USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 6 HIS : no HE2:sc= -1.89! C(o=-3.6!,f=-6.8!) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.76! K(o=-3.6!,f=-3.1) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 155:sc= -0.608 (180deg=-2.35!) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.43! C(o=-1.2!,f=-4.8!) USER MOD Set 2.3: A 50 SER OG : rot 83:sc= 0.837! USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0.128 USER MOD Set 3.2: A 45 GLN : amide:sc= -1.51 K(o=-1.4,f=-0.33) USER MOD Set 4.1: A 2 HIS : no HD1:sc= 0.759 K(o=1.7,f=-8.9!) USER MOD Set 4.2: A 3 SER OG : rot 92:sc= 0.893 USER MOD Single : A 1 HIS : no HE2:sc= 0.555 K(o=0.55,f=-4.7!) USER MOD Single : A 1 HIS N :NH3+ -113:sc= -1.04 (180deg=-4.84!) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= -2.15! (180deg=-4.17!) USER MOD Single : A 16 ASN : amide:sc= 0.148 K(o=0.15,f=-6.8!) USER MOD Single : A 21 ASN : amide:sc= -3.61! K(o=-3.6!,f=-1.3) USER MOD Single : A 24 SER OG : rot 147:sc= 0.634 USER MOD Single : A 27 HIS : no HE2:sc= -2.05 K(o=-2,f=-2.9) USER MOD Single : A 31 SER OG : rot 106:sc= 1.27 USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000271 USER MOD Single : A 34 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.0075) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.778 (180deg=0.778) USER MOD Single : A 42 SER OG : rot 75:sc= 0.921 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 1.13 (180deg=-0.0995) USER MOD Single : A 70 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.092) USER MOD Single : A 71 ASN : amide:sc= -0.839 K(o=-0.84,f=-0.27) USER MOD Single : A 74 GLN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 75 TYR OH : rot -98:sc= 0.848 USER MOD Single : A 80 ASN : amide:sc= -1 K(o=-1,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 8.098 4.360 -25.941 1.00 12.73 N ATOM 2 CA HIS A 1 7.741 3.036 -26.523 1.00 13.62 C ATOM 3 C HIS A 1 8.521 1.944 -25.769 1.00 13.65 C ATOM 4 O HIS A 1 9.279 1.196 -26.354 1.00 14.49 O ATOM 5 CB HIS A 1 8.087 3.004 -28.025 1.00 14.81 C ATOM 6 CG HIS A 1 7.587 1.753 -28.755 1.00 15.84 C ATOM 7 ND1 HIS A 1 8.093 0.576 -28.513 1.00 16.43 N ATOM 8 CD2 HIS A 1 6.632 1.574 -29.724 1.00 16.59 C ATOM 9 CE1 HIS A 1 7.500 -0.309 -29.284 1.00 17.45 C ATOM 10 NE2 HIS A 1 6.611 0.308 -30.020 1.00 17.54 N ATOM 0 H1 HIS A 1 7.268 4.764 -25.463 1.00 12.73 H new ATOM 0 H2 HIS A 1 8.869 4.240 -25.254 1.00 12.73 H new ATOM 0 H3 HIS A 1 8.407 5.001 -26.700 1.00 12.73 H new ATOM 0 HA HIS A 1 6.670 2.861 -26.420 1.00 13.62 H new ATOM 0 HB2 HIS A 1 7.661 3.886 -28.504 1.00 14.81 H new ATOM 0 HB3 HIS A 1 9.169 3.070 -28.139 1.00 14.81 H new ATOM 0 HD1 HIS A 1 8.829 0.375 -27.836 1.00 16.43 H new ATOM 0 HD2 HIS A 1 6.012 2.343 -30.160 1.00 16.59 H new ATOM 0 HE1 HIS A 1 7.711 -1.368 -29.306 1.00 17.45 H new ATOM 20 N HIS A 2 8.350 1.907 -24.473 1.00 12.98 N ATOM 21 CA HIS A 2 9.058 0.885 -23.647 1.00 13.36 C ATOM 22 C HIS A 2 8.088 0.306 -22.622 1.00 13.41 C ATOM 23 O HIS A 2 7.942 -0.894 -22.491 1.00 14.52 O ATOM 24 CB HIS A 2 10.235 1.543 -22.920 1.00 12.69 C ATOM 25 CG HIS A 2 11.125 0.543 -22.176 1.00 12.84 C ATOM 26 ND1 HIS A 2 10.732 -0.056 -21.079 1.00 12.83 N ATOM 27 CD2 HIS A 2 12.385 0.071 -22.444 1.00 13.39 C ATOM 28 CE1 HIS A 2 11.688 -0.859 -20.676 1.00 13.40 C ATOM 29 NE2 HIS A 2 12.691 -0.777 -21.511 1.00 13.68 N ATOM 0 H HIS A 2 7.748 2.543 -23.950 1.00 12.98 H new ATOM 0 HA HIS A 2 9.429 0.088 -24.291 1.00 13.36 H new ATOM 0 HB2 HIS A 2 10.840 2.089 -23.644 1.00 12.69 H new ATOM 0 HB3 HIS A 2 9.851 2.275 -22.210 1.00 12.69 H new ATOM 0 HD2 HIS A 2 13.008 0.354 -23.279 1.00 13.39 H new ATOM 0 HE1 HIS A 2 11.652 -1.486 -19.797 1.00 13.40 H new ATOM 0 HE2 HIS A 2 13.568 -1.294 -21.441 1.00 13.68 H new ATOM 37 N SER A 3 7.476 1.182 -21.884 1.00 12.56 N ATOM 38 CA SER A 3 6.513 0.733 -20.852 1.00 13.02 C ATOM 39 C SER A 3 5.385 1.754 -20.683 1.00 12.20 C ATOM 40 O SER A 3 4.232 1.413 -20.820 1.00 12.91 O ATOM 41 CB SER A 3 7.267 0.545 -19.528 1.00 13.22 C ATOM 42 OG SER A 3 8.334 -0.354 -19.849 1.00 13.96 O ATOM 0 H SER A 3 7.602 2.192 -21.952 1.00 12.56 H new ATOM 0 HA SER A 3 6.063 -0.211 -21.159 1.00 13.02 H new ATOM 0 HB2 SER A 3 7.647 1.494 -19.149 1.00 13.22 H new ATOM 0 HB3 SER A 3 6.618 0.131 -18.756 1.00 13.22 H new ATOM 0 HG SER A 3 9.131 0.160 -20.097 1.00 13.96 H new ATOM 48 N GLY A 4 5.734 2.993 -20.419 1.00 11.01 N ATOM 49 CA GLY A 4 4.653 4.013 -20.216 1.00 10.46 C ATOM 50 C GLY A 4 5.033 5.410 -20.719 1.00 9.28 C ATOM 51 O GLY A 4 5.129 6.330 -19.933 1.00 9.14 O ATOM 0 H GLY A 4 6.691 3.335 -20.337 1.00 11.01 H new ATOM 0 HA2 GLY A 4 3.751 3.683 -20.730 1.00 10.46 H new ATOM 0 HA3 GLY A 4 4.412 4.070 -19.154 1.00 10.46 H new ATOM 55 N GLU A 5 5.215 5.568 -22.003 1.00 8.99 N ATOM 56 CA GLU A 5 5.561 6.927 -22.530 1.00 8.45 C ATOM 57 C GLU A 5 4.259 7.533 -23.044 1.00 7.91 C ATOM 58 O GLU A 5 4.131 7.911 -24.200 1.00 8.41 O ATOM 59 CB GLU A 5 6.575 6.824 -23.682 1.00 9.23 C ATOM 60 CG GLU A 5 7.790 5.992 -23.242 1.00 9.76 C ATOM 61 CD GLU A 5 7.415 4.516 -23.104 1.00 10.38 C ATOM 62 OE1 GLU A 5 6.620 4.067 -23.916 1.00 11.13 O ATOM 63 OE2 GLU A 5 7.973 3.898 -22.231 1.00 10.52 O ATOM 0 H GLU A 5 5.141 4.830 -22.703 1.00 8.99 H new ATOM 0 HA GLU A 5 6.013 7.540 -21.750 1.00 8.45 H new ATOM 0 HB2 GLU A 5 6.105 6.364 -24.551 1.00 9.23 H new ATOM 0 HB3 GLU A 5 6.897 7.821 -23.984 1.00 9.23 H new ATOM 0 HG2 GLU A 5 8.594 6.101 -23.970 1.00 9.76 H new ATOM 0 HG3 GLU A 5 8.168 6.367 -22.291 1.00 9.76 H new ATOM 70 N HIS A 6 3.299 7.571 -22.159 1.00 7.26 N ATOM 71 CA HIS A 6 1.948 8.112 -22.509 1.00 7.09 C ATOM 72 C HIS A 6 1.418 8.981 -21.360 1.00 6.06 C ATOM 73 O HIS A 6 2.133 9.251 -20.416 1.00 5.75 O ATOM 74 CB HIS A 6 1.006 6.924 -22.745 1.00 7.92 C ATOM 75 CG HIS A 6 1.712 5.736 -23.402 1.00 8.72 C ATOM 76 ND1 HIS A 6 2.480 5.898 -24.444 1.00 9.48 N ATOM 77 CD2 HIS A 6 1.742 4.401 -23.097 1.00 9.32 C ATOM 78 CE1 HIS A 6 2.972 4.732 -24.791 1.00 10.38 C ATOM 79 NE2 HIS A 6 2.520 3.823 -23.965 1.00 10.25 N ATOM 0 H HIS A 6 3.392 7.247 -21.196 1.00 7.26 H