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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0311 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.627 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000939 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 21 THR OG1 : rot 160:sc= 0.00522 USER MOD Single : A 22 SER OG : rot -109:sc= 0.00205 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= -0.0406 (180deg=-0.059) USER MOD Single : A 32 SER OG : rot 43:sc= 0.46 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -151:sc= -0.681 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 57 SER OG : rot 101:sc= 0.752 USER MOD Single : A 61 THR OG1 : rot 171:sc= -0.147 USER MOD Single : A 62 ASN : amide:sc= 0.153 K(o=0.15,f=-1.6) USER MOD Single : A 68 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.7!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-3.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.349 -5.806 -8.470 1.00 5.34 N ATOM 2 CA MET A 1 -26.333 -6.858 -8.758 1.00 4.90 C ATOM 3 C MET A 1 -24.947 -6.376 -8.313 1.00 4.14 C ATOM 4 O MET A 1 -24.630 -5.202 -8.391 1.00 4.06 O ATOM 5 CB MET A 1 -26.319 -7.155 -10.260 1.00 5.30 C ATOM 6 CG MET A 1 -25.604 -8.483 -10.515 1.00 5.66 C ATOM 7 SD MET A 1 -25.197 -8.614 -12.272 1.00 6.44 S ATOM 8 CE MET A 1 -26.731 -9.411 -12.803 1.00 6.77 C ATOM 0 H1 MET A 1 -27.923 -6.093 -7.652 1.00 5.34 H new ATOM 0 H2 MET A 1 -26.869 -4.908 -8.258 1.00 5.34 H new ATOM 0 H3 MET A 1 -27.965 -5.682 -9.299 1.00 5.34 H new ATOM 0 HA MET A 1 -26.587 -7.766 -8.211 1.00 4.90 H new ATOM 0 HB2 MET A 1 -27.339 -7.201 -10.641 1.00 5.30 H new ATOM 0 HB3 MET A 1 -25.815 -6.350 -10.795 1.00 5.30 H new ATOM 0 HG2 MET A 1 -24.696 -8.542 -9.914 1.00 5.66 H new ATOM 0 HG3 MET A 1 -26.240 -9.315 -10.214 1.00 5.66 H new ATOM 0 HE1 MET A 1 -26.696 -9.589 -13.878 1.00 6.77 H new ATOM 0 HE2 MET A 1 -26.847 -10.361 -12.282 1.00 6.77 H new ATOM 0 HE3 MET A 1 -27.577 -8.764 -12.570 1.00 6.77 H new ATOM 20 N SER A 2 -24.124 -7.278 -7.847 1.00 3.86 N ATOM 21 CA SER A 2 -22.757 -6.894 -7.390 1.00 3.27 C ATOM 22 C SER A 2 -21.753 -7.127 -8.528 1.00 2.95 C ATOM 23 O SER A 2 -20.902 -6.296 -8.791 1.00 2.81 O ATOM 24 CB SER A 2 -22.378 -7.746 -6.180 1.00 3.46 C ATOM 25 OG SER A 2 -21.559 -6.987 -5.301 1.00 3.62 O ATOM 0 H SER A 2 -24.342 -8.271 -7.763 1.00 3.86 H new ATOM 0 HA SER A 2 -22.741 -5.840 -7.112 1.00 3.27 H new ATOM 0 HB2 SER A 2 -23.277 -8.078 -5.660 1.00 3.46 H new ATOM 0 HB3 SER A 2 -21.848 -8.642 -6.505 1.00 3.46 H new ATOM 0 HG SER A 2 -21.318 -7.534 -4.524 1.00 3.62 H new ATOM 31 N GLY A 3 -21.851 -8.255 -9.200 1.00 3.22 N ATOM 32 CA GLY A 3 -20.909 -8.561 -10.322 1.00 3.30 C ATOM 33 C GLY A 3 -21.646 -8.459 -11.663 1.00 3.52 C ATOM 34 O GLY A 3 -22.050 -9.457 -12.230 1.00 4.06 O ATOM 0 H GLY A 3 -22.547 -8.977 -9.016 1.00 3.22 H new ATOM 0 HA2 GLY A 3 -20.070 -7.866 -10.304 1.00 3.30 H new ATOM 0 HA3 GLY A 3 -20.496 -9.562 -10.199 1.00 3.30 H new ATOM 38 N GLY A 4 -21.823 -7.258 -12.173 1.00 3.34 N ATOM 39 CA GLY A 4 -22.533 -7.087 -13.481 1.00 3.70 C ATOM 40 C GLY A 4 -21.913 -5.924 -14.261 1.00 3.57 C ATOM 41 O GLY A 4 -21.322 -6.120 -15.307 1.00 3.94 O ATOM 0 H GLY A 4 -21.506 -6.392 -11.738 1.00 3.34 H new ATOM 0 HA2 GLY A 4 -22.465 -8.005 -14.065 1.00 3.70 H new ATOM 0 HA3 GLY A 4 -23.592 -6.897 -13.308 1.00 3.70 H new ATOM 45 N THR A 5 -22.045 -4.718 -13.759 1.00 3.23 N ATOM 46 CA THR A 5 -21.468 -3.530 -14.469 1.00 3.36 C ATOM 47 C THR A 5 -20.130 -3.124 -13.819 1.00 2.90 C ATOM 48 O THR A 5 -19.359 -2.378 -14.400 1.00 3.40 O ATOM 49 CB THR A 5 -22.459 -2.353 -14.407 1.00 3.93 C ATOM 50 OG1 THR A 5 -23.755 -2.795 -14.797 1.00 4.41 O ATOM 51 CG2 THR A 5 -22.003 -1.242 -15.357 1.00 4.44 C ATOM 0 H THR A 5 -22.528 -4.505 -12.887 1.00 3.23 H new ATOM 0 HA THR A 5 -21.289 -3.792 -15.512 1.00 3.36 H new ATOM 0 HB THR A 5 -22.493 -1.972 -13.386 1.00 3.93 H new ATOM 0 HG1 THR A 5 -24.383 -2.044 -14.755 1.00 4.41 H new ATOM 0 HG21 THR A 5 -22.707 -0.411 -15.310 1.00 4.44 H new ATOM 0 HG22 THR A 5 -21.012 -0.895 -15.063 1.00 4.44 H new ATOM 0 HG23 THR A 5 -21.964 -1.628 -16.376 1.00 4.44 H new ATOM 59 N ALA A 6 -19.844 -3.609 -12.626 1.00 2.28 N ATOM 60 CA ALA A 6 -18.556 -3.254 -11.948 1.00 2.08 C ATOM 61 C ALA A 6 -17.469 -4.257 -12.362 1.00 1.69 C ATOM 62 O ALA A 6 -17.387 -5.348 -11.827 1.00 1.58 O ATOM 63 CB ALA A 6 -18.756 -3.297 -10.428 1.00 1.97 C ATOM 0 H ALA A 6 -20.450 -4.235 -12.096 1.00 2.28 H new ATOM 0 HA ALA A 6 -18.247 -2.251 -12.242 1.00 2.08 H new ATOM 0 HB1 ALA A 6 -17.821 -3.039 -9.931 1.00 1.97 H new ATOM 0 HB2 ALA A 6 -19.528 -2.583 -10.142 1.00 1.97 H new ATOM 0 HB3 ALA A 6 -19.061 -4.300 -10.129 1.00 1.97 H new ATOM 69 N ALA A 7 -16.650 -3.892 -13.330 1.00 1.94 N ATOM 70 CA ALA A 7 -15.566 -4.806 -13.827 1.00 2.11 C ATOM 71 C ALA A 7 -16.210 -5.988 -14.562 1.00 2.00 C ATOM 72 O ALA A 7 -17.061 -6.682 -14.030 1.00 2.25 O ATOM 73 CB ALA A 7 -14.701 -5.310 -12.666 1.00 2.13 C ATOM 0 H ALA A 7 -16.690 -2.988 -13.801 1.00 1.94 H new ATOM 0 HA ALA A 7 -14.919 -4.255 -14.510 1.00 2.11 H new ATOM 0 HB1 ALA A 7 -13.924 -5.970 -13.051 1.00 2.13 H new ATOM 0 HB2 ALA A 7 -14.239 -4.461 -12.161 1.00 2.13 H new ATOM 0 HB3 ALA A 7 -15.324 -5.858 -11.959 1.00 2.13 H new ATOM 79 N THR A 8 -15.831 -6.198 -15.796 1.00 1.87 N ATOM 80 CA THR A 8 -16.435 -7.304 -16.600 1.00 1.97 C ATOM 81 C THR A 8 -16.003 -8.685 -16.081 1.00 1.89 C ATOM 82 O THR A 8 -16.790 -9.614 -16.085 1.00 2.05 O ATOM 83 CB THR A 8 -16.021 -7.152 -18.070 1.00 2.04 C ATOM 84 OG1 THR A 8 -14.607 -7.032 -18.164 1.00 1.95 O ATOM 85 CG2 THR A 8 -16.682 -5.902 -18.657 1.00 2.27 C ATOM 0 H THR A 8 -15.125 -5.648 -16.285 1.00 1.87 H new ATOM 0 HA THR A 8 -17.519 -7.237 -16.507 1.00 1.97 H new ATOM 0 HB THR A 8 -16.342 -8.032 -18.628 1.00 2.04 H new ATOM 0 HG1 THR A 8 -14.349 -6.937 -19.105 1.00 1.95 H new ATOM 0 HG21 THR A 8 -16.389 -5.792 -19.701 1.00 2.27 H new ATOM 0 HG22 THR A 8 -17.766 -5.999 -18.592 1.00 2.27 H new ATOM 0 HG23 THR A 8 -16.362 -5.024 -18.096 1.00 2.27 H new ATOM 93 N THR A 9 -14.771 -8.841 -15.649 1.00 1.75 N ATOM 94 CA THR A 9 -14.317 -10.185 -15.155 1.00 1.77 C ATOM 95 C THR A 9 -14.205 -10.214 -13.621 1.00 1.91 C ATOM 96 O THR A 9 -14.186 -11.278 -13.027 1.00 2.40 O ATOM 97 CB THR A 9 -12.958 -10.544 -15.769 1.00 1.85 C ATOM 98 OG1 THR A 9 -12.086 -9.421 -15.710 1.00 2.12 O ATOM 99 CG2 THR A 9 -13.150 -10.973 -17.225 1.00 1.89 C ATOM 0 H THR A 9 -14.066 -8.104 -15.617 1.00 1.75 H new ATOM 0 HA THR A 9 -15.065 -10.916 -15.460 1.00 1.77 H new ATOM 0 HB THR A 9 -12.517 -11.366 -15.205 1.00 1.85 H new ATOM 0 HG1 THR A 9 -11.220 -9.658 -16.102 1.00 2.12 H new ATOM 0 HG21 THR A 9 -12.183 -11.228 -17.660 1.00 1.89 H new ATOM 0 HG22 THR A 9 -13.806 -11.842 -17.265 1.00 1.89 H new ATOM 0 HG23 THR A 9 -13.597 -10.155 -17.789 1.00 1.89 H new ATOM 107 N ALA A 10 -14.130 -9.073 -12.970 1.00 1.72 N ATOM 108 CA ALA A 10 -14.018 -9.072 -11.476 1.00 1.84 C ATOM 109 C ALA A 10 -15.398 -9.319 -10.859 1.00 1.59 C ATOM 110 O ALA A 10 -15.591 -10.269 -10.120 1.00 1.75 O ATOM 111 CB ALA A 10 -13.482 -7.726 -10.995 1.00 2.04 C ATOM 0 H ALA A 10 -14.142 -8.151 -13.406 1.00 1.72 H new ATOM 0 HA ALA A 10 -13.332 -9.862 -11.169 1.00 1.84 H new ATOM 0 HB1 ALA A 10 -13.403 -7.733 -9.908 1.00 2.04 H new ATOM 0 HB2 ALA A 10 -12.498 -7.550 -11.429 1.00 2.04 H new ATOM 0 HB3 ALA A 10 -14.162 -6.932 -11.304 1.00 2.04 H new ATOM 117 N GLY A 11 -16.353 -8.470 -11.158 1.00 1.37 N ATOM 118 CA GLY A 11 -17.725 -8.646 -10.598 1.00 1.22 C ATOM 119 C GLY A 11 -17.920 -7.724 -9.390 1.00 1.12 C ATOM 120 O GLY A 11 -17.878 -6.514 -9.513 1.00 1.24 O ATOM 0 H GLY A 11 -16.238 -7.661 -11.768 1.00 1.37 H new ATOM 0 HA2 GLY A 11 -18.470 -8.421 -11.361 1.00 1.22 H new ATOM 0 HA3 GLY A 11 -17.875 -9.684 -10.302 1.00 1.22 H new ATOM 124 N SER A 12 -18.144 -8.287 -8.226 1.00 1.06 N ATOM 125 CA SER A 12 -18.354 -7.441 -7.010 1.00 1.07 C ATOM 126 C SER A 12 -17.006 -6.906 -6.509 1.00 0.90 C ATOM 127 O SER A 12 -16.804 -5.707 -6.430 1.00 0.90 O ATOM 128 CB SER A 12 -19.036 -8.267 -5.913 1.00 1.22 C ATOM 129 OG SER A 12 -18.288 -9.450 -5.661 1.00 1.24 O ATOM 0 H SER A 12 -18.190 -9.293 -8.067 1.00 1.06 H new ATOM 0 HA SER A 12 -18.995 -6.597 -7.266 1.00 1.07 H new ATOM 0 HB2 SER A 12 -19.118 -7.677 -5.000 1.00 1.22 H new ATOM 0 HB3 SER A 12 -20.050 -8.526 -6.218 1.00 1.22 H new ATOM 0 HG SER A 12 -18.728 -9.972 -4.958 1.00 1.24 H new ATOM 135 N LYS A 13 -16.084 -7.782 -6.174 1.00 0.84 N ATOM 136 CA LYS A 13 -14.743 -7.328 -5.680 1.00 0.72 C ATOM 137 C LYS A 13 -13.631 -8.042 -6.468 1.00 0.66 C ATOM 138 O LYS A 13 -13.868 -9.029 -7.145 1.00 0.73 O ATOM 139 CB LYS A 13 -14.599 -7.651 -4.185 1.00 0.74 C ATOM 140 CG LYS A 13 -15.810 -7.112 -3.414 1.00 0.86 C ATOM 141 CD LYS A 13 -15.359 -6.565 -2.056 1.00 1.05 C ATOM 142 CE LYS A 13 -15.448 -7.668 -0.998 1.00 1.09 C ATOM 143 NZ LYS A 13 -14.501 -7.364 0.113 1.00 1.50 N ATOM 0 H LYS A 13 -16.204 -8.794 -6.222 1.00 0.84 H new ATOM 0 HA LYS A 13 -14.657 -6.251 -5.825 1.00 0.72 H new ATOM 0 HB2 LYS A 13 -14.517 -8.729 -4.043 1.00 0.74 H new ATOM 0 HB3 LYS A 13 -13.683 -7.208 -3.795 1.00 0.74 H new ATOM 0 HG2 LYS A 13 -16.298 -6.325 -3.989 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -16.544 -7.905 -3.271 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -14.336 -6.195 -2.124 1.00 1.05 H new ATOM 0 HD3 LYS A 13 -15.985 -5.720 -1.768 1.00 1.05 H new ATOM 0 HE2 LYS A 13 -16.466 -7.738 -0.614 1.00 1.09 H new ATOM 0 HE3 LYS A 13 -15.207 -8.634 -1.442 1.00 1.09 H new ATOM 0 HZ1 LYS A 13 -14.559 -8.112 0.833 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -13.531 -7.318 -0.260 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -14.751 -6.450 0.542 1.00 1.50 H new ATOM 157 N VAL A 14 -12.420 -7.545 -6.378 1.00 0.62 N ATOM 158 CA VAL A 14 -11.270 -8.172 -7.105 1.00 0.61 C ATOM 159 C VAL A 14 -10.322 -8.838 -6.095 1.00 0.59 C ATOM 160 O VAL A 14 -9.780 -8.188 -5.215 1.00 0.66 O ATOM 161 CB VAL A 14 -10.497 -7.102 -7.899 1.00 0.66 C ATOM 162 CG1 VAL A 14 -11.256 -6.755 -9.177 1.00 0.71 C ATOM 163 CG2 VAL A 14 -10.332 -5.833 -7.055 1.00 0.74 C ATOM 0 H VAL A 14 -12.177 -6.723 -5.826 1.00 0.62 H new ATOM 0 HA VAL A 14 -11.657 -8.921 -7.796 1.00 0.61 H new ATOM 0 HB VAL A 14 -9.514 -7.500 -8.151 1.00 0.66 H new ATOM 0 HG11 VAL A 14 -10.704 -5.998 -9.734 1.00 0.71 H new ATOM 0 HG12 VAL A 14 -11.364 -7.650 -9.790 1.00 0.71 H new ATOM 0 HG13 VAL A 14 -12.243 -6.369 -8.921 1.00 0.71 H new ATOM 0 HG21 VAL A 14 -9.784 -5.084 -7.627 1.00 0.74 H new ATOM 0 HG22 VAL A 14 -11.314 -5.441 -6.791 1.00 0.74 H new ATOM 0 HG23 VAL A 14 -9.780 -6.070 -6.146 1.00 0.74 H new ATOM 173 N THR A 15 -10.112 -10.130 -6.222 1.00 0.56 N ATOM 174 CA THR A 15 -9.194 -10.848 -5.281 1.00 0.55 C ATOM 175 C THR A 15 -7.822 -11.006 -5.952 1.00 0.50 C ATOM 176 O THR A 15 -7.729 -11.370 -7.112 1.00 0.57 O ATOM 177 CB THR A 15 -9.775 -12.230 -4.941 1.00 0.62 C ATOM 178 OG1 THR A 15 -11.091 -12.074 -4.424 1.00 0.76 O ATOM 179 CG2 THR A 15 -8.897 -12.917 -3.892 1.00 0.69 C ATOM 0 H THR A 15 -10.539 -10.717 -6.939 1.00 0.56 H new ATOM 0 HA THR A 15 -9.088 -10.277 -4.359 1.00 0.55 H new ATOM 0 HB THR A 15 -9.804 -12.841 -5.843 1.00 0.62 H new ATOM 0 HG1 THR A 15 -11.464 -12.954 -4.208 1.00 0.76 H new ATOM 0 HG21 THR A 15 -9.313 -13.896 -3.654 1.00 0.69 H new ATOM 0 HG22 THR A 15 -7.887 -13.037 -4.285 1.00 0.69 H new ATOM 0 HG23 THR A 15 -8.865 -12.308 -2.989 1.00 0.69 H new ATOM 187 N PHE A 16 -6.761 -10.718 -5.233 1.00 0.52 N ATOM 188 CA PHE A 16 -5.391 -10.827 -5.826 1.00 0.50 C ATOM 189 C PHE A 16 -4.555 -11.855 -5.058 1.00 0.49 C ATOM 190 O PHE A 16 -4.526 -11.865 -3.840 1.00 0.55 O ATOM 191 CB PHE A 16 -4.693 -9.464 -5.756 1.00 0.56 C ATOM 192 CG PHE A 16 -5.562 -8.406 -6.398 1.00 0.51 C ATOM 193 CD1 PHE A 16 -5.681 -8.349 -7.790 1.00 0.56 C ATOM 194 CD2 PHE A 16 -6.248 -7.482 -5.599 1.00 0.59 C ATOM 195 CE1 PHE A 16 -6.485 -7.372 -8.386 1.00 0.62 C ATOM 196 CE2 PHE A 16 -7.052 -6.504 -6.195 1.00 0.64 C ATOM 197 CZ PHE A 16 -7.169 -6.449 -7.587 1.00 0.62 C ATOM 0 H PHE A 16 -6.786 -10.412 -4.260 1.00 0.52 H new ATOM 0 HA PHE A 16 -5.486 -11.147 -6.864 1.00 0.50 H new ATOM 0 HB2 PHE A 16 -4.493 -9.201 -4.717 1.00 0.56 H new ATOM 0 HB3 PHE A 16 -3.730 -9.513 -6.264 1.00 0.56 H new ATOM 0 HD1 PHE A 16 -5.151 -9.061 -8.406 1.00 0.56 H new ATOM 0 HD2 PHE A 16 -6.156 -7.524 -4.524 1.00 0.59 H new ATOM 0 HE1 PHE A 16 -6.578 -7.330 -9.461 1.00 0.62 H new ATOM 0 HE2 PHE A 16 -7.582 -5.792 -5.580 1.00 0.64 H new ATOM 0 HZ PHE A 16 -7.788 -5.693 -8.046 1.00 0.62 H new ATOM 207 N LYS A 17 -3.858 -12.703 -5.774 1.00 0.51 N ATOM 208 CA LYS A 17 -2.992 -13.732 -5.123 1.00 0.51 C ATOM 209 C LYS A 17 -1.527 -13.331 -5.331 1.00 0.46 C ATOM 210 O LYS A 17 -0.992 -13.447 -6.419 1.00 0.49 O ATOM 211 CB LYS A 17 -3.253 -15.102 -5.759 1.00 0.56 C ATOM 212 CG LYS A 17 -3.381 -16.162 -4.661 1.00 0.98 C ATOM 213 CD LYS A 17 -3.297 -17.555 -5.289 1.00 1.41 C ATOM 214 CE LYS A 17 -3.510 -18.618 -4.209 1.00 1.67 C ATOM 215 NZ LYS A 17 -2.351 -19.553 -4.191 1.00 2.03 N ATOM 0 H LYS A 17 -3.853 -12.725 -6.794 1.00 0.51 H new ATOM 0 HA LYS A 17 -3.214 -13.793 -4.058 1.00 0.51 H new ATOM 0 HB2 LYS A 17 -4.165 -15.070 -6.355 1.00 0.56 H new ATOM 0 HB3 LYS A 17 -2.439 -15.361 -6.436 1.00 0.56 H new ATOM 0 HG2 LYS A 17 -2.589 -16.035 -3.923 1.00 0.98 H new ATOM 0 HG3 LYS A 17 -4.328 -16.044 -4.135 1.00 0.98 H new ATOM 0 HD2 LYS A 17 -4.050 -17.659 -6.070 1.00 1.41 H new ATOM 0 HD3 LYS A 17 -2.325 -17.693 -5.763 1.00 1.41 H new ATOM 0 HE2 LYS A 17 -3.622 -18.143 -3.234 1.00 1.67 H new ATOM 0 HE3 LYS A 17 -4.431 -19.168 -4.403 1.00 1.67 H new ATOM 0 HZ1 LYS A 17 -2.498 -20.274 -3.456 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 -2.264 -20.016 -5.118 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 -1.480 -19.023 -3.986 1.00 2.03 H new ATOM 229 N ILE A 18 -0.884 -12.837 -4.299 1.00 0.44 N ATOM 230 CA ILE A 18 0.540 -12.399 -4.434 1.00 0.42 C ATOM 231 C ILE A 18 1.471 -13.390 -3.717 1.00 0.42 C ATOM 232 O ILE A 18 1.280 -13.710 -2.559 1.00 0.51 O ATOM 233 CB ILE A 18 0.699 -11.003 -3.815 1.00 0.43 C ATOM 234 CG1 ILE A 18 -0.320 -10.037 -4.436 1.00 0.45 C ATOM 235 CG2 ILE A 18 2.108 -10.482 -4.087 1.00 0.52 C ATOM 236 CD1 ILE A 18 -1.281 -9.536 -3.355 1.00 0.59 C ATOM 0 H ILE A 18 -1.285 -12.719 -3.369 1.00 0.44 H new ATOM 0 HA ILE A 18 0.807 -12.368 -5.490 1.00 0.42 H new ATOM 0 HB ILE A 18 0.529 -11.070 -2.740 1.00 0.43 H new ATOM 0 HG12 ILE A 18 0.197 -9.194 -4.896 1.00 0.45 H new ATOM 0 HG13 ILE A 18 -0.877 -10.540 -5.227 1.00 0.45 H new ATOM 0 HG21 ILE A 18 2.221 -9.491 -3.647 1.00 0.52 H new ATOM 0 HG22 ILE A 18 2.838 -11.160 -3.645 1.00 0.52 H new ATOM 0 HG23 ILE A 18 2.273 -10.423 -5.163 1.00 0.52 H new ATOM 0 HD11 ILE A 18 -2.003 -8.851 -3.799 1.00 0.59 H new ATOM 0 HD12 ILE A 18 -1.808 -10.383 -2.915 1.00 0.59 H new ATOM 0 HD13 ILE A 18 -0.718 -9.017 -2.579 1.00 0.59 H new ATOM 248 N THR A 19 2.482 -13.867 -4.408 1.00 0.44 N ATOM 249 CA THR A 19 3.452 -14.832 -3.794 1.00 0.49 C ATOM 250 C THR A 19 4.848 -14.191 -3.745 1.00 0.45 C ATOM 251 O THR A 19 5.273 -13.547 -4.690 1.00 0.50 O ATOM 252 CB THR A 19 3.513 -16.116 -4.638 1.00 0.55 C ATOM 253 OG1 THR A 19 3.937 -15.800 -5.960 1.00 0.62 O ATOM 254 CG2 THR A 19 2.131 -16.770 -4.693 1.00 0.67 C ATOM 0 H THR A 19 2.678 -13.626 -5.380 1.00 0.44 H new ATOM 0 HA THR A 19 3.124 -15.078 -2.784 1.00 0.49 H new ATOM 0 HB THR A 19 4.222 -16.807 -4.182 1.00 0.55 H new ATOM 0 HG1 THR A 19 3.977 -16.620 -6.496 1.00 0.62 H new ATOM 0 HG21 THR A 19 2.182 -17.679 -5.293 1.00 0.67 H new ATOM 0 HG22 THR A 19 1.806 -17.019 -3.683 1.00 0.67 H new ATOM 0 HG23 THR A 19 1.419 -16.078 -5.143 1.00 0.67 H new ATOM 262 N LEU A 20 5.570 -14.370 -2.659 1.00 0.48 N ATOM 263 CA LEU A 20 6.942 -13.776 -2.562 1.00 0.48 C ATOM 264 C LEU A 20 7.866 -14.494 -3.555 1.00 0.45 C ATOM 265 O LEU A 20 7.972 -15.708 -3.554 1.00 0.57 O ATOM 266 CB LEU A 20 7.487 -13.935 -1.135 1.00 0.57 C ATOM 267 CG LEU A 20 8.059 -12.600 -0.637 1.00 0.63 C ATOM 268 CD1 LEU A 20 9.192 -12.139 -1.558 1.00 0.69 C ATOM 269 CD2 LEU A 20 6.956 -11.536 -0.620 1.00 0.63 C ATOM 0 H LEU A 20 5.268 -14.899 -1.841 1.00 0.48 H new ATOM 0 HA LEU A 20 6.897 -12.713 -2.801 1.00 0.48 H new ATOM 0 HB2 LEU A 20 6.692 -14.270 -0.469 1.00 0.57 H new ATOM 0 HB3 LEU A 20 8.262 -14.701 -1.117 1.00 0.57 H new ATOM 0 HG LEU A 20 8.448 -12.739 0.372 1.00 0.63 H new ATOM 0 HD11 LEU A 20 9.592 -11.191 -1.197 1.00 0.69 H new ATOM 0 HD12 LEU A 20 9.984 -12.888 -1.564 1.00 0.69 H new ATOM 0 HD13 LEU A 20 8.808 -12.009 -2.570 1.00 0.69 H new ATOM 0 HD21 LEU A 20 7.368 -10.591 -0.266 1.00 0.63 H new ATOM 0 HD22 LEU A 20 6.561 -11.405 -1.628 1.00 0.63 H new ATOM 0 HD23 LEU A 20 6.154 -11.854 0.045 1.00 0.63 H new ATOM 281 N THR A 21 8.518 -13.748 -4.416 1.00 0.44 N ATOM 282 CA THR A 21 9.420 -14.369 -5.437 1.00 0.47 C ATOM 283 C THR A 21 10.821 -14.615 -4.854 1.00 0.52 C ATOM 284 O THR A 21 11.406 -15.662 -5.070 1.00 0.65 O ATOM 285 CB THR A 21 9.529 -13.441 -6.655 1.00 0.54 C ATOM 286 OG1 THR A 21 9.866 -12.124 -6.232 1.00 0.63 O ATOM 287 CG2 THR A 21 8.191 -13.411 -7.398 1.00 0.72 C ATOM 0 H THR A 21 8.463 -12.730 -4.455 1.00 0.44 H new ATOM 0 HA THR A 21 8.996 -15.328 -5.736 1.00 0.47 H new ATOM 0 HB THR A 21 10.308 -13.815 -7.320 1.00 0.54 H new ATOM 0 HG1 THR A 21 10.243 -11.625 -6.986 1.00 0.63 H new ATOM 0 HG21 THR A 21 8.270 -12.752 -8.263 1.00 0.72 H new ATOM 0 HG22 THR A 21 7.937 -14.417 -7.731 1.00 0.72 H new ATOM 0 HG23 THR A 21 7.412 -13.042 -6.730 1.00 0.72 H new ATOM 295 N SER A 22 11.369 -13.659 -4.137 1.00 0.55 N ATOM 296 CA SER A 22 12.743 -13.834 -3.562 1.00 0.69 C ATOM 297 C SER A 22 12.732 -14.874 -2.435 1.00 0.69 C ATOM 298 O SER A 22 13.597 -15.730 -2.378 1.00 1.01 O ATOM 299 CB SER A 22 13.249 -12.497 -3.017 1.00 0.89 C ATOM 300 OG SER A 22 14.048 -11.865 -4.008 1.00 1.31 O ATOM 0 H SER A 22 10.924 -12.766 -3.926 1.00 0.55 H new ATOM 0 HA SER A 22 13.406 -14.183 -4.354 1.00 0.69 H new ATOM 0 HB2 SER A 22 12.408 -11.858 -2.748 1.00 0.89 H new ATOM 0 HB3 SER A 22 13.831 -12.657 -2.110 1.00 0.89 H new ATOM 0 HG SER A 22 14.988 -11.884 -3.732 1.00 1.31 H new ATOM 306 N ASP A 23 11.775 -14.804 -1.538 1.00 0.75 N ATOM 307 CA ASP A 23 11.727 -15.787 -0.412 1.00 0.89 C ATOM 308 C ASP A 23 10.708 -16.895 -0.720 1.00 0.84 C ATOM 309 O ASP A 23 9.516 -16.645 -0.763 1.00 0.72 O ATOM 310 CB ASP A 23 11.325 -15.065 0.880 1.00 1.05 C ATOM 311 CG ASP A 23 12.197 -15.563 2.036 1.00 1.83 C ATOM 312 OD1 ASP A 23 11.829 -16.550 2.651 1.00 2.36 O ATOM 313 OD2 ASP A 23 13.221 -14.945 2.288 1.00 2.42 O ATOM 0 H ASP A 23 11.028 -14.110 -1.539 1.00 0.75 H new ATOM 0 HA ASP A 23 12.713 -16.236 -0.290 1.00 0.89 H new ATOM 0 HB2 ASP A 23 11.443 -13.988 0.759 1.00 1.05 H new ATOM 0 HB3 ASP A 23 10.273 -15.248 1.099 1.00 1.05 H new ATOM 318 N PRO A 24 11.213 -18.096 -0.917 1.00 1.06 N ATOM 319 CA PRO A 24 10.376 -19.277 -1.214 1.00 1.18 C ATOM 320 C PRO A 24 9.711 -19.805 0.068 1.00 1.18 C ATOM 321 O PRO A 24 8.626 -20.355 0.026 1.00 1.20 O ATOM 322 CB PRO A 24 11.375 -20.292 -1.778 1.00 1.50 C ATOM 323 CG PRO A 24 12.767 -19.874 -1.251 1.00 1.58 C ATOM 324 CD PRO A 24 12.663 -18.387 -0.865 1.00 1.31 C ATOM 0 HA PRO A 24 9.561 -19.063 -1.905 1.00 1.18 H new ATOM 0 HB2 PRO A 24 11.125 -21.303 -1.456 1.00 1.50 H new ATOM 0 HB3 PRO A 24 11.356 -20.291 -2.868 1.00 1.50 H new ATOM 0 HG2 PRO A 24 13.053 -20.479 -0.390 1.00 1.58 H new ATOM 0 HG3 PRO A 24 13.531 -20.024 -2.014 1.00 1.58 H new ATOM 0 HD2 PRO A 24 13.070 -18.205 0.130 1.00 1.31 H new ATOM 0 HD3 PRO A 24 13.220 -17.756 -1.558 1.00 1.31 H new ATOM 332 N LYS A 25 10.353 -19.635 1.205 1.00 1.24 N ATOM 333 CA LYS A 25 9.766 -20.116 2.495 1.00 1.31 C ATOM 334 C LYS A 25 8.491 -19.322 2.818 1.00 1.11 C ATOM 335 O LYS A 25 7.531 -19.864 3.336 1.00 1.11 O ATOM 336 CB LYS A 25 10.787 -19.918 3.619 1.00 1.53 C ATOM 337 CG LYS A 25 10.560 -20.963 4.717 1.00 1.75 C ATOM 338 CD LYS A 25 10.735 -20.308 6.090 1.00 1.82 C ATOM 339 CE LYS A 25 9.359 -20.065 6.719 1.00 2.16 C ATOM 340 NZ LYS A 25 8.961 -18.642 6.514 1.00 2.50 N ATOM 0 H LYS A 25 11.262 -19.181 1.291 1.00 1.24 H new ATOM 0 HA LYS A 25 9.516 -21.173 2.405 1.00 1.31 H new ATOM 0 HB2 LYS A 25 11.799 -20.007 3.223 1.00 1.53 H new ATOM 0 HB3 LYS A 25 10.694 -18.915 4.034 1.00 1.53 H new ATOM 0 HG2 LYS A 25 9.560 -21.387 4.629 1.00 1.75 H new ATOM 0 HG3 LYS A 25 11.266 -21.786 4.602 1.00 1.75 H new ATOM 0 HD2 LYS A 25 11.334 -20.949 6.737 1.00 1.82 H new ATOM 0 HD3 LYS A 25 11.272 -19.365 5.989 1.00 1.82 H new ATOM 0 HE2 LYS A 25 8.620 -20.728 6.270 1.00 2.16 H new ATOM 0 HE3 LYS A 25 9.389 -20.295 7.784 1.00 2.16 H new ATOM 0 HZ1 LYS A 25 8.027 -18.478 6.941 1.00 2.50 H new ATOM 0 HZ2 LYS A 25 9.661 -18.018 6.962 1.00 2.50 H new ATOM 0 HZ3 LYS A 25 8.917 -18.437 5.495 1.00 2.50 H new ATOM 354 N LEU A 26 8.478 -18.040 2.516 1.00 0.99 N ATOM 355 CA LEU A 26 7.272 -17.198 2.803 1.00 0.89 C ATOM 356 C LEU A 26 6.075 -17.697 1.972 1.00 0.78 C ATOM 357 O LEU A 26 6.205 -17.936 0.783 1.00 0.84 O ATOM 358 CB LEU A 26 7.576 -15.738 2.447 1.00 0.89 C ATOM 359 CG LEU A 26 7.946 -14.966 3.718 1.00 0.85 C ATOM 360 CD1 LEU A 26 9.320 -14.318 3.547 1.00 1.34 C ATOM 361 CD2 LEU A 26 6.902 -13.878 3.977 1.00 1.35 C ATOM 0 H LEU A 26 9.255 -17.542 2.082 1.00 0.99 H new ATOM 0 HA LEU A 26 7.024 -17.271 3.862 1.00 0.89 H new ATOM 0 HB2 LEU A 26 8.395 -15.691 1.729 1.00 0.89 H new ATOM 0 HB3 LEU A 26 6.708 -15.281 1.971 1.00 0.89 H new ATOM 0 HG LEU A 26 7.973 -15.656 4.562 1.00 0.85 H new ATOM 0 HD11 LEU A 26 9.579 -13.770 4.453 1.00 1.34 H new ATOM 0 HD12 LEU A 26 10.067 -15.091 3.364 1.00 1.34 H new ATOM 0 HD13 LEU A 26 9.295 -13.630 2.702 1.00 1.34 H new ATOM 0 HD21 LEU A 26 7.165 -13.329 4.881 1.00 1.35 H new ATOM 0 HD22 LEU A 26 6.874 -13.192 3.131 1.00 1.35 H new ATOM 0 HD23 LEU A 26 5.922 -14.337 4.104 1.00 1.35 H new ATOM 373 N PRO A 27 4.941 -17.845 2.631 1.00 0.75 N ATOM 374 CA PRO A 27 3.693 -18.323 1.992 1.00 0.82 C ATOM 375 C PRO A 27 3.015 -17.212 1.172 1.00 0.78 C ATOM 376 O PRO A 27 3.276 -16.037 1.361 1.00 0.97 O ATOM 377 CB PRO A 27 2.819 -18.736 3.181 1.00 0.95 C ATOM 378 CG PRO A 27 3.357 -17.969 4.411 1.00 0.94 C ATOM 379 CD PRO A 27 4.799 -17.548 4.074 1.00 0.83 C ATOM 0 HA PRO A 27 3.869 -19.135 1.286 1.00 0.82 H new ATOM 0 HB2 PRO A 27 1.773 -18.489 2.997 1.00 0.95 H new ATOM 0 HB3 PRO A 27 2.869 -19.813 3.343 1.00 0.95 H new ATOM 0 HG2 PRO A 27 2.739 -17.097 4.624 1.00 0.94 H new ATOM 0 HG3 PRO A 27 3.336 -18.599 5.300 1.00 0.94 H new ATOM 0 HD2 PRO A 27 4.963 -16.490 4.280 1.00 0.83 H new ATOM 0 HD3 PRO A 27 5.524 -18.104 4.668 1.00 0.83 H new ATOM 387 N PHE A 28 2.146 -17.588 0.260 1.00 0.68 N ATOM 388 CA PHE A 28 1.439 -16.576 -0.595 1.00 0.67 C ATOM 389 C PHE A 28 0.420 -15.779 0.238 1.00 0.61 C ATOM 390 O PHE A 28 0.036 -16.180 1.323 1.00 0.68 O ATOM 391 CB PHE A 28 0.720 -17.287 -1.756 1.00 0.76 C ATOM 392 CG PHE A 28 -0.365 -18.208 -1.237 1.00 0.80 C ATOM 393 CD1 PHE A 28 -1.658 -17.715 -1.015 1.00 0.83 C ATOM 394 CD2 PHE A 28 -0.081 -19.558 -0.990 1.00 0.93 C ATOM 395 CE1 PHE A 28 -2.662 -18.569 -0.546 1.00 0.98 C ATOM 396 CE2 PHE A 28 -1.085 -20.411 -0.522 1.00 1.06 C ATOM 397 CZ PHE A 28 -2.376 -19.918 -0.300 1.00 1.08 C ATOM 0 H PHE A 28 1.895 -18.558 0.070 1.00 0.68 H new ATOM 0 HA PHE A 28 2.178 -15.882 -0.995 1.00 0.67 H new ATOM 0 HB2 PHE A 28 0.284 -16.547 -2.427 1.00 0.76 H new ATOM 0 HB3 PHE A 28 1.441 -17.860 -2.339 1.00 0.76 H new ATOM 0 HD1 PHE A 28 -1.879 -16.675 -1.206 1.00 0.83 H new ATOM 0 HD2 PHE A 28 0.915 -19.940 -1.161 1.00 0.93 H new ATOM 0 HE1 PHE A 28 -3.658 -18.188 -0.374 1.00 0.98 H new ATOM 0 HE2 PHE A 28 -0.864 -21.451 -0.332 1.00 1.06 H new ATOM 0 HZ PHE A 28 -3.151 -20.577 0.061 1.00 1.08 H new ATOM 407 N LYS A 29 -0.014 -14.649 -0.275 1.00 0.61 N ATOM 408 CA LYS A 29 -1.005 -13.798 0.456 1.00 0.61 C ATOM 409 C LYS A 29 -2.189 -13.474 -0.467 1.00 0.60 C ATOM 410 O LYS A 29 -2.009 -13.031 -1.589 1.00 0.67 O ATOM 411 CB LYS A 29 -0.327 -12.494 0.894 1.00 0.69 C ATOM 412 CG LYS A 29 -0.216 -12.454 2.420 1.00 0.88 C ATOM 413 CD LYS A 29 1.168 -12.960 2.840 1.00 0.90 C ATOM 414 CE LYS A 29 1.079 -13.620 4.218 1.00 1.26 C ATOM 415 NZ LYS A 29 2.268 -14.493 4.442 1.00 1.66 N ATOM 0 H LYS A 29 0.281 -14.278 -1.178 1.00 0.61 H new ATOM 0 HA LYS A 29 -1.368 -14.335 1.332 1.00 0.61 H new ATOM 0 HB2 LYS A 29 0.664 -12.421 0.446 1.00 0.69 H new ATOM 0 HB3 LYS A 29 -0.901 -11.638 0.539 1.00 0.69 H new ATOM 0 HG2 LYS A 29 -0.369 -11.437 2.781 1.00 0.88 H new ATOM 0 HG3 LYS A 29 -0.994 -13.072 2.869 1.00 0.88 H new ATOM 0 HD2 LYS A 29 1.542 -13.675 2.107 1.00 0.90 H new ATOM 0 HD3 LYS A 29 1.876 -12.132 2.868 1.00 0.90 H new ATOM 0 HE2 LYS A 29 1.027 -12.856 4.994 1.00 1.26 H new ATOM 0 HE3 LYS A 29 0.165 -14.210 4.290 1.00 1.26 H new ATOM 0 HZ1 LYS A 29 2.176 -14.977 5.358 1.00 1.66 H new ATOM 0 HZ2 LYS A 29 2.328 -15.200 3.681 1.00 1.66 H new ATOM 0 HZ3 LYS A 29 3.130 -13.912 4.443 1.00 1.66 H new ATOM 429 N VAL A 30 -3.397 -13.688 0.005 1.00 0.62 N ATOM 430 CA VAL A 30 -4.608 -13.393 -0.825 1.00 0.65 C ATOM 431 C VAL A 30 -5.273 -12.110 -0.312 1.00 0.64 C ATOM 432 O VAL A 30 -5.617 -12.002 0.854 1.00 0.78 O ATOM 433 CB VAL A 30 -5.597 -14.564 -0.728 1.00 0.76 C ATOM 434 CG1 VAL A 30 -6.794 -14.311 -1.650 1.00 0.91 C ATOM 435 CG2 VAL A 30 -4.900 -15.860 -1.151 1.00 0.85 C ATOM 0 H VAL A 30 -3.595 -14.057 0.935 1.00 0.62 H new ATOM 0 HA VAL A 30 -4.314 -13.259 -1.866 1.00 0.65 H new ATOM 0 HB VAL A 30 -5.945 -14.653 0.301 1.00 0.76 H new ATOM 0 HG11 VAL A 30 -7.492 -15.145 -1.577 1.00 0.91 H new ATOM 0 HG12 VAL A 30 -7.296 -13.391 -1.351 1.00 0.91 H new ATOM 0 HG13 VAL A 30 -6.447 -14.217 -2.679 1.00 0.91 H new ATOM 0 HG21 VAL A 30 -5.603 -16.690 -1.082 1.00 0.85 H new ATOM 0 HG22 VAL A 30 -4.550 -15.766 -2.179 1.00 0.85 H new ATOM 0 HG23 VAL A 30 -4.051 -16.048 -0.494 1.00 0.85 H new ATOM 445 N LEU A 31 -5.451 -11.136 -1.175 1.00 0.58 N ATOM 446 CA LEU A 31 -6.086 -9.850 -0.755 1.00 0.58 C ATOM 447 C LEU A 31 -7.428 -9.676 -1.476 1.00 0.56 C ATOM 448 O LEU A 31 -7.479 -9.540 -2.687 1.00 0.59 O ATOM 449 CB LEU A 31 -5.157 -8.684 -1.111 1.00 0.58 C ATOM 450 CG LEU A 31 -4.643 -8.020 0.171 1.00 0.67 C ATOM 451 CD1 LEU A 31 -3.113 -8.011 0.165 1.00 0.94 C ATOM 452 CD2 LEU A 31 -5.160 -6.581 0.244 1.00 0.90 C ATOM 0 H LEU A 31 -5.181 -11.180 -2.158 1.00 0.58 H new ATOM 0 HA LEU A 31 -6.257 -9.865 0.321 1.00 0.58 H new ATOM 0 HB2 LEU A 31 -4.318 -9.044 -1.706 1.00 0.58 H new ATOM 0 HB3 LEU A 31 -5.691 -7.955 -1.720 1.00 0.58 H new ATOM 0 HG LEU A 31 -5.000 -8.579 1.036 1.00 0.67 H new ATOM 0 HD11 LEU A 31 -2.748 -7.539 1.077 1.00 0.94 H new ATOM 0 HD12 LEU A 31 -2.743 -9.035 0.114 1.00 0.94 H new ATOM 0 HD13 LEU A 31 -2.756 -7.453 -0.700 1.00 0.94 H new ATOM 0 HD21 LEU A 31 -4.794 -6.109 1.156 1.00 0.90 H new ATOM 0 HD22 LEU A 31 -4.804 -6.022 -0.622 1.00 0.90 H new ATOM 0 HD23 LEU A 31 -6.250 -6.586 0.250 1.00 0.90 H new ATOM 464 N SER A 32 -8.514 -9.676 -0.737 1.00 0.60 N ATOM 465 CA SER A 32 -9.863 -9.507 -1.364 1.00 0.63 C ATOM 466 C SER A 32 -10.370 -8.080 -1.104 1.00 0.63 C ATOM 467 O SER A 32 -10.744 -7.733 0.004 1.00 0.73 O ATOM 468 CB SER A 32 -10.843 -10.529 -0.773 1.00 0.72 C ATOM 469 OG SER A 32 -10.811 -10.463 0.648 1.00 0.82 O ATOM 0 H SER A 32 -8.522 -9.786 0.277 1.00 0.60 H new ATOM 0 HA SER A 32 -9.788 -9.672 -2.439 1.00 0.63 H new ATOM 0 HB2 SER A 32 -11.852 -10.329 -1.133 1.00 0.72 H new ATOM 0 HB3 SER A 32 -10.580 -11.533 -1.105 1.00 0.72 H new ATOM 0 HG SER A 32 -10.792 -9.525 0.932 1.00 0.82 H new ATOM 475 N VAL A 33 -10.379 -7.253 -2.122 1.00 0.57 N ATOM 476 CA VAL A 33 -10.854 -5.840 -1.959 1.00 0.58 C ATOM 477 C VAL A 33 -11.785 -5.472 -3.123 1.00 0.59 C ATOM 478 O VAL A 33 -11.736 -6.092 -4.165 1.00 0.60 O ATOM 479 CB VAL A 33 -9.651 -4.883 -1.953 1.00 0.55 C ATOM 480 CG1 VAL A 33 -8.856 -5.058 -0.656 1.00 0.67 C ATOM 481 CG2 VAL A 33 -8.743 -5.181 -3.153 1.00 0.58 C ATOM 0 H VAL A 33 -10.076 -7.497 -3.065 1.00 0.57 H new ATOM 0 HA VAL A 33 -11.393 -5.753 -1.016 1.00 0.58 H new ATOM 0 HB VAL A 33 -10.013 -3.857 -2.020 1.00 0.55 H new ATOM 0 HG11 VAL A 33 -8.004 -4.378 -0.657 1.00 0.67 H new ATOM 0 HG12 VAL A 33 -9.497 -4.836 0.197 1.00 0.67 H new ATOM 0 HG13 VAL A 33 -8.499 -6.085 -0.584 1.00 0.67 H new ATOM 0 HG21 VAL A 33 -7.892 -4.500 -3.144 1.00 0.58 H new ATOM 0 HG22 VAL A 33 -8.385 -6.209 -3.092 1.00 0.58 H new ATOM 0 HG23 VAL A 33 -9.305 -5.046 -4.077 1.00 0.58 H new ATOM 491 N PRO A 34 -12.601 -4.461 -2.915 1.00 0.62 N ATOM 492 CA PRO A 34 -13.550 -3.981 -3.942 1.00 0.65 C ATOM 493 C PRO A 34 -12.814 -3.196 -5.037 1.00 0.63 C ATOM 494 O PRO A 34 -11.680 -2.782 -4.865 1.00 0.60 O ATOM 495 CB PRO A 34 -14.506 -3.078 -3.157 1.00 0.72 C ATOM 496 CG PRO A 34 -13.749 -2.647 -1.880 1.00 0.71 C ATOM 497 CD PRO A 34 -12.649 -3.700 -1.647 1.00 0.65 C ATOM 0 HA PRO A 34 -14.068 -4.790 -4.457 1.00 0.65 H new ATOM 0 HB2 PRO A 34 -14.794 -2.210 -3.749 1.00 0.72 H new ATOM 0 HB3 PRO A 34 -15.423 -3.610 -2.904 1.00 0.72 H new ATOM 0 HG2 PRO A 34 -13.316 -1.654 -2.002 1.00 0.71 H new ATOM 0 HG3 PRO A 34 -14.425 -2.597 -1.027 1.00 0.71 H new ATOM 0 HD2 PRO A 34 -11.690 -3.232 -1.427 1.00 0.65 H new ATOM 0 HD3 PRO A 34 -12.889 -4.347 -0.803 1.00 0.65 H new ATOM 505 N GLU A 35 -13.459 -2.993 -6.164 1.00 0.69 N ATOM 506 CA GLU A 35 -12.817 -2.239 -7.289 1.00 0.71 C ATOM 507 C GLU A 35 -12.460 -0.817 -6.835 1.00 0.71 C ATOM 508 O GLU A 35 -11.500 -0.235 -7.309 1.00 0.74 O ATOM 509 CB GLU A 35 -13.783 -2.172 -8.478 1.00 0.81 C ATOM 510 CG GLU A 35 -13.614 -3.425 -9.347 1.00 0.81 C ATOM 511 CD GLU A 35 -14.563 -4.527 -8.861 1.00 0.88 C ATOM 512 OE1 GLU A 35 -15.682 -4.576 -9.343 1.00 1.08 O ATOM 513 OE2 GLU A 35 -14.152 -5.307 -8.017 1.00 0.90 O ATOM 0 H GLU A 35 -14.407 -3.319 -6.353 1.00 0.69 H new ATOM 0 HA GLU A 35 -11.905 -2.755 -7.588 1.00 0.71 H new ATOM 0 HB2 GLU A 35 -14.811 -2.100 -8.122 1.00 0.81 H new ATOM 0 HB3 GLU A 35 -13.587 -1.277 -9.069 1.00 0.81 H new ATOM 0 HG2 GLU A 35 -13.823 -3.186 -10.390 1.00 0.81 H new ATOM 0 HG3 GLU A 35 -12.583 -3.774 -9.301 1.00 0.81 H new ATOM 520 N SER A 36 -13.220 -0.257 -5.917 1.00 0.73 N ATOM 521 CA SER A 36 -12.928 1.124 -5.419 1.00 0.75 C ATOM 522 C SER A 36 -11.526 1.167 -4.795 1.00 0.66 C ATOM 523 O SER A 36 -10.802 2.134 -4.954 1.00 0.70 O ATOM 524 CB SER A 36 -13.964 1.517 -4.363 1.00 0.82 C ATOM 525 OG SER A 36 -14.769 2.576 -4.866 1.00 1.21 O ATOM 0 H SER A 36 -14.033 -0.703 -5.492 1.00 0.73 H new ATOM 0 HA SER A 36 -12.973 1.822 -6.255 1.00 0.75 H new ATOM 0 HB2 SER A 36 -14.587 0.659 -4.111 1.00 0.82 H new ATOM 0 HB3 SER A 36 -13.465 1.828 -3.445 1.00 0.82 H new ATOM 0 HG SER A 36 -15.435 2.829 -4.193 1.00 1.21 H new ATOM 531 N THR A 37 -11.142 0.124 -4.090 1.00 0.59 N ATOM 532 CA THR A 37 -9.787 0.090 -3.453 1.00 0.52 C ATOM 533 C THR A 37 -8.709 0.103 -4.549 1.00 0.48 C ATOM 534 O THR A 37 -8.726 -0.728 -5.437 1.00 0.51 O ATOM 535 CB THR A 37 -9.653 -1.185 -2.607 1.00 0.54 C ATOM 536 OG1 THR A 37 -10.656 -1.194 -1.596 1.00 0.63 O ATOM 537 CG2 THR A 37 -8.269 -1.234 -1.952 1.00 0.59 C ATOM 0 H THR A 37 -11.713 -0.706 -3.930 1.00 0.59 H new ATOM 0 HA THR A 37 -9.660 0.962 -2.812 1.00 0.52 H new ATOM 0 HB THR A 37 -9.776 -2.055 -3.252 1.00 0.54 H new ATOM 0 HG1 THR A 37 -10.332 -1.694 -0.818 1.00 0.63 H new ATOM 0 HG21 THR A 37 -8.182 -2.141 -1.354 1.00 0.59 H new ATOM 0 HG22 THR A 37 -7.500 -1.234 -2.725 1.00 0.59 H new ATOM 0 HG23 THR A 37 -8.139 -0.362 -1.311 1.00 0.59 H new ATOM 545 N PRO A 38 -7.804 1.055 -4.456 1.00 0.45 N ATOM 546 CA PRO A 38 -6.704 1.210 -5.431 1.00 0.46 C ATOM 547 C PRO A 38 -5.576 0.202 -5.158 1.00 0.41 C ATOM 548 O PRO A 38 -5.452 -0.333 -4.068 1.00 0.43 O ATOM 549 CB PRO A 38 -6.217 2.642 -5.196 1.00 0.49 C ATOM 550 CG PRO A 38 -6.650 3.022 -3.759 1.00 0.49 C ATOM 551 CD PRO A 38 -7.793 2.064 -3.375 1.00 0.48 C ATOM 0 HA PRO A 38 -7.023 1.029 -6.457 1.00 0.46 H new ATOM 0 HB2 PRO A 38 -5.134 2.707 -5.305 1.00 0.49 H new ATOM 0 HB3 PRO A 38 -6.652 3.325 -5.926 1.00 0.49 H new ATOM 0 HG2 PRO A 38 -5.815 2.927 -3.065 1.00 0.49 H new ATOM 0 HG3 PRO A 38 -6.983 4.059 -3.716 1.00 0.49 H new ATOM 0 HD2 PRO A 38 -7.616 1.603 -2.403 1.00 0.48 H new ATOM 0 HD3 PRO A 38 -8.746 2.588 -3.311 1.00 0.48 H new ATOM 559 N PHE A 39 -4.746 -0.047 -6.147 1.00 0.42 N ATOM 560 CA PHE A 39 -3.610 -1.004 -5.966 1.00 0.40 C ATOM 561 C PHE A 39 -2.625 -0.456 -4.922 1.00 0.37 C ATOM 562 O PHE A 39 -1.855 -1.200 -4.349 1.00 0.39 O ATOM 563 CB PHE A 39 -2.884 -1.208 -7.302 1.00 0.46 C ATOM 564 CG PHE A 39 -2.105 -2.507 -7.266 1.00 0.42 C ATOM 565 CD1 PHE A 39 -2.761 -3.712 -6.976 1.00 0.46 C ATOM 566 CD2 PHE A 39 -0.728 -2.505 -7.522 1.00 0.50 C ATOM 567 CE1 PHE A 39 -2.040 -4.911 -6.944 1.00 0.50 C ATOM 568 CE2 PHE A 39 -0.008 -3.705 -7.489 1.00 0.54 C ATOM 569 CZ PHE A 39 -0.664 -4.908 -7.200 1.00 0.50 C ATOM 0 H PHE A 39 -4.809 0.374 -7.074 1.00 0.42 H new ATOM 0 HA PHE A 39 -4.003 -1.960 -5.620 1.00 0.40 H new ATOM 0 HB2 PHE A 39 -3.605 -1.227 -8.119 1.00 0.46 H new ATOM 0 HB3 PHE A 39 -2.209 -0.373 -7.492 1.00 0.46 H new ATOM 0 HD1 PHE A 39 -3.823 -3.715 -6.777 1.00 0.46 H new ATOM 0 HD2 PHE A 39 -0.222 -1.577 -7.745 1.00 0.50 H new ATOM 0 HE1 PHE A 39 -2.546 -5.839 -6.722 1.00 0.50 H new ATOM 0 HE2 PHE A 39 1.054 -3.703 -7.686 1.00 0.54 H new ATOM 0 HZ PHE A 39 -0.108 -5.834 -7.175 1.00 0.50 H new ATOM 579 N THR A 40 -2.654 0.837 -4.661 1.00 0.38 N ATOM 580 CA THR A 40 -1.733 1.427 -3.637 1.00 0.40 C ATOM 581 C THR A 40 -2.018 0.775 -2.278 1.00 0.37 C ATOM 582 O THR A 40 -1.110 0.396 -1.561 1.00 0.40 O ATOM 583 CB THR A 40 -1.959 2.944 -3.540 1.00 0.44 C ATOM 584 OG1 THR A 40 -3.347 3.216 -3.383 1.00 0.49 O ATOM 585 CG2 THR A 40 -1.448 3.624 -4.812 1.00 0.59 C ATOM 0 H THR A 40 -3.277 1.505 -5.115 1.00 0.38 H new ATOM 0 HA THR A 40 -0.698 1.243 -3.927 1.00 0.40 H new ATOM 0 HB THR A 40 -1.415 3.331 -2.678 1.00 0.44 H new ATOM 0 HG1 THR A 40 -3.486 4.184 -3.320 1.00 0.49 H new ATOM 0 HG21 THR A 40 -1.610 4.699 -4.740 1.00 0.59 H new ATOM 0 HG22 THR A 40 -0.383 3.424 -4.928 1.00 0.59 H new ATOM 0 HG23 THR A 40 -1.987 3.233 -5.675 1.00 0.59 H new ATOM 593 N ALA A 41 -3.279 0.632 -1.934 1.00 0.36 N ATOM 594 CA ALA A 41 -3.646 -0.008 -0.634 1.00 0.39 C ATOM 595 C ALA A 41 -3.431 -1.523 -0.735 1.00 0.37 C ATOM 596 O ALA A 41 -2.987 -2.154 0.209 1.00 0.43 O ATOM 597 CB ALA A 41 -5.116 0.284 -0.317 1.00 0.44 C ATOM 0 H ALA A 41 -4.070 0.933 -2.503 1.00 0.36 H new ATOM 0 HA ALA A 41 -3.019 0.395 0.162 1.00 0.39 H new ATOM 0 HB1 ALA A 41 -5.383 -0.183 0.631 1.00 0.44 H new ATOM 0 HB2 ALA A 41 -5.266 1.361 -0.246 1.00 0.44 H new ATOM 0 HB3 ALA A 41 -5.746 -0.118 -1.110 1.00 0.44 H new ATOM 603 N VAL A 42 -3.736 -2.108 -1.876 1.00 0.36 N ATOM 604 CA VAL A 42 -3.545 -3.585 -2.053 1.00 0.39 C ATOM 605 C VAL A 42 -2.056 -3.929 -1.882 1.00 0.37 C ATOM 606 O VAL A 42 -1.703 -4.844 -1.162 1.00 0.44 O ATOM 607 CB VAL A 42 -4.011 -4.003 -3.457 1.00 0.44 C ATOM 608 CG1 VAL A 42 -3.758 -5.500 -3.660 1.00 0.53 C ATOM 609 CG2 VAL A 42 -5.508 -3.720 -3.609 1.00 0.52 C ATOM 0 H VAL A 42 -4.109 -1.623 -2.692 1.00 0.36 H new ATOM 0 HA VAL A 42 -4.132 -4.119 -1.306 1.00 0.39 H new ATOM 0 HB VAL A 42 -3.454 -3.434 -4.202 1.00 0.44 H new ATOM 0 HG11 VAL A 42 -4.089 -5.793 -4.656 1.00 0.53 H new ATOM 0 HG12 VAL A 42 -2.693 -5.706 -3.557 1.00 0.53 H new ATOM 0 HG13 VAL A 42 -4.312 -6.067 -2.912 1.00 0.53 H new ATOM 0 HG21 VAL A 42 -5.835 -4.017 -4.605 1.00 0.52 H new ATOM 0 HG22 VAL A 42 -6.063 -4.286 -2.861 1.00 0.52 H new ATOM 0 HG23 VAL A 42 -5.693 -2.655 -3.469 1.00 0.52 H new ATOM 619 N LEU A 43 -1.190 -3.191 -2.540 1.00 0.35 N ATOM 620 CA LEU A 43 0.280 -3.447 -2.430 1.00 0.37 C ATOM 621 C LEU A 43 0.743 -3.199 -0.987 1.00 0.38 C ATOM 622 O LEU A 43 1.617 -3.882 -0.486 1.00 0.43 O ATOM 623 CB LEU A 43 1.031 -2.505 -3.379 1.00 0.42 C ATOM 624 CG LEU A 43 2.482 -2.973 -3.538 1.00 0.48 C ATOM 625 CD1 LEU A 43 2.888 -2.892 -5.011 1.00 0.45 C ATOM 626 CD2 LEU A 43 3.403 -2.075 -2.707 1.00 0.70 C ATOM 0 H LEU A 43 -1.444 -2.416 -3.153 1.00 0.35 H new ATOM 0 HA LEU A 43 0.489 -4.482 -2.700 1.00 0.37 H new ATOM 0 HB2 LEU A 43 0.538 -2.485 -4.351 1.00 0.42 H new ATOM 0 HB3 LEU A 43 1.009 -1.488 -2.989 1.00 0.42 H new ATOM 0 HG LEU A 43 2.569 -4.003 -3.193 1.00 0.48 H new ATOM 0 HD11 LEU A 43 3.920 -3.225 -5.123 1.00 0.45 H new ATOM 0 HD12 LEU A 43 2.234 -3.531 -5.604 1.00 0.45 H new ATOM 0 HD13 LEU A 43 2.800 -1.862 -5.357 1.00 0.45 H new ATOM 0 HD21 LEU A 43 4.435 -2.408 -2.820 1.00 0.70 H new ATOM 0 HD22 LEU A 43 3.314 -1.045 -3.052 1.00 0.70 H new ATOM 0 HD23 LEU A 43 3.116 -2.132 -1.657 1.00 0.70 H new ATOM 638 N LYS A 44 0.158 -2.228 -0.319 1.00 0.40 N ATOM 639 CA LYS A 44 0.550 -1.927 1.092 1.00 0.45 C ATOM 640 C LYS A 44 0.182 -3.111 1.995 1.00 0.47 C ATOM 641 O LYS A 44 1.002 -3.599 2.749 1.00 0.55 O ATOM 642 CB LYS A 44 -0.189 -0.674 1.572 1.00 0.50 C ATOM 643 CG LYS A 44 0.625 0.572 1.218 1.00 0.61 C ATOM 644 CD LYS A 44 0.143 1.749 2.066 1.00 1.01 C ATOM 645 CE LYS A 44 1.155 2.891 1.964 1.00 2.10 C ATOM 646 NZ LYS A 44 1.005 3.810 3.132 1.00 2.78 N ATOM 0 H LYS A 44 -0.577 -1.630 -0.696 1.00 0.40 H new ATOM 0 HA LYS A 44 1.626 -1.757 1.138 1.00 0.45 H new ATOM 0 HB2 LYS A 44 -1.174 -0.621 1.108 1.00 0.50 H new ATOM 0 HB3 LYS A 44 -0.347 -0.723 2.649 1.00 0.50 H new ATOM 0 HG2 LYS A 44 1.685 0.391 1.396 1.00 0.61 H new ATOM 0 HG3 LYS A 44 0.515 0.803 0.159 1.00 0.61 H new ATOM 0 HD2 LYS A 44 -0.836 2.083 1.723 1.00 1.01 H new ATOM 0 HD3 LYS A 44 0.028 1.441 3.105 1.00 1.01 H new ATOM 0 HE2 LYS A 44 2.168 2.489 1.934 1.00 2.10 H new ATOM 0 HE3 LYS A 44 1.003 3.441 1.035 1.00 2.10 H new ATOM 0 HZ1 LYS A 44 1.696 4.584 3.056 1.00 2.78 H new ATOM 0 HZ2 LYS A 44 0.043 4.205 3.142 1.00 2.78 H new ATOM 0 HZ3 LYS A 44 1.172 3.282 4.013 1.00 2.78 H new ATOM 660 N PHE A 45 -1.045 -3.573 1.918 1.00 0.46 N ATOM 661 CA PHE A 45 -1.482 -4.727 2.763 1.00 0.52 C ATOM 662 C PHE A 45 -0.643 -5.964 2.421 1.00 0.49 C ATOM 663 O PHE A 45 -0.195 -6.676 3.301 1.00 0.55 O ATOM 664 CB PHE A 45 -2.962 -5.021 2.496 1.00 0.57 C ATOM 665 CG PHE A 45 -3.816 -4.283 3.498 1.00 0.77 C ATOM 666 CD1 PHE A 45 -4.034 -4.828 4.769 1.00 1.26 C ATOM 667 CD2 PHE A 45 -4.392 -3.051 3.156 1.00 1.28 C ATOM 668 CE1 PHE A 45 -4.828 -4.144 5.695 1.00 1.67 C ATOM 669 CE2 PHE A 45 -5.185 -2.370 4.084 1.00 1.67 C ATOM 670 CZ PHE A 45 -5.403 -2.915 5.352 1.00 1.72 C ATOM 0 H PHE A 45 -1.765 -3.196 1.302 1.00 0.46 H new ATOM 0 HA PHE A 45 -1.344 -4.479 3.815 1.00 0.52 H new ATOM 0 HB2 PHE A 45 -3.226 -4.716 1.484 1.00 0.57 H new ATOM 0 HB3 PHE A 45 -3.148 -6.093 2.565 1.00 0.57 H new ATOM 0 HD1 PHE A 45 -3.589 -5.776 5.034 1.00 1.26 H new ATOM 0 HD2 PHE A 45 -4.223 -2.629 2.176 1.00 1.28 H new ATOM 0 HE1 PHE A 45 -4.998 -4.564 6.675 1.00 1.67 H new ATOM 0 HE2 PHE A 45 -5.630 -1.422 3.821 1.00 1.67 H new ATOM 0 HZ PHE A 45 -6.016 -2.387 6.068 1.00 1.72 H new ATOM 680 N ALA A 46 -0.423 -6.220 1.150 1.00 0.45 N ATOM 681 CA ALA A 46 0.391 -7.406 0.740 1.00 0.44 C ATOM 682 C ALA A 46 1.808 -7.283 1.317 1.00 0.45 C ATOM 683 O ALA A 46 2.342 -8.228 1.867 1.00 0.51 O ATOM 684 CB ALA A 46 0.461 -7.478 -0.789 1.00 0.43 C ATOM 0 H ALA A 46 -0.775 -5.654 0.378 1.00 0.45 H new ATOM 0 HA ALA A 46 -0.076 -8.314 1.122 1.00 0.44 H new ATOM 0 HB1 ALA A 46 1.055 -8.343 -1.086 1.00 0.43 H new ATOM 0 HB2 ALA A 46 -0.546 -7.572 -1.195 1.00 0.43 H new ATOM 0 HB3 ALA A 46 0.924 -6.570 -1.175 1.00 0.43 H new ATOM 690 N ALA A 47 2.412 -6.120 1.201 1.00 0.44 N ATOM 691 CA ALA A 47 3.793 -5.916 1.743 1.00 0.50 C ATOM 692 C ALA A 47 3.774 -6.027 3.275 1.00 0.55 C ATOM 693 O ALA A 47 4.636 -6.654 3.863 1.00 0.63 O ATOM 694 CB ALA A 47 4.304 -4.528 1.339 1.00 0.54 C ATOM 0 H ALA A 47 2.003 -5.301 0.751 1.00 0.44 H new ATOM 0 HA ALA A 47 4.453 -6.681 1.335 1.00 0.50 H new ATOM 0 HB1 ALA A 47 5.309 -4.381 1.734 1.00 0.54 H new ATOM 0 HB2 ALA A 47 4.327 -4.451 0.252 1.00 0.54 H new ATOM 0 HB3 ALA A 47 3.640 -3.764 1.743 1.00 0.54 H new ATOM 700 N GLU A 48 2.797 -5.425 3.919 1.00 0.57 N ATOM 701 CA GLU A 48 2.713 -5.494 5.414 1.00 0.65 C ATOM 702 C GLU A 48 2.574 -6.957 5.855 1.00 0.66 C ATOM 703 O GLU A 48 3.240 -7.398 6.774 1.00 0.74 O ATOM 704 CB GLU A 48 1.499 -4.693 5.902 1.00 0.73 C ATOM 705 CG GLU A 48 1.960 -3.327 6.424 1.00 0.84 C ATOM 706 CD GLU A 48 2.187 -2.370 5.248 1.00 0.96 C ATOM 707 OE1 GLU A 48 3.285 -2.363 4.715 1.00 1.06 O ATOM 708 OE2 GLU A 48 1.257 -1.657 4.902 1.00 1.13 O ATOM 0 H GLU A 48 2.054 -4.889 3.471 1.00 0.57 H new ATOM 0 HA GLU A 48 3.620 -5.071 5.845 1.00 0.65 H new ATOM 0 HB2 GLU A 48 0.787 -4.561 5.088 1.00 0.73 H new ATOM 0 HB3 GLU A 48 0.983 -5.240 6.691 1.00 0.73 H new ATOM 0 HG2 GLU A 48 1.211 -2.915 7.101 1.00 0.84 H new ATOM 0 HG3 GLU A 48 2.881 -3.438 6.997 1.00 0.84 H new ATOM 715 N GLU A 49 1.721 -7.711 5.198 1.00 0.62 N ATOM 716 CA GLU A 49 1.541 -9.153 5.564 1.00 0.67 C ATOM 717 C GLU A 49 2.797 -9.946 5.167 1.00 0.63 C ATOM 718 O GLU A 49 3.106 -10.964 5.759 1.00 0.73 O ATOM 719 CB GLU A 49 0.325 -9.724 4.824 1.00 0.68 C ATOM 720 CG GLU A 49 -0.931 -9.557 5.687 1.00 0.77 C ATOM 721 CD GLU A 49 -1.688 -8.293 5.262 1.00 0.82 C ATOM 722 OE1 GLU A 49 -2.477 -8.381 4.334 1.00 1.01 O ATOM 723 OE2 GLU A 49 -1.467 -7.259 5.871 1.00 0.92 O ATOM 0 H GLU A 49 1.141 -7.388 4.423 1.00 0.62 H new ATOM 0 HA GLU A 49 1.384 -9.234 6.640 1.00 0.67 H new ATOM 0 HB2 GLU A 49 0.194 -9.212 3.871 1.00 0.68 H new ATOM 0 HB3 GLU A 49 0.486 -10.778 4.600 1.00 0.68 H new ATOM 0 HG2 GLU A 49 -1.575 -10.430 5.582 1.00 0.77 H new ATOM 0 HG3 GLU A 49 -0.654 -9.490 6.739 1.00 0.77 H new ATOM 730 N PHE A 50 3.520 -9.484 4.168 1.00 0.56 N ATOM 731 CA PHE A 50 4.757 -10.199 3.720 1.00 0.59 C ATOM 732 C PHE A 50 5.973 -9.774 4.569 1.00 0.68 C ATOM 733 O PHE A 50 7.087 -10.197 4.308 1.00 0.76 O ATOM 734 CB PHE A 50 5.025 -9.862 2.249 1.00 0.54 C ATOM 735 CG PHE A 50 4.445 -10.940 1.362 1.00 0.50 C ATOM 736 CD1 PHE A 50 4.853 -12.270 1.522 1.00 0.54 C ATOM 737 CD2 PHE A 50 3.504 -10.611 0.380 1.00 0.54 C ATOM 738 CE1 PHE A 50 4.322 -13.269 0.699 1.00 0.57 C ATOM 739 CE2 PHE A 50 2.971 -11.612 -0.443 1.00 0.58 C ATOM 740 CZ PHE A 50 3.381 -12.940 -0.282 1.00 0.58 C ATOM 0 H PHE A 50 3.302 -8.637 3.643 1.00 0.56 H new ATOM 0 HA PHE A 50 4.606 -11.272 3.842 1.00 0.59 H new ATOM 0 HB2 PHE A 50 4.582 -8.897 2.001 1.00 0.54 H new ATOM 0 HB3 PHE A 50 6.098 -9.774 2.076 1.00 0.54 H new ATOM 0 HD1 PHE A 50 5.578 -12.525 2.281 1.00 0.54 H new ATOM 0 HD2 PHE A 50 3.189 -9.586 0.256 1.00 0.54 H new ATOM 0 HE1 PHE A 50 4.639 -14.294 0.821 1.00 0.57 H new ATOM 0 HE2 PHE A 50 2.244 -11.359 -1.201 1.00 0.58 H new ATOM 0 HZ PHE A 50 2.970 -13.712 -0.916 1.00 0.58 H new ATOM 750 N LYS A 51 5.769 -8.948 5.577 1.00 0.71 N ATOM 751 CA LYS A 51 6.902 -8.490 6.450 1.00 0.83 C ATOM 752 C LYS A 51 7.914 -7.676 5.622 1.00 0.82 C ATOM 753 O LYS A 51 9.112 -7.755 5.834 1.00 0.91 O ATOM 754 CB LYS A 51 7.592 -9.706 7.090 1.00 0.95 C ATOM 755 CG LYS A 51 6.679 -10.306 8.163 1.00 1.12 C ATOM 756 CD LYS A 51 6.827 -11.831 8.173 1.00 1.30 C ATOM 757 CE LYS A 51 5.440 -12.480 8.189 1.00 1.47 C ATOM 758 NZ LYS A 51 5.505 -13.817 7.533 1.00 1.74 N ATOM 0 H LYS A 51 4.857 -8.570 5.832 1.00 0.71 H new ATOM 0 HA LYS A 51 6.507 -7.852 7.240 1.00 0.83 H new ATOM 0 HB2 LYS A 51 7.815 -10.453 6.328 1.00 0.95 H new ATOM 0 HB3 LYS A 51 8.543 -9.407 7.532 1.00 0.95 H new ATOM 0 HG2 LYS A 51 6.936 -9.900 9.141 1.00 1.12 H new ATOM 0 HG3 LYS A 51 5.642 -10.033 7.966 1.00 1.12 H new ATOM 0 HD2 LYS A 51 7.383 -12.159 7.295 1.00 1.30 H new ATOM 0 HD3 LYS A 51 7.397 -12.146 9.047 1.00 1.30 H new ATOM 0 HE2 LYS A 51 5.088 -12.584 9.215 1.00 1.47 H new ATOM 0 HE3 LYS A 51 4.724 -11.843 7.670 1.00 1.47 H new ATOM 0 HZ1 LYS A 51 4.562 -14.256 7.545 1.00 1.74 H new ATOM 0 HZ2 LYS A 51 5.823 -13.706 6.549 1.00 1.74 H new ATOM 0 HZ3 LYS A 51 6.176 -14.424 8.047 1.00 1.74 H new ATOM 772 N VAL A 52 7.432 -6.884 4.692 1.00 0.73 N ATOM 773 CA VAL A 52 8.345 -6.045 3.850 1.00 0.74 C ATOM 774 C VAL A 52 7.798 -4.609 3.783 1.00 0.72 C ATOM 775 O VAL A 52 6.615 -4.388 3.975 1.00 0.71 O ATOM 776 CB VAL A 52 8.442 -6.628 2.431 1.00 0.71 C ATOM 777 CG1 VAL A 52 9.209 -7.952 2.471 1.00 0.90 C ATOM 778 CG2 VAL A 52 7.039 -6.874 1.867 1.00 0.65 C ATOM 0 H VAL A 52 6.440 -6.783 4.479 1.00 0.73 H new ATOM 0 HA VAL A 52 9.339 -6.039 4.297 1.00 0.74 H new ATOM 0 HB VAL A 52 8.967 -5.918 1.792 1.00 0.71 H new ATOM 0 HG11 VAL A 52 9.277 -8.364 1.464 1.00 0.90 H new ATOM 0 HG12 VAL A 52 10.212 -7.780 2.861 1.00 0.90 H new ATOM 0 HG13 VAL A 52 8.685 -8.657 3.117 1.00 0.90 H new ATOM 0 HG21 VAL A 52 7.118 -7.287 0.861 1.00 0.65 H new ATOM 0 HG22 VAL A 52 6.508 -7.578 2.508 1.00 0.65 H new ATOM 0 HG23 VAL A 52 6.491 -5.932 1.830 1.00 0.65 H new ATOM 788 N PRO A 53 8.681 -3.671 3.511 1.00 0.80 N ATOM 789 CA PRO A 53 8.320 -2.243 3.413 1.00 0.84 C ATOM 790 C PRO A 53 7.606 -1.952 2.089 1.00 0.66 C ATOM 791 O PRO A 53 8.129 -2.208 1.021 1.00 0.62 O ATOM 792 CB PRO A 53 9.666 -1.522 3.487 1.00 1.03 C ATOM 793 CG PRO A 53 10.739 -2.555 3.066 1.00 1.07 C ATOM 794 CD PRO A 53 10.115 -3.947 3.274 1.00 0.94 C ATOM 0 HA PRO A 53 7.632 -1.924 4.196 1.00 0.84 H new ATOM 0 HB2 PRO A 53 9.680 -0.656 2.825 1.00 1.03 H new ATOM 0 HB3 PRO A 53 9.855 -1.155 4.496 1.00 1.03 H new ATOM 0 HG2 PRO A 53 11.028 -2.411 2.025 1.00 1.07 H new ATOM 0 HG3 PRO A 53 11.642 -2.442 3.666 1.00 1.07 H new ATOM 0 HD2 PRO A 53 10.259 -4.582 2.400 1.00 0.94 H new ATOM 0 HD3 PRO A 53 10.566 -4.463 4.121 1.00 0.94 H new ATOM 802 N ALA A 54 6.414 -1.414 2.167 1.00 0.70 N ATOM 803 CA ALA A 54 5.633 -1.092 0.929 1.00 0.67 C ATOM 804 C ALA A 54 6.277 0.089 0.188 1.00 0.68 C ATOM 805 O ALA A 54 6.187 0.187 -1.023 1.00 0.72 O ATOM 806 CB ALA A 54 4.195 -0.731 1.314 1.00 0.91 C ATOM 0 H ALA A 54 5.944 -1.182 3.042 1.00 0.70 H new ATOM 0 HA ALA A 54 5.631 -1.963 0.273 1.00 0.67 H new ATOM 0 HB1 ALA A 54 3.626 -0.496 0.415 1.00 0.91 H new ATOM 0 HB2 ALA A 54 3.733 -1.575 1.826 1.00 0.91 H new ATOM 0 HB3 ALA A 54 4.202 0.135 1.975 1.00 0.91 H new ATOM 812 N ALA A 55 6.926 0.983 0.905 1.00 0.76 N ATOM 813 CA ALA A 55 7.580 2.161 0.251 1.00 0.84 C ATOM 814 C ALA A 55 8.641 1.683 -0.750 1.00 0.77 C ATOM 815 O ALA A 55 8.771 2.231 -1.830 1.00 0.86 O ATOM 816 CB ALA A 55 8.244 3.034 1.320 1.00 1.01 C ATOM 0 H ALA A 55 7.029 0.944 1.919 1.00 0.76 H new ATOM 0 HA ALA A 55 6.824 2.741 -0.279 1.00 0.84 H new ATOM 0 HB1 ALA A 55 8.720 3.892 0.845 1.00 1.01 H new ATOM 0 HB2 ALA A 55 7.490 3.382 2.025 1.00 1.01 H new ATOM 0 HB3 ALA A 55 8.995 2.450 1.852 1.00 1.01 H new ATOM 822 N THR A 56 9.396 0.665 -0.399 1.00 0.72 N ATOM 823 CA THR A 56 10.448 0.144 -1.328 1.00 0.79 C ATOM 824 C THR A 56 10.069 -1.271 -1.797 1.00 0.71 C ATOM 825 O THR A 56 10.909 -2.149 -1.896 1.00 0.95 O ATOM 826 CB THR A 56 11.807 0.115 -0.607 1.00 0.98 C ATOM 827 OG1 THR A 56 11.671 -0.539 0.649 1.00 1.03 O ATOM 828 CG2 THR A 56 12.301 1.546 -0.389 1.00 1.19 C ATOM 0 H THR A 56 9.327 0.174 0.492 1.00 0.72 H new ATOM 0 HA THR A 56 10.521 0.798 -2.197 1.00 0.79 H new ATOM 0 HB THR A 56 12.527 -0.428 -1.219 1.00 0.98 H new ATOM 0 HG1 THR A 56 12.539 -0.557 1.104 1.00 1.03 H new ATOM 0 HG21 THR A 56 13.264 1.525 0.122 1.00 1.19 H new ATOM 0 HG22 THR A 56 12.412 2.043 -1.353 1.00 1.19 H new ATOM 0 HG23 THR A 56 11.579 2.091 0.219 1.00 1.19 H new ATOM 836 N SER A 57 8.808 -1.493 -2.095 1.00 0.58 N ATOM 837 CA SER A 57 8.367 -2.841 -2.565 1.00 0.52 C ATOM 838 C SER A 57 7.589 -2.708 -3.876 1.00 0.49 C ATOM 839 O SER A 57 7.023 -1.671 -4.179 1.00 0.67 O ATOM 840 CB SER A 57 7.469 -3.493 -1.514 1.00 0.66 C ATOM 841 OG SER A 57 8.253 -4.347 -0.690 1.00 0.77 O ATOM 0 H SER A 57 8.067 -0.795 -2.032 1.00 0.58 H new ATOM 0 HA SER A 57 9.249 -3.461 -2.725 1.00 0.52 H new ATOM 0 HB2 SER A 57 6.985 -2.728 -0.907 1.00 0.66 H new ATOM 0 HB3 SER A 57 6.677 -4.064 -1.999 1.00 0.66 H new ATOM 0 HG SER A 57 8.447 -3.896 0.158 1.00 0.77 H new ATOM 847 N ALA A 58 7.559 -3.762 -4.648 1.00 0.46 N ATOM 848 CA ALA A 58 6.823 -3.744 -5.947 1.00 0.44 C ATOM 849 C ALA A 58 6.126 -5.094 -6.147 1.00 0.39 C ATOM 850 O ALA A 58 6.462 -6.074 -5.505 1.00 0.41 O ATOM 851 CB ALA A 58 7.813 -3.500 -7.091 1.00 0.47 C ATOM 0 H ALA A 58 8.019 -4.646 -4.431 1.00 0.46 H new ATOM 0 HA ALA A 58 6.080 -2.947 -5.939 1.00 0.44 H new ATOM 0 HB1 ALA A 58 7.277 -3.487 -8.040 1.00 0.47 H new ATOM 0 HB2 ALA A 58 8.312 -2.542 -6.943 1.00 0.47 H new ATOM 0 HB3 ALA A 58 8.556 -4.297 -7.105 1.00 0.47 H new ATOM 857 N ILE A 59 5.161 -5.157 -7.032 1.00 0.40 N ATOM 858 CA ILE A 59 4.448 -6.447 -7.270 1.00 0.37 C ATOM 859 C ILE A 59 4.543 -6.814 -8.756 1.00 0.39 C ATOM 860 O ILE A 59 3.964 -6.161 -9.602 1.00 0.42 O ATOM 861 CB ILE A 59 2.977 -6.306 -6.842 1.00 0.38 C ATOM 862 CG1 ILE A 59 2.885 -6.445 -5.317 1.00 0.39 C ATOM 863 CG2 ILE A 59 2.124 -7.397 -7.505 1.00 0.41 C ATOM 864 CD1 ILE A 59 1.474 -6.084 -4.846 1.00 0.47 C ATOM 0 H ILE A 59 4.838 -4.372 -7.598 1.00 0.40 H new ATOM 0 HA ILE A 59 4.909 -7.240 -6.682 1.00 0.37 H new ATOM 0 HB ILE A 59 2.605 -5.330 -7.153 1.00 0.38 H new ATOM 0 HG12 ILE A 59 3.127 -7.466 -5.021 1.00 0.39 H new ATOM 0 HG13 ILE A 59 3.616 -5.793 -4.839 1.00 0.39 H new ATOM 0 HG21 ILE A 59 1.085 -7.286 -7.194 1.00 0.41 H new ATOM 0 HG22 ILE A 59 2.190 -7.302 -8.589 1.00 0.41 H new ATOM 0 HG23 ILE A 59 2.490 -8.378 -7.204 1.00 0.41 H new ATOM 0 HD11 ILE A 59 1.415 -6.185 -3.762 1.00 0.47 H new ATOM 0 HD12 ILE A 59 1.248 -5.055 -5.128 1.00 0.47 H new ATOM 0 HD13 ILE A 59 0.752 -6.754 -5.312 1.00 0.47 H new ATOM 876 N ILE A 60 5.263 -7.863 -9.070 1.00 0.38 N ATOM 877 CA ILE A 60 5.394 -8.291 -10.498 1.00 0.41 C ATOM 878 C ILE A 60 4.399 -9.427 -10.779 1.00 0.40 C ATOM 