USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 547 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 2 SER OG : rot -30:sc= 0.514 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 6 TYR OH : rot 168:sc= -0.038 USER MOD Single : A 7 SER OG : rot 80:sc= 0.5 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 172:sc= -0.0112 (180deg=-0.0845) USER MOD Single : A 15 CYS SG : rot 26:sc= 0.302 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.453 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.22 K(o=1.2,f=-5.3!) USER MOD Single : A 28 GLN : amide:sc=-0.00273 X(o=-0.0027,f=-0.15) USER MOD Single : A 33 ASN : amide:sc= 0.192 K(o=0.19,f=-0.4) USER MOD Single : A 34 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 36 GLN : amide:sc= 0.793 K(o=0.79,f=-0.17) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.55! C(o=-2.5!,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.02 K(o=1,f=-0.14) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.157 USER MOD Single : A 71 GLN : amide:sc= 0.688 K(o=0.69,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.475 8.705 -15.873 1.00 2.74 N ATOM 2 CA SER A 2 -8.651 7.268 -16.016 1.00 2.82 C ATOM 3 C SER A 2 -7.384 6.566 -15.514 1.00 1.89 C ATOM 4 O SER A 2 -6.734 5.832 -16.254 1.00 2.36 O ATOM 5 CB SER A 2 -8.981 6.935 -17.485 1.00 4.00 C ATOM 6 OG SER A 2 -8.324 7.827 -18.383 1.00 4.34 O ATOM 0 HA SER A 2 -9.487 6.910 -15.415 1.00 2.82 H new ATOM 0 HB2 SER A 2 -8.680 5.910 -17.703 1.00 4.00 H new ATOM 0 HB3 SER A 2 -10.059 6.991 -17.639 1.00 4.00 H new ATOM 0 HG SER A 2 -8.210 8.700 -17.952 1.00 4.34 H new ATOM 12 N GLY A 3 -7.031 6.822 -14.249 1.00 1.55 N ATOM 13 CA GLY A 3 -5.920 6.154 -13.581 1.00 0.86 C ATOM 14 C GLY A 3 -6.272 4.697 -13.284 1.00 0.72 C ATOM 15 O GLY A 3 -7.248 4.165 -13.818 1.00 0.93 O ATOM 0 H GLY A 3 -7.513 7.502 -13.662 1.00 1.55 H new ATOM 0 HA2 GLY A 3 -5.030 6.199 -14.209 1.00 0.86 H new ATOM 0 HA3 GLY A 3 -5.681 6.673 -12.653 1.00 0.86 H new ATOM 19 N THR A 4 -5.514 4.023 -12.415 1.00 0.62 N ATOM 20 CA THR A 4 -5.873 2.676 -11.988 1.00 0.56 C ATOM 21 C THR A 4 -5.663 2.484 -10.504 1.00 0.48 C ATOM 22 O THR A 4 -4.677 2.937 -9.921 1.00 0.51 O ATOM 23 CB THR A 4 -5.150 1.612 -12.818 1.00 0.65 C ATOM 24 OG1 THR A 4 -5.454 1.902 -14.151 1.00 1.28 O ATOM 25 CG2 THR A 4 -5.676 0.197 -12.545 1.00 0.93 C ATOM 0 H THR A 4 -4.657 4.387 -11.999 1.00 0.62 H new ATOM 0 HA THR A 4 -6.940 2.549 -12.171 1.00 0.56 H new ATOM 0 HB THR A 4 -4.087 1.632 -12.578 1.00 0.65 H new ATOM 0 HG1 THR A 4 -5.014 1.250 -14.736 1.00 1.28 H new ATOM 0 HG21 THR A 4 -5.130 -0.519 -13.159 1.00 0.93 H new ATOM 0 HG22 THR A 4 -5.536 -0.046 -11.492 1.00 0.93 H new ATOM 0 HG23 THR A 4 -6.737 0.150 -12.790 1.00 0.93 H new ATOM 33 N ARG A 5 -6.624 1.759 -9.935 1.00 0.50 N ATOM 34 CA ARG A 5 -6.651 1.390 -8.553 1.00 0.47 C ATOM 35 C ARG A 5 -6.065 -0.006 -8.445 1.00 0.37 C ATOM 36 O ARG A 5 -6.510 -0.938 -9.106 1.00 0.58 O ATOM 37 CB ARG A 5 -8.092 1.359 -8.057 1.00 0.63 C ATOM 38 CG ARG A 5 -8.048 1.053 -6.560 1.00 0.76 C ATOM 39 CD ARG A 5 -9.347 0.436 -6.080 1.00 1.18 C ATOM 40 NE ARG A 5 -10.356 1.487 -5.907 1.00 1.53 N ATOM 41 CZ ARG A 5 -11.558 1.293 -5.352 1.00 2.33 C ATOM 42 NH1 ARG A 5 -11.940 0.050 -5.034 1.00 2.96 N ATOM 43 NH2 ARG A 5 -12.360 2.335 -5.110 1.00 3.24 N ATOM 0 H ARG A 5 -7.427 1.408 -10.457 1.00 0.50 H new ATOM 0 HA ARG A 5 -6.085 2.105 -7.956 1.00 0.47 H new ATOM 0 HB2 ARG A 5 -8.583 2.315 -8.240 1.00 0.63 H new ATOM 0 HB3 ARG A 5 -8.666 0.599 -8.588 1.00 0.63 H new ATOM 0 HG2 ARG A 5 -7.222 0.373 -6.351 1.00 0.76 H new ATOM 0 HG3 ARG A 5 -7.853 1.971 -6.006 1.00 0.76 H new ATOM 0 HD2 ARG A 5 -9.698 -0.304 -6.799 1.00 1.18 H new ATOM 0 HD3 ARG A 5 -9.187 -0.087 -5.137 1.00 1.18 H new ATOM 0 HE ARG A 5 -10.126 2.427 -6.231 1.00 1.53 H new ATOM 0 HH11 ARG A 5 -11.317 -0.737 -5.215 1.00 2.96 H new ATOM 0 HH12 ARG A 5 -12.854 -0.110 -4.610 1.00 2.96 H new ATOM 0 HH21 ARG A 5 -12.056 3.279 -5.349 1.00 3.24 H new ATOM 0 HH22 ARG A 5 -13.276 2.186 -4.687 1.00 3.24 H new ATOM 57 N TYR A 6 -5.083 -0.109 -7.571 1.00 0.24 N ATOM 58 CA TYR A 6 -4.453 -1.326 -7.091 1.00 0.25 C ATOM 59 C TYR A 6 -4.886 -1.670 -5.675 1.00 0.23 C ATOM 60 O TYR A 6 -4.694 -0.834 -4.794 1.00 0.37 O ATOM 61 CB TYR A 6 -2.958 -1.110 -7.181 1.00 0.34 C ATOM 62 CG TYR A 6 -2.513 -0.518 -8.486 1.00 0.48 C ATOM 63 CD1 TYR A 6 -3.076 -0.980 -9.689 1.00 1.65 C ATOM 64 CD2 TYR A 6 -1.631 0.569 -8.486 1.00 2.20 C ATOM 65 CE1 TYR A 6 -2.792 -0.319 -10.890 1.00 1.63 C ATOM 66 CE2 TYR A 6 -1.332 1.208 -9.691 1.00 2.34 C ATOM 67 CZ TYR A 6 -1.934 0.791 -10.890 1.00 0.94 C ATOM 68 OH TYR A 6 -1.635 1.440 -12.050 1.00 1.21 O ATOM 0 H TYR A 6 -4.672 0.721 -7.144 1.00 0.24 H new ATOM 0 HA TYR A 6 -4.757 -2.177 -7.701 1.00 0.25 H new ATOM 0 HB2 TYR A 6 -2.645 -0.454 -6.369 1.00 0.34 H new ATOM 0 HB3 TYR A 6 -2.452 -2.064 -7.033 1.00 0.34 H new ATOM 0 HD1 TYR A 6 -3.726 -1.843 -9.686 1.00 1.65 H new ATOM 0 HD2 TYR A 6 -1.186 0.910 -7.563 1.00 2.20 H new ATOM 0 HE1 TYR A 6 -3.232 -0.663 -11.814 1.00 1.63 H new ATOM 0 HE2 TYR A 6 -0.632 2.030 -9.701 1.00 2.34 H new ATOM 0 HH TYR A 6 -1.196 2.292 -11.845 1.00 1.21 H new ATOM 78 N SER A 7 -5.438 -2.874 -5.445 1.00 0.27 N ATOM 79 CA SER A 7 -5.764 -3.343 -4.104 1.00 0.30 C ATOM 80 C SER A 7 -4.666 -4.314 -3.614 1.00 0.27 C ATOM 81 O SER A 7 -4.041 -4.975 -4.442 1.00 0.28 O ATOM 82 CB SER A 7 -7.166 -3.965 -4.147 1.00 0.35 C ATOM 83 OG SER A 7 -8.071 -3.098 -4.821 1.00 1.93 O ATOM 0 H SER A 7 -5.666 -3.539 -6.184 1.00 0.27 H new ATOM 0 HA SER A 7 -5.787 -2.527 -3.381 1.00 0.30 H new ATOM 0 HB2 SER A 7 -7.128 -4.929 -4.655 1.00 0.35 H new ATOM 0 HB3 SER A 7 -7.519 -4.153 -3.133 1.00 0.35 H new ATOM 0 HG SER A 7 -7.954 -3.192 -5.789 1.00 1.93 H new ATOM 89 N TRP A 8 -4.410 -4.397 -2.298 1.00 0.25 N ATOM 90 CA TRP A 8 -3.632 -5.462 -1.644 1.00 0.29 C ATOM 91 C TRP A 8 -4.350 -5.890 -0.363 1.00 0.31 C ATOM 92 O TRP A 8 -5.148 -5.127 0.188 1.00 0.37 O ATOM 93 CB TRP A 8 -2.220 -5.059 -1.221 1.00 0.30 C ATOM 94 CG TRP A 8 -1.280 -4.389 -2.161 1.00 0.31 C ATOM 95 CD1 TRP A 8 -0.093 -4.847 -2.589 1.00 0.51 C ATOM 96 CD2 TRP A 8 -1.388 -3.101 -2.790 1.00 0.41 C ATOM 97 NE1 TRP A 8 0.627 -3.757 -3.073 1.00 0.89 N ATOM 98 CE2 TRP A 8 -0.080 -2.567 -2.909 1.00 0.90 C ATOM 99 CE3 TRP A 8 -2.164 -2.677 -3.879 1.00 0.71 C ATOM 100 CZ2 TRP A 8 -0.008 -1.304 -3.548 1.00 1.13 C ATOM 101 CZ3 TRP A 8 -1.411 -2.338 -5.049 1.00 0.69 C ATOM 102 CH2 TRP A 8 -0.437 -1.359 -4.862 1.00 0.51 C ATOM 0 H TRP A 8 -4.751 -3.699 -1.637 1.00 0.25 H new ATOM 0 HA TRP A 8 -3.550 -6.251 -2.391 1.00 0.29 H new ATOM 0 HB2 TRP A 8 -2.325 -4.401 -0.358 1.00 0.30 H new ATOM 0 HB3 TRP A 8 -1.725 -5.965 -0.872 1.00 0.30 H new ATOM 0 HD1 TRP A 8 0.243 -5.873 -2.563 1.00 0.51 H new ATOM 0 HE1 TRP A 8 1.554 -3.822 -3.494 1.00 0.89 H new ATOM 0 HE3 TRP A 8 -3.241 -2.612 -3.838 1.00 0.71 H new ATOM 0 HZ2 TRP A 8 0.341 -0.403 -3.065 1.00 1.13 H new ATOM 0 HZ3 TRP A 8 -1.585 -2.807 -6.006 1.00 0.69 H new ATOM 0 HH2 TRP A 8 -0.062 -0.720 -5.648 1.00 0.51 H new ATOM 113 N LYS A 9 -3.994 -7.082 0.129 1.00 0.32 N ATOM 114 CA LYS A 9 -4.444 -7.659 1.390 1.00 0.33 C ATOM 115 C LYS A 9 -3.225 -7.682 2.304 1.00 0.38 C ATOM 116 O LYS A 9 -2.299 -8.435 2.012 1.00 0.55 O ATOM 117 CB LYS A 9 -4.922 -9.096 1.124 1.00 0.43 C ATOM 118 CG LYS A 9 -6.146 -9.101 0.206 1.00 1.47 C ATOM 119 CD LYS A 9 -6.185 -10.330 -0.707 1.00 1.19 C ATOM 120 CE LYS A 9 -6.595 -11.624 -0.002 1.00 1.33 C ATOM 121 NZ LYS A 9 -7.176 -12.573 -0.977 1.00 2.04 N ATOM 0 H LYS A 9 -3.352 -7.697 -0.371 1.00 0.32 H new ATOM 0 HA LYS A 9 -5.260 -7.092 1.838 1.00 0.33 H new ATOM 0 HB2 LYS A 9 -4.118 -9.673 0.668 1.00 0.43 H new ATOM 0 HB3 LYS A 9 -5.168 -9.583 2.068 1.00 0.43 H new ATOM 0 HG2 LYS A 9 -7.052 -9.073 0.812 1.00 1.47 H new ATOM 0 HG3 LYS A 9 -6.143 -8.198 -0.404 1.00 1.47 H new ATOM 0 HD2 LYS A 9 -6.880 -10.139 -1.524 1.00 1.19 H new ATOM 0 HD3 LYS A 9 -5.200 -10.469 -1.152 1.00 1.19 H new ATOM 0 HE2 LYS A 9 -5.728 -12.074 0.482 1.00 1.33 H new ATOM 0 HE3 LYS A 9 -7.321 -11.406 0.782 1.00 1.33 H new ATOM 0 HZ1 LYS A 9 -7.451 -13.449 -0.488 1.00 2.04 H new ATOM 0 HZ2 LYS A 9 -8.014 -12.146 -1.420 1.00 2.04 H new ATOM 0 HZ3 LYS A 9 -6.471 -12.793 -1.710 1.00 2.04 H new ATOM 135 N VAL A 10 -3.189 -6.851 3.349 1.00 0.36 N ATOM 136 CA VAL A 10 -2.057 -6.751 4.260 1.00 0.42 C ATOM 137 C VAL A 10 -2.367 -7.582 5.511 1.00 0.58 C ATOM 138 O VAL A 10 -3.474 -8.097 5.653 1.00 1.27 O ATOM 139 CB VAL A 10 -1.809 -5.262 4.585 1.00 0.47 C ATOM 140 CG1 VAL A 10 -0.341 -5.012 4.933 1.00 0.55 C ATOM 141 CG2 VAL A 10 -2.121 -4.336 3.401 1.00 0.49 C ATOM 0 H VAL A 10 -3.957 -6.223 3.585 1.00 0.36 H new ATOM 0 HA VAL A 10 -1.144 -7.145 3.813 1.00 0.42 H new ATOM 0 HB VAL A 10 -2.471 -5.042 5.423 1.00 0.47 H new ATOM 0 HG11 VAL A 10 -0.195 -3.955 5.157 1.00 0.55 H new ATOM 0 HG12 VAL A 10 -0.066 -5.609 5.803 1.00 0.55 H new ATOM 0 HG13 VAL A 10 0.286 -5.293 4.087 1.00 0.55 H new ATOM 0 HG21 VAL A 10 -1.928 -3.302 3.687 1.00 0.49 H new ATOM 0 HG22 VAL A 10 -1.488 -4.602 2.554 1.00 0.49 H new ATOM 0 HG23 VAL A 10 -3.168 -4.446 3.120 1.00 0.49 H new ATOM 151 N SER A 11 -1.413 -7.724 6.435 1.00 0.29 N ATOM 152 CA SER A 11 -1.676 -8.303 7.744 1.00 0.33 C ATOM 153 C SER A 11 -0.753 -7.644 8.772 1.00 0.51 C ATOM 154 O SER A 11 0.459 -7.840 8.715 1.00 0.70 O ATOM 155 CB SER A 11 -1.498 -9.830 7.686 1.00 0.44 C ATOM 156 OG SER A 11 -2.558 -10.470 8.370 1.00 0.89 O ATOM 0 H SER A 11 -0.443 -7.441 6.293 1.00 0.29 H new ATOM 0 HA SER A 11 -2.706 -8.115 8.048 1.00 0.33 H new ATOM 0 HB2 SER A 11 -1.472 -10.162 6.648 1.00 0.44 H new ATOM 0 HB3 SER A 11 -0.545 -10.110 8.134 1.00 0.44 H new ATOM 0 HG SER A 11 -2.436 -11.441 8.326 1.00 0.89 H new ATOM 162 N GLY A 12 -1.320 -6.843 9.683 1.00 0.66 N ATOM 163 CA GLY A 12 -0.604 -6.269 10.825 1.00 0.91 C ATOM 164 C GLY A 12 -0.836 -4.764 10.968 1.00 0.83 C ATOM 165 O GLY A 12 -0.695 -4.205 12.055 1.00 1.02 O ATOM 0 H GLY A 12 -2.303 -6.573 9.645 1.00 0.66 H new ATOM 0 HA2 GLY A 12 -0.923 -6.771 11.739 1.00 0.91 H new ATOM 0 HA3 GLY A 12 0.463 -6.459 10.713 1.00 0.91 H new ATOM 169 N MET A 13 -1.186 -4.090 9.870 1.00 0.66 N ATOM 170 CA MET A 13 -1.469 -2.668 9.869 1.00 0.69 C ATOM 171 C MET A 13 -2.771 -2.400 10.628 1.00 0.84 C ATOM 172 O MET A 13 -3.825 -2.314 10.006 1.00 1.22 O ATOM 173 CB MET A 13 -1.543 -2.197 8.411 1.00 0.74 C ATOM 174 CG MET A 13 -1.641 -0.676 8.233 1.00 1.59 C ATOM 175 SD MET A 13 -3.224 0.008 7.658 1.00 2.12 S ATOM 176 CE MET A 13 -3.315 -0.630 5.972 1.00 1.89 C ATOM 0 H MET A 13 -1.279 -4.527 8.953 1.00 0.66 H new ATOM 0 HA MET A 13 -0.682 -2.110 10.377 1.00 0.69 H new ATOM 0 HB2 MET A 13 -0.659 -2.555 7.883 1.00 0.74 H new ATOM 0 HB3 MET A 13 -2.408 -2.661 7.937 1.00 0.74 H new ATOM 0 HG2 MET A 13 -1.402 -0.211 9.189 1.00 1.59 H new ATOM 0 HG3 MET A 13 -0.868 -0.370 7.528 1.00 1.59 H new ATOM 0 HE1 MET A 13 -4.296 -0.408 5.551 1.00 1.89 H new ATOM 0 HE2 MET A 13 -2.544 -0.159 5.363 1.00 1.89 H new ATOM 0 HE3 MET A 13 -3.160 -1.709 5.982 1.00 1.89 H new ATOM 186 N ASP A 14 -2.700 -2.254 11.955 1.00 0.84 N ATOM 187 CA ASP A 14 -3.834 -1.800 12.754 1.00 0.98 C ATOM 188 C ASP A 14 -3.381 -0.981 13.967 1.00 0.97 C ATOM 189 O ASP A 14 -3.538 -1.402 15.110 1.00 1.35 O ATOM 190 CB ASP A 14 -4.750 -2.977 13.124 1.00 1.39 C ATOM 191 CG ASP A 14 -6.154 -2.517 13.516 1.00 2.18 C ATOM 192 OD1 ASP A 14 -6.433 -1.304 13.390 1.00 3.27 O ATOM 193 OD2 ASP A 14 -6.951 -3.405 13.879 1.00 2.84 O ATOM 0 H ASP A 14 -1.859 -2.447 12.499 1.00 0.84 H new ATOM 0 HA ASP A 14 -4.431 -1.120 12.146 1.00 0.98 H new ATOM 0 HB2 ASP A 14 -4.817 -3.662 12.279 1.00 1.39 H new ATOM 0 HB3 ASP A 14 -4.308 -3.533 13.951 1.00 1.39 H new ATOM 198 N CYS A 15 -2.781 0.190 13.708 1.00 0.67 N ATOM 199 CA CYS A 15 -2.433 1.161 14.756 1.00 0.69 C ATOM 200 C CYS A 15 -2.665 2.604 14.296 1.00 0.92 C ATOM 201 O CYS A 15 -3.750 3.147 14.474 1.00 2.31 O ATOM 202 CB CYS A 15 -0.999 0.969 15.287 1.00 0.68 C ATOM 203 SG CYS A 15 -0.931 -0.300 16.574 1.00 1.59 S ATOM 0 H CYS A 15 -2.524 0.490 12.768 1.00 0.67 H new ATOM 0 HA CYS A 15 -3.109 0.966 15.589 1.00 0.69 H new ATOM 0 HB2 CYS A 15 -0.340 0.690 14.465 1.00 0.68 H new ATOM 0 HB3 CYS A 15 -0.629 1.913 15.686 1.00 0.68 H new ATOM 0 HG CYS A 15 -1.908 -1.141 16.406 1.00 1.59 H new ATOM 209 N ALA A 16 -1.638 3.250 13.728 1.00 0.77 N ATOM 210 CA ALA A 16 -1.688 4.653 13.307 1.00 0.76 C ATOM 211 C ALA A 16 -0.425 4.980 12.514 1.00 1.05 C ATOM 212 O ALA A 16 -0.466 5.208 11.303 1.00 2.20 O ATOM 213 CB ALA A 16 -1.832 5.581 14.520 1.00 1.05 C ATOM 0 H ALA A 16 -0.738 2.805 13.546 1.00 0.77 H new ATOM 0 HA ALA A 16 -2.560 4.810 12.672 1.00 0.76 H new ATOM 0 HB1 ALA A 16 -1.867 6.617 14.183 1.00 1.05 H new ATOM 0 HB2 ALA A 16 -2.752 5.342 15.054 1.00 1.05 H new ATOM 0 HB3 ALA A 16 -0.980 5.444 15.186 1.00 1.05 H new ATOM 219 N ALA A 17 0.721 4.961 13.197 1.00 0.62 N ATOM 220 CA ALA A 17 2.019 5.173 12.569 1.00 0.66 C ATOM 221 C ALA A 17 2.233 4.193 11.415 1.00 0.53 C ATOM 222 O ALA A 17 2.855 4.543 10.416 1.00 0.61 O ATOM 223 CB ALA A 17 3.126 5.028 13.614 1.00 0.96 C ATOM 0 H ALA A 17 0.771 4.798 14.203 1.00 0.62 H new ATOM 0 HA ALA A 17 2.050 6.182 12.157 1.00 0.66 H new ATOM 0 HB1 ALA A 17 4.095 5.187 13.142 1.00 0.96 H new ATOM 0 HB2 ALA A 17 2.981 5.767 14.402 1.00 0.96 H new ATOM 0 HB3 ALA A 17 3.092 4.027 14.044 1.00 0.96 H new ATOM 229 N CYS A 18 1.701 2.974 11.534 1.00 0.43 N ATOM 230 CA CYS A 18 1.840 1.944 10.528 1.00 0.42 C ATOM 231 C CYS A 18 1.039 2.345 9.298 1.00 0.37 C ATOM 232 O CYS A 18 1.536 2.212 8.182 1.00 0.37 O ATOM 233 CB CYS A 18 1.439 0.575 11.087 1.00 0.51 C ATOM 234 SG CYS A 18 -0.278 0.575 11.639 1.00 2.96 S ATOM 0 H CYS A 18 1.157 2.681 12.346 1.00 0.43 H new ATOM 0 HA CYS A 18 2.884 1.847 10.230 1.00 0.42 H new ATOM 0 HB2 CYS A 18 1.578 -0.188 10.321 1.00 0.51 H new ATOM 0 HB3 CYS A 18 2.092 0.314 11.920 1.00 0.51 H new ATOM 0 HG CYS A 18 -0.584 -0.600 12.104 1.00 2.96 H new ATOM 240 N ALA A 19 -0.159 2.914 9.484 1.00 0.40 N ATOM 241 CA ALA A 19 -0.938 3.387 8.356 1.00 0.45 C ATOM 242 C ALA A 19 -0.174 4.471 7.608 1.00 0.43 C ATOM 243 O ALA A 19 -0.132 4.472 6.379 1.00 0.49 O ATOM 244 CB ALA A 19 -2.329 3.876 8.758 1.00 0.61 C ATOM 0 H ALA A 19 -0.596 3.052 10.395 1.00 0.40 H new ATOM 0 HA ALA A 19 -1.093 2.536 7.693 1.00 0.45 H new ATOM 0 HB1 ALA A 19 -2.865 4.217 7.872 1.00 0.61 H new ATOM 0 HB2 ALA A 19 -2.881 3.060 9.224 1.00 0.61 H new ATOM 0 HB3 ALA A 19 -2.235 4.700 9.465 1.00 0.61 H new ATOM 250 N ARG A 20 0.478 5.381 8.337 1.00 0.40 N ATOM 251 CA ARG A 20 1.343 6.309 7.660 1.00 0.42 C ATOM 252 C ARG A 20 2.468 5.576 6.944 1.00 0.37 C ATOM 253 O ARG A 20 2.666 5.779 5.755 1.00 0.39 O ATOM 254 CB ARG A 20 1.853 7.426 8.549 1.00 0.47 C ATOM 255 CG ARG A 20 0.676 8.267 9.046 1.00 0.59 C ATOM 256 CD ARG A 20 1.193 9.540 9.719 1.00 1.33 C ATOM 257 NE ARG A 20 0.084 10.472 9.991 1.00 1.82 N ATOM 258 CZ ARG A 20 -0.845 10.322 10.949 1.00 1.89 C ATOM 259 NH1 ARG A 20 -0.752 9.307 11.813 1.00 2.59 N ATOM 260 NH2 ARG A 20 -1.865 11.184 11.034 1.00 2.59 N ATOM 0 H ARG A 20 0.420 5.483 9.350 1.00 0.40 H new ATOM 0 HA ARG A 20 0.734 6.810 6.907 1.00 0.42 H new ATOM 0 HB2 ARG A 20 2.398 7.010 9.396 1.00 0.47 H new ATOM 0 HB3 ARG A 20 2.553 8.053 7.996 1.00 0.47 H new ATOM 0 HG2 ARG A 20 0.024 