USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN :FLIP amide:sc= -4.36! C(o=-6.2!,f=-5.5!) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.14 K(o=-5.5,f=-6.2) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -116:sc= 0.0792 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.0121 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 6 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 40 ASN : amide:sc= 0.959 K(o=0.96,f=-5.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.633 F(o=-4.8!,f=-0.63) USER MOD Single : A 62 SER OG : rot 168:sc= 0.87 USER MOD Single : A 84 TYR OH : rot 30:sc= -4.02! USER MOD Single : A 85 GLN : amide:sc= -3.42! C(o=-3.4!,f=-3!) USER MOD Single : A 89 GLN : amide:sc= -0.94 X(o=-0.94,f=-0.65) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -42:sc= 0.106 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.990 -8.524 8.515 1.00 5.35 N ATOM 2 CA SER A 1 14.930 -8.745 7.508 1.00 4.89 C ATOM 3 C SER A 1 15.339 -8.198 6.139 1.00 4.07 C ATOM 4 O SER A 1 15.488 -8.957 5.179 1.00 4.19 O ATOM 5 CB SER A 1 13.630 -8.085 7.975 1.00 5.38 C ATOM 6 OG SER A 1 13.244 -8.569 9.252 1.00 5.96 O ATOM 0 H1 SER A 1 15.560 -8.431 9.457 1.00 5.35 H new ATOM 0 H2 SER A 1 16.646 -9.331 8.512 1.00 5.35 H new ATOM 0 H3 SER A 1 16.511 -7.654 8.285 1.00 5.35 H new ATOM 0 HA SER A 1 14.775 -9.819 7.404 1.00 4.89 H new ATOM 0 HB2 SER A 1 13.761 -7.004 8.016 1.00 5.38 H new ATOM 0 HB3 SER A 1 12.838 -8.282 7.253 1.00 5.38 H new ATOM 0 HG SER A 1 12.412 -8.132 9.530 1.00 5.96 H new ATOM 14 N ALA A 2 15.528 -6.885 6.046 1.00 3.54 N ATOM 15 CA ALA A 2 15.868 -6.255 4.778 1.00 2.75 C ATOM 16 C ALA A 2 17.294 -5.739 4.784 1.00 2.55 C ATOM 17 O ALA A 2 17.743 -5.147 5.765 1.00 2.81 O ATOM 18 CB ALA A 2 14.913 -5.114 4.477 1.00 2.31 C ATOM 0 H ALA A 2 15.451 -6.240 6.832 1.00 3.54 H new ATOM 0 HA ALA A 2 15.779 -7.013 4.000 1.00 2.75 H new ATOM 0 HB1 ALA A 2 15.183 -4.655 3.526 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.894 -5.498 4.419 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.975 -4.369 5.270 1.00 2.31 H new ATOM 24 N ALA A 3 17.993 -5.961 3.681 1.00 2.36 N ATOM 25 CA ALA A 3 19.362 -5.488 3.531 1.00 2.24 C ATOM 26 C ALA A 3 19.444 -3.956 3.579 1.00 1.58 C ATOM 27 O ALA A 3 20.289 -3.414 4.287 1.00 2.00 O ATOM 28 CB ALA A 3 19.981 -6.025 2.247 1.00 2.41 C ATOM 0 H ALA A 3 17.633 -6.468 2.873 1.00 2.36 H new ATOM 0 HA ALA A 3 19.935 -5.870 4.376 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.004 -5.659 2.155 1.00 2.41 H new ATOM 0 HB2 ALA A 3 19.987 -7.115 2.274 1.00 2.41 H new ATOM 0 HB3 ALA A 3 19.396 -5.686 1.392 1.00 2.41 H new ATOM 34 N PRO A 4 18.596 -3.220 2.824 1.00 0.85 N ATOM 35 CA PRO A 4 18.603 -1.766 2.864 1.00 0.76 C ATOM 36 C PRO A 4 17.632 -1.195 3.903 1.00 0.79 C ATOM 37 O PRO A 4 18.044 -0.553 4.871 1.00 1.23 O ATOM 38 CB PRO A 4 18.175 -1.393 1.443 1.00 1.00 C ATOM 39 CG PRO A 4 17.307 -2.521 0.976 1.00 1.18 C ATOM 40 CD PRO A 4 17.602 -3.717 1.856 1.00 1.10 C ATOM 0 HA PRO A 4 19.572 -1.362 3.157 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.630 -0.449 1.433 1.00 1.00 H new ATOM 0 HB3 PRO A 4 19.041 -1.269 0.792 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.254 -2.247 1.042 1.00 1.18 H new ATOM 0 HG3 PRO A 4 17.511 -2.754 -0.069 1.00 1.18 H new ATOM 0 HD2 PRO A 4 16.702 -4.074 2.357 1.00 1.10 H new ATOM 0 HD3 PRO A 4 17.995 -4.551 1.275 1.00 1.10 H new ATOM 48 N LEU A 5 16.347 -1.456 3.715 1.00 0.43 N ATOM 49 CA LEU A 5 15.316 -0.863 4.545 1.00 0.45 C ATOM 50 C LEU A 5 14.088 -1.762 4.590 1.00 0.37 C ATOM 51 O LEU A 5 13.816 -2.494 3.638 1.00 0.42 O ATOM 52 CB LEU A 5 14.926 0.496 3.971 1.00 0.52 C ATOM 53 CG LEU A 5 14.257 0.419 2.604 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.826 0.911 2.686 1.00 1.28 C ATOM 55 CD2 LEU A 5 15.042 1.195 1.558 1.00 1.27 C ATOM 0 H LEU A 5 15.994 -2.079 2.989 1.00 0.43 H new ATOM 0 HA LEU A 5 15.703 -0.743 5.557 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.251 0.994 4.667 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.819 1.117 3.893 1.00 0.52 H new ATOM 0 HG LEU A 5 14.244 -0.626 2.293 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.363 0.849 1.701 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.268 0.292 3.389 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.816 1.946 3.027 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.538 1.120 0.595 1.00 1.27 H new ATOM 0 HD22 LEU A 5 15.105 2.242 1.853 1.00 1.27 H new ATOM 0 HD23 LEU A 5 16.047 0.780 1.475 1.00 1.27 H new ATOM 67 N CYS A 6 13.354 -1.701 5.685 1.00 0.34 N ATOM 68 CA CYS A 6 12.108 -2.439 5.806 1.00 0.31 C ATOM 69 C CYS A 6 10.939 -1.467 5.702 1.00 0.24 C ATOM 70 O CYS A 6 11.070 -0.298 6.075 1.00 0.27 O ATOM 71 CB CYS A 6 12.056 -3.191 7.139 1.00 0.40 C ATOM 72 SG CYS A 6 13.456 -4.304 7.421 1.00 1.35 S ATOM 0 H CYS A 6 13.599 -1.147 6.506 1.00 0.34 H new ATOM 0 HA CYS A 6 12.045 -3.172 5.001 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.015 -2.465 7.951 1.00 0.40 H new ATOM 0 HB3 CYS A 6 11.133 -3.769 7.181 1.00 0.40 H new ATOM 0 HG CYS A 6 13.320 -4.889 8.574 1.00 1.35 H new ATOM 78 N VAL A 7 9.810 -1.925 5.173 1.00 0.24 N ATOM 79 CA VAL A 7 8.639 -1.066 5.051 1.00 0.25 C ATOM 80 C VAL A 7 7.416 -1.737 5.666 1.00 0.25 C ATOM 81 O VAL A 7 7.287 -2.965 5.654 1.00 0.31 O ATOM 82 CB VAL A 7 8.346 -0.676 3.582 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.572 -0.041 2.946 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.889 -1.874 2.767 1.00 0.61 C ATOM 0 H VAL A 7 9.681 -2.875 4.825 1.00 0.24 H new ATOM 0 HA VAL A 7 8.861 -0.149 5.596 1.00 0.25 H new ATOM 0 HB VAL A 7 7.534 0.051 3.589 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.349 0.227 1.913 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.847 0.855 3.502 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.400 -0.749 2.966 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.692 -1.563 1.741 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.668 -2.636 2.772 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.978 -2.284 3.202 1.00 0.61 H new ATOM 94 N LYS A 8 6.534 -0.926 6.220 1.00 0.26 N ATOM 95 CA LYS A 8 5.335 -1.420 6.869 1.00 0.28 C ATOM 96 C LYS A 8 4.108 -1.054 6.054 1.00 0.28 C ATOM 97 O LYS A 8 3.878 0.115 5.759 1.00 0.38 O ATOM 98 CB LYS A 8 5.215 -0.823 8.272 1.00 0.35 C ATOM 99 CG LYS A 8 4.014 -1.331 9.055 1.00 0.61 C ATOM 100 CD LYS A 8 3.205 -0.188 9.654 1.00 0.86 C ATOM 101 CE LYS A 8 4.063 0.722 10.521 1.00 1.08 C ATOM 102 NZ LYS A 8 3.252 1.751 11.222 1.00 1.61 N ATOM 0 H LYS A 8 6.628 0.090 6.233 1.00 0.26 H new ATOM 0 HA LYS A 8 5.402 -2.505 6.944 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.123 -1.048 8.831 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.151 0.262 8.191 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.376 -1.923 8.399 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.353 -1.993 9.852 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.753 0.396 8.852 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.389 -0.595 10.251 1.00 0.86 H new ATOM 0 HE2 LYS A 8 4.600 0.122 11.255 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.813 1.213 9.900 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 3.526 2.697 10.886 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 2.243 1.592 11.024 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 3.419 1.686 12.246 1.00 1.61 H new ATOM 116 N VAL A 9 3.329 -2.053 5.696 1.00 0.25 N ATOM 117 CA VAL A 9 2.081 -1.836 4.992 1.00 0.26 C ATOM 118 C VAL A 9 0.923 -2.117 5.937 1.00 0.23 C ATOM 119 O VAL A 9 0.909 -3.146 6.601 1.00 0.27 O ATOM 120 CB VAL A 9 1.980 -2.747 3.752 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.629 -2.606 3.075 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.105 -2.441 2.775 1.00 0.77 C ATOM 0 H VAL A 9 3.540 -3.033 5.883 1.00 0.25 H new ATOM 0 HA VAL A 9 2.043 -0.801 4.653 1.00 0.26 H new ATOM 0 HB VAL A 9 2.079 -3.780 4.084 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.588 -3.260 2.204 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.159 -2.883 3.775 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.486 -1.573 2.759 1.00 0.89 H new ATOM 0 HG21 VAL A 9 3.019 -3.093 1.905 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.038 -1.401 2.457 1.00 0.77 H new ATOM 0 HG23 VAL A 9 4.066 -2.610 3.262 1.00 0.77 H new ATOM 132 N GLU A 10 -0.016 -1.192 6.034 1.00 0.21 N ATOM 133 CA GLU A 10 -1.146 -1.362 6.934 1.00 0.23 C ATOM 134 C GLU A 10 -2.418 -0.769 6.333 1.00 0.25 C ATOM 135 O GLU A 10 -2.364 0.114 5.474 1.00 0.26 O ATOM 136 CB GLU A 10 -0.831 -0.715 8.290 1.00 0.28 C ATOM 137 CG GLU A 10 -1.914 -0.889 9.343 1.00 0.37 C ATOM 138 CD GLU A 10 -1.524 -0.301 10.685 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.769 0.693 10.708 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.957 -0.843 11.725 1.00 1.08 O ATOM 0 H GLU A 10 -0.020 -0.320 5.505 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.317 -2.428 7.082 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.099 -1.137 8.671 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.659 0.351 8.138 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.832 -0.415 8.996 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.130 -1.950 9.465 1.00 0.37 H new ATOM 147 N PHE A 11 -3.560 -1.280 6.772 1.00 0.30 N ATOM 148 CA PHE A 11 -4.850 -0.747 6.367 1.00 0.34 C ATOM 149 C PHE A 11 -5.488 0.017 7.524 1.00 0.34 C ATOM 150 O PHE A 11 -5.558 -0.482 8.646 1.00 0.74 O ATOM 151 CB PHE A 11 -5.754 -1.874 5.875 1.00 0.74 C ATOM 152 CG PHE A 11 -5.234 -2.517 4.621 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.361 -1.890 3.393 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.643 -3.768 4.668 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.906 -2.493 2.239 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.182 -4.375 3.519 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.230 -3.672 2.305 1.00 4.80 C ATOM 0 H PHE A 11 -3.617 -2.070 7.414 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.708 -0.049 5.542 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.847 -2.629 6.656 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.754 -1.481 5.691 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.823 -0.915 3.338 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.542 -4.275 5.616 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -5.087 -2.028 1.281 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.788 -5.380 3.553 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.734 -4.064 1.430 1.00 4.80 H new ATOM 167 N GLY A 12 -5.945 1.227 7.236 1.00 0.23 N ATOM 168 CA GLY A 12 -6.350 2.143 8.284 1.00 0.39 C ATOM 169 C GLY A 12 -7.827 2.475 8.258 1.00 0.28 C ATOM 170 O GLY A 12 -8.535 2.237 9.233 1.00 0.34 O ATOM 0 H GLY A 12 -6.043 1.593 6.289 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.100 1.709 9.252 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.777 3.065 8.191 1.00 0.39 H new ATOM 174 N GLY A 13 -8.294 3.007 7.129 1.00 0.24 N ATOM 175 CA GLY A 13 -9.677 3.465 7.014 1.00 0.26 C ATOM 176 C GLY A 13 -10.674 2.332 6.876 1.00 0.29 C ATOM 177 O GLY A 13 -11.512 2.354 5.983 1.00 0.45 O ATOM 0 H GLY A 13 -7.737 3.131 6.284 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.930 4.058 7.893 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.764 4.123 6.150 1.00 0.26 H new ATOM 181 N GLY A 14 -10.586 1.341 7.751 1.00 0.28 N ATOM 182 CA GLY A 14 -11.441 0.175 7.639 1.00 0.35 C ATOM 183 C GLY A 14 -11.207 -0.574 6.342 1.00 0.36 C ATOM 184 O GLY A 14 -12.035 -1.375 5.917 1.00 0.41 O ATOM 0 H GLY A 14 -9.937 1.323 8.538 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.258 -0.492 8.482 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.485 0.483 7.697 1.00 0.35 H new ATOM 188 N ALA A 15 -10.061 -0.314 5.717 1.00 0.35 N ATOM 189 CA ALA A 15 -9.712 -0.953 4.457 1.00 0.39 C ATOM 190 C ALA A 15 -9.509 -2.447 4.673 1.00 0.39 C ATOM 191 O ALA A 15 -9.729 -3.254 3.779 1.00 0.42 O ATOM 192 CB ALA A 15 -8.464 -0.305 3.871 1.00 0.44 C ATOM 0 H ALA A 15 -9.358 0.337 6.067 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.527 -0.820 3.745 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.211 -0.790 2.928 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.652 0.754 3.695 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.635 -0.415 4.570 1.00 0.44 H new ATOM 198 N GLU A 16 -9.124 -2.792 5.893 1.00 0.38 N ATOM 199 CA GLU A 16 -8.927 -4.177 6.308 1.00 0.38 C ATOM 200 C GLU A 16 -10.195 -5.001 6.142 