ATOM 491 N PRO A 34 -12.878 -4.290 -2.910 1.00 0.50 N ATOM 492 CA PRO A 34 -13.966 -3.810 -3.786 1.00 0.55 C ATOM 493 C PRO A 34 -13.399 -3.002 -4.961 1.00 0.52 C ATOM 494 O PRO A 34 -12.359 -2.370 -4.845 1.00 0.49 O ATOM 495 CB PRO A 34 -14.807 -2.924 -2.863 1.00 0.60 C ATOM 496 CG PRO A 34 -13.877 -2.493 -1.704 1.00 0.56 C ATOM 497 CD PRO A 34 -12.729 -3.519 -1.656 1.00 0.50 C ATOM 0 HA PRO A 34 -14.544 -4.619 -4.232 1.00 0.55 H new ATOM 0 HB2 PRO A 34 -15.187 -2.055 -3.400 1.00 0.60 H new ATOM 0 HB3 PRO A 34 -15.672 -3.468 -2.485 1.00 0.60 H new ATOM 0 HG2 PRO A 34 -13.491 -1.487 -1.870 1.00 0.56 H new ATOM 0 HG3 PRO A 34 -14.419 -2.474 -0.759 1.00 0.56 H new ATOM 0 HD2 PRO A 34 -11.758 -3.027 -1.604 1.00 0.50 H new ATOM 0 HD3 PRO A 34 -12.807 -4.164 -0.781 1.00 0.50 H new ATOM 505 N GLU A 35 -14.082 -3.022 -6.087 1.00 0.58 N ATOM 506 CA GLU A 35 -13.609 -2.261 -7.288 1.00 0.59 C ATOM 507 C GLU A 35 -13.647 -0.760 -6.974 1.00 0.59 C ATOM 508 O GLU A 35 -14.595 -0.062 -7.291 1.00 0.67 O ATOM 509 CB GLU A 35 -14.513 -2.574 -8.488 1.00 0.67 C ATOM 510 CG GLU A 35 -14.007 -3.834 -9.200 1.00 0.68 C ATOM 511 CD GLU A 35 -14.906 -5.024 -8.847 1.00 0.78 C ATOM 512 OE1 GLU A 35 -14.656 -5.650 -7.830 1.00 0.95 O ATOM 513 OE2 GLU A 35 -15.830 -5.290 -9.600 1.00 1.00 O ATOM 0 H GLU A 35 -14.952 -3.537 -6.223 1.00 0.58 H new ATOM 0 HA GLU A 35 -12.588 -2.554 -7.534 1.00 0.59 H new ATOM 0 HB2 GLU A 35 -15.540 -2.721 -8.154 1.00 0.67 H new ATOM 0 HB3 GLU A 35 -14.520 -1.732 -9.180 1.00 0.67 H new ATOM 0 HG2 GLU A 35 -14.003 -3.677 -10.279 1.00 0.68 H new ATOM 0 HG3 GLU A 35 -12.979 -4.042 -8.904 1.00 0.68 H new ATOM 520 N SER A 36 -12.613 -0.276 -6.333 1.00 0.54 N ATOM 521 CA SER A 36 -12.535 1.168 -5.952 1.00 0.57 C ATOM 522 C SER A 36 -11.202 1.423 -5.237 1.00 0.50 C ATOM 523 O SER A 36 -10.562 2.438 -5.449 1.00 0.53 O ATOM 524 CB SER A 36 -13.694 1.528 -5.013 1.00 0.65 C ATOM 525 OG SER A 36 -13.772 0.576 -3.958 1.00 0.65 O ATOM 0 H SER A 36 -11.805 -0.831 -6.052 1.00 0.54 H new ATOM 0 HA SER A 36 -12.602 1.783 -6.849 1.00 0.57 H new ATOM 0 HB2 SER A 36 -13.546 2.527 -4.603 1.00 0.65 H new ATOM 0 HB3 SER A 36 -14.632 1.547 -5.568 1.00 0.65 H new ATOM 0 HG SER A 36 -14.512 0.810 -3.360 1.00 0.65 H new ATOM 531 N THR A 37 -10.779 0.500 -4.395 1.00 0.45 N ATOM 532 CA THR A 37 -9.482 0.673 -3.666 1.00 0.41 C ATOM 533 C THR A 37 -8.321 0.613 -4.672 1.00 0.37 C ATOM 534 O THR A 37 -8.319 -0.223 -5.556 1.00 0.41 O ATOM 535 CB THR A 37 -9.315 -0.441 -2.622 1.00 0.44 C ATOM 536 OG1 THR A 37 -9.531 -1.708 -3.233 1.00 0.49 O ATOM 537 CG2 THR A 37 -10.324 -0.241 -1.488 1.00 0.58 C ATOM 0 H THR A 37 -11.279 -0.364 -4.184 1.00 0.45 H new ATOM 0 HA THR A 37 -9.480 1.638 -3.160 1.00 0.41 H new ATOM 0 HB THR A 37 -8.304 -0.403 -2.217 1.00 0.44 H new ATOM 0 HG1 THR A 37 -9.214 -1.682 -4.160 1.00 0.49 H new ATOM 0 HG21 THR A 37 -10.203 -1.033 -0.749 1.00 0.58 H new ATOM 0 HG22 THR A 37 -10.153 0.726 -1.015 1.00 0.58 H new ATOM 0 HG23 THR A 37 -11.336 -0.273 -1.892 1.00 0.58 H new ATOM 545 N PRO A 38 -7.372 1.507 -4.510 1.00 0.38 N ATOM 546 CA PRO A 38 -6.192 1.589 -5.397 1.00 0.41 C ATOM 547 C PRO A 38 -5.162 0.499 -5.058 1.00 0.39 C ATOM 548 O PRO A 38 -5.173 -0.076 -3.979 1.00 0.40 O ATOM 549 CB PRO A 38 -5.625 2.982 -5.110 1.00 0.51 C ATOM 550 CG PRO A 38 -6.140 3.384 -3.709 1.00 0.53 C ATOM 551 CD PRO A 38 -7.383 2.519 -3.430 1.00 0.45 C ATOM 0 HA PRO A 38 -6.444 1.438 -6.447 1.00 0.41 H new ATOM 0 HB2 PRO A 38 -4.535 2.970 -5.134 1.00 0.51 H new ATOM 0 HB3 PRO A 38 -5.953 3.697 -5.864 1.00 0.51 H new ATOM 0 HG2 PRO A 38 -5.374 3.216 -2.952 1.00 0.53 H new ATOM 0 HG3 PRO A 38 -6.391 4.444 -3.678 1.00 0.53 H new ATOM 0 HD2 PRO A 38 -7.331 2.052 -2.446 1.00 0.45 H new ATOM 0 HD3 PRO A 38 -8.296 3.115 -3.452 1.00 0.45 H new ATOM 559 N PHE A 39 -4.262 0.225 -5.977 1.00 0.39 N ATOM 560 CA PHE A 39 -3.212 -0.811 -5.728 1.00 0.38 C ATOM 561 C PHE A 39 -2.284 -0.346 -4.595 1.00 0.36 C ATOM 562 O PHE A 39 -1.576 -1.142 -4.014 1.00 0.37 O ATOM 563 CB PHE A 39 -2.397 -1.048 -7.006 1.00 0.40 C ATOM 564 CG PHE A 39 -1.821 -2.448 -6.989 1.00 0.40 C ATOM 565 CD1 PHE A 39 -2.666 -3.555 -6.832 1.00 0.46 C ATOM 566 CD2 PHE A 39 -0.441 -2.639 -7.135 1.00 0.49 C ATOM 567 CE1 PHE A 39 -2.132 -4.849 -6.819 1.00 0.52 C ATOM 568 CE2 PHE A 39 0.093 -3.933 -7.122 1.00 0.56 C ATOM 569 CZ PHE A 39 -0.752 -5.038 -6.964 1.00 0.53 C ATOM 0 H PHE A 39 -4.212 0.677 -6.890 1.00 0.39 H new ATOM 0 HA PHE A 39 -3.693 -1.745 -5.437 1.00 0.38 H new ATOM 0 HB2 PHE A 39 -3.030 -0.915 -7.883 1.00 0.40 H new ATOM 0 HB3 PHE A 39 -1.594 -0.314 -7.079 1.00 0.40 H new ATOM 0 HD1 PHE A 39 -3.730 -3.410 -6.721 1.00 0.46 H new ATOM 0 HD2 PHE A 39 0.212 -1.787 -7.258 1.00 0.49 H new ATOM 0 HE1 PHE A 39 -2.784 -5.701 -6.697 1.00 0.52 H new ATOM 0 HE2 PHE A 39 1.157 -4.079 -7.234 1.00 0.56 H new ATOM 0 HZ PHE A 39 -0.340 -6.036 -6.954 1.00 0.53 H new ATOM 579 N THR A 40 -2.295 0.931 -4.263 1.00 0.38 N ATOM 580 CA THR A 40 -1.431 1.432 -3.147 1.00 0.39 C ATOM 581 C THR A 40 -1.859 0.736 -1.850 1.00 0.39 C ATOM 582 O THR A 40 -1.034 0.279 -1.081 1.00 0.44 O ATOM 583 CB THR A 40 -1.598 2.952 -2.986 1.00 0.43 C ATOM 584 OG1 THR A 40 -2.976 3.298 -3.071 1.00 0.53 O ATOM 585 CG2 THR A 40 -0.820 3.678 -4.083 1.00 0.63 C ATOM 0 H THR A 40 -2.866 1.643 -4.719 1.00 0.38 H new ATOM 0 HA THR A 40 -0.386 1.215 -3.370 1.00 0.39 H new ATOM 0 HB THR A 40 -1.211 3.251 -2.012 1.00 0.43 H new ATOM 0 HG1 THR A 40 -3.077 4.267 -2.966 1.00 0.53 H new ATOM 0 HG21 THR A 40 -0.942 4.755 -3.964 1.00 0.63 H new ATOM 0 HG22 THR A 40 0.237 3.422 -4.010 1.00 0.63 H new ATOM 0 HG23 THR A 40 -1.199 3.376 -5.059 1.00 0.63 H new ATOM 593 N ALA A 41 -3.151 0.647 -1.618 1.00 0.40 N ATOM 594 CA ALA A 41 -3.663 -0.025 -0.386 1.00 0.44 C ATOM 595 C ALA A 41 -3.519 -1.546 -0.534 1.00 0.40 C ATOM 596 O ALA A 41 -3.169 -2.232 0.408 1.00 0.44 O ATOM 597 CB ALA A 41 -5.138 0.331 -0.184 1.00 0.51 C ATOM 0 H ALA A 41 -3.874 1.015 -2.236 1.00 0.40 H new ATOM 0 HA ALA A 41 -3.087 0.312 0.476 1.00 0.44 H new ATOM 0 HB1 ALA A 41 -5.511 -0.160 0.715 1.00 0.51 H new ATOM 0 HB2 ALA A 41 -5.240 1.411 -0.077 1.00 0.51 H new ATOM 0 HB3 ALA A 41 -5.715 -0.004 -1.046 1.00 0.51 H new ATOM 603 N VAL A 42 -3.783 -2.074 -1.713 1.00 0.38 N ATOM 604 CA VAL A 42 -3.656 -3.553 -1.928 1.00 0.39 C ATOM 605 C VAL A 42 -2.196 -3.973 -1.697 1.00 0.36 C ATOM 606 O VAL A 