8.525 8.211 1.00 0.59 H new ATOM 0 HG3 ARG A 20 0.077 7.690 9.751 1.00 0.59 H new ATOM 0 HD2 ARG A 20 1.698 9.285 10.651 1.00 1.33 H new ATOM 0 HD3 ARG A 20 1.931 10.022 9.078 1.00 1.33 H new ATOM 0 HE ARG A 20 0.016 11.302 9.401 1.00 1.82 H new ATOM 0 HH11 ARG A 20 0.024 8.648 11.744 1.00 2.59 H new ATOM 0 HH12 ARG A 20 -1.457 9.191 12.541 1.00 2.59 H new ATOM 0 HH21 ARG A 20 -1.937 11.956 10.371 1.00 2.59 H new ATOM 0 HH22 ARG A 20 -2.570 11.069 11.762 1.00 2.59 H new ATOM 274 N LYS A 21 3.223 4.725 7.629 1.00 0.32 N ATOM 275 CA LYS A 21 4.312 4.010 6.991 1.00 0.30 C ATOM 276 C LYS A 21 3.870 3.355 5.678 1.00 0.26 C ATOM 277 O LYS A 21 4.601 3.438 4.696 1.00 0.29 O ATOM 278 CB LYS A 21 4.902 3.020 7.989 1.00 0.34 C ATOM 279 CG LYS A 21 5.718 3.713 9.096 1.00 0.92 C ATOM 280 CD LYS A 21 7.031 4.368 8.630 1.00 1.47 C ATOM 281 CE LYS A 21 8.076 3.316 8.220 1.00 2.42 C ATOM 282 NZ LYS A 21 9.286 3.923 7.630 1.00 3.88 N ATOM 0 H LYS A 21 3.099 4.517 8.620 1.00 0.32 H new ATOM 0 HA LYS A 21 5.096 4.712 6.705 1.00 0.30 H new ATOM 0 HB2 LYS A 21 4.096 2.443 8.443 1.00 0.34 H new ATOM 0 HB3 LYS A 21 5.541 2.313 7.460 1.00 0.34 H new ATOM 0 HG2 LYS A 21 5.095 4.477 9.561 1.00 0.92 H new ATOM 0 HG3 LYS A 21 5.951 2.979 9.867 1.00 0.92 H new ATOM 0 HD2 LYS A 21 6.829 5.029 7.787 1.00 1.47 H new ATOM 0 HD3 LYS A 21 7.433 4.988 9.431 1.00 1.47 H new ATOM 0 HE2 LYS A 21 8.357 2.728 9.094 1.00 2.42 H new ATOM 0 HE3 LYS A 21 7.631 2.627 7.502 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 9.959 3.174 7.370 1.00 3.88 H new ATOM 0 HZ2 LYS A 21 9.025 4.463 6.781 1.00 3.88 H new ATOM 0 HZ3 LYS A 21 9.728 4.560 8.323 1.00 3.88 H new ATOM 296 N VAL A 22 2.663 2.790 5.621 1.00 0.28 N ATOM 297 CA VAL A 22 2.095 2.329 4.370 1.00 0.34 C ATOM 298 C VAL A 22 1.971 3.447 3.337 1.00 0.33 C ATOM 299 O VAL A 22 2.548 3.342 2.258 1.00 0.38 O ATOM 300 CB VAL A 22 0.702 1.771 4.643 1.00 0.40 C ATOM 301 CG1 VAL A 22 -0.069 1.490 3.365 1.00 0.49 C ATOM 302 CG2 VAL A 22 0.751 0.471 5.455 1.00 0.43 C ATOM 0 H VAL A 22 2.064 2.644 6.434 1.00 0.28 H new ATOM 0 HA VAL A 22 2.764 1.570 3.964 1.00 0.34 H new ATOM 0 HB VAL A 22 0.193 2.547 5.214 1.00 0.40 H new ATOM 0 HG11 VAL A 22 -1.054 1.094 3.614 1.00 0.49 H new ATOM 0 HG12 VAL A 22 -0.182 2.414 2.798 1.00 0.49 H new ATOM 0 HG13 VAL A 22 0.474 0.760 2.765 1.00 0.49 H new ATOM 0 HG21 VAL A 22 -0.263 0.110 5.626 1.00 0.43 H new ATOM 0 HG22 VAL A 22 1.316 -0.281 4.904 1.00 0.43 H new ATOM 0 HG23 VAL A 22 1.235 0.659 6.413 1.00 0.43 H new ATOM 312 N GLU A 23 1.166 4.481 3.606 1.00 0.34 N ATOM 313 CA GLU A 23 0.860 5.456 2.565 1.00 0.37 C ATOM 314 C GLU A 23 2.187 6.062 2.102 1.00 0.35 C ATOM 315 O GLU A 23 2.452 6.228 0.923 1.00 0.36 O ATOM 316 CB GLU A 23 -0.148 6.530 3.021 1.00 0.42 C ATOM 317 CG GLU A 23 0.446 7.425 4.109 1.00 0.46 C ATOM 318 CD GLU A 23 -0.452 8.559 4.578 1.00 0.58 C ATOM 319 OE1 GLU A 23 -1.541 8.249 5.102 1.00 1.64 O ATOM 320 OE2 GLU A 23 0.005 9.717 4.442 1.00 1.77 O ATOM 0 H GLU A 23 0.728 4.658 4.510 1.00 0.34 H new ATOM 0 HA GLU A 23 0.362 4.957 1.733 1.00 0.37 H new ATOM 0 HB2 GLU A 23 -0.444 7.140 2.167 1.00 0.42 H new ATOM 0 HB3 GLU A 23 -1.051 6.048 3.397 1.00 0.42 H new ATOM 0 HG2 GLU A 23 0.699 6.805 4.969 1.00 0.46 H new ATOM 0 HG3 GLU A 23 1.378 7.851 3.738 1.00 0.46 H new ATOM 327 N ASN A 24 3.071 6.338 3.053 1.00 0.33 N ATOM 328 CA ASN A 24 4.378 6.908 2.813 1.00 0.33 C ATOM 329 C ASN A 24 5.264 5.935 2.036 1.00 0.29 C ATOM 330 O ASN A 24 6.068 6.376 1.215 1.00 0.31 O ATOM 331 CB ASN A 24 4.985 7.320 4.148 1.00 0.36 C ATOM 332 CG ASN A 24 4.315 8.574 4.717 1.00 0.44 C ATOM 333 OD1 ASN A 24 4.753 9.695 4.472 1.00 0.61 O ATOM 334 ND2 ASN A 24 3.209 8.415 5.433 1.00 0.41 N ATOM 0 H ASN A 24 2.886 6.164 4.041 1.00 0.33 H new ATOM 0 HA ASN A 24 4.291 7.797 2.189 1.00 0.33 H new ATOM 0 HB2 ASN A 24 4.886 6.501 4.860 1.00 0.36 H new ATOM 0 HB3 ASN A 24 6.052 7.504 4.020 1.00 0.36 H new ATOM 0 HD21 ASN A 24 2.710 9.230 5.788 1.00 0.41 H new ATOM 0 HD22 ASN A 24 2.858 7.477 5.628 1.00 0.41 H new ATOM 341 N ALA A 25 5.106 4.621 2.246 1.00 0.32 N ATOM 342 CA ALA A 25 5.718 3.602 1.402 1.00 0.34 C ATOM 343 C ALA A 25 5.323 3.766 -0.066 1.00 0.29 C ATOM 344 O ALA A 25 6.052 3.279 -0.925 1.00 0.30 O ATOM 345 CB ALA A 25 5.429 2.182 1.907 1.00 0.47 C ATOM 0 H ALA A 25 4.547 4.240 3.010 1.00 0.32 H new ATOM 0 HA ALA A 25 6.796 3.750 1.467 1.00 0.34 H new ATOM 0 HB1 ALA A 25 5.905 1.457 1.247 1.00 0.47 H new ATOM 0 HB2 ALA A 25 5.824 2.067 2.916 1.00 0.47 H new ATOM 0 HB3 ALA A 25 4.352 2.011 1.917 1.00 0.47 H new ATOM 351 N VAL A 26 4.209 4.451 -0.367 1.00 0.33 N ATOM 352 CA VAL A 26 3.783 4.715 -1.732 1.00 0.39 C ATOM 353 C VAL A 26 4.054 6.151 -2.175 1.00 0.34 C ATOM 354 O VAL A 26 4.527 6.391 -3.281 1.00 0.39 O ATOM 355 CB VAL A 26 2.332 4.275 -1.925 1.00 0.57 C ATOM 356 CG1 VAL A 26 2.164 2.875 -1.338 1.00 1.65 C ATOM 357 CG2 VAL A 26 1.184 5.162 -1.440 1.00 1.93 C ATOM 0 H VAL A 26 3.582 4.835 0.340 1.00 0.33 H new ATOM 0 HA VAL A 26 4.396 4.112 -2.401 1.00 0.39 H new ATOM 0 HB VAL A 26 2.216 4.339 -3.007 1.00 0.57 H new ATOM 0 HG11 VAL A 26 1.133 2.547 -1.468 1.00 1.65 H new ATOM 0 HG12 VAL A 26 2.832 2.183 -1.850 1.00 1.65 H new ATOM 0 HG13 VAL A 26 2.407 2.894 -0.276 1.00 1.65 H new ATOM 0 HG21 VAL A 26 0.232 4.681 -1.666 1.00 1.93 H new ATOM 0 HG22 VAL A 26 1.269 5.311 -0.364 1.00 1.93 H new ATOM 0 HG23 VAL A 26 1.232 6.127 -1.945 1.00 1.93 H new ATOM 367 N ARG A 27 3.793 7.127 -1.309 1.00 0.30 N ATOM 368 CA ARG A 27 3.987 8.539 -1.626 1.00 0.29 C ATOM 369 C ARG A 27 5.452 8.829 -1.955 1.00 0.25 C ATOM 370 O ARG A 27 5.751 9.781 -2.671 1.00 0.38 O ATOM 371 CB ARG A 27 3.516 9.433 -0.474 1.00 0.34 C ATOM 372 CG ARG A 27 1.995 9.350 -0.263 1.00 0.57 C ATOM 373 CD ARG A 27 1.465 10.449 0.667 1.00 0.88 C ATOM 374 NE ARG A 27 2.112 10.433 1.991 1.00 1.02 N ATOM 375 CZ ARG A 27 1.934 11.385 2.923 1.00 1.53 C ATOM 376 NH1 ARG A 27 1.004 12.328 2.736 1.00 2.06 N ATOM 377 NH2 ARG A 27 2.710 11.428 4.010 1.00 2.63 N ATOM 0 H ARG A 27 3.441 6.961 -0.366 1.00 0.30 H new ATOM 0 HA ARG A 27 3.383 8.765 -2.505 1.00 0.29 H new ATOM 0 HB2 ARG A 27 4.026 9.140 0.444 1.00 0.34 H new ATOM 0 HB3 ARG A 27 3.797 10.466 -0.679 1.00 0.34 H new ATOM 0 HG2 ARG A 27 1.494 9.424 -1.228 1.00 0.57 H new ATOM 0 HG3 ARG A 27 1.743 8.375 0.153 1.00 0.57 H new ATOM 0 HD2 ARG A 27 1.624 11.422 0.201 1.00 0.88 H new ATOM 0 HD3 ARG A 27 0.389 10.327 0.791 1.00 0.88 H new ATOM 0 HE ARG A 27 2.731 9.654 2.213 1.00 1.02 H new ATOM 0 HH11 ARG A 27 0.435 12.322 1.890 1.00 2.06 H new ATOM 0 HH12 ARG A 27 0.864 13.053 3.440 1.00 2.06 H new ATOM 0 HH21 ARG A 27 3.446 10.734 4.139 1.00 2.63 H new ATOM 0 HH22 ARG A 27 2.566 12.155 4.711 1.00 2.63 H new ATOM 391 N GLN A 28 6.365 8.004 -1.440 1.00 0.22 N ATOM 392 CA GLN A 28 7.788 8.118 -1.710 1.00 0.26 C ATOM 393 C GLN A 28 8.146 7.759 -3.157 1.00 0.29 C ATOM 394 O GLN A 28 9.286 7.979 -3.553 1.00 0.36 O ATOM 395 CB GLN A 28 8.584 7.310 -0.687 1.00 0.30 C ATOM 396 CG GLN A 28 8.395 5.796 -0.844 1.00 0.29 C ATOM 397 CD GLN A 28 9.091 5.056 0.291 1.00 0.36 C ATOM 398 OE1 GLN A 28 10.012 4.276 0.079 1.00 0.50 O ATOM 399 NE2 GLN A 28 8.665 5.322 1.520 1.00 0.50 N ATOM 0 H GLN A 28 6.128 7.231 -0.818 1.00 0.22 H new ATOM 0 HA GLN A 28 8.068 9.166 -1.600 1.00 0.26 H new ATOM 0 HB2 GLN A 28 9.642 7.551 -0.785 1.00 0.30 H new ATOM 0 HB3 GLN A 28 8.282 7.607 0.317 1.00 0.30 H new ATOM 0 HG2 GLN A 28 7.332 5.554 -0.847 1.00 0.29 H new ATOM 0 HG3 GLN A 28 8.799 5.470 -1.802 1.00 0.29 H new ATOM 0 HE21 GLN A 28 7.896 5.976 1.663 1.00 0.50 H new ATOM 0 HE22 GLN A 28 9.107 4.872 2.322 1.00 0.50 H new ATOM 408 N LEU A 29 7.228 7.124 -3.900 