1.00 0.36 C ATOM 201 O GLU A 16 -10.129 -6.210 5.964 1.00 0.37 O ATOM 202 CB GLU A 16 -8.475 -4.206 7.766 1.00 0.45 C ATOM 203 CG GLU A 16 -9.431 -3.460 8.687 1.00 0.57 C ATOM 204 CD GLU A 16 -8.933 -3.348 10.106 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.121 -4.306 10.880 1.00 1.54 O ATOM 206 OE2 GLU A 16 -8.331 -2.308 10.445 1.00 1.60 O ATOM 0 H GLU A 16 -8.937 -2.113 6.631 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.162 -4.619 5.669 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.391 -5.241 8.096 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.481 -3.765 7.844 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.600 -2.459 8.289 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.395 -3.969 8.687 1.00 0.57 H new ATOM 213 N LEU A 17 -11.349 -4.346 6.215 1.00 0.35 N ATOM 214 CA LEU A 17 -12.629 -5.029 6.070 1.00 0.37 C ATOM 215 C LEU A 17 -12.759 -5.653 4.681 1.00 0.36 C ATOM 216 O LEU A 17 -13.589 -6.531 4.459 1.00 0.41 O ATOM 217 CB LEU A 17 -13.783 -4.054 6.317 1.00 0.39 C ATOM 218 CG LEU A 17 -13.776 -3.371 7.686 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.862 -2.311 7.756 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.956 -4.392 8.799 1.00 0.83 C ATOM 0 H LEU A 17 -11.424 -3.341 6.374 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.674 -5.827 6.812 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.760 -3.285 5.545 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.724 -4.593 6.202 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.809 -2.886 7.821 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.843 -1.835 8.736 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.688 -1.561 6.985 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.835 -2.776 7.597 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.948 -3.884 9.763 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.907 -4.908 8.669 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.142 -5.116 8.763 1.00 0.83 H new ATOM 232 N LEU A 18 -11.919 -5.203 3.757 1.00 0.35 N ATOM 233 CA LEU A 18 -11.876 -5.759 2.410 1.00 0.39 C ATOM 234 C LEU A 18 -11.057 -7.041 2.417 1.00 0.42 C ATOM 235 O LEU A 18 -11.138 -7.864 1.504 1.00 0.49 O ATOM 236 CB LEU A 18 -11.241 -4.748 1.450 1.00 0.38 C ATOM 237 CG LEU A 18 -11.984 -3.417 1.313 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.083 -2.365 0.694 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.237 -3.588 0.468 1.00 0.49 C ATOM 0 H LEU A 18 -11.253 -4.448 3.918 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.891 -5.977 2.078 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.224 -4.544 1.785 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.166 -5.206 0.464 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.276 -3.088 2.310 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.629 -1.426 0.605 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.208 -2.218 1.327 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.764 -2.695 -0.295 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.751 -2.631 0.382 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.961 -3.942 -0.525 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.898 -4.314 0.941 1.00 0.49 H new ATOM 251 N PHE A 19 -10.263 -7.194 3.468 1.00 0.39 N ATOM 252 CA PHE A 19 -9.350 -8.313 3.595 1.00 0.47 C ATOM 253 C PHE A 19 -9.677 -9.124 4.849 1.00 0.60 C ATOM 254 O PHE A 19 -8.798 -9.763 5.426 1.00 0.97 O ATOM 255 CB PHE A 19 -7.923 -7.778 3.666 1.00 0.45 C ATOM 256 CG PHE A 19 -7.648 -6.746 2.614 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.269 -7.124 1.338 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.744 -5.401 2.907 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.992 -6.176 0.375 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.472 -4.450 1.949 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.185 -4.835 0.658 1.00 0.59 C ATOM 0 H PHE A 19 -10.236 -6.544 4.254 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.452 -8.970 2.731 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.749 -7.345 4.651 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.222 -8.605 3.553 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.189 -8.173 1.093 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.036 -5.091 3.899 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.626 -6.479 -0.595 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.484 -3.402 2.210 1.00 0.75 H new ATOM 0 HZ PHE A 19 -7.111 -4.097 -0.127 1.00 0.59 H new ATOM 271 N ASP A 20 -10.947 -9.063 5.268 1.00 0.55 N ATOM 272 CA ASP A 20 -11.467 -9.851 6.402 1.00 0.69 C ATOM 273 C ASP A 20 -11.098 -9.231 7.758 1.00 0.72 C ATOM 274 O ASP A 20 -11.704 -9.550 8.783 1.00 1.07 O ATOM 275 CB ASP A 20 -10.982 -11.310 6.321 1.00 0.80 C ATOM 276 CG ASP A 20 -11.487 -12.175 7.460 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.648 -12.634 7.396 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.735 -12.377 8.437 1.00 1.28 O ATOM 0 H ASP A 20 -11.648 -8.465 4.831 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.554 -9.839 6.328 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.307 -11.742 5.374 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.892 -11.324 6.319 1.00 0.80 H new ATOM 283 N GLY A 21 -10.142 -8.318 7.765 1.00 0.57 N ATOM 284 CA GLY A 21 -9.726 -7.707 9.014 1.00 0.59 C ATOM 285 C GLY A 21 -8.224 -7.677 9.194 1.00 0.59 C ATOM 286 O GLY A 21 -7.730 -7.127 10.179 1.00 0.79 O ATOM 0 H GLY A 21 -9.647 -7.988 6.936 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.111 -6.688 9.058 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.174 -8.253 9.844 1.00 0.59 H new ATOM 290 N VAL A 22 -7.492 -8.282 8.269 1.00 0.51 N ATOM 291 CA VAL A 22 -6.041 -8.195 8.300 1.00 0.53 C ATOM 292 C VAL A 22 -5.606 -6.849 7.723 1.00 0.45 C ATOM 293 O VAL A 22 -6.074 -6.433 6.662 1.00 0.47 O ATOM 294 CB VAL A 22 -5.361 -9.366 7.547 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.754 -9.387 6.077 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.848 -9.298 7.698 1.00 1.41 C ATOM 0 H VAL A 22 -7.873 -8.831 7.498 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.719 -8.272 9.339 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.712 -10.295 7.997 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -5.259 -10.221 5.580 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.834 -9.503 5.991 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.451 -8.452 5.606 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -3.391 -10.130 7.162 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.483 -8.357 7.287 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.585 -9.359 8.754 1.00 1.41 H new ATOM 306 N LYS A 23 -4.746 -6.153 8.446 1.00 0.48 N ATOM 307 CA LYS A 23 -4.390 -4.796 8.095 1.00 0.52 C ATOM 308 C LYS A 23 -2.883 -4.609 7.974 1.00 0.40 C ATOM 309 O LYS A 23 -2.379 -4.245 6.913 1.00 0.37 O ATOM 310 CB LYS A 23 -4.967 -3.840 9.126 1.00 0.75 C ATOM 311 CG LYS A 23 -5.033 -4.432 10.515 1.00 0.85 C ATOM 312 CD LYS A 23 -5.758 -3.518 11.480 1.00 1.06 C ATOM 313 CE LYS A 23 -5.043 -2.190 11.650 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.803 -1.272 12.532 1.00 2.07 N ATOM 0 H LYS A 23 -4.282 -6.510 9.281 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.813 -4.579 7.114 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.360 -2.935 9.152 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -5.969 -3.543 8.816 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -5.540 -5.396 10.476 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -4.023 -4.618 10.880 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.771 -3.341 11.120 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.845 -4.010 12.449 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.051 -2.361 12.069 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -4.901 -1.725 10.675 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.286 -0.374 12.627 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -6.740 -1.090 12.119 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -5.916 -1.707 13.470 1.00 2.07 H new ATOM 328 N LYS A 24 -2.171 -4.847 9.061 1.00 0.38 N ATOM 329 CA LYS A 24 -0.729 -4.658 9.086 1.00 0.33 C ATOM 330 C LYS A 24 -0.002 -5.855 8.481 1.00 0.34 C ATOM 331 O LYS A 24 -0.198 -6.999 8.892 1.00 0.47 O ATOM 332 CB LYS A 24 -0.254 -4.418 10.519 1.00 0.43 C ATOM 333 CG LYS A 24 1.205 -4.005 10.616 1.00 0.49 C ATOM 334 CD LYS A 24 1.637 -3.812 12.059 1.00 0.66 C ATOM 335 CE LYS A 24 3.059 -3.282 12.145 1.00 1.04 C ATOM 336 NZ LYS A 24 3.506 -3.111 13.551 1.00 1.59 N ATOM 0 H LYS A 24 -2.569 -5.173 9.942 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.493 -3.783 8.481 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.873 -3.644 10.973 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.405 -5.328 11.100 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.831 -4.764 10.147 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.359 -3.079 10.063 1.00 0.49 H new ATOM 0 HD2 LYS A 24 0.958 -3.118 12.554 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.568 -4.761 12.591 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.733 -3.968 11.631 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.121 -2.325 11.626 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 4.480 -2.748 13.564 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 2.879 -2.437 14.035 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.472 -4.028 14.040 1.00 1.59 H new ATOM 350 N HIS A 25 0.839 -5.573 7.501 1.00 0.29 N ATOM 351 CA HIS A 25 1.627 -6.588 6.830 1.00 0.34 C ATOM 352 C HIS A 25 2.991 -6.006 6.466 1.00 0.34 C ATOM 353 O HIS A 25 3.084 -5.084 5.659 1.00 0.43 O ATOM 354 CB HIS A 25 0.886 -7.056 5.573 1.00 0.42 C ATOM 355 CG HIS A 25 1.491 -8.252 4.900 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.153 -9.549 5.226 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.398 -8.345 3.896 1.00 1.39 C ATOM 358 CE1 HIS A 25 1.825 -10.385 4.456 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.584 -9.681 3.640 1.00 1.44 N ATOM 0 H HIS A 25 0.994 -4.629 7.148 1.00 0.29 H new ATOM 0 HA HIS A 25 1.775 -7.445 7.488 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.145 -7.289 5.840 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.852 -6.233 4.860 1.00 0.42 H new ATOM 0 HD2 HIS A 25 2.883 -7.522 3.392 1.00 1.39 H new ATOM 0 HE1 HIS A 25 1.763 -11.463 4.489 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.209 -10.067 2.932 1.00 1.44 H new ATOM 368 N GLN A 26 4.040 -6.534 7.070 1.00 0.36 N ATOM 369 CA GLN A 26 5.387 -6.021 6.847 1.00 0.38 C ATOM 370 C GLN A 26 6.089 -6.774 5.721 1.00 0.33 C ATOM 371 O GLN A 26 5.924 -7.985 5.576 1.00 0.47 O ATOM 372 CB GLN A 26 6.212 -6.113 8.137 1.00 0.54 C ATOM 373 CG GLN A 26 7.679 -5.749 7.957 1.00 0.67 C ATOM 374 CD GLN A 26 8.468 -5.794 9.252 1.00 1.12 C ATOM 375 OE1 GLN A 26 7.942 -5.511 10.332 1.00 1.84 O ATOM 376 NE2 GLN A 26 9.731 -6.180 9.157 1.00 1.59 N ATOM 0 H GLN A 26 3.989 -7.318 7.720 1.00 0.36 H new ATOM 0 HA GLN A 26 5.301 -4.975 6.552 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.773 -5.453 8.885 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.145 -7.128 8.528 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.131 -6.433 7.239 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.749 -4.748 7.531 1.00 0.67 H new ATOM 0 HE21 GLN A 26 10.128 -6.405 8.245 1.00 1.59 H new ATOM 0 HE22 GLN A 26 10.307 -6.252 9.996 1.00 1.59 H new ATOM 385 N VAL A 27 6.858 -6.046 4.925 1.00 0.29 N ATOM 386 CA VAL A 27 7.665 -6.645 3.878 1.00 0.29 C ATOM 387 C VAL A 27 9.054 -6.006 3.878 1.00 0.28 C ATOM 388 O VAL A 27 9.200 -4.811 4.157 1.00 0.31 O ATOM 389 CB VAL A 27 6.995 -6.507 2.485 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.788 -5.048 2.119 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.805 -7.223 1.412 1.00 0.44 C ATOM 0 H VAL A 27 6.939 -5.031 4.987 1.00 0.29 H new ATOM 0 HA VAL A 27 7.757 -7.712 4.082 1.00 0.29 H new ATOM 0 HB VAL A 27 6.016 -6.983 2.542 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.317 -4.982 1.138 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.147 -4.574 2.862 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.752 -4.539 2.094 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.311 -7.109 0.447 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.804 -6.791 1.362 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.880 -8.282 1.659 1.00 0.44 H new ATOM 401 N ALA A 28 10.071 -6.806 3.611 1.00 0.31 N