42 -1.916 -4.882 -0.936 1.00 0.40 O ATOM 607 CB VAL A 42 -4.073 -3.905 -3.365 1.00 0.42 C ATOM 608 CG1 VAL A 42 -3.911 -5.410 -3.600 1.00 0.48 C ATOM 609 CG2 VAL A 42 -5.540 -3.515 -3.583 1.00 0.52 C ATOM 0 H VAL A 42 -4.080 -1.543 -2.532 1.00 0.38 H new ATOM 0 HA VAL A 42 -4.304 -4.081 -1.228 1.00 0.39 H new ATOM 0 HB VAL A 42 -3.439 -3.359 -4.064 1.00 0.42 H new ATOM 0 HG11 VAL A 42 -4.208 -5.653 -4.620 1.00 0.48 H new ATOM 0 HG12 VAL A 42 -2.869 -5.692 -3.449 1.00 0.48 H new ATOM 0 HG13 VAL A 42 -4.540 -5.958 -2.899 1.00 0.48 H new ATOM 0 HG21 VAL A 42 -5.835 -3.765 -4.602 1.00 0.52 H new ATOM 0 HG22 VAL A 42 -6.170 -4.059 -2.879 1.00 0.52 H new ATOM 0 HG23 VAL A 42 -5.659 -2.443 -3.423 1.00 0.52 H new ATOM 619 N LEU A 43 -1.270 -3.304 -2.348 1.00 0.36 N ATOM 620 CA LEU A 43 0.182 -3.629 -2.187 1.00 0.37 C ATOM 621 C LEU A 43 0.600 -3.443 -0.721 1.00 0.37 C ATOM 622 O LEU A 43 1.434 -4.171 -0.215 1.00 0.41 O ATOM 623 CB LEU A 43 1.010 -2.692 -3.075 1.00 0.40 C ATOM 624 CG LEU A 43 2.397 -3.298 -3.313 1.00 0.42 C ATOM 625 CD1 LEU A 43 2.801 -3.098 -4.777 1.00 0.52 C ATOM 626 CD2 LEU A 43 3.419 -2.609 -2.405 1.00 0.53 C ATOM 0 H LEU A 43 -1.464 -2.537 -2.992 1.00 0.36 H new ATOM 0 HA LEU A 43 0.355 -4.665 -2.479 1.00 0.37 H new ATOM 0 HB2 LEU A 43 0.503 -2.535 -4.027 1.00 0.40 H new ATOM 0 HB3 LEU A 43 1.106 -1.716 -2.600 1.00 0.40 H new ATOM 0 HG LEU A 43 2.369 -4.364 -3.087 1.00 0.42 H new ATOM 0 HD11 LEU A 43 3.788 -3.530 -4.944 1.00 0.52 H new ATOM 0 HD12 LEU A 43 2.075 -3.589 -5.425 1.00 0.52 H new ATOM 0 HD13 LEU A 43 2.828 -2.032 -5.005 1.00 0.52 H new ATOM 0 HD21 LEU A 43 4.406 -3.040 -2.575 1.00 0.53 H new ATOM 0 HD22 LEU A 43 3.446 -1.543 -2.630 1.00 0.53 H new ATOM 0 HD23 LEU A 43 3.135 -2.752 -1.363 1.00 0.53 H new ATOM 638 N LYS A 44 0.025 -2.475 -0.041 1.00 0.39 N ATOM 639 CA LYS A 44 0.383 -2.235 1.393 1.00 0.42 C ATOM 640 C LYS A 44 -0.105 -3.408 2.252 1.00 0.39 C ATOM 641 O LYS A 44 0.611 -3.893 3.106 1.00 0.41 O ATOM 642 CB LYS A 44 -0.272 -0.936 1.876 1.00 0.49 C ATOM 643 CG LYS A 44 0.738 -0.128 2.694 1.00 0.93 C ATOM 644 CD LYS A 44 0.040 1.074 3.340 1.00 1.67 C ATOM 645 CE LYS A 44 -0.193 0.790 4.826 1.00 2.46 C ATOM 646 NZ LYS A 44 -0.430 2.073 5.549 1.00 3.49 N ATOM 0 H LYS A 44 -0.678 -1.841 -0.420 1.00 0.39 H new ATOM 0 HA LYS A 44 1.466 -2.150 1.484 1.00 0.42 H new ATOM 0 HB2 LYS A 44 -0.616 -0.351 1.023 1.00 0.49 H new ATOM 0 HB3 LYS A 44 -1.149 -1.162 2.482 1.00 0.49 H new ATOM 0 HG2 LYS A 44 1.184 -0.758 3.464 1.00 0.93 H new ATOM 0 HG3 LYS A 44 1.550 0.213 2.052 1.00 0.93 H new ATOM 0 HD2 LYS A 44 0.650 1.970 3.221 1.00 1.67 H new ATOM 0 HD3 LYS A 44 -0.910 1.267 2.842 1.00 1.67 H new ATOM 0 HE2 LYS A 44 -1.049 0.127 4.950 1.00 2.46 H new ATOM 0 HE3 LYS A 44 0.671 0.277 5.248 1.00 2.46 H new ATOM 0 HZ1 LYS A 44 -0.588 1.879 6.558 1.00 3.49 H new ATOM 0 HZ2 LYS A 44 0.400 2.691 5.441 1.00 3.49 H new ATOM 0 HZ3 LYS A 44 -1.267 2.546 5.152 1.00 3.49 H new ATOM 660 N PHE A 45 -1.318 -3.863 2.028 1.00 0.41 N ATOM 661 CA PHE A 45 -1.867 -5.006 2.825 1.00 0.42 C ATOM 662 C PHE A 45 -1.006 -6.259 2.607 1.00 0.39 C ATOM 663 O PHE A 45 -0.699 -6.975 3.543 1.00 0.43 O ATOM 664 CB PHE A 45 -3.307 -5.284 2.385 1.00 0.50 C ATOM 665 CG PHE A 45 -4.260 -4.764 3.435 1.00 0.80 C ATOM 666 CD1 PHE A 45 -4.560 -5.546 4.557 1.00 1.34 C ATOM 667 CD2 PHE A 45 -4.838 -3.495 3.292 1.00 1.25 C ATOM 668 CE1 PHE A 45 -5.438 -5.063 5.533 1.00 1.82 C ATOM 669 CE2 PHE A 45 -5.716 -3.012 4.270 1.00 1.72 C ATOM 670 CZ PHE A 45 -6.014 -3.796 5.390 1.00 1.88 C ATOM 0 H PHE A 45 -1.953 -3.488 1.323 1.00 0.41 H new ATOM 0 HA PHE A 45 -1.852 -4.748 3.884 1.00 0.42 H new ATOM 0 HB2 PHE A 45 -3.506 -4.803 1.427 1.00 0.50 H new ATOM 0 HB3 PHE A 45 -3.455 -6.354 2.241 1.00 0.50 H new ATOM 0 HD1 PHE A 45 -4.113 -6.523 4.669 1.00 1.34 H new ATOM 0 HD2 PHE A 45 -4.606 -2.890 2.428 1.00 1.25 H new ATOM 0 HE1 PHE A 45 -5.671 -5.668 6.397 1.00 1.82 H new ATOM 0 HE2 PHE A 45 -6.163 -2.035 4.160 1.00 1.72 H new ATOM 0 HZ PHE A 45 -6.690 -3.423 6.145 1.00 1.88 H new ATOM 680 N ALA A 46 -0.610 -6.521 1.381 1.00 0.40 N ATOM 681 CA ALA A 46 0.240 -7.720 1.097 1.00 0.42 C ATOM 682 C ALA A 46 1.633 -7.513 1.706 1.00 0.38 C ATOM 683 O ALA A 46 2.178 -8.403 2.334 1.00 0.42 O ATOM 684 CB ALA A 46 0.368 -7.914 -0.419 1.00 0.49 C ATOM 0 H ALA A 46 -0.840 -5.954 0.565 1.00 0.40 H new ATOM 0 HA ALA A 46 -0.223 -8.604 1.536 1.00 0.42 H new ATOM 0 HB1 ALA A 46 0.987 -8.787 -0.623 1.00 0.49 H new ATOM 0 HB2 ALA A 46 -0.621 -8.062 -0.852 1.00 0.49 H new ATOM 0 HB3 ALA A 46 0.829 -7.031 -0.861 1.00 0.49 H new ATOM 690 N ALA A 47 2.204 -6.341 1.528 1.00 0.36 N ATOM 691 CA ALA A 47 3.560 -6.054 2.094 1.00 0.36 C ATOM 692 C ALA A 47 3.514 -6.122 3.628 1.00 0.36 C ATOM 693 O ALA A 47 4.468 -6.536 4.260 1.00 0.41 O ATOM 694 CB ALA A 47 4.011 -4.654 1.662 1.00 0.39 C ATOM 0 H ALA A 47 1.784 -5.568 1.011 1.00 0.36 H new ATOM 0 HA ALA A 47 4.265 -6.798 1.722 1.00 0.36 H new ATOM 0 HB1 ALA A 47 4.998 -4.446 2.075 1.00 0.39 H new ATOM 0 HB2 ALA A 47 4.055 -4.605 0.574 1.00 0.39 H new ATOM 0 HB3 ALA A 47 3.301 -3.913 2.030 1.00 0.39 H new ATOM 700 N GLU A 48 2.412 -5.720 4.226 1.00 0.39 N ATOM 701 CA GLU A 48 2.290 -5.760 5.719 1.00 0.43 C ATOM 702 C GLU A 48 2.458 -7.203 6.213 1.00 0.39 C ATOM 703 O GLU A 48 3.222 -7.467 7.124 1.00 0.45 O ATOM 704 CB GLU A 48 0.911 -5.235 6.135 1.00 0.52 C ATOM 705 CG GLU A 48 1.078 -4.126 7.179 1.00 0.87 C ATOM 706 CD GLU A 48 -0.261 -3.411 7.393 1.00 1.85 C ATOM 707 OE1 GLU A 48 -0.522 -2.454 6.680 1.00 2.43 O ATOM 708 OE2 GLU A 48 -1.004 -3.832 8.267 1.00 2.49 O ATOM 0 H GLU A 48 1.589 -5.365 3.739 1.00 0.39 H new ATOM 0 HA GLU A 48 3.066 -5.134 6.160 1.00 0.43 H new ATOM 0 HB2 GLU A 48 0.379 -4.852 5.264 1.00 0.52 H new ATOM 0 HB3 GLU A 48 0.310 -6.047 6.545 1.00 0.52 H new ATOM 0 HG2 GLU A 48 1.430 -4.549 8.120 1.00 0.87 H new ATOM 0 HG3 GLU A 48 1.833 -3.413 6.848 1.00 0.87 H new ATOM 715 N GLU A 49 1.755 -8.135 5.610 1.00 0.40 N ATOM 716 CA GLU A 49 1.867 -9.569 6.024 1.00 0.44 C ATOM 717 C GLU A 49 3.264 -10.095 5.675 1.00 0.42 C ATOM 718 O GLU A 49 3.866 -10.830 6.437 1.00 0.49 O ATOM 719 CB GLU A 49 0.810 -10.395 5.278 1.00 0.55 C ATOM 720 CG GLU A 49 0.883 -11.866 5.711 1.00 0.70 C ATOM 721 CD GLU A 49 1.588 -12.697 4.629 1.00 0.85 C ATOM 722 OE1 GLU A 49 0.940 -13.041 3.654 1.00 1.32 O ATOM 723 OE2 GLU A 49 2.763 -12.980 4.796 