1.00 0.28 N ATOM 409 CA LEU A 29 7.419 6.758 -5.292 1.00 0.33 C ATOM 410 C LEU A 29 7.485 8.030 -6.152 1.00 0.37 C ATOM 411 O LEU A 29 8.436 8.801 -6.065 1.00 0.47 O ATOM 412 CB LEU A 29 6.316 5.768 -5.714 1.00 0.33 C ATOM 413 CG LEU A 29 6.214 4.428 -4.940 1.00 0.33 C ATOM 414 CD1 LEU A 29 6.468 3.259 -5.882 1.00 0.70 C ATOM 415 CD2 LEU A 29 7.140 4.195 -3.742 1.00 0.56 C ATOM 0 H LEU A 29 6.317 6.849 -3.533 1.00 0.28 H new ATOM 0 HA LEU A 29 8.368 6.242 -5.440 1.00 0.33 H new ATOM 0 HB2 LEU A 29 5.357 6.278 -5.628 1.00 0.33 H new ATOM 0 HB3 LEU A 29 6.460 5.535 -6.769 1.00 0.33 H new ATOM 0 HG LEU A 29 5.204 4.495 -4.535 1.00 0.33 H new ATOM 0 HD11 LEU A 29 6.394 2.323 -5.328 1.00 0.70 H new ATOM 0 HD12 LEU A 29 5.726 3.268 -6.681 1.00 0.70 H new ATOM 0 HD13 LEU A 29 7.466 3.348 -6.312 1.00 0.70 H new ATOM 0 HD21 LEU A 29 6.941 3.212 -3.314 1.00 0.56 H new ATOM 0 HD22 LEU A 29 8.178 4.245 -4.070 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.960 4.962 -2.989 1.00 0.56 H new ATOM 427 N ALA A 30 6.485 8.248 -7.005 1.00 0.37 N ATOM 428 CA ALA A 30 6.393 9.385 -7.913 1.00 0.39 C ATOM 429 C ALA A 30 5.079 9.290 -8.682 1.00 0.40 C ATOM 430 O ALA A 30 4.345 10.264 -8.803 1.00 0.41 O ATOM 431 CB ALA A 30 7.568 9.387 -8.901 1.00 0.43 C ATOM 0 H ALA A 30 5.690 7.614 -7.084 1.00 0.37 H new ATOM 0 HA ALA A 30 6.429 10.309 -7.336 1.00 0.39 H new ATOM 0 HB1 ALA A 30 7.480 10.244 -9.569 1.00 0.43 H new ATOM 0 HB2 ALA A 30 8.506 9.451 -8.350 1.00 0.43 H new ATOM 0 HB3 ALA A 30 7.553 8.467 -9.486 1.00 0.43 H new ATOM 437 N GLY A 31 4.804 8.096 -9.216 1.00 0.40 N ATOM 438 CA GLY A 31 3.666 7.872 -10.106 1.00 0.43 C ATOM 439 C GLY A 31 2.340 7.688 -9.363 1.00 0.37 C ATOM 440 O GLY A 31 1.270 7.836 -9.948 1.00 0.49 O ATOM 0 H GLY A 31 5.364 7.261 -9.043 1.00 0.40 H new ATOM 0 HA2 GLY A 31 3.577 8.717 -10.789 1.00 0.43 H new ATOM 0 HA3 GLY A 31 3.859 6.988 -10.715 1.00 0.43 H new ATOM 444 N VAL A 32 2.405 7.335 -8.077 1.00 0.26 N ATOM 445 CA VAL A 32 1.239 7.247 -7.206 1.00 0.25 C ATOM 446 C VAL A 32 0.544 8.609 -7.154 1.00 0.29 C ATOM 447 O VAL A 32 1.223 9.616 -6.973 1.00 0.41 O ATOM 448 CB VAL A 32 1.711 6.799 -5.814 1.00 0.31 C ATOM 449 CG1 VAL A 32 0.569 6.850 -4.794 1.00 0.46 C ATOM 450 CG2 VAL A 32 2.270 5.372 -5.888 1.00 0.33 C ATOM 0 H VAL A 32 3.281 7.100 -7.609 1.00 0.26 H new ATOM 0 HA VAL A 32 0.520 6.520 -7.584 1.00 0.25 H new ATOM 0 HB VAL A 32 2.492 7.486 -5.487 1.00 0.31 H new ATOM 0 HG11 VAL A 32 0.936 6.527 -3.820 1.00 0.46 H new ATOM 0 HG12 VAL A 32 0.193 7.870 -4.720 1.00 0.46 H new ATOM 0 HG13 VAL A 32 -0.236 6.189 -5.116 1.00 0.46 H new ATOM 0 HG21 VAL A 32 2.603 5.060 -4.898 1.00 0.33 H new ATOM 0 HG22 VAL A 32 1.492 4.694 -6.240 1.00 0.33 H new ATOM 0 HG23 VAL A 32 3.113 5.347 -6.579 1.00 0.33 H new ATOM 460 N ASN A 33 -0.791 8.652 -7.285 1.00 0.29 N ATOM 461 CA ASN A 33 -1.523 9.907 -7.228 1.00 0.38 C ATOM 462 C ASN A 33 -2.177 9.992 -5.861 1.00 0.43 C ATOM 463 O ASN A 33 -1.995 10.954 -5.120 1.00 0.81 O ATOM 464 CB ASN A 33 -2.640 9.981 -8.279 1.00 0.65 C ATOM 465 CG ASN A 33 -2.294 9.513 -9.679 1.00 0.88 C ATOM 466 OD1 ASN A 33 -1.624 10.208 -10.435 1.00 2.16 O ATOM 467 ND2 ASN A 33 -2.851 8.365 -10.039 1.00 0.80 N ATOM 0 H ASN A 33 -1.376 7.829 -7.430 1.00 0.29 H new ATOM 0 HA ASN A 33 -0.822 10.720 -7.418 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -3.482 9.389 -7.921 1.00 0.65 H new ATOM 0 HB3 ASN A 33 -2.980 11.015 -8.341 1.00 0.65 H new ATOM 0 HD21 ASN A 33 -2.732 8.017 -10.990 1.00 0.80 H new ATOM 0 HD22 ASN A 33 -3.398 7.830 -9.365 1.00 0.80 H new ATOM 474 N GLN A 34 -2.996 8.979 -5.572 1.00 0.34 N ATOM 475 CA GLN A 34 -3.848 8.896 -4.408 1.00 0.43 C ATOM 476 C GLN A 34 -3.646 7.505 -3.814 1.00 0.51 C ATOM 477 O GLN A 34 -3.116 6.600 -4.460 1.00 1.10 O ATOM 478 CB GLN A 34 -5.310 9.130 -4.826 1.00 0.55 C ATOM 479 CG GLN A 34 -5.586 10.556 -5.323 1.00 1.35 C ATOM 480 CD GLN A 34 -6.693 10.600 -6.374 1.00 0.89 C ATOM 481 OE1 GLN A 34 -7.733 11.216 -6.168 1.00 1.23 O ATOM 482 NE2 GLN A 34 -6.478 9.959 -7.521 1.00 0.77 N ATOM 0 H GLN A 34 -3.079 8.162 -6.177 1.00 0.34 H new ATOM 0 HA GLN A 34 -3.601 9.654 -3.665 1.00 0.43 H new ATOM 0 HB2 GLN A 34 -5.572 8.423 -5.613 1.00 0.55 H new ATOM 0 HB3 GLN A 34 -5.960 8.918 -3.977 1.00 0.55 H new ATOM 0 HG2 GLN A 34 -5.865 11.185 -4.478 1.00 1.35 H new ATOM 0 HG3 GLN A 34 -4.672 10.975 -5.744 1.00 1.35 H new ATOM 0 HE21 GLN A 34 -5.604 9.454 -7.667 1.00 0.77 H new ATOM 0 HE22 GLN A 34 -7.187 9.973 -8.254 1.00 0.77 H new ATOM 491 N VAL A 35 -4.032 7.356 -2.556 1.00 0.28 N ATOM 492 CA VAL A 35 -3.949 6.117 -1.811 1.00 0.29 C ATOM 493 C VAL A 35 -4.974 6.187 -0.682 1.00 0.28 C ATOM 494 O VAL A 35 -5.162 7.254 -0.101 1.00 0.40 O ATOM 495 CB VAL A 35 -2.501 5.895 -1.324 1.00 0.45 C ATOM 496 CG1 VAL A 35 -1.845 7.169 -0.770 1.00 1.16 C ATOM 497 CG2 VAL A 35 -2.412 4.802 -0.254 1.00 1.45 C ATOM 0 H VAL A 35 -4.425 8.123 -2.010 1.00 0.28 H new ATOM 0 HA VAL A 35 -4.188 5.251 -2.429 1.00 0.29 H new ATOM 0 HB VAL A 35 -1.958 5.583 -2.216 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -0.829 6.944 -0.445 1.00 1.16 H new ATOM 0 HG12 VAL A 35 -1.816 7.931 -1.548 1.00 1.16 H new ATOM 0 HG13 VAL A 35 -2.423 7.537 0.077 1.00 1.16 H new ATOM 0 HG21 VAL A 35 -1.374 4.682 0.058 1.00 1.45 H new ATOM 0 HG22 VAL A 35 -3.019 5.085 0.606 1.00 1.45 H new ATOM 0 HG23 VAL A 35 -2.779 3.861 -0.664 1.00 1.45 H new ATOM 507 N GLN A 36 -5.642 5.070 -0.383 1.00 0.34 N ATOM 508 CA GLN A 36 -6.590 4.944 0.699 1.00 0.47 C ATOM 509 C GLN A 36 -6.306 3.619 1.418 1.00 0.37 C ATOM 510 O GLN A 36 -6.618 2.528 0.938 1.00 0.47 O ATOM 511 CB GLN A 36 -8.011 5.098 0.144 1.00 0.88 C ATOM 512 CG GLN A 36 -8.347 4.036 -0.905 1.00 1.19 C ATOM 513 CD GLN A 36 -9.301 4.554 -1.979 1.00 1.13 C ATOM 514 OE1 GLN A 36 -10.514 4.459 -1.813 1.00 1.71 O ATOM 515 NE2 GLN A 36 -8.793 5.087 -3.090 1.00 1.20 N ATOM 0 H GLN A 36 -5.526 4.206 -0.912 1.00 0.34 H new ATOM 0 HA GLN A 36 -6.491 5.731 1.447 1.00 0.47 H new ATOM 0 HB2 GLN A 36 -8.727 5.034 0.964 1.00 0.88 H new ATOM 0 HB3 GLN A 36 -8.120 6.088 -0.298 1.00 0.88 H new ATOM 0 HG2 GLN A 36 -7.426 3.692 -1.377 1.00 1.19 H new ATOM 0 HG3 GLN A 36 -8.794 3.173 -0.412 1.00 1.19 H new ATOM 0 HE21 GLN A 36 -7.782 5.156 -3.207 1.00 1.20 H new ATOM 0 HE22 GLN A 36 -9.415 5.426 -3.824 1.00 1.20 H new ATOM 524 N VAL A 37 -5.677 3.745 2.581 1.00 0.27 N ATOM 525 CA VAL A 37 -5.300 2.683 3.493 1.00 0.27 C ATOM 526 C VAL A 37 -6.427 2.604 4.520 1.00 0.30 C ATOM 527 O VAL A 37 -6.784 3.622 5.114 1.00 0.47 O ATOM 528 CB VAL A 37 -3.928 3.001 4.137 1.00 0.38 C ATOM 529 CG1 VAL A 37 -2.913 3.440 3.076 1.00 1.59 C ATOM 530 CG2 VAL A 37 -3.946 4.107 5.206 1.00 1.41 C ATOM 0 H VAL A 37 -5.399 4.661 2.932 1.00 0.27 H new ATOM 0 HA VAL A 37 -5.178 1.721 2.994 1.00 0.27 H new ATOM 0 HB VAL A 37 -3.652 2.064 4.621 1.00 0.38 H new ATOM 0 HG11 VAL A 37 -1.958 3.657 3.554 1.00 1.59 H new ATOM 0 HG12 VAL A 37 -2.780 2.641 2.347 1.00 1.59 H new ATOM 0 HG13 VAL A 37 -3.278 4.335 2.571 1.00 1.59 H new ATOM 0 HG21 VAL A 37 -2.938 4.254 5.595 1.00 1.41 H new ATOM 0 HG22 VAL A 37 -4.303 5.036 4.762 1.00 1.41 H new ATOM 0 HG23 VAL A 37 -4.610 3.816 6.020 1.00 1.41 H new ATOM 540 N LEU A 38 -7.052 1.436 4.673 1.00 0.33 N ATOM 541 CA LEU A 38 -8.198 1.270 5.547 1.00 0.34 C ATOM 542 C LEU A 38 -7.852 0.252 6.635 1.00 0.34 C ATOM 543 O LEU A 38 -7.609 -0.920 6.335 1.00 0.42 O ATOM 544 CB LEU A 38 -9.407 0.865 4.695 1.00 0.41 C ATOM 545 CG LEU A 38 -10.589 0.392 5.542 1.00 0.44 C ATOM 546 CD1 LEU A 38 -11.093 1.458 6.525 1.00 0.46 C ATOM 547 CD2 LEU A 38 -11.758 -0.047 4.655 1.00 0.58 C ATOM 0 H LEU A 38 -6.772 0.582 4.191 1.00 0.33 H