USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 Single : A 92 THR OG1 : rot -26:sc= 0.459 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.808 (180deg=-0.0621!) USER MOD Single : A 103 CYS SG : rot -170:sc= -7.44! USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 172:sc= -3.5! USER MOD Single : A 112 GLN : amide:sc= -6.32! C(o=-6.3!,f=-8.3!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0191) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0875 USER MOD Single : A 146 MET CE :methyl -130:sc= -0.365 (180deg=-1.18) USER MOD Single : A 149 SER OG : rot -106:sc= 2.74 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 153 LYS NZ :NH3+ -153:sc= 0.288 (180deg=0.0954) USER MOD Single : A 156 SER OG : rot -9:sc= 1.15 USER MOD Single : A 159 SER OG : rot -56:sc= 0.123 USER MOD Single : A 165 SER OG : rot 47:sc= 0.0262 USER MOD Single : A 166 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 92 20.028 1.668 -0.033 1.00 8.03 N ATOM 2 CA THR A 92 18.889 2.531 0.343 1.00 7.46 C ATOM 3 C THR A 92 17.567 1.859 -0.012 1.00 6.63 C ATOM 4 O THR A 92 17.095 1.947 -1.145 1.00 6.72 O ATOM 5 CB THR A 92 18.989 3.903 -0.354 1.00 8.01 C ATOM 6 OG1 THR A 92 19.500 3.742 -1.687 1.00 8.47 O ATOM 7 CG2 THR A 92 19.893 4.844 0.430 1.00 8.43 C ATOM 0 HA THR A 92 18.925 2.686 1.421 1.00 7.46 H new ATOM 0 HB THR A 92 17.990 4.336 -0.398 1.00 8.01 H new ATOM 0 HG1 THR A 92 20.045 2.929 -1.733 1.00 8.47 H new ATOM 0 HG21 THR A 92 19.948 5.805 -0.081 1.00 8.43 H new ATOM 0 HG22 THR A 92 19.487 4.988 1.431 1.00 8.43 H new ATOM 0 HG23 THR A 92 20.892 4.413 0.502 1.00 8.43 H new ATOM 15 N ASN A 93 16.981 1.180 0.962 1.00 6.15 N ATOM 16 CA ASN A 93 15.764 0.409 0.746 1.00 5.66 C ATOM 17 C ASN A 93 14.537 1.305 0.645 1.00 4.78 C ATOM 18 O ASN A 93 13.904 1.392 -0.402 1.00 4.22 O ATOM 19 CB ASN A 93 15.558 -0.595 1.887 1.00 6.22 C ATOM 20 CG ASN A 93 16.632 -1.663 1.941 1.00 6.86 C ATOM 21 OD1 ASN A 93 17.177 -2.074 0.917 1.00 7.24 O ATOM 22 ND2 ASN A 93 16.951 -2.120 3.141 1.00 7.30 N ATOM 0 H ASN A 93 17.332 1.147 1.919 1.00 6.15 H new ATOM 0 HA ASN A 93 15.884 -0.121 -0.199 1.00 5.66 H new ATOM 0 HB2 ASN A 93 15.539 -0.059 2.836 1.00 6.22 H new ATOM 0 HB3 ASN A 93 14.585 -1.072 1.772 1.00 6.22 H new ATOM 0 HD21 ASN A 93 17.670 -2.837 3.239 1.00 7.30 H new ATOM 0 HD22 ASN A 93 16.478 -1.756 3.968 1.00 7.30 H new ATOM 29 N LYS A 94 14.235 2.003 1.727 1.00 4.91 N ATOM 30 CA LYS A 94 12.946 2.674 1.879 1.00 4.46 C ATOM 31 C LYS A 94 12.832 3.954 1.059 1.00 4.06 C ATOM 32 O LYS A 94 11.775 4.587 1.051 1.00 3.98 O ATOM 33 CB LYS A 94 12.657 2.928 3.356 1.00 5.23 C ATOM 34 CG LYS A 94 12.650 1.644 4.172 1.00 5.95 C ATOM 35 CD LYS A 94 11.830 0.559 3.483 1.00 6.84 C ATOM 36 CE LYS A 94 11.859 -0.755 4.248 1.00 7.32 C ATOM 37 NZ LYS A 94 11.214 -0.643 5.581 1.00 7.57 N ATOM 0 H LYS A 94 14.866 2.123 2.519 1.00 4.91 H new ATOM 0 HA LYS A 94 12.187 2.002 1.479 1.00 4.46 H new ATOM 0 HB2 LYS A 94 13.408 3.608 3.759 1.00 5.23 H new ATOM 0 HB3 LYS A 94 11.691 3.424 3.455 1.00 5.23 H new ATOM 0 HG2 LYS A 94 13.673 1.295 4.315 1.00 5.95 H new ATOM 0 HG3 LYS A 94 12.239 1.841 5.162 1.00 5.95 H new ATOM 0 HD2 LYS A 94 10.798 0.895 3.381 1.00 6.84 H new ATOM 0 HD3 LYS A 94 12.215 0.400 2.476 1.00 6.84 H new ATOM 0 HE2 LYS A 94 11.353 -1.524 3.665 1.00 7.32 H new ATOM 0 HE3 LYS A 94 12.893 -1.078 4.372 1.00 7.32 H new ATOM 0 HZ1 LYS A 94 11.579 -1.389 6.207 1.00 7.57 H new ATOM 0 HZ2 LYS A 94 11.427 0.288 5.992 1.00 7.57 H new ATOM 0 HZ3 LYS A 94 10.185 -0.749 5.479 1.00 7.57 H new ATOM 51 N ARG A 95 13.929 4.334 0.407 1.00 4.14 N ATOM 52 CA ARG A 95 13.941 5.423 -0.569 1.00 3.96 C ATOM 53 C ARG A 95 12.673 5.381 -1.425 1.00 2.94 C ATOM 54 O ARG A 95 11.907 6.348 -1.489 1.00 3.14 O ATOM 55 CB ARG A 95 15.186 5.257 -1.443 1.00 4.66 C ATOM 56 CG ARG A 95 15.353 6.302 -2.522 1.00 5.41 C ATOM 57 CD ARG A 95 16.644 6.075 -3.290 1.00 5.88 C ATOM 58 NE ARG A 95 16.835 7.030 -4.376 1.00 6.06 N ATOM 59 CZ ARG A 95 17.659 6.822 -5.400 1.00 6.59 C ATOM 60 NH1 ARG A 95 18.319 5.672 -5.504 1.00 6.97 N ATOM 61 NH2 ARG A 95 17.809 7.751 -6.334 1.00 7.04 N ATOM 0 H ARG A 95 14.839 3.893 0.541 1.00 4.14 H new ATOM 0 HA ARG A 95 13.966 6.387 -0.062 1.00 3.96 H new ATOM 0 HB2 ARG A 95 16.067 5.275 -0.801 1.00 4.66 H new ATOM 0 HB3 ARG A 95 15.154 4.274 -1.912 1.00 4.66 H new ATOM 0 HG2 ARG A 95 14.505 6.265 -3.206 1.00 5.41 H new ATOM 0 HG3 ARG A 95 15.359 7.296 -2.075 1.00 5.41 H new ATOM 0 HD2 ARG A 95 17.487 6.142 -2.602 1.00 5.88 H new ATOM 0 HD3 ARG A 95 16.645 5.064 -3.698 1.00 5.88 H new ATOM 0 HE ARG A 95 16.309 7.904 -4.349 1.00 6.06 H new ATOM 0 HH11 ARG A 95 18.194 4.947 -4.798 1.00 6.97 H new ATOM 0 HH12 ARG A 95 18.950 5.515 -6.290 1.00 6.97 H new ATOM 0 HH21 ARG A 95 17.292 8.628 -6.269 1.00 7.04 H new ATOM 0 HH22 ARG A 95 18.441 7.589 -7.118 1.00 7.04 H new ATOM 75 N GLY A 96 12.470 4.245 -2.065 1.00 2.26 N ATOM 76 CA GLY A 96 11.212 3.960 -2.730 1.00 1.52 C ATOM 77 C GLY A 96 10.976 4.726 -4.025 1.00 1.24 C ATOM 78 O GLY A 96 11.791 5.545 -4.455 1.00 1.45 O ATOM 0 H GLY A 96 13.164 3.501 -2.139 1.00 2.26 H new ATOM 0 HA2 GLY A 96 11.166 2.892 -2.944 1.00 1.52 H new ATOM 0 HA3 GLY A 96 10.397 4.182 -2.041 1.00 1.52 H new ATOM 82 N GLU A 97 9.824 4.436 -4.617 1.00 0.95 N ATOM 83 CA GLU A 97 9.367 5.036 -5.878 1.00 0.95 C ATOM 84 C GLU A 97 8.967 6.509 -5.711 1.00 1.03 C ATOM 85 O GLU A 97 8.693 7.205 -6.695 1.00 1.23 O ATOM 86 CB GLU A 97 8.160 4.222 -6.392 1.00 1.06 C ATOM 87 CG GLU A 97 7.553 4.679 -7.713 1.00 1.81 C ATOM 88 CD GLU A 97 6.327 3.863 -8.108 1.00 2.46 C ATOM 89 OE1 GLU A 97 5.930 2.959 -7.335 1.00 2.85 O ATOM 90 OE2 GLU A 97 5.758 4.118 -9.191 1.00 3.13 O ATOM 0 H GLU A 97 9.162 3.763 -4.230 1.00 0.95 H new ATOM 0 HA GLU A 97 10.190 5.009 -6.592 1.00 0.95 H new ATOM 0 HB2 GLU A 97 8.469 3.182 -6.499 1.00 1.06 H new ATOM 0 HB3 GLU A 97 7.381 4.247 -5.630 1.00 1.06 H new ATOM 0 HG2 GLU A 97 7.276 5.730 -7.637 1.00 1.81 H new ATOM 0 HG3 GLU A 97 8.304 4.603 -8.499 1.00 1.81 H new ATOM 97 N ARG A 98 8.963 6.973 -4.459 1.00 1.10 N ATOM 98 CA ARG A 98 8.646 8.364 -4.120 1.00 1.35 C ATOM 99 C ARG A 98 7.167 8.681 -4.340 1.00 1.27 C ATOM 100 O ARG A 98 6.565 8.229 -5.305 1.00 1.93 O ATOM 101 CB ARG A 98 9.525 9.344 -4.909 1.00 1.67 C ATOM 102 CG ARG A 98 11.011 9.202 -4.618 1.00 2.05 C ATOM 103 CD ARG A 98 11.293 9.322 -3.129 1.00 2.48 C ATOM 104 NE ARG A 98 10.732 10.549 -2.571 1.00 3.00 N ATOM 105 CZ ARG A 98 10.404 10.707 -1.291 1.00 3.77 C ATOM 106 NH1 ARG A 98 10.614 9.728 -0.419 1.00 4.12 N ATOM 107 NH2 ARG A 98 9.870 11.853 -0.887 1.00 4.59 N ATOM 0 H ARG A 98 9.180 6.393 -3.648 1.00 1.10 H new ATOM 0 HA ARG A 98 8.859 8.487 -3.058 1.00 1.35 H new ATOM 0 HB2 ARG A 98 9.356 9.192 -5.975 1.00 1.67 H new ATOM 0 HB3 ARG A 98 9.214 10.363 -4.679 1.00 1.67 H new ATOM 0 HG2 ARG A 98 11.365 8.237 -4.981 1.00 2.05 H new ATOM 0 HG3 ARG A 98 11.565 9.969 -5.159 1.00 2.05 H new ATOM 0 HD2 ARG A 98 10.874 8.461 -2.609 1.00 2.48 H new ATOM 0 HD3 ARG A 98 12.370 9.304 -2.960 1.00 2.48 H new ATOM 0 HE ARG A 98 10.582 11.336 -3.203 1.00 3.00 H new ATOM 0 HH11 ARG A 98 11.029 8.849 -0.729 1.00 4.12 H new ATOM 0 HH12 ARG A 98 10.361 9.855 0.561 1.00 4.12 H new ATOM 0 HH21 ARG A 98 9.713 12.607 -1.556 1.00 4.59 H new ATOM 0 HH22 ARG A 98 9.616 11.980 0.093 1.00 4.59 H new ATOM 121 N ARG A 99 6.619 9.509 -3.449 1.00 0.83 N ATOM 122 CA ARG A 99 5.207 9.829 -3.404 1.00 0.74 C ATOM 123 C ARG A 99 4.314 8.626 -3.703 1.00 0.61 C ATOM 124 O ARG A 99 4.101 7.788 -2.837 1.00 0.81 O ATOM 125 CB ARG A 99 4.940 10.999 -4.326 1.00 0.82 C ATOM 126 CG ARG A 99 4.817 12.321 -3.587 1.00 1.25 C ATOM 127 CD ARG A 99 4.610 13.489 -4.533 1.00 1.93 C ATOM 128 NE ARG A 99 4.595 14.763 -3.818 1.00 2.44 N ATOM 129 CZ ARG A 99 4.840 15.944 -4.383 1.00 3.38 C ATOM 130 NH1 ARG A 99 5.075 16.031 -5.686 1.00 3.93 N ATOM 131 NH2 ARG A 99 4.848 17.041 -3.641 1.00 4.16 N ATOM 0 H ARG A 99 7.163 9.981 -2.727 1.00 0.83 H new ATOM 0 HA ARG A 99 4.946 10.116 -2.385 1.00 0.74 H new ATOM 0 HB2 ARG A 99 5.746 11.071 -5.056 1.00 0.82 H new ATOM 0 HB3 ARG A 99 4.022 10.813 -4.883 1.00 0.82 H new ATOM 0 HG2 ARG A 99 3.982 12.269 -2.889 1.00 1.25 H new ATOM 0 HG3 ARG A 99 5.717 12.490 -2.995 1.00 1.25 H new ATOM 0 HD2 ARG A 99 5.405 13.499 -5.279 1.00 1.93 H new ATOM 