new ATOM 0 HA HIS A 6 2.009 8.728 -23.406 1.00 7.09 H new ATOM 0 HB2 HIS A 6 0.580 6.608 -21.793 1.00 7.92 H new ATOM 0 HB3 HIS A 6 0.176 7.243 -23.375 1.00 7.92 H new ATOM 0 HD1 HIS A 6 2.667 6.785 -24.912 1.00 9.48 H new ATOM 0 HD2 HIS A 6 1.217 3.918 -22.286 1.00 9.32 H new ATOM 0 HE1 HIS A 6 3.639 4.552 -25.621 1.00 10.38 H new ATOM 87 N PHE A 7 0.174 9.393 -21.449 1.00 6.35 N ATOM 88 CA PHE A 7 -0.399 10.243 -20.359 1.00 6.01 C ATOM 89 C PHE A 7 -1.775 9.731 -19.901 1.00 5.93 C ATOM 90 O PHE A 7 -2.791 10.129 -20.449 1.00 6.96 O ATOM 91 CB PHE A 7 -0.525 11.686 -20.873 1.00 7.21 C ATOM 92 CG PHE A 7 -0.669 12.649 -19.686 1.00 7.97 C ATOM 93 CD1 PHE A 7 -1.829 12.676 -18.929 1.00 8.82 C ATOM 94 CD2 PHE A 7 0.377 13.485 -19.336 1.00 8.44 C ATOM 95 CE1 PHE A 7 -1.938 13.518 -17.843 1.00 10.06 C ATOM 96 CE2 PHE A 7 0.265 14.328 -18.250 1.00 9.64 C ATOM 97 CZ PHE A 7 -0.890 14.342 -17.502 1.00 10.43 C ATOM 0 H PHE A 7 -0.461 9.180 -22.219 1.00 6.35 H new ATOM 0 HA PHE A 7 0.269 10.200 -19.499 1.00 6.01 H new ATOM 0 HB2 PHE A 7 0.353 11.950 -21.463 1.00 7.21 H new ATOM 0 HB3 PHE A 7 -1.389 11.773 -21.531 1.00 7.21 H new ATOM 0 HD1 PHE A 7 -2.655 12.032 -19.192 1.00 8.82 H new ATOM 0 HD2 PHE A 7 1.287 13.477 -19.917 1.00 8.44 H new ATOM 0 HE1 PHE A 7 -2.847 13.531 -17.259 1.00 10.06 H new ATOM 0 HE2 PHE A 7 1.086 14.979 -17.986 1.00 9.64 H new ATOM 0 HZ PHE A 7 -0.974 14.999 -16.649 1.00 10.43 H new ATOM 107 N GLU A 8 -1.775 8.837 -18.940 1.00 5.28 N ATOM 108 CA GLU A 8 -3.073 8.309 -18.410 1.00 5.85 C ATOM 109 C GLU A 8 -3.566 9.272 -17.327 1.00 5.57 C ATOM 110 O GLU A 8 -4.751 9.409 -17.087 1.00 6.68 O ATOM 111 CB GLU A 8 -2.880 6.900 -17.815 1.00 6.19 C ATOM 112 CG GLU A 8 -1.645 6.848 -16.891 1.00 5.89 C ATOM 113 CD GLU A 8 -1.611 5.536 -16.080 1.00 6.37 C ATOM 114 OE1 GLU A 8 -2.177 4.556 -16.545 1.00 7.10 O ATOM 115 OE2 GLU A 8 -0.954 5.554 -15.055 1.00 6.53 O ATOM 0 H GLU A 8 -0.938 8.452 -18.502 1.00 5.28 H new ATOM 0 HA GLU A 8 -3.803 8.235 -19.216 1.00 5.85 H new ATOM 0 HB2 GLU A 8 -3.770 6.615 -17.254 1.00 6.19 H new ATOM 0 HB3 GLU A 8 -2.765 6.175 -18.621 1.00 6.19 H new ATOM 0 HG2 GLU A 8 -0.737 6.934 -17.488 1.00 5.89 H new ATOM 0 HG3 GLU A 8 -1.660 7.699 -16.210 1.00 5.89 H new ATOM 122 N GLY A 9 -2.613 9.877 -16.664 1.00 4.50 N ATOM 123 CA GLY A 9 -2.929 10.868 -15.597 1.00 4.54 C ATOM 124 C GLY A 9 -2.956 10.230 -14.226 1.00 4.15 C ATOM 125 O GLY A 9 -2.193 10.627 -13.373 1.00 4.56 O ATOM 0 H GLY A 9 -1.617 9.722 -16.821 1.00 4.50 H new ATOM 0 HA2 GLY A 9 -2.187 11.666 -15.612 1.00 4.54 H new ATOM 0 HA3 GLY A 9 -3.896 11.328 -15.803 1.00 4.54 H new ATOM 129 N GLU A 10 -3.883 9.327 -14.026 1.00 3.82 N ATOM 130 CA GLU A 10 -3.992 8.615 -12.710 1.00 3.71 C ATOM 131 C GLU A 10 -4.363 7.148 -12.978 1.00 3.59 C ATOM 132 O GLU A 10 -4.988 6.848 -13.984 1.00 4.12 O ATOM 133 CB GLU A 10 -5.067 9.277 -11.830 1.00 4.84 C ATOM 134 CG GLU A 10 -4.780 10.790 -11.701 1.00 5.83 C ATOM 135 CD GLU A 10 -5.351 11.381 -10.405 1.00 6.75 C ATOM 136 OE1 GLU A 10 -5.980 10.629 -9.679 1.00 7.26 O ATOM 137 OE2 GLU A 10 -5.100 12.559 -10.194 1.00 7.37 O ATOM 0 H GLU A 10 -4.575 9.049 -14.722 1.00 3.82 H new ATOM 0 HA GLU A 10 -3.039 8.670 -12.183 1.00 3.71 H new ATOM 0 HB2 GLU A 10 -6.054 9.121 -12.266 1.00 4.84 H new ATOM 0 HB3 GLU A 10 -5.078 8.814 -10.843 1.00 4.84 H new ATOM 0 HG2 GLU A 10 -3.703 10.957 -11.731 1.00 5.83 H new ATOM 0 HG3 GLU A 10 -5.208 11.313 -12.556 1.00 5.83 H new ATOM 144 N LYS A 11 -3.981 6.269 -12.085 1.00 3.07 N ATOM 145 CA LYS A 11 -4.286 4.810 -12.277 1.00 3.15 C ATOM 146 C LYS A 11 -4.638 4.170 -10.922 1.00 2.70 C ATOM 147 O LYS A 11 -4.665 4.844 -9.903 1.00 2.70 O ATOM 148 CB LYS A 11 -3.028 4.131 -12.863 1.00 3.07 C ATOM 149 CG LYS A 11 -3.381 2.867 -13.670 1.00 3.95 C ATOM 150 CD LYS A 11 -2.309 1.781 -13.436 1.00 4.05 C ATOM 151 CE LYS A 11 -0.925 2.288 -13.874 1.00 3.70 C ATOM 152 NZ LYS A 11 -0.928 2.714 -15.298 1.00 4.77 N ATOM 0 H LYS A 11 -3.471 6.495 -11.231 1.00 3.07 H new ATOM 0 HA LYS A 11 -5.133 4.686 -12.952 1.00 3.15 H new ATOM 0 HB2 LYS A 11 -2.501 4.836 -13.505 1.00 3.07 H new ATOM 0 HB3 LYS A 11 -2.348 3.867 -12.053 1.00 3.07 H new ATOM 0 HG2 LYS A 11 -4.361 2.495 -13.370 1.00 3.95 H new ATOM 0 HG3 LYS A 11 -3.443 3.107 -14.731 1.00 3.95 H new ATOM 0 HD2 LYS A 11 -2.285 1.506 -12.381 1.00 4.05 H new ATOM 0 HD3 LYS A 11 -2.567 0.881 -13.994 1.00 4.05 H new ATOM 0 HE2 LYS A 11 -0.626 3.125 -13.243 1.00 3.70 H new ATOM 0 HE3 LYS A 11 -0.185 1.501 -13.730 1.00 3.70 H new ATOM 0 HZ1 LYS A 11 -0.067 2.367 -15.766 1.00 4.77 H new ATOM 0 HZ2 LYS A 11 -1.764 2.321 -15.776 1.00 4.77 H new ATOM 0 HZ3 LYS A 11 -0.956 3.752 -15.350 1.00 4.77 H new ATOM 166 N VAL A 12 -4.879 2.883 -10.934 1.00 2.42 N ATOM 167 CA VAL A 12 -5.207 2.150 -9.674 1.00 1.99 C ATOM 168 C VAL A 12 -4.137 1.072 -9.488 1.00 1.74 C ATOM 169 O VAL A 12 -3.666 0.516 -10.455 1.00 2.07 O ATOM 170 CB VAL A 12 -6.596 1.498 -9.805 1.00 2.03 C ATOM 171 CG1 VAL A 12 -6.902 0.686 -8.536 1.00 2.54 C ATOM 172 CG2 VAL A 12 -7.665 2.586 -9.983 1.00 3.04 C ATOM 0 H VAL A 12 -4.862 2.303 -11.773 1.00 2.42 H new ATOM 0 HA VAL A 12 -5.225 2.826 -8.819 1.00 1.99 H new ATOM 0 HB VAL A 12 -6.603 0.839 -10.673 1.00 2.03 H new ATOM 0 HG11 VAL A 12 -7.885 0.224 -8.628 1.00 2.54 H new ATOM 0 HG12 VAL A 12 -6.147 -0.090 -8.410 1.00 2.54 H new ATOM 0 HG13 VAL A 12 -6.891 1.347 -7.670 1.00 2.54 H new ATOM 0 HG21 VAL A 12 -8.646 2.120 -10.075 1.00 3.04 H new ATOM 0 HG22 VAL A 12 -7.658 3.248 -9.117 1.00 3.04 H new ATOM 0 HG23 VAL A 12 -7.451 3.163 -10.883 1.00 3.04 H new ATOM 182 N PHE A 13 -3.766 0.796 -8.278 1.00 1.49 N ATOM 183 CA PHE A 13 -2.721 -0.246 -8.031 1.00 1.43 C ATOM 184 C PHE A 13 -3.210 -1.156 -6.909 1.00 1.03 C ATOM 185 O PHE A 13 -3.984 -0.721 -6.089 1.00 0.94 O ATOM 186 CB PHE A 13 -1.432 0.461 -7.597 1.00 1.82 C ATOM 187 CG PHE A 13 -0.263 0.109 -8.524 1.00 1.08 C ATOM 188 CD1 PHE A 13 0.468 -1.049 -8.322 1.00 1.43 C ATOM 189 CD2 PHE A 13 0.160 1.008 -9.488 1.00 1.69 C ATOM 190 CE1 PHE A 13 1.618 -1.286 -9.047 1.00 1.99 C ATOM 191 CE2 PHE A 13 