ATOM 402 CA ALA A 28 11.441 -6.330 3.643 1.00 0.33 C ATOM 403 C ALA A 28 12.050 -6.333 2.247 1.00 0.28 C ATOM 404 O ALA A 28 11.789 -7.234 1.447 1.00 0.29 O ATOM 405 CB ALA A 28 12.263 -7.185 4.590 1.00 0.41 C ATOM 0 H ALA A 28 9.972 -7.792 3.369 1.00 0.31 H new ATOM 0 HA ALA A 28 11.444 -5.302 4.005 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.291 -6.822 4.609 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.839 -7.128 5.593 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.250 -8.220 4.249 1.00 0.41 H new ATOM 411 N LEU A 29 12.863 -5.320 1.963 1.00 0.28 N ATOM 412 CA LEU A 29 13.471 -5.167 0.648 1.00 0.28 C ATOM 413 C LEU A 29 14.671 -6.094 0.488 1.00 0.32 C ATOM 414 O LEU A 29 15.396 -6.358 1.451 1.00 0.36 O ATOM 415 CB LEU A 29 13.910 -3.718 0.420 1.00 0.35 C ATOM 416 CG LEU A 29 12.822 -2.662 0.606 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.300 -1.327 0.089 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.548 -3.059 -0.100 1.00 1.04 C ATOM 0 H LEU A 29 13.116 -4.591 2.630 1.00 0.28 H new ATOM 0 HA LEU A 29 12.719 -5.434 -0.095 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.730 -3.494 1.103 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.306 -3.632 -0.592 1.00 0.35 H new ATOM 0 HG LEU A 29 12.610 -2.582 1.672 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.516 -0.582 0.227 1.00 1.13 H new ATOM 0 HD12 LEU A 29 14.191 -1.022 0.638 1.00 1.13 H new ATOM 0 HD13 LEU A 29 13.538 -1.412 -0.971 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.793 -2.288 0.051 1.00 1.04 H new ATOM 0 HD22 LEU A 29 11.743 -3.172 -1.166 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.187 -4.004 0.305 1.00 1.04 H new ATOM 430 N PRO A 30 14.887 -6.593 -0.738 1.00 0.38 N ATOM 431 CA PRO A 30 15.996 -7.504 -1.056 1.00 0.53 C ATOM 432 C PRO A 30 17.372 -6.898 -0.774 1.00 0.76 C ATOM 433 O PRO A 30 18.270 -7.581 -0.281 1.00 1.64 O ATOM 434 CB PRO A 30 15.827 -7.758 -2.559 1.00 0.52 C ATOM 435 CG PRO A 30 14.396 -7.463 -2.831 1.00 0.51 C ATOM 436 CD PRO A 30 14.048 -6.328 -1.918 1.00 0.41 C ATOM 0 HA PRO A 30 15.959 -8.404 -0.443 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.483 -7.115 -3.146 1.00 0.52 H new ATOM 0 HB3 PRO A 30 16.076 -8.787 -2.817 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.242 -7.190 -3.875 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.770 -8.333 -2.633 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.276 -5.362 -2.368 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.987 -6.321 -1.667 1.00 0.41 H new ATOM 444 N GLY A 31 17.532 -5.616 -1.079 1.00 0.79 N ATOM 445 CA GLY A 31 18.825 -4.977 -0.923 1.00 0.88 C ATOM 446 C GLY A 31 19.477 -4.721 -2.259 1.00 1.01 C ATOM 447 O GLY A 31 20.698 -4.590 -2.352 1.00 1.64 O ATOM 0 H GLY A 31 16.792 -5.009 -1.431 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.705 -4.035 -0.389 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.473 -5.608 -0.315 1.00 0.88 H new ATOM 451 N GLN A 32 18.641 -4.651 -3.283 1.00 1.08 N ATOM 452 CA GLN A 32 19.069 -4.443 -4.650 1.00 1.37 C ATOM 453 C GLN A 32 17.840 -4.283 -5.538 1.00 1.07 C ATOM 454 O GLN A 32 16.908 -5.093 -5.464 1.00 1.59 O ATOM 455 CB GLN A 32 19.932 -5.612 -5.133 1.00 2.00 C ATOM 456 CG GLN A 32 19.277 -6.977 -4.983 1.00 2.66 C ATOM 457 CD GLN A 32 20.189 -8.107 -5.417 1.00 3.34 C ATOM 458 OE1 GLN A 32 21.044 -7.932 -6.280 1.00 3.88 O ATOM 459 NE2 GLN A 32 20.003 -9.278 -4.830 1.00 3.82 N ATOM 0 H GLN A 32 17.630 -4.739 -3.182 1.00 1.08 H new ATOM 0 HA GLN A 32 19.676 -3.539 -4.702 1.00 1.37 H new ATOM 0 HB2 GLN A 32 20.182 -5.455 -6.182 1.00 2.00 H new ATOM 0 HB3 GLN A 32 20.870 -5.609 -4.578 1.00 2.00 H new ATOM 0 HG2 GLN A 32 18.988 -7.126 -3.942 1.00 2.66 H new ATOM 0 HG3 GLN A 32 18.362 -7.005 -5.575 1.00 2.66 H new ATOM 0 HE21 GLN A 32 19.281 -9.382 -4.117 1.00 3.82 H new ATOM 0 HE22 GLN A 32 20.581 -10.077 -5.091 1.00 3.82 H new ATOM 468 N GLU A 33 17.836 -3.219 -6.342 1.00 0.97 N ATOM 469 CA GLU A 33 16.730 -2.885 -7.242 1.00 0.88 C ATOM 470 C GLU A 33 15.496 -2.384 -6.485 1.00 0.88 C ATOM 471 O GLU A 33 14.935 -1.344 -6.830 1.00 1.63 O ATOM 472 CB GLU A 33 16.371 -4.085 -8.113 1.00 1.23 C ATOM 473 CG GLU A 33 17.442 -4.437 -9.129 1.00 1.72 C ATOM 474 CD GLU A 33 17.807 -3.262 -10.005 1.00 2.31 C ATOM 475 OE1 GLU A 33 17.174 -3.087 -11.065 1.00 2.65 O ATOM 476 OE2 GLU A 33 18.730 -2.507 -9.639 1.00 3.02 O ATOM 0 H GLU A 33 18.610 -2.556 -6.387 1.00 0.97 H new ATOM 0 HA GLU A 33 17.069 -2.069 -7.880 1.00 0.88 H new ATOM 0 HB2 GLU A 33 16.191 -4.948 -7.472 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.438 -3.877 -8.637 1.00 1.23 H new ATOM 0 HG2 GLU A 33 18.332 -4.790 -8.608 1.00 1.72 H new ATOM 0 HG3 GLU A 33 17.091 -5.259 -9.754 1.00 1.72 H new ATOM 483 N GLU A 34 15.103 -3.124 -5.451 1.00 0.54 N ATOM 484 CA GLU A 34 13.918 -2.817 -4.651 1.00 0.56 C ATOM 485 C GLU A 34 12.660 -2.836 -5.509 1.00 0.48 C ATOM 486 O GLU A 34 12.196 -1.804 -5.991 1.00 0.58 O ATOM 487 CB GLU A 34 14.065 -1.479 -3.915 1.00 0.72 C ATOM 488 CG GLU A 34 14.968 -1.545 -2.686 1.00 0.96 C ATOM 489 CD GLU A 34 16.211 -2.392 -2.876 1.00 1.55 C ATOM 490 OE1 GLU A 34 17.221 -1.867 -3.405 1.00 1.97 O ATOM 491 OE2 GLU A 34 16.184 -3.585 -2.504 1.00 2.31 O ATOM 0 H GLU A 34 15.600 -3.959 -5.142 1.00 0.54 H new ATOM 0 HA GLU A 34 13.822 -3.596 -3.895 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.463 -0.737 -4.607 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.077 -1.133 -3.610 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.269 -0.533 -2.415 1.00 0.96 H new ATOM 0 HG3 GLU A 34 14.395 -1.943 -1.848 1.00 0.96 H new ATOM 498 N PRO A 35 12.096 -4.035 -5.713 1.00 0.41 N ATOM 499 CA PRO A 35 10.918 -4.226 -6.546 1.00 0.40 C ATOM 500 C PRO A 35 9.633 -4.128 -5.741 1.00 0.35 C ATOM 501 O PRO A 35 8.554 -4.474 -6.221 1.00 0.39 O ATOM 502 CB PRO A 35 11.115 -5.650 -7.047 1.00 0.48 C ATOM 503 CG PRO A 35 11.793 -6.359 -5.917 1.00 0.50 C ATOM 504 CD PRO A 35 12.561 -5.313 -5.141 1.00 0.46 C ATOM 0 HA PRO A 35 10.823 -3.475 -7.331 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.162 -6.118 -7.294 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.724 -5.671 -7.951 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.062 -6.855 -5.278 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.464 -7.131 -6.293 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.350 -5.373 -4.073 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.637 -5.436 -5.261 1.00 0.46 H new ATOM 512 N TRP A 36 9.759 -3.660 -4.513 1.00 0.30 N ATOM 513 CA TRP A 36 8.632 -3.607 -3.597 1.00 0.27 C ATOM 514 C TRP A 36 7.967 -2.240 -3.622 1.00 0.24 C ATOM 515 O TRP A 36 7.422 -1.793 -2.613 1.00 0.25 O ATOM 516 CB TRP A 36 9.079 -3.967 -2.172 1.00 0.28 C ATOM 517 CG TRP A 36 9.502 -5.405 -2.018 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.374 -5.896 -1.094 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.079 -6.536 -2.803 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.524 -7.251 -1.247 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.739 -7.669 -2.287 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.206 -6.707 -3.883 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.558 -8.945 -2.818 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.029 -7.973 -4.407 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.700 -9.078 -3.872 1.00 0.42 C ATOM 0 H TRP A 36 10.634 -3.309 -4.124 1.00 0.30 H new ATOM 0 HA TRP A 36 7.897 -4.342 -3.925 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.909 -3.320 -1.886 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.262 -3.761 -1.481 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.877 -5.302 -0.346 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.123 -7.849 -0.678 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.679 -5.862 -4.301 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.078 -9.799 -2.410 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.361 -8.112 -5.244 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.536 -10.055 -4.301 1.00 0.42 H new ATOM 536 N ASP A 37 8.005 -1.586 -4.781 1.00 0.24 N ATOM 537 CA ASP A 37 7.347 -0.296 -4.951 1.00 0.21 C ATOM 538 C ASP A 37 5.875 -0.428 -4.595 1.00 0.21 C ATOM 539 O ASP A 37 5.297 -1.515 -4.714 1.00 0.24 O ATOM 540 CB ASP A 37 7.468 0.231 -6.390 1.00 0.25 C ATOM 541 CG ASP A 37 8.812 -0.043 -7.031 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.141 -1.233 -7.234 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.528 0.927 -7.364 1.00 1.21 O ATOM 0 H ASP A 37 8.484 -1.929 -5.614 1.00 0.24 H new ATOM 0 HA ASP A 37 7.842 0.415 -4.289 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.686 -0.222 -7.000 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.289 1.306 -6.389 1.00 0.25 H new ATOM 548 N ILE A 38 5.272 0.675 -4.181 1.00 0.20 N ATOM 549 CA ILE A 38 3.903 0.667 -3.681 1.00 0.20 C ATOM 550 C ILE A 38 2.949 0.015 -4.685 1.00 0.20 C ATOM 551 O ILE A 38 2.055 -0.732 -4.300 1.00 0.23 O ATOM 552 CB ILE A 38 3.413 2.099 -3.349 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.472 2.853 -2.530 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.091 2.051 -2.592 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.892 2.156 -1.251 1.00 0.24 C ATOM 0 H ILE A 38 5.712 1.595 -4.181 1.00 0.20 H new ATOM 0 HA ILE A 38 3.903 0.078 -2.764 1.00 0.20 H new ATOM 0 HB ILE A 38 3.254 2.633 -4.286 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.354 3.005 -3.152 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.084 3.841 -2.280 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.763 3.066 -2.368 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.339 1.554 -3.204 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.224 1.499 -1.662 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.641 2.758 -0.738 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.024 2.028 -0.604 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.313 1.180 -1.490 1.00 0.24 H new ATOM 567 N ARG A 39 3.171 0.274 -5.973 1.00 0.19 N ATOM 568 CA ARG A 39 2.329 -0.290 -7.025 1.00 0.20 C ATOM 569 C ARG A 39 2.385 -1.825 -7.038 1.00 0.19 C ATOM 570 O ARG A 39 1.361 -2.481 -7.203 1.00 0.25 O ATOM 571 CB ARG A 39 2.724 0.287 -8.394 1.00 0.31 C ATOM 572 CG ARG A 39 4.184 0.086 -8.766 1.00 0.99 C ATOM 573 CD ARG A 39 4.389 -1.164 -9.605 1.00 1.11 C ATOM 574 NE ARG A 39 3.869 -1.011 -10.963 1.00 1.63 N ATOM 575 CZ ARG A 39 4.061 -1.897 -11.938 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.722 -3.024 -11.703 1.00 2.03 N ATOM 577 NH2 ARG A 39 3.568 -1.662 -13.146 1.00 2.62 N ATOM 0 H ARG A 39 3.926 0.870 -6.312 1.00 0.19 H new ATOM 0 HA ARG A 39 1.298 -0.008 -6.813 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.100 -0.172 -9.161 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.504 1.355 -8.401 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.541 0.956 -9.318 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.783 0.016 -7.858 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.452 -1.399 -9.650 1.00 1.11 H new ATOM 0 HD3 ARG A 39 3.896 -2.008 -9.122 1.00 1.11 H new ATOM 0 HE ARG A 39 3.326 -0.174 -11.176 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.087 -3.216 -10.770 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.865 -3.698 -12.455 1.00 2.03 H new ATOM 0 HH21 ARG A 39 3.044 -0.805 -13.325 1.00 2.62 H new ATOM 0 HH22 ARG A 39 3.713 -2.338 -13.896 1.00 2.62 H new ATOM 591 N ASN A 40 3.574 -2.395 -6.836 1.00 0.17 N ATOM 592 CA ASN A 40 3.745 -3.849 -6.864 1.00 0.18 C ATOM 593 C ASN A 40 3.095 -4.493 -5.653 1.00 0.18 C ATOM 594 O ASN A 40 2.466 -5.551 -5.752 1.00 0.22 O ATOM 595 CB ASN A 40 5.230 -4.204 -6.906 1.00 0.22 C ATOM 596 CG ASN A 40 5.863 -3.877 -8.239 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.315 -4.190 -9.295 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.990 -3.193 -8.203 1.00 0.59 N ATOM 0 H ASN A 40 4.431 -1.874 -6.652 1.00 0.17 H new ATOM 0 HA ASN A 40 3.259 -4.231 -7.762 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.752 -3.664 -6.116 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.353 -5.267 -6.700 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.439 -2.904 -9.072 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.413 -2.953 -7.306 1.00 0.59 H new ATOM 605 N LEU A 41 3.246 -3.843 -4.512 1.00 0.18 N ATOM 606 CA LEU A 41 2.656 -4.318 -3.269 1.00 0.19 C ATOM 607 C LEU A 41 1.153 -4.177 -3.316 1.00 0.19 C ATOM 608 O LEU A 41 0.418 -4.991 -2.765 1.00 0.21 O ATOM 609 CB LEU A 41 3.225 -3.534 -2.092 1.00 0.21 