new ATOM 0 HA LEU A 38 -8.457 2.198 6.056 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -9.718 1.713 4.085 1.00 0.41 H new ATOM 0 HB3 LEU A 38 -9.114 0.070 4.010 1.00 0.41 H new ATOM 0 HG LEU A 38 -10.214 -0.452 6.122 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -11.932 1.059 7.095 1.00 0.46 H new ATOM 0 HD12 LEU A 38 -10.289 1.733 7.207 1.00 0.46 H new ATOM 0 HD13 LEU A 38 -11.417 2.339 5.971 1.00 0.46 H new ATOM 0 HD21 LEU A 38 -12.586 -0.379 5.282 1.00 0.58 H new ATOM 0 HD22 LEU A 38 -12.083 0.792 4.039 1.00 0.58 H new ATOM 0 HD23 LEU A 38 -11.439 -0.867 4.012 1.00 0.58 H new ATOM 559 N PHE A 39 -7.856 0.719 7.887 1.00 0.71 N ATOM 560 CA PHE A 39 -7.737 -0.120 9.069 1.00 0.87 C ATOM 561 C PHE A 39 -8.922 -1.057 9.226 1.00 0.94 C ATOM 562 O PHE A 39 -9.957 -0.879 8.585 1.00 1.57 O ATOM 563 CB PHE A 39 -7.611 0.750 10.331 1.00 1.43 C ATOM 564 CG PHE A 39 -6.279 1.442 10.486 1.00 0.81 C ATOM 565 CD1 PHE A 39 -5.118 0.670 10.355 1.00 1.82 C ATOM 566 CD2 PHE A 39 -6.192 2.744 11.012 1.00 2.45 C ATOM 567 CE1 PHE A 39 -3.878 1.175 10.742 1.00 2.26 C ATOM 568 CE2 PHE A 39 -4.943 3.255 11.405 1.00 2.76 C ATOM 569 CZ PHE A 39 -3.789 2.464 11.279 1.00 2.01 C ATOM 0 H PHE A 39 -7.944 1.712 8.105 1.00 0.71 H new ATOM 0 HA PHE A 39 -6.839 -0.725 8.941 1.00 0.87 H new ATOM 0 HB2 PHE A 39 -8.398 1.504 10.317 1.00 1.43 H new ATOM 0 HB3 PHE A 39 -7.785 0.124 11.207 1.00 1.43 H new ATOM 0 HD1 PHE A 39 -5.184 -0.329 9.949 1.00 1.82 H new ATOM 0 HD2 PHE A 39 -7.081 3.348 11.113 1.00 2.45 H new ATOM 0 HE1 PHE A 39 -2.988 0.573 10.628 1.00 2.26 H new ATOM 0 HE2 PHE A 39 -4.871 4.256 11.804 1.00 2.76 H new ATOM 0 HZ PHE A 39 -2.832 2.851 11.597 1.00 2.01 H new ATOM 579 N ALA A 40 -8.746 -2.055 10.094 1.00 0.90 N ATOM 580 CA ALA A 40 -9.699 -3.108 10.408 1.00 0.97 C ATOM 581 C ALA A 40 -9.868 -4.087 9.242 1.00 0.81 C ATOM 582 O ALA A 40 -9.764 -5.289 9.440 1.00 1.02 O ATOM 583 CB ALA A 40 -11.035 -2.542 10.903 1.00 1.30 C ATOM 0 H ALA A 40 -7.881 -2.151 10.626 1.00 0.90 H new ATOM 0 HA ALA A 40 -9.285 -3.683 11.236 1.00 0.97 H new ATOM 0 HB1 ALA A 40 -11.717 -3.362 11.126 1.00 1.30 H new ATOM 0 HB2 ALA A 40 -10.869 -1.953 11.805 1.00 1.30 H new ATOM 0 HB3 ALA A 40 -11.470 -1.908 10.131 1.00 1.30 H new ATOM 589 N THR A 41 -10.090 -3.576 8.028 1.00 0.62 N ATOM 590 CA THR A 41 -10.219 -4.349 6.800 1.00 0.52 C ATOM 591 C THR A 41 -8.851 -4.659 6.166 1.00 0.42 C ATOM 592 O THR A 41 -8.812 -5.079 5.011 1.00 0.76 O ATOM 593 CB THR A 41 -11.110 -3.548 5.832 1.00 0.59 C ATOM 594 OG1 THR A 41 -12.079 -2.822 6.567 1.00 0.91 O ATOM 595 CG2 THR A 41 -11.837 -4.434 4.812 1.00 0.96 C ATOM 0 H THR A 41 -10.188 -2.573 7.873 1.00 0.62 H new ATOM 0 HA THR A 41 -10.672 -5.315 7.024 1.00 0.52 H new ATOM 0 HB THR A 41 -10.448 -2.880 5.281 1.00 0.59 H new ATOM 0 HG1 THR A 41 -12.739 -2.441 5.951 1.00 0.91 H new ATOM 0 HG21 THR A 41 -12.448 -3.811 4.159 1.00 0.96 H new ATOM 0 HG22 THR A 41 -11.105 -4.977 4.214 1.00 0.96 H new ATOM 0 HG23 THR A 41 -12.475 -5.145 5.337 1.00 0.96 H new ATOM 603 N GLU A 42 -7.747 -4.370 6.878 1.00 0.50 N ATOM 604 CA GLU A 42 -6.353 -4.541 6.465 1.00 0.56 C ATOM 605 C GLU A 42 -6.113 -4.337 4.960 1.00 0.55 C ATOM 606 O GLU A 42 -5.353 -5.080 4.329 1.00 0.69 O ATOM 607 CB GLU A 42 -5.799 -5.873 7.003 1.00 0.85 C ATOM 608 CG GLU A 42 -6.571 -7.121 6.540 1.00 2.37 C ATOM 609 CD GLU A 42 -7.710 -7.509 7.475 1.00 3.32 C ATOM 610 OE1 GLU A 42 -7.383 -7.841 8.635 1.00 3.50 O ATOM 611 OE2 GLU A 42 -8.867 -7.501 7.004 1.00 4.52 O ATOM 0 H GLU A 42 -7.816 -3.985 7.820 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.780 -3.733 6.921 1.00 0.56 H new ATOM 0 HB2 GLU A 42 -4.758 -5.970 6.694 1.00 0.85 H new ATOM 0 HB3 GLU A 42 -5.806 -5.841 8.093 1.00 0.85 H new ATOM 0 HG2 GLU A 42 -6.974 -6.941 5.543 1.00 2.37 H new ATOM 0 HG3 GLU A 42 -5.878 -7.958 6.457 1.00 2.37 H new ATOM 618 N LYS A 43 -6.748 -3.308 4.388 1.00 0.49 N ATOM 619 CA LYS A 43 -6.798 -3.117 2.949 1.00 0.52 C ATOM 620 C LYS A 43 -5.847 -1.997 2.555 1.00 0.49 C ATOM 621 O LYS A 43 -5.868 -0.907 3.136 1.00 0.69 O ATOM 622 CB LYS A 43 -8.249 -2.893 2.482 1.00 0.79 C ATOM 623 CG LYS A 43 -8.378 -2.264 1.083 1.00 1.15 C ATOM 624 CD LYS A 43 -8.526 -0.735 1.196 1.00 0.97 C ATOM 625 CE LYS A 43 -9.994 -0.331 1.369 1.00 0.49 C ATOM 626 NZ LYS A 43 -10.725 -0.287 0.088 1.00 1.31 N ATOM 0 H LYS A 43 -7.240 -2.588 4.917 1.00 0.49 H new ATOM 0 HA LYS A 43 -6.460 -4.017 2.435 1.00 0.52 H new ATOM 0 HB2 LYS A 43 -8.771 -3.850 2.486 1.00 0.79 H new ATOM 0 HB3 LYS A 43 -8.755 -2.251 3.203 1.00 0.79 H new ATOM 0 HG2 LYS A 43 -7.500 -2.508 0.485 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -9.242 -2.683 0.567 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -7.944 -0.372 2.043 1.00 0.97 H new ATOM 0 HD3 LYS A 43 -8.118 -0.261 0.303 1.00 0.97 H new ATOM 0 HE2 LYS A 43 -10.485 -1.037 2.039 1.00 0.49 H new ATOM 0 HE3 LYS A 43 -10.044 0.648 1.845 1.00 0.49 H new ATOM 0 HZ1 LYS A 43 -11.712 -0.009 0.261 1.00 1.31 H new ATOM 0 HZ2 LYS A 43 -10.276 0.406 -0.544 1.00 1.31 H new ATOM 0 HZ3 LYS A 43 -10.703 -1.227 -0.357 1.00 1.31 H new ATOM 640 N LEU A 44 -5.053 -2.278 1.521 1.00 0.33 N ATOM 641 CA LEU A 44 -4.238 -1.309 0.816 1.00 0.40 C ATOM 642 C LEU A 44 -4.948 -1.029 -0.478 1.00 0.36 C ATOM 643 O LEU A 44 -5.202 -1.974 -1.219 1.00 0.42 O ATOM 644 CB LEU A 44 -2.846 -1.920 0.547 1.00 0.48 C ATOM 645 CG LEU A 44 -1.670 -1.144 1.133 1.00 0.70 C ATOM 646 CD1 LEU A 44 -1.191 0.014 0.266 1.00 0.52 C ATOM 647 CD2 LEU A 44 -2.063 -0.652 2.510 1.00 1.59 C ATOM 0 H LEU A 44 -4.962 -3.222 1.144 1.00 0.33 H new ATOM 0 HA LEU A 44 -4.099 -0.392 1.389 1.00 0.40 H new ATOM 0 HB2 LEU A 44 -2.828 -2.933 0.949 1.00 0.48 H new ATOM 0 HB3 LEU A 44 -2.705 -2.002 -0.531 1.00 0.48 H new ATOM 0 HG LEU A 44 -0.822 -1.827 1.185 1.00 0.70 H new ATOM 0 HD11 LEU A 44 -0.354 0.512 0.755 1.00 0.52 H new ATOM 0 HD12 LEU A 44 -0.871 -0.366 -0.704 1.00 0.52 H new ATOM 0 HD13 LEU A 44 -2.005 0.725 0.127 1.00 0.52 H new ATOM 0 HD21 LEU A 44 -1.235 -0.094 2.947 1.00 1.59 H new ATOM 0 HD22 LEU A 44 -2.935 -0.003 2.429 1.00 1.59 H new ATOM 0 HD23 LEU A 44 -2.302 -1.504 3.146 1.00 1.59 H new ATOM 659 N VAL A 45 -5.279 0.236 -0.738 1.00 0.30 N ATOM 660 CA VAL A 45 -5.638 0.664 -2.068 1.00 0.27 C ATOM 661 C VAL A 45 -4.770 1.837 -2.465 1.00 0.27 C ATOM 662 O VAL A 45 -4.785 2.863 -1.796 1.00 0.48 O ATOM 663 CB VAL A 45 -7.134 0.958 -2.178 1.00 0.41 C ATOM 664 CG1 VAL A 45 -7.436 1.822 -3.401 1.00 0.63 C ATOM 665 CG2 VAL A 45 -7.813 -0.383 -2.405 1.00 0.71 C ATOM 0 H VAL A 45 -5.303 0.975 -0.036 1.00 0.30 H new ATOM 0 HA VAL A 45 -5.450 -0.144 -2.775 1.00 0.27 H new ATOM 0 HB VAL A 45 -7.475 1.477 -1.282 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.507 2.015 -3.454 1.00 0.63 H new ATOM 0 HG12 VAL A 45 -6.900 2.768 -3.320 1.00 0.63 H new ATOM 0 HG13 VAL A 45 -7.116 1.300 -4.303 1.00 0.63 H new ATOM 0 HG21 VAL A 45 -8.890 -0.236 -2.492 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -7.433 -0.833 -3.322 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.604 -1.044 -1.564 1.00 0.71 H new ATOM 675 N VAL A 46 -4.009 1.664 -3.540 1.00 0.35 N ATOM 676 CA VAL A 46 -3.175 2.695 -4.134 1.00 0.30 C ATOM 677 C VAL A 46 -3.671 2.998 -5.546 1.00 0.29 C ATOM 678 O VAL A 46 -3.895 2.081 -6.334 1.00 0.34 O ATOM 679 CB VAL A 46 -1.730 2.203 -4.101 1.00 0.41 C ATOM 680 CG1 VAL A 46 -0.796 3.148 -4.863 1.00 0.49 C ATOM 681 CG2 VAL A 46 -1.305 2.091 -2.631 1.00 0.43 C ATOM 0 H VAL A 46 -3.956 0.774 -4.035 1.00 0.35 H new ATOM 0 HA VAL A 46 -3.229 3.631 -3.579 1.00 0.30 H new ATOM 0 HB VAL A 46 -1.663 1.233 -4.593 1.00 0.41 H new ATOM 0 HG11 VAL A 46 0.224 2.766 -4.818 