0 HD3 ARG A 99 3.670 13.361 -5.070 1.00 1.93 H new ATOM 0 HE ARG A 99 4.383 14.747 -2.820 1.00 2.44 H new ATOM 0 HH11 ARG A 99 5.069 15.190 -6.263 1.00 3.93 H new ATOM 0 HH12 ARG A 99 5.262 16.939 -6.111 1.00 3.93 H new ATOM 0 HH21 ARG A 99 4.667 16.980 -2.639 1.00 4.16 H new ATOM 0 HH22 ARG A 99 5.035 17.947 -4.071 1.00 4.16 H new ATOM 145 N ARG A 100 3.821 8.524 -4.924 1.00 0.49 N ATOM 146 CA ARG A 100 3.004 7.397 -5.312 1.00 0.40 C ATOM 147 C ARG A 100 3.866 6.156 -5.453 1.00 0.30 C ATOM 148 O ARG A 100 4.757 6.112 -6.301 1.00 0.38 O ATOM 149 CB ARG A 100 2.309 7.677 -6.637 1.00 0.52 C ATOM 150 CG ARG A 100 1.315 8.818 -6.585 1.00 1.30 C ATOM 151 CD ARG A 100 0.807 9.151 -7.975 1.00 1.78 C ATOM 152 NE ARG A 100 1.907 9.431 -8.893 1.00 2.38 N ATOM 153 CZ ARG A 100 2.102 10.607 -9.482 1.00 3.05 C ATOM 154 NH1 ARG A 100 1.260 11.612 -9.266 1.00 3.22 N ATOM 155 NH2 ARG A 100 3.146 10.777 -10.285 1.00 3.96 N ATOM 0 H ARG A 100 3.974 9.211 -5.662 1.00 0.49 H new ATOM 0 HA ARG A 100 2.252 7.235 -4.540 1.00 0.40 H new ATOM 0 HB2 ARG A 100 3.064 7.901 -7.391 1.00 0.52 H new ATOM 0 HB3 ARG A 100 1.792 6.774 -6.962 1.00 0.52 H new ATOM 0 HG2 ARG A 100 0.478 8.548 -5.941 1.00 1.30 H new ATOM 0 HG3 ARG A 100 1.786 9.697 -6.144 1.00 1.30 H new ATOM 0 HD2 ARG A 100 0.216 8.319 -8.357 1.00 1.78 H new ATOM 0 HD3 ARG A 100 0.145 10.015 -7.924 1.00 1.78 H new ATOM 0 HE ARG A 100 2.566 8.679 -9.095 1.00 2.38 H new ATOM 0 HH11 ARG A 100 0.460 11.483 -8.646 1.00 3.22 H new ATOM 0 HH12 ARG A 100 1.413 12.512 -9.720 1.00 3.22 H new ATOM 0 HH21 ARG A 100 3.795 10.007 -10.448 1.00 3.96 H new ATOM 0 HH22 ARG A 100 3.299 11.678 -10.739 1.00 3.96 H new ATOM 169 N ARG A 101 3.616 5.154 -4.623 1.00 0.22 N ATOM 170 CA ARG A 101 4.388 3.944 -4.678 1.00 0.20 C ATOM 171 C ARG A 101 3.456 2.751 -4.751 1.00 0.14 C ATOM 172 O ARG A 101 2.509 2.650 -3.982 1.00 0.13 O ATOM 173 CB ARG A 101 5.323 3.861 -3.470 1.00 0.30 C ATOM 174 CG ARG A 101 6.427 4.904 -3.513 1.00 1.04 C ATOM 175 CD ARG A 101 6.838 5.378 -2.129 1.00 1.75 C ATOM 176 NE ARG A 101 7.498 4.342 -1.334 1.00 2.50 N ATOM 177 CZ ARG A 101 8.049 4.571 -0.136 1.00 3.39 C ATOM 178 NH1 ARG A 101 8.017 5.789 0.392 1.00 3.85 N ATOM 179 NH2 ARG A 101 8.624 3.586 0.542 1.00 4.20 N ATOM 0 H ARG A 101 2.886 5.164 -3.910 1.00 0.22 H new ATOM 0 HA ARG A 101 5.010 3.943 -5.573 1.00 0.20 H new ATOM 0 HB2 ARG A 101 4.742 3.989 -2.556 1.00 0.30 H new ATOM 0 HB3 ARG A 101 5.769 2.867 -3.428 1.00 0.30 H new ATOM 0 HG2 ARG A 101 7.296 4.487 -4.023 1.00 1.04 H new ATOM 0 HG3 ARG A 101 6.092 5.758 -4.101 1.00 1.04 H new ATOM 0 HD2 ARG A 101 7.509 6.231 -2.229 1.00 1.75 H new ATOM 0 HD3 ARG A 101 5.954 5.728 -1.595 1.00 1.75 H new ATOM 0 HE ARG A 101 7.540 3.396 -1.713 1.00 2.50 H new ATOM 0 HH11 ARG A 101 7.572 6.553 -0.116 1.00 3.85 H new ATOM 0 HH12 ARG A 101 8.438 5.960 1.305 1.00 3.85 H new ATOM 0 HH21 ARG A 101 8.649 2.644 0.151 1.00 4.20 H new ATOM 0 HH22 ARG A 101 9.041 3.771 1.454 1.00 4.20 H new ATOM 193 N ARG A 102 3.773 1.819 -5.618 1.00 0.15 N ATOM 194 CA ARG A 102 2.803 0.810 -6.018 1.00 0.13 C ATOM 195 C ARG A 102 2.985 -0.547 -5.350 1.00 0.13 C ATOM 196 O ARG A 102 4.006 -1.216 -5.507 1.00 0.18 O ATOM 197 CB ARG A 102 2.839 0.658 -7.538 1.00 0.22 C ATOM 198 CG ARG A 102 4.222 0.339 -8.095 1.00 0.87 C ATOM 199 CD ARG A 102 4.269 0.515 -9.604 1.00 0.95 C ATOM 200 NE ARG A 102 4.028 1.904 -9.994 1.00 1.66 N ATOM 201 CZ ARG A 102 3.160 2.273 -10.937 1.00 2.22 C ATOM 202 NH1 ARG A 102 2.507 1.354 -11.644 1.00 2.19 N ATOM 203 NH2 ARG A 102 2.959 3.564 -11.185 1.00 3.32 N ATOM 0 H ARG A 102 4.687 1.733 -6.061 1.00 0.15 H new ATOM 0 HA ARG A 102 1.830 1.167 -5.680 1.00 0.13 H new ATOM 0 HB2 ARG A 102 2.149 -0.133 -7.830 1.00 0.22 H new ATOM 0 HB3 ARG A 102 2.478 1.580 -7.994 1.00 0.22 H new ATOM 0 HG2 ARG A 102 4.962 0.989 -7.629 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.491 -0.686 -7.839 1.00 0.87 H new ATOM 0 HD2 ARG A 102 5.242 0.196 -9.978 1.00 0.95 H new ATOM 0 HD3 ARG A 102 3.522 -0.128 -10.069 1.00 0.95 H new ATOM 0 HE ARG A 102 4.556 2.634 -9.516 1.00 1.66 H new ATOM 0 HH11 ARG A 102 2.669 0.363 -11.466 1.00 2.19 H new ATOM 0 HH12 ARG A 102 1.844 1.641 -12.364 1.00 2.19 H new ATOM 0 HH21 ARG A 102 3.468 4.271 -10.654 1.00 3.32 H new ATOM 0 HH22 ARG A 102 2.295 3.848 -11.906 1.00 3.32 H new ATOM 217 N CYS A 103 1.919 -0.972 -4.686 1.00 0.11 N ATOM 218 CA CYS A 103 1.877 -2.198 -3.916 1.00 0.12 C ATOM 219 C CYS A 103 0.751 -3.107 -4.370 1.00 0.12 C ATOM 220 O CYS A 103 -0.284 -2.644 -4.818 1.00 0.14 O ATOM 221 CB CYS A 103 1.633 -1.836 -2.474 1.00 0.12 C ATOM 222 SG CYS A 103 0.639 -0.341 -2.254 1.00 0.12 S ATOM 0 H CYS A 103 1.039 -0.457 -4.670 1.00 0.11 H new ATOM 0 HA CYS A 103 2.822 -2.724 -4.052 1.00 0.12 H new ATOM 0 HB2 CYS A 103 1.133 -2.669 -1.980 1.00 0.12 H new ATOM 0 HB3 CYS A 103 2.593 -1.699 -1.976 1.00 0.12 H new ATOM 0 HG CYS A 103 0.655 0.011 -1.003 1.00 0.12 H new ATOM 228 N GLN A 104 0.956 -4.398 -4.248 1.00 0.14 N ATOM 229 CA GLN A 104 -0.073 -5.364 -4.584 1.00 0.14 C ATOM 230 C GLN A 104 -0.783 -5.916 -3.355 1.00 0.16 C ATOM 231 O GLN A 104 -0.184 -6.538 -2.479 1.00 0.33 O ATOM 232 CB GLN A 104 0.519 -6.471 -5.422 1.00 0.19 C ATOM 233 CG GLN A 104 0.063 -7.878 -5.060 1.00 0.26 C ATOM 234 CD GLN A 104 0.796 -8.943 -5.847 1.00 0.57 C ATOM 235 OE1 GLN A 104 0.349 -9.361 -6.912 1.00 1.21 O ATOM 236 NE2 GLN A 104 1.930 -9.383 -5.332 1.00 1.38 N ATOM 0 H GLN A 104 1.829 -4.808 -3.917 1.00 0.14 H new ATOM 0 HA GLN A 104 -0.837 -4.847 -5.165 1.00 0.14 H new ATOM 0 HB2 GLN A 104 0.272 -6.285 -6.467 1.00 0.19 H new ATOM 0 HB3 GLN A 104 1.605 -6.426 -5.338 1.00 0.19 H new ATOM 0 HG2 GLN A 104 0.220 -8.045 -3.994 1.00 0.26 H new ATOM 0 HG3 GLN A 104 -1.008 -7.968 -5.242 1.00 0.26 H new ATOM 0 HE21 GLN A 104 2.266 -9.009 -4.444 1.00 1.38 H new ATOM 0 HE22 GLN A 104 2.470 -10.097 -5.822 1.00 1.38 H new ATOM 245 N VAL A 105 -2.074 -5.750 -3.329 1.00 0.08 N ATOM 246 CA VAL A 105 -2.837 -6.085 -2.157 1.00 0.09 C ATOM 247 C VAL A 105 -3.334 -7.510 -2.198 1.00 0.16 C ATOM 248 O VAL A 105 -3.696 -8.045 -3.245 1.00 0.37 O ATOM 249 CB VAL A 105 -4.017 -5.141 -1.972 1.00 0.08 C ATOM 250 CG1 VAL A 105 -4.870 -5.163 -3.187 1.00 0.13 C ATOM 251 CG2 VAL A 105 -4.832 -5.519 -0.743 1.00 0.11 C ATOM 0 H VAL A 105 -2.623 -5.384 -4.107 1.00 0.08 H new ATOM 0 HA VAL A 105 -2.161 -5.978 -1.308 1.00 0.09 H new ATOM 0 HB VAL A 105 -3.634 -4.132 -1.821 1.00 0.08 H new ATOM 0 HG11 VAL A 105 -5.714 -4.486 -3.052 1.00 0.13 H new ATOM 0 HG12 VAL A 105 -4.284 -4.844 -4.049 1.00 0.13 H new ATOM 0 HG13 VAL A 105 -5.240 -6.175 -3.354 1.00 0.13 H new ATOM 0 HG21 VAL A 105 -5.668 -4.829 -0.635 1.00 0.11 H new ATOM 0 HG22 VAL A 105 -5.212 -6.534 -0.857 1.00 0.11 H new ATOM 0 HG23 VAL A 105 -4.200 -5.465 0.143 1.00 0.11 H new ATOM 261 N ALA A 106 -3.323 -8.090 -1.029 1.00 0.11 N ATOM 262 CA ALA A 106 -3.905 -9.338 -0.739 1.00 0.17 C ATOM 263 C ALA A 106 -5.330 -9.112 -0.328 1.00 0.35 C ATOM 264 O ALA A 106 -5.861 -8.019 -0.397 1.00 0.99 O ATOM 265 CB ALA A 106 -3.114 -10.164 0.266 1.00 0.55 C ATOM 0 H ALA A 106 -2.877 -7.665 -0.216 1.00 0.11 H new ATOM 0 HA ALA A 106 -3.884 -9.951 -1.640 1.00 0.17 H new ATOM 0 HB1 ALA A 106 -3.624 -11.112 0.439 1.00 0.55 H new ATOM 0 HB2 ALA A 106 -2.115 -10.356 -0.126 1.00 0.55 H new ATOM 0 HB3 ALA A 106 -3.036 -9.617 1.205 1.00 0.55 H new ATOM 271 N PHE A 107 -5.925 -10.141 0.105 1.00 0.27 N ATOM 272 CA PHE A 107 -7.218 -10.529 -0.349 1.00 0.33 C ATOM 273 C PHE A 107 -8.319 -9.482 -0.241 1.00 0.24 C ATOM 274 O PHE A 107 -8.768 -9.023 -1.262 1.00 0.46 O ATOM 275 CB PHE A 107 -7.585 -11.637 0.627 1.00 0.48 C ATOM 276 CG PHE A 107 -6.485 -12.642 0.836 1.00 0.63 C ATOM 277 CD1 PHE A 107 -6.387 -13.734 -0.014 1.00 0.96 C ATOM 278 CD2 PHE A 107 -5.572 -12.516 1.868 1.00 0.63 C ATOM 279 CE1 PHE A 107 -5.406 -14.681 0.158 1.00 1.29 C ATOM 280 CE2 PHE A 107 -4.578 -13.463 2.046 1.00 0.90 C ATOM 281 CZ PHE A 107 -4.411 -14.443 1.252 1.00 1.19 C ATOM 0 H PHE A 107 -5.528 -10.766 0.806 1.00 0.27 H new ATOM 0 HA PHE A 107 -7.160 -10.767 -1.411 1.00 0.33 H new ATOM 0 HB2 PHE A 107 -7.847 -11.192 1.587 1.00 0.48 H new ATOM 0 HB3 PHE A 107 -8.473 -12.153 0.261 1.00 0.48 H new ATOM 0 HD1 PHE A 107 -7.093 -13.842 -0.824 1.00 0.96 H new ATOM 0 HD2 PHE A 107 -5.635 -11.673 