C ATOM 610 CG LEU A 41 4.504 -4.111 -1.505 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.194 -5.413 -0.789 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.532 -4.359 -2.595 1.00 0.29 C ATOM 0 H LEU A 41 3.777 -2.977 -4.419 1.00 0.18 H new ATOM 0 HA LEU A 41 2.901 -5.373 -3.141 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.418 -2.511 -2.414 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.471 -3.485 -1.307 1.00 0.21 H new ATOM 0 HG LEU A 41 4.917 -3.392 -0.797 1.00 0.26 H new ATOM 0 HD11 LEU A 41 5.112 -5.825 -0.369 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.480 -5.226 0.013 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.767 -6.124 -1.496 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.439 -4.772 -2.153 1.00 0.29 H new ATOM 0 HD22 LEU A 41 5.129 -5.065 -3.321 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.767 -3.419 -3.094 1.00 0.29 H new ATOM 624 N LEU A 42 0.715 -3.139 -3.991 1.00 0.19 N ATOM 625 CA LEU A 42 -0.692 -2.878 -4.189 1.00 0.23 C ATOM 626 C LEU A 42 -1.322 -4.017 -4.983 1.00 0.21 C ATOM 627 O LEU A 42 -2.429 -4.463 -4.687 1.00 0.26 O ATOM 628 CB LEU A 42 -0.826 -1.547 -4.917 1.00 0.30 C ATOM 629 CG LEU A 42 -2.190 -0.891 -4.874 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.008 0.612 -4.886 1.00 0.91 C ATOM 631 CD2 LEU A 42 -3.031 -1.339 -6.057 1.00 0.82 C ATOM 0 H LEU A 42 1.329 -2.447 -4.421 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.216 -2.818 -3.235 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.099 -0.852 -4.496 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.553 -1.700 -5.961 1.00 0.30 H new ATOM 0 HG LEU A 42 -2.712 -1.186 -3.964 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -2.984 1.097 -4.855 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -1.425 0.915 -4.016 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.484 0.908 -5.795 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -4.008 -0.859 -6.011 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -2.532 -1.059 -6.985 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -3.157 -2.421 -6.025 1.00 0.82 H new ATOM 643 N VAL A 43 -0.585 -4.502 -5.975 1.00 0.20 N ATOM 644 CA VAL A 43 -1.003 -5.654 -6.764 1.00 0.22 C ATOM 645 C VAL A 43 -0.998 -6.894 -5.901 1.00 0.22 C ATOM 646 O VAL A 43 -1.936 -7.685 -5.934 1.00 0.24 O ATOM 647 CB VAL A 43 -0.062 -5.890 -7.962 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.499 -7.101 -8.768 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.008 -4.657 -8.839 1.00 0.32 C ATOM 0 H VAL A 43 0.314 -4.110 -6.254 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.006 -5.450 -7.138 1.00 0.22 H new ATOM 0 HB VAL A 43 0.936 -6.089 -7.572 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.182 -7.245 -9.607 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.483 -7.986 -8.132 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.510 -6.942 -9.144 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.677 -4.845 -9.678 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.988 -4.421 -9.215 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.385 -3.817 -8.256 1.00 0.32 H new ATOM 659 N TRP A 44 0.067 -7.052 -5.129 1.00 0.23 N ATOM 660 CA TRP A 44 0.180 -8.162 -4.206 1.00 0.27 C ATOM 661 C TRP A 44 -1.031 -8.185 -3.281 1.00 0.28 C ATOM 662 O TRP A 44 -1.650 -9.225 -3.066 1.00 0.33 O ATOM 663 CB TRP A 44 1.467 -8.041 -3.387 1.00 0.31 C ATOM 664 CG TRP A 44 1.692 -9.206 -2.477 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.321 -9.311 -1.169 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.338 -10.437 -2.814 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.691 -10.537 -0.673 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.318 -11.246 -1.665 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.926 -10.932 -3.980 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.869 -12.523 -1.647 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.471 -12.199 -3.962 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.438 -12.983 -2.804 1.00 0.85 C ATOM 0 H TRP A 44 0.867 -6.420 -5.127 1.00 0.23 H new ATOM 0 HA TRP A 44 0.215 -9.093 -4.772 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.315 -7.948 -4.065 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.430 -7.126 -2.795 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.811 -8.543 -0.606 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.526 -10.866 0.278 1.00 0.56 H new ATOM 0 HE3 TRP A 44 2.953 -10.334 -4.879 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.849 -13.129 -0.753 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 3.931 -12.592 -4.857 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.871 -13.972 -2.823 1.00 0.85 H new ATOM 683 N ILE A 45 -1.380 -7.014 -2.768 1.00 0.26 N ATOM 684 CA ILE A 45 -2.543 -6.867 -1.909 1.00 0.29 C ATOM 685 C ILE A 45 -3.822 -7.197 -2.676 1.00 0.31 C ATOM 686 O ILE A 45 -4.683 -7.927 -2.188 1.00 0.37 O ATOM 687 CB ILE A 45 -2.624 -5.437 -1.327 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.529 -5.235 -0.274 1.00 0.36 C ATOM 689 CG2 ILE A 45 -3.998 -5.165 -0.735 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.455 -3.819 0.267 1.00 0.47 C ATOM 0 H ILE A 45 -0.869 -6.147 -2.934 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.440 -7.569 -1.081 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.466 -4.726 -2.138 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.703 -5.922 0.554 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.565 -5.499 -0.710 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.027 -4.152 -0.333 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.756 -5.269 -1.512 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.198 -5.879 0.064 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.657 -3.753 1.007 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.250 -3.128 -0.550 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.405 -3.558 0.733 1.00 0.47 H new ATOM 702 N LYS A 46 -3.922 -6.680 -3.887 1.00 0.29 N ATOM 703 CA LYS A 46 -5.088 -6.899 -4.722 1.00 0.35 C ATOM 704 C LYS A 46 -5.287 -8.374 -5.065 1.00 0.39 C ATOM 705 O LYS A 46 -6.325 -8.954 -4.750 1.00 0.44 O ATOM 706 CB LYS A 46 -4.958 -6.087 -6.009 1.00 0.39 C ATOM 707 CG LYS A 46 -5.418 -4.644 -5.878 1.00 0.91 C ATOM 708 CD LYS A 46 -5.539 -3.978 -7.240 1.00 0.91 C ATOM 709 CE LYS A 46 -6.518 -4.731 -8.130 1.00 1.26 C ATOM 710 NZ LYS A 46 -6.713 -4.073 -9.445 1.00 1.93 N ATOM 0 H LYS A 46 -3.202 -6.100 -4.317 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.961 -6.573 -4.156 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -3.916 -6.098 -6.330 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -5.538 -6.573 -6.793 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.381 -4.612 -5.368 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -4.711 -4.089 -5.261 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.873 -2.948 -7.117 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.561 -3.941 -7.719 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.155 -5.747 -8.286 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.479 -4.811 -7.621 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -7.388 -4.625 -10.013 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.086 -3.113 -9.301 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -5.803 -4.020 -9.945 1.00 1.93 H new ATOM 724 N LYS A 47 -4.283 -8.985 -5.672 1.00 0.41 N ATOM 725 CA LYS A 47 -4.428 -10.342 -6.200 1.00 0.52 C ATOM 726 C LYS A 47 -4.402 -11.406 -5.102 1.00 0.57 C ATOM 727 O LYS A 47 -5.071 -12.433 -5.213 1.00 0.78 O ATOM 728 CB LYS A 47 -3.348 -10.648 -7.247 1.00 0.65 C ATOM 729 CG LYS A 47 -1.921 -10.555 -6.727 1.00 1.31 C ATOM 730 CD LYS A 47 -0.913 -10.907 -7.810 1.00 1.66 C ATOM 731 CE LYS A 47 0.516 -10.655 -7.352 1.00 2.33 C ATOM 732 NZ LYS A 47 1.509 -11.100 -8.366 1.00 2.96 N ATOM 0 H LYS A 47 -3.362 -8.570 -5.814 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.408 -10.381 -6.675 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.514 -11.651 -7.639 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.463 -9.957 -8.082 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -1.729 -9.545 -6.364 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.796 -11.228 -5.879 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.027 -11.955 -8.087 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -1.118 -10.317 -8.704 1.00 1.66 H new ATOM 0 HE2 LYS A 47 0.652 -9.592 -7.153 1.00 2.33 H new ATOM 0 HE3 LYS A 47 0.695 -11.180 -6.414 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 2.470 -10.911 -8.017 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 1.397 -12.120 -8.538 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 1.355 -10.581 -9.254 1.00 2.96 H new ATOM 746 N ASN A 48 -3.647 -11.163 -4.045 1.00 0.50 N ATOM 747 CA ASN A 48 -3.447 -12.179 -3.017 1.00 0.58 C ATOM 748 C ASN A 48 -4.357 -11.955 -1.815 1.00 0.58 C ATOM 749 O ASN A 48 -4.916 -12.904 -1.262 1.00 0.77 O ATOM 750 CB ASN A 48 -1.983 -12.183 -2.563 1.00 0.61 C ATOM 751 CG ASN A 48 -1.651 -13.300 -1.590 1.00 1.41 C ATOM 752 OD1 ASN A 48 -2.238 -14.468 -1.792 1.00 2.21 O flip ATOM 753 ND2 ASN A 48 -0.841 -13.122 -0.681 1.00 2.09 N flip ATOM 0 H ASN A 48 -3.165 -10.281 -3.873 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.701 -13.145 -3.454 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.340 -12.272 -3.439 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.754 -11.225 -2.096 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -0.408 -12.207 -0.556 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -0.602 -13.889 -0.053 1.00 2.09 H new ATOM 760 N LEU A 49 -4.530 -10.701 -1.426 1.00 0.42 N ATOM 761 CA LEU A 49 -5.145 -10.392 -0.141 1.00 0.44 C ATOM 762 C LEU A 49 -6.628 -10.022 -0.265 1.00 0.39 C ATOM 763 O LEU A 49 -7.401 -10.272 0.662 1.00 0.39 O ATOM 764 CB LEU A 49 -4.362 -9.259 0.530 1.00 0.50 C ATOM 765 CG LEU A 49 -4.687 -9.010 2.003 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.336 -10.228 2.839 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.941 -7.783 2.505 1.00 1.10 C ATOM 0 H LEU A 49 -4.256 -9.886 -1.975 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.105 -11.292 0.473 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.298 -9.477 0.444 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.545 -8.338 -0.024 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.758 -8.828 2.098 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.574 -10.033 3.885 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.910 -11.086 2.490 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.271 -10.441 2.743 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.181 -7.616 3.555 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.868 -7.941 2.398 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.239 -6.912 1.922 1.00 1.10 H new ATOM 779 N LEU A 50 -7.032 -9.440 -1.397 1.00 0.39 N ATOM 780 CA LEU A 50 -8.413 -8.973 -1.563 1.00 0.39 C ATOM 781 C LEU A 50 -9.400 -10.130 -1.429 1.00 0.41 C ATOM 782 O LEU A 50 -9.381 -11.068 -2.228 1.00 0.50 O ATOM 783 CB LEU A 50 -8.598 -8.311 -2.935 1.00 0.47 C ATOM 784 CG LEU A 50 -9.304 -6.948 -2.944 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.495 -6.932 -1.997 1.00 0.51 C ATOM 786 CD2 LEU A 50 -8.328 -5.840 -2.602 1.00 0.62 C ATOM 0 H LEU A 50 -6.430 -9.281 -2.205 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.610 -8.243 -0.778 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.616 -8.190 -3.392 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.163 -8.993 -3.570 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.683 -6.775 -3.951 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -10.972 -5.952 -2.028 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.212 -7.694 -2.301 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.156 -7.138 -0.982 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -8.847 -4.882 -2.613 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -7.912 -6.015 -1.610 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -7.523 -5.825 -3.336 1.00 0.62 H new ATOM 798 N LYS A 51 -10.253 -10.066 -0.413 1.00 0.40 N ATOM 799 CA LYS A 51 -11.276 -11.081 -0.214 1.00 0.47 C ATOM 800 C LYS A 51 -12.439 -10.864 -1.174 1.00 0.52 C ATOM 801 O LYS A 51 -13.038 -11.820 -1.667 1.00 0.63 O ATOM 802 CB LYS A 51 -11.786 -11.052 1.228 1.00 0.52 C ATOM 803 CG LYS A 51 -10.743 -11.441 2.263 1.00 0.57 C ATOM 804 CD LYS A 51 -10.436 -12.931 2.221 1.00 1.08 C ATOM 