879 O ILE A 60 3.673 -9.854 -9.900 1.00 0.41 O ATOM 880 CB ILE A 60 6.830 -8.767 -10.777 1.00 0.44 C ATOM 881 CG1 ILE A 60 7.172 -9.974 -9.891 1.00 0.45 C ATOM 882 CG2 ILE A 60 7.814 -7.630 -10.487 1.00 0.49 C ATOM 883 CD1 ILE A 60 7.660 -11.128 -10.769 1.00 0.56 C ATOM 0 H ILE A 60 5.766 -8.442 -8.398 1.00 0.38 H new ATOM 0 HA ILE A 60 5.175 -7.446 -11.151 1.00 0.41 H new ATOM 0 HB ILE A 60 6.905 -9.061 -11.824 1.00 0.44 H new ATOM 0 HG12 ILE A 60 7.941 -9.702 -9.168 1.00 0.45 H new ATOM 0 HG13 ILE A 60 6.295 -10.281 -9.322 1.00 0.45 H new ATOM 0 HG21 ILE A 60 8.831 -7.969 -10.685 1.00 0.49 H new ATOM 0 HG22 ILE A 60 7.584 -6.778 -11.127 1.00 0.49 H new ATOM 0 HG23 ILE A 60 7.728 -7.332 -9.442 1.00 0.49 H new ATOM 0 HD11 ILE A 60 7.903 -11.985 -10.141 1.00 0.56 H new ATOM 0 HD12 ILE A 60 6.876 -11.405 -11.474 1.00 0.56 H new ATOM 0 HD13 ILE A 60 8.549 -10.817 -11.318 1.00 0.56 H new ATOM 895 N THR A 61 4.351 -9.908 -11.996 1.00 0.43 N ATOM 896 CA THR A 61 3.393 -11.008 -12.334 1.00 0.44 C ATOM 897 C THR A 61 4.156 -12.278 -12.728 1.00 0.46 C ATOM 898 O THR A 61 5.332 -12.238 -13.045 1.00 0.52 O ATOM 899 CB THR A 61 2.493 -10.566 -13.494 1.00 0.49 C ATOM 900 OG1 THR A 61 3.290 -10.228 -14.623 1.00 0.58 O ATOM 901 CG2 THR A 61 1.669 -9.350 -13.066 1.00 0.58 C ATOM 0 H THR A 61 4.933 -9.588 -12.770 1.00 0.43 H new ATOM 0 HA THR A 61 2.781 -11.224 -11.458 1.00 0.44 H new ATOM 0 HB THR A 61 1.824 -11.384 -13.761 1.00 0.49 H new ATOM 0 HG1 THR A 61 2.712 -10.087 -15.401 1.00 0.58 H new ATOM 0 HG21 THR A 61 1.029 -9.036 -13.891 1.00 0.58 H new ATOM 0 HG22 THR A 61 1.051 -9.613 -12.207 1.00 0.58 H new ATOM 0 HG23 THR A 61 2.339 -8.534 -12.795 1.00 0.58 H new ATOM 909 N ASN A 62 3.481 -13.405 -12.714 1.00 0.47 N ATOM 910 CA ASN A 62 4.136 -14.699 -13.092 1.00 0.53 C ATOM 911 C ASN A 62 4.612 -14.645 -14.551 1.00 0.59 C ATOM 912 O ASN A 62 5.512 -15.368 -14.939 1.00 0.67 O ATOM 913 CB ASN A 62 3.126 -15.843 -12.930 1.00 0.55 C ATOM 914 CG ASN A 62 3.835 -17.116 -12.449 1.00 0.88 C ATOM 915 OD1 ASN A 62 5.015 -17.300 -12.673 1.00 1.09 O ATOM 916 ND2 ASN A 62 3.150 -18.012 -11.793 1.00 1.75 N ATOM 0 H ASN A 62 2.498 -13.483 -12.455 1.00 0.47 H new ATOM 0 HA ASN A 62 4.996 -14.867 -12.443 1.00 0.53 H new ATOM 0 HB2 ASN A 62 2.354 -15.557 -12.216 1.00 0.55 H new ATOM 0 HB3 ASN A 62 2.627 -16.034 -13.880 1.00 0.55 H new ATOM 0 HD21 ASN A 62 3.605 -18.865 -11.469 1.00 1.75 H new ATOM 0 HD22 ASN A 62 2.159 -17.859 -11.604 1.00 1.75 H new ATOM 923 N ASP A 63 4.017 -13.794 -15.361 1.00 0.59 N ATOM 924 CA ASP A 63 4.434 -13.690 -16.795 1.00 0.69 C ATOM 925 C ASP A 63 5.715 -12.851 -16.889 1.00 0.71 C ATOM 926 O ASP A 63 6.626 -13.183 -17.625 1.00 0.91 O ATOM 927 CB ASP A 63 3.325 -13.015 -17.615 1.00 0.74 C ATOM 928 CG ASP A 63 1.955 -13.593 -17.228 1.00 0.78 C ATOM 929 OD1 ASP A 63 1.680 -14.722 -17.602 1.00 0.90 O ATOM 930 OD2 ASP A 63 1.206 -12.893 -16.565 1.00 0.85 O ATOM 0 H ASP A 63 3.260 -13.168 -15.087 1.00 0.59 H new ATOM 0 HA ASP A 63 4.615 -14.690 -17.190 1.00 0.69 H new ATOM 0 HB2 ASP A 63 3.337 -11.939 -17.441 1.00 0.74 H new ATOM 0 HB3 ASP A 63 3.505 -13.167 -18.679 1.00 0.74 H new ATOM 935 N GLY A 64 5.789 -11.771 -16.142 1.00 0.61 N ATOM 936 CA GLY A 64 7.009 -10.905 -16.172 1.00 0.64 C ATOM 937 C GLY A 64 6.601 -9.439 -16.342 1.00 0.66 C ATOM 938 O GLY A 64 7.097 -8.748 -17.215 1.00 0.75 O ATOM 0 H GLY A 64 5.053 -11.454 -15.512 1.00 0.61 H new ATOM 0 HA2 GLY A 64 7.577 -11.029 -15.250 1.00 0.64 H new ATOM 0 HA3 GLY A 64 7.661 -11.208 -16.991 1.00 0.64 H new ATOM 942 N VAL A 65 5.706 -8.960 -15.508 1.00 0.63 N ATOM 943 CA VAL A 65 5.256 -7.537 -15.598 1.00 0.65 C ATOM 944 C VAL A 65 5.384 -6.887 -14.217 1.00 0.60 C ATOM 945 O VAL A 65 4.753 -7.311 -13.265 1.00 0.61 O ATOM 946 CB VAL A 65 3.794 -7.486 -16.066 1.00 0.68 C ATOM 947 CG1 VAL A 65 3.352 -6.029 -16.225 1.00 0.77 C ATOM 948 CG2 VAL A 65 3.660 -8.207 -17.411 1.00 0.77 C ATOM 0 H VAL A 65 5.266 -9.501 -14.764 1.00 0.63 H new ATOM 0 HA VAL A 65 5.875 -6.998 -16.315 1.00 0.65 H new ATOM 0 HB VAL A 65 3.164 -7.977 -15.324 1.00 0.68 H new ATOM 0 HG11 VAL A 65 2.314 -5.998 -16.557 1.00 0.77 H new ATOM 0 HG12 VAL A 65 3.442 -5.515 -15.268 1.00 0.77 H new ATOM 0 HG13 VAL A 65 3.984 -5.535 -16.963 1.00 0.77 H new ATOM 0 HG21 VAL A 65 2.622 -8.170 -17.742 1.00 0.77 H new ATOM 0 HG22 VAL A 65 4.294 -7.718 -18.151 1.00 0.77 H new ATOM 0 HG23 VAL A 65 3.968 -9.246 -17.299 1.00 0.77 H new ATOM 958 N GLY A 66 6.204 -5.866 -14.102 1.00 0.62 N ATOM 959 CA GLY A 66 6.394 -5.181 -12.788 1.00 0.58 C ATOM 960 C GLY A 66 5.212 -4.253 -12.510 1.00 0.56 C ATOM 961 O GLY A 66 5.261 -3.069 -12.794 1.00 0.62 O ATOM 0 H GLY A 66 6.752 -5.478 -14.870 1.00 0.62 H new ATOM 0 HA2 GLY A 66 6.482 -5.920 -11.992 1.00 0.58 H new ATOM 0 HA3 GLY A 66 7.322 -4.610 -12.797 1.00 0.58 H new ATOM 965 N VAL A 67 4.154 -4.786 -11.952 1.00 0.50 N ATOM 966 CA VAL A 67 2.952 -3.951 -11.638 1.00 0.51 C ATOM 967 C VAL A 67 3.258 -3.041 -10.439 1.00 0.48 C ATOM 968 O VAL A 67 3.771 -3.483 -9.422 1.00 0.49 O ATOM 969 CB VAL A 67 1.758 -4.860 -11.306 1.00 0.51 C ATOM 970 CG1 VAL A 67 0.493 -4.014 -11.132 1.00 0.57 C ATOM 971 CG2 VAL A 67 1.541 -5.860 -12.448 1.00 0.58 C ATOM 0 H VAL A 67 4.070 -5.770 -11.698 1.00 0.50 H new ATOM 0 HA VAL A 67 2.704 -3.338 -12.504 1.00 0.51 H new ATOM 0 HB VAL A 67 1.966 -5.397 -10.381 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -0.350 -4.664 -10.897 1.00 0.57 H new ATOM 0 HG12 VAL A 67 0.640 -3.302 -10.320 1.00 0.57 H new ATOM 0 HG13 VAL A 67 0.287 -3.473 -12.056 1.00 0.57 H new ATOM 0 HG21 VAL A 67 0.694 -6.504 -12.212 1.00 0.58 H new ATOM 0 HG22 VAL A 67 1.338 -5.319 -13.372 1.00 0.58 H new ATOM 0 HG23 VAL A 67 2.436 -6.469 -12.573 1.00 0.58 H new ATOM 981 N ASN A 68 2.946 -1.772 -10.559 1.00 0.49 N ATOM 982 CA ASN A 68 3.207 -0.812 -9.443 1.00 0.49 C ATOM 983 C ASN A 68 1.876 -0.267 -8.902 1.00 0.48 C ATOM 984 O ASN A 68 0.844 -0.417 -9.533 1.00 0.50 O ATOM 985 CB ASN A 68 4.061 0.351 -9.967 1.00 0.56 C ATOM 986 CG ASN A 68 5.549 -0.008 -9.874 1.00 0.65 C ATOM 987 OD1 ASN A 68 5.979 -0.647 -8.932 1.00 1.36 O ATOM 988 ND2 ASN A 68 6.361 0.384 -10.817 1.00 1.11 N ATOM 0 H ASN A 68 2.519 -1.359 -11.388 1.00 0.49 H new ATOM 0 HA ASN A 68 3.736 -1.325 -8.640 1.00 0.49 H new ATOM 0 HB2 ASN A 68 3.795 0.571 -11.001 1.00 0.56 H new ATOM 0 HB3 ASN A 68 3.859 1.252 -9.387 1.00 0.56 H new ATOM 0 HD21 ASN A 68 7.353 0.155 -10.763 1.00 1.11 H new ATOM 0 HD22 ASN A 68 6.003 0.920 -11.608 1.00 1.11 H new ATOM 995 N PRO A 69 1.943 0.356 -7.743 1.00 0.49 N ATOM 996 CA PRO A 69 0.763 0.946 -7.079 1.00 0.52 C ATOM 997 C PRO A 69 0.395 2.287 -7.742 1.00 0.56 C ATOM 998 O PRO A 69 0.451 3.337 -7.125 1.00 0.63 O ATOM 999 CB PRO A 69 1.227 1.138 -5.629 1.00 0.58 C ATOM 1000 CG PRO A 69 2.772 1.189 -5.667 1.00 0.59 C ATOM 1001 CD PRO A 69 3.203 0.527 -6.988 1.00 0.53 C ATOM 0 HA PRO A 69 -0.132 0.327 -7.146 1.00 0.52 H new ATOM 0 HB2 PRO A 69 0.818 2.057 -5.209 1.00 0.58 H new ATOM 0 HB3 PRO A 69 0.881 0.319 -4.999 1.00 0.58 H new ATOM 0 HG2 PRO A 69 3.127 2.218 -5.616 1.00 0.59 H new ATOM 0 HG3 PRO A 69 3.198 0.662 -4.813 1.00 0.59 H new ATOM 0 HD2 PRO A 69 3.911 1.152 -7.533 1.00 0.53 H new ATOM 0 HD3 PRO A 69 3.693 -0.430 -6.811 1.00 0.53 H new ATOM 1009 N ALA A 70 0.018 2.247 -8.998 1.00 0.57 N ATOM 1010 CA ALA A 70 -0.361 3.500 -9.725 1.00 0.66 C ATOM 1011 C ALA A 70 -1.676 3.275 -10.494 1.00 0.63 C ATOM 1012 O ALA A 70 -1.921 3.892 -11.517 1.00 0.80 O ATOM 1013 CB ALA A 70 0.757 3.872 -10.704 1.00 0.75 C ATOM 0 H ALA A 70 -0.044 1.394 -9.554 1.00 0.57 H new ATOM 0 HA ALA A 70 -0.502 4.310 -9.010 1.00 0.66 H new ATOM 0 HB1 ALA A 70 0.486 4.784 -11.236 1.00 0.75 H new ATOM 0 HB2 ALA A 70 1.684 4.035 -10.153 1.00 0.75 H new ATOM 0 HB3 ALA A 70 0.898 3.062 -11.420 1.00 0.75 H new ATOM 1019 N GLN A 71 -2.521 2.396 -10.004 1.00 0.61 N ATOM 1020 CA GLN A 71 -3.826 2.117 -10.688 1.00 0.59 C ATOM 1021 C GLN A 71 -4.807 1.493 -9.679 1.00 0.53 C ATOM 1022 O GLN A 71 -4.401 1.057 -8.619 1.00 0.53 O ATOM 1023 CB GLN A 71 -3.595 1.149 -11.859 1.00 0.63 C ATOM 1024 CG GLN A 71 -2.811 -0.079 -11.383 1.00 0.62 C ATOM 1025 CD GLN A 71 -1.494 -0.179 -12.158 1.00 0.64 C ATOM 1026 OE1 GLN A 71 -0.525 0.472 -11.818 1.00 0.80 O ATOM 1027 NE2 GLN A 71 -1.418 -0.970 -13.194 1.00 0.91 N ATOM 0 H GLN A 71 -2.361 1.856 -9.153 1.00 0.61 H new ATOM 0 HA GLN A 71 -4.246 3.047 -11.071 1.00 0.59 H new ATOM 0 HB2 GLN A 71 -4.552 0.839 -12.278 1.00 0.63 H new ATOM 0 HB3 GLN A 71 -3.047 1.653 -12.655 1.00 0.63 H new ATOM 0 HG2 GLN A 71 -2.611 -0.004 -10.314 1.00 0.62 H new ATOM 0 HG3 GLN A 71 -3.403 -0.982 -11.534 1.00 0.62 H new ATOM 0 HE21 GLN A 71 -2.231 -1.516 -13.479 1.00 0.91 H new ATOM 0 HE22 GLN A 71 -0.546 -1.042 -13.718 1.00 0.91 H new ATOM 1036 N PRO A 72 -6.073 1.471 -10.038 1.00 0.53 N ATOM 1037 CA PRO A 72 -7.135 0.909 -9.176 1.00 0.52 C ATOM 1038 C PRO A 72 -7.111 -0.627 -9.199 1.00 0.51 C ATOM 1039 O PRO A 72 -6.637 -1.237 -10.142 1.00 0.53 O ATOM 1040 CB PRO A 72 -8.427 1.450 -9.795 1.00 0.58 C ATOM 1041 CG PRO A 72 -8.092 1.808 -11.263 1.00 0.63 C ATOM 1042 CD PRO A 72 -6.565 1.997 -11.332 1.00 0.60 C ATOM 0 HA PRO A 72 -7.020 1.188 -8.128 1.00 0.52 H new ATOM 0 HB2 PRO A 72 -9.221 0.705 -9.749 1.00 0.58 H new ATOM 0 HB3 PRO A 72 -8.780 2.327 -9.252 1.00 0.58 H new ATOM 0 HG2 PRO A 72 -8.415 1.016 -11.938 1.00 0.63 H new ATOM 0 HG3 PRO A 72 -8.609 2.718 -11.568 1.00 0.63 H new ATOM 0 HD2 PRO A 72 -6.134 1.453 -12.172 1.00 0.60 H new ATOM 0 HD3 PRO A 72 -6.299 3.046 -11.462 1.00 0.60 H new ATOM 1050 N ALA A 73 -7.626 -1.249 -8.161 1.00 0.50 N ATOM 1051 CA ALA A 73 -7.649 -2.745 -8.097 1.00 0.52 C ATOM 1052 C ALA A 73 -8.468 -3.303 -9.269 1.00 0.59 C ATOM 1053 O ALA A 73 -8.129 -4.328 -9.833 1.00 0.62 O ATOM 1054 CB ALA A 73 -8.278 -3.191 -6.775 1.00 0.57 C ATOM 0 H ALA A 73 -8.033 -0.780 -7.352 1.00 0.50 H new ATOM 0 HA ALA A 73 -6.629 -3.123 -8.160 1.00 0.52 H new ATOM 0 