2.540 1.00 0.63 H new ATOM 0 HE1 PHE A 107 -5.355 -15.559 -0.469 1.00 1.29 H new ATOM 0 HE2 PHE A 107 -3.917 -13.366 2.894 1.00 0.90 H new ATOM 0 HZ PHE A 107 -3.559 -15.097 1.366 1.00 1.19 H new ATOM 291 N SER A 108 -8.693 -9.021 0.926 1.00 0.11 N ATOM 292 CA SER A 108 -9.787 -8.083 0.982 1.00 0.13 C ATOM 293 C SER A 108 -9.517 -6.846 1.802 1.00 0.14 C ATOM 294 O SER A 108 -9.622 -6.886 3.026 1.00 0.22 O ATOM 295 CB SER A 108 -11.097 -8.745 1.352 1.00 0.18 C ATOM 296 OG SER A 108 -10.965 -9.626 2.457 1.00 1.00 O ATOM 0 H SER A 108 -8.274 -9.268 1.822 1.00 0.11 H new ATOM 0 HA SER A 108 -9.885 -7.718 -0.040 1.00 0.13 H new ATOM 0 HB2 SER A 108 -11.834 -7.978 1.588 1.00 0.18 H new ATOM 0 HB3 SER A 108 -11.477 -9.298 0.493 1.00 0.18 H new ATOM 0 HG SER A 108 -11.835 -10.028 2.660 1.00 1.00 H new ATOM 302 N TYR A 109 -9.211 -5.748 1.181 1.00 0.11 N ATOM 303 CA TYR A 109 -9.226 -4.519 1.905 1.00 0.09 C ATOM 304 C TYR A 109 -10.610 -3.909 1.745 1.00 0.11 C ATOM 305 O TYR A 109 -10.945 -3.291 0.747 1.00 0.14 O ATOM 306 CB TYR A 109 -8.132 -3.621 1.358 1.00 0.07 C ATOM 307 CG TYR A 109 -7.728 -2.500 2.263 1.00 0.07 C ATOM 308 CD1 TYR A 109 -7.208 -2.763 3.502 1.00 0.07 C ATOM 309 CD2 TYR A 109 -7.919 -1.178 1.889 1.00 0.07 C ATOM 310 CE1 TYR A 109 -6.893 -1.759 4.360 1.00 0.08 C ATOM 311 CE2 TYR A 109 -7.618 -0.148 2.762 1.00 0.08 C ATOM 312 CZ TYR A 109 -7.106 -0.466 4.009 1.00 0.08 C ATOM 313 OH TYR A 109 -6.857 0.494 4.948 1.00 0.10 O ATOM 0 H TYR A 109 -8.954 -5.679 0.196 1.00 0.11 H new ATOM 0 HA TYR A 109 -9.031 -4.662 2.968 1.00 0.09 H new ATOM 0 HB2 TYR A 109 -7.254 -4.231 1.144 1.00 0.07 H new ATOM 0 HB3 TYR A 109 -8.467 -3.201 0.410 1.00 0.07 H new ATOM 0 HD1 TYR A 109 -7.045 -3.788 3.802 1.00 0.07 H new ATOM 0 HD2 TYR A 109 -8.306 -0.951 0.907 1.00 0.07 H new ATOM 0 HE1 TYR A 109 -6.471 -1.991 5.327 1.00 0.08 H new ATOM 0 HE2 TYR A 109 -7.779 0.881 2.477 1.00 0.08 H new ATOM 0 HH TYR A 109 -6.917 1.380 4.534 1.00 0.10 H new ATOM 323 N LEU A 110 -11.375 -4.147 2.782 1.00 0.14 N ATOM 324 CA LEU A 110 -12.786 -3.724 2.976 1.00 0.18 C ATOM 325 C LEU A 110 -13.087 -2.309 3.576 1.00 0.16 C ATOM 326 O LEU A 110 -14.256 -1.985 3.793 1.00 0.22 O ATOM 327 CB LEU A 110 -13.518 -4.787 3.790 1.00 0.24 C ATOM 328 CG LEU A 110 -12.660 -5.523 4.827 1.00 0.24 C ATOM 329 CD1 LEU A 110 -12.213 -4.588 5.945 1.00 0.27 C ATOM 330 CD2 LEU A 110 -13.418 -6.712 5.394 1.00 0.30 C ATOM 0 H LEU A 110 -11.027 -4.676 3.581 1.00 0.14 H new ATOM 0 HA LEU A 110 -13.148 -3.623 1.953 1.00 0.18 H new ATOM 0 HB2 LEU A 110 -14.355 -4.315 4.304 1.00 0.24 H new ATOM 0 HB3 LEU A 110 -13.939 -5.521 3.103 1.00 0.24 H new ATOM 0 HG LEU A 110 -11.765 -5.887 4.323 1.00 0.24 H new ATOM 0 HD11 LEU A 110 -11.607 -5.142 6.662 1.00 0.27 H new ATOM 0 HD12 LEU A 110 -11.623 -3.774 5.524 1.00 0.27 H new ATOM 0 HD13 LEU A 110 -13.089 -4.179 6.449 1.00 0.27 H new ATOM 0 HD21 LEU A 110 -12.796 -7.224 6.128 1.00 0.30 H new ATOM 0 HD22 LEU A 110 -14.334 -6.365 5.873 1.00 0.30 H new ATOM 0 HD23 LEU A 110 -13.669 -7.401 4.588 1.00 0.30 H new ATOM 342 N PRO A 111 -12.093 -1.455 3.819 1.00 0.12 N ATOM 343 CA PRO A 111 -12.047 -0.497 4.958 1.00 0.23 C ATOM 344 C PRO A 111 -12.825 0.774 4.827 1.00 0.33 C ATOM 345 O PRO A 111 -12.563 1.738 5.550 1.00 0.58 O ATOM 346 CB PRO A 111 -10.585 -0.137 4.984 1.00 0.23 C ATOM 347 CG PRO A 111 -10.298 -0.046 3.551 1.00 0.48 C ATOM 348 CD PRO A 111 -10.975 -1.211 2.925 1.00 0.08 C ATOM 0 HA PRO A 111 -12.489 -0.966 5.837 1.00 0.23 H new ATOM 0 HB2 PRO A 111 -10.400 0.804 5.503 1.00 0.23 H new ATOM 0 HB3 PRO A 111 -9.981 -0.898 5.479 1.00 0.23 H new ATOM 0 HG2 PRO A 111 -10.670 0.891 3.137 1.00 0.48 H new ATOM 0 HG3 PRO A 111 -9.224 -0.072 3.365 1.00 0.48 H new ATOM 0 HD2 PRO A 111 -11.309 -0.988 1.912 1.00 0.08 H new ATOM 0 HD3 PRO A 111 -10.314 -2.075 2.859 1.00 0.08 H new ATOM 356 N GLN A 112 -13.763 0.814 3.959 1.00 0.25 N ATOM 357 CA GLN A 112 -14.282 2.094 3.600 1.00 0.68 C ATOM 358 C GLN A 112 -15.385 2.505 4.537 1.00 0.99 C ATOM 359 O GLN A 112 -16.415 1.841 4.644 1.00 1.08 O ATOM 360 CB GLN A 112 -14.850 2.022 2.245 1.00 0.82 C ATOM 361 CG GLN A 112 -13.830 1.988 1.160 1.00 1.13 C ATOM 362 CD GLN A 112 -13.957 0.747 0.320 1.00 1.28 C ATOM 363 OE1 GLN A 112 -13.843 0.796 -0.902 1.00 1.78 O ATOM 364 NE2 GLN A 112 -14.120 -0.388 0.990 1.00 1.06 N ATOM 0 H GLN A 112 -14.182 0.010 3.492 1.00 0.25 H new ATOM 0 HA GLN A 112 -13.469 2.818 3.650 1.00 0.68 H new ATOM 0 HB2 GLN A 112 -15.474 1.131 2.171 1.00 0.82 H new ATOM 0 HB3 GLN A 112 -15.502 2.882 2.090 1.00 0.82 H new ATOM 0 HG2 GLN A 112 -13.941 2.869 0.528 1.00 1.13 H new ATOM 0 HG3 GLN A 112 -12.832 2.032 1.596 1.00 1.13 H new ATOM 0 HE21 GLN A 112 -14.210 -0.372 2.006 1.00 1.06 H new ATOM 0 HE22 GLN A 112 -14.156 -1.276 0.489 1.00 1.06 H new ATOM 373 N ASN A 113 -15.153 3.596 5.224 1.00 1.79 N ATOM 374 CA ASN A 113 -16.218 4.321 5.872 1.00 2.36 C ATOM 375 C ASN A 113 -16.422 5.701 5.268 1.00 1.79 C ATOM 376 O ASN A 113 -17.535 6.094 4.925 1.00 2.01 O ATOM 377 CB ASN A 113 -15.946 4.449 7.360 1.00 3.46 C ATOM 378 CG ASN A 113 -16.087 3.145 8.092 1.00 4.13 C ATOM 379 OD1 ASN A 113 -17.159 2.791 8.581 1.00 4.82 O ATOM 380 ND2 ASN A 113 -14.994 2.420 8.160 1.00 4.06 N ATOM 0 H ASN A 113 -14.227 4.005 5.350 1.00 1.79 H new ATOM 0 HA ASN A 113 -17.133 3.749 5.716 1.00 2.36 H new ATOM 0 HB2 ASN A 113 -14.938 4.837 7.508 1.00 3.46 H new ATOM 0 HB3 ASN A 113 -16.634 5.177 7.789 1.00 3.46 H new ATOM 0 HD21 ASN A 113 -15.009 1.518 8.635 1.00 4.06 H new ATOM 0 HD22 ASN A 113 -14.130 2.759 7.738 1.00 4.06 H new ATOM 387 N ASP A 114 -15.316 6.416 5.107 1.00 1.46 N ATOM 388 CA ASP A 114 -15.370 7.819 4.727 1.00 1.27 C ATOM 389 C ASP A 114 -14.993 8.058 3.288 1.00 0.89 C ATOM 390 O ASP A 114 -15.613 8.860 2.593 1.00 1.31 O ATOM 391 CB ASP A 114 -14.370 8.572 5.581 1.00 2.06 C ATOM 392 CG ASP A 114 -14.599 10.070 5.591 1.00 2.66 C ATOM 393 OD1 ASP A 114 -14.098 10.756 4.678 1.00 3.02 O ATOM 394 OD2 ASP A 114 -15.296 10.564 6.501 1.00 3.13 O ATOM 0 H ASP A 114 -14.373 6.047 5.234 1.00 1.46 H new ATOM 0 HA ASP A 114 -16.398 8.154 4.868 1.00 1.27 H new ATOM 0 HB2 ASP A 114 -14.420 8.197 6.603 1.00 2.06 H new ATOM 0 HB3 ASP A 114 -13.364 8.368 5.215 1.00 2.06 H new ATOM 399 N ASP A 115 -14.007 7.304 2.859 1.00 0.74 N ATOM 400 CA ASP A 115 -13.406 7.439 1.555 1.00 1.19 C ATOM 401 C ASP A 115 -12.117 6.641 1.514 1.00 0.75 C ATOM 402 O ASP A 115 -11.016 7.189 1.520 1.00 0.66 O ATOM 403 CB ASP A 115 -13.094 8.883 1.263 1.00 2.24 C ATOM 404 CG ASP A 115 -12.449 9.103 -0.098 1.00 3.05 C ATOM 405 OD1 ASP A 115 -12.947 8.550 -1.107 1.00 3.73 O ATOM 406 OD2 ASP A 115 -11.437 9.832 -0.164 1.00 3.32 O ATOM 0 H ASP A 115 -13.592 6.562 3.422 1.00 0.74 H new ATOM 0 HA ASP A 115 -14.107 7.068 0.807 1.00 1.19 H new ATOM 0 HB2 ASP A 115 -14.015 9.463 1.318 1.00 2.24 H new ATOM 0 HB3 ASP A 115 -12.429 9.266 2.037 1.00 2.24 H new ATOM 411 N GLU A 116 -12.264 5.347 1.538 1.00 0.56 N ATOM 412 CA GLU A 116 -11.141 4.458 1.407 1.00 0.31 C ATOM 413 C GLU A 116 -11.291 3.656 0.134 1.00 0.26 C ATOM 414 O GLU A 116 -12.308 3.732 -0.556 1.00 0.46 O ATOM 415 CB GLU A 116 -11.052 3.504 2.598 1.00 0.48 C ATOM 416 CG GLU A 116 -10.924 4.194 3.944 1.00 0.62 C ATOM 417 CD GLU A 116 -9.673 5.042 4.046 1.00 1.28 C ATOM 418 OE1 GLU A 116 -8.568 4.506 3.835 1.00 1.85 O ATOM 419 OE2 GLU A 116 -9.795 6.247 4.353 1.00 2.06 O ATOM 0 H GLU A 116 -13.163 4.878 1.649 1.00 0.56 H new ATOM 0 HA GLU A 116 -10.229 5.054 1.376 1.00 0.31 H new ATOM 0 HB2 GLU A 116 -11.940 2.873 2.610 1.00 0.48 H new ATOM 0 HB3 GLU A 116 -10.195 2.846 2.458 1.00 0.48 H new ATOM 0 HG2 GLU A 116 -11.799 4.822 4.111 1.00 0.62 H new ATOM 0 HG3 GLU A 116 -10.915 3.443 4.734 1.00 0.62 H new ATOM 426 N LEU A 117 -10.255 2.937 -0.187 1.00 0.10 N ATOM 427 CA LEU A 117 -10.230 2.057 -1.288 1.00 0.08 C ATOM 428 C LEU A 117 -10.519 0.641 -0.825 1.00 0.07 C ATOM 429 O LEU A 117 -10.284 0.286 0.326 1.00 0.09 O ATOM 430 CB LEU A 117 -8.867 2.159 -1.971 1.00 0.07 C ATOM 431 CG LEU A 117 -7.685 1.549 -1.254 1.00 0.07 C ATOM 432 CD1 LEU A 117 -6.408 1.849 -2.024 1.00 0.10 C ATOM 433 CD2 LEU A 117 -7.530 2.014 0.183 1.00 0.09 C ATOM 0 H LEU A 117 -9.380 2.958 0.338 1.00 0.10 H new ATOM 0 HA LEU A 117 -11.001 2.330 -2.009 1.00 0.08 H new ATOM 0 HB2 LEU A 117 -8.945 