805 CE LYS A 51 -9.611 -13.360 3.425 1.00 1.81 C ATOM 806 NZ LYS A 51 -9.340 -14.821 3.430 1.00 2.26 N ATOM 0 H LYS A 51 -10.255 -9.322 0.284 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.830 -12.055 -0.413 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.150 -10.049 1.453 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.638 -11.727 1.315 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.828 -10.876 2.087 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -11.099 -11.171 3.257 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -11.368 -13.496 2.196 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.896 -13.167 1.304 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.666 -12.817 3.427 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -10.137 -13.087 4.340 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -8.775 -15.066 4.268 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -10.240 -15.341 3.455 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -8.814 -15.080 2.571 1.00 2.26 H new ATOM 820 N GLU A 52 -12.752 -9.602 -1.443 1.00 0.52 N ATOM 821 CA GLU A 52 -13.869 -9.270 -2.314 1.00 0.59 C ATOM 822 C GLU A 52 -13.389 -8.630 -3.614 1.00 0.58 C ATOM 823 O GLU A 52 -12.238 -8.807 -4.015 1.00 0.72 O ATOM 824 CB GLU A 52 -14.856 -8.350 -1.594 1.00 0.66 C ATOM 825 CG GLU A 52 -14.261 -7.043 -1.093 1.00 0.64 C ATOM 826 CD GLU A 52 -15.323 -6.141 -0.506 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.709 -6.355 0.659 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.762 -5.197 -1.203 1.00 1.15 O ATOM 0 H GLU A 52 -12.249 -8.796 -1.071 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.381 -10.198 -2.569 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.679 -8.122 -2.271 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.281 -8.888 -0.746 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.502 -7.253 -0.339 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.761 -6.531 -1.915 1.00 0.64 H new ATOM 835 N ARG A 53 -14.279 -7.894 -4.269 1.00 0.65 N ATOM 836 CA ARG A 53 -13.983 -7.298 -5.563 1.00 0.68 C ATOM 837 C ARG A 53 -13.132 -6.039 -5.398 1.00 0.59 C ATOM 838 O ARG A 53 -13.541 -5.082 -4.739 1.00 0.65 O ATOM 839 CB ARG A 53 -15.272 -6.951 -6.327 1.00 0.87 C ATOM 840 CG ARG A 53 -16.171 -8.145 -6.656 1.00 1.34 C ATOM 841 CD ARG A 53 -16.956 -8.621 -5.442 1.00 1.78 C ATOM 842 NE ARG A 53 -17.720 -7.535 -4.829 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.068 -7.496 -3.541 1.00 3.32 C ATOM 844 NH1 ARG A 53 -17.824 -8.534 -2.745 1.00 3.80 N ATOM 845 NH2 ARG A 53 -18.702 -6.438 -3.059 1.00 4.10 N ATOM 0 H ARG A 53 -15.217 -7.696 -3.921 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.424 -8.035 -6.140 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.845 -6.236 -5.737 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.002 -6.452 -7.258 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -16.864 -7.868 -7.450 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -15.561 -8.964 -7.037 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -17.635 -9.420 -5.739 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -16.269 -9.042 -4.708 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.005 -6.757 -5.424 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -17.368 -9.367 -3.118 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -18.093 -8.497 -1.762 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -18.924 -5.654 -3.672 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -18.968 -6.408 -2.075 1.00 4.10 H new ATOM 859 N PRO A 54 -11.937 -6.025 -6.014 1.00 0.55 N ATOM 860 CA PRO A 54 -11.007 -4.883 -5.952 1.00 0.53 C ATOM 861 C PRO A 54 -11.570 -3.624 -6.609 1.00 0.57 C ATOM 862 O PRO A 54 -10.972 -2.553 -6.538 1.00 0.59 O ATOM 863 CB PRO A 54 -9.785 -5.367 -6.736 1.00 0.61 C ATOM 864 CG PRO A 54 -9.909 -6.851 -6.782 1.00 0.68 C ATOM 865 CD PRO A 54 -11.382 -7.134 -6.806 1.00 0.65 C ATOM 0 HA PRO A 54 -10.796 -4.603 -4.920 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.768 -4.943 -7.740 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -8.859 -5.065 -6.247 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.418 -7.258 -7.666 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.436 -7.311 -5.914 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -11.776 -7.143 -7.822 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.615 -8.103 -6.365 1.00 0.65 H new ATOM 873 N GLU A 55 -12.724 -3.760 -7.243 1.00 0.64 N ATOM 874 CA GLU A 55 -13.373 -2.646 -7.918 1.00 0.75 C ATOM 875 C GLU A 55 -13.940 -1.648 -6.909 1.00 0.69 C ATOM 876 O GLU A 55 -14.253 -0.508 -7.255 1.00 0.80 O ATOM 877 CB GLU A 55 -14.472 -3.176 -8.839 1.00 0.92 C ATOM 878 CG GLU A 55 -13.945 -4.158 -9.872 1.00 1.39 C ATOM 879 CD GLU A 55 -15.037 -4.783 -10.707 1.00 1.89 C ATOM 880 OE1 GLU A 55 -15.609 -5.809 -10.282 1.00 2.43 O ATOM 881 OE2 GLU A 55 -15.349 -4.237 -11.782 1.00 2.27 O ATOM 0 H GLU A 55 -13.235 -4.640 -7.304 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.632 -2.118 -8.518 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.240 -3.663 -8.239 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -14.949 -2.339 -9.349 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -13.243 -3.644 -10.529 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -13.388 -4.946 -9.365 1.00 1.39 H new ATOM 888 N LEU A 56 -14.076 -2.087 -5.660 1.00 0.64 N ATOM 889 CA LEU A 56 -14.462 -1.200 -4.566 1.00 0.68 C ATOM 890 C LEU A 56 -13.214 -0.727 -3.842 1.00 0.59 C ATOM 891 O LEU A 56 -13.254 0.167 -2.996 1.00 0.69 O ATOM 892 CB LEU A 56 -15.402 -1.907 -3.581 1.00 0.81 C ATOM 893 CG LEU A 56 -16.826 -2.149 -4.085 1.00 1.09 C ATOM 894 CD1 LEU A 56 -16.828 -3.111 -5.257 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.699 -2.675 -2.959 1.00 2.05 C ATOM 0 H LEU A 56 -13.924 -3.056 -5.380 1.00 0.64 H new ATOM 0 HA LEU A 56 -14.996 -0.346 -4.983 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -14.962 -2.868 -3.313 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.455 -1.314 -2.668 1.00 0.81 H new ATOM 0 HG LEU A 56 -17.236 -1.199 -4.429 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -17.852 -3.267 -5.598 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -16.234 -2.694 -6.071 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -16.400 -4.064 -4.946 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.710 -2.843 -3.331 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.288 -3.614 -2.588 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -17.727 -1.946 -2.149 1.00 2.05 H new ATOM 907 N PHE A 57 -12.104 -1.338 -4.209 1.00 0.47 N ATOM 908 CA PHE A 57 -10.810 -1.009 -3.658 1.00 0.41 C ATOM 909 C PHE A 57 -10.121 0.000 -4.591 1.00 0.37 C ATOM 910 O PHE A 57 -10.752 0.546 -5.503 1.00 0.37 O ATOM 911 CB PHE A 57 -10.006 -2.318 -3.494 1.00 0.38 C ATOM 912 CG PHE A 57 -8.687 -2.206 -2.773 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.618 -1.687 -1.491 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.517 -2.642 -3.376 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.409 -1.599 -0.827 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.307 -2.560 -2.716 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.252 -2.039 -1.439 1.00 0.35 C ATOM 0 H PHE A 57 -12.078 -2.083 -4.905 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.891 -0.543 -2.676 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.628 -3.037 -2.960 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -9.820 -2.732 -4.485 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.520 -1.347 -1.004 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.553 -3.051 -4.375 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.369 -1.186 0.170 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.404 -2.903 -3.199 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.307 -1.976 -0.920 1.00 0.35 H new ATOM 927 N ILE A 58 -8.852 0.245 -4.354 1.00 0.36 N ATOM 928 CA ILE A 58 -8.089 1.247 -5.084 1.00 0.36 C ATOM 929 C ILE A 58 -7.613 0.751 -6.451 1.00 0.30 C ATOM 930 O ILE A 58 -7.642 -0.447 -6.741 1.00 0.30 O ATOM 931 CB ILE A 58 -6.884 1.699 -4.252 1.00 0.45 C ATOM 932 CG1 ILE A 58 -5.978 0.515 -3.953 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.355 2.348 -2.966 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.819 0.851 -3.045 1.00 0.90 C ATOM 0 H ILE A 58 -8.310 -0.247 -3.644 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.760 2.087 -5.261 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.314 2.432 -4.823 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.570 -0.277 -3.494 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.590 0.120 -4.892 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.492 2.666 -2.381 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.973 3.214 -3.201 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.939 1.631 -2.389 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.218 -0.042 -2.877 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.203 1.621 -3.511 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.198 1.218 -2.091 1.00 0.90 H new ATOM 946 N GLN A 59 -7.205 1.706 -7.287 1.00 0.31 N ATOM 947 CA GLN A 59 -6.769 1.440 -8.656 1.00 0.30 C ATOM 948 C GLN A 59 -5.531 0.548 -8.667 1.00 0.27 C ATOM 949 O GLN A 59 -4.725 0.598 -7.746 1.00 0.29 O ATOM 950 CB GLN A 59 -6.449 2.760 -9.371 1.00 0.39 C ATOM 951 CG GLN A 59 -5.266 3.503 -8.765 1.00 0.56 C ATOM 952 CD GLN A 59 -4.783 4.668 -9.612 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.496 4.999 -9.503 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.558 5.270 -10.353 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.168 2.693 -7.030 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.578 0.927 -9.176 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.241 2.555 -10.421 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.328 3.404 -9.340 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.546 3.873 -7.779 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.443 2.803 -8.621 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.536 4.985 -10.408 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.223 6.054 -10.913 1.00 0.58 H new ATOM 963 N GLY A 60 -5.405 -0.281 -9.701 1.00 0.32 N ATOM 964 CA GLY A 60 -4.287 -1.217 -9.805 1.00 0.38 C ATOM 965 C GLY A 60 -2.942 -0.547 -10.073 1.00 0.37 C ATOM 966 O GLY A 60 -2.111 -1.074 -10.811 1.00 0.55 O ATOM 0 H GLY A 60 -6.063 -0.324 -10.479 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.218 -1.790 -8.880 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.494 -1.927 -10.606 1.00 0.38 H new ATOM 970 N ASP A 61 -2.745 0.606 -9.462 1.00 0.40 N ATOM 971 CA ASP A 61 -1.494 1.348 -9.527 1.00 0.46 C ATOM 972 C ASP A 61 -1.274 2.001 -8.179 1.00 0.44 C ATOM 973 O ASP A 61 -0.286 1.742 -7.499 1.00 0.54 O ATOM 974 CB ASP A 61 -1.518 2.438 -10.611 1.00 0.55 C ATOM 975 CG ASP A 61 -1.517 1.897 -12.026 1.00 0.81 C ATOM 976 OD1 ASP A 61 -2.608 1.572 -12.546 1.00 0.96 O ATOM 977 OD2 ASP A 61 -0.422 1.764 -12.616 1.00 1.06 O ATOM 0 H ASP A 61 -3.460 1.063 -8.896 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.692 0.655 -9.780 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.404 3.057 -10.470 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.652 3.086 -10.480 1.00 0.55 H new ATOM 982 N SER A 62 -2.241 2.824 -7.789 1.00 0.40 N ATOM 983 CA SER A 62 -2.211 3.526 -6.526 1.00 0.46 C ATOM 984 C SER A 62 -3.602 3.434 -5.894 1.00 0.47 C ATOM 985 O SER A 62 -4.159 2.355 -5.772 1.00 0.70 O ATOM 986 CB SER A 62 -1.780 4.982 -6.755 1.00 0.53 C ATOM 987 OG SER A 62 -1.553 5.669 -5.541 1.00 0.80 O ATOM 0 H SER A 62 -3.071 3.019 -8.349 1.00 0.40 H new ATOM 0 HA SER A 62 -1.487 3.077 -5.846 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.871 5.000 -7.356 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.550 5.501 -7.326 1.00 0.53 H new ATOM 0 HG SER A 62 -1.096 6.516 -5.725 1.00 0.80 H new ATOM 993 N VAL A 63 -4.191 4.549 -5.552 1.00 0.38 N ATOM 994 CA VAL A 63 -5.467 4.522 -4.848 1.00 0.37 C ATOM 995 C VAL A 63 -6.632 4.991 -5.708 1.00 0.40 C ATOM 996 O VAL A 63 -6.454 5.659 -6.724 1.00 0.52 O ATOM 997 CB VAL A 63 -5.448 5.360 -3.563 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.450 4.805 -2.565 1.00 0.83 C ATOM 999 CG2 VAL A 63 -5.154 6.809 -3.870 1.00 0.78 C ATOM 0 H VAL A 63 -3.822 5.481 -5.741 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.614 3.472 -4.595 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.439 5.304 -3.112 