HB1 ALA A 73 -8.294 -4.280 -6.729 1.00 0.57 H new ATOM 0 HB2 ALA A 73 -7.691 -2.801 -5.943 1.00 0.57 H new ATOM 0 HB3 ALA A 73 -9.297 -2.810 -6.710 1.00 0.57 H new ATOM 1060 N GLY A 74 -9.536 -2.630 -9.644 1.00 0.65 N ATOM 1061 CA GLY A 74 -10.376 -3.106 -10.787 1.00 0.74 C ATOM 1062 C GLY A 74 -9.508 -3.227 -12.045 1.00 0.75 C ATOM 1063 O GLY A 74 -9.613 -4.184 -12.788 1.00 0.83 O ATOM 0 H GLY A 74 -9.860 -1.769 -9.203 1.00 0.65 H new ATOM 0 HA2 GLY A 74 -10.823 -4.071 -10.547 1.00 0.74 H new ATOM 0 HA3 GLY A 74 -11.196 -2.410 -10.964 1.00 0.74 H new ATOM 1067 N ASN A 75 -8.643 -2.262 -12.277 1.00 0.71 N ATOM 1068 CA ASN A 75 -7.749 -2.308 -13.477 1.00 0.76 C ATOM 1069 C ASN A 75 -6.724 -3.442 -13.312 1.00 0.72 C ATOM 1070 O ASN A 75 -6.381 -4.114 -14.266 1.00 0.80 O ATOM 1071 CB ASN A 75 -7.017 -0.969 -13.617 1.00 0.77 C ATOM 1072 CG ASN A 75 -6.236 -0.942 -14.935 1.00 0.89 C ATOM 1073 OD1 ASN A 75 -6.797 -0.688 -15.982 1.00 1.12 O ATOM 1074 ND2 ASN A 75 -4.953 -1.194 -14.927 1.00 0.93 N ATOM 0 H ASN A 75 -8.520 -1.443 -11.682 1.00 0.71 H new ATOM 0 HA ASN A 75 -8.347 -2.490 -14.370 1.00 0.76 H new ATOM 0 HB2 ASN A 75 -7.733 -0.148 -13.591 1.00 0.77 H new ATOM 0 HB3 ASN A 75 -6.337 -0.826 -12.777 1.00 0.77 H new ATOM 0 HD21 ASN A 75 -4.424 -1.177 -15.799 1.00 0.93 H new ATOM 0 HD22 ASN A 75 -4.481 -1.407 -14.049 1.00 0.93 H new ATOM 1081 N ILE A 76 -6.241 -3.654 -12.107 1.00 0.64 N ATOM 1082 CA ILE A 76 -5.240 -4.744 -11.864 1.00 0.62 C ATOM 1083 C ILE A 76 -5.870 -6.102 -12.202 1.00 0.66 C ATOM 1084 O ILE A 76 -5.263 -6.924 -12.865 1.00 0.72 O ATOM 1085 CB ILE A 76 -4.813 -4.722 -10.388 1.00 0.56 C ATOM 1086 CG1 ILE A 76 -4.092 -3.402 -10.083 1.00 0.54 C ATOM 1087 CG2 ILE A 76 -3.874 -5.901 -10.099 1.00 0.57 C ATOM 1088 CD1 ILE A 76 -2.720 -3.384 -10.766 1.00 0.55 C ATOM 0 H ILE A 76 -6.499 -3.116 -11.279 1.00 0.64 H new ATOM 0 HA ILE A 76 -4.366 -4.587 -12.496 1.00 0.62 H new ATOM 0 HB ILE A 76 -5.698 -4.807 -9.757 1.00 0.56 H new ATOM 0 HG12 ILE A 76 -4.692 -2.561 -10.432 1.00 0.54 H new ATOM 0 HG13 ILE A 76 -3.973 -3.284 -9.006 1.00 0.54 H new ATOM 0 HG21 ILE A 76 -3.575 -5.880 -9.051 1.00 0.57 H new ATOM 0 HG22 ILE A 76 -4.390 -6.838 -10.310 1.00 0.57 H new ATOM 0 HG23 ILE A 76 -2.989 -5.824 -10.730 1.00 0.57 H new ATOM 0 HD11 ILE A 76 -2.215 -2.444 -10.544 1.00 0.55 H new ATOM 0 HD12 ILE A 76 -2.119 -4.215 -10.396 1.00 0.55 H new ATOM 0 HD13 ILE A 76 -2.849 -3.481 -11.844 1.00 0.55 H new ATOM 1100 N PHE A 77 -7.084 -6.334 -11.757 1.00 0.67 N ATOM 1101 CA PHE A 77 -7.771 -7.629 -12.051 1.00 0.73 C ATOM 1102 C PHE A 77 -8.069 -7.722 -13.555 1.00 0.81 C ATOM 1103 O PHE A 77 -7.976 -8.781 -14.148 1.00 0.89 O ATOM 1104 CB PHE A 77 -9.083 -7.694 -11.263 1.00 0.76 C ATOM 1105 CG PHE A 77 -9.511 -9.133 -11.097 1.00 0.77 C ATOM 1106 CD1 PHE A 77 -10.291 -9.750 -12.082 1.00 0.85 C ATOM 1107 CD2 PHE A 77 -9.128 -9.849 -9.956 1.00 0.83 C ATOM 1108 CE1 PHE A 77 -10.690 -11.082 -11.926 1.00 0.92 C ATOM 1109 CE2 PHE A 77 -9.526 -11.182 -9.801 1.00 0.89 C ATOM 1110 CZ PHE A 77 -10.307 -11.798 -10.786 1.00 0.89 C ATOM 0 H PHE A 77 -7.629 -5.676 -11.200 1.00 0.67 H new ATOM 0 HA PHE A 77 -7.128 -8.459 -11.759 1.00 0.73 H new ATOM 0 HB2 PHE A 77 -8.954 -7.229 -10.286 1.00 0.76 H new ATOM 0 HB3 PHE A 77 -9.859 -7.132 -11.784 1.00 0.76 H new ATOM 0 HD1 PHE A 77 -10.585 -9.198 -12.962 1.00 0.85 H new ATOM 0 HD2 PHE A 77 -8.526 -9.373 -9.196 1.00 0.83 H new ATOM 0 HE1 PHE A 77 -11.293 -11.558 -12.685 1.00 0.92 H new ATOM 0 HE2 PHE A 77 -9.231 -11.735 -8.922 1.00 0.89 H new ATOM 0 HZ PHE A 77 -10.614 -12.826 -10.666 1.00 0.89 H new ATOM 1120 N LEU A 78 -8.421 -6.615 -14.169 1.00 0.83 N ATOM 1121 CA LEU A 78 -8.725 -6.614 -15.634 1.00 0.92 C ATOM 1122 C LEU A 78 -7.444 -6.887 -16.436 1.00 0.96 C ATOM 1123 O LEU A 78 -7.477 -7.536 -17.464 1.00 1.05 O ATOM 1124 CB LEU A 78 -9.283 -5.241 -16.035 1.00 0.95 C ATOM 1125 CG LEU A 78 -10.789 -5.338 -16.303 1.00 1.03 C ATOM 1126 CD1 LEU A 78 -11.041 -6.257 -17.503 1.00 1.17 C ATOM 1127 CD2 LEU A 78 -11.497 -5.900 -15.066 1.00 1.03 C ATOM 0 H LEU A 78 -8.511 -5.707 -13.713 1.00 0.83 H new ATOM 0 HA LEU A 78 -9.458 -7.392 -15.847 1.00 0.92 H new ATOM 0 HB2 LEU A 78 -9.093 -4.518 -15.242 1.00 0.95 H new ATOM 0 HB3 LEU A 78 -8.771 -4.878 -16.926 1.00 0.95 H new ATOM 0 HG LEU A 78 -11.181 -4.345 -16.522 1.00 1.03 H new ATOM 0 HD11 LEU A 78 -12.113 -6.324 -17.691 1.00 1.17 H new ATOM 0 HD12 LEU A 78 -10.543 -5.851 -18.383 1.00 1.17 H new ATOM 0 HD13 LEU A 78 -10.647 -7.251 -17.289 1.00 1.17 H new ATOM 0 HD21 LEU A 78 -12.568 -5.968 -15.259 1.00 1.03 H new ATOM 0 HD22 LEU A 78 -11.105 -6.892 -14.842 1.00 1.03 H new ATOM 0 HD23 LEU A 78 -11.323 -5.240 -14.216 1.00 1.03 H new ATOM 1139 N LYS A 79 -6.322 -6.389 -15.968 1.00 0.91 N ATOM 1140 CA LYS A 79 -5.029 -6.602 -16.688 1.00 0.96 C ATOM 1141 C LYS A 79 -4.527 -8.032 -16.451 1.00 0.94 C ATOM 1142 O LYS A 79 -4.311 -8.780 -17.387 1.00 1.06 O ATOM 1143 CB LYS A 79 -3.996 -5.606 -16.157 1.00 0.94 C ATOM 1144 CG LYS A 79 -3.096 -5.127 -17.301 1.00 1.16 C ATOM 1145 CD LYS A 79 -2.408 -3.811 -16.912 1.00 1.18 C ATOM 1146 CE LYS A 79 -1.957 -3.860 -15.442 1.00 1.23 C ATOM 1147 NZ LYS A 79 -0.481 -3.656 -15.358 1.00 1.58 N ATOM 0 H LYS A 79 -6.249 -5.840 -15.111 1.00 0.91 H new ATOM 0 HA LYS A 79 -5.179 -6.451 -17.757 1.00 0.96 H new ATOM 0 HB2 LYS A 79 -4.500 -4.755 -15.699 1.00 0.94 H new ATOM 0 HB3 LYS A 79 -3.392 -6.075 -15.380 1.00 0.94 H new ATOM 0 HG2 LYS A 79 -2.347 -5.886 -17.527 1.00 1.16 H new ATOM 0 HG3 LYS A 79 -3.688 -4.984 -18.205 1.00 1.16 H new ATOM 0 HD2 LYS A 79 -1.547 -3.638 -17.558 1.00 1.18 H new ATOM 0 HD3 LYS A 79 -3.093 -2.976 -17.062 1.00 1.18 H new ATOM 0 HE2 LYS A 79 -2.473 -3.090 -14.868 1.00 1.23 H new ATOM 0 HE3 LYS A 79 -2.226 -4.820 -15.001 1.00 1.23 H new ATOM 0 HZ1 LYS A 79 -0.182 -3.690 -14.363 1.00 1.58 H new ATOM 0 HZ2 LYS A 79 0.004 -4.406 -15.891 1.00 1.58 H new ATOM 0 HZ3 LYS A 79 -0.235 -2.730 -15.762 1.00 1.58 H new ATOM 1161 N HIS A 80 -4.333 -8.407 -15.206 1.00 0.86 N ATOM 1162 CA HIS A 80 -3.833 -9.783 -14.895 1.00 0.88 C ATOM 1163 C HIS A 80 -4.930 -10.591 -14.193 1.00 0.88 C ATOM 1164 O HIS A 80 -5.348 -11.625 -14.681 1.00 0.98 O ATOM 1165 CB HIS A 80 -2.604 -9.681 -13.986 1.00 0.85 C ATOM 1166 CG HIS A 80 -1.469 -9.056 -14.750 1.00 0.89 C ATOM 1167 ND1 HIS A 80 -0.701 -9.774 -15.653 1.00 0.97 N ATOM 1168 CD2 HIS A 80 -0.962 -7.779 -14.758 1.00 0.99 C ATOM 1169 CE1 HIS A 80 0.218 -8.933 -16.162 1.00 1.04 C ATOM 1170 NE2 HIS A 80 0.103 -7.705 -15.650 1.00 1.06 N ATOM 0 H HIS A 80 -4.501 -7.816 -14.392 1.00 0.86 H new ATOM 0 HA HIS A 80 -3.561 -10.287 -15.822 1.00 0.88 H new ATOM 0 HB2 HIS A 80 -2.838 -9.082 -13.106 1.00 0.85 H new ATOM 0 HB3 HIS A 80 -2.317 -10.671 -13.631 1.00 0.85 H new ATOM 0 HD1 HIS A 80 -0.812 -10.760 -15.889 1.00 0.97 H new ATOM 0 HD2 HIS A 80 -1.334 -6.958 -14.163 1.00 0.99 H new ATOM 0 HE1 HIS A 80 0.958 -9.217 -16.895 1.00 1.04 H new ATOM 1178 N GLY A 81 -5.392 -10.131 -13.052 1.00 0.82 N ATOM 1179 CA GLY A 81 -6.459 -10.870 -12.311 1.00 0.84 C ATOM 1180 C GLY A 81 -5.945 -11.251 -10.920 1.00 0.84 C ATOM 1181 O GLY A 81 -5.627 -10.397 -10.115 1.00 1.05 O ATOM 0 H GLY A 81 -5.073 -9.272 -12.603 1.00 0.82 H new ATOM 0 HA2 GLY A 81 -7.351 -10.250 -12.223 1.00 0.84 H new ATOM 0 HA3 GLY A 81 -6.746 -11.766 -12.862 1.00 0.84 H new ATOM 1185 N SER A 82 -5.863 -12.530 -10.637 1.00 0.75 N ATOM 1186 CA SER A 82 -5.371 -12.985 -9.297 1.00 0.80 C ATOM 1187 C SER A 82 -3.897 -13.425 -9.381 1.00 0.80 C ATOM 1188 O SER A 82 -3.245 -13.603 -8.368 1.00 1.24 O ATOM 1189 CB SER A 82 -6.231 -14.157 -8.811 1.00 0.87 C ATOM 1190 OG SER A 82 -6.181 -15.213 -9.763 1.00 0.92 O ATOM 0 H SER A 82 -6.117 -13.281 -11.279 1.00 0.75 H new ATOM 0 HA SER A 82 -5.446 -12.155 -8.594 1.00 0.80 H new ATOM 0 HB2 SER A 82 -5.871 -14.508 -7.844 1.00 0.87 H new ATOM 0 HB3 SER A 82 -7.261 -13.831 -8.669 1.00 0.87 H new ATOM 0 HG SER A 82 -6.730 -15.962 -9.450 1.00 0.92 H new ATOM 1196 N GLU A 83 -3.368 -13.603 -10.572 1.00 0.60 N ATOM 1197 CA GLU A 83 -1.942 -14.034 -10.712 1.00 0.56 C ATOM 1198 C GLU A 83 -1.013 -12.839 -10.441 1.00 0.52 C ATOM 1199 O GLU A 83 -0.843 -11.970 -11.279 1.00 0.59 O ATOM 1200 CB GLU A 83 -1.715 -14.571 -12.133 1.00 0.59 C ATOM 1201 CG GLU A 83 -0.259 -15.020 -12.301 1.00 0.63 C ATOM 1202 CD GLU A 83 0.289 -14.491 -13.630 1.00 0.63 C ATOM 1203 OE1 GLU A 83 0.651 -13.326 -13.677 1.00 0.70 O ATOM 1204 OE2 GLU A 83 0.339 -15.256 -14.579 1.00 0.72 O ATOM 0 H GLU A 83 -3.865 -13.467 -11.452 1.00 0.60 H new ATOM 0 HA GLU A 83 -1.721 -14.821 -9.991 1.00 0.56 H new ATOM 0 HB2 GLU A 83 -2.386 -15.408 -12.325 1.00 0.59 H new ATOM 0 HB3 GLU A 83 -1.952 -13.798 -12.864 1.00 0.59 H new ATOM 0 HG2 GLU A 83 0.345 -14.649 -11.473 1.00 0.63 H new ATOM 0 HG3 GLU A 83 -0.198 -16.108 -12.278 1.00 0.63 H new ATOM 1211 N LEU A 84 -0.417 -12.794 -9.269 1.00 0.47 N ATOM 1212 CA LEU A 84 0.502 -11.663 -8.920 1.00 0.44 C ATOM 1213 C LEU A 84 1.683 -12.178 -8.078 1.00 0.39 C ATOM 1214 O LEU A 84 1.670 -13.292 -7.584 1.00 0.40 O ATOM 1215 CB LEU A 84 -0.270 -10.603 -8.123 1.00 0.47 C ATOM 1216 CG LEU A 84 -1.031 -9.683 -9.084 1.00 0.50 C ATOM 1217 CD1 LEU A 84 -1.942 -8.749 -8.285 1.00 0.58 C ATOM 1218 CD2 LEU A 84 -0.036 -8.847 -9.896 1.00 0.57 C ATOM 0 H LEU A 84 -0.530 -13.496 -8.538 1.00 0.47 H new ATOM 0 HA LEU A 84 0.887 -11.223 -9.840 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -0.967 -11.086 -7.439 1.00 0.47 H new ATOM 0 HB3 LEU A 84 0.420 -10.018 -7.515 1.00 0.47 H new ATOM 0 HG LEU A 84 -1.632 -10.290 -9.761 1.00 0.50 H new ATOM 0 HD11 LEU A 84 -2.483 -8.095 -8.969 1.00 0.58 H new ATOM 0 HD12 LEU A 84 -2.654 -9.340 -7.709 1.00 0.58 H new ATOM 0 HD13 LEU A 84 -1.339 -8.145 -7.607 1.00 0.58 H new ATOM 0 HD21 LEU A 84 -0.581 -8.194 -10.578 1.00 0.57 H new ATOM 0 HD22 LEU A 84 0.568 -8.242 -9.220 1.00 0.57 H new ATOM 0 HD23 LEU A 84 0.613 -9.509 -10.469 1.00 0.57 H new ATOM 