1.00 0.94 O ATOM 0 H GLU A 49 1.105 -7.960 4.844 1.00 0.40 H new ATOM 0 HA GLU A 49 1.707 -9.652 7.099 1.00 0.44 H new ATOM 0 HB2 GLU A 49 -0.184 -9.997 5.483 1.00 0.55 H new ATOM 0 HB3 GLU A 49 0.969 -10.317 4.203 1.00 0.55 H new ATOM 0 HG2 GLU A 49 1.422 -11.950 6.655 1.00 0.70 H new ATOM 0 HG3 GLU A 49 -0.121 -12.254 5.882 1.00 0.70 H new ATOM 730 N PHE A 50 3.773 -9.723 4.524 1.00 0.40 N ATOM 731 CA PHE A 50 5.127 -10.195 4.094 1.00 0.44 C ATOM 732 C PHE A 50 6.238 -9.515 4.914 1.00 0.43 C ATOM 733 O PHE A 50 7.395 -9.884 4.809 1.00 0.51 O ATOM 734 CB PHE A 50 5.315 -9.876 2.608 1.00 0.46 C ATOM 735 CG PHE A 50 4.588 -10.911 1.775 1.00 0.44 C ATOM 736 CD1 PHE A 50 4.825 -12.277 1.986 1.00 0.50 C ATOM 737 CD2 PHE A 50 3.670 -10.506 0.797 1.00 0.46 C ATOM 738 CE1 PHE A 50 4.146 -13.232 1.221 1.00 0.53 C ATOM 739 CE2 PHE A 50 2.991 -11.463 0.034 1.00 0.49 C ATOM 740 CZ PHE A 50 3.230 -12.825 0.246 1.00 0.51 C ATOM 0 H PHE A 50 3.304 -9.108 3.859 1.00 0.40 H new ATOM 0 HA PHE A 50 5.194 -11.270 4.261 1.00 0.44 H new ATOM 0 HB2 PHE A 50 4.931 -8.880 2.387 1.00 0.46 H new ATOM 0 HB3 PHE A 50 6.376 -9.871 2.357 1.00 0.46 H new ATOM 0 HD1 PHE A 50 5.532 -12.592 2.739 1.00 0.50 H new ATOM 0 HD2 PHE A 50 3.486 -9.455 0.632 1.00 0.46 H new ATOM 0 HE1 PHE A 50 4.330 -14.284 1.384 1.00 0.53 H new ATOM 0 HE2 PHE A 50 2.282 -11.150 -0.719 1.00 0.49 H new ATOM 0 HZ PHE A 50 2.707 -13.563 -0.344 1.00 0.51 H new ATOM 750 N LYS A 51 5.902 -8.529 5.724 1.00 0.40 N ATOM 751 CA LYS A 51 6.933 -7.823 6.553 1.00 0.45 C ATOM 752 C LYS A 51 7.889 -7.039 5.636 1.00 0.45 C ATOM 753 O LYS A 51 9.091 -7.015 5.843 1.00 0.55 O ATOM 754 CB LYS A 51 7.715 -8.846 7.396 1.00 0.55 C ATOM 755 CG LYS A 51 7.356 -8.682 8.877 1.00 1.04 C ATOM 756 CD LYS A 51 7.002 -10.050 9.479 1.00 1.26 C ATOM 757 CE LYS A 51 5.599 -9.996 10.098 1.00 2.06 C ATOM 758 NZ LYS A 51 4.694 -10.956 9.397 1.00 2.68 N ATOM 0 H LYS A 51 4.950 -8.184 5.844 1.00 0.40 H new ATOM 0 HA LYS A 51 6.439 -7.122 7.226 1.00 0.45 H new ATOM 0 HB2 LYS A 51 7.481 -9.858 7.066 1.00 0.55 H new ATOM 0 HB3 LYS A 51 8.786 -8.704 7.254 1.00 0.55 H new ATOM 0 HG2 LYS A 51 8.194 -8.242 9.418 1.00 1.04 H new ATOM 0 HG3 LYS A 51 6.514 -7.998 8.983 1.00 1.04 H new ATOM 0 HD2 LYS A 51 7.040 -10.818 8.707 1.00 1.26 H new ATOM 0 HD3 LYS A 51 7.734 -10.324 10.238 1.00 1.26 H new ATOM 0 HE2 LYS A 51 5.651 -10.241 11.159 1.00 2.06 H new ATOM 0 HE3 LYS A 51 5.198 -8.985 10.023 1.00 2.06 H new ATOM 0 HZ1 LYS A 51 3.760 -10.950 9.855 1.00 2.68 H new ATOM 0 HZ2 LYS A 51 4.593 -10.674 8.401 1.00 2.68 H new ATOM 0 HZ3 LYS A 51 5.098 -11.913 9.446 1.00 2.68 H new ATOM 772 N VAL A 52 7.354 -6.392 4.626 1.00 0.41 N ATOM 773 CA VAL A 52 8.206 -5.596 3.685 1.00 0.43 C ATOM 774 C VAL A 52 7.579 -4.207 3.470 1.00 0.40 C ATOM 775 O VAL A 52 6.405 -4.010 3.729 1.00 0.39 O ATOM 776 CB VAL A 52 8.315 -6.322 2.334 1.00 0.44 C ATOM 777 CG1 VAL A 52 9.076 -7.639 2.511 1.00 0.59 C ATOM 778 CG2 VAL A 52 6.916 -6.618 1.780 1.00 0.47 C ATOM 0 H VAL A 52 6.357 -6.382 4.412 1.00 0.41 H new ATOM 0 HA VAL A 52 9.202 -5.485 4.114 1.00 0.43 H new ATOM 0 HB VAL A 52 8.852 -5.681 1.635 1.00 0.44 H new ATOM 0 HG11 VAL A 52 9.150 -8.149 1.550 1.00 0.59 H new ATOM 0 HG12 VAL A 52 10.077 -7.433 2.890 1.00 0.59 H new ATOM 0 HG13 VAL A 52 8.544 -8.274 3.219 1.00 0.59 H new ATOM 0 HG21 VAL A 52 7.005 -7.132 0.823 1.00 0.47 H new ATOM 0 HG22 VAL A 52 6.373 -7.250 2.482 1.00 0.47 H new ATOM 0 HG23 VAL A 52 6.375 -5.682 1.640 1.00 0.47 H new ATOM 788 N PRO A 53 8.387 -3.283 2.992 1.00 0.45 N ATOM 789 CA PRO A 53 7.944 -1.900 2.718 1.00 0.47 C ATOM 790 C PRO A 53 7.143 -1.844 1.408 1.00 0.40 C ATOM 791 O PRO A 53 7.556 -2.376 0.396 1.00 0.45 O ATOM 792 CB PRO A 53 9.257 -1.119 2.596 1.00 0.60 C ATOM 793 CG PRO A 53 10.350 -2.156 2.246 1.00 0.64 C ATOM 794 CD PRO A 53 9.813 -3.530 2.685 1.00 0.56 C ATOM 0 HA PRO A 53 7.288 -1.497 3.490 1.00 0.47 H new ATOM 0 HB2 PRO A 53 9.184 -0.355 1.822 1.00 0.60 H new ATOM 0 HB3 PRO A 53 9.492 -0.606 3.529 1.00 0.60 H new ATOM 0 HG2 PRO A 53 10.563 -2.147 1.177 1.00 0.64 H new ATOM 0 HG3 PRO A 53 11.283 -1.923 2.759 1.00 0.64 H new ATOM 0 HD2 PRO A 53 9.927 -4.273 1.895 1.00 0.56 H new ATOM 0 HD3 PRO A 53 10.348 -3.907 3.557 1.00 0.56 H new ATOM 802 N ALA A 54 5.997 -1.205 1.429 1.00 0.43 N ATOM 803 CA ALA A 54 5.152 -1.109 0.196 1.00 0.45 C ATOM 804 C ALA A 54 5.741 -0.072 -0.772 1.00 0.44 C ATOM 805 O ALA A 54 5.682 -0.238 -1.977 1.00 0.49 O ATOM 806 CB ALA A 54 3.729 -0.692 0.582 1.00 0.60 C ATOM 0 H ALA A 54 5.609 -0.744 2.252 1.00 0.43 H new ATOM 0 HA ALA A 54 5.131 -2.082 -0.294 1.00 0.45 H new ATOM 0 HB1 ALA A 54 3.114 -0.622 -0.315 1.00 0.60 H new ATOM 0 HB2 ALA A 54 3.303 -1.434 1.257 1.00 0.60 H new ATOM 0 HB3 ALA A 54 3.756 0.277 1.079 1.00 0.60 H new ATOM 812 N ALA A 55 6.301 0.998 -0.251 1.00 0.49 N ATOM 813 CA ALA A 55 6.891 2.058 -1.131 1.00 0.55 C ATOM 814 C ALA A 55 8.192 1.556 -1.776 1.00 0.52 C ATOM 815 O ALA A 55 8.494 1.890 -2.907 1.00 0.61 O ATOM 816 CB ALA A 55 7.190 3.304 -0.293 1.00 0.68 C ATOM 0 H ALA A 55 6.374 1.182 0.750 1.00 0.49 H new ATOM 0 HA ALA A 55 6.177 2.300 -1.918 1.00 0.55 H new ATOM 0 HB1 ALA A 55 7.619 4.077 -0.931 1.00 0.68 H new ATOM 0 HB2 ALA A 55 6.266 3.673 0.153 1.00 0.68 H new ATOM 0 HB3 ALA A 55 7.898 3.050 0.496 1.00 0.68 H new ATOM 822 N THR A 56 8.966 0.772 -1.061 1.00 0.49 N ATOM 823 CA THR A 56 10.257 0.259 -1.624 1.00 0.53 C ATOM 824 C THR A 56 10.019 -1.043 -2.403 1.00 0.47 C ATOM 825 O THR A 56 10.562 -1.234 -3.476 1.00 0.62 O ATOM 826 CB THR A 56 11.246 -0.006 -0.481 1.00 0.61 C ATOM 827 OG1 THR A 56 11.255 1.102 0.412 1.00 0.75 O ATOM 828 CG2 THR A 56 12.650 -0.212 -1.050 1.00 0.80 C ATOM 0 H THR A 56 8.759 0.465 -0.111 1.00 0.49 H new ATOM 0 HA THR A 56 10.668 1.008 -2.301 1.00 0.53 H new ATOM 0 HB THR A 56 10.938 -0.903 0.057 1.00 0.61 H new ATOM 0 HG1 THR A 56 11.886 0.929 1.142 1.00 0.75 H new ATOM 0 HG21 THR A 56 13.349 -0.400 -0.235 1.00 0.80 H new ATOM 0 HG22 THR A 56 12.646 -1.065 -1.729 1.00 0.80 H new ATOM 0 HG23 THR A 56 12.957 0.682 -1.593 1.00 0.80 H new ATOM 836 N SER A 57 9.221 -1.940 -1.867 1.00 0.37 N ATOM 837 CA SER A 57 8.956 -3.236 -2.569 1.00 0.38 C ATOM 838 C SER A 57 7.928 -3.037 -3.690 1.00 0.34 C ATOM 839 O SER A 57 7.129 -2.117 -3.667 1.00 0.45 O ATOM 840 CB SER A 57 8.421 -4.264 -1.568 1.00 0.42 C ATOM 841 OG SER A 57 8.585 -5.573 -2.100 