1.690 -2.952 1.00 0.07 H new ATOM 0 HB3 LEU A 117 -8.652 3.214 -2.139 1.00 0.07 H new ATOM 0 HG LEU A 117 -7.874 0.476 -1.213 1.00 0.07 H new ATOM 0 HD11 LEU A 117 -5.558 1.408 -1.504 1.00 0.10 H new ATOM 0 HD12 LEU A 117 -6.480 1.427 -3.026 1.00 0.10 H new ATOM 0 HD13 LEU A 117 -6.270 2.928 -2.094 1.00 0.10 H new ATOM 0 HD21 LEU A 117 -6.660 1.532 0.630 1.00 0.09 H new ATOM 0 HD22 LEU A 117 -7.396 3.096 0.203 1.00 0.09 H new ATOM 0 HD23 LEU A 117 -8.423 1.749 0.750 1.00 0.09 H new ATOM 445 N GLU A 118 -11.026 -0.149 -1.730 1.00 0.08 N ATOM 446 CA GLU A 118 -11.321 -1.518 -1.480 1.00 0.08 C ATOM 447 C GLU A 118 -10.559 -2.358 -2.448 1.00 0.07 C ATOM 448 O GLU A 118 -10.742 -2.290 -3.657 1.00 0.09 O ATOM 449 CB GLU A 118 -12.789 -1.788 -1.647 1.00 0.12 C ATOM 450 CG GLU A 118 -13.220 -3.160 -1.151 1.00 0.20 C ATOM 451 CD GLU A 118 -14.720 -3.307 -1.060 1.00 0.43 C ATOM 452 OE1 GLU A 118 -15.338 -2.668 -0.186 1.00 0.91 O ATOM 453 OE2 GLU A 118 -15.292 -4.053 -1.878 1.00 0.53 O ATOM 0 H GLU A 118 -11.247 0.154 -2.678 1.00 0.08 H new ATOM 0 HA GLU A 118 -11.037 -1.758 -0.455 1.00 0.08 H new ATOM 0 HB2 GLU A 118 -13.353 -1.024 -1.111 1.00 0.12 H new ATOM 0 HB3 GLU A 118 -13.049 -1.695 -2.702 1.00 0.12 H new ATOM 0 HG2 GLU A 118 -12.825 -3.924 -1.821 1.00 0.20 H new ATOM 0 HG3 GLU A 118 -12.782 -3.340 -0.169 1.00 0.20 H new ATOM 460 N LEU A 119 -9.738 -3.154 -1.885 1.00 0.06 N ATOM 461 CA LEU A 119 -8.875 -4.037 -2.631 1.00 0.06 C ATOM 462 C LEU A 119 -9.402 -5.462 -2.498 1.00 0.08 C ATOM 463 O LEU A 119 -9.173 -6.132 -1.495 1.00 0.09 O ATOM 464 CB LEU A 119 -7.470 -3.869 -2.103 1.00 0.05 C ATOM 465 CG LEU A 119 -7.237 -2.568 -1.301 1.00 0.06 C ATOM 466 CD1 LEU A 119 -5.944 -2.633 -0.515 1.00 0.09 C ATOM 467 CD2 LEU A 119 -7.193 -1.377 -2.219 1.00 0.07 C ATOM 0 H LEU A 119 -9.630 -3.227 -0.873 1.00 0.06 H new ATOM 0 HA LEU A 119 -8.860 -3.802 -3.695 1.00 0.06 H new ATOM 0 HB2 LEU A 119 -7.230 -4.721 -1.467 1.00 0.05 H new ATOM 0 HB3 LEU A 119 -6.775 -3.893 -2.942 1.00 0.05 H new ATOM 0 HG LEU A 119 -8.071 -2.462 -0.607 1.00 0.06 H new ATOM 0 HD11 LEU A 119 -5.808 -1.704 0.039 1.00 0.09 H new ATOM 0 HD12 LEU A 119 -5.984 -3.469 0.183 1.00 0.09 H new ATOM 0 HD13 LEU A 119 -5.108 -2.773 -1.200 1.00 0.09 H new ATOM 0 HD21 LEU A 119 -7.028 -0.472 -1.634 1.00 0.07 H new ATOM 0 HD22 LEU A 119 -6.380 -1.499 -2.935 1.00 0.07 H new ATOM 0 HD23 LEU A 119 -8.139 -1.295 -2.755 1.00 0.07 H new ATOM 479 N LYS A 120 -10.123 -5.897 -3.526 1.00 0.10 N ATOM 480 CA LYS A 120 -11.103 -6.981 -3.384 1.00 0.12 C ATOM 481 C LYS A 120 -10.517 -8.382 -3.292 1.00 0.13 C ATOM 482 O LYS A 120 -10.942 -9.148 -2.431 1.00 0.18 O ATOM 483 CB LYS A 120 -12.092 -6.961 -4.556 1.00 0.17 C ATOM 484 CG LYS A 120 -13.177 -5.888 -4.497 1.00 0.20 C ATOM 485 CD LYS A 120 -12.624 -4.472 -4.556 1.00 0.18 C ATOM 486 CE LYS A 120 -11.709 -4.252 -5.756 1.00 0.19 C ATOM 487 NZ LYS A 120 -12.365 -4.579 -7.046 1.00 0.25 N ATOM 0 H LYS A 120 -10.051 -5.518 -4.470 1.00 0.10 H new ATOM 0 HA LYS A 120 -11.589 -6.779 -2.430 1.00 0.12 H new ATOM 0 HB2 LYS A 120 -11.528 -6.829 -5.479 1.00 0.17 H new ATOM 0 HB3 LYS A 120 -12.576 -7.936 -4.614 1.00 0.17 H new ATOM 0 HG2 LYS A 120 -13.870 -6.035 -5.325 1.00 0.20 H new ATOM 0 HG3 LYS A 120 -13.749 -6.010 -3.577 1.00 0.20 H new ATOM 0 HD2 LYS A 120 -13.451 -3.764 -4.599 1.00 0.18 H new ATOM 0 HD3 LYS A 120 -12.073 -4.262 -3.639 1.00 0.18 H new ATOM 0 HE2 LYS A 120 -11.383 -3.212 -5.773 1.00 0.19 H new ATOM 0 HE3 LYS A 120 -10.815 -4.865 -5.643 1.00 0.19 H new ATOM 0 HZ1 LYS A 120 -11.736 -4.316 -7.832 1.00 0.25 H new ATOM 0 HZ2 LYS A 120 -12.562 -5.599 -7.087 1.00 0.25 H new ATOM 0 HZ3 LYS A 120 -13.257 -4.051 -7.125 1.00 0.25 H new ATOM 501 N VAL A 121 -9.656 -8.779 -4.234 1.00 0.13 N ATOM 502 CA VAL A 121 -8.985 -10.066 -4.130 1.00 0.19 C ATOM 503 C VAL A 121 -7.465 -10.004 -4.299 1.00 0.17 C ATOM 504 O VAL A 121 -6.741 -10.943 -3.963 1.00 0.24 O ATOM 505 CB VAL A 121 -9.586 -11.030 -5.161 1.00 0.28 C ATOM 506 CG1 VAL A 121 -8.827 -12.348 -5.225 1.00 0.38 C ATOM 507 CG2 VAL A 121 -11.059 -11.281 -4.876 1.00 0.32 C ATOM 0 H VAL A 121 -9.414 -8.234 -5.062 1.00 0.13 H new ATOM 0 HA VAL A 121 -9.152 -10.419 -3.112 1.00 0.19 H new ATOM 0 HB VAL A 121 -9.493 -10.550 -6.135 1.00 0.28 H new ATOM 0 HG11 VAL A 121 -9.289 -12.998 -5.968 1.00 0.38 H new ATOM 0 HG12 VAL A 121 -7.790 -12.158 -5.503 1.00 0.38 H new ATOM 0 HG13 VAL A 121 -8.858 -12.833 -4.249 1.00 0.38 H new ATOM 0 HG21 VAL A 121 -11.462 -11.967 -5.621 1.00 0.32 H new ATOM 0 HG22 VAL A 121 -11.168 -11.718 -3.883 1.00 0.32 H new ATOM 0 HG23 VAL A 121 -11.604 -10.338 -4.919 1.00 0.32 H new ATOM 517 N GLY A 122 -6.976 -8.890 -4.764 1.00 0.09 N ATOM 518 CA GLY A 122 -5.605 -8.833 -5.211 1.00 0.09 C ATOM 519 C GLY A 122 -5.403 -7.760 -6.231 1.00 0.09 C ATOM 520 O GLY A 122 -5.267 -7.990 -7.435 1.00 0.12 O ATOM 0 H GLY A 122 -7.495 -8.016 -4.845 1.00 0.09 H new ATOM 0 HA2 GLY A 122 -4.951 -8.653 -4.358 1.00 0.09 H new ATOM 0 HA3 GLY A 122 -5.319 -9.796 -5.634 1.00 0.09 H new ATOM 524 N ASP A 123 -5.430 -6.599 -5.698 1.00 0.07 N ATOM 525 CA ASP A 123 -5.393 -5.353 -6.432 1.00 0.07 C ATOM 526 C ASP A 123 -4.002 -4.765 -6.407 1.00 0.07 C ATOM 527 O ASP A 123 -3.199 -5.111 -5.555 1.00 0.08 O ATOM 528 CB ASP A 123 -6.401 -4.383 -5.838 1.00 0.07 C ATOM 529 CG ASP A 123 -7.774 -4.535 -6.467 1.00 0.12 C ATOM 530 OD1 ASP A 123 -7.979 -4.022 -7.586 1.00 0.17 O ATOM 531 OD2 ASP A 123 -8.649 -5.184 -5.852 1.00 0.20 O ATOM 0 H ASP A 123 -5.481 -6.464 -4.688 1.00 0.07 H new ATOM 0 HA ASP A 123 -5.657 -5.542 -7.473 1.00 0.07 H new ATOM 0 HB2 ASP A 123 -6.474 -4.549 -4.763 1.00 0.07 H new ATOM 0 HB3 ASP A 123 -6.048 -3.361 -5.980 1.00 0.07 H new ATOM 536 N ILE A 124 -3.674 -3.925 -7.348 1.00 0.09 N ATOM 537 CA ILE A 124 -2.466 -3.179 -7.211 1.00 0.10 C ATOM 538 C ILE A 124 -2.784 -1.732 -6.942 1.00 0.09 C ATOM 539 O ILE A 124 -3.703 -1.142 -7.509 1.00 0.12 O ATOM 540 CB ILE A 124 -1.546 -3.317 -8.402 1.00 0.16 C ATOM 541 CG1 ILE A 124 -1.169 -4.780 -8.534 1.00 0.17 C ATOM 542 CG2 ILE A 124 -0.299 -2.451 -8.248 1.00 0.27 C ATOM 543 CD1 ILE A 124 -0.241 -5.071 -9.680 1.00 0.23 C ATOM 0 H ILE A 124 -4.213 -3.746 -8.195 1.00 0.09 H new ATOM 0 HA ILE A 124 -1.925 -3.596 -6.362 1.00 0.10 H new ATOM 0 HB ILE A 124 -2.058 -2.974 -9.301 1.00 0.16 H new ATOM 0 HG12 ILE A 124 -0.699 -5.109 -7.607 1.00 0.17 H new ATOM 0 HG13 ILE A 124 -2.078 -5.369 -8.657 1.00 0.17 H new ATOM 0 HG21 ILE A 124 0.340 -2.575 -9.122 1.00 0.27 H new ATOM 0 HG22 ILE A 124 -0.591 -1.405 -8.157 1.00 0.27 H new ATOM 0 HG23 ILE A 124 0.246 -2.754 -7.354 1.00 0.27 H new ATOM 0 HD11 ILE A 124 -0.019 -6.138 -9.707 1.00 0.23 H new ATOM 0 HD12 ILE A 124 -0.715 -4.775 -10.616 1.00 0.23 H new ATOM 0 HD13 ILE A 124 0.685 -4.511 -9.550 1.00 0.23 H new ATOM 555 N ILE A 125 -2.015 -1.214 -6.044 1.00 0.08 N ATOM 556 CA ILE A 125 -2.148 0.066 -5.497 1.00 0.08 C ATOM 557 C ILE A 125 -0.912 0.801 -5.855 1.00 0.07 C ATOM 558 O ILE A 125 0.094 0.213 -6.204 1.00 0.09 O ATOM 559 CB ILE A 125 -2.263 0.045 -3.974 1.00 0.08 C ATOM 560 CG1 ILE A 125 -3.037 -1.178 -3.521 1.00 0.09 C ATOM 561 CG2 ILE A 125 -2.955 1.317 -3.505 1.00 0.09 C ATOM 562 CD1 ILE A 125 -4.488 -1.150 -3.920 1.00 0.09 C ATOM 0 H ILE A 125 -1.223 -1.724 -5.654 1.00 0.08 H new ATOM 0 HA ILE A 125 -3.057 0.527 -5.885 1.00 0.08 H new ATOM 0 HB ILE A 125 -1.266 -0.003 -3.537 1.00 0.08 H new ATOM 0 HG12 ILE A 125 -2.570 -2.070 -3.940 1.00 0.09 H new ATOM 0 HG13 ILE A 125 -2.968 -1.261 -2.436 1.00 0.09 H new ATOM 0 HG21 ILE A 125 -3.039 1.306 -2.418 1.00 0.09 H new ATOM 0 HG22 ILE A 125 -2.372 2.184 -3.815 1.00 0.09 H new ATOM 0 HG23 ILE A 125 -3.950 1.373 -3.945 1.00 0.09 H new ATOM 0 HD11 ILE A 125 -4.981 -2.055 -3.564 1.00 0.09 H new ATOM 0 HD12 ILE A 125 -4.970 -0.277 -3.480 1.00 0.09 H new ATOM 0 HD13 ILE A 125 -4.566 -1.098 -5.006 1.00 0.09 H new ATOM 574 N GLU A 126 -1.024 2.052 -5.788 1.00 0.07 N ATOM 575 CA GLU A 126 0.109 2.951 -5.860 1.00 0.08 C ATOM 576 C GLU A 126 -0.176 4.031 -4.878 1.00 0.07 C ATOM 577 O GLU A 126 -0.909 4.970 -5.196 1.00 0.08 O ATOM 578 CB GLU A 126 0.303 3.570 -7.244 1.00 0.15 C ATOM 579 CG GLU A 126 0.168 2.602 -8.408 1.00 0.74 C ATOM 580 CD GLU A 126 -1.171 2.717 -9.106 1.00 1.19 C ATOM 581 OE1 GLU A 126 -1.471 3.807 -9.642 1.00 1.41 O ATOM 