1230 N ARG A 85 2.702 -11.364 -7.919 1.00 0.40 N ATOM 1231 CA ARG A 85 3.903 -11.772 -7.121 1.00 0.39 C ATOM 1232 C ARG A 85 4.482 -10.544 -6.403 1.00 0.37 C ATOM 1233 O ARG A 85 4.466 -9.450 -6.932 1.00 0.43 O ATOM 1234 CB ARG A 85 4.965 -12.352 -8.063 1.00 0.41 C ATOM 1235 CG ARG A 85 4.800 -13.871 -8.159 1.00 0.57 C ATOM 1236 CD ARG A 85 5.174 -14.337 -9.569 1.00 0.71 C ATOM 1237 NE ARG A 85 5.528 -15.786 -9.538 1.00 0.96 N ATOM 1238 CZ ARG A 85 6.769 -16.158 -9.700 1.00 1.10 C ATOM 1239 NH1 ARG A 85 7.238 -16.358 -10.903 1.00 1.32 N ATOM 1240 NH2 ARG A 85 7.539 -16.333 -8.657 1.00 1.63 N ATOM 0 H ARG A 85 2.752 -10.424 -8.313 1.00 0.40 H new ATOM 0 HA ARG A 85 3.613 -12.523 -6.386 1.00 0.39 H new ATOM 0 HB2 ARG A 85 4.871 -11.904 -9.052 1.00 0.41 H new ATOM 0 HB3 ARG A 85 5.962 -12.108 -7.696 1.00 0.41 H new ATOM 0 HG2 ARG A 85 5.434 -14.364 -7.422 1.00 0.57 H new ATOM 0 HG3 ARG A 85 3.771 -14.151 -7.933 1.00 0.57 H new ATOM 0 HD2 ARG A 85 4.341 -14.170 -10.251 1.00 0.71 H new ATOM 0 HD3 ARG A 85 6.015 -13.754 -9.945 1.00 0.71 H new ATOM 0 HE ARG A 85 4.801 -16.486 -9.390 1.00 0.96 H new ATOM 0 HH11 ARG A 85 6.635 -16.223 -11.714 1.00 1.32 H new ATOM 0 HH12 ARG A 85 8.207 -16.649 -11.031 1.00 1.32 H new ATOM 0 HH21 ARG A 85 7.170 -16.179 -7.719 1.00 1.63 H new ATOM 0 HH22 ARG A 85 8.509 -16.624 -8.782 1.00 1.63 H new ATOM 1254 N LEU A 86 4.991 -10.716 -5.204 1.00 0.37 N ATOM 1255 CA LEU A 86 5.569 -9.552 -4.459 1.00 0.38 C ATOM 1256 C LEU A 86 7.100 -9.619 -4.481 1.00 0.36 C ATOM 1257 O LEU A 86 7.691 -10.674 -4.323 1.00 0.44 O ATOM 1258 CB LEU A 86 5.088 -9.564 -3.003 1.00 0.43 C ATOM 1259 CG LEU A 86 5.079 -8.130 -2.460 1.00 0.51 C ATOM 1260 CD1 LEU A 86 3.711 -7.817 -1.851 1.00 0.69 C ATOM 1261 CD2 LEU A 86 6.161 -7.982 -1.387 1.00 0.76 C ATOM 0 H LEU A 86 5.031 -11.609 -4.712 1.00 0.37 H new ATOM 0 HA LEU A 86 5.237 -8.634 -4.944 1.00 0.38 H new ATOM 0 HB2 LEU A 86 4.088 -9.994 -2.942 1.00 0.43 H new ATOM 0 HB3 LEU A 86 5.743 -10.190 -2.397 1.00 0.43 H new ATOM 0 HG LEU A 86 5.278 -7.435 -3.276 1.00 0.51 H new ATOM 0 HD11 LEU A 86 3.709 -6.797 -1.466 1.00 0.69 H new ATOM 0 HD12 LEU A 86 2.941 -7.918 -2.615 1.00 0.69 H new ATOM 0 HD13 LEU A 86 3.508 -8.512 -1.037 1.00 0.69 H new ATOM 0 HD21 LEU A 86 6.154 -6.962 -1.001 1.00 0.76 H new ATOM 0 HD22 LEU A 86 5.964 -8.679 -0.573 1.00 0.76 H new ATOM 0 HD23 LEU A 86 7.137 -8.199 -1.822 1.00 0.76 H new ATOM 1273 N ILE A 87 7.737 -8.489 -4.662 1.00 0.35 N ATOM 1274 CA ILE A 87 9.231 -8.443 -4.684 1.00 0.38 C ATOM 1275 C ILE A 87 9.695 -7.107 -4.080 1.00 0.43 C ATOM 1276 O ILE A 87 9.269 -6.052 -4.519 1.00 0.49 O ATOM 1277 CB ILE A 87 9.741 -8.584 -6.129 1.00 0.41 C ATOM 1278 CG1 ILE A 87 11.260 -8.374 -6.164 1.00 0.48 C ATOM 1279 CG2 ILE A 87 9.065 -7.548 -7.038 1.00 0.52 C ATOM 1280 CD1 ILE A 87 11.820 -8.872 -7.499 1.00 0.56 C ATOM 0 H ILE A 87 7.280 -7.587 -4.797 1.00 0.35 H new ATOM 0 HA ILE A 87 9.636 -9.267 -4.097 1.00 0.38 H new ATOM 0 HB ILE A 87 9.499 -9.584 -6.488 1.00 0.41 H new ATOM 0 HG12 ILE A 87 11.494 -7.318 -6.032 1.00 0.48 H new ATOM 0 HG13 ILE A 87 11.730 -8.910 -5.339 1.00 0.48 H new ATOM 0 HG21 ILE A 87 9.436 -7.660 -8.057 1.00 0.52 H new ATOM 0 HG22 ILE A 87 7.986 -7.702 -7.026 1.00 0.52 H new ATOM 0 HG23 ILE A 87 9.292 -6.545 -6.678 1.00 0.52 H new ATOM 0 HD11 ILE A 87 12.899 -8.721 -7.520 1.00 0.56 H new ATOM 0 HD12 ILE A 87 11.600 -9.933 -7.613 1.00 0.56 H new ATOM 0 HD13 ILE A 87 11.360 -8.317 -8.316 1.00 0.56 H new ATOM 1292 N PRO A 88 10.549 -7.191 -3.084 1.00 0.55 N ATOM 1293 CA PRO A 88 11.080 -6.002 -2.391 1.00 0.68 C ATOM 1294 C PRO A 88 12.131 -5.296 -3.260 1.00 0.62 C ATOM 1295 O PRO A 88 13.268 -5.725 -3.358 1.00 0.68 O ATOM 1296 CB PRO A 88 11.693 -6.574 -1.108 1.00 0.88 C ATOM 1297 CG PRO A 88 11.978 -8.067 -1.387 1.00 0.89 C ATOM 1298 CD PRO A 88 11.066 -8.475 -2.560 1.00 0.68 C ATOM 0 HA PRO A 88 10.321 -5.248 -2.183 1.00 0.68 H new ATOM 0 HB2 PRO A 88 12.610 -6.046 -0.847 1.00 0.88 H new ATOM 0 HB3 PRO A 88 11.009 -6.460 -0.267 1.00 0.88 H new ATOM 0 HG2 PRO A 88 13.027 -8.221 -1.640 1.00 0.89 H new ATOM 0 HG3 PRO A 88 11.770 -8.673 -0.505 1.00 0.89 H new ATOM 0 HD2 PRO A 88 11.620 -9.022 -3.323 1.00 0.68 H new ATOM 0 HD3 PRO A 88 10.256 -9.124 -2.227 1.00 0.68 H new ATOM 1306 N ARG A 89 11.743 -4.211 -3.890 1.00 0.71 N ATOM 1307 CA ARG A 89 12.689 -3.447 -4.758 1.00 0.78 C ATOM 1308 C ARG A 89 13.675 -2.677 -3.874 1.00 0.95 C ATOM 1309 O ARG A 89 13.355 -1.636 -3.328 1.00 1.21 O ATOM 1310 CB ARG A 89 11.899 -2.458 -5.626 1.00 0.99 C ATOM 1311 CG ARG A 89 12.065 -2.813 -7.106 1.00 1.24 C ATOM 1312 CD ARG A 89 12.576 -1.589 -7.868 1.00 1.58 C ATOM 1313 NE ARG A 89 14.036 -1.742 -8.133 1.00 1.74 N ATOM 1314 CZ ARG A 89 14.884 -0.882 -7.635 1.00 1.92 C ATOM 1315 NH1 ARG A 89 15.140 0.229 -8.280 1.00 2.47 N ATOM 1316 NH2 ARG A 89 15.471 -1.131 -6.492 1.00 2.08 N ATOM 0 H ARG A 89 10.802 -3.821 -3.837 1.00 0.71 H new ATOM 0 HA ARG A 89 13.236 -4.137 -5.401 1.00 0.78 H new ATOM 0 HB2 ARG A 89 10.844 -2.484 -5.353 1.00 0.99 H new ATOM 0 HB3 ARG A 89 12.250 -1.442 -5.446 1.00 0.99 H new ATOM 0 HG2 ARG A 89 12.764 -3.642 -7.216 1.00 1.24 H new ATOM 0 HG3 ARG A 89 11.113 -3.142 -7.521 1.00 1.24 H new ATOM 0 HD2 ARG A 89 12.034 -1.480 -8.808 1.00 1.58 H new ATOM 0 HD3 ARG A 89 12.394 -0.684 -7.288 1.00 1.58 H new ATOM 0 HE ARG A 89 14.372 -2.518 -8.703 1.00 1.74 H new ATOM 0 HH11 ARG A 89 14.678 0.421 -9.169 1.00 2.47 H new ATOM 0 HH12 ARG A 89 15.802 0.902 -7.893 1.00 2.47 H new ATOM 0 HH21 ARG A 89 15.266 -1.996 -5.991 1.00 2.08 H new ATOM 0 HH22 ARG A 89 16.133 -0.460 -6.102 1.00 2.08 H new ATOM 1330 N ASP A 90 14.874 -3.188 -3.730 1.00 0.89 N ATOM 1331 CA ASP A 90 15.898 -2.500 -2.881 1.00 1.14 C ATOM 1332 C ASP A 90 17.281 -3.106 -3.146 1.00 0.98 C ATOM 1333 O ASP A 90 17.404 -4.239 -3.579 1.00 0.88 O ATOM 1334 CB ASP A 90 15.552 -2.650 -1.388 1.00 1.51 C ATOM 1335 CG ASP A 90 14.717 -3.915 -1.150 1.00 1.17 C ATOM 1336 OD1 ASP A 90 15.275 -4.997 -1.233 1.00 1.19 O ATOM 1337 OD2 ASP A 90 13.533 -3.779 -0.885 1.00 1.24 O ATOM 0 H ASP A 90 15.189 -4.055 -4.165 1.00 0.89 H new ATOM 0 HA ASP A 90 15.905 -1.440 -3.137 1.00 1.14 H new ATOM 0 HB2 ASP A 90 16.469 -2.697 -0.800 1.00 1.51 H new ATOM 0 HB3 ASP A 90 15.000 -1.774 -1.048 1.00 1.51 H new ATOM 1342 N ARG A 91 18.322 -2.352 -2.887 1.00 1.15 N ATOM 1343 CA ARG A 91 19.708 -2.859 -3.123 1.00 1.25 C ATOM 1344 C ARG A 91 20.034 -3.992 -2.141 1.00 1.44 C ATOM 1345 O ARG A 91 20.563 -5.017 -2.530 1.00 1.57 O ATOM 1346 CB ARG A 91 20.709 -1.715 -2.935 1.00 1.43 C ATOM 1347 CG ARG A 91 21.544 -1.553 -4.207 1.00 1.53 C ATOM 1348 CD ARG A 91 20.761 -0.732 -5.234 1.00 2.09 C ATOM 1349 NE ARG A 91 20.626 -1.514 -6.497 1.00 2.28 N ATOM 1350 CZ ARG A 91 19.581 -2.274 -6.690 1.00 2.38 C ATOM 1351 NH1 ARG A 91 18.445 -1.743 -7.062 1.00 2.86 N ATOM 1352 NH2 ARG A 91 19.670 -3.566 -6.512 1.00 2.17 N ATOM 0 H ARG A 91 18.269 -1.402 -2.520 1.00 1.15 H new ATOM 0 HA ARG A 91 19.776 -3.243 -4.141 1.00 1.25 H new ATOM 0 HB2 ARG A 91 20.180 -0.788 -2.714 1.00 1.43 H new ATOM 0 HB3 ARG A 91 21.359 -1.922 -2.085 1.00 1.43 H new ATOM 0 HG2 ARG A 91 22.487 -1.059 -3.974 1.00 1.53 H new ATOM 0 HG3 ARG A 91 21.790 -2.531 -4.620 1.00 1.53 H new ATOM 0 HD2 ARG A 91 19.775 -0.483 -4.841 1.00 2.09 H new ATOM 0 HD3 ARG A 91 21.274 0.210 -5.430 1.00 2.09 H new ATOM 0 HE ARG A 91 21.351 -1.455 -7.212 1.00 2.28 H new ATOM 0 HH11 ARG A 91 18.375 -0.735 -7.202 1.00 2.86 H new ATOM 0 HH12 ARG A 91 17.629 -2.337 -7.213 1.00 2.86 H new ATOM 0 HH21 ARG A 91 20.556 -3.981 -6.222 1.00 2.17 H new ATOM 0 HH22 ARG A 91 18.854 -4.159 -6.663 1.00 2.17 H new ATOM 1366 N VAL A 92 19.732 -3.814 -0.876 1.00 1.60 N ATOM 1367 CA VAL A 92 20.036 -4.884 0.125 1.00 1.91 C ATOM 1368 C VAL A 92 18.766 -5.691 0.444 1.00 2.13 C ATOM 1369 O VAL A 92 17.719 -5.139 0.735 1.00 2.22 O ATOM 1370 CB VAL A 92 20.602 -4.251 1.410 1.00 2.05 C ATOM 1371 CG1 VAL A 92 19.620 -3.217 1.978 1.00 2.14 C ATOM 1372 CG2 VAL A 92 20.849 -5.344 2.456 1.00 2.37 C ATOM 0 H VAL A 92 19.290 -2.977 -0.496 1.00 1.60 H new ATOM 0 HA VAL A 92 20.780 -5.561 -0.295 1.00 1.91 H new ATOM 0 HB VAL A 92 21.540 -3.752 1.168 1.00 2.05 H new ATOM 0 HG11 VAL A 92 20.036 -2.780 2.886 1.00 2.14 H new ATOM 0 HG12 VAL A 92 19.452 -2.432 1.241 1.00 2.14 H new ATOM 0 HG13 VAL A 92 18.673 -3.704 2.211 1.00 2.14 H new ATOM 0 HG21 VAL A 92 21.250 -4.894 3.365 1.00 2.37 H new ATOM 0 HG22 VAL A 92 19.910 -5.848 2.684 1.00 2.37 H new ATOM 0 HG23 VAL A 92 21.564 -6.068 2.064 1.00 2.37 H new ATOM 1382 N GLY A 93 18.866 -7.000 0.387 1.00 2.40 N ATOM 1383 CA GLY A 93 17.689 -7.873 0.686 1.00 2.69 C ATOM 1384 C GLY A 93 16.674 -7.792 -0.456 1.00 2.27 C ATOM 1385 O GLY A 93 15.499 -7.561 -0.234 1.00 2.04 O ATOM 0 H GLY A 93 19.720 -7.502 0.144 1.00 2.40 H new ATOM 0 HA2 GLY A 93 18.016 -8.904 0.821 1.00 2.69 H new ATOM 0 HA3 GLY A 93 17.223 -7.561 1.621 1.00 2.69 H new ATOM 1389 N HIS A 94 17.123 -7.986 -1.674 1.00 2.40 N ATOM 1390 CA HIS A 94 16.194 -7.927 -2.848 1.00 2.28 C ATOM 1391 C HIS A 94 15.240 -9.137 -2.839 1.00 2.57 C ATOM 1392 O HIS A 94 14.185 -9.032 -3.443 1.00 2.53 O ATOM 1393 CB HIS A 94 17.011 -7.934 -4.146 1.00 2.49 C ATOM 1394 CG HIS A 94 16.382 -7.004 -5.147 1.00 2.31 C ATOM 1395 ND1 HIS A 94 15.025 -7.029 -5.434 1.00 2.23 N ATOM 1396 CD2 HIS A 94 16.916 -6.024 -5.944 1.00 2.62 C ATOM 1397 CE1 HIS A 94 14.792 -6.091 -6.370 1.00 2.26 C ATOM 1398 NE2 HIS A 94 15.912 -5.448 -6.715 1.00 2.53 N ATOM 1399 OXT HIS A 94 15.575 -10.145 -2.231 1.00 2.92 O ATOM 0 H HIS A 94 18.096 -8.183 -1.906 1.00 2.40 H new ATOM 0 HA HIS A 94 15.605 -7.012 -2.785 1.00 2.28 H new ATOM 0 HB2 HIS A 94 18.037 -7.625 -3.943 1.00 2.49 H new ATOM 0 HB3 HIS A 94 17.057 -8.944 -4.553 1.00 2.49 H new ATOM 0 HD1 HIS A 94 14.331 -7.646 -5.012 1.00 2.23 H new ATOM 0 HD2 HIS A 94 17.958 -5.742 -5.969 1.00 2.62 H new ATOM 0 HE1 HIS A 94 13.819 -5.883 -6.791 1.00 2.26 H new TER 1407 HIS A 94