1.00 0.73 O ATOM 0 H SER A 57 8.743 -1.829 -0.973 1.00 0.37 H new ATOM 0 HA SER A 57 9.889 -3.595 -3.003 1.00 0.38 H new ATOM 0 HB2 SER A 57 8.952 -4.176 -0.620 1.00 0.42 H new ATOM 0 HB3 SER A 57 7.368 -4.073 -1.362 1.00 0.42 H new ATOM 0 HG SER A 57 8.977 -5.515 -2.996 1.00 0.73 H new ATOM 847 N ALA A 58 7.948 -3.912 -4.667 1.00 0.32 N ATOM 848 CA ALA A 58 6.984 -3.819 -5.808 1.00 0.30 C ATOM 849 C ALA A 58 6.303 -5.180 -6.011 1.00 0.30 C ATOM 850 O ALA A 58 6.689 -6.172 -5.417 1.00 0.34 O ATOM 851 CB ALA A 58 7.742 -3.431 -7.082 1.00 0.35 C ATOM 0 H ALA A 58 8.599 -4.695 -4.722 1.00 0.32 H new ATOM 0 HA ALA A 58 6.229 -3.064 -5.589 1.00 0.30 H new ATOM 0 HB1 ALA A 58 7.042 -3.362 -7.915 1.00 0.35 H new ATOM 0 HB2 ALA A 58 8.229 -2.467 -6.936 1.00 0.35 H new ATOM 0 HB3 ALA A 58 8.495 -4.188 -7.302 1.00 0.35 H new ATOM 857 N ILE A 59 5.293 -5.236 -6.848 1.00 0.32 N ATOM 858 CA ILE A 59 4.590 -6.532 -7.093 1.00 0.35 C ATOM 859 C ILE A 59 4.634 -6.861 -8.590 1.00 0.33 C ATOM 860 O ILE A 59 4.135 -6.115 -9.408 1.00 0.35 O ATOM 861 CB ILE A 59 3.130 -6.424 -6.616 1.00 0.40 C ATOM 862 CG1 ILE A 59 3.067 -6.701 -5.108 1.00 0.48 C ATOM 863 CG2 ILE A 59 2.256 -7.445 -7.357 1.00 0.45 C ATOM 864 CD1 ILE A 59 1.638 -6.483 -4.599 1.00 0.54 C ATOM 0 H ILE A 59 4.927 -4.440 -7.370 1.00 0.32 H new ATOM 0 HA ILE A 59 5.085 -7.329 -6.539 1.00 0.35 H new ATOM 0 HB ILE A 59 2.760 -5.420 -6.824 1.00 0.40 H new ATOM 0 HG12 ILE A 59 3.384 -7.724 -4.903 1.00 0.48 H new ATOM 0 HG13 ILE A 59 3.756 -6.042 -4.579 1.00 0.48 H new ATOM 0 HG21 ILE A 59 1.225 -7.360 -7.012 1.00 0.45 H new ATOM 0 HG22 ILE A 59 2.297 -7.250 -8.429 1.00 0.45 H new ATOM 0 HG23 ILE A 59 2.624 -8.452 -7.157 1.00 0.45 H new ATOM 0 HD11 ILE A 59 1.599 -6.681 -3.528 1.00 0.54 H new ATOM 0 HD12 ILE A 59 1.337 -5.453 -4.789 1.00 0.54 H new ATOM 0 HD13 ILE A 59 0.960 -7.160 -5.118 1.00 0.54 H new ATOM 876 N ILE A 60 5.222 -7.979 -8.950 1.00 0.35 N ATOM 877 CA ILE A 60 5.290 -8.362 -10.396 1.00 0.35 C ATOM 878 C ILE A 60 4.175 -9.368 -10.717 1.00 0.37 C ATOM 879 O ILE A 60 3.458 -9.812 -9.841 1.00 0.44 O ATOM 880 CB ILE A 60 6.657 -8.988 -10.719 1.00 0.40 C ATOM 881 CG1 ILE A 60 6.918 -10.189 -9.799 1.00 0.47 C ATOM 882 CG2 ILE A 60 7.762 -7.945 -10.525 1.00 0.44 C ATOM 883 CD1 ILE A 60 7.531 -11.332 -10.612 1.00 0.62 C ATOM 0 H ILE A 60 5.656 -8.640 -8.306 1.00 0.35 H new ATOM 0 HA ILE A 60 5.160 -7.466 -11.003 1.00 0.35 H new ATOM 0 HB ILE A 60 6.654 -9.326 -11.755 1.00 0.40 H new ATOM 0 HG12 ILE A 60 7.591 -9.902 -8.991 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.986 -10.516 -9.337 1.00 0.47 H new ATOM 0 HG21 ILE A 60 8.729 -8.392 -10.755 1.00 0.44 H new ATOM 0 HG22 ILE A 60 7.586 -7.100 -11.191 1.00 0.44 H new ATOM 0 HG23 ILE A 60 7.759 -7.599 -9.491 1.00 0.44 H new ATOM 0 HD11 ILE A 60 7.716 -12.185 -9.959 1.00 0.62 H new ATOM 0 HD12 ILE A 60 6.842 -11.625 -11.404 1.00 0.62 H new ATOM 0 HD13 ILE A 60 8.472 -11.001 -11.053 1.00 0.62 H new ATOM 895 N THR A 61 4.025 -9.725 -11.970 1.00 0.38 N ATOM 896 CA THR A 61 2.958 -10.703 -12.358 1.00 0.41 C ATOM 897 C THR A 61 3.580 -12.089 -12.580 1.00 0.47 C ATOM 898 O THR A 61 4.790 -12.246 -12.586 1.00 0.57 O ATOM 899 CB THR A 61 2.270 -10.239 -13.651 1.00 0.46 C ATOM 900 OG1 THR A 61 3.233 -10.117 -14.692 1.00 0.54 O ATOM 901 CG2 THR A 61 1.595 -8.887 -13.419 1.00 0.51 C ATOM 0 H THR A 61 4.596 -9.381 -12.742 1.00 0.38 H new ATOM 0 HA THR A 61 2.221 -10.760 -11.557 1.00 0.41 H new ATOM 0 HB THR A 61 1.519 -10.974 -13.939 1.00 0.46 H new ATOM 0 HG1 THR A 61 2.790 -9.823 -15.515 1.00 0.54 H new ATOM 0 HG21 THR A 61 1.108 -8.561 -14.338 1.00 0.51 H new ATOM 0 HG22 THR A 61 0.851 -8.983 -12.628 1.00 0.51 H new ATOM 0 HG23 THR A 61 2.344 -8.152 -13.125 1.00 0.51 H new ATOM 909 N ASN A 62 2.756 -13.092 -12.774 1.00 0.50 N ATOM 910 CA ASN A 62 3.279 -14.475 -13.010 1.00 0.56 C ATOM 911 C ASN A 62 4.028 -14.525 -14.352 1.00 0.63 C ATOM 912 O ASN A 62 4.900 -15.354 -14.548 1.00 0.74 O ATOM 913 CB ASN A 62 2.111 -15.466 -13.038 1.00 0.62 C ATOM 914 CG ASN A 62 1.829 -15.965 -11.618 1.00 0.72 C ATOM 915 OD1 ASN A 62 1.371 -15.217 -10.777 1.00 0.83 O ATOM 916 ND2 ASN A 62 2.086 -17.209 -11.312 1.00 1.00 N ATOM 0 H ASN A 62 1.739 -13.011 -12.779 1.00 0.50 H new ATOM 0 HA ASN A 62 3.964 -14.743 -12.206 1.00 0.56 H new ATOM 0 HB2 ASN A 62 1.223 -14.986 -13.449 1.00 0.62 H new ATOM 0 HB3 ASN A 62 2.349 -16.307 -13.690 1.00 0.62 H new ATOM 0 HD21 ASN A 62 1.902 -17.551 -10.369 1.00 1.00 H new ATOM 0 HD22 ASN A 62 2.470 -17.839 -12.016 1.00 1.00 H new ATOM 923 N ASP A 63 3.699 -13.641 -15.271 1.00 0.64 N ATOM 924 CA ASP A 63 4.390 -13.626 -16.596 1.00 0.79 C ATOM 925 C ASP A 63 5.746 -12.923 -16.456 1.00 0.79 C ATOM 926 O ASP A 63 6.777 -13.484 -16.778 1.00 1.04 O ATOM 927 CB ASP A 63 3.528 -12.870 -17.615 1.00 0.88 C ATOM 928 CG ASP A 63 2.715 -13.867 -18.447 1.00 1.73 C ATOM 929 OD1 ASP A 63 1.621 -14.207 -18.024 1.00 2.30 O ATOM 930 OD2 ASP A 63 3.199 -14.272 -19.492 1.00 2.36 O ATOM 0 H ASP A 63 2.978 -12.929 -15.155 1.00 0.64 H new ATOM 0 HA ASP A 63 4.543 -14.650 -16.937 1.00 0.79 H new ATOM 0 HB2 ASP A 63 2.859 -12.181 -17.099 1.00 0.88 H new ATOM 0 HB3 ASP A 63 4.162 -12.270 -18.267 1.00 0.88 H new ATOM 935 N GLY A 64 5.745 -11.699 -15.976 1.00 0.63 N ATOM 936 CA GLY A 64 7.028 -10.947 -15.808 1.00 0.65 C ATOM 937 C GLY A 64 6.778 -9.446 -15.985 1.00 0.61 C ATOM 938 O GLY A 64 7.442 -8.789 -16.767 1.00 0.74 O ATOM 0 H GLY A 64 4.908 -11.190 -15.693 1.00 0.63 H new ATOM 0 HA2 GLY A 64 7.447 -11.141 -14.821 1.00 0.65 H new ATOM 0 HA3 GLY A 64 7.760 -11.291 -16.538 1.00 0.65 H new ATOM 942 N VAL A 65 5.825 -8.902 -15.261 1.00 0.51 N ATOM 943 CA VAL A 65 5.518 -7.442 -15.372 1.00 0.50 C ATOM 944 C VAL A 65 5.611 -6.807 -13.980 1.00 0.43 C ATOM 945 O VAL A 65 4.891 -7.182 -13.073 1.00 0.44 O ATOM 946 CB VAL A 65 4.100 -7.256 -15.935 1.00 0.53 C ATOM 947 CG1 VAL A 65 3.796 -5.763 -16.086 1.00 0.58 C ATOM 948 CG2 VAL A 65 3.998 -7.933 -17.306 1.00 0.65 C ATOM 0 H VAL A 65 5.245 -9.412 -14.595 1.00 0.51 H new ATOM 0 HA VAL A 65 6.232 -6.963 -16.042 1.00 0.50 H new ATOM 0 HB VAL A 65 3.382 -7.706 -15.250 1.00 0.53 H new ATOM 0 HG11 VAL A 65 2.790 -5.635 -16.485 1.00 0.58 H new ATOM 0 HG12 VAL A 65 3.864 -5.277 -15.113 1.00 0.58 H new ATOM 0 HG13 VAL A 65 4.517 -5.312 -16.768 1.00 0.58 H new ATOM 0 HG21 VAL A 65 2.992 -7.800 -17.703 1.00 0.65 H