1.312 0.770 -10.212 1.00 2.11 C ATOM 192 CZ PHE A 13 2.048 -0.373 -9.985 1.00 2.16 C ATOM 0 H PHE A 13 -4.137 1.244 -7.440 1.00 1.49 H new ATOM 0 HA PHE A 13 -2.534 -0.836 -8.928 1.00 1.43 H new ATOM 0 HB2 PHE A 13 -1.588 1.540 -7.599 1.00 1.82 H new ATOM 0 HB3 PHE A 13 -1.186 0.177 -6.574 1.00 1.82 H new ATOM 0 HD1 PHE A 13 0.136 -1.772 -7.592 1.00 1.43 H new ATOM 0 HD2 PHE A 13 -0.415 1.903 -9.675 1.00 1.69 H new ATOM 0 HE1 PHE A 13 2.183 -2.191 -8.878 1.00 1.99 H new ATOM 0 HE2 PHE A 13 1.637 1.481 -10.957 1.00 2.11 H new ATOM 0 HZ PHE A 13 2.957 -0.552 -10.540 1.00 2.16 H new ATOM 202 N ARG A 14 -2.757 -2.385 -6.878 1.00 1.07 N ATOM 203 CA ARG A 14 -3.205 -3.293 -5.781 1.00 1.02 C ATOM 204 C ARG A 14 -2.007 -3.851 -5.020 1.00 1.16 C ATOM 205 O ARG A 14 -0.984 -4.186 -5.603 1.00 1.52 O ATOM 206 CB ARG A 14 -4.018 -4.471 -6.339 1.00 1.16 C ATOM 207 CG ARG A 14 -5.503 -4.079 -6.441 1.00 1.95 C ATOM 208 CD ARG A 14 -6.388 -5.339 -6.456 1.00 1.61 C ATOM 209 NE ARG A 14 -5.984 -6.208 -7.612 1.00 2.08 N ATOM 210 CZ ARG A 14 -5.425 -7.382 -7.433 1.00 2.92 C ATOM 211 NH1 ARG A 14 -4.724 -7.590 -6.356 1.00 3.74 N ATOM 212 NH2 ARG A 14 -5.531 -8.281 -8.366 1.00 4.09 N ATOM 0 H ARG A 14 -2.108 -2.792 -7.552 1.00 1.07 H new ATOM 0 HA ARG A 14 -3.829 -2.704 -5.109 1.00 1.02 H new ATOM 0 HB2 ARG A 14 -3.639 -4.753 -7.321 1.00 1.16 H new ATOM 0 HB3 ARG A 14 -3.906 -5.341 -5.692 1.00 1.16 H new ATOM 0 HG2 ARG A 14 -5.777 -3.444 -5.599 1.00 1.95 H new ATOM 0 HG3 ARG A 14 -5.671 -3.497 -7.347 1.00 1.95 H new ATOM 0 HD2 ARG A 14 -6.281 -5.885 -5.519 1.00 1.61 H new ATOM 0 HD3 ARG A 14 -7.438 -5.060 -6.544 1.00 1.61 H new ATOM 0 HE ARG A 14 -6.149 -5.877 -8.563 1.00 2.08 H new ATOM 0 HH11 ARG A 14 -4.616 -6.846 -5.666 1.00 3.74 H new ATOM 0 HH12 ARG A 14 -4.283 -8.497 -6.202 1.00 3.74 H new ATOM 0 HH21 ARG A 14 -6.043 -8.069 -9.222 1.00 4.09 H new ATOM 0 HH22 ARG A 14 -5.102 -9.198 -8.242 1.00 4.09 H new ATOM 226 N VAL A 15 -2.187 -3.955 -3.729 1.00 1.01 N ATOM 227 CA VAL A 15 -1.125 -4.495 -2.838 1.00 1.11 C ATOM 228 C VAL A 15 -1.759 -5.620 -2.008 1.00 1.05 C ATOM 229 O VAL A 15 -2.972 -5.680 -1.886 1.00 1.25 O ATOM 230 CB VAL A 15 -0.613 -3.362 -1.919 1.00 1.25 C ATOM 231 CG1 VAL A 15 0.755 -3.729 -1.332 1.00 1.84 C ATOM 232 CG2 VAL A 15 -0.489 -2.052 -2.714 1.00 1.56 C ATOM 0 H VAL A 15 -3.044 -3.682 -3.248 1.00 1.01 H new ATOM 0 HA VAL A 15 -0.280 -4.881 -3.408 1.00 1.11 H new ATOM 0 HB VAL A 15 -1.328 -3.228 -1.107 1.00 1.25 H new ATOM 0 HG11 VAL A 15 1.103 -2.922 -0.687 1.00 1.84 H new ATOM 0 HG12 VAL A 15 0.667 -4.646 -0.750 1.00 1.84 H new ATOM 0 HG13 VAL A 15 1.469 -3.880 -2.141 1.00 1.84 H new ATOM 0 HG21 VAL A 15 -0.128 -1.261 -2.057 1.00 1.56 H new ATOM 0 HG22 VAL A 15 0.213 -2.190 -3.536 1.00 1.56 H new ATOM 0 HG23 VAL A 15 -1.465 -1.775 -3.113 1.00 1.56 H new ATOM 242 N ASN A 16 -0.954 -6.474 -1.443 1.00 0.99 N ATOM 243 CA ASN A 16 -1.512 -7.588 -0.620 1.00 1.01 C ATOM 244 C ASN A 16 -1.048 -7.400 0.832 1.00 1.06 C ATOM 245 O ASN A 16 -0.146 -6.632 1.099 1.00 1.80 O ATOM 246 CB ASN A 16 -1.002 -8.925 -1.193 1.00 1.17 C ATOM 247 CG ASN A 16 -2.000 -10.051 -0.896 1.00 1.71 C ATOM 248 OD1 ASN A 16 -2.410 -10.245 0.222 1.00 3.05 O ATOM 249 ND2 ASN A 16 -2.413 -10.823 -1.864 1.00 2.34 N ATOM 0 H ASN A 16 0.063 -6.452 -1.513 1.00 0.99 H new ATOM 0 HA ASN A 16 -2.602 -7.589 -0.644 1.00 1.01 H new ATOM 0 HB2 ASN A 16 -0.856 -8.834 -2.269 1.00 1.17 H new ATOM 0 HB3 ASN A 16 -0.032 -9.167 -0.759 1.00 1.17 H new ATOM 0 HD21 ASN A 16 -3.072 -11.576 -1.669 1.00 2.34 H new ATOM 0 HD22 ASN A 16 -2.076 -10.673 -2.815 1.00 2.34 H new ATOM 256 N VAL A 17 -1.699 -8.075 1.730 1.00 0.85 N ATOM 257 CA VAL A 17 -1.345 -7.966 3.179 1.00 0.81 C ATOM 258 C VAL A 17 -1.314 -9.364 3.760 1.00 0.87 C ATOM 259 O VAL A 17 -2.356 -9.986 3.800 1.00 0.99 O ATOM 260 CB VAL A 17 -2.441 -7.166 3.912 1.00 0.80 C ATOM 261 CG1 VAL A 17 -2.146 -7.090 5.415 1.00 1.25 C ATOM 262 CG2 VAL A 17 -2.506 -5.750 3.352 1.00 1.41 C ATOM 0 H VAL A 17 -2.473 -8.708 1.526 1.00 0.85 H new ATOM 0 HA VAL A 17 -0.381 -7.470 3.293 1.00 0.81 H new ATOM 0 HB VAL A 17 -3.393 -7.675 3.760 1.00 0.80 H new ATOM 0 HG11 VAL A 17 -2.932 -6.521 5.912 1.00 1.25 H new ATOM 0 HG12 VAL A 17 -2.109 -8.097 5.830 1.00 1.25 H new ATOM 0 HG13 VAL A 17 -1.187 -6.597 5.573 1.00 1.25 H new ATOM 0 HG21 VAL A 17 -3.282 -5.188 3.873 1.00 1.41 H new ATOM 0 HG22 VAL A 17 -1.544 -5.258 3.494 1.00 1.41 H new ATOM 0 HG23 VAL A 17 -2.739 -5.790 2.288 1.00 1.41 H new ATOM 272 N GLU A 18 -0.191 -9.841 4.221 1.00 0.99 N ATOM 273 CA GLU A 18 -0.221 -11.216 4.795 1.00 1.05 C ATOM 274 C GLU A 18 -0.451 -11.127 6.312 1.00 0.97 C ATOM 275 O GLU A 18 -1.228 -11.894 6.854 1.00 1.01 O ATOM 276 CB GLU A 18 1.084 -11.955 4.449 1.00 1.28 C ATOM 277 CG GLU A 18 0.769 -13.463 4.299 1.00 2.47 C ATOM 278 CD GLU A 18 1.829 -14.198 3.455 1.00 3.28 C ATOM 279 OE1 GLU A 18 2.509 -13.520 2.693 1.00 3.90 O ATOM 280 OE2 GLU A 18 1.865 -15.416 3.581 1.00 4.09 O ATOM 0 H GLU A 18 0.710 -9.363 4.227 1.00 0.99 H new ATOM 0 HA GLU A 18 -1.042 -11.788 4.364 1.00 1.05 H new ATOM 0 HB2 GLU A 18 1.508 -11.563 3.525 1.00 1.28 H new ATOM 0 HB3 GLU A 18 1.827 -11.799 5.232 1.00 1.28 H new ATOM 0 HG2 GLU A 18 0.712 -13.921 5.287 1.00 2.47 H new ATOM 0 HG3 GLU A 18 -0.210 -13.584 3.835 1.00 2.47 H new ATOM 287 N ASP A 19 0.182 -10.171 6.965 1.00 1.01 N ATOM 288 CA ASP A 19 -0.016 -10.027 8.457 1.00 1.15 C ATOM 289 C ASP A 19 0.533 -8.701 8.948 1.00 1.05 C ATOM 290 O ASP A 19 0.634 -7.728 8.217 1.00 1.29 O ATOM 291 CB ASP A 19 0.721 -11.128 9.256 1.00 1.48 C ATOM 292 CG ASP A 19 -0.182 -11.715 10.357 1.00 3.38 C ATOM 293 OD1 ASP A 19 -0.695 -10.922 11.136 1.00 4.59 O ATOM 294 OD2 ASP A 19 -0.287 -12.925 10.376 1.00 4.42 O ATOM 0 H ASP A 19 0.817 -9.494 6.541 1.00 1.01 H new ATOM 0 HA ASP A 19 -1.091 -10.102 8.620 1.00 1.15 H new ATOM 0 HB2 ASP A 19 1.037 -11.922 8.580 1.00 1.48 H new ATOM 0 HB3 ASP A 19 1.624 -10.713 9.705 1.00 1.48 H new ATOM 299 N GLU A 20 0.856 -8.728 10.209 1.00 1.05 N ATOM 300 CA GLU A 20 1.433 -7.532 10.879 1.00 1.17 C ATOM 301 C GLU A 