582 OE2 GLU A 126 -1.928 1.722 -9.131 1.00 1.87 O ATOM 0 H GLU A 126 -1.919 2.528 -5.678 1.00 0.07 H new ATOM 0 HA GLU A 126 1.025 2.399 -5.649 1.00 0.08 H new ATOM 0 HB2 GLU A 126 -0.425 4.371 -7.372 1.00 0.15 H new ATOM 0 HB3 GLU A 126 1.291 4.028 -7.285 1.00 0.15 H new ATOM 0 HG2 GLU A 126 0.966 2.789 -9.127 1.00 0.74 H new ATOM 0 HG3 GLU A 126 0.299 1.582 -8.045 1.00 0.74 H new ATOM 589 N VAL A 127 0.307 3.913 -3.653 1.00 0.06 N ATOM 590 CA VAL A 127 -0.275 4.719 -2.703 1.00 0.07 C ATOM 591 C VAL A 127 0.531 5.945 -2.376 1.00 0.09 C ATOM 592 O VAL A 127 0.700 6.846 -3.190 1.00 0.13 O ATOM 593 CB VAL A 127 -0.306 3.786 -1.430 1.00 0.07 C ATOM 594 CG1 VAL A 127 -1.482 2.849 -1.377 1.00 0.09 C ATOM 595 CG2 VAL A 127 0.958 2.925 -1.352 1.00 0.07 C ATOM 0 H VAL A 127 1.057 3.294 -3.345 1.00 0.06 H new ATOM 0 HA VAL A 127 -1.241 5.091 -3.045 1.00 0.07 H new ATOM 0 HB VAL A 127 -0.380 4.478 -0.591 1.00 0.07 H new ATOM 0 HG11 VAL A 127 -1.426 2.245 -0.471 1.00 0.09 H new ATOM 0 HG12 VAL A 127 -2.407 3.426 -1.372 1.00 0.09 H new ATOM 0 HG13 VAL A 127 -1.467 2.196 -2.250 1.00 0.09 H new ATOM 0 HG21 VAL A 127 0.912 2.291 -0.466 1.00 0.07 H new ATOM 0 HG22 VAL A 127 1.028 2.300 -2.242 1.00 0.07 H new ATOM 0 HG23 VAL A 127 1.835 3.570 -1.292 1.00 0.07 H new ATOM 605 N VAL A 128 1.208 5.816 -1.317 1.00 0.09 N ATOM 606 CA VAL A 128 2.108 6.787 -0.840 1.00 0.12 C ATOM 607 C VAL A 128 3.393 6.113 -0.529 1.00 0.15 C ATOM 608 O VAL A 128 4.445 6.708 -0.300 1.00 0.20 O ATOM 609 CB VAL A 128 1.471 7.425 0.389 1.00 0.14 C ATOM 610 CG1 VAL A 128 1.332 6.404 1.492 1.00 0.12 C ATOM 611 CG2 VAL A 128 2.222 8.622 0.857 1.00 0.26 C ATOM 0 H VAL A 128 1.152 4.989 -0.722 1.00 0.09 H new ATOM 0 HA VAL A 128 2.315 7.570 -1.570 1.00 0.12 H new ATOM 0 HB VAL A 128 0.478 7.773 0.103 1.00 0.14 H new ATOM 0 HG11 VAL A 128 0.876 6.871 2.365 1.00 0.12 H new ATOM 0 HG12 VAL A 128 0.703 5.582 1.150 1.00 0.12 H new ATOM 0 HG13 VAL A 128 2.317 6.020 1.759 1.00 0.12 H new ATOM 0 HG21 VAL A 128 1.729 9.041 1.734 1.00 0.26 H new ATOM 0 HG22 VAL A 128 3.241 8.334 1.116 1.00 0.26 H new ATOM 0 HG23 VAL A 128 2.247 9.369 0.064 1.00 0.26 H new ATOM 621 N GLY A 129 3.259 4.826 -0.577 1.00 0.15 N ATOM 622 CA GLY A 129 4.293 3.965 -0.134 1.00 0.19 C ATOM 623 C GLY A 129 4.422 3.960 1.354 1.00 0.19 C ATOM 624 O GLY A 129 3.537 4.415 2.072 1.00 0.17 O ATOM 0 H GLY A 129 2.428 4.349 -0.925 1.00 0.15 H new ATOM 0 HA2 GLY A 129 4.095 2.952 -0.484 1.00 0.19 H new ATOM 0 HA3 GLY A 129 5.238 4.276 -0.578 1.00 0.19 H new ATOM 628 N GLU A 130 5.540 3.445 1.790 1.00 0.28 N ATOM 629 CA GLU A 130 5.841 3.187 3.205 1.00 0.35 C ATOM 630 C GLU A 130 5.836 4.429 4.078 1.00 0.35 C ATOM 631 O GLU A 130 6.261 4.392 5.224 1.00 0.41 O ATOM 632 CB GLU A 130 7.131 2.386 3.387 1.00 0.50 C ATOM 633 CG GLU A 130 7.217 1.713 4.750 1.00 1.38 C ATOM 634 CD GLU A 130 8.558 1.081 5.029 1.00 2.38 C ATOM 635 OE1 GLU A 130 9.553 1.816 5.150 1.00 3.03 O ATOM 636 OE2 GLU A 130 8.620 -0.158 5.157 1.00 3.01 O ATOM 0 H GLU A 130 6.301 3.179 1.165 1.00 0.28 H new ATOM 0 HA GLU A 130 5.011 2.573 3.556 1.00 0.35 H new ATOM 0 HB2 GLU A 130 7.196 1.627 2.607 1.00 0.50 H new ATOM 0 HB3 GLU A 130 7.987 3.049 3.259 1.00 0.50 H new ATOM 0 HG2 GLU A 130 7.004 2.451 5.524 1.00 1.38 H new ATOM 0 HG3 GLU A 130 6.443 0.948 4.818 1.00 1.38 H new ATOM 643 N VAL A 131 5.442 5.525 3.495 1.00 0.30 N ATOM 644 CA VAL A 131 5.452 6.822 4.178 1.00 0.34 C ATOM 645 C VAL A 131 4.721 6.723 5.502 1.00 0.32 C ATOM 646 O VAL A 131 5.068 7.375 6.490 1.00 0.39 O ATOM 647 CB VAL A 131 4.801 7.920 3.322 1.00 0.35 C ATOM 648 CG1 VAL A 131 4.635 9.215 4.106 1.00 0.41 C ATOM 649 CG2 VAL A 131 5.619 8.172 2.072 1.00 0.37 C ATOM 0 H VAL A 131 5.102 5.563 2.534 1.00 0.30 H new ATOM 0 HA VAL A 131 6.494 7.091 4.349 1.00 0.34 H new ATOM 0 HB VAL A 131 3.809 7.569 3.036 1.00 0.35 H new ATOM 0 HG11 VAL A 131 4.172 9.969 3.469 1.00 0.41 H new ATOM 0 HG12 VAL A 131 4.002 9.036 4.975 1.00 0.41 H new ATOM 0 HG13 VAL A 131 5.612 9.569 4.435 1.00 0.41 H new ATOM 0 HG21 VAL A 131 5.144 8.952 1.477 1.00 0.37 H new ATOM 0 HG22 VAL A 131 6.623 8.490 2.352 1.00 0.37 H new ATOM 0 HG23 VAL A 131 5.679 7.255 1.486 1.00 0.37 H new ATOM 659 N GLU A 132 3.744 5.851 5.514 1.00 0.24 N ATOM 660 CA GLU A 132 2.976 5.574 6.714 1.00 0.22 C ATOM 661 C GLU A 132 3.638 4.490 7.525 1.00 0.23 C ATOM 662 O GLU A 132 3.000 3.695 8.187 1.00 0.23 O ATOM 663 CB GLU A 132 1.559 5.244 6.396 1.00 0.19 C ATOM 664 CG GLU A 132 1.053 5.937 5.143 1.00 0.19 C ATOM 665 CD GLU A 132 0.977 7.440 5.337 1.00 0.26 C ATOM 666 OE1 GLU A 132 0.407 7.876 6.360 1.00 0.34 O ATOM 667 OE2 GLU A 132 1.493 8.190 4.485 1.00 0.33 O ATOM 0 H GLU A 132 3.455 5.312 4.698 1.00 0.24 H new ATOM 0 HA GLU A 132 2.956 6.480 7.320 1.00 0.22 H new ATOM 0 HB2 GLU A 132 1.462 4.165 6.272 1.00 0.19 H new ATOM 0 HB3 GLU A 132 0.929 5.525 7.239 1.00 0.19 H new ATOM 0 HG2 GLU A 132 1.714 5.709 4.307 1.00 0.19 H new ATOM 0 HG3 GLU A 132 0.067 5.551 4.884 1.00 0.19 H new ATOM 674 N GLU A 133 4.943 4.611 7.545 1.00 0.32 N ATOM 675 CA GLU A 133 5.891 3.657 8.066 1.00 0.38 C ATOM 676 C GLU A 133 5.305 2.287 8.399 1.00 0.26 C ATOM 677 O GLU A 133 5.073 1.941 9.560 1.00 0.28 O ATOM 678 CB GLU A 133 6.585 4.309 9.230 1.00 0.55 C ATOM 679 CG GLU A 133 5.653 4.907 10.265 1.00 0.86 C ATOM 680 CD GLU A 133 6.387 5.745 11.285 1.00 1.14 C ATOM 681 OE1 GLU A 133 6.768 6.890 10.957 1.00 1.50 O ATOM 682 OE2 GLU A 133 6.593 5.261 12.416 1.00 1.14 O ATOM 0 H GLU A 133 5.404 5.440 7.170 1.00 0.32 H new ATOM 0 HA GLU A 133 6.610 3.412 7.284 1.00 0.38 H new ATOM 0 HB2 GLU A 133 7.222 3.570 9.717 1.00 0.55 H new ATOM 0 HB3 GLU A 133 7.240 5.095 8.852 1.00 0.55 H new ATOM 0 HG2 GLU A 133 4.905 5.522 9.764 1.00 0.86 H new ATOM 0 HG3 GLU A 133 5.118 4.106 10.774 1.00 0.86 H new ATOM 689 N GLY A 134 5.113 1.502 7.347 1.00 0.24 N ATOM 690 CA GLY A 134 4.513 0.201 7.465 1.00 0.23 C ATOM 691 C GLY A 134 3.086 0.228 6.997 1.00 0.19 C ATOM 692 O GLY A 134 2.422 -0.799 6.863 1.00 0.26 O ATOM 0 H GLY A 134 5.372 1.758 6.394 1.00 0.24 H new ATOM 0 HA2 GLY A 134 5.080 -0.521 6.877 1.00 0.23 H new ATOM 0 HA3 GLY A 134 4.554 -0.131 8.502 1.00 0.23 H new ATOM 696 N TRP A 135 2.635 1.435 6.748 1.00 0.14 N ATOM 697 CA TRP A 135 1.300 1.703 6.273 1.00 0.11 C ATOM 698 C TRP A 135 1.426 2.508 5.017 1.00 0.09 C ATOM 699 O TRP A 135 2.440 3.172 4.801 1.00 0.12 O ATOM 700 CB TRP A 135 0.457 2.479 7.297 1.00 0.14 C ATOM 701 CG TRP A 135 0.511 1.989 8.722 1.00 0.19 C ATOM 702 CD1 TRP A 135 1.594 1.501 9.391 1.00 0.25 C ATOM 703 CD2 TRP A 135 -0.560 1.996 9.677 1.00 0.21 C ATOM 704 NE1 TRP A 135 1.268 1.193 10.659 1.00 0.29 N ATOM 705 CE2 TRP A 135 -0.041 1.479 10.872 1.00 0.27 C ATOM 706 CE3 TRP A 135 -1.904 2.376 9.642 1.00 0.24 C ATOM 707 CZ2 TRP A 135 -0.796 1.330 12.019 1.00 0.31 C ATOM 708 CZ3 TRP A 135 -2.666 2.230 10.790 1.00 0.30 C ATOM 709 CH2 TRP A 135 -2.110 1.709 11.965 1.00 0.32 C ATOM 0 H TRP A 135 3.199 2.276 6.873 1.00 0.14 H new ATOM 0 HA TRP A 135 0.790 0.755 6.100 1.00 0.11 H new ATOM 0 HB2 TRP A 135 0.776 3.521 7.282 1.00 0.14 H new ATOM 0 HB3 TRP A 135 -0.582 2.459 6.969 1.00 0.14 H new ATOM 0 HD1 TRP A 135 2.578 1.379 8.962 1.00 0.25 H new ATOM 0 HE1 TRP A 135 1.906 0.804 11.353 1.00 0.29 H new ATOM 0 HE3 TRP A 135 -2.340 2.775 8.738 1.00 0.24 H new ATOM 0 HZ2 TRP A 135 -0.365 0.929 12.925 1.00 0.31 H new ATOM 0 HZ3 TRP A 135 -3.706 2.523 10.778 1.00 0.30 H new ATOM 0 HH2 TRP A 135 -2.729 1.604 12.844 1.00 0.32 H new ATOM 720 N TRP A 136 0.427 2.421 4.179 1.00 0.07 N ATOM 721 CA TRP A 136 0.426 3.040 2.924 1.00 0.06 C ATOM 722 C TRP A 136 -0.911 3.669 2.701 1.00 0.06 C ATOM 723 O TRP A 136 -1.895 3.339 3.333 1.00 0.09 O ATOM 724 CB TRP A 136 0.682 2.015 1.843 1.00 0.07 C ATOM 725 CG TRP A 136 1.851 1.173 2.182 1.00 0.07 C ATOM 726 CD1 TRP A 136 2.995 1.653 2.664 1.00 0.12 C ATOM 727 CD2 TRP A 136 2.009 -0.235 2.104 1.00 0.08 C ATOM 728 NE1 TRP A 136 3.876 0.659 2.912 1.00 0.14 N ATOM 729 CE2 TRP A 136 3.308 -0.517 2.556 1.00 0.11 C ATOM 730 CE3 TRP A 136 1.202 -1.283 1.701 1.00 0.08 C ATOM 731 CZ2 TRP A 136 3.819 -1.792 2.612 1.00 0.14 C ATOM 732 CZ3 TRP A 136 1.709 -2.570 1.753 1.00 0.11 C ATOM 733 CH2 TRP A 136 3.013 -2.816 2.201 1.00 0.13 C ATOM 0 H TRP A 136 -0.425 1.896 4.378 1.00 0.07 H new ATOM 0 HA TRP A 136 1.210 