new ATOM 0 HG22 VAL A 65 4.720 -7.484 -17.988 1.00 0.65 H new ATOM 0 HG23 VAL A 65 4.210 -8.997 -17.203 1.00 0.65 H new ATOM 958 N GLY A 66 6.498 -5.854 -13.807 1.00 0.45 N ATOM 959 CA GLY A 66 6.659 -5.188 -12.478 1.00 0.40 C ATOM 960 C GLY A 66 5.490 -4.233 -12.226 1.00 0.38 C ATOM 961 O GLY A 66 5.577 -3.048 -12.492 1.00 0.45 O ATOM 0 H GLY A 66 7.121 -5.508 -14.537 1.00 0.45 H new ATOM 0 HA2 GLY A 66 6.703 -5.939 -11.689 1.00 0.40 H new ATOM 0 HA3 GLY A 66 7.600 -4.639 -12.449 1.00 0.40 H new ATOM 965 N VAL A 67 4.403 -4.749 -11.707 1.00 0.34 N ATOM 966 CA VAL A 67 3.208 -3.894 -11.419 1.00 0.37 C ATOM 967 C VAL A 67 3.512 -2.968 -10.233 1.00 0.35 C ATOM 968 O VAL A 67 4.035 -3.392 -9.213 1.00 0.39 O ATOM 969 CB VAL A 67 1.999 -4.781 -11.080 1.00 0.42 C ATOM 970 CG1 VAL A 67 0.736 -3.920 -10.993 1.00 0.53 C ATOM 971 CG2 VAL A 67 1.814 -5.840 -12.171 1.00 0.48 C ATOM 0 H VAL A 67 4.291 -5.734 -11.468 1.00 0.34 H new ATOM 0 HA VAL A 67 2.977 -3.295 -12.300 1.00 0.37 H new ATOM 0 HB VAL A 67 2.173 -5.271 -10.122 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -0.119 -4.552 -10.753 1.00 0.53 H new ATOM 0 HG12 VAL A 67 0.862 -3.168 -10.214 1.00 0.53 H new ATOM 0 HG13 VAL A 67 0.565 -3.427 -11.950 1.00 0.53 H new ATOM 0 HG21 VAL A 67 0.956 -6.467 -11.928 1.00 0.48 H new ATOM 0 HG22 VAL A 67 1.645 -5.349 -13.129 1.00 0.48 H new ATOM 0 HG23 VAL A 67 2.709 -6.458 -12.233 1.00 0.48 H new ATOM 981 N ASN A 68 3.181 -1.707 -10.367 1.00 0.39 N ATOM 982 CA ASN A 68 3.436 -0.729 -9.264 1.00 0.41 C ATOM 983 C ASN A 68 2.101 -0.312 -8.624 1.00 0.42 C ATOM 984 O ASN A 68 1.049 -0.505 -9.208 1.00 0.45 O ATOM 985 CB ASN A 68 4.141 0.505 -9.839 1.00 0.48 C ATOM 986 CG ASN A 68 5.652 0.261 -9.879 1.00 0.61 C ATOM 987 OD1 ASN A 68 6.135 -0.504 -10.692 1.00 0.87 O ATOM 988 ND2 ASN A 68 6.427 0.883 -9.031 1.00 0.81 N ATOM 0 H ASN A 68 2.742 -1.311 -11.198 1.00 0.39 H new ATOM 0 HA ASN A 68 4.067 -1.190 -8.504 1.00 0.41 H new ATOM 0 HB2 ASN A 68 3.770 0.714 -10.842 1.00 0.48 H new ATOM 0 HB3 ASN A 68 3.920 1.380 -9.228 1.00 0.48 H new ATOM 0 HD21 ASN A 68 7.435 0.727 -9.052 1.00 0.81 H new ATOM 0 HD22 ASN A 68 6.024 1.525 -8.348 1.00 0.81 H new ATOM 995 N PRO A 69 2.188 0.249 -7.437 1.00 0.43 N ATOM 996 CA PRO A 69 1.008 0.710 -6.678 1.00 0.46 C ATOM 997 C PRO A 69 0.504 2.050 -7.241 1.00 0.51 C ATOM 998 O PRO A 69 0.544 3.073 -6.579 1.00 0.56 O ATOM 999 CB PRO A 69 1.539 0.857 -5.247 1.00 0.50 C ATOM 1000 CG PRO A 69 3.072 1.029 -5.364 1.00 0.49 C ATOM 1001 CD PRO A 69 3.473 0.475 -6.743 1.00 0.45 C ATOM 0 HA PRO A 69 0.158 0.030 -6.733 1.00 0.46 H new ATOM 0 HB2 PRO A 69 1.089 1.718 -4.752 1.00 0.50 H new ATOM 0 HB3 PRO A 69 1.291 -0.020 -4.649 1.00 0.50 H new ATOM 0 HG2 PRO A 69 3.352 2.078 -5.272 1.00 0.49 H new ATOM 0 HG3 PRO A 69 3.584 0.491 -4.566 1.00 0.49 H new ATOM 0 HD2 PRO A 69 4.100 1.181 -7.288 1.00 0.45 H new ATOM 0 HD3 PRO A 69 4.042 -0.450 -6.649 1.00 0.45 H new ATOM 1009 N ALA A 70 0.041 2.044 -8.468 1.00 0.56 N ATOM 1010 CA ALA A 70 -0.464 3.304 -9.103 1.00 0.65 C ATOM 1011 C ALA A 70 -1.854 3.076 -9.725 1.00 0.66 C ATOM 1012 O ALA A 70 -2.674 3.976 -9.756 1.00 0.98 O ATOM 1013 CB ALA A 70 0.515 3.747 -10.194 1.00 0.75 C ATOM 0 H ALA A 70 -0.009 1.216 -9.061 1.00 0.56 H new ATOM 0 HA ALA A 70 -0.545 4.076 -8.338 1.00 0.65 H new ATOM 0 HB1 ALA A 70 0.151 4.663 -10.659 1.00 0.75 H new ATOM 0 HB2 ALA A 70 1.495 3.928 -9.752 1.00 0.75 H new ATOM 0 HB3 ALA A 70 0.597 2.965 -10.949 1.00 0.75 H new ATOM 1019 N GLN A 71 -2.121 1.888 -10.227 1.00 0.61 N ATOM 1020 CA GLN A 71 -3.453 1.604 -10.855 1.00 0.60 C ATOM 1021 C GLN A 71 -4.467 1.173 -9.781 1.00 0.54 C ATOM 1022 O GLN A 71 -4.086 0.773 -8.698 1.00 0.54 O ATOM 1023 CB GLN A 71 -3.296 0.477 -11.882 1.00 0.64 C ATOM 1024 CG GLN A 71 -2.445 0.964 -13.057 1.00 0.83 C ATOM 1025 CD GLN A 71 -1.196 0.085 -13.182 1.00 0.89 C ATOM 1026 OE1 GLN A 71 -1.225 -0.940 -13.833 1.00 1.12 O ATOM 1027 NE2 GLN A 71 -0.094 0.448 -12.581 1.00 1.23 N ATOM 0 H GLN A 71 -1.470 1.102 -10.228 1.00 0.61 H new ATOM 0 HA GLN A 71 -3.816 2.508 -11.344 1.00 0.60 H new ATOM 0 HB2 GLN A 71 -2.828 -0.390 -11.416 1.00 0.64 H new ATOM 0 HB3 GLN A 71 -4.275 0.157 -12.238 1.00 0.64 H new ATOM 0 HG2 GLN A 71 -3.024 0.925 -13.980 1.00 0.83 H new ATOM 0 HG3 GLN A 71 -2.157 2.004 -12.905 1.00 0.83 H new ATOM 0 HE21 GLN A 71 -0.071 1.309 -12.035 1.00 1.23 H new ATOM 0 HE22 GLN A 71 0.743 -0.130 -12.658 1.00 1.23 H new ATOM 1036 N PRO A 72 -5.737 1.258 -10.123 1.00 0.52 N ATOM 1037 CA PRO A 72 -6.839 0.873 -9.217 1.00 0.50 C ATOM 1038 C PRO A 72 -6.997 -0.656 -9.176 1.00 0.49 C ATOM 1039 O PRO A 72 -6.611 -1.352 -10.099 1.00 0.53 O ATOM 1040 CB PRO A 72 -8.068 1.539 -9.842 1.00 0.54 C ATOM 1041 CG PRO A 72 -7.726 1.779 -11.332 1.00 0.58 C ATOM 1042 CD PRO A 72 -6.190 1.750 -11.443 1.00 0.56 C ATOM 0 HA PRO A 72 -6.673 1.183 -8.185 1.00 0.50 H new ATOM 0 HB2 PRO A 72 -8.947 0.902 -9.743 1.00 0.54 H new ATOM 0 HB3 PRO A 72 -8.297 2.479 -9.340 1.00 0.54 H new ATOM 0 HG2 PRO A 72 -8.174 1.010 -11.961 1.00 0.58 H new ATOM 0 HG3 PRO A 72 -8.121 2.737 -11.670 1.00 0.58 H new ATOM 0 HD2 PRO A 72 -5.862 1.091 -12.247 1.00 0.56 H new ATOM 0 HD3 PRO A 72 -5.788 2.740 -11.658 1.00 0.56 H new ATOM 1050 N ALA A 73 -7.561 -1.177 -8.108 1.00 0.49 N ATOM 1051 CA ALA A 73 -7.751 -2.660 -7.982 1.00 0.51 C ATOM 1052 C ALA A 73 -8.548 -3.199 -9.179 1.00 0.54 C ATOM 1053 O ALA A 73 -8.227 -4.242 -9.720 1.00 0.59 O ATOM 1054 CB ALA A 73 -8.508 -2.970 -6.687 1.00 0.56 C ATOM 0 H ALA A 73 -7.900 -0.634 -7.314 1.00 0.49 H new ATOM 0 HA ALA A 73 -6.773 -3.140 -7.962 1.00 0.51 H new ATOM 0 HB1 ALA A 73 -8.646 -4.047 -6.595 1.00 0.56 H new ATOM 0 HB2 ALA A 73 -7.936 -2.604 -5.835 1.00 0.56 H new ATOM 0 HB3 ALA A 73 -9.481 -2.480 -6.708 1.00 0.56 H new ATOM 1060 N GLY A 74 -9.580 -2.497 -9.595 1.00 0.55 N ATOM 1061 CA GLY A 74 -10.402 -2.962 -10.757 1.00 0.60 C ATOM 1062 C GLY A 74 -9.513 -3.128 -11.999 1.00 0.60 C ATOM 1063 O GLY A 74 -9.631 -4.100 -12.724 1.00 0.67 O ATOM 0 H GLY A 74 -9.887 -1.619 -9.176 1.00 0.55 H new ATOM 0 HA2 GLY A 74 -10.884 -3.909 -10.516 1.00 0.60 H new ATOM 0 HA3 GLY A 74 -11.196 -2.244 -10.962 1.00 0.60 H new ATOM 1067 N ASN A 75 -8.628 -2.188 -12.244 1.00 0.59 N ATOM 1068 CA ASN A 75 -7.724 -2.279 -13.436 1.00 0.62 C ATOM 1069 C ASN A 75 -6.683 -3.388 -13.223 1.00 0.58 C ATOM 1070 O ASN A 75 -6.346 -4.110 -14.143 1.00 