20 2.491 -6.891 9.984 1.00 0.95 C ATOM 302 O GLU A 20 2.370 -5.751 9.631 1.00 0.80 O ATOM 303 CB GLU A 20 2.069 -7.963 12.215 1.00 1.41 C ATOM 304 CG GLU A 20 2.702 -6.751 12.930 1.00 3.10 C ATOM 305 CD GLU A 20 4.234 -6.894 12.971 1.00 5.24 C ATOM 306 OE1 GLU A 20 4.829 -6.673 11.929 1.00 6.15 O ATOM 307 OE2 GLU A 20 4.722 -7.218 14.041 1.00 6.34 O ATOM 0 H GLU A 20 0.743 -9.542 10.813 1.00 1.05 H new ATOM 0 HA GLU A 20 0.645 -6.803 11.065 1.00 1.17 H new ATOM 0 HB2 GLU A 20 1.312 -8.415 12.855 1.00 1.41 H new ATOM 0 HB3 GLU A 20 2.829 -8.723 12.034 1.00 1.41 H new ATOM 0 HG2 GLU A 20 2.430 -5.832 12.412 1.00 3.10 H new ATOM 0 HG3 GLU A 20 2.310 -6.673 13.944 1.00 3.10 H new ATOM 314 N ASN A 21 3.479 -7.658 9.623 1.00 1.00 N ATOM 315 CA ASN A 21 4.581 -7.126 8.769 1.00 0.92 C ATOM 316 C ASN A 21 4.049 -6.142 7.718 1.00 0.82 C ATOM 317 O ASN A 21 4.408 -4.972 7.714 1.00 0.87 O ATOM 318 CB ASN A 21 5.269 -8.329 8.111 1.00 0.98 C ATOM 319 CG ASN A 21 6.419 -7.891 7.199 1.00 1.38 C ATOM 320 OD1 ASN A 21 7.090 -8.711 6.612 1.00 2.41 O ATOM 321 ND2 ASN A 21 6.687 -6.635 7.028 1.00 2.03 N ATOM 0 H ASN A 21 3.573 -8.640 9.884 1.00 1.00 H new ATOM 0 HA ASN A 21 5.294 -6.567 9.375 1.00 0.92 H new ATOM 0 HB2 ASN A 21 5.650 -8.998 8.883 1.00 0.98 H new ATOM 0 HB3 ASN A 21 4.539 -8.894 7.531 1.00 0.98 H new ATOM 0 HD21 ASN A 21 7.449 -6.356 6.410 1.00 2.03 H new ATOM 0 HD22 ASN A 21 6.136 -5.926 7.511 1.00 2.03 H new ATOM 328 N ASP A 22 3.227 -6.653 6.853 1.00 0.78 N ATOM 329 CA ASP A 22 2.621 -5.814 5.790 1.00 0.79 C ATOM 330 C ASP A 22 1.944 -4.603 6.411 1.00 0.85 C ATOM 331 O ASP A 22 2.113 -3.497 5.950 1.00 1.00 O ATOM 332 CB ASP A 22 1.563 -6.643 5.059 1.00 0.85 C ATOM 333 CG ASP A 22 2.182 -7.899 4.464 1.00 2.08 C ATOM 334 OD1 ASP A 22 2.606 -8.700 5.275 1.00 3.53 O ATOM 335 OD2 ASP A 22 2.112 -8.042 3.257 1.00 2.58 O ATOM 0 H ASP A 22 2.944 -7.633 6.837 1.00 0.78 H new ATOM 0 HA ASP A 22 3.397 -5.483 5.100 1.00 0.79 H new ATOM 0 HB2 ASP A 22 0.766 -6.917 5.751 1.00 0.85 H new ATOM 0 HB3 ASP A 22 1.108 -6.046 4.269 1.00 0.85 H new ATOM 340 N ILE A 23 1.170 -4.849 7.434 1.00 0.83 N ATOM 341 CA ILE A 23 0.466 -3.721 8.092 1.00 0.94 C ATOM 342 C ILE A 23 1.490 -2.689 8.557 1.00 0.91 C ATOM 343 O ILE A 23 1.414 -1.552 8.143 1.00 0.94 O ATOM 344 CB ILE A 23 -0.357 -4.258 9.270 1.00 1.07 C ATOM 345 CG1 ILE A 23 -1.418 -5.227 8.706 1.00 1.11 C ATOM 346 CG2 ILE A 23 -1.040 -3.080 9.979 1.00 1.29 C ATOM 347 CD1 ILE A 23 -2.232 -5.857 9.835 1.00 1.26 C ATOM 0 H ILE A 23 0.999 -5.771 7.835 1.00 0.83 H new ATOM 0 HA ILE A 23 -0.213 -3.237 7.390 1.00 0.94 H new ATOM 0 HB ILE A 23 0.278 -4.780 9.986 1.00 1.07 H new ATOM 0 HG12 ILE A 23 -2.082 -4.691 8.028 1.00 1.11 H new ATOM 0 HG13 ILE A 23 -0.930 -6.008 8.123 1.00 1.11 H new ATOM 0 HG21 ILE A 23 -1.628 -3.452 10.818 1.00 1.29 H new ATOM 0 HG22 ILE A 23 -0.283 -2.387 10.345 1.00 1.29 H new ATOM 0 HG23 ILE A 23 -1.695 -2.564 9.278 1.00 1.29 H new ATOM 0 HD11 ILE A 23 -2.973 -6.536 9.414 1.00 1.26 H new ATOM 0 HD12 ILE A 23 -1.567 -6.411 10.497 1.00 1.26 H new ATOM 0 HD13 ILE A 23 -2.737 -5.074 10.400 1.00 1.26 H new ATOM 359 N SER A 24 2.391 -3.107 9.424 1.00 0.94 N ATOM 360 CA SER A 24 3.454 -2.194 9.938 1.00 0.94 C ATOM 361 C SER A 24 3.953 -1.301 8.793 1.00 0.89 C ATOM 362 O SER A 24 3.946 -0.080 8.879 1.00 1.10 O ATOM 363 CB SER A 24 4.605 -3.063 10.489 1.00 0.93 C ATOM 364 OG SER A 24 3.978 -3.936 11.440 1.00 1.30 O ATOM 0 H SER A 24 2.429 -4.055 9.798 1.00 0.94 H new ATOM 0 HA SER A 24 3.067 -1.553 10.730 1.00 0.94 H new ATOM 0 HB2 SER A 24 5.091 -3.628 9.693 1.00 0.93 H new ATOM 0 HB3 SER A 24 5.373 -2.450 10.960 1.00 0.93 H new ATOM 0 HG SER A 24 4.439 -4.801 11.444 1.00 1.30 H new ATOM 370 N GLU A 25 4.309 -1.972 7.727 1.00 0.76 N ATOM 371 CA GLU A 25 4.825 -1.296 6.503 1.00 0.84 C ATOM 372 C GLU A 25 3.750 -0.412 5.860 1.00 0.98 C ATOM 373 O GLU A 25 3.893 0.794 5.810 1.00 1.24 O ATOM 374 CB GLU A 25 5.247 -2.401 5.544 1.00 0.92 C ATOM 375 CG GLU A 25 6.466 -3.132 6.113 1.00 1.14 C ATOM 376 CD GLU A 25 7.089 -3.943 4.987 1.00 1.86 C ATOM 377 OE1 GLU A 25 7.661 -3.294 4.136 1.00 2.73 O ATOM 378 OE2 GLU A 25 6.912 -5.148 4.993 1.00 2.96 O ATOM 0 H GLU A 25 4.261 -2.988 7.655 1.00 0.76 H new ATOM 0 HA GLU A 25 5.661 -0.642 6.750 1.00 0.84 H new ATOM 0 HB2 GLU A 25 4.426 -3.102 5.396 1.00 0.92 H new ATOM 0 HB3 GLU A 25 5.486 -1.979 4.568 1.00 0.92 H new ATOM 0 HG2 GLU A 25 7.186 -2.419 6.514 1.00 1.14 H new ATOM 0 HG3 GLU A 25 6.171 -3.784 6.935 1.00 1.14 H new ATOM 385 N LEU A 26 2.731 -1.026 5.312 1.00 0.85 N ATOM 386 CA LEU A 26 1.626 -0.289 4.695 1.00 1.07 C ATOM 387 C LEU A 26 1.255 0.933 5.547 1.00 1.11 C ATOM 388 O LEU A 26 0.905 1.972 5.029 1.00 1.42 O ATOM 389 CB LEU A 26 0.490 -1.312 4.599 1.00 1.22 C ATOM 390 CG LEU A 26 -0.287 -1.095 3.322 1.00 1.19 C ATOM 391 CD1 LEU A 26 0.594 -1.372 2.099 1.00 2.12 C ATOM 392 CD2 LEU A 26 -1.514 -2.019 3.294 1.00 2.30 C ATOM 0 H LEU A 26 2.632 -2.041 5.274 1.00 0.85 H new ATOM 0 HA LEU A 26 1.872 0.114 3.713 1.00 1.07 H new ATOM 0 HB2 LEU A 26 0.896 -2.323 4.621 1.00 1.22 H new ATOM 0 HB3 LEU A 26 -0.172 -1.216 5.459 1.00 1.22 H new ATOM 0 HG LEU A 26 -0.613 -0.055 3.289 1.00 1.19 H new ATOM 0 HD11 LEU A 26 0.015 -1.210 1.190 1.00 2.12 H new ATOM 0 HD12 LEU A 26 1.451 -0.699 2.108 1.00 2.12 H new ATOM 0 HD13 LEU A 26 0.943 -2.404 2.128 1.00 2.12 H new ATOM 0 HD21 LEU A 26 -2.070 -1.858 2.371 1.00 2.30 H new ATOM 0 HD22 LEU A 26 -1.188 -3.058 3.345 1.00 2.30 H new ATOM 0 HD23 LEU A 26 -2.155 -1.798 4.147 1.00 2.30 H new ATOM 404 N HIS A 27 1.359 0.759 6.839 1.00 0.91 N ATOM 405 CA HIS A 27 1.056 1.869 7.796 1.00 1.00 C ATOM 406 C HIS A 27 2.124 2.933 7.598 1.00 0.94 C ATOM 407 O HIS A 27 1.814 4.054 7.244 1.00 0.95 O ATOM 408 CB HIS A 27 1.125 1.342 9.242 1.00 1.03 C ATOM 409 CG HIS A 27 -0.182 1.445 10.021 1.00 1.07 C ATOM 410 ND1 HIS A 27 -0.419 2.447 10.820 1.00 1.66 N ATOM 411 CD2 HIS A 27 -1.274 0.626 10.092 1.00 1.31 C ATOM 412 CE1 HIS A 27 -1.591 2.280 11.374 1.00 1.81 C ATOM 413 NE2 HIS A 27 -2.111 1.165 10.926 1.00 1.45 N ATOM 0 H HIS A 