1.00 0.49 H new ATOM 0 HG12 VAL A 46 -1.114 3.213 -5.904 1.00 0.49 H new ATOM 0 HG13 VAL A 46 -0.832 4.139 -4.410 1.00 0.49 H new ATOM 0 HG21 VAL A 46 -0.274 1.741 -2.576 1.00 0.43 H new ATOM 0 HG22 VAL A 46 -1.382 3.068 -2.154 1.00 0.43 H new ATOM 0 HG23 VAL A 46 -1.956 1.384 -2.117 1.00 0.43 H new ATOM 691 N ASP A 47 -3.841 4.285 -5.853 1.00 0.34 N ATOM 692 CA ASP A 47 -4.437 4.787 -7.078 1.00 0.28 C ATOM 693 C ASP A 47 -3.359 5.575 -7.837 1.00 0.20 C ATOM 694 O ASP A 47 -3.065 6.734 -7.507 1.00 0.43 O ATOM 695 CB ASP A 47 -5.653 5.651 -6.718 1.00 0.48 C ATOM 696 CG ASP A 47 -6.725 4.926 -5.905 1.00 1.68 C ATOM 697 OD1 ASP A 47 -6.634 4.970 -4.655 1.00 3.14 O ATOM 698 OD2 ASP A 47 -7.647 4.364 -6.539 1.00 2.04 O ATOM 0 H ASP A 47 -3.552 5.033 -5.223 1.00 0.34 H new ATOM 0 HA ASP A 47 -4.790 3.982 -7.722 1.00 0.28 H new ATOM 0 HB2 ASP A 47 -5.312 6.519 -6.154 1.00 0.48 H new ATOM 0 HB3 ASP A 47 -6.103 6.025 -7.638 1.00 0.48 H new ATOM 703 N ALA A 48 -2.742 4.940 -8.841 1.00 0.28 N ATOM 704 CA ALA A 48 -1.628 5.504 -9.606 1.00 0.25 C ATOM 705 C ALA A 48 -1.965 5.530 -11.099 1.00 0.42 C ATOM 706 O ALA A 48 -3.001 5.006 -11.512 1.00 1.03 O ATOM 707 CB ALA A 48 -0.347 4.701 -9.364 1.00 0.42 C ATOM 0 H ALA A 48 -3.009 4.005 -9.148 1.00 0.28 H new ATOM 0 HA ALA A 48 -1.463 6.527 -9.268 1.00 0.25 H new ATOM 0 HB1 ALA A 48 0.469 5.136 -9.941 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -0.096 4.727 -8.304 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -0.501 3.668 -9.675 1.00 0.42 H new ATOM 713 N ASP A 49 -1.057 6.103 -11.897 1.00 0.42 N ATOM 714 CA ASP A 49 -1.236 6.308 -13.336 1.00 0.42 C ATOM 715 C ASP A 49 -0.045 5.716 -14.094 1.00 0.45 C ATOM 716 O ASP A 49 0.588 6.379 -14.915 1.00 0.62 O ATOM 717 CB ASP A 49 -1.363 7.822 -13.602 1.00 0.52 C ATOM 718 CG ASP A 49 -2.801 8.321 -13.534 1.00 0.72 C ATOM 719 OD1 ASP A 49 -3.495 7.924 -12.574 1.00 1.71 O ATOM 720 OD2 ASP A 49 -3.198 9.079 -14.446 1.00 1.76 O ATOM 0 H ASP A 49 -0.160 6.444 -11.552 1.00 0.42 H new ATOM 0 HA ASP A 49 -2.139 5.806 -13.684 1.00 0.42 H new ATOM 0 HB2 ASP A 49 -0.761 8.365 -12.873 1.00 0.52 H new ATOM 0 HB3 ASP A 49 -0.952 8.048 -14.586 1.00 0.52 H new ATOM 725 N ASN A 50 0.261 4.441 -13.842 1.00 0.43 N ATOM 726 CA ASN A 50 1.500 3.838 -14.322 1.00 0.55 C ATOM 727 C ASN A 50 1.614 2.347 -13.973 1.00 0.92 C ATOM 728 O ASN A 50 2.059 1.565 -14.808 1.00 2.86 O ATOM 729 CB ASN A 50 2.713 4.614 -13.780 1.00 0.55 C ATOM 730 CG ASN A 50 2.692 4.798 -12.262 1.00 0.68 C ATOM 731 OD1 ASN A 50 1.691 5.136 -11.644 1.00 2.61 O ATOM 732 ND2 ASN A 50 3.825 4.562 -11.636 1.00 1.34 N ATOM 0 H ASN A 50 -0.335 3.808 -13.308 1.00 0.43 H new ATOM 0 HA ASN A 50 1.484 3.902 -15.410 1.00 0.55 H new ATOM 0 HB2 ASN A 50 3.626 4.089 -14.062 1.00 0.55 H new ATOM 0 HB3 ASN A 50 2.750 5.594 -14.256 1.00 0.55 H new ATOM 0 HD21 ASN A 50 3.877 4.660 -10.622 1.00 1.34 H new ATOM 0 HD22 ASN A 50 4.651 4.281 -12.165 1.00 1.34 H new ATOM 739 N ASP A 51 1.228 1.974 -12.748 1.00 1.10 N ATOM 740 CA ASP A 51 1.379 0.664 -12.121 1.00 0.94 C ATOM 741 C ASP A 51 2.774 0.498 -11.550 1.00 0.56 C ATOM 742 O ASP A 51 3.776 0.633 -12.250 1.00 0.65 O ATOM 743 CB ASP A 51 0.945 -0.557 -12.940 1.00 1.31 C ATOM 744 CG ASP A 51 0.797 -1.769 -12.013 1.00 2.33 C ATOM 745 OD1 ASP A 51 1.777 -2.101 -11.307 1.00 3.13 O ATOM 746 OD2 ASP A 51 -0.324 -2.322 -11.963 1.00 3.36 O ATOM 0 H ASP A 51 0.766 2.635 -12.123 1.00 1.10 H new ATOM 0 HA ASP A 51 0.646 0.676 -11.314 1.00 0.94 H new ATOM 0 HB2 ASP A 51 -0.000 -0.353 -13.443 1.00 1.31 H new ATOM 0 HB3 ASP A 51 1.681 -0.767 -13.716 1.00 1.31 H new ATOM 751 N ILE A 52 2.800 0.251 -10.242 1.00 0.37 N ATOM 752 CA ILE A 52 3.988 0.134 -9.434 1.00 0.28 C ATOM 753 C ILE A 52 3.674 -0.849 -8.306 1.00 0.25 C ATOM 754 O ILE A 52 4.209 -0.724 -7.209 1.00 0.27 O ATOM 755 CB ILE A 52 4.419 1.542 -8.949 1.00 0.36 C ATOM 756 CG1 ILE A 52 3.268 2.535 -8.696 1.00 0.43 C ATOM 757 CG2 ILE A 52 5.329 2.170 -10.005 1.00 0.55 C ATOM 758 CD1 ILE A 52 2.431 2.220 -7.458 1.00 0.58 C ATOM 0 H ILE A 52 1.945 0.122 -9.701 1.00 0.37 H new ATOM 0 HA ILE A 52 4.840 -0.259 -9.989 1.00 0.28 H new ATOM 0 HB ILE A 52 4.910 1.374 -7.990 1.00 0.36 H new ATOM 0 HG12 ILE A 52 3.684 3.538 -8.594 1.00 0.43 H new ATOM 0 HG13 ILE A 52 2.615 2.547 -9.569 1.00 0.43 H new ATOM 0 HG21 ILE A 52 5.639 3.162 -9.675 1.00 0.55 H new ATOM 0 HG22 ILE A 52 6.209 1.543 -10.146 1.00 0.55 H new ATOM 0 HG23 ILE A 52 4.788 2.254 -10.948 1.00 0.55 H new ATOM 0 HD11 ILE A 52 1.643 2.966 -7.352 1.00 0.58 H new ATOM 0 HD12 ILE A 52 1.983 1.232 -7.563 1.00 0.58 H new ATOM 0 HD13 ILE A 52 3.068 2.237 -6.574 1.00 0.58 H new ATOM 770 N ARG A 53 2.807 -1.841 -8.550 1.00 0.25 N ATOM 771 CA ARG A 53 2.327 -2.693 -7.460 1.00 0.29 C ATOM 772 C ARG A 53 3.467 -3.453 -6.813 1.00 0.26 C ATOM 773 O ARG A 53 3.610 -3.435 -5.595 1.00 0.27 O ATOM 774 CB ARG A 53 1.265 -3.669 -7.937 1.00 0.35 C ATOM 775 CG ARG A 53 0.107 -2.856 -8.491 1.00 0.50 C ATOM 776 CD ARG A 53 -1.130 -3.718 -8.690 1.00 0.62 C ATOM 777 NE ARG A 53 -0.844 -5.081 -9.143 1.00 0.69 N ATOM 778 CZ ARG A 53 -1.070 -5.563 -10.369 1.00 1.58 C ATOM 779 NH1 ARG A 53 -1.187 -4.740 -11.419 1.00 2.61 N ATOM 780 NH2 ARG A 53 -1.191 -6.882 -10.530 1.00 2.00 N ATOM 0 H ARG A 53 2.432 -2.068 -9.471 1.00 0.25 H new ATOM 0 HA ARG A 53 1.879 -2.032 -6.718 1.00 0.29 H new ATOM 0 HB2 ARG A 53 1.670 -4.330 -8.703 1.00 0.35 H new ATOM 0 HB3 ARG A 53 0.930 -4.301 -7.115 1.00 0.35 H new ATOM 0 HG2 ARG A 53 -0.124 -2.037 -7.809 1.00 0.50 H new ATOM 0 HG3 ARG A 53 0.397 -2.408 -9.441 1.00 0.50 H new ATOM 0 HD2 ARG A 53 -1.680 -3.767 -7.750 1.00 0.62 H new ATOM 0 HD3 ARG A 53 -1.783 -3.235 -9.417 1.00 0.62 H new ATOM 0 HE ARG A 53 -0.435 -5.720 -8.461 1.00 0.69 H new ATOM 0 HH11 ARG A 53 -1.104 -3.732 -11.289 1.00 2.61 H new ATOM 0 HH12 ARG A 53 -1.359 -5.121 -12.349 1.00 2.61 H new ATOM 0 HH21 ARG A 53 -1.111 -7.503 -9.725 1.00 2.00 H new ATOM 0 HH22 ARG A 53 -1.364 -7.269 -11.458 1.00 2.00 H new ATOM 794 N ALA A 54 4.309 -4.068 -7.645 1.00 0.25 N ATOM 795 CA ALA A 54 5.537 -4.701 -7.198 1.00 0.25 C ATOM 796 C ALA A 54 6.402 -3.716 -6.409 1.00 0.23 C ATOM 797 O ALA A 54 7.119 -4.109 -5.491 1.00 0.24 O ATOM 798 CB ALA A 54 6.305 -5.213 -8.416 1.00 0.29 C ATOM 0 H ALA A 54 4.152 -4.138 -8.650 1.00 0.25 H new ATOM 0 HA ALA A 54 5.289 -5.533 -6.539 1.00 0.25 H new ATOM 0 HB1 ALA A 54 7.229 -5.690 -8.089 1.00 0.29 H new ATOM 0 HB2 ALA A 54 5.693 -5.937 -8.954 1.00 0.29 H new ATOM 0 HB3 ALA A 54 6.541 -4.377 -9.075 1.00 0.29 H new ATOM 804 N GLN A 55 6.355 -2.430 -6.772 1.00 0.22 N ATOM 805 CA GLN A 55 7.207 -1.427 -6.166 1.00 0.23 C ATOM 806 C GLN A 55 6.665 -1.082 -4.783 1.00 0.21 C ATOM 807 O GLN A 55 7.422 -1.025 -3.810 1.00 0.25 O ATOM 808 CB GLN A 55 7.329 -0.222 -7.115 1.00 0.30 C ATOM 809 CG GLN A 55 8.705 0.455 -7.070 1.00 0.39 C ATOM 810 CD GLN A 55 8.889 1.430 -8.234 1.00 1.09 C ATOM 811 OE1 GLN A 55 8.963 2.639 -8.048 1.00 2.63 O ATOM 812 NE2 GLN A 55 8.972 0.914 -9.458 1.00 0.92 N ATOM 0 H GLN A 55 5.727 -2.067 -7.489 1.00 0.22 H new ATOM 0 HA GLN A 55 8.221 -1.799 -6.016 1.00 0.23 H new ATOM 0 HB2 GLN A 55 7.128 -0.551 -8.135 1.00 0.30 H new ATOM 0 HB3 GLN A 55 6.564 0.511 -6.859 1.00 0.30 H new ATOM 0 HG2 GLN A 55 8.818 0.988 -6.126 1.00 0.39 H new ATOM 0 HG3 GLN A 55 9.486 -0.304 -7.103 1.00 0.39 H new ATOM 0 HE21 GLN A 55 8.908 -0.095 -9.591 1.00 0.92 H new ATOM 0 HE22 GLN A 55 9.100 1.528 -10.263 1.00 0.92 H new ATOM 821 N VAL A 56 5.345 -0.907 -4.683 1.00 0.20 N ATOM 822 CA VAL A 56 4.718 -0.618 -3.416 1.00 0.21 C ATOM 823 C VAL A 56 4.904 -1.837 -2.507 1.00 0.20 C ATOM 824 O VAL A 56 5.318 -1.699 -1.357 1.00 0.22 