0.63 O ATOM 1071 CB ASN A 75 -7.006 -0.940 -13.632 1.00 0.65 C ATOM 1072 CG ASN A 75 -7.051 -0.544 -15.110 1.00 1.12 C ATOM 1073 OD1 ASN A 75 -6.079 -0.704 -15.821 1.00 1.53 O ATOM 1074 ND2 ASN A 75 -8.144 -0.030 -15.605 1.00 1.61 N ATOM 0 H ASN A 75 -8.493 -1.358 -11.666 1.00 0.59 H new ATOM 0 HA ASN A 75 -8.319 -2.512 -14.319 1.00 0.62 H new ATOM 0 HB2 ASN A 75 -7.480 -0.169 -13.024 1.00 0.65 H new ATOM 0 HB3 ASN A 75 -5.972 -1.018 -13.298 1.00 0.65 H new ATOM 0 HD21 ASN A 75 -8.182 0.237 -16.589 1.00 1.61 H new ATOM 0 HD22 ASN A 75 -8.960 0.104 -15.008 1.00 1.61 H new ATOM 1081 N ILE A 76 -6.176 -3.527 -12.016 1.00 0.54 N ATOM 1082 CA ILE A 76 -5.157 -4.591 -11.730 1.00 0.53 C ATOM 1083 C ILE A 76 -5.769 -5.974 -12.000 1.00 0.55 C ATOM 1084 O ILE A 76 -5.128 -6.843 -12.561 1.00 0.61 O ATOM 1085 CB ILE A 76 -4.717 -4.498 -10.259 1.00 0.52 C ATOM 1086 CG1 ILE A 76 -4.026 -3.146 -10.009 1.00 0.51 C ATOM 1087 CG2 ILE A 76 -3.748 -5.641 -9.929 1.00 0.57 C ATOM 1088 CD1 ILE A 76 -2.702 -3.077 -10.778 1.00 0.56 C ATOM 0 H ILE A 76 -6.426 -2.947 -11.215 1.00 0.54 H new ATOM 0 HA ILE A 76 -4.291 -4.448 -12.376 1.00 0.53 H new ATOM 0 HB ILE A 76 -5.596 -4.579 -9.619 1.00 0.52 H new ATOM 0 HG12 ILE A 76 -4.680 -2.332 -10.322 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -3.843 -3.015 -8.943 1.00 0.51 H new ATOM 0 HG21 ILE A 76 -3.441 -5.568 -8.886 1.00 0.57 H new ATOM 0 HG22 ILE A 76 -4.243 -6.598 -10.095 1.00 0.57 H new ATOM 0 HG23 ILE A 76 -2.870 -5.571 -10.571 1.00 0.57 H new ATOM 0 HD11 ILE A 76 -2.223 -2.115 -10.593 1.00 0.56 H new ATOM 0 HD12 ILE A 76 -2.045 -3.880 -10.444 1.00 0.56 H new ATOM 0 HD13 ILE A 76 -2.895 -3.186 -11.845 1.00 0.56 H new ATOM 1100 N PHE A 77 -7.005 -6.177 -11.604 1.00 0.55 N ATOM 1101 CA PHE A 77 -7.675 -7.493 -11.831 1.00 0.60 C ATOM 1102 C PHE A 77 -8.062 -7.634 -13.311 1.00 0.64 C ATOM 1103 O PHE A 77 -8.023 -8.717 -13.868 1.00 0.72 O ATOM 1104 CB PHE A 77 -8.937 -7.571 -10.963 1.00 0.63 C ATOM 1105 CG PHE A 77 -9.433 -8.998 -10.899 1.00 0.66 C ATOM 1106 CD1 PHE A 77 -8.957 -9.861 -9.905 1.00 0.67 C ATOM 1107 CD2 PHE A 77 -10.369 -9.457 -11.833 1.00 0.82 C ATOM 1108 CE1 PHE A 77 -9.418 -11.181 -9.845 1.00 0.74 C ATOM 1109 CE2 PHE A 77 -10.830 -10.777 -11.773 1.00 0.90 C ATOM 1110 CZ PHE A 77 -10.354 -11.639 -10.779 1.00 0.82 C ATOM 0 H PHE A 77 -7.580 -5.480 -11.130 1.00 0.55 H new ATOM 0 HA PHE A 77 -6.991 -8.299 -11.563 1.00 0.60 H new ATOM 0 HB2 PHE A 77 -8.721 -7.207 -9.959 1.00 0.63 H new ATOM 0 HB3 PHE A 77 -9.713 -6.926 -11.376 1.00 0.63 H new ATOM 0 HD1 PHE A 77 -8.234 -9.508 -9.184 1.00 0.67 H new ATOM 0 HD2 PHE A 77 -10.736 -8.792 -12.601 1.00 0.82 H new ATOM 0 HE1 PHE A 77 -9.051 -11.846 -9.078 1.00 0.74 H new ATOM 0 HE2 PHE A 77 -11.553 -11.130 -12.494 1.00 0.90 H new ATOM 0 HZ PHE A 77 -10.709 -12.658 -10.733 1.00 0.82 H new ATOM 1120 N LEU A 78 -8.439 -6.549 -13.947 1.00 0.64 N ATOM 1121 CA LEU A 78 -8.836 -6.605 -15.389 1.00 0.69 C ATOM 1122 C LEU A 78 -7.626 -6.952 -16.269 1.00 0.70 C ATOM 1123 O LEU A 78 -7.766 -7.622 -17.277 1.00 0.80 O ATOM 1124 CB LEU A 78 -9.394 -5.239 -15.817 1.00 0.71 C ATOM 1125 CG LEU A 78 -10.910 -5.332 -16.045 1.00 0.81 C ATOM 1126 CD1 LEU A 78 -11.200 -6.264 -17.225 1.00 0.94 C ATOM 1127 CD2 LEU A 78 -11.592 -5.874 -14.784 1.00 0.87 C ATOM 0 H LEU A 78 -8.489 -5.622 -13.525 1.00 0.64 H new ATOM 0 HA LEU A 78 -9.596 -7.377 -15.512 1.00 0.69 H new ATOM 0 HB2 LEU A 78 -9.179 -4.494 -15.051 1.00 0.71 H new ATOM 0 HB3 LEU A 78 -8.901 -4.907 -16.731 1.00 0.71 H new ATOM 0 HG LEU A 78 -11.299 -4.338 -16.266 1.00 0.81 H new ATOM 0 HD11 LEU A 78 -12.277 -6.327 -17.383 1.00 0.94 H new ATOM 0 HD12 LEU A 78 -10.724 -5.872 -18.124 1.00 0.94 H new ATOM 0 HD13 LEU A 78 -10.806 -7.257 -17.009 1.00 0.94 H new ATOM 0 HD21 LEU A 78 -12.667 -5.938 -14.951 1.00 0.87 H new ATOM 0 HD22 LEU A 78 -11.200 -6.865 -14.556 1.00 0.87 H new ATOM 0 HD23 LEU A 78 -11.394 -5.205 -13.947 1.00 0.87 H new ATOM 1139 N LYS A 79 -6.448 -6.493 -15.906 1.00 0.66 N ATOM 1140 CA LYS A 79 -5.234 -6.787 -16.729 1.00 0.70 C ATOM 1141 C LYS A 79 -4.537 -8.055 -16.223 1.00 0.69 C ATOM 1142 O LYS A 79 -4.246 -8.954 -16.989 1.00 0.84 O ATOM 1143 CB LYS A 79 -4.260 -5.603 -16.640 1.00 0.71 C ATOM 1144 CG LYS A 79 -4.176 -4.904 -18.000 1.00 1.16 C ATOM 1145 CD LYS A 79 -3.196 -3.727 -17.914 1.00 1.31 C ATOM 1146 CE LYS A 79 -3.980 -2.419 -17.751 1.00 1.88 C ATOM 1147 NZ LYS A 79 -3.499 -1.681 -16.544 1.00 2.56 N ATOM 0 H LYS A 79 -6.278 -5.927 -15.074 1.00 0.66 H new ATOM 0 HA LYS A 79 -5.540 -6.942 -17.764 1.00 0.70 H new ATOM 0 HB2 LYS A 79 -4.596 -4.899 -15.878 1.00 0.71 H new ATOM 0 HB3 LYS A 79 -3.273 -5.953 -16.338 1.00 0.71 H new ATOM 0 HG2 LYS A 79 -3.847 -5.609 -18.763 1.00 1.16 H new ATOM 0 HG3 LYS A 79 -5.162 -4.548 -18.299 1.00 1.16 H new ATOM 0 HD2 LYS A 79 -2.519 -3.865 -17.071 1.00 1.31 H new ATOM 0 HD3 LYS A 79 -2.581 -3.685 -18.813 1.00 1.31 H new ATOM 0 HE2 LYS A 79 -3.857 -1.799 -18.639 1.00 1.88 H new ATOM 0 HE3 LYS A 79 -5.045 -2.633 -17.656 1.00 1.88 H new ATOM 0 HZ1 LYS A 79 -4.296 -1.179 -16.103 1.00 2.56 H new ATOM 0 HZ2 LYS A 79 -3.095 -2.355 -15.863 1.00 2.56 H new ATOM 0 HZ3 LYS A 79 -2.770 -0.994 -16.825 1.00 2.56 H new ATOM 1161 N HIS A 80 -4.251 -8.125 -14.942 1.00 0.59 N ATOM 1162 CA HIS A 80 -3.553 -9.327 -14.386 1.00 0.64 C ATOM 1163 C HIS A 80 -4.578 -10.311 -13.810 1.00 0.68 C ATOM 1164 O HIS A 80 -4.626 -11.461 -14.204 1.00 0.81 O ATOM 1165 CB HIS A 80 -2.576 -8.892 -13.282 1.00 0.65 C ATOM 1166 CG HIS A 80 -1.813 -7.671 -13.729 1.00 0.66 C ATOM 1167 ND1 HIS A 80 -1.066 -7.650 -14.897 1.00 0.76 N ATOM 1168 CD2 HIS A 80 -1.684 -6.418 -13.181 1.00 0.76 C ATOM 1169 CE1 HIS A 80 -0.527 -6.422 -15.012 1.00 0.84 C ATOM 1170 NE2 HIS A 80 -0.873 -5.632 -13.992 1.00 0.85 N ATOM 0 H HIS A 80 -4.472 -7.400 -14.259 1.00 0.59 H new ATOM 0 HA HIS A 80 -3.000 -9.819 -15.186 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -3.123 -8.675 -12.364 1.00 0.65 H new ATOM 0 HB3 HIS A 80 -1.883 -9.703 -13.056 1.00 0.65 H new ATOM 0 HD2 HIS A 80 -2.143 -6.093 -12.259 1.00 0.76 H new ATOM 0 HE1 HIS A 80 0.108 -6.113 -15.829 1.00 0.84 H new ATOM 0 HE2 HIS A 80 -0.601 -4.661 -13.841 1.00 0.85 H new ATOM 1178 N GLY A 81 -5.391 -9.865 -12.881 1.00 0.65 N ATOM 1179 CA GLY A 81 -6.415 -10.767 -12.268 1.00 0.71 C ATOM 1180 C GLY A 81 -5.915 -11.251 -10.905 1.00 0.66 C ATOM 1181 O GLY A 81 -5.804 -10.478 -9.972 1.00 0.78 O ATOM 0 H GLY A 81 -5.388 -8.911 -12.521 1.00 0.65 H new ATOM 0 HA2 GLY A 81 -7.361 -10.237 -12.154 1.00 0.71 H new ATOM 0 HA3 GLY A 81 -6.604 -11.618 -12.922 1.00 0.71 H new ATOM 1185 N SER A 82 -5.611 -12.523 -10.789 1.00 0.60 N ATOM 1186 CA SER A 82 -5.114 -13.068 -9.488 1.00 0.59 C ATOM 1187 C SER A 82 -3.726 -13.705 -9.683 1.00 0.60 C ATOM 1188 O SER A 82 -3.386 -14.686 -9.044 1.00 0.70 O ATOM 1189 CB SER A 82 -6.105 -14.117 -8.970 1.00 0.64 C ATOM 1190 OG SER A 82 -6.516 -13.766 -7.654 1.00 0.89 O ATOM 0 H SER A 82 -5.686 -13.207 -11.542 1.00 0.60 H new ATOM 0 HA SER A 82 -5.029 -12.259 -8.762 1.00 0.59 H new ATOM 0 HB2 SER A 82 -6.970 -14.174 -9.631 1.00 0.64 H new ATOM 0 HB3 SER A 82 -5.640 -15.103 -8.967 1.00 0.64 H new ATOM 0 HG SER A 82 -6.845 -12.843 -7.649 1.00 0.89 H new ATOM 1196 N GLU A 83 -2.919 -13.148 -10.558 1.00 0.60 N ATOM 1197 CA GLU A 83 -1.552 -13.710 -10.795 1.00 0.65 C ATOM 1198 C GLU A 83 -0.503 -12.629 -10.507 1.00 0.61 C ATOM 1199 O GLU A 83 -0.051 -11.930 -11.398 1.00 0.73 O ATOM 1200 CB GLU A 83 -1.441 -14.184 -12.248 1.00 0.82 C ATOM 1201 CG GLU A 83 -1.943 -15.628 -12.358 1.00 1.12 C ATOM 1202 CD GLU A 83 -3.150 -15.685 -13.299 1.00 1.65 C ATOM 1203 OE1 GLU A 83 -4.258 -15.489 -12.825 1.00 2.31 O ATOM 1204 OE2 GLU A 83 -2.946 -15.924 -14.479 1.00 1.85 O ATOM 0 H GLU A 83 -3.150 -12.327 -11.118 1.00 0.60 H new ATOM 0 HA GLU A 83 -1.380 -14.558 -10.133 1.00 0.65 H new ATOM 0 HB2 GLU A 83 -2.026 -13.534 -12.899 1.00 0.82 H new ATOM 0 HB3 GLU A 83 -0.406 -14.122 -12.583 1.00 0.82 H new ATOM 0 HG2 GLU A 83 -1.147 -16.272 -12.732 1.00 1.12 H new ATOM 0 HG3 GLU A 83 -2.220 -16.003 -11.373 1.00 1.12 H new ATOM 1211 N LEU A 84 -0.122 -12.483 -9.258 1.00 0.52 N ATOM 1212 CA LEU A 84 0.892 -11.446 -8.884 1.00 0.52 C ATOM 1213 C LEU A 84 1.964 -12.058 -7.968 1.00 0.45 C ATOM 1214 O LEU A 84 1.859 -13.194 -7.537 1.00 0.46 O ATOM 1215 CB LEU A 84 0.189 -10.292 -8.155 1.00 0.54 C ATOM 1216 CG LEU A 84 -0.724 -9.544 -9.136 1.00 0.66 C ATOM 1217 CD1 LEU A 84 -1.794 -8.770 -8.359 1.00 0.88 C ATOM 1218 CD2 LEU A 84 0.113 -8.569 -9.967 1.00 0.56 C ATOM 0 H LEU A 84 -0.472 -13.041 -8.479 1.00 0.52 H new ATOM 0 HA LEU A 84 1.374 -11.073 -9.788 1.00 0.52 H new ATOM 0 HB2 LEU A 84 -0.396 -10.678 -7.320 1.00 0.54 H new ATOM 0 HB3 LEU A 84 0.928 -9.609 -7.737 1.00 0.54 H new ATOM 0 HG LEU A 84 -1.210 -10.262 -9.797 1.00 0.66 H new ATOM 0 HD11 LEU A 84 -2.440 -8.240 -9.059 1.00 0.88 H new ATOM 0 HD12 LEU A 84 -2.391 -9.466 -7.770 1.00 0.88 H new ATOM 0 HD13 LEU A 84 -1.313 -8.052 -7.695 1.00 0.88 H new ATOM 0 HD21 LEU A 84 -0.534 -8.037 -10.664 1.00 0.56 H new ATOM 0 HD22 LEU A 84 0.601 -7.853 -9.306 1.00 0.56 H new ATOM 0 HD23 LEU A 84 0.870 -9.122 -10.524 1.00 0.56 H new ATOM 1230 N ARG A 85 2.999 -11.304 -7.676 1.00 0.48 N ATOM 1231 CA ARG A 85 4.099 -11.812 -6.796 1.00 0.44 C ATOM 1232 C ARG A 85 4.742 -10.635 -6.049 1.00 0.38 C ATOM 1233 O ARG A 85 4.672 -9.502 -6.487 1.00 0.36 O ATOM 1234 CB ARG A 85 5.157 -12.512 -7.656 1.00 0.49 C ATOM 1235 CG ARG A 85 4.891 -14.020 -7.679 1.00 0.63 C ATOM 1236 CD ARG A 85 4.804 -14.508 -9.129 1.00 0.87 C ATOM 1237 NE ARG A 85 5.898 -15.487 -9.389 1.00 1.22 N ATOM 1238 CZ ARG A 85 5.833 -16.285 -10.425 1.00 1.72 C ATOM 1239 NH1 ARG A 85 4.979 -17.277 -10.433 1.00 2.46 N ATOM 1240 NH2 ARG A 85 6.622 -16.091 -11.449 1.00 2.22 N ATOM 0 H ARG A 85 3.129 -10.350 -8.013 1.00 0.48 H new ATOM 0 HA ARG A 85 3.691 -12.520 -6.074 1.00 0.44 H new ATOM 0 HB2 ARG A 85 5.136 -12.114 -8.671 1.00 0.49 H new ATOM 0 HB3 ARG A 85 6.152 -12.315 -7.257 1.00 0.49 H new ATOM 0 HG2 ARG A 85 5.688 -14.547 -7.155 1.00 0.63 H new ATOM 0 HG3 ARG A 85 3.962 -14.243 -7.154 1.00 0.63 H new ATOM 0 HD2 ARG A 85 3.835 -14.973 -9.310 1.00 0.87 H new ATOM 0 HD3 ARG A 85 4.886 -13.664 -9.814 1.00 0.87 H new ATOM 0 HE ARG A 85 6.698 -15.535 -8.759 1.00 1.22 H new ATOM 0 HH11 ARG A 85 4.365 -17.428 -9.633 1.00 2.46 H new ATOM 0 HH12 ARG A 85 4.928 -17.899 -11.240 1.00 2.46 H new ATOM 0 HH21 ARG A 85 7.288 -15.318 -11.441 1.00 2.22 H new ATOM 0 HH22 ARG A 85 6.572 -16.712 -12.256 1.00 2.22 H new ATOM 1254 N LEU A 86 5.370 -10.897 -4.924 1.00 0.40 N ATOM 1255 CA LEU A 86 6.017 -9.795 -4.146 1.00 0.38 C ATOM 1256 C LEU A 86 7.535 -9.821 -4.368 1.00 0.38 C ATOM 1257 O LEU A 86 8.192 -10.820 -4.129 1.00 0.51 O ATOM 1258 CB LEU A 86 5.712 -9.968 -2.655 1.00 0.43 C ATOM 1259 CG LEU A 86 5.907 -8.629 -1.938 1.00 0.52 C ATOM 1260 CD1 LEU A 86 4.547 -8.059 -1.528 1.00 0.64 C ATOM 1261 CD2 LEU A 86 6.770 -8.840 -0.690 1.00 0.90 C ATOM 0 H LEU A 86 5.461 -11.826 -4.514 1.00 0.40 H new ATOM 0 HA LEU A 86 5.622 -8.838 -4.487 1.00 0.38 H new ATOM 0 HB2 LEU A 86 4.689 -10.320 -2.520 1.00 0.43 H new ATOM 0 HB3 LEU A 86 6.369 -10.723 -2.223 1.00 0.43 H new ATOM 0 HG LEU A 86 6.402 -7.929 -2.610 1.00 0.52 H new ATOM 0 HD11 LEU A 86 4.691 -7.106 -1.018 1.00 0.64 H new ATOM 0 HD12 LEU A 86 3.934 -7.907 -2.416 1.00 0.64 H new ATOM 0 HD13 LEU A 86 4.047 -8.758 -0.857 1.00 0.64 H new ATOM 0 HD21 LEU A 86 6.910 -7.887 -0.179 1.00 0.90 H new ATOM 0 HD22 LEU A 86 6.275 -9.542 -0.020 1.00 0.90 H new ATOM 0 HD23 LEU A 86 7.741 -9.240 -0.982 1.00 0.90 H new ATOM 1273 N ILE A 87 8.087 -8.720 -4.821 1.00 0.38 N ATOM 1274 CA ILE A 87 9.560 -8.644 -5.070 1.00 0.39 C ATOM 1275 C ILE A 87 10.085 -7.277 -4.587 1.00 0.38 C ATOM 1276 O ILE A 87 9.476 -6.257 -4.851 1.00 0.38 O ATOM 1277 CB ILE A 87 9.827 -8.816 -6.577 1.00 0.43 C ATOM 1278 CG1 ILE A 87 11.311 -8.567 -6.878 1.00 0.49 C ATOM 1279 CG2 ILE A 87 8.971 -7.826 -7.374 1.00 0.45 C ATOM 1280 CD1 ILE A 87 11.607 -8.925 -8.338 1.00 0.54 C ATOM 0 H ILE A 87 7.574 -7.864 -5.030 1.00 0.38 H new ATOM 0 HA ILE A 87 10.075 -9.435 -4.525 1.00 0.39 H new ATOM 0 HB ILE A 87 9.567 -9.834 -6.867 1.00 0.43 H new ATOM 0 HG12 ILE A 87 11.560 -7.522 -6.692 1.00 0.49 H new ATOM 0 HG13 ILE A 87 11.933 -9.166 -6.213 1.00 0.49 H new ATOM 0 HG21 ILE A 87 9.165 -7.953 -8.439 1.00 0.45 H new ATOM 0 HG22 ILE A 87 7.916 -8.012 -7.172 1.00 0.45 H new ATOM 0 HG23 ILE A 87 9.222 -6.807 -7.078 1.00 0.45 H new ATOM 0 HD11 ILE A 87 12.661 -8.747 -8.550 1.00 0.54 H new ATOM 0 HD12 ILE A 87 11.375 -9.976 -8.509 1.00 0.54 H new ATOM 0 HD13 ILE A 87 10.996 -8.307 -8.995 1.00 0.54 H new ATOM 1292 N PRO A 88 11.203 -7.297 -3.888 1.00 0.43 N ATOM 1293 CA PRO A 88 11.828 -6.067 -3.351 1.00 0.47 C ATOM 1294 C