27 1.645 -0.116 7.279 1.00 0.91 H new ATOM 0 HA HIS A 27 0.059 2.272 7.619 1.00 1.00 H new ATOM 0 HB2 HIS A 27 1.437 0.298 9.219 1.00 1.03 H new ATOM 0 HB3 HIS A 27 1.897 1.894 9.779 1.00 1.03 H new ATOM 0 HD1 HIS A 27 0.208 3.234 10.986 1.00 1.66 H new ATOM 0 HD2 HIS A 27 -1.415 -0.299 9.553 1.00 1.31 H new ATOM 0 HE1 HIS A 27 -2.054 2.950 12.083 1.00 1.81 H new ATOM 421 N GLU A 28 3.349 2.527 7.868 1.00 1.04 N ATOM 422 CA GLU A 28 4.554 3.412 7.721 1.00 1.05 C ATOM 423 C GLU A 28 4.279 4.486 6.661 1.00 1.15 C ATOM 424 O GLU A 28 4.330 5.679 6.915 1.00 1.41 O ATOM 425 CB GLU A 28 5.728 2.516 7.264 1.00 0.92 C ATOM 426 CG GLU A 28 7.087 3.077 7.707 1.00 1.55 C ATOM 427 CD GLU A 28 7.394 2.626 9.143 1.00 2.68 C ATOM 428 OE1 GLU A 28 6.695 3.112 10.015 1.00 3.70 O ATOM 429 OE2 GLU A 28 8.305 1.820 9.281 1.00 3.43 O ATOM 0 H GLU A 28 3.567 1.586 8.195 1.00 1.04 H new ATOM 0 HA GLU A 28 4.789 3.908 8.663 1.00 1.05 H new ATOM 0 HB2 GLU A 28 5.599 1.514 7.672 1.00 0.92 H new ATOM 0 HB3 GLU A 28 5.711 2.422 6.178 1.00 0.92 H new ATOM 0 HG2 GLU A 28 7.870 2.732 7.032 1.00 1.55 H new ATOM 0 HG3 GLU A 28 7.076 4.166 7.653 1.00 1.55 H new ATOM 436 N LEU A 29 3.983 3.987 5.491 1.00 1.04 N ATOM 437 CA LEU A 29 3.681 4.841 4.304 1.00 1.13 C ATOM 438 C LEU A 29 2.777 6.045 4.617 1.00 1.31 C ATOM 439 O LEU A 29 3.176 7.176 4.393 1.00 1.82 O ATOM 440 CB LEU A 29 3.014 3.923 3.274 1.00 1.33 C ATOM 441 CG LEU A 29 2.331 4.700 2.139 1.00 1.84 C ATOM 442 CD1 LEU A 29 3.294 5.701 1.484 1.00 1.73 C ATOM 443 CD2 LEU A 29 1.885 3.679 1.091 1.00 2.50 C ATOM 0 H LEU A 29 3.937 2.986 5.303 1.00 1.04 H new ATOM 0 HA LEU A 29 4.608 5.279 3.935 1.00 1.13 H new ATOM 0 HB2 LEU A 29 3.764 3.254 2.851 1.00 1.33 H new ATOM 0 HB3 LEU A 29 2.276 3.297 3.776 1.00 1.33 H new ATOM 0 HG LEU A 29 1.489 5.263 2.541 1.00 1.84 H new ATOM 0 HD11 LEU A 29 2.778 6.233 0.685 1.00 1.73 H new ATOM 0 HD12 LEU A 29 3.640 6.415 2.231 1.00 1.73 H new ATOM 0 HD13 LEU A 29 4.149 5.166 1.070 1.00 1.73 H new ATOM 0 HD21 LEU A 29 1.394 4.195 0.266 1.00 2.50 H new ATOM 0 HD22 LEU A 29 2.755 3.140 0.715 1.00 2.50 H new ATOM 0 HD23 LEU A 29 1.188 2.973 1.544 1.00 2.50 H new ATOM 455 N ALA A 30 1.587 5.766 5.099 1.00 1.16 N ATOM 456 CA ALA A 30 0.604 6.857 5.417 1.00 1.43 C ATOM 457 C ALA A 30 1.314 8.149 5.856 1.00 1.44 C ATOM 458 O ALA A 30 0.972 9.227 5.426 1.00 1.63 O ATOM 459 CB ALA A 30 -0.340 6.372 6.523 1.00 1.79 C ATOM 0 H ALA A 30 1.251 4.822 5.288 1.00 1.16 H new ATOM 0 HA ALA A 30 0.037 7.087 4.515 1.00 1.43 H new ATOM 0 HB1 ALA A 30 -1.057 7.158 6.760 1.00 1.79 H new ATOM 0 HB2 ALA A 30 -0.874 5.485 6.183 1.00 1.79 H new ATOM 0 HB3 ALA A 30 0.238 6.128 7.414 1.00 1.79 H new ATOM 465 N SER A 31 2.265 7.999 6.738 1.00 1.69 N ATOM 466 CA SER A 31 3.057 9.171 7.232 1.00 1.93 C ATOM 467 C SER A 31 3.418 10.135 6.092 1.00 1.82 C ATOM 468 O SER A 31 3.184 11.319 6.185 1.00 2.28 O ATOM 469 CB SER A 31 4.340 8.644 7.865 1.00 2.39 C ATOM 470 OG SER A 31 3.881 7.613 8.726 1.00 2.59 O ATOM 0 H SER A 31 2.533 7.103 7.145 1.00 1.69 H new ATOM 0 HA SER A 31 2.454 9.721 7.954 1.00 1.93 H new ATOM 0 HB2 SER A 31 5.032 8.262 7.114 1.00 2.39 H new ATOM 0 HB3 SER A 31 4.866 9.424 8.416 1.00 2.39 H new ATOM 0 HG SER A 31 4.092 6.740 8.333 1.00 2.59 H new ATOM 476 N THR A 32 3.977 9.598 5.035 1.00 1.59 N ATOM 477 CA THR A 32 4.373 10.471 3.876 1.00 1.88 C ATOM 478 C THR A 32 3.354 10.355 2.733 1.00 1.91 C ATOM 479 O THR A 32 3.649 10.701 1.609 1.00 2.37 O ATOM 480 CB THR A 32 5.760 10.036 3.363 1.00 2.13 C ATOM 481 OG1 THR A 32 5.664 8.641 3.074 1.00 2.58 O ATOM 482 CG2 THR A 32 6.836 10.133 4.451 1.00 2.42 C ATOM 0 H THR A 32 4.176 8.604 4.921 1.00 1.59 H new ATOM 0 HA THR A 32 4.403 11.507 4.214 1.00 1.88 H new ATOM 0 HB THR A 32 6.027 10.671 2.518 1.00 2.13 H new ATOM 0 HG1 THR A 32 6.526 8.316 2.741 1.00 2.58 H new ATOM 0 HG21 THR A 32 7.796 9.816 4.043 1.00 2.42 H new ATOM 0 HG22 THR A 32 6.911 11.164 4.797 1.00 2.42 H new ATOM 0 HG23 THR A 32 6.567 9.488 5.287 1.00 2.42 H new ATOM 490 N ARG A 33 2.189 9.882 3.090 1.00 2.19 N ATOM 491 CA ARG A 33 1.048 9.678 2.141 1.00 2.69 C ATOM 492 C ARG A 33 1.309 10.138 0.685 1.00 1.48 C ATOM 493 O ARG A 33 0.678 11.071 0.223 1.00 2.15 O ATOM 494 CB ARG A 33 -0.151 10.447 2.709 1.00 4.45 C ATOM 495 CG ARG A 33 -1.435 9.883 2.105 1.00 5.70 C ATOM 496 CD ARG A 33 -2.577 10.883 2.293 1.00 7.36 C ATOM 497 NE ARG A 33 -3.812 10.284 1.708 1.00 8.02 N ATOM 498 CZ ARG A 33 -4.187 10.610 0.500 1.00 8.39 C ATOM 499 NH1 ARG A 33 -3.285 10.776 -0.403 1.00 7.77 N ATOM 500 NH2 ARG A 33 -5.447 10.728 0.235 1.00 9.75 N ATOM 0 H ARG A 33 1.970 9.615 4.050 1.00 2.19 H new ATOM 0 HA ARG A 33 0.878 8.604 2.067 1.00 2.69 H new ATOM 0 HB2 ARG A 33 -0.175 10.358 3.795 1.00 4.45 H new ATOM 0 HB3 ARG A 33 -0.061 11.508 2.478 1.00 4.45 H new ATOM 0 HG2 ARG A 33 -1.290 9.678 1.044 1.00 5.70 H new ATOM 0 HG3 ARG A 33 -1.687 8.935 2.581 1.00 5.70 H new ATOM 0 HD2 ARG A 33 -2.723 11.101 3.351 1.00 7.36 H new ATOM 0 HD3 ARG A 33 -2.342 11.827 1.802 1.00 7.36 H new ATOM 0 HE ARG A 33 -4.363 9.620 2.251 1.00 8.02 H new ATOM 0 HH11 ARG A 33 -2.300 10.653 -0.169 1.00 7.77 H new ATOM 0 HH12 ARG A 33 -3.555 11.031 -1.353 1.00 7.77 H new ATOM 0 HH21 ARG A 33 -6.139 10.567 0.967 1.00 9.75 H new ATOM 0 HH22 ARG A 33 -5.749 10.982 -0.706 1.00 9.75 H new ATOM 514 N GLN A 34 2.190 9.461 -0.024 1.00 1.80 N ATOM 515 CA GLN A 34 2.450 9.878 -1.448 1.00 2.75 C ATOM 516 C GLN A 34 1.327 9.341 -2.353 1.00 2.34 C ATOM 517 O GLN A 34 1.226 9.700 -3.505 1.00 2.54 O ATOM 518 CB GLN A 34 3.792 9.305 -1.964 1.00 4.43 C ATOM 519 CG GLN A 34 4.986 9.768 -1.108 1.00 5.26 C ATOM 520 CD GLN A 34 6.304 9.436 -1.845 1.00 6.86 C ATOM 521 OE1 GLN A 34 6.684 10.090 -2.793 1.00 7.44 O ATOM 522 NE2 GLN A 34 7.025 8.422 -1.462 1.00 8.14 N ATOM 0 H GLN A 34 2.727 8.660 0.309 1.00 1.80 H new ATOM 0 HA GLN A 34 2.489 10.967 -1.474 1.00 2.75 H new ATOM 0 HB2 GLN A 34 3.746 8.216 -1.962 1.00 4.43 H new ATOM 0 HB3 GLN A 34 3.945 9.616 -2.998 1.00 4.43 H new ATOM 0 HG2 GLN A 34 4.920 10.840 -0.922 1.00 5.26 H new ATOM 0 HG3 GLN A 