O ATOM 825 CB VAL A 56 3.239 -0.340 -3.666 1.00 0.23 C ATOM 826 CG1 VAL A 56 2.506 -0.305 -2.325 1.00 0.38 C ATOM 827 CG2 VAL A 56 3.094 0.996 -4.391 1.00 0.39 C ATOM 0 H VAL A 56 4.700 -0.963 -5.471 1.00 0.20 H new ATOM 0 HA VAL A 56 5.161 0.254 -2.935 1.00 0.21 H new ATOM 0 HB VAL A 56 2.806 -1.124 -4.287 1.00 0.23 H new ATOM 0 HG11 VAL A 56 1.448 -0.107 -2.494 1.00 0.38 H new ATOM 0 HG12 VAL A 56 2.620 -1.266 -1.823 1.00 0.38 H new ATOM 0 HG13 VAL A 56 2.927 0.483 -1.700 1.00 0.38 H new ATOM 0 HG21 VAL A 56 2.038 1.199 -4.572 1.00 0.39 H new ATOM 0 HG22 VAL A 56 3.516 1.791 -3.777 1.00 0.39 H new ATOM 0 HG23 VAL A 56 3.624 0.953 -5.343 1.00 0.39 H new ATOM 837 N GLU A 57 4.607 -3.032 -3.032 1.00 0.20 N ATOM 838 CA GLU A 57 4.896 -4.284 -2.351 1.00 0.21 C ATOM 839 C GLU A 57 6.313 -4.295 -1.811 1.00 0.22 C ATOM 840 O GLU A 57 6.468 -4.405 -0.605 1.00 0.26 O ATOM 841 CB GLU A 57 4.615 -5.489 -3.243 1.00 0.27 C ATOM 842 CG GLU A 57 5.207 -6.786 -2.672 1.00 0.36 C ATOM 843 CD GLU A 57 4.633 -8.038 -3.320 1.00 1.20 C ATOM 844 OE1 GLU A 57 4.194 -7.934 -4.485 1.00 2.30 O ATOM 845 OE2 GLU A 57 4.648 -9.077 -2.622 1.00 2.23 O ATOM 0 H GLU A 57 4.160 -3.150 -3.941 1.00 0.20 H new ATOM 0 HA GLU A 57 4.221 -4.362 -1.498 1.00 0.21 H new ATOM 0 HB2 GLU A 57 3.538 -5.606 -3.364 1.00 0.27 H new ATOM 0 HB3 GLU A 57 5.029 -5.309 -4.235 1.00 0.27 H new ATOM 0 HG2 GLU A 57 6.288 -6.776 -2.809 1.00 0.36 H new ATOM 0 HG3 GLU A 57 5.022 -6.822 -1.598 1.00 0.36 H new ATOM 852 N SER A 58 7.337 -4.165 -2.660 1.00 0.21 N ATOM 853 CA SER A 58 8.723 -4.213 -2.206 1.00 0.25 C ATOM 854 C SER A 58 8.917 -3.302 -0.985 1.00 0.27 C ATOM 855 O SER A 58 9.514 -3.704 0.014 1.00 0.33 O ATOM 856 CB SER A 58 9.669 -3.839 -3.354 1.00 0.28 C ATOM 857 OG SER A 58 11.001 -4.208 -3.049 1.00 0.56 O ATOM 0 H SER A 58 7.228 -4.026 -3.665 1.00 0.21 H new ATOM 0 HA SER A 58 8.965 -5.230 -1.897 1.00 0.25 H new ATOM 0 HB2 SER A 58 9.350 -4.336 -4.270 1.00 0.28 H new ATOM 0 HB3 SER A 58 9.617 -2.766 -3.539 1.00 0.28 H new ATOM 0 HG SER A 58 11.587 -3.962 -3.795 1.00 0.56 H new ATOM 863 N ALA A 59 8.379 -2.080 -1.059 1.00 0.27 N ATOM 864 CA ALA A 59 8.437 -1.133 0.040 1.00 0.29 C ATOM 865 C ALA A 59 7.745 -1.663 1.301 1.00 0.29 C ATOM 866 O ALA A 59 8.357 -1.678 2.363 1.00 0.41 O ATOM 867 CB ALA A 59 7.830 0.196 -0.400 1.00 0.31 C ATOM 0 H ALA A 59 7.894 -1.728 -1.884 1.00 0.27 H new ATOM 0 HA ALA A 59 9.484 -0.983 0.302 1.00 0.29 H new ATOM 0 HB1 ALA A 59 7.874 0.907 0.425 1.00 0.31 H new ATOM 0 HB2 ALA A 59 8.391 0.589 -1.248 1.00 0.31 H new ATOM 0 HB3 ALA A 59 6.791 0.043 -0.692 1.00 0.31 H new ATOM 873 N LEU A 60 6.476 -2.076 1.215 1.00 0.22 N ATOM 874 CA LEU A 60 5.704 -2.575 2.353 1.00 0.23 C ATOM 875 C LEU A 60 6.364 -3.808 2.969 1.00 0.23 C ATOM 876 O LEU A 60 6.505 -3.921 4.189 1.00 0.28 O ATOM 877 CB LEU A 60 4.279 -2.904 1.885 1.00 0.22 C ATOM 878 CG LEU A 60 3.434 -1.637 1.772 1.00 0.38 C ATOM 879 CD1 LEU A 60 2.368 -1.716 0.683 1.00 0.91 C ATOM 880 CD2 LEU A 60 2.730 -1.366 3.095 1.00 1.03 C ATOM 0 H LEU A 60 5.951 -2.072 0.340 1.00 0.22 H new ATOM 0 HA LEU A 60 5.668 -1.804 3.123 1.00 0.23 H new ATOM 0 HB2 LEU A 60 4.317 -3.408 0.919 1.00 0.22 H new ATOM 0 HB3 LEU A 60 3.812 -3.595 2.587 1.00 0.22 H new ATOM 0 HG LEU A 60 4.126 -0.836 1.511 1.00 0.38 H new ATOM 0 HD11 LEU A 60 1.804 -0.783 0.657 1.00 0.91 H new ATOM 0 HD12 LEU A 60 2.846 -1.878 -0.283 1.00 0.91 H new ATOM 0 HD13 LEU A 60 1.691 -2.543 0.896 1.00 0.91 H new ATOM 0 HD21 LEU A 60 2.129 -0.461 3.008 1.00 1.03 H new ATOM 0 HD22 LEU A 60 2.084 -2.208 3.343 1.00 1.03 H new ATOM 0 HD23 LEU A 60 3.473 -1.234 3.882 1.00 1.03 H new ATOM 892 N GLN A 61 6.785 -4.728 2.106 1.00 0.22 N ATOM 893 CA GLN A 61 7.487 -5.937 2.509 1.00 0.31 C ATOM 894 C GLN A 61 8.722 -5.545 3.311 1.00 0.39 C ATOM 895 O GLN A 61 8.906 -6.022 4.430 1.00 0.45 O ATOM 896 CB GLN A 61 7.827 -6.805 1.283 1.00 0.39 C ATOM 897 CG GLN A 61 7.454 -8.285 1.466 1.00 0.48 C ATOM 898 CD GLN A 61 7.075 -8.919 0.130 1.00 1.02 C ATOM 899 OE1 GLN A 61 7.931 -9.431 -0.585 1.00 2.32 O ATOM 900 NE2 GLN A 61 5.790 -8.870 -0.207 1.00 0.65 N ATOM 0 H GLN A 61 6.646 -4.652 1.098 1.00 0.22 H new ATOM 0 HA GLN A 61 6.848 -6.548 3.146 1.00 0.31 H new ATOM 0 HB2 GLN A 61 7.305 -6.411 0.411 1.00 0.39 H new ATOM 0 HB3 GLN A 61 8.895 -6.729 1.077 1.00 0.39 H new ATOM 0 HG2 GLN A 61 8.294 -8.825 1.904 1.00 0.48 H new ATOM 0 HG3 GLN A 61 6.621 -8.371 2.164 1.00 0.48 H new ATOM 0 HE21 GLN A 61 5.114 -8.434 0.420 1.00 0.65 H new ATOM 0 HE22 GLN A 61 5.480 -9.269 -1.093 1.00 0.65 H new ATOM 909 N LYS A 62 9.546 -4.643 2.769 1.00 0.41 N ATOM 910 CA LYS A 62 10.754 -4.228 3.455 1.00 0.55 C ATOM 911 C LYS A 62 10.433 -3.448 4.739 1.00 0.55 C ATOM 912 O LYS A 62 11.146 -3.571 5.733 1.00 0.64 O ATOM 913 CB LYS A 62 11.635 -3.413 2.503 1.00 0.68 C ATOM 914 CG LYS A 62 13.066 -3.289 3.046 1.00 1.59 C ATOM 915 CD LYS A 62 13.490 -1.820 3.115 1.00 1.90 C ATOM 916 CE LYS A 62 14.938 -1.725 3.616 1.00 3.19 C ATOM 917 NZ LYS A 62 15.356 -0.330 3.864 1.00 3.98 N ATOM 0 H LYS A 62 9.393 -4.195 1.865 1.00 0.41 H new ATOM 0 HA LYS A 62 11.305 -5.117 3.760 1.00 0.55 H new ATOM 0 HB2 LYS A 62 11.654 -3.889 1.523 1.00 0.68 H new ATOM 0 HB3 LYS A 62 11.207 -2.420 2.366 1.00 0.68 H new ATOM 0 HG2 LYS A 62 13.125 -3.737 4.038 1.00 1.59 H new ATOM 0 HG3 LYS A 62 13.753 -3.842 2.405 1.00 1.59 H new ATOM 0 HD2 LYS A 62 13.404 -1.360 2.131 1.00 1.90 H new ATOM 0 HD3 LYS A 62 12.827 -1.271 3.783 1.00 1.90 H new ATOM 0 HE2 LYS A 62 15.040 -2.301 4.535 1.00 3.19 H new ATOM 0 HE3 LYS A 62 15.605 -2.176 2.881 1.00 3.19 H new ATOM 0 HZ1 LYS A 62 16.340 -0.317 4.201 1.00 3.98 H new ATOM 0 HZ2 LYS A 62 15.285 0.216 2.982 1.00 3.98 H new ATOM 0 HZ3 LYS A 62 14.738 0.095 4.585 1.00 3.98 H new ATOM 931 N ALA A 63 9.384 -2.620 4.715 1.00 0.51 N ATOM 932 CA ALA A 63 8.922 -1.854 5.866 1.00 0.56 C ATOM 933 C ALA A 63 8.522 -2.792 7.003 1.00 0.54 C ATOM 934 O ALA A 63 8.766 -2.483 8.167 1.00 0.68 O ATOM 935 CB ALA A 63 7.755 -0.944 5.470 1.00 0.57 C ATOM 0 H ALA A 63 8.825 -2.464 3.877 1.00 0.51 H new ATOM 0 HA ALA A 63 9.739 -1.223 6.217 1.00 0.56 H new ATOM 0 HB1 ALA A 63 7.422 -0.379 6.341 1.00 0.57 H new ATOM 0 HB2 ALA A 63 8.080 -0.253 4.692 1.00 0.57 H new ATOM 0 HB3 ALA A 63 6.931 -1.551 5.095 1.00 0.57 H new ATOM 941 N GLY A 64 7.923 -3.933 6.652 1.00 0.43 N ATOM 942 CA GLY A 64 7.701 -5.048 7.557 1.00 0.45 C ATOM 943 C GLY A 64 6.234 -5.452 7.597 1.00 0.41 C ATOM 944 O GLY A 64 5.704 -5.716 8.673 1.00 0.54 O ATOM 0 H GLY A 64 7.574 -4.104 5.709 1.00 0.43 H new ATOM 0 HA2 GLY A 64 8.305 -5.899 7.242 1.00 0.45 H new ATOM 0 HA3 GLY A 64 8.032 -4.776 8.559 1.00 0.45 H new ATOM 948 N TYR A 65 5.578 -5.518 6.434 1.00 0.33 N ATOM 949 CA TYR A 65 4.207 -5.990 6.326 1.00 0.38 C ATOM 950 C TYR A 65 4.132 -7.023 5.210 1.00 0.47 C ATOM 951 O TYR A 65 4.503 -6.734 4.074 1.00 1.08 O ATOM 952 CB TYR A 65 3.264 -4.819 6.035 1.00 0.49 C ATOM 953 CG TYR A 65 3.439 -3.634 6.960 1.00 0.55 C ATOM 954 CD1 TYR A 65 2.933 -3.676 8.273 1.00 1.80 C ATOM 955 CD2 TYR A 65 4.183 -2.520 6.531 1.00 1.78 C ATOM 956 CE1 TYR A 65 3.142 -2.588 9.140 1.00 1.91 C ATOM 957 CE2 TYR A 65 4.373 -1.425 7.390 1.00 1.77 C ATOM 958 CZ TYR A 65 3.860 -1.464 8.697 1.00 0.83 C ATOM 959 OH TYR A 65 4.065 -0.412 9.538 1.00 1.02 O ATOM 0 H TYR A 65 5.990 -5.243 5.542 1.00 0.33 H new ATOM 0 HA TYR A 65 3.899 -6.446 7.267 1.00 0.38 H new ATOM 0 HB2 TYR A 65 3.419 -4.489 5.008 1.00 0.49 H new ATOM 0 HB3 TYR A 65 2.235 -5.171 6.105 1.00 0.49 H new ATOM 0 HD1 TYR A 65 2.385 -4.542 8.614 1.00 1.80 H new ATOM 0 HD2 TYR A 65 4.609 -2.507 5.539 1.00 1.78 H new ATOM 0 HE1 TYR A 65 2.751 -2.617 10.146 