PRO A 88 12.507 -5.265 -4.473 1.00 0.49 C ATOM 1295 O PRO A 88 13.536 -5.657 -4.995 1.00 0.64 O ATOM 1296 CB PRO A 88 12.852 -6.596 -2.339 1.00 0.57 C ATOM 1297 CG PRO A 88 13.154 -8.056 -2.746 1.00 0.58 C ATOM 1298 CD PRO A 88 11.947 -8.537 -3.574 1.00 0.50 C ATOM 0 HA PRO A 88 11.110 -5.383 -2.899 1.00 0.47 H new ATOM 0 HB2 PRO A 88 13.760 -5.993 -2.354 1.00 0.57 H new ATOM 0 HB3 PRO A 88 12.455 -6.550 -1.325 1.00 0.57 H new ATOM 0 HG2 PRO A 88 14.073 -8.114 -3.330 1.00 0.58 H new ATOM 0 HG3 PRO A 88 13.295 -8.683 -1.866 1.00 0.58 H new ATOM 0 HD2 PRO A 88 12.266 -9.050 -4.481 1.00 0.50 H new ATOM 0 HD3 PRO A 88 11.332 -9.238 -3.010 1.00 0.50 H new ATOM 1306 N ARG A 89 11.929 -4.144 -4.841 1.00 0.50 N ATOM 1307 CA ARG A 89 12.518 -3.302 -5.926 1.00 0.54 C ATOM 1308 C ARG A 89 13.617 -2.403 -5.342 1.00 0.67 C ATOM 1309 O ARG A 89 13.373 -1.272 -4.956 1.00 1.04 O ATOM 1310 CB ARG A 89 11.425 -2.434 -6.557 1.00 0.61 C ATOM 1311 CG ARG A 89 11.774 -2.171 -8.022 1.00 0.67 C ATOM 1312 CD ARG A 89 10.684 -1.309 -8.658 1.00 0.65 C ATOM 1313 NE ARG A 89 10.690 -1.513 -10.134 1.00 0.93 N ATOM 1314 CZ ARG A 89 9.601 -1.310 -10.823 1.00 0.97 C ATOM 1315 NH1 ARG A 89 8.738 -2.281 -10.980 1.00 1.17 N ATOM 1316 NH2 ARG A 89 9.377 -0.135 -11.354 1.00 1.24 N ATOM 0 H ARG A 89 11.070 -3.777 -4.432 1.00 0.50 H new ATOM 0 HA ARG A 89 12.949 -3.949 -6.690 1.00 0.54 H new ATOM 0 HB2 ARG A 89 10.460 -2.935 -6.485 1.00 0.61 H new ATOM 0 HB3 ARG A 89 11.336 -1.491 -6.017 1.00 0.61 H new ATOM 0 HG2 ARG A 89 12.738 -1.668 -8.093 1.00 0.67 H new ATOM 0 HG3 ARG A 89 11.867 -3.114 -8.560 1.00 0.67 H new ATOM 0 HD2 ARG A 89 9.710 -1.574 -8.247 1.00 0.65 H new ATOM 0 HD3 ARG A 89 10.854 -0.258 -8.424 1.00 0.65 H new ATOM 0 HE ARG A 89 11.544 -1.811 -10.605 1.00 0.93 H new ATOM 0 HH11 ARG A 89 8.917 -3.195 -10.564 1.00 1.17 H new ATOM 0 HH12 ARG A 89 7.886 -2.124 -11.518 1.00 1.17 H new ATOM 0 HH21 ARG A 89 10.053 0.619 -11.229 1.00 1.24 H new ATOM 0 HH22 ARG A 89 8.527 0.027 -11.893 1.00 1.24 H new ATOM 1330 N ASP A 90 14.826 -2.904 -5.278 1.00 0.75 N ATOM 1331 CA ASP A 90 15.955 -2.095 -4.723 1.00 0.90 C ATOM 1332 C ASP A 90 17.156 -2.180 -5.670 1.00 1.14 C ATOM 1333 O ASP A 90 17.717 -1.171 -6.059 1.00 1.36 O ATOM 1334 CB ASP A 90 16.344 -2.638 -3.343 1.00 0.96 C ATOM 1335 CG ASP A 90 15.220 -2.355 -2.340 1.00 0.99 C ATOM 1336 OD1 ASP A 90 14.269 -3.122 -2.307 1.00 1.06 O ATOM 1337 OD2 ASP A 90 15.330 -1.375 -1.621 1.00 1.20 O ATOM 0 H ASP A 90 15.080 -3.842 -5.587 1.00 0.75 H new ATOM 0 HA ASP A 90 15.645 -1.054 -4.625 1.00 0.90 H new ATOM 0 HB2 ASP A 90 16.529 -3.710 -3.403 1.00 0.96 H new ATOM 0 HB3 ASP A 90 17.270 -2.173 -3.006 1.00 0.96 H new ATOM 1342 N ARG A 91 17.547 -3.377 -6.048 1.00 1.25 N ATOM 1343 CA ARG A 91 18.706 -3.540 -6.977 1.00 1.58 C ATOM 1344 C ARG A 91 18.192 -3.676 -8.414 1.00 1.49 C ATOM 1345 O ARG A 91 18.617 -2.960 -9.302 1.00 1.74 O ATOM 1346 CB ARG A 91 19.497 -4.797 -6.598 1.00 1.86 C ATOM 1347 CG ARG A 91 20.995 -4.533 -6.784 1.00 2.24 C ATOM 1348 CD ARG A 91 21.683 -5.798 -7.308 1.00 2.86 C ATOM 1349 NE ARG A 91 22.784 -5.419 -8.242 1.00 2.81 N ATOM 1350 CZ ARG A 91 22.638 -5.582 -9.531 1.00 3.07 C ATOM 1351 NH1 ARG A 91 22.458 -6.780 -10.025 1.00 3.72 N ATOM 1352 NH2 ARG A 91 22.681 -4.547 -10.328 1.00 3.06 N ATOM 0 H ARG A 91 17.109 -4.249 -5.750 1.00 1.25 H new ATOM 0 HA ARG A 91 19.355 -2.668 -6.902 1.00 1.58 H new ATOM 0 HB2 ARG A 91 19.291 -5.071 -5.563 1.00 1.86 H new ATOM 0 HB3 ARG A 91 19.185 -5.637 -7.219 1.00 1.86 H new ATOM 0 HG2 ARG A 91 21.145 -3.710 -7.483 1.00 2.24 H new ATOM 0 HG3 ARG A 91 21.441 -4.231 -5.836 1.00 2.24 H new ATOM 0 HD2 ARG A 91 22.082 -6.378 -6.476 1.00 2.86 H new ATOM 0 HD3 ARG A 91 20.959 -6.432 -7.821 1.00 2.86 H new ATOM 0 HE ARG A 91 23.653 -5.032 -7.874 1.00 2.81 H new ATOM 0 HH11 ARG A 91 22.431 -7.589 -9.404 1.00 3.72 H new ATOM 0 HH12 ARG A 91 22.344 -6.905 -11.031 1.00 3.72 H new ATOM 0 HH21 ARG A 91 22.828 -3.614 -9.944 1.00 3.06 H new ATOM 0 HH22 ARG A 91 22.567 -4.673 -11.334 1.00 3.06 H new ATOM 1366 N VAL A 92 17.283 -4.596 -8.643 1.00 1.25 N ATOM 1367 CA VAL A 92 16.733 -4.799 -10.023 1.00 1.18 C ATOM 1368 C VAL A 92 15.490 -3.920 -10.234 1.00 1.03 C ATOM 1369 O VAL A 92 14.826 -3.525 -9.290 1.00 1.05 O ATOM 1370 CB VAL A 92 16.360 -6.276 -10.222 1.00 1.18 C ATOM 1371 CG1 VAL A 92 17.610 -7.145 -10.066 1.00 1.42 C ATOM 1372 CG2 VAL A 92 15.313 -6.698 -9.183 1.00 1.12 C ATOM 0 H VAL A 92 16.897 -5.217 -7.931 1.00 1.25 H new ATOM 0 HA VAL A 92 17.495 -4.516 -10.750 1.00 1.18 H new ATOM 0 HB VAL A 92 15.945 -6.406 -11.222 1.00 1.18 H new ATOM 0 HG11 VAL A 92 17.345 -8.193 -10.207 1.00 1.42 H new ATOM 0 HG12 VAL A 92 18.350 -6.854 -10.811 1.00 1.42 H new ATOM 0 HG13 VAL A 92 18.026 -7.008 -9.068 1.00 1.42 H new ATOM 0 HG21 VAL A 92 15.055 -7.746 -9.332 1.00 1.12 H new ATOM 0 HG22 VAL A 92 15.720 -6.563 -8.181 1.00 1.12 H new ATOM 0 HG23 VAL A 92 14.419 -6.084 -9.297 1.00 1.12 H new ATOM 1382 N GLY A 93 15.174 -3.620 -11.474 1.00 1.02 N ATOM 1383 CA GLY A 93 13.977 -2.774 -11.774 1.00 0.97 C ATOM 1384 C GLY A 93 12.751 -3.673 -11.956 1.00 0.76 C ATOM 1385 O GLY A 93 12.187 -3.756 -13.032 1.00 0.85 O ATOM 0 H GLY A 93 15.698 -3.928 -12.293 1.00 1.02 H new ATOM 0 HA2 GLY A 93 13.806 -2.067 -10.963 1.00 0.97 H new ATOM 0 HA3 GLY A 93 14.149 -2.188 -12.677 1.00 0.97 H new ATOM 1389 N HIS A 94 12.341 -4.346 -10.907 1.00 0.64 N ATOM 1390 CA HIS A 94 11.152 -5.250 -10.998 1.00 0.59 C ATOM 1391 C HIS A 94 10.420 -5.287 -9.646 1.00 0.67 C ATOM 1392 O HIS A 94 9.212 -5.106 -9.647 1.00 0.77 O ATOM 1393 CB HIS A 94 11.618 -6.663 -11.375 1.00 0.67 C ATOM 1394 CG HIS A 94 10.828 -7.168 -12.556 1.00 0.84 C ATOM 1395 ND1 HIS A 94 10.848 -8.501 -12.940 1.00 1.65 N ATOM 1396 CD2 HIS A 94 9.995 -6.536 -13.445 1.00 1.23 C ATOM 1397 CE1 HIS A 94 10.049 -8.623 -14.017 1.00 1.78 C ATOM 1398 NE2 HIS A 94 9.504 -7.455 -14.366 1.00 1.44 N ATOM 1399 OXT HIS A 94 11.075 -5.491 -8.633 1.00 0.77 O ATOM 0 H HIS A 94 12.781 -4.307 -9.988 1.00 0.64 H new ATOM 0 HA HIS A 94 10.469 -4.876 -11.760 1.00 0.59 H new ATOM 0 HB2 HIS A 94 12.681 -6.652 -11.616 1.00 0.67 H new ATOM 0 HB3 HIS A 94 11.490 -7.336 -10.527 1.00 0.67 H new ATOM 0 HD2 HIS A 94 9.757 -5.483 -13.431 1.00 1.23 H new ATOM 0 HE1 HIS A 94 9.871 -9.553 -14.536 1.00 1.78 H new ATOM 0 HE2 HIS A 94 8.865 -7.276 -15.141 1.00 1.44 H new TER 1407 HIS A 94