3.797 2.889 1.00 0.06 H new ATOM 0 HB2 TRP A 136 -0.199 1.387 1.716 1.00 0.07 H new ATOM 0 HB3 TRP A 136 0.855 2.519 0.892 1.00 0.07 H new ATOM 0 HD1 TRP A 136 3.193 2.701 2.835 1.00 0.12 H new ATOM 0 HE1 TRP A 136 4.811 0.775 3.302 1.00 0.14 H new ATOM 0 HE3 TRP A 136 0.196 -1.101 1.353 1.00 0.08 H new ATOM 0 HZ2 TRP A 136 4.822 -1.978 2.968 1.00 0.14 H new ATOM 0 HZ3 TRP A 136 1.089 -3.398 1.443 1.00 0.11 H new ATOM 0 HH2 TRP A 136 3.387 -3.829 2.222 1.00 0.13 H new ATOM 744 N GLU A 137 -0.913 4.526 1.765 1.00 0.05 N ATOM 745 CA GLU A 137 -2.077 5.353 1.459 1.00 0.05 C ATOM 746 C GLU A 137 -2.162 5.590 0.004 1.00 0.05 C ATOM 747 O GLU A 137 -1.301 6.262 -0.518 1.00 0.06 O ATOM 748 CB GLU A 137 -1.986 6.733 2.046 1.00 0.07 C ATOM 749 CG GLU A 137 -1.699 6.790 3.521 1.00 0.11 C ATOM 750 CD GLU A 137 -2.359 7.992 4.175 1.00 0.17 C ATOM 751 OE1 GLU A 137 -2.041 9.135 3.784 1.00 0.27 O ATOM 752 OE2 GLU A 137 -3.212 7.804 5.063 1.00 0.30 O ATOM 0 H GLU A 137 -0.110 4.701 1.161 1.00 0.05 H new ATOM 0 HA GLU A 137 -2.928 4.808 1.868 1.00 0.05 H new ATOM 0 HB2 GLU A 137 -1.205 7.282 1.520 1.00 0.07 H new ATOM 0 HB3 GLU A 137 -2.925 7.253 1.856 1.00 0.07 H new ATOM 0 HG2 GLU A 137 -2.054 5.876 3.997 1.00 0.11 H new ATOM 0 HG3 GLU A 137 -0.622 6.834 3.681 1.00 0.11 H new ATOM 759 N GLY A 138 -3.209 5.206 -0.648 1.00 0.05 N ATOM 760 CA GLY A 138 -3.135 5.272 -2.061 1.00 0.05 C ATOM 761 C GLY A 138 -4.393 5.041 -2.784 1.00 0.06 C ATOM 762 O GLY A 138 -5.455 4.982 -2.197 1.00 0.08 O ATOM 0 H GLY A 138 -4.082 4.861 -0.248 1.00 0.05 H new ATOM 0 HA2 GLY A 138 -2.754 6.255 -2.339 1.00 0.05 H new ATOM 0 HA3 GLY A 138 -2.404 4.539 -2.401 1.00 0.05 H new ATOM 766 N VAL A 139 -4.259 4.855 -4.073 1.00 0.06 N ATOM 767 CA VAL A 139 -5.411 4.731 -4.900 1.00 0.07 C ATOM 768 C VAL A 139 -5.441 3.390 -5.589 1.00 0.08 C ATOM 769 O VAL A 139 -4.407 2.829 -5.962 1.00 0.11 O ATOM 770 CB VAL A 139 -5.462 5.868 -5.916 1.00 0.09 C ATOM 771 CG1 VAL A 139 -4.406 5.717 -6.997 1.00 0.11 C ATOM 772 CG2 VAL A 139 -6.851 5.994 -6.502 1.00 0.10 C ATOM 0 H VAL A 139 -3.366 4.788 -4.561 1.00 0.06 H new ATOM 0 HA VAL A 139 -6.295 4.798 -4.266 1.00 0.07 H new ATOM 0 HB VAL A 139 -5.232 6.794 -5.389 1.00 0.09 H new ATOM 0 HG11 VAL A 139 -4.481 6.549 -7.697 1.00 0.11 H new ATOM 0 HG12 VAL A 139 -3.416 5.714 -6.541 1.00 0.11 H new ATOM 0 HG13 VAL A 139 -4.562 4.779 -7.530 1.00 0.11 H new ATOM 0 HG21 VAL A 139 -6.868 6.810 -7.225 1.00 0.10 H new ATOM 0 HG22 VAL A 139 -7.122 5.063 -7.000 1.00 0.10 H new ATOM 0 HG23 VAL A 139 -7.565 6.200 -5.705 1.00 0.10 H new ATOM 782 N LEU A 140 -6.634 2.870 -5.706 1.00 0.08 N ATOM 783 CA LEU A 140 -6.868 1.624 -6.299 1.00 0.12 C ATOM 784 C LEU A 140 -7.891 1.770 -7.401 1.00 0.14 C ATOM 785 O LEU A 140 -9.071 2.027 -7.173 1.00 0.15 O ATOM 786 CB LEU A 140 -7.331 0.691 -5.224 1.00 0.19 C ATOM 787 CG LEU A 140 -8.594 -0.081 -5.547 1.00 0.43 C ATOM 788 CD1 LEU A 140 -8.331 -1.565 -5.608 1.00 0.88 C ATOM 789 CD2 LEU A 140 -9.681 0.240 -4.550 1.00 0.99 C ATOM 0 H LEU A 140 -7.480 3.333 -5.375 1.00 0.08 H new ATOM 0 HA LEU A 140 -5.963 1.222 -6.755 1.00 0.12 H new ATOM 0 HB2 LEU A 140 -6.533 -0.020 -5.012 1.00 0.19 H new ATOM 0 HB3 LEU A 140 -7.497 1.265 -4.312 1.00 0.19 H new ATOM 0 HG LEU A 140 -8.935 0.229 -6.535 1.00 0.43 H new ATOM 0 HD11 LEU A 140 -9.258 -2.089 -5.842 1.00 0.88 H new ATOM 0 HD12 LEU A 140 -7.592 -1.772 -6.382 1.00 0.88 H new ATOM 0 HD13 LEU A 140 -7.953 -1.907 -4.645 1.00 0.88 H new ATOM 0 HD21 LEU A 140 -10.580 -0.324 -4.798 1.00 0.99 H new ATOM 0 HD22 LEU A 140 -9.348 -0.031 -3.548 1.00 0.99 H new ATOM 0 HD23 LEU A 140 -9.901 1.307 -4.583 1.00 0.99 H new ATOM 801 N ASN A 141 -7.388 1.681 -8.592 1.00 0.19 N ATOM 802 CA ASN A 141 -8.197 1.748 -9.814 1.00 0.23 C ATOM 803 C ASN A 141 -9.019 3.019 -9.903 1.00 0.19 C ATOM 804 O ASN A 141 -10.003 3.114 -10.637 1.00 0.26 O ATOM 805 CB ASN A 141 -9.093 0.540 -9.902 1.00 0.30 C ATOM 806 CG ASN A 141 -8.338 -0.659 -10.388 1.00 0.41 C ATOM 807 OD1 ASN A 141 -8.326 -0.974 -11.578 1.00 0.52 O ATOM 808 ND2 ASN A 141 -7.673 -1.318 -9.474 1.00 0.50 N ATOM 0 H ASN A 141 -6.391 1.558 -8.768 1.00 0.19 H new ATOM 0 HA ASN A 141 -7.507 1.759 -10.658 1.00 0.23 H new ATOM 0 HB2 ASN A 141 -9.523 0.330 -8.922 1.00 0.30 H new ATOM 0 HB3 ASN A 141 -9.924 0.748 -10.576 1.00 0.30 H new ATOM 0 HD21 ASN A 141 -7.114 -2.130 -9.736 1.00 0.50 H new ATOM 0 HD22 ASN A 141 -7.713 -1.019 -8.499 1.00 0.50 H new ATOM 815 N GLY A 142 -8.581 3.978 -9.150 1.00 0.12 N ATOM 816 CA GLY A 142 -9.218 5.264 -9.103 1.00 0.11 C ATOM 817 C GLY A 142 -9.896 5.539 -7.788 1.00 0.11 C ATOM 818 O GLY A 142 -10.375 6.642 -7.527 1.00 0.17 O ATOM 0 H GLY A 142 -7.765 3.894 -8.544 1.00 0.12 H new ATOM 0 HA2 GLY A 142 -8.474 6.038 -9.290 1.00 0.11 H new ATOM 0 HA3 GLY A 142 -9.954 5.328 -9.905 1.00 0.11 H new ATOM 822 N LYS A 143 -9.930 4.525 -6.970 1.00 0.10 N ATOM 823 CA LYS A 143 -10.480 4.605 -5.644 1.00 0.12 C ATOM 824 C LYS A 143 -9.380 4.839 -4.638 1.00 0.09 C ATOM 825 O LYS A 143 -8.567 3.958 -4.395 1.00 0.08 O ATOM 826 CB LYS A 143 -11.192 3.308 -5.329 1.00 0.17 C ATOM 827 CG LYS A 143 -11.806 3.263 -3.937 1.00 0.18 C ATOM 828 CD LYS A 143 -13.323 3.257 -3.968 1.00 0.21 C ATOM 829 CE LYS A 143 -13.861 1.857 -4.210 1.00 0.26 C ATOM 830 NZ LYS A 143 -15.345 1.811 -4.164 1.00 0.51 N ATOM 0 H LYS A 143 -9.570 3.601 -7.210 1.00 0.10 H new ATOM 0 HA LYS A 143 -11.183 5.436 -5.592 1.00 0.12 H new ATOM 0 HB2 LYS A 143 -11.978 3.148 -6.067 1.00 0.17 H new ATOM 0 HB3 LYS A 143 -10.486 2.484 -5.431 1.00 0.17 H new ATOM 0 HG2 LYS A 143 -11.453 2.372 -3.417 1.00 0.18 H new ATOM 0 HG3 LYS A 143 -11.461 4.124 -3.364 1.00 0.18 H new ATOM 0 HD2 LYS A 143 -13.710 3.640 -3.024 1.00 0.21 H new ATOM 0 HD3 LYS A 143 -13.676 3.926 -4.753 1.00 0.21 H new ATOM 0 HE2 LYS A 143 -13.518 1.501 -5.181 1.00 0.26 H new ATOM 0 HE3 LYS A 143 -13.455 1.179 -3.460 1.00 0.26 H new ATOM 0 HZ1 LYS A 143 -15.668 0.837 -4.334 1.00 0.51 H new ATOM 0 HZ2 LYS A 143 -15.673 2.126 -3.229 1.00 0.51 H new ATOM 0 HZ3 LYS A 143 -15.735 2.438 -4.897 1.00 0.51 H new ATOM 844 N THR A 144 -9.339 6.011 -4.057 1.00 0.11 N ATOM 845 CA THR A 144 -8.253 6.341 -3.177 1.00 0.08 C ATOM 846 C THR A 144 -8.577 5.964 -1.735 1.00 0.08 C ATOM 847 O THR A 144 -9.741 5.858 -1.352 1.00 0.11 O ATOM 848 CB THR A 144 -7.914 7.822 -3.256 1.00 0.10 C ATOM 849 OG1 THR A 144 -8.157 8.319 -4.581 1.00 0.14 O ATOM 850 CG2 THR A 144 -6.456 8.051 -2.880 1.00 0.10 C ATOM 0 H THR A 144 -10.038 6.744 -4.177 1.00 0.11 H new ATOM 0 HA THR A 144 -7.387 5.765 -3.503 1.00 0.08 H new ATOM 0 HB THR A 144 -8.551 8.359 -2.553 1.00 0.10 H new ATOM 0 HG1 THR A 144 -7.937 9.273 -4.618 1.00 0.14 H new ATOM 0 HG21 THR A 144 -6.227 9.115 -2.941 1.00 0.10 H new ATOM 0 HG22 THR A 144 -6.283 7.700 -1.862 1.00 0.10 H new ATOM 0 HG23 THR A 144 -5.812 7.502 -3.567 1.00 0.10 H new ATOM 858 N GLY A 145 -7.529 5.756 -0.965 1.00 0.06 N ATOM 859 CA GLY A 145 -7.649 5.342 0.406 1.00 0.07 C ATOM 860 C GLY A 145 -6.297 5.269 1.065 1.00 0.06 C ATOM 861 O GLY A 145 -5.370 5.980 0.691 1.00 0.06 O ATOM 0 H GLY A 145 -6.566 5.872 -1.281 1.00 0.06 H new ATOM 0 HA2 GLY A 145 -8.285 6.043 0.947 1.00 0.07 H new ATOM 0 HA3 GLY A 145 -8.135 4.368 0.455 1.00 0.07 H new ATOM 865 N MET A 146 -6.205 4.403 2.038 1.00 0.09 N ATOM 866 CA MET A 146 -4.970 4.075 2.708 1.00 0.10 C ATOM 867 C MET A 146 -5.197 2.800 3.441 1.00 0.16 C ATOM 868 O MET A 146 -6.322 2.515 3.796 1.00 0.35 O ATOM 869 CB MET A 146 -4.572 5.175 3.681 1.00 0.15 C ATOM 870 CG MET A 146 -3.867 4.720 4.961 1.00 0.28 C ATOM 871 SD MET A 146 -5.010 4.268 6.282 1.00 0.64 S ATOM 872 CE MET A 146 -5.810 5.846 6.569 1.00 1.47 C ATOM 0 H MET A 146 -7.009 3.890 2.399 1.00 0.09 H new ATOM 0 HA MET A 146 -4.161 3.974 1.985 1.00 0.10 H new ATOM 0 HB2 MET A 146 -3.918 5.874 3.159 1.00 0.15 H new ATOM 0 HB3 MET A 146 -5.470 5.726 3.961 1.00 0.15 H new ATOM 0 HG2 MET A 146 -3.230 3.865 4.733 1.00 0.28 H new ATOM 0 HG3 MET A 146 -3.214 5.519 5.312 1.00 0.28 H new ATOM 0 HE1 MET A 146 -5.796 6.072 7.635 1.00 1.47 H new ATOM 0 HE2 MET A 146 -5.279 6.627 6.025 1.00 1.47 H new ATOM 0 HE3 MET A 146 -6.842 5.799 6.222 1.00 1.47 H new ATOM 882 N PHE A 147 -4.144 2.045 3.632 1.00 0.06 N ATOM 883 CA PHE A 147 -4.189 0.831 4.393 1.00 0.06 C ATOM 884 C PHE A 147 -2.991 0.684 