1.00 1.91 H new ATOM 0 HE2 TYR A 65 4.912 -0.555 7.046 1.00 1.77 H new ATOM 0 HH TYR A 65 4.580 0.281 9.075 1.00 1.02 H new ATOM 969 N SER A 66 3.617 -8.214 5.511 1.00 0.47 N ATOM 970 CA SER A 66 3.353 -9.216 4.506 1.00 0.41 C ATOM 971 C SER A 66 2.025 -8.835 3.858 1.00 0.38 C ATOM 972 O SER A 66 1.000 -8.742 4.534 1.00 0.49 O ATOM 973 CB SER A 66 3.292 -10.589 5.184 1.00 0.51 C ATOM 974 OG SER A 66 2.783 -10.462 6.503 1.00 1.50 O ATOM 0 H SER A 66 3.375 -8.501 6.459 1.00 0.47 H new ATOM 0 HA SER A 66 4.130 -9.267 3.743 1.00 0.41 H new ATOM 0 HB2 SER A 66 2.658 -11.261 4.605 1.00 0.51 H new ATOM 0 HB3 SER A 66 4.287 -11.034 5.211 1.00 0.51 H new ATOM 0 HG SER A 66 2.747 -11.345 6.926 1.00 1.50 H new ATOM 980 N LEU A 67 2.065 -8.585 2.551 1.00 0.42 N ATOM 981 CA LEU A 67 0.881 -8.410 1.735 1.00 0.42 C ATOM 982 C LEU A 67 0.853 -9.472 0.650 1.00 0.41 C ATOM 983 O LEU A 67 1.749 -10.312 0.572 1.00 0.41 O ATOM 984 CB LEU A 67 0.783 -6.980 1.183 1.00 0.39 C ATOM 985 CG LEU A 67 1.966 -6.456 0.360 1.00 0.38 C ATOM 986 CD1 LEU A 67 2.085 -7.187 -0.974 1.00 0.73 C ATOM 987 CD2 LEU A 67 1.697 -4.958 0.207 1.00 0.79 C ATOM 0 H LEU A 67 2.937 -8.498 2.028 1.00 0.42 H new ATOM 0 HA LEU A 67 -0.007 -8.544 2.352 1.00 0.42 H new ATOM 0 HB2 LEU A 67 -0.111 -6.919 0.563 1.00 0.39 H new ATOM 0 HB3 LEU A 67 0.633 -6.304 2.025 1.00 0.39 H new ATOM 0 HG LEU A 67 2.927 -6.631 0.844 1.00 0.38 H new ATOM 0 HD11 LEU A 67 2.934 -6.791 -1.532 1.00 0.73 H new ATOM 0 HD12 LEU A 67 2.235 -8.251 -0.793 1.00 0.73 H new ATOM 0 HD13 LEU A 67 1.172 -7.042 -1.551 1.00 0.73 H new ATOM 0 HD21 LEU A 67 2.499 -4.502 -0.372 1.00 0.79 H new ATOM 0 HD22 LEU A 67 0.748 -4.810 -0.308 1.00 0.79 H new ATOM 0 HD23 LEU A 67 1.652 -4.494 1.192 1.00 0.79 H new ATOM 999 N ARG A 68 -0.176 -9.425 -0.193 1.00 0.52 N ATOM 1000 CA ARG A 68 -0.230 -10.142 -1.442 1.00 0.59 C ATOM 1001 C ARG A 68 -0.749 -9.119 -2.434 1.00 0.72 C ATOM 1002 O ARG A 68 -1.635 -8.339 -2.073 1.00 1.11 O ATOM 1003 CB ARG A 68 -1.207 -11.316 -1.343 1.00 0.70 C ATOM 1004 CG ARG A 68 -0.881 -12.233 -0.160 1.00 0.51 C ATOM 1005 CD ARG A 68 -1.813 -13.448 -0.064 1.00 1.26 C ATOM 1006 NE ARG A 68 -1.612 -14.414 -1.161 1.00 2.33 N ATOM 1007 CZ ARG A 68 -2.287 -14.456 -2.323 1.00 3.94 C ATOM 1008 NH1 ARG A 68 -3.143 -13.477 -2.641 1.00 4.71 N ATOM 1009 NH2 ARG A 68 -2.103 -15.480 -3.162 1.00 5.33 N ATOM 0 H ARG A 68 -1.012 -8.869 -0.011 1.00 0.52 H new ATOM 0 HA ARG A 68 0.737 -10.557 -1.726 1.00 0.59 H new ATOM 0 HB2 ARG A 68 -2.223 -10.935 -1.238 1.00 0.70 H new ATOM 0 HB3 ARG A 68 -1.177 -11.892 -2.268 1.00 0.70 H new ATOM 0 HG2 ARG A 68 0.149 -12.579 -0.250 1.00 0.51 H new ATOM 0 HG3 ARG A 68 -0.945 -11.660 0.765 1.00 0.51 H new ATOM 0 HD2 ARG A 68 -1.650 -13.950 0.890 1.00 1.26 H new ATOM 0 HD3 ARG A 68 -2.848 -13.107 -0.072 1.00 1.26 H new ATOM 0 HE ARG A 68 -0.889 -15.120 -1.024 1.00 2.33 H new ATOM 0 HH11 ARG A 68 -3.285 -12.696 -2.001 1.00 4.71 H new ATOM 0 HH12 ARG A 68 -3.653 -13.512 -3.523 1.00 4.71 H new ATOM 0 HH21 ARG A 68 -1.452 -16.227 -2.920 1.00 5.33 H new ATOM 0 HH22 ARG A 68 -2.614 -15.515 -4.044 1.00 5.33 H new ATOM 1023 N ASP A 69 -0.208 -9.118 -3.651 1.00 0.51 N ATOM 1024 CA ASP A 69 -0.777 -8.378 -4.740 1.00 0.53 C ATOM 1025 C ASP A 69 -2.200 -8.869 -4.886 1.00 0.55 C ATOM 1026 O ASP A 69 -2.441 -10.080 -4.927 1.00 1.07 O ATOM 1027 CB ASP A 69 -0.026 -8.678 -6.036 1.00 0.77 C ATOM 1028 CG ASP A 69 -0.421 -7.727 -7.156 1.00 2.12 C ATOM 1029 OD1 ASP A 69 -0.440 -6.505 -6.902 1.00 3.42 O ATOM 1030 OD2 ASP A 69 -0.668 -8.201 -8.287 1.00 3.19 O ATOM 0 H ASP A 69 0.637 -9.635 -3.894 1.00 0.51 H new ATOM 0 HA ASP A 69 -0.723 -7.306 -4.548 1.00 0.53 H new ATOM 0 HB2 ASP A 69 1.047 -8.604 -5.859 1.00 0.77 H new ATOM 0 HB3 ASP A 69 -0.228 -9.704 -6.343 1.00 0.77 H new ATOM 1035 N GLU A 70 -3.121 -7.923 -4.913 1.00 0.39 N ATOM 1036 CA GLU A 70 -4.490 -8.193 -5.287 1.00 0.41 C ATOM 1037 C GLU A 70 -4.724 -7.767 -6.734 1.00 0.44 C ATOM 1038 O GLU A 70 -3.843 -7.204 -7.383 1.00 0.56 O ATOM 1039 CB GLU A 70 -5.475 -7.541 -4.311 1.00 0.51 C ATOM 1040 CG GLU A 70 -6.199 -8.565 -3.438 1.00 0.47 C ATOM 1041 CD GLU A 70 -7.207 -9.398 -4.202 1.00 1.34 C ATOM 1042 OE1 GLU A 70 -7.601 -8.914 -5.283 1.00 2.17 O ATOM 1043 OE2 GLU A 70 -7.560 -10.486 -3.689 1.00 2.71 O ATOM 0 H GLU A 70 -2.938 -6.948 -4.676 1.00 0.39 H new ATOM 0 HA GLU A 70 -4.672 -9.266 -5.224 1.00 0.41 H new ATOM 0 HB2 GLU A 70 -4.938 -6.839 -3.673 1.00 0.51 H new ATOM 0 HB3 GLU A 70 -6.209 -6.963 -4.873 1.00 0.51 H new ATOM 0 HG2 GLU A 70 -5.464 -9.227 -2.980 1.00 0.47 H new ATOM 0 HG3 GLU A 70 -6.708 -8.045 -2.627 1.00 0.47 H new ATOM 1050 N GLN A 71 -5.928 -8.024 -7.239 1.00 0.49 N ATOM 1051 CA GLN A 71 -6.332 -7.484 -8.524 1.00 0.53 C ATOM 1052 C GLN A 71 -6.468 -5.960 -8.432 1.00 0.54 C ATOM 1053 O GLN A 71 -6.383 -5.368 -7.351 1.00 0.66 O ATOM 1054 CB GLN A 71 -7.600 -8.181 -9.040 1.00 0.71 C ATOM 1055 CG GLN A 71 -8.878 -7.818 -8.270 1.00 1.65 C ATOM 1056 CD GLN A 71 -9.711 -9.048 -7.920 1.00 2.56 C ATOM 1057 OE1 GLN A 71 -10.282 -9.704 -8.784 1.00 3.08 O ATOM 1058 NE2 GLN A 71 -9.771 -9.377 -6.639 1.00 3.43 N ATOM 0 H GLN A 71 -6.633 -8.599 -6.778 1.00 0.49 H new ATOM 0 HA GLN A 71 -5.559 -7.689 -9.265 1.00 0.53 H new ATOM 0 HB2 GLN A 71 -7.738 -7.927 -10.091 1.00 0.71 H new ATOM 0 HB3 GLN A 71 -7.454 -9.260 -8.990 1.00 0.71 H new ATOM 0 HG2 GLN A 71 -8.611 -7.290 -7.355 1.00 1.65 H new ATOM 0 HG3 GLN A 71 -9.479 -7.133 -8.869 1.00 1.65 H new ATOM 0 HE21 GLN A 71 -9.285 -8.811 -5.944 1.00 3.43 H new ATOM 0 HE22 GLN A 71 -10.303 -10.197 -6.347 1.00 3.43 H new ATOM 1067 N ALA A 72 -6.681 -5.319 -9.580 1.00 0.60 N ATOM 1068 CA ALA A 72 -6.879 -3.883 -9.623 1.00 0.68 C ATOM 1069 C ALA A 72 -8.174 -3.545 -8.878 1.00 0.84 C ATOM 1070 O ALA A 72 -8.152 -2.976 -7.780 1.00 1.86 O ATOM 1071 CB ALA A 72 -6.877 -3.410 -11.083 1.00 0.90 C ATOM 0 H ALA A 72 -6.720 -5.778 -10.490 1.00 0.60 H new ATOM 0 HA ALA A 72 -6.067 -3.354 -9.124 1.00 0.68 H new ATOM 0 HB1 ALA A 72 -7.026 -2.331 -11.116 1.00 0.90 H new ATOM 0 HB2 ALA A 72 -5.922 -3.659 -11.545 1.00 0.90 H new ATOM 0 HB3 ALA A 72 -7.682 -3.904 -11.627 1.00 0.90 H new ATOM 1077 N ALA A 73 -9.306 -3.947 -9.460 1.00 1.05 N ATOM 1078 CA ALA A 73 -10.625 -3.702 -8.895 1.00 1.13 C ATOM 1079 C ALA A 73 -11.568 -4.751 -9.463 1.00 1.46 C ATOM 1080 O ALA A 73 -12.116 -5.577 -8.736 1.00 2.56 O ATOM 1081 CB ALA A 73 -11.084 -2.282 -9.253 1.00 1.20 C ATOM 0 H ALA A 73 -9.328 -4.456 -10.344 1.00 1.05 H new ATOM 0 HA ALA A 73 -10.611 -3.775 -7.808 1.00 1.13 H new ATOM 0 HB1 ALA A 73 -12.072 -2.101 -8.829 1.00 1.20 H new ATOM 0 HB2 ALA A 73 -10.377 -1.558 -8.848 1.00 1.20 H new ATOM 0 HB3 ALA A 73 -11.130 -2.177 -10.337 1.00 1.20 H new ATOM 1087 N GLU A 74 -11.673 -4.718 -10.785 1.00 2.26 N ATOM 1088 CA GLU A 74 -11.940 -5.867 -11.616 1.00 2.75 C ATOM 1089 C GLU A 74 -10.568 -6.222 -12.215 1.00 3.79 C ATOM 1090 O GLU A 74 -9.569 -5.616 -11.741 1.00 4.62 O ATOM 1091 CB GLU A 74 -12.986 -5.456 -12.664 1.00 4.13 C ATOM 1092 CG GLU A 74 -14.328 -5.080 -12.000 1.00 4.57 C ATOM 1093 CD GLU A 74 -15.019 -3.924 -12.712 1.00 6.39 C ATOM 1094 OE1 GLU A 74 -14.669 -2.768 -12.383 1.00 7.29 O ATOM 1095 OE2 GLU A 74 -15.886 -4.211 -13.563 1.00 7.32 O ATOM 1096 OXT GLU A 74 -10.538 -7.073 -13.129 1.00 4.61 O ATOM 0 H GLU A 74 -11.570 -3.856 -11.320 1.00 2.26 H new ATOM 0 HA GLU A 74 -12.352 -6.734 -11.100 1.00 2.75 H new ATOM 0 HB2 GLU A 74 -12.613 -4.609 -13.240 1.00 4.13 H new ATOM 0 HB3 GLU A 74 -13.142 -6.275 -13.366 1.00 4.13 H new ATOM 0 HG2 GLU A 74 -14.986 -5.949 -11.998 1.00 4.57 H new ATOM 0 HG3 GLU A 74 -14.153 -4.810 -10.958 1.00 4.57 H new TER 1103 GLU A 74