34 4.965 9.274 -0.137 1.00 5.26 H new ATOM 0 HE21 GLN A 34 6.728 7.856 -0.667 1.00 8.14 H new ATOM 0 HE22 GLN A 34 7.887 8.194 -1.956 1.00 8.14 H new ATOM 531 N ILE A 35 0.509 8.499 -1.788 1.00 1.88 N ATOM 532 CA ILE A 35 -0.613 7.875 -2.545 1.00 1.52 C ATOM 533 C ILE A 35 -1.952 8.112 -1.861 1.00 1.30 C ATOM 534 O ILE A 35 -2.021 8.746 -0.825 1.00 1.52 O ATOM 535 CB ILE A 35 -0.382 6.356 -2.599 1.00 1.46 C ATOM 536 CG1 ILE A 35 -0.072 5.787 -1.184 1.00 1.43 C ATOM 537 CG2 ILE A 35 0.779 6.051 -3.535 1.00 1.93 C ATOM 538 CD1 ILE A 35 -1.361 5.609 -0.371 1.00 1.83 C ATOM 0 H ILE A 35 0.572 8.210 -0.812 1.00 1.88 H new ATOM 0 HA ILE A 35 -0.638 8.321 -3.539 1.00 1.52 H new ATOM 0 HB ILE A 35 -1.292 5.883 -2.968 1.00 1.46 H new ATOM 0 HG12 ILE A 35 0.439 4.829 -1.277 1.00 1.43 H new ATOM 0 HG13 ILE A 35 0.605 6.460 -0.657 1.00 1.43 H new ATOM 0 HG21 ILE A 35 0.942 4.974 -3.573 1.00 1.93 H new ATOM 0 HG22 ILE A 35 0.547 6.418 -4.535 1.00 1.93 H new ATOM 0 HG23 ILE A 35 1.680 6.542 -3.169 1.00 1.93 H new ATOM 0 HD11 ILE A 35 -1.118 5.210 0.614 1.00 1.83 H new ATOM 0 HD12 ILE A 35 -1.857 6.573 -0.260 1.00 1.83 H new ATOM 0 HD13 ILE A 35 -2.025 4.917 -0.889 1.00 1.83 H new ATOM 550 N ASP A 36 -2.972 7.545 -2.459 1.00 1.16 N ATOM 551 CA ASP A 36 -4.362 7.614 -1.919 1.00 1.07 C ATOM 552 C ASP A 36 -4.883 6.166 -1.884 1.00 0.91 C ATOM 553 O ASP A 36 -4.377 5.327 -2.625 1.00 0.98 O ATOM 554 CB ASP A 36 -5.269 8.439 -2.850 1.00 1.24 C ATOM 555 CG ASP A 36 -4.944 9.928 -2.771 1.00 2.35 C ATOM 556 OD1 ASP A 36 -3.795 10.255 -2.998 1.00 3.59 O ATOM 557 OD2 ASP A 36 -5.862 10.673 -2.490 1.00 3.07 O ATOM 0 H ASP A 36 -2.892 7.020 -3.330 1.00 1.16 H new ATOM 0 HA ASP A 36 -4.366 8.084 -0.936 1.00 1.07 H new ATOM 0 HB2 ASP A 36 -5.149 8.093 -3.877 1.00 1.24 H new ATOM 0 HB3 ASP A 36 -6.313 8.278 -2.579 1.00 1.24 H new ATOM 562 N PHE A 37 -5.898 5.910 -1.102 1.00 0.90 N ATOM 563 CA PHE A 37 -6.445 4.522 -1.039 1.00 0.82 C ATOM 564 C PHE A 37 -7.829 4.527 -1.691 1.00 0.91 C ATOM 565 O PHE A 37 -8.411 5.580 -1.888 1.00 1.39 O ATOM 566 CB PHE A 37 -6.570 4.064 0.427 1.00 0.90 C ATOM 567 CG PHE A 37 -5.205 4.094 1.142 1.00 0.81 C ATOM 568 CD1 PHE A 37 -4.153 3.324 0.694 1.00 1.28 C ATOM 569 CD2 PHE A 37 -5.033 4.870 2.275 1.00 1.40 C ATOM 570 CE1 PHE A 37 -2.948 3.319 1.369 1.00 1.47 C ATOM 571 CE2 PHE A 37 -3.825 4.869 2.950 1.00 1.64 C ATOM 572 CZ PHE A 37 -2.783 4.092 2.497 1.00 1.38 C ATOM 0 H PHE A 37 -6.369 6.594 -0.509 1.00 0.90 H new ATOM 0 HA PHE A 37 -5.777 3.836 -1.560 1.00 0.82 H new ATOM 0 HB2 PHE A 37 -7.273 4.710 0.953 1.00 0.90 H new ATOM 0 HB3 PHE A 37 -6.979 3.054 0.461 1.00 0.90 H new ATOM 0 HD1 PHE A 37 -4.272 2.719 -0.193 1.00 1.28 H new ATOM 0 HD2 PHE A 37 -5.848 5.481 2.635 1.00 1.40 H new ATOM 0 HE1 PHE A 37 -2.133 2.707 1.011 1.00 1.47 H new ATOM 0 HE2 PHE A 37 -3.700 5.478 3.833 1.00 1.64 H new ATOM 0 HZ PHE A 37 -1.840 4.088 3.024 1.00 1.38 H new ATOM 582 N TRP A 38 -8.306 3.359 -2.034 1.00 0.78 N ATOM 583 CA TRP A 38 -9.658 3.249 -2.679 1.00 0.90 C ATOM 584 C TRP A 38 -10.478 2.171 -1.954 1.00 0.88 C ATOM 585 O TRP A 38 -11.626 2.386 -1.616 1.00 1.06 O ATOM 586 CB TRP A 38 -9.470 2.898 -4.167 1.00 1.00 C ATOM 587 CG TRP A 38 -10.712 2.998 -5.072 1.00 1.54 C ATOM 588 CD1 TRP A 38 -11.761 3.873 -4.937 1.00 2.33 C ATOM 589 CD2 TRP A 38 -10.993 2.323 -6.242 1.00 2.06 C ATOM 590 NE1 TRP A 38 -12.596 3.738 -5.932 1.00 3.12 N ATOM 591 CE2 TRP A 38 -12.182 2.806 -6.767 1.00 2.99 C ATOM 592 CE3 TRP A 38 -10.275 1.333 -6.891 1.00 2.14 C ATOM 593 CZ2 TRP A 38 -12.680 2.311 -7.945 1.00 3.74 C ATOM 594 CZ3 TRP A 38 -10.791 0.841 -8.085 1.00 2.95 C ATOM 595 CH2 TRP A 38 -11.982 1.324 -8.605 1.00 3.65 C ATOM 0 H TRP A 38 -7.820 2.472 -1.897 1.00 0.78 H new ATOM 0 HA TRP A 38 -10.197 4.194 -2.608 1.00 0.90 H new ATOM 0 HB2 TRP A 38 -8.700 3.553 -4.575 1.00 1.00 H new ATOM 0 HB3 TRP A 38 -9.087 1.879 -4.229 1.00 1.00 H new ATOM 0 HD1 TRP A 38 -11.879 4.574 -4.124 1.00 2.33 H new ATOM 0 HE1 TRP A 38 -13.452 4.280 -6.047 1.00 3.12 H new ATOM 0 HE3 TRP A 38 -9.348 0.956 -6.485 1.00 2.14 H new ATOM 0 HZ2 TRP A 38 -13.607 2.690 -8.350 1.00 3.74 H new ATOM 0 HZ3 TRP A 38 -10.254 0.069 -8.617 1.00 2.95 H new ATOM 0 HH2 TRP A 38 -12.364 0.924 -9.533 1.00 3.65 H new ATOM 606 N LYS A 39 -9.874 1.016 -1.774 1.00 0.82 N ATOM 607 CA LYS A 39 -10.564 -0.109 -1.055 1.00 0.91 C ATOM 608 C LYS A 39 -9.541 -0.865 -0.178 1.00 0.88 C ATOM 609 O LYS A 39 -8.651 -1.500 -0.720 1.00 1.09 O ATOM 610 CB LYS A 39 -11.156 -1.101 -2.072 1.00 1.08 C ATOM 611 CG LYS A 39 -11.804 -2.280 -1.312 1.00 2.57 C ATOM 612 CD LYS A 39 -11.894 -3.545 -2.188 1.00 3.24 C ATOM 613 CE LYS A 39 -10.528 -3.949 -2.788 1.00 4.14 C ATOM 614 NZ LYS A 39 -9.379 -3.712 -1.852 1.00 5.07 N ATOM 0 H LYS A 39 -8.930 0.803 -2.095 1.00 0.82 H new ATOM 0 HA LYS A 39 -11.360 0.307 -0.437 1.00 0.91 H new ATOM 0 HB2 LYS A 39 -11.898 -0.602 -2.695 1.00 1.08 H new ATOM 0 HB3 LYS A 39 -10.375 -1.467 -2.738 1.00 1.08 H new ATOM 0 HG2 LYS A 39 -11.223 -2.499 -0.416 1.00 2.57 H new ATOM 0 HG3 LYS A 39 -12.803 -1.995 -0.982 1.00 2.57 H new ATOM 0 HD2 LYS A 39 -12.283 -4.370 -1.591 1.00 3.24 H new ATOM 0 HD3 LYS A 39 -12.605 -3.374 -2.996 1.00 3.24 H new ATOM 0 HE2 LYS A 39 -10.555 -5.004 -3.060 1.00 4.14 H new ATOM 0 HE3 LYS A 39 -10.362 -3.387 -3.707 1.00 4.14 H new ATOM 0 HZ1 LYS A 39 -8.492 -4.002 -2.311 1.00 5.07 H new ATOM 0 HZ2 LYS A 39 -9.330 -2.701 -1.611 1.00 5.07 H new ATOM 0 HZ3 LYS A 39 -9.518 -4.268 -0.984 1.00 5.07 H new ATOM 628 N PRO A 40 -9.704 -0.884 1.136 1.00 1.04 N ATOM 629 CA PRO A 40 -10.706 -0.085 1.895 1.00 1.34 C ATOM 630 C PRO A 40 -10.391 1.417 1.803 1.00 1.70 C ATOM 631 O PRO A 40 -9.896 1.867 0.788 1.00 2.54 O ATOM 632 CB PRO A 40 -10.587 -0.622 3.337 1.00 1.91 C ATOM 633 CG PRO A 40 -9.841 -1.968 3.223 1.00 1.71 C ATOM 634 CD PRO A 40 -8.937 -1.815 1.998 1.00 1.38 C ATOM 0 HA PRO A 40 -11.720 -0.183 1.507 1.00 1.34 H new ATOM 0 HB2 PRO A 40 -10.040 0.076 3.971 1.00 1.91 H new ATOM 0 HB3 PRO A 40 -11.571 -0.757 3.787 1.00 1.91 H new ATOM 0 HG2 PRO A 40 -9.258 -2.174 4.121 1.00 1.71 