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.457 5.418 -1.664 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.722 3.781 -2.309 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.452 4.817 -3.004 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -5.146 7.383 -2.943 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -4.181 6.888 -4.354 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.923 7.203 -4.534 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.827 4.602 -5.281 1.00 0.36 N ATOM 1010 CA ARG A 64 -9.066 5.104 -5.850 1.00 0.40 C ATOM 1011 C ARG A 64 -9.405 6.419 -5.151 1.00 0.40 C ATOM 1012 O ARG A 64 -8.736 6.778 -4.187 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.204 4.083 -5.638 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.549 3.841 -4.171 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.767 2.935 -3.990 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.998 3.513 -4.526 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.768 2.900 -5.428 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.369 1.761 -5.979 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.925 3.441 -5.784 1.00 2.05 N ATOM 0 H ARG A 64 -7.962 3.927 -4.528 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.950 5.263 -6.922 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -11.095 4.433 -6.158 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.919 3.136 -6.096 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.691 3.393 -3.670 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.738 4.798 -3.684 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.578 1.980 -4.480 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.903 2.727 -2.929 1.00 0.45 H new ATOM 0 HE ARG A 64 -13.284 4.434 -4.193 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.473 1.352 -5.714 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -13.958 1.294 -6.668 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -15.225 4.323 -5.369 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.515 2.975 -6.473 1.00 2.05 H new ATOM 1033 N PRO A 65 -10.441 7.150 -5.589 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.887 8.359 -4.883 1.00 0.53 C ATOM 1035 C PRO A 65 -11.392 8.035 -3.476 1.00 0.44 C ATOM 1036 O PRO A 65 -11.603 8.922 -2.650 1.00 0.51 O ATOM 1037 CB PRO A 65 -12.036 8.890 -5.743 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.909 8.206 -7.062 1.00 0.72 C ATOM 1039 CD PRO A 65 -11.238 6.890 -6.800 1.00 0.61 C ATOM 0 HA PRO A 65 -10.076 9.076 -4.755 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -13.000 8.675 -5.283 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -11.971 9.972 -5.856 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.888 8.058 -7.517 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -11.323 8.808 -7.756 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.964 6.093 -6.640 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -10.610 6.585 -7.637 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.578 6.746 -3.229 1.00 0.35 N ATOM 1048 CA GLY A 66 -12.088 6.280 -1.958 1.00 0.32 C ATOM 1049 C GLY A 66 -11.016 6.134 -0.890 1.00 0.25 C ATOM 1050 O GLY A 66 -11.189 6.618 0.224 1.00 0.27 O ATOM 0 H GLY A 66 -11.380 6.004 -3.900 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.849 6.975 -1.604 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.578 5.317 -2.103 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.921 5.445 -1.196 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.874 5.247 -0.207 1.00 0.23 C ATOM 1056 C ILE A 67 -7.693 6.175 -0.455 1.00 0.24 C ATOM 1057 O ILE A 67 -7.294 6.389 -1.591 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.402 3.783 -0.218 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.604 2.865 0.004 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.332 3.537 0.836 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.270 1.396 -0.069 1.00 0.34 C ATOM 0 H ILE A 67 -9.739 5.022 -2.106 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.291 5.484 0.772 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.954 3.565 -1.188 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.039 3.081 0.980 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.366 3.092 -0.742 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.020 2.493 0.801 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.473 4.179 0.639 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.735 3.763 1.823 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.173 0.809 0.098 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.863 1.164 -1.053 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.532 1.152 0.695 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.164 6.737 0.621 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.974 7.573 0.561 1.00 0.29 C ATOM 1075 C LEU A 68 -4.806 6.804 1.172 1.00 0.28 C ATOM 1076 O LEU A 68 -5.021 5.915 1.992 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.202 8.880 1.324 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.497 9.624 0.980 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.634 10.871 1.839 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.542 9.989 -0.498 1.00 0.44 C ATOM 0 H LEU A 68 -7.547 6.627 1.560 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.752 7.821 -0.477 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.201 8.663 2.392 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.359 9.544 1.133 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.336 8.960 1.189 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.558 11.389 1.583 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.656 10.587 2.891 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.786 11.532 1.659 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.471 10.516 -0.715 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.696 10.632 -0.740 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.491 9.081 -1.099 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.580 7.122 0.779 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.424 6.369 1.257 1.00 0.27 C ATOM 1094 C VAL A 69 -1.334 7.261 1.834 1.00 0.19 C ATOM 1095 O VAL A 69 -0.885 8.218 1.208 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.834 5.472 0.143 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.375 5.131 0.405 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.642 4.197 0.031 1.00 0.81 C ATOM 0 H VAL A 69 -3.359 7.885 0.139 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.794 5.738 2.065 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.884 6.029 -0.793 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.001 4.500 -0.400 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.211 6.049 0.451 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.290 4.599 1.353 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.223 3.568 -0.755 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.610 3.661 0.980 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.676 4.442 -0.213 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.943 6.951 3.057 1.00 0.18 N ATOM 1109 CA LEU A 70 0.221 7.517 3.660 1.00 0.16 C ATOM 1110 C LEU A 70 1.479 6.824 3.196 1.00 0.15 C ATOM 1111 O LEU A 70 1.615 5.608 3.312 1.00 0.19 O ATOM 1112 CB LEU A 70 0.108 7.387 5.165 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.375 8.639 5.857 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.579 9.219 5.154 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.662 8.377 7.326 1.00 0.90 C ATOM 0 H LEU A 70 -1.439 6.290 3.655 1.00 0.18 H new ATOM 0 HA LEU A 70 0.284 8.565 3.366 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.574 6.570 5.398 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.083 7.114 5.570 1.00 0.22 H new ATOM 0 HG LEU A 70 0.424 9.379 5.806 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.905 10.120 5.674 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.315 9.469 4.126 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -2.387 8.488 5.153 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.008 9.296 7.799 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -1.432 7.611 7.415 1.00 0.90 H new ATOM 0 HD23 LEU A 70 0.248 8.036 7.819 1.00 0.90 H new ATOM 1127 N ILE A 71 2.378 7.606 2.658 1.00 0.14 N ATOM 1128 CA ILE A 71 3.731 7.156 2.452 1.00 0.17 C ATOM 1129 C ILE A 71 4.566 7.694 3.589 1.00 0.20 C ATOM 1130 O ILE A 71 4.765 8.905 3.706 1.00 0.24 O ATOM 1131 CB ILE A 71 4.323 7.607 1.107 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.441 7.112 -0.047 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.746 7.073 0.969 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.438 5.609 -0.218 1.00 0.20 C ATOM 0 H ILE A 71 2.197 8.562 2.353 1.00 0.14 H new ATOM 0 HA ILE A 71 3.732 6.066 2.428 1.00 0.17 H new ATOM 0 HB ILE A 71 4.354 8.696 1.070 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.418 7.450 0.120 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.782 7.572 -0.974 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.164 7.394 0.015 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.360 7.459 1.782 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.732 5.984 1.011 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.792 5.339 -1.053 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.452 5.263 -0.418 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.068 5.140 0.694 1.00 0.20 H new ATOM 1146 N ASN A 72 4.951 6.785 4.468 1.00 0.22 N ATOM 1147 CA ASN A 72 5.709 7.087 5.682 1.00 0.28 C ATOM 1148 C ASN A 72 4.764 7.596 6.736 1.00 0.27 C ATOM 1149 O ASN A 72 4.625 6.983 7.790 1.00 0.31 O ATOM 1150 CB ASN A 72 6.834 8.119 5.474 1.00 0.41 C ATOM 1151 CG ASN A 72 7.820 7.730 4.407 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.799 6.941 4.789 1.00 1.94 O flip ATOM 1153 ND2 ASN A 72 7.715 8.148 3.257 1.00 1.33 N flip ATOM 0 H ASN A 72 4.743 5.792 4.360 1.00 0.22 H new ATOM 0 HA ASN A 72 6.191 6.159 5.988 1.00 0.28 H new ATOM 0 HB2 ASN A 72 6.390 9.080 5.214 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.366 8.258 6.415 1.00 0.41 H new ATOM 0 HD21 ASN A 72 6.938 8.759 3.005 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.405 7.884 2.554 1.00 1.33 H new ATOM 1160 N ASP A 73 4.121 8.710 6.415 1.00 0.26 N ATOM 1161 CA ASP A 73 3.140 9.355 7.280 1.00 0.29 C ATOM 1162 C ASP A 73 2.614 10.613 6.583 1.00 0.28 C ATOM 1163 O ASP A 73 2.337 11.630 7.219 1.00 0.36 O ATOM 1164 CB ASP A 73 3.777 9.716 8.631 1.00 0.36 C ATOM 1165 CG ASP A 73 2.768 10.203 9.652 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.778 9.487 9.907 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.947 11.313 10.193 1.00 0.65 O ATOM 0 H ASP A 73 4.268 9.200 5.532 1.00 0.26 H new ATOM 0 HA ASP A 73 2.312 8.671 7.468 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.294 8.842 9.028 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.530 10.488 8.476 1.00 0.36 H new ATOM 1172 N ALA A 74 2.453 10.534 5.261 1.00 0.27 N ATOM 1173 CA ALA A 74 2.079 11.708 4.475 1.00 0.29 C ATOM 1174 C ALA A 74 1.386 11.318 3.173 1.00 0.25 C ATOM 1175 O ALA A 74 1.436 10.161 2.759 1.00 0.20 O ATOM 1176 CB ALA A 74 3.307 12.560 4.183 1.00 0.33 C ATOM 0 H ALA A 74 2.574 9.679 4.718 1.00 0.27 H new ATOM 0 HA ALA A 74 1.371 12.289 5.066 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.014 13.431 3.597 1.00 0.33 H new ATOM 0 HB2 ALA A 74 3.754 12.888 5.122 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.033 11.972 3.621 1.00 0.33 H new ATOM 1182 N ASP A 75 0.747 12.301 2.539 1.00 0.30 N ATOM 1183 CA ASP A 75 0.004 12.092 1.294 1.00 0.29 C ATOM 1184 C ASP A 75 0.883 11.516 0.186 1.00 0.23 C ATOM 1185 O ASP A 75 1.773 12.181 -0.344 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.644 13.397 0.816 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.814 13.825 1.683 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.932 13.302 1.484 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -1.623 14.693 2.560 1.00 0.62 O ATOM 0 H ASP A 75 0.729 13.265 2.873 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.776 11.364 1.515 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.106 14.188 0.809 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.986 13.273 -0.212 1.00 0.36 H new ATOM 1194 N TRP A 76 0.591 10.269 -0.150 1.00 0.21 N ATOM 1195 CA TRP A 76 1.287 9.507 -1.180 1.00 0.17 C ATOM 1196 C TRP A 76 1.478 10.274 -2.495 1.00 0.16 C ATOM 1197 O TRP A 76 2.591 10.337 -3.020 1.00 0.14 O ATOM 1198 CB TRP A 76 0.504 8.212 -1.450 