5.290 1.00 0.06 C ATOM 885 O PHE A 147 -1.912 1.197 5.009 1.00 0.09 O ATOM 886 CB PHE A 147 -4.208 -0.388 3.508 1.00 0.07 C ATOM 887 CG PHE A 147 -3.701 -0.159 2.133 1.00 0.07 C ATOM 888 CD1 PHE A 147 -2.340 -0.251 1.877 1.00 0.08 C ATOM 889 CD2 PHE A 147 -4.567 0.114 1.100 1.00 0.06 C ATOM 890 CE1 PHE A 147 -1.853 -0.079 0.608 1.00 0.09 C ATOM 891 CE2 PHE A 147 -4.093 0.298 -0.174 1.00 0.06 C ATOM 892 CZ PHE A 147 -2.742 0.200 -0.429 1.00 0.08 C ATOM 0 H PHE A 147 -3.221 2.263 3.256 1.00 0.06 H new ATOM 0 HA PHE A 147 -5.105 0.898 4.979 1.00 0.06 H new ATOM 0 HB2 PHE A 147 -3.611 -1.170 3.976 1.00 0.07 H new ATOM 0 HB3 PHE A 147 -5.230 -0.761 3.447 1.00 0.07 H new ATOM 0 HD1 PHE A 147 -1.657 -0.461 2.687 1.00 0.08 H new ATOM 0 HD2 PHE A 147 -5.627 0.184 1.293 1.00 0.06 H new ATOM 0 HE1 PHE A 147 -0.794 -0.159 0.413 1.00 0.09 H new ATOM 0 HE2 PHE A 147 -4.779 0.520 -0.978 1.00 0.06 H new ATOM 0 HZ PHE A 147 -2.372 0.340 -1.434 1.00 0.08 H new ATOM 902 N PRO A 148 -3.162 -0.064 6.364 1.00 0.06 N ATOM 903 CA PRO A 148 -2.053 -0.521 7.179 1.00 0.05 C ATOM 904 C PRO A 148 -1.391 -1.761 6.612 1.00 0.06 C ATOM 905 O PRO A 148 -0.914 -2.616 7.364 1.00 0.10 O ATOM 906 CB PRO A 148 -2.733 -0.847 8.502 1.00 0.06 C ATOM 907 CG PRO A 148 -4.074 -1.346 8.070 1.00 0.07 C ATOM 908 CD PRO A 148 -4.465 -0.468 6.924 1.00 0.07 C ATOM 0 HA PRO A 148 -1.255 0.218 7.248 1.00 0.05 H new ATOM 0 HB2 PRO A 148 -2.183 -1.601 9.065 1.00 0.06 H new ATOM 0 HB3 PRO A 148 -2.815 0.031 9.142 1.00 0.06 H new ATOM 0 HG2 PRO A 148 -4.027 -2.392 7.767 1.00 0.07 H new ATOM 0 HG3 PRO A 148 -4.799 -1.282 8.881 1.00 0.07 H new ATOM 0 HD2 PRO A 148 -5.071 -1.003 6.193 1.00 0.07 H new ATOM 0 HD3 PRO A 148 -5.048 0.392 7.254 1.00 0.07 H new ATOM 916 N SER A 149 -1.354 -1.830 5.283 1.00 0.08 N ATOM 917 CA SER A 149 -0.719 -2.949 4.577 1.00 0.09 C ATOM 918 C SER A 149 -1.185 -4.285 5.141 1.00 0.09 C ATOM 919 O SER A 149 -0.444 -5.269 5.209 1.00 0.13 O ATOM 920 CB SER A 149 0.728 -2.788 4.858 1.00 0.14 C ATOM 921 OG SER A 149 1.176 -1.494 4.536 1.00 0.96 O ATOM 0 H SER A 149 -1.757 -1.123 4.668 1.00 0.08 H new ATOM 0 HA SER A 149 -0.961 -2.943 3.514 1.00 0.09 H new ATOM 0 HB2 SER A 149 0.919 -2.988 5.912 1.00 0.14 H new ATOM 0 HB3 SER A 149 1.295 -3.523 4.286 1.00 0.14 H new ATOM 0 HG SER A 149 1.709 -1.527 3.715 1.00 0.96 H new ATOM 927 N ASN A 150 -2.414 -4.281 5.548 1.00 0.07 N ATOM 928 CA ASN A 150 -2.966 -5.340 6.354 1.00 0.09 C ATOM 929 C ASN A 150 -3.394 -6.501 5.496 1.00 0.11 C ATOM 930 O ASN A 150 -3.119 -7.665 5.775 1.00 0.18 O ATOM 931 CB ASN A 150 -4.113 -4.779 7.176 1.00 0.11 C ATOM 932 CG ASN A 150 -4.572 -5.716 8.267 1.00 0.16 C ATOM 933 OD1 ASN A 150 -5.471 -6.529 8.072 1.00 0.20 O ATOM 934 ND2 ASN A 150 -3.950 -5.602 9.427 1.00 0.18 N ATOM 0 H ASN A 150 -3.076 -3.536 5.331 1.00 0.07 H new ATOM 0 HA ASN A 150 -2.207 -5.726 7.034 1.00 0.09 H new ATOM 0 HB2 ASN A 150 -3.804 -3.834 7.623 1.00 0.11 H new ATOM 0 HB3 ASN A 150 -4.952 -4.560 6.516 1.00 0.11 H new ATOM 0 HD21 ASN A 150 -4.211 -6.205 10.207 1.00 0.18 H new ATOM 0 HD22 ASN A 150 -3.208 -4.911 9.542 1.00 0.18 H new ATOM 941 N PHE A 151 -4.070 -6.141 4.449 1.00 0.09 N ATOM 942 CA PHE A 151 -4.440 -7.053 3.395 1.00 0.09 C ATOM 943 C PHE A 151 -3.460 -6.860 2.263 1.00 0.11 C ATOM 944 O PHE A 151 -3.293 -7.711 1.454 1.00 0.27 O ATOM 945 CB PHE A 151 -5.881 -6.771 2.970 1.00 0.10 C ATOM 946 CG PHE A 151 -6.829 -7.004 4.104 1.00 0.12 C ATOM 947 CD1 PHE A 151 -7.251 -8.289 4.418 1.00 0.15 C ATOM 948 CD2 PHE A 151 -7.256 -5.945 4.887 1.00 0.11 C ATOM 949 CE1 PHE A 151 -8.092 -8.507 5.495 1.00 0.17 C ATOM 950 CE2 PHE A 151 -8.086 -6.153 5.964 1.00 0.13 C ATOM 951 CZ PHE A 151 -8.506 -7.438 6.274 1.00 0.15 C ATOM 0 H PHE A 151 -4.390 -5.185 4.294 1.00 0.09 H new ATOM 0 HA PHE A 151 -4.399 -8.092 3.722 1.00 0.09 H new ATOM 0 HB2 PHE A 151 -5.967 -5.741 2.625 1.00 0.10 H new ATOM 0 HB3 PHE A 151 -6.148 -7.412 2.130 1.00 0.10 H new ATOM 0 HD1 PHE A 151 -6.921 -9.124 3.818 1.00 0.15 H new ATOM 0 HD2 PHE A 151 -6.933 -4.942 4.649 1.00 0.11 H new ATOM 0 HE1 PHE A 151 -8.425 -9.508 5.728 1.00 0.17 H new ATOM 0 HE2 PHE A 151 -8.410 -5.318 6.567 1.00 0.13 H new ATOM 0 HZ PHE A 151 -9.155 -7.605 7.121 1.00 0.15 H new ATOM 961 N ILE A 152 -2.734 -5.759 2.277 1.00 0.09 N ATOM 962 CA ILE A 152 -1.889 -5.395 1.190 1.00 0.08 C ATOM 963 C ILE A 152 -0.441 -5.404 1.570 1.00 0.09 C ATOM 964 O ILE A 152 -0.011 -4.889 2.586 1.00 0.15 O ATOM 965 CB ILE A 152 -2.270 -4.041 0.620 1.00 0.07 C ATOM 966 CG1 ILE A 152 -1.057 -3.242 0.172 1.00 0.06 C ATOM 967 CG2 ILE A 152 -3.102 -3.251 1.584 1.00 0.08 C ATOM 968 CD1 ILE A 152 -0.941 -3.188 -1.303 1.00 0.06 C ATOM 0 H ILE A 152 -2.724 -5.098 3.054 1.00 0.09 H new ATOM 0 HA ILE A 152 -2.036 -6.152 0.420 1.00 0.08 H new ATOM 0 HB ILE A 152 -2.874 -4.238 -0.266 1.00 0.07 H new ATOM 0 HG12 ILE A 152 -1.124 -2.229 0.567 1.00 0.06 H new ATOM 0 HG13 ILE A 152 -0.155 -3.688 0.590 1.00 0.06 H new ATOM 0 HG21 ILE A 152 -3.356 -2.288 1.141 1.00 0.08 H new ATOM 0 HG22 ILE A 152 -4.017 -3.799 1.809 1.00 0.08 H new ATOM 0 HG23 ILE A 152 -2.539 -3.091 2.504 1.00 0.08 H new ATOM 0 HD11 ILE A 152 -0.060 -2.607 -1.578 1.00 0.06 H new ATOM 0 HD12 ILE A 152 -0.846 -4.200 -1.698 1.00 0.06 H new ATOM 0 HD13 ILE A 152 -1.831 -2.717 -1.721 1.00 0.06 H new ATOM 980 N LYS A 153 0.261 -6.042 0.721 1.00 0.15 N ATOM 981 CA LYS A 153 1.702 -6.201 0.803 1.00 0.20 C ATOM 982 C LYS A 153 2.314 -5.589 -0.430 1.00 0.33 C ATOM 983 O LYS A 153 1.566 -5.230 -1.334 1.00 0.75 O ATOM 984 CB LYS A 153 2.081 -7.689 0.885 1.00 0.36 C ATOM 985 CG LYS A 153 0.942 -8.589 1.347 1.00 0.28 C ATOM 986 CD LYS A 153 0.432 -8.180 2.725 1.00 0.37 C ATOM 987 CE LYS A 153 1.392 -8.584 3.832 1.00 0.60 C ATOM 988 NZ LYS A 153 0.967 -8.069 5.163 1.00 1.24 N ATOM 0 H LYS A 153 -0.146 -6.498 -0.096 1.00 0.15 H new ATOM 0 HA LYS A 153 2.073 -5.707 1.701 1.00 0.20 H new ATOM 0 HB2 LYS A 153 2.420 -8.022 -0.096 1.00 0.36 H new ATOM 0 HB3 LYS A 153 2.922 -7.803 1.569 1.00 0.36 H new ATOM 0 HG2 LYS A 153 0.125 -8.543 0.627 1.00 0.28 H new ATOM 0 HG3 LYS A 153 1.283 -9.624 1.376 1.00 0.28 H new ATOM 0 HD2 LYS A 153 0.283 -7.100 2.751 1.00 0.37 H new ATOM 0 HD3 LYS A 153 -0.540 -8.640 2.903 1.00 0.37 H new ATOM 0 HE2 LYS A 153 1.462 -9.671 3.871 1.00 0.60 H new ATOM 0 HE3 LYS A 153 2.389 -8.208 3.601 1.00 0.60 H new ATOM 0 HZ1 LYS A 153 1.801 -7.952 5.773 1.00 1.24 H new ATOM 0 HZ2 LYS A 153 0.493 -7.151 5.045 1.00 1.24 H new ATOM 0 HZ3 LYS A 153 0.309 -8.744 5.603 1.00 1.24 H new ATOM 1002 N GLU A 154 3.604 -5.258 -0.354 1.00 0.15 N ATOM 1003 CA GLU A 154 4.504 -5.308 -1.502 1.00 0.14 C ATOM 1004 C GLU A 154 5.546 -4.218 -1.529 1.00 0.22 C ATOM 1005 O GLU A 154 6.686 -4.349 -1.087 1.00 0.30 O ATOM 1006 CB GLU A 154 3.734 -5.156 -2.770 1.00 0.17 C ATOM 1007 CG GLU A 154 3.229 -6.458 -3.357 1.00 0.33 C ATOM 1008 CD GLU A 154 4.331 -7.471 -3.596 1.00 0.99 C ATOM 1009 OE1 GLU A 154 4.748 -8.146 -2.633 1.00 1.76 O ATOM 1010 OE2 GLU A 154 4.802 -7.579 -4.746 1.00 1.08 O ATOM 0 H GLU A 154 4.053 -4.947 0.508 1.00 0.15 H new ATOM 0 HA GLU A 154 5.001 -6.274 -1.410 1.00 0.14 H new ATOM 0 HB2 GLU A 154 2.883 -4.500 -2.587 1.00 0.17 H new ATOM 0 HB3 GLU A 154 4.366 -4.660 -3.507 1.00 0.17 H new ATOM 0 HG2 GLU A 154 2.487 -6.889 -2.684 1.00 0.33 H new ATOM 0 HG3 GLU A 154 2.723 -6.252 -4.300 1.00 0.33 H new ATOM 1017 N LEU A 155 5.038 -3.150 -2.069 1.00 0.27 N ATOM 1018 CA LEU A 155 5.752 -2.030 -2.633 1.00 0.34 C ATOM 1019 C LEU A 155 6.956 -1.486 -1.923 1.00 0.43 C ATOM 1020 O LEU A 155 7.201 -1.649 -0.725 1.00 0.47 O ATOM 1021 CB LEU A 155 4.791 -0.872 -2.869 1.00 0.29 C ATOM 1022 CG LEU A 155 4.104 -0.221 -1.674 1.00 0.25 C ATOM 1023 CD1 LEU A 155 3.982 -1.148 -0.494 1.00 0.22 C ATOM 1024 CD2 LEU A 155 4.789 1.068 -1.295 1.00 0.35 C ATOM 0 H LEU A 155 4.028 -3.024 -2.134 1.00 0.27 H new ATOM 0 HA LEU A 155 6.165 -2.473 -3.539 1.00 0.34 H new ATOM 0 HB2 LEU A 155 5.340 -0.092 -3.397 1.00 0.29 H new ATOM 0 HB3 LEU A 155 4.011 -1.225 -3.544 1.00 0.29 H new ATOM 0 HG LEU A 155 3.085 0.012 -1.985 1.00 0.25 H new ATOM 0 HD11 LEU A 155 3.485 -0.630 0.326 1.00 0.22 H new ATOM 0 HD12 LEU A 155 3.397 -2.023 -0.778 1.00 0.22 H new ATOM 0 HD13 LEU A 155 4.975 -1.464 -0.175 1.00 0.22 H new ATOM 0 HD21 LEU A 155 4.280 1.513 -0.440 1.00 0.35 H