H new ATOM 0 HG3 PRO A 40 -10.538 -2.797 3.099 1.00 1.71 H new ATOM 0 HD2 PRO A 40 -7.961 -1.409 2.264 1.00 1.38 H new ATOM 0 HD3 PRO A 40 -8.760 -2.770 1.504 1.00 1.38 H new ATOM 642 N ASP A 41 -10.674 2.147 2.847 1.00 1.72 N ATOM 643 CA ASP A 41 -10.406 3.615 2.827 1.00 2.35 C ATOM 644 C ASP A 41 -9.201 3.977 3.705 1.00 1.96 C ATOM 645 O ASP A 41 -8.311 4.690 3.279 1.00 2.46 O ATOM 646 CB ASP A 41 -11.648 4.333 3.369 1.00 3.27 C ATOM 647 CG ASP A 41 -11.812 4.013 4.861 1.00 3.45 C ATOM 648 OD1 ASP A 41 -11.865 2.829 5.164 1.00 3.78 O ATOM 649 OD2 ASP A 41 -11.803 4.960 5.623 1.00 4.17 O ATOM 0 H ASP A 41 -11.079 1.792 3.713 1.00 1.72 H new ATOM 0 HA ASP A 41 -10.184 3.919 1.804 1.00 2.35 H new ATOM 0 HB2 ASP A 41 -11.551 5.409 3.225 1.00 3.27 H new ATOM 0 HB3 ASP A 41 -12.534 4.016 2.818 1.00 3.27 H new ATOM 654 N SER A 42 -9.194 3.475 4.906 1.00 1.60 N ATOM 655 CA SER A 42 -8.083 3.794 5.835 1.00 1.52 C ATOM 656 C SER A 42 -7.045 2.668 5.848 1.00 1.36 C ATOM 657 O SER A 42 -7.279 1.591 5.333 1.00 2.07 O ATOM 658 CB SER A 42 -8.693 4.007 7.222 1.00 1.81 C ATOM 659 OG SER A 42 -9.388 5.248 7.103 1.00 2.49 O ATOM 0 H SER A 42 -9.912 2.857 5.283 1.00 1.60 H new ATOM 0 HA SER A 42 -7.561 4.695 5.514 1.00 1.52 H new ATOM 0 HB2 SER A 42 -9.368 3.195 7.491 1.00 1.81 H new ATOM 0 HB3 SER A 42 -7.925 4.051 7.994 1.00 1.81 H new ATOM 0 HG SER A 42 -10.211 5.114 6.588 1.00 2.49 H new ATOM 665 N VAL A 43 -5.930 2.942 6.466 1.00 1.16 N ATOM 666 CA VAL A 43 -4.815 1.941 6.525 1.00 1.03 C ATOM 667 C VAL A 43 -4.815 1.191 7.870 1.00 1.12 C ATOM 668 O VAL A 43 -4.226 0.130 8.005 1.00 1.60 O ATOM 669 CB VAL A 43 -3.512 2.734 6.292 1.00 1.29 C ATOM 670 CG1 VAL A 43 -3.408 3.871 7.322 1.00 1.68 C ATOM 671 CG2 VAL A 43 -2.282 1.828 6.412 1.00 1.68 C ATOM 0 H VAL A 43 -5.737 3.825 6.939 1.00 1.16 H new ATOM 0 HA VAL A 43 -4.927 1.168 5.765 1.00 1.03 H new ATOM 0 HB VAL A 43 -3.541 3.145 5.283 1.00 1.29 H new ATOM 0 HG11 VAL A 43 -2.487 4.430 7.156 1.00 1.68 H new ATOM 0 HG12 VAL A 43 -4.262 4.539 7.214 1.00 1.68 H new ATOM 0 HG13 VAL A 43 -3.401 3.451 8.328 1.00 1.68 H new ATOM 0 HG21 VAL A 43 -1.380 2.415 6.243 1.00 1.68 H new ATOM 0 HG22 VAL A 43 -2.248 1.390 7.410 1.00 1.68 H new ATOM 0 HG23 VAL A 43 -2.342 1.033 5.669 1.00 1.68 H new ATOM 681 N THR A 44 -5.511 1.760 8.816 1.00 1.24 N ATOM 682 CA THR A 44 -5.627 1.157 10.177 1.00 1.56 C ATOM 683 C THR A 44 -6.800 0.180 10.210 1.00 1.40 C ATOM 684 O THR A 44 -6.894 -0.675 11.071 1.00 1.90 O ATOM 685 CB THR A 44 -5.904 2.289 11.168 1.00 2.02 C ATOM 686 OG1 THR A 44 -6.546 3.299 10.388 1.00 2.03 O ATOM 687 CG2 THR A 44 -4.620 2.943 11.671 1.00 2.80 C ATOM 0 H THR A 44 -6.016 2.638 8.701 1.00 1.24 H new ATOM 0 HA THR A 44 -4.710 0.626 10.432 1.00 1.56 H new ATOM 0 HB THR A 44 -6.467 1.901 12.017 1.00 2.02 H new ATOM 0 HG1 THR A 44 -6.760 4.066 10.959 1.00 2.03 H new ATOM 0 HG21 THR A 44 -4.868 3.740 12.372 1.00 2.80 H new ATOM 0 HG22 THR A 44 -4.004 2.197 12.174 1.00 2.80 H new ATOM 0 HG23 THR A 44 -4.069 3.359 10.828 1.00 2.80 H new ATOM 695 N GLN A 45 -7.664 0.316 9.245 1.00 1.37 N ATOM 696 CA GLN A 45 -8.854 -0.573 9.188 1.00 1.76 C ATOM 697 C GLN A 45 -8.614 -1.647 8.130 1.00 1.70 C ATOM 698 O GLN A 45 -9.378 -1.830 7.202 1.00 2.40 O ATOM 699 CB GLN A 45 -10.087 0.286 8.860 1.00 2.35 C ATOM 700 CG GLN A 45 -10.061 1.577 9.712 1.00 2.90 C ATOM 701 CD GLN A 45 -9.909 1.260 11.209 1.00 3.32 C ATOM 702 OE1 GLN A 45 -9.397 2.055 11.974 1.00 4.55 O ATOM 703 NE2 GLN A 45 -10.349 0.128 11.677 1.00 3.78 N ATOM 0 H GLN A 45 -7.597 1.004 8.494 1.00 1.37 H new ATOM 0 HA GLN A 45 -9.026 -1.071 10.142 1.00 1.76 H new ATOM 0 HB2 GLN A 45 -10.096 0.538 7.800 1.00 2.35 H new ATOM 0 HB3 GLN A 45 -10.999 -0.276 9.061 1.00 2.35 H new ATOM 0 HG2 GLN A 45 -9.236 2.212 9.388 1.00 2.90 H new ATOM 0 HG3 GLN A 45 -10.980 2.140 9.550 1.00 2.90 H new ATOM 0 HE21 GLN A 45 -10.781 -0.550 11.049 1.00 3.78 H new ATOM 0 HE22 GLN A 45 -10.262 -0.081 12.672 1.00 3.78 H new ATOM 712 N ILE A 46 -7.509 -2.306 8.317 1.00 1.21 N ATOM 713 CA ILE A 46 -7.077 -3.408 7.414 1.00 1.09 C ATOM 714 C ILE A 46 -6.709 -4.600 8.298 1.00 1.05 C ATOM 715 O ILE A 46 -6.399 -4.420 9.459 1.00 1.20 O ATOM 716 CB ILE A 46 -5.851 -2.918 6.601 1.00 0.94 C ATOM 717 CG1 ILE A 46 -6.337 -2.261 5.293 1.00 1.33 C ATOM 718 CG2 ILE A 46 -4.883 -4.078 6.288 1.00 1.04 C ATOM 719 CD1 ILE A 46 -5.143 -1.680 4.521 1.00 2.39 C ATOM 0 H ILE A 46 -6.864 -2.120 9.085 1.00 1.21 H new ATOM 0 HA ILE A 46 -7.861 -3.701 6.716 1.00 1.09 H new ATOM 0 HB ILE A 46 -5.307 -2.188 7.200 1.00 0.94 H new ATOM 0 HG12 ILE A 46 -6.855 -2.997 4.678 1.00 1.33 H new ATOM 0 HG13 ILE A 46 -7.054 -1.471 5.518 1.00 1.33 H new ATOM 0 HG21 ILE A 46 -4.035 -3.700 5.717 1.00 1.04 H new ATOM 0 HG22 ILE A 46 -4.527 -4.516 7.220 1.00 1.04 H new ATOM 0 HG23 ILE A 46 -5.403 -4.838 5.705 1.00 1.04 H new ATOM 0 HD11 ILE A 46 -5.496 -1.218 3.599 1.00 2.39 H new ATOM 0 HD12 ILE A 46 -4.643 -0.930 5.134 1.00 2.39 H new ATOM 0 HD13 ILE A 46 -4.441 -2.479 4.281 1.00 2.39 H new ATOM 731 N LYS A 47 -6.754 -5.777 7.743 1.00 1.04 N ATOM 732 CA LYS A 47 -6.386 -6.988 8.536 1.00 1.03 C ATOM 733 C LYS A 47 -5.444 -7.856 7.681 1.00 0.80 C ATOM 734 O LYS A 47 -5.356 -7.657 6.475 1.00 0.86 O ATOM 735 CB LYS A 47 -7.665 -7.765 8.912 1.00 1.40 C ATOM 736 CG LYS A 47 -8.437 -8.140 7.645 1.00 3.28 C ATOM 737 CD LYS A 47 -9.384 -9.319 7.924 1.00 4.75 C ATOM 738 CE LYS A 47 -9.711 -10.002 6.593 1.00 6.70 C ATOM 739 NZ LYS A 47 -8.448 -10.463 5.938 1.00 7.54 N ATOM 0 H LYS A 47 -7.029 -5.956 6.777 1.00 1.04 H new ATOM 0 HA LYS A 47 -5.878 -6.707 9.459 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -7.404 -8.665 9.469 1.00 1.40 H new ATOM 0 HB3 LYS A 47 -8.292 -7.157 9.564 1.00 1.40 H new ATOM 0 HG2 LYS A 47 -9.009 -7.282 7.292 1.00 3.28 H new ATOM 0 HG3 LYS A 47 -7.739 -8.406 6.851 1.00 3.28 H new ATOM 0 HD2 LYS A 47 -8.917 -10.027 8.609 1.00 4.75 H new ATOM 0 HD3 LYS A 47 -10.297 -8.967 8.404 1.00 4.75 H new ATOM 0 HE2 LYS A 47 -10.375 -10.850 6.762 1.00 6.70 H new ATOM 0 HE3 LYS A 47 -10.240 -9.309 5.938 1.00 6.70 H new