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.816 8.405 -2.168 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.167 7.829 -3.351 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.940 9.235 -1.787 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.412 8.248 -3.737 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.911 9.102 -2.795 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.223 10.073 -0.703 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.131 9.772 -2.753 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.433 10.733 -0.662 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.374 10.578 -1.680 1.00 0.34 C ATOM 0 H TRP A 76 -0.158 9.742 0.299 1.00 0.21 H new ATOM 0 HA TRP A 76 2.288 9.298 -0.801 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.129 7.543 -2.042 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.315 7.714 -0.499 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.550 7.139 -3.907 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.891 7.967 -4.593 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.503 10.201 0.092 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.859 9.657 -3.542 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.656 11.381 0.173 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.314 11.107 -1.617 1.00 0.34 H new ATOM 1218 N GLU A 77 0.400 10.857 -3.013 1.00 0.19 N ATOM 1219 CA GLU A 77 0.396 11.417 -4.359 1.00 0.21 C ATOM 1220 C GLU A 77 1.397 12.557 -4.500 1.00 0.21 C ATOM 1221 O GLU A 77 1.931 12.796 -5.580 1.00 0.27 O ATOM 1222 CB GLU A 77 -1.005 11.904 -4.733 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.601 12.891 -3.742 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.837 13.573 -4.291 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.952 13.040 -4.112 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.696 14.641 -4.923 1.00 0.82 O ATOM 0 H GLU A 77 -0.486 10.953 -2.517 1.00 0.19 H new ATOM 0 HA GLU A 77 0.694 10.622 -5.042 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.965 12.372 -5.717 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.668 11.043 -4.816 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.855 12.369 -2.819 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.855 13.644 -3.487 1.00 0.49 H new ATOM 1233 N LEU A 78 1.663 13.242 -3.399 1.00 0.24 N ATOM 1234 CA LEU A 78 2.570 14.378 -3.408 1.00 0.29 C ATOM 1235 C LEU A 78 4.004 13.917 -3.195 1.00 0.25 C ATOM 1236 O LEU A 78 4.953 14.663 -3.436 1.00 0.35 O ATOM 1237 CB LEU A 78 2.173 15.370 -2.312 1.00 0.47 C ATOM 1238 CG LEU A 78 0.737 15.897 -2.403 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.428 16.809 -1.226 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.523 16.635 -3.717 1.00 1.00 C ATOM 0 H LEU A 78 1.262 13.030 -2.485 1.00 0.24 H new ATOM 0 HA LEU A 78 2.503 14.869 -4.379 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.307 14.890 -1.343 1.00 0.47 H new ATOM 0 HB3 LEU A 78 2.858 16.218 -2.345 1.00 0.47 H new ATOM 0 HG LEU A 78 0.056 15.047 -2.369 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.596 17.174 -1.307 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.542 16.253 -0.295 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.116 17.655 -1.231 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.502 17.003 -3.765 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.213 17.476 -3.778 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.704 15.955 -4.550 1.00 1.00 H new ATOM 1252 N LEU A 79 4.155 12.677 -2.757 1.00 0.20 N ATOM 1253 CA LEU A 79 5.463 12.153 -2.397 1.00 0.20 C ATOM 1254 C LEU A 79 6.030 11.226 -3.473 1.00 0.20 C ATOM 1255 O LEU A 79 7.243 11.173 -3.666 1.00 0.22 O ATOM 1256 CB LEU A 79 5.372 11.407 -1.061 1.00 0.22 C ATOM 1257 CG LEU A 79 5.639 12.247 0.196 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.607 13.353 0.355 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.655 11.354 1.428 1.00 0.75 C ATOM 0 H LEU A 79 3.388 12.015 -2.642 1.00 0.20 H new ATOM 0 HA LEU A 79 6.143 13.000 -2.305 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.377 10.970 -0.978 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.082 10.580 -1.080 1.00 0.22 H new ATOM 0 HG LEU A 79 6.615 12.719 0.085 1.00 0.38 H new ATOM 0 HD11 LEU A 79 4.826 13.928 1.255 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.642 14.011 -0.514 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.613 12.914 0.438 1.00 0.79 H new ATOM 0 HD21 LEU A 79 5.845 11.960 2.314 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.691 10.856 1.529 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.441 10.606 1.325 1.00 0.75 H new ATOM 1271 N GLY A 80 5.166 10.521 -4.194 1.00 0.20 N ATOM 1272 CA GLY A 80 5.644 9.586 -5.204 1.00 0.22 C ATOM 1273 C GLY A 80 4.736 8.381 -5.355 1.00 0.19 C ATOM 1274 O GLY A 80 4.726 7.737 -6.406 1.00 0.22 O ATOM 0 H GLY A 80 4.152 10.576 -4.102 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.723 10.100 -6.162 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.647 9.251 -4.939 1.00 0.22 H new ATOM 1278 N GLU A 81 3.987 8.088 -4.286 1.00 0.17 N ATOM 1279 CA GLU A 81 2.949 7.044 -4.261 1.00 0.20 C ATOM 1280 C GLU A 81 3.367 5.732 -4.938 1.00 0.16 C ATOM 1281 O GLU A 81 4.393 5.149 -4.587 1.00 0.17 O ATOM 1282 CB GLU A 81 1.628 7.568 -4.851 1.00 0.33 C ATOM 1283 CG GLU A 81 1.771 8.358 -6.141 1.00 0.48 C ATOM 1284 CD GLU A 81 0.444 8.615 -6.824 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.325 7.649 -7.007 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.169 9.777 -7.183 1.00 0.41 O ATOM 0 H GLU A 81 4.085 8.577 -3.396 1.00 0.17 H new ATOM 0 HA GLU A 81 2.800 6.801 -3.209 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.967 6.721 -5.033 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.140 8.199 -4.108 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.254 9.311 -5.926 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.426 7.816 -6.823 1.00 0.48 H new ATOM 1293 N LEU A 82 2.544 5.279 -5.891 1.00 0.16 N ATOM 1294 CA LEU A 82 2.698 3.982 -6.553 1.00 0.18 C ATOM 1295 C LEU A 82 4.148 3.682 -6.959 1.00 0.16 C ATOM 1296 O LEU A 82 4.618 2.552 -6.809 1.00 0.20 O ATOM 1297 CB LEU A 82 1.731 3.855 -7.762 1.00 0.24 C ATOM 1298 CG LEU A 82 1.963 4.721 -9.022 1.00 0.28 C ATOM 1299 CD1 LEU A 82 2.293 6.160 -8.674 1.00 1.06 C ATOM 1300 CD2 LEU A 82 3.021 4.111 -9.933 1.00 1.19 C ATOM 0 H LEU A 82 1.742 5.812 -6.227 1.00 0.16 H new ATOM 0 HA LEU A 82 2.428 3.224 -5.817 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.739 2.812 -8.078 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.726 4.070 -7.399 1.00 0.24 H new ATOM 0 HG LEU A 82 1.023 4.735 -9.573 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.448 6.730 -9.590 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.468 6.596 -8.110 1.00 1.06 H new ATOM 0 HD13 LEU A 82 3.200 6.190 -8.071 1.00 1.06 H new ATOM 0 HD21 LEU A 82 3.158 4.746 -10.808 1.00 1.19 H new ATOM 0 HD22 LEU A 82 3.964 4.030 -9.392 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.699 3.119 -10.251 1.00 1.19 H new ATOM 1312 N ASP A 83 4.863 4.695 -7.431 1.00 0.20 N ATOM 1313 CA ASP A 83 6.219 4.503 -7.932 1.00 0.24 C ATOM 1314 C ASP A 83 7.233 4.879 -6.859 1.00 0.26 C ATOM 1315 O ASP A 83 7.956 5.868 -6.979 1.00 0.56 O ATOM 1316 CB ASP A 83 6.435 5.350 -9.191 1.00 0.34 C ATOM 1317 CG ASP A 83 7.632 4.912 -10.015 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.759 4.868 -9.481 1.00 1.72 O ATOM 1319 OD2 ASP A 83 7.448 4.631 -11.219 1.00 2.00 O ATOM 0 H ASP A 83 4.528 5.657 -7.478 1.00 0.20 H new ATOM 0 HA ASP A 83 6.358 3.453 -8.187 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.540 5.301 -9.811 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.565 6.392 -8.900 1.00 0.34 H new ATOM 1324 N TYR A 84 7.234 4.123 -5.778 1.00 0.21 N ATOM 1325 CA TYR A 84 8.172 4.353 -4.702 1.00 0.19 C ATOM 1326 C TYR A 84 9.197 3.242 -4.603 1.00 0.21 C ATOM 1327 O TYR A 84 8.849 2.090 -4.396 1.00 0.33 O ATOM 1328 CB TYR A 84 7.448 4.506 -3.371 1.00 0.19 C ATOM 1329 CG TYR A 84 7.536 5.904 -2.832 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.756 6.478 -2.520 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.386 6.645 -2.622 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.830 7.758 -2.015 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.446 7.922 -2.117 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.727 8.492 -1.861 1.00 0.25 C ATOM 1335 OH TYR A 84 7.719 9.755 -1.316 1.00 0.30 O ATOM 0 H TYR A 84 6.594 3.344 -5.624 1.00 0.21 H new ATOM 0 HA TYR A 84 8.696 5.281 -4.931 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.400 4.233 -3.496 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.874 3.812 -2.646 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.664 5.914 -2.675 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.425 6.212 -2.859 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.790 8.171 -1.741 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.543 8.481 -1.919 1.00 0.21 H new ATOM 0 HH TYR A 84 8.572 10.198 -1.505 1.00 0.30 H new ATOM 1345 N GLN A 85 10.460 3.612 -4.683 1.00 0.27 N ATOM 1346 CA GLN A 85 11.567 2.669 -4.521 1.00 0.28 C ATOM 1347 C GLN A 85 11.781 2.354 -3.040 1.00 0.24 C ATOM 1348 O GLN A 85 12.827 1.834 -2.644 1.00 0.28 O ATOM 1349 CB GLN A 85 12.850 3.252 -5.126 1.00 0.40 C ATOM 1350 CG GLN A 85 13.445 4.443 -4.368 1.00 0.70 C ATOM 1351 CD GLN A 85 12.473 5.595 -4.185 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.344 6.461 -5.045 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.796 5.620 -3.049 1.00 0.74 N ATOM 0 H GLN A 85 10.755 4.572 -4.862 1.00 0.27 H new ATOM 0 HA GLN A 85 11.319 1.745 -5.044 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.600 2.463 -5.177 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.642 3.561 -6.150 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.785 4.106 -3.389 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.324 4.802 -4.904 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.931 4.881 -2.359 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.139 6.378 -2.863 1.00 0.74 H new ATOM 1362 N LEU A 86 10.741 2.642 -2.253 1.00 0.22 N ATOM 1363 CA LEU A 86 10.770 2.571 -0.785 1.00 0.24 C ATOM 1364 C LEU A 86 11.849 3.502 -0.201 1.00 0.30 C ATOM 1365 O LEU A 86 12.808 3.868 -0.882 1.00 0.34 O ATOM 1366 CB LEU A 86 10.967 1.116 -0.313 1.00 0.25 C ATOM 1367 CG LEU A 86 9.891 0.121 -0.761 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.503 0.729 -0.625 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.157 -0.358 -2.180 1.00 0.86 C ATOM 0 H LEU A 86 9.837 2.937 -2.623 1.00 0.22 H new ATOM 0 HA LEU A 86 9.806 2.917 -0.411 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.934 0.764 -0.673 1.00 0.25 H new ATOM 0 HB3 LEU A 86 11.011 1.109 0.776 1.00 0.25 H new ATOM 0 HG LEU A 86 9.933 -0.750 -0.107 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.755 0.005 -0.949 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.323 0.996 0.416 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.435 1.623 -1.245 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.381 -1.063 -2.477 1.00 0.86 H new ATOM 0 HD22 LEU A 86 10.152 0.495 -2.859 1.00 0.86 H new ATOM 0 HD23 LEU A 86 11.129 -0.849 -2.222 1.00 0.86 H new ATOM 1381 N GLN A 87 11.678 3.928 1.046 1.00 0.39 N ATOM 1382 CA GLN A 87 12.665 4.805 1.669 1.00 0.51 C ATOM 1383 C GLN A 87 13.316 4.167 2.877 1.00 0.76 C ATOM 1384 O GLN A 87 14.481 3.775 2.812 1.00 1.74 O ATOM 1385 CB GLN A 87 12.085 6.181 2.027 1.00 0.46 C ATOM 1386 CG GLN A 87 10.601 6.227 2.357 1.00 0.86 C ATOM 1387 CD GLN A 87 9.701 6.520 1.162 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.542 7.675 0.778 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.042 5.496 0.627 1.00 0.48 N ATOM 0 H GLN A 87 10.882 3.687 1.636 1.00 0.39 H new ATOM 0 HA GLN A 87 13.439 4.962 0.918 1.00 0.51 H new ATOM 0 HB2 GLN A 87 12.637 6.572 2.882 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.270 6.857 1.192 1.00 0.46 H new ATOM 0 HG2 GLN A 87 10.308 5.272 2.792 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.434 6.989 3.118 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.201 4.550 0.973 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.377 5.657 -0.130 1.00 0.48 H new ATOM 1398 N ASP A 88 12.584 4.093 3.969 1.00 0.43 N ATOM 1399 CA ASP A 88 13.012 3.348 5.142 1.00 0.40 C ATOM 1400 C ASP A 88 11.980 3.506 6.245 1.00 0.32 C ATOM 1401 O ASP A 88 11.455 4.605 6.442 1.00 0.36 O ATOM 1402 CB ASP A 88 14.396 3.783 