new ATOM 0 HD22 LEU A 155 5.828 0.865 -1.034 1.00 0.35 H new ATOM 0 HD23 LEU A 155 4.755 1.759 -2.137 1.00 0.35 H new ATOM 1036 N SER A 156 7.659 -0.801 -2.786 1.00 0.59 N ATOM 1037 CA SER A 156 8.691 0.144 -2.510 1.00 0.79 C ATOM 1038 C SER A 156 10.010 -0.483 -2.125 1.00 0.93 C ATOM 1039 O SER A 156 10.065 -1.556 -1.521 1.00 1.25 O ATOM 1040 CB SER A 156 8.282 1.236 -1.528 1.00 1.07 C ATOM 1041 OG SER A 156 8.053 0.757 -0.215 1.00 1.78 O ATOM 0 H SER A 156 7.504 -0.905 -3.789 1.00 0.59 H new ATOM 0 HA SER A 156 8.852 0.635 -3.469 1.00 0.79 H new ATOM 0 HB2 SER A 156 9.061 1.997 -1.498 1.00 1.07 H new ATOM 0 HB3 SER A 156 7.377 1.721 -1.893 1.00 1.07 H new ATOM 0 HG SER A 156 8.065 -0.223 -0.218 1.00 1.78 H new ATOM 1047 N GLY A 157 11.078 0.200 -2.501 1.00 1.27 N ATOM 1048 CA GLY A 157 12.404 -0.291 -2.188 1.00 1.76 C ATOM 1049 C GLY A 157 13.039 -0.984 -3.367 1.00 2.43 C ATOM 1050 O GLY A 157 13.829 -1.915 -3.202 1.00 3.12 O ATOM 0 H GLY A 157 11.053 1.081 -3.015 1.00 1.27 H new ATOM 0 HA2 GLY A 157 13.034 0.541 -1.873 1.00 1.76 H new ATOM 0 HA3 GLY A 157 12.346 -0.983 -1.348 1.00 1.76 H new ATOM 1054 N GLU A 158 12.681 -0.504 -4.552 1.00 2.81 N ATOM 1055 CA GLU A 158 13.160 -1.017 -5.820 1.00 3.68 C ATOM 1056 C GLU A 158 12.615 -2.392 -6.152 1.00 4.25 C ATOM 1057 O GLU A 158 12.322 -3.218 -5.292 1.00 4.26 O ATOM 1058 CB GLU A 158 14.674 -1.009 -5.885 1.00 4.41 C ATOM 1059 CG GLU A 158 15.244 -1.200 -7.284 1.00 5.23 C ATOM 1060 CD GLU A 158 16.749 -1.043 -7.326 1.00 5.97 C ATOM 1061 OE1 GLU A 158 17.455 -1.918 -6.786 1.00 6.55 O ATOM 1062 OE2 GLU A 158 17.229 -0.047 -7.902 1.00 6.23 O ATOM 0 H GLU A 158 12.031 0.275 -4.655 1.00 2.81 H new ATOM 0 HA GLU A 158 12.776 -0.337 -6.581 1.00 3.68 H new ATOM 0 HB2 GLU A 158 15.038 -0.063 -5.484 1.00 4.41 H new ATOM 0 HB3 GLU A 158 15.058 -1.798 -5.239 1.00 4.41 H new ATOM 0 HG2 GLU A 158 14.976 -2.191 -7.649 1.00 5.23 H new ATOM 0 HG3 GLU A 158 14.788 -0.477 -7.960 1.00 5.23 H new ATOM 1069 N SER A 159 12.569 -2.585 -7.448 1.00 5.09 N ATOM 1070 CA SER A 159 11.911 -3.698 -8.131 1.00 5.99 C ATOM 1071 C SER A 159 11.438 -3.126 -9.449 1.00 6.46 C ATOM 1072 O SER A 159 10.329 -3.374 -9.918 1.00 7.03 O ATOM 1073 CB SER A 159 10.720 -4.261 -7.333 1.00 6.45 C ATOM 1074 OG SER A 159 10.209 -5.449 -7.919 1.00 6.78 O ATOM 0 H SER A 159 13.012 -1.939 -8.101 1.00 5.09 H new ATOM 0 HA SER A 159 12.599 -4.535 -8.254 1.00 5.99 H new ATOM 0 HB2 SER A 159 11.032 -4.466 -6.309 1.00 6.45 H new ATOM 0 HB3 SER A 159 9.930 -3.512 -7.281 1.00 6.45 H new ATOM 0 HG SER A 159 9.969 -5.276 -8.853 1.00 6.78 H new ATOM 1080 N ASP A 160 12.338 -2.346 -10.024 1.00 6.48 N ATOM 1081 CA ASP A 160 12.004 -1.373 -11.060 1.00 7.02 C ATOM 1082 C ASP A 160 10.824 -0.551 -10.610 1.00 6.89 C ATOM 1083 O ASP A 160 9.830 -0.373 -11.316 1.00 7.61 O ATOM 1084 CB ASP A 160 11.721 -2.009 -12.405 1.00 8.05 C ATOM 1085 CG ASP A 160 12.986 -2.402 -13.136 1.00 8.51 C ATOM 1086 OD1 ASP A 160 13.537 -3.482 -12.837 1.00 8.73 O ATOM 1087 OD2 ASP A 160 13.443 -1.626 -13.997 1.00 8.82 O ATOM 0 H ASP A 160 13.330 -2.368 -9.786 1.00 6.48 H new ATOM 0 HA ASP A 160 12.877 -0.736 -11.201 1.00 7.02 H new ATOM 0 HB2 ASP A 160 11.098 -2.892 -12.262 1.00 8.05 H new ATOM 0 HB3 ASP A 160 11.151 -1.313 -13.020 1.00 8.05 H new ATOM 1092 N GLU A 161 10.979 -0.054 -9.416 1.00 6.14 N ATOM 1093 CA GLU A 161 9.948 0.644 -8.720 1.00 6.19 C ATOM 1094 C GLU A 161 10.261 2.112 -8.664 1.00 5.92 C ATOM 1095 O GLU A 161 9.580 2.927 -9.264 1.00 6.29 O ATOM 1096 CB GLU A 161 9.811 0.027 -7.329 1.00 6.13 C ATOM 1097 CG GLU A 161 8.824 0.723 -6.417 1.00 6.85 C ATOM 1098 CD GLU A 161 9.501 1.417 -5.253 1.00 7.34 C ATOM 1099 OE1 GLU A 161 10.739 1.309 -5.125 1.00 7.62 O ATOM 1100 OE2 GLU A 161 8.797 2.067 -4.450 1.00 7.69 O ATOM 0 H GLU A 161 11.850 -0.128 -8.890 1.00 6.14 H new ATOM 0 HA GLU A 161 8.995 0.549 -9.241 1.00 6.19 H new ATOM 0 HB2 GLU A 161 9.510 -1.015 -7.438 1.00 6.13 H new ATOM 0 HB3 GLU A 161 10.790 0.028 -6.849 1.00 6.13 H new ATOM 0 HG2 GLU A 161 8.256 1.455 -6.992 1.00 6.85 H new ATOM 0 HG3 GLU A 161 8.110 -0.007 -6.035 1.00 6.85 H new ATOM 1107 N LEU A 162 11.341 2.341 -7.971 1.00 5.64 N ATOM 1108 CA LEU A 162 11.993 3.640 -7.676 1.00 5.77 C ATOM 1109 C LEU A 162 11.824 4.709 -8.728 1.00 6.51 C ATOM 1110 O LEU A 162 12.773 5.140 -9.389 1.00 6.98 O ATOM 1111 CB LEU A 162 13.458 3.410 -7.568 1.00 5.89 C ATOM 1112 CG LEU A 162 13.948 2.455 -6.480 1.00 5.70 C ATOM 1113 CD1 LEU A 162 15.458 2.344 -6.538 1.00 6.13 C ATOM 1114 CD2 LEU A 162 13.522 2.927 -5.104 1.00 5.67 C ATOM 0 H LEU A 162 11.855 1.568 -7.548 1.00 5.64 H new ATOM 0 HA LEU A 162 11.513 3.997 -6.765 1.00 5.77 H new ATOM 0 HB2 LEU A 162 13.810 3.034 -8.528 1.00 5.89 H new ATOM 0 HB3 LEU A 162 13.938 4.375 -7.408 1.00 5.89 H new ATOM 0 HG LEU A 162 13.501 1.477 -6.659 1.00 5.70 H new ATOM 0 HD11 LEU A 162 15.803 1.662 -5.761 1.00 6.13 H new ATOM 0 HD12 LEU A 162 15.758 1.963 -7.514 1.00 6.13 H new ATOM 0 HD13 LEU A 162 15.901 3.327 -6.381 1.00 6.13 H new ATOM 0 HD21 LEU A 162 13.885 2.228 -4.351 1.00 5.67 H new ATOM 0 HD22 LEU A 162 13.940 3.915 -4.913 1.00 5.67 H new ATOM 0 HD23 LEU A 162 12.434 2.978 -5.057 1.00 5.67 H new ATOM 1126 N GLY A 163 10.625 5.104 -8.860 1.00 6.86 N ATOM 1127 CA GLY A 163 10.261 6.185 -9.731 1.00 7.71 C ATOM 1128 C GLY A 163 10.449 5.798 -11.177 1.00 8.25 C ATOM 1129 O GLY A 163 10.475 6.642 -12.075 1.00 9.05 O ATOM 0 H GLY A 163 9.837 4.688 -8.363 1.00 6.86 H new ATOM 0 HA2 GLY A 163 9.222 6.463 -9.557 1.00 7.71 H new ATOM 0 HA3 GLY A 163 10.868 7.061 -9.503 1.00 7.71 H new ATOM 1133 N ILE A 164 10.582 4.501 -11.380 1.00 7.96 N ATOM 1134 CA ILE A 164 10.918 3.935 -12.646 1.00 8.59 C ATOM 1135 C ILE A 164 9.688 3.742 -13.521 1.00 9.33 C ATOM 1136 O ILE A 164 9.707 4.096 -14.701 1.00 9.75 O ATOM 1137 CB ILE A 164 11.652 2.623 -12.433 1.00 8.23 C ATOM 1138 CG1 ILE A 164 13.021 2.889 -11.805 1.00 7.85 C ATOM 1139 CG2 ILE A 164 11.784 1.846 -13.724 1.00 9.08 C ATOM 1140 CD1 ILE A 164 13.731 1.648 -11.317 1.00 7.64 C ATOM 0 H ILE A 164 10.454 3.807 -10.644 1.00 7.96 H new ATOM 0 HA ILE A 164 11.572 4.629 -13.174 1.00 8.59 H new ATOM 0 HB ILE A 164 11.067 2.008 -11.749 1.00 8.23 H new ATOM 0 HG12 ILE A 164 13.653 3.391 -12.538 1.00 7.85 H new ATOM 0 HG13 ILE A 164 12.897 3.576 -10.968 1.00 7.85 H new ATOM 0 HG21 ILE A 164 12.314 0.913 -13.534 1.00 9.08 H new ATOM 0 HG22 ILE A 164 10.792 1.626 -14.119 1.00 9.08 H new ATOM 0 HG23 ILE A 164 12.341 2.439 -14.450 1.00 9.08 H new ATOM 0 HD11 ILE A 164 14.693 1.925 -10.886 1.00 7.64 H new ATOM 0 HD12 ILE A 164 13.122 1.155 -10.559 1.00 7.64 H new ATOM 0 HD13 ILE A 164 13.890 0.967 -12.153 1.00 7.64 H new ATOM 1152 N SER A 165 8.617 3.213 -12.922 1.00 9.71 N ATOM 1153 CA SER A 165 7.359 2.950 -13.629 1.00 10.58 C ATOM 1154 C SER A 165 7.607 2.280 -14.984 1.00 11.06 C ATOM 1155 O SER A 165 7.340 2.857 -16.042 1.00 11.41 O ATOM 1156 CB SER A 165 6.541 4.245 -13.787 1.00 11.08 C ATOM 1157 OG SER A 165 7.337 5.317 -14.267 1.00 11.33 O ATOM 0 H SER A 165 8.597 2.955 -11.935 1.00 9.71 H new ATOM 0 HA SER A 165 6.776 2.254 -13.026 1.00 10.58 H new ATOM 0 HB2 SER A 165 5.714 4.070 -14.475 1.00 11.08 H new ATOM 0 HB3 SER A 165 6.104 4.518 -12.826 1.00 11.08 H new ATOM 0 HG SER A 165 7.869 5.012 -15.031 1.00 11.33 H new ATOM 1163 N GLN A 166 8.138 1.064 -14.934 1.00 11.29 N ATOM 1164 CA GLN A 166 8.457 0.314 -16.139 1.00 11.94 C ATOM 1165 C GLN A 166 7.215 -0.412 -16.646 1.00 12.32 C ATOM 1166 O GLN A 166 6.631 0.042 -17.651 1.00 12.60 O ATOM 1167 CB GLN A 166 9.592 -0.681 -15.857 1.00 12.35 C ATOM 1168 CG GLN A 166 10.104 -1.409 -17.095 1.00 12.82 C ATOM 1169 CD GLN A 166 10.684 -0.470 -18.137 1.00 13.18 C ATOM 1170 OE1 GLN A 166 11.874 -0.148 -18.109 1.00 13.32 O ATOM 1171 NE2 GLN A 166 9.856 -0.040 -19.072 1.00 13.54 N ATOM 0 H GLN A 166 8.357 0.576 -14.066 1.00 11.29 H new ATOM 0 HA GLN A 166 8.792 1.006 -16.912 1.00 11.94 H new ATOM 0 HB2 GLN A 166 10.422 -0.147 -15.393 1.00 12.35 H new ATOM 0 HB3 GLN A 166 9.243 -1.418 -15.134 1.00 12.35 H new ATOM 0 HG2 GLN A 166 10.867 -2.128 -16.797 1.00 12.82 H new ATOM 0 HG3 GLN A 166 9.287 -1.977 -17.540 1.00 12.82 H new ATOM 0 HE21 GLN A 166 8.878 -0.330 -19.060 1.00 13.54 H new ATOM 0 HE22 GLN A 166 10.195 0.582 -19.806 1.00 13.54 H new TER 1180 GLN A 166