5.666 1.00 0.56 C ATOM 1403 CG ASP A 88 14.421 5.185 6.250 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.130 5.345 7.457 1.00 1.53 O ATOM 1405 OD2 ASP A 88 14.773 6.133 5.517 1.00 2.44 O ATOM 0 H ASP A 88 11.676 4.546 4.072 1.00 0.43 H new ATOM 0 HA ASP A 88 13.101 2.304 4.841 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.723 3.077 6.429 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.116 3.727 4.850 1.00 0.56 H new ATOM 1410 N GLN A 89 11.664 2.407 6.939 1.00 0.31 N ATOM 1411 CA GLN A 89 10.715 2.430 8.045 1.00 0.34 C ATOM 1412 C GLN A 89 9.395 3.051 7.612 1.00 0.34 C ATOM 1413 O GLN A 89 8.646 3.607 8.419 1.00 0.42 O ATOM 1414 CB GLN A 89 11.325 3.165 9.236 1.00 0.40 C ATOM 1415 CG GLN A 89 12.372 2.337 9.972 1.00 0.62 C ATOM 1416 CD GLN A 89 13.610 2.024 9.149 1.00 0.77 C ATOM 1417 OE1 GLN A 89 14.566 2.797 9.110 1.00 1.56 O ATOM 1418 NE2 GLN A 89 13.611 0.861 8.509 1.00 0.71 N ATOM 0 H GLN A 89 12.058 1.486 6.748 1.00 0.31 H new ATOM 0 HA GLN A 89 10.500 1.407 8.353 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.781 4.092 8.889 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.532 3.440 9.932 1.00 0.40 H new ATOM 0 HG2 GLN A 89 12.674 2.871 10.873 1.00 0.62 H new ATOM 0 HG3 GLN A 89 11.917 1.400 10.294 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.799 0.247 8.566 1.00 0.71 H new ATOM 0 HE22 GLN A 89 14.424 0.581 7.961 1.00 0.71 H new ATOM 1427 N ASP A 90 9.129 2.901 6.323 1.00 0.30 N ATOM 1428 CA ASP A 90 7.929 3.400 5.679 1.00 0.34 C ATOM 1429 C ASP A 90 6.681 2.915 6.380 1.00 0.32 C ATOM 1430 O ASP A 90 6.526 1.715 6.597 1.00 0.45 O ATOM 1431 CB ASP A 90 7.890 2.880 4.244 1.00 0.45 C ATOM 1432 CG ASP A 90 8.380 3.856 3.218 1.00 0.75 C ATOM 1433 OD1 ASP A 90 7.723 4.912 3.045 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.430 3.599 2.612 1.00 1.06 O ATOM 0 H ASP A 90 9.758 2.417 5.683 1.00 0.30 H new ATOM 0 HA ASP A 90 7.955 4.489 5.714 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.492 1.974 4.182 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.866 2.599 4.000 1.00 0.45 H new ATOM 1439 N SER A 91 5.798 3.823 6.754 1.00 0.23 N ATOM 1440 CA SER A 91 4.492 3.433 7.142 1.00 0.21 C ATOM 1441 C SER A 91 3.536 3.711 6.000 1.00 0.17 C ATOM 1442 O SER A 91 3.062 4.830 5.818 1.00 0.17 O ATOM 1443 CB SER A 91 4.098 4.199 8.377 1.00 0.25 C ATOM 1444 OG SER A 91 4.883 3.819 9.495 1.00 1.14 O ATOM 0 H SER A 91 5.978 4.826 6.791 1.00 0.23 H new ATOM 0 HA SER A 91 4.460 2.368 7.370 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.213 5.268 8.196 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.044 4.024 8.594 1.00 0.25 H new ATOM 0 HG SER A 91 4.605 4.335 10.281 1.00 1.14 H new ATOM 1450 N ILE A 92 3.289 2.688 5.215 1.00 0.17 N ATOM 1451 CA ILE A 92 2.405 2.800 4.079 1.00 0.15 C ATOM 1452 C ILE A 92 1.007 2.415 4.529 1.00 0.14 C ATOM 1453 O ILE A 92 0.718 1.240 4.759 1.00 0.17 O ATOM 1454 CB ILE A 92 2.849 1.883 2.911 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.378 1.920 2.716 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.139 2.284 1.626 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.954 3.299 2.451 1.00 0.21 C ATOM 0 H ILE A 92 3.693 1.760 5.345 1.00 0.17 H new ATOM 0 HA ILE A 92 2.430 3.826 3.712 1.00 0.15 H new ATOM 0 HB ILE A 92 2.571 0.860 3.164 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.853 1.508 3.606 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.640 1.267 1.884 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.460 1.632 0.814 1.00 0.19 H new ATOM 0 HG22 ILE A 92 1.061 2.191 1.761 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.386 3.317 1.381 1.00 0.19 H new ATOM 0 HD11 ILE A 92 6.034 3.224 2.327 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.512 3.709 1.543 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.730 3.955 3.292 1.00 0.21 H new ATOM 1469 N LEU A 93 0.148 3.404 4.666 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.157 3.187 5.255 1.00 0.14 C ATOM 1471 C LEU A 93 -2.259 3.497 4.254 1.00 0.14 C ATOM 1472 O LEU A 93 -2.293 4.580 3.677 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.317 4.069 6.494 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.023 3.406 7.676 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.517 4.447 8.665 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.168 2.543 7.192 1.00 0.56 C ATOM 0 H LEU A 93 0.330 4.365 4.378 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.238 2.139 5.542 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.329 4.396 6.818 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.873 4.964 6.214 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.303 2.768 8.189 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.016 3.950 9.497 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.671 5.023 9.040 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.219 5.116 8.168 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.660 2.078 8.047 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.886 3.160 6.652 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.784 1.768 6.529 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.153 2.541 4.054 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.315 2.751 3.209 1.00 0.14 C ATOM 1490 C PHE A 94 -5.509 3.155 4.075 1.00 0.13 C ATOM 1491 O PHE A 94 -6.006 2.359 4.869 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.646 1.467 2.437 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.510 0.928 1.603 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.416 0.332 2.206 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.533 1.027 0.219 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.369 -0.158 1.447 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.489 0.540 -0.543 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.425 -0.075 0.061 1.00 0.33 C ATOM 0 H PHE A 94 -3.094 1.610 4.467 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.098 3.545 2.495 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.954 0.700 3.148 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.499 1.659 1.786 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.380 0.249 3.282 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.378 1.491 -0.268 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.511 -0.603 1.929 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.512 0.644 -1.618 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.631 -0.495 -0.539 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.984 4.376 3.909 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.102 4.877 4.695 1.00 0.17 C ATOM 1510 C ILE A 95 -8.290 5.140 3.795 1.00 0.18 C ATOM 1511 O ILE A 95 -8.266 6.062 2.984 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.776 6.187 5.460 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.641 5.985 6.461 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.013 6.710 6.179 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.275 6.022 5.832 1.00 1.16 C ATOM 0 H ILE A 95 -5.612 5.044 3.234 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.324 4.104 5.431 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.452 6.922 4.723 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.701 6.758 7.227 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.776 5.027 6.963 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.764 7.629 6.710 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.799 6.913 5.451 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.363 5.963 6.892 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.516 5.872 6.600 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.197 5.232 5.085 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.121 6.989 5.354 1.00 1.16 H new ATOM 1527 N SER A 96 -9.312 4.321 3.915 1.00 0.20 N ATOM 1528 CA SER A 96 -10.529 4.558 3.177 1.00 0.24 C ATOM 1529 C SER A 96 -11.232 5.776 3.755 1.00 0.28 C ATOM 1530 O SER A 96 -11.639 5.779 4.918 1.00 0.35 O ATOM 1531 CB SER A 96 -11.434 3.325 3.221 1.00 0.31 C ATOM 1532 OG SER A 96 -12.580 3.486 2.401 1.00 0.37 O ATOM 0 H SER A 96 -9.324 3.493 4.511 1.00 0.20 H new ATOM 0 HA SER A 96 -10.290 4.750 2.131 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.873 2.450 2.894 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.745 3.138 4.249 1.00 0.31 H new ATOM 0 HG SER A 96 -13.134 2.680 2.452 1.00 0.37 H new ATOM 1538 N THR A 97 -11.343 6.817 2.945 1.00 0.27 N ATOM 1539 CA THR A 97 -11.962 8.051 3.379 1.00 0.36 C ATOM 1540 C THR A 97 -13.462 7.993 3.098 1.00 0.48 C ATOM 1541 O THR A 97 -14.207 8.938 3.374 1.00 0.58 O ATOM 1542 CB THR A 97 -11.311 9.280 2.693 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.657 10.485 3.390 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.739 9.405 1.235 1.00 0.35 C ATOM 0 H THR A 97 -11.010 6.828 1.981 1.00 0.27 H new ATOM 0 HA THR A 97 -11.806 8.165 4.452 1.00 0.36 H new ATOM 0 HB THR A 97 -10.232 9.132 2.725 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.605 10.460 3.636 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.262 10.278 0.789 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.440 8.510 0.690 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.822 9.517 1.182 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.891 6.853 2.559 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.298 6.594 2.315 1.00 0.70 C ATOM 1554 C LEU A 98 -16.064 6.658 3.627 1.00 0.79 C ATOM 1555 O LEU A 98 -15.539 6.296 4.682 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.479 5.226 1.651 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.795 5.079 0.288 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.933 3.657 -0.235 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.381 6.067 -0.709 1.00 1.09 C ATOM 0 H LEU A 98 -13.272 6.091 2.283 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.691 7.354 1.640 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -15.092 4.458 2.321 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.545 5.035 1.529 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.734 5.296 0.414 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -14.440 3.576 -1.204 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.469 2.964 0.467 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.989 3.410 -0.344 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.884 5.950 -1.672 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.448 5.877 -0.825 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -15.231 7.083 -0.345 1.00 1.09 H new ATOM 1571 N HIS A 99 -17.299 7.124 3.564 1.00 1.41 N ATOM 1572 CA HIS A 99 -18.068 7.386 4.771 1.00 1.74 C ATOM 1573 C HIS A 99 -18.837 6.147 5.207 1.00 2.61 C ATOM 1574 O HIS A 99 -19.159 5.988 6.386 1.00 3.47 O ATOM 1575 CB HIS A 99 -19.019 8.569 4.554 1.00 2.60 C ATOM 1576 CG HIS A 99 -18.304 9.847 4.228 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -18.024 10.813 5.168 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -17.787 10.301 3.061 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -17.367 11.803 4.596 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -17.208 11.519 3.317 1.00 4.93 N ATOM 0 H HIS A 99 -17.791 7.329 2.694 1.00 1.41 H new ATOM 0 HA HIS A 99 -17.372 7.645 5.569 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -19.709 8.329 3.745 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -19.619 8.714 5.452 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -17.824 9.798 2.106 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -17.017 12.697 5.091 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -16.733 12.107 2.632 1.00 4.93 H new ATOM 1589 N GLY A 100 -19.127 5.269 4.253 1.00 3.03 N ATOM 1590 CA GLY A 100 -19.811 4.026 4.562 1.00 4.27 C ATOM 1591 C GLY A 100 -21.308 4.216 4.704 1.00 4.88 C ATOM 1592 O GLY A 100 -22.088 3.708 3.896 1.00 5.56 O ATOM 0 H GLY A 100 -18.900 5.397 3.267 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -19.612 3.298 3.775 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -19.410 3.613 5.487 1.00 4.27 H new ATOM 1596 N GLY A 101 -21.702 4.960 5.722 1.00 5.05 N ATOM 1597 CA GLY A 101 -23.100 5.231 5.960 1.00 6.01 C ATOM 1598 C GLY A 101 -23.372 5.476 7.425 1.00 6.44 C ATOM 1599 O GLY A 101 -22.441 5.912 8.137 1.00 6.66 O ATOM 1600 OXT GLY A 101 -24.512 5.244 7.873 1.00 6.91 O ATOM 0 H GLY A 101 -21.067 5.387 6.397 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -23.407 6.102 5.381 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -23.700 4.390 5.613 1.00 6.01 H new TER 1604 GLY A 101