ATOM 0 HZ1 LYS A 47 -8.658 -11.257 5.300 1.00 7.54 H new ATOM 0 HZ2 LYS A 47 -8.034 -9.680 5.392 1.00 7.54 H new ATOM 0 HZ3 LYS A 47 -7.773 -10.773 6.666 1.00 7.54 H new ATOM 753 N PRO A 48 -4.768 -8.799 8.310 1.00 0.76 N ATOM 754 CA PRO A 48 -3.940 -9.807 7.596 1.00 0.76 C ATOM 755 C PRO A 48 -4.655 -10.442 6.394 1.00 0.97 C ATOM 756 O PRO A 48 -5.868 -10.337 6.256 1.00 1.20 O ATOM 757 CB PRO A 48 -3.631 -10.840 8.681 1.00 0.86 C ATOM 758 CG PRO A 48 -3.657 -10.045 9.999 1.00 0.92 C ATOM 759 CD PRO A 48 -4.717 -8.953 9.794 1.00 0.95 C ATOM 0 HA PRO A 48 -3.049 -9.361 7.154 1.00 0.76 H new ATOM 0 HB2 PRO A 48 -4.371 -11.641 8.687 1.00 0.86 H new ATOM 0 HB3 PRO A 48 -2.659 -11.305 8.519 1.00 0.86 H new ATOM 0 HG2 PRO A 48 -3.913 -10.688 10.841 1.00 0.92 H new ATOM 0 HG3 PRO A 48 -2.681 -9.610 10.215 1.00 0.92 H new ATOM 0 HD2 PRO A 48 -5.684 -9.249 10.201 1.00 0.95 H new ATOM 0 HD3 PRO A 48 -4.436 -8.022 10.286 1.00 0.95 H new ATOM 767 N HIS A 49 -3.861 -11.096 5.577 1.00 1.23 N ATOM 768 CA HIS A 49 -4.355 -11.795 4.348 1.00 1.68 C ATOM 769 C HIS A 49 -5.525 -11.042 3.704 1.00 1.59 C ATOM 770 O HIS A 49 -6.618 -11.564 3.514 1.00 1.82 O ATOM 771 CB HIS A 49 -4.737 -13.234 4.724 1.00 2.12 C ATOM 772 CG HIS A 49 -5.904 -13.355 5.706 1.00 1.40 C ATOM 773 ND1 HIS A 49 -7.133 -13.237 5.301 1.00 2.82 N ATOM 774 CD2 HIS A 49 -5.956 -13.625 7.048 1.00 1.66 C ATOM 775 CE1 HIS A 49 -7.940 -13.433 6.321 1.00 3.85 C ATOM 776 NE2 HIS A 49 -7.212 -13.665 7.386 1.00 2.98 N ATOM 0 H HIS A 49 -2.854 -11.175 5.719 1.00 1.23 H new ATOM 0 HA HIS A 49 -3.563 -11.819 3.599 1.00 1.68 H new ATOM 0 HB2 HIS A 49 -4.990 -13.777 3.813 1.00 2.12 H new ATOM 0 HB3 HIS A 49 -3.865 -13.725 5.156 1.00 2.12 H new ATOM 0 HD1 HIS A 49 -7.425 -13.026 4.347 1.00 2.82 H new ATOM 0 HD2 HIS A 49 -5.111 -13.777 7.704 1.00 1.66 H new ATOM 0 HE1 HIS A 49 -9.019 -13.407 6.287 1.00 3.85 H new ATOM 784 N SER A 50 -5.248 -9.808 3.371 1.00 1.39 N ATOM 785 CA SER A 50 -6.287 -8.950 2.723 1.00 1.41 C ATOM 786 C SER A 50 -5.715 -8.282 1.478 1.00 1.41 C ATOM 787 O SER A 50 -4.510 -8.241 1.283 1.00 2.17 O ATOM 788 CB SER A 50 -6.738 -7.864 3.700 1.00 1.34 C ATOM 789 OG SER A 50 -7.217 -8.595 4.809 1.00 1.99 O ATOM 0 H SER A 50 -4.346 -9.356 3.520 1.00 1.39 H new ATOM 0 HA SER A 50 -7.133 -9.578 2.444 1.00 1.41 H new ATOM 0 HB2 SER A 50 -5.914 -7.207 3.978 1.00 1.34 H new ATOM 0 HB3 SER A 50 -7.516 -7.234 3.268 1.00 1.34 H new ATOM 0 HG SER A 50 -6.465 -8.845 5.385 1.00 1.99 H new ATOM 795 N THR A 51 -6.597 -7.759 0.672 1.00 1.16 N ATOM 796 CA THR A 51 -6.171 -7.056 -0.571 1.00 1.18 C ATOM 797 C THR A 51 -6.552 -5.576 -0.460 1.00 1.13 C ATOM 798 O THR A 51 -7.704 -5.232 -0.195 1.00 1.32 O ATOM 799 CB THR A 51 -6.878 -7.688 -1.784 1.00 1.39 C ATOM 800 OG1 THR A 51 -8.033 -8.336 -1.260 1.00 1.89 O ATOM 801 CG2 THR A 51 -6.044 -8.808 -2.409 1.00 1.77 C ATOM 0 H THR A 51 -7.605 -7.789 0.823 1.00 1.16 H new ATOM 0 HA THR A 51 -5.092 -7.147 -0.700 1.00 1.18 H new ATOM 0 HB THR A 51 -7.071 -6.915 -2.528 1.00 1.39 H new ATOM 0 HG1 THR A 51 -8.530 -8.760 -1.991 1.00 1.89 H new ATOM 0 HG21 THR A 51 -6.578 -9.227 -3.261 1.00 1.77 H new ATOM 0 HG22 THR A 51 -5.087 -8.406 -2.742 1.00 1.77 H new ATOM 0 HG23 THR A 51 -5.871 -9.589 -1.669 1.00 1.77 H new ATOM 809 N VAL A 52 -5.586 -4.731 -0.694 1.00 1.03 N ATOM 810 CA VAL A 52 -5.840 -3.268 -0.611 1.00 1.05 C ATOM 811 C VAL A 52 -5.679 -2.673 -2.008 1.00 0.95 C ATOM 812 O VAL A 52 -4.841 -3.127 -2.783 1.00 1.10 O ATOM 813 CB VAL A 52 -4.828 -2.657 0.368 1.00 1.26 C ATOM 814 CG1 VAL A 52 -4.847 -3.469 1.669 1.00 2.80 C ATOM 815 CG2 VAL A 52 -3.418 -2.716 -0.228 1.00 2.56 C ATOM 0 H VAL A 52 -4.631 -4.992 -0.939 1.00 1.03 H new ATOM 0 HA VAL A 52 -6.847 -3.057 -0.253 1.00 1.05 H new ATOM 0 HB VAL A 52 -5.095 -1.618 0.560 1.00 1.26 H new ATOM 0 HG11 VAL A 52 -4.132 -3.045 2.373 1.00 2.80 H new ATOM 0 HG12 VAL A 52 -5.846 -3.437 2.103 1.00 2.80 H new ATOM 0 HG13 VAL A 52 -4.577 -4.503 1.456 1.00 2.80 H new ATOM 0 HG21 VAL A 52 -2.708 -2.280 0.474 1.00 2.56 H new ATOM 0 HG22 VAL A 52 -3.147 -3.754 -0.420 1.00 2.56 H new ATOM 0 HG23 VAL A 52 -3.394 -2.156 -1.163 1.00 2.56 H new ATOM 825 N ASP A 53 -6.448 -1.659 -2.291 1.00 0.80 N ATOM 826 CA ASP A 53 -6.372 -1.032 -3.639 1.00 0.83 C ATOM 827 C ASP A 53 -5.998 0.430 -3.491 1.00 0.81 C ATOM 828 O ASP A 53 -6.677 1.180 -2.805 1.00 0.86 O ATOM 829 CB ASP A 53 -7.733 -1.157 -4.327 1.00 0.97 C ATOM 830 CG ASP A 53 -7.991 -2.609 -4.740 1.00 1.65 C ATOM 831 OD1 ASP A 53 -7.783 -3.482 -3.902 1.00 2.95 O ATOM 832 OD2 ASP A 53 -8.401 -2.769 -5.870 1.00 2.46 O ATOM 0 H ASP A 53 -7.122 -1.239 -1.651 1.00 0.80 H new ATOM 0 HA ASP A 53 -5.616 -1.535 -4.242 1.00 0.83 H new ATOM 0 HB2 ASP A 53 -8.520 -0.818 -3.654 1.00 0.97 H new ATOM 0 HB3 ASP A 53 -7.765 -0.511 -5.205 1.00 0.97 H new ATOM 837 N PHE A 54 -4.933 0.808 -4.128 1.00 0.92 N ATOM 838 CA PHE A 54 -4.467 2.216 -4.041 1.00 1.04 C ATOM 839 C PHE A 54 -4.735 2.945 -5.354 1.00 0.99 C ATOM 840 O PHE A 54 -5.004 2.337 -6.373 1.00 1.48 O ATOM 841 CB PHE A 54 -2.944 2.247 -3.799 1.00 1.61 C ATOM 842 CG PHE A 54 -2.511 1.608 -2.464 1.00 1.19 C ATOM 843 CD1 PHE A 54 -3.409 1.010 -1.594 1.00 1.97 C ATOM 844 CD2 PHE A 54 -1.170 1.630 -2.116 1.00 1.98 C ATOM 845 CE1 PHE A 54 -2.973 0.449 -0.415 1.00 3.19 C ATOM 846 CE2 PHE A 54 -0.737 1.065 -0.936 1.00 2.92 C ATOM 847 CZ PHE A 54 -1.639 0.477 -0.088 1.00 3.50 C ATOM 0 H PHE A 54 -4.359 0.198 -4.711 1.00 0.92 H new ATOM 0 HA PHE A 54 -5.002 2.699 -3.223 1.00 1.04 H new ATOM 0 HB2 PHE A 54 -2.445 1.728 -4.618 1.00 1.61 H new ATOM 0 HB3 PHE A 54 -2.603 3.282 -3.823 1.00 1.61 H new ATOM 0 HD1 PHE A 54 -4.460 0.984 -1.843 1.00 1.97 H new ATOM 0 HD2 PHE A 54 -0.455 2.096 -2.778 1.00 1.98 H new ATOM 0 HE1 PHE A 54 -3.682 -0.015 0.255 1.00 3.19 H new ATOM 0 HE2 PHE A 54 0.312 1.086 -0.680 1.00 2.92 H new ATOM 0 HZ PHE A 54 -1.301 0.035 0.838 1.00 3.50 H new ATOM 857 N ARG A 55 -4.625 4.248 -5.275 1.00 1.14 N ATOM 858 CA ARG A 55 -4.817 5.132 -6.466 1.00 1.51 C ATOM 859 C ARG A 55 -3.510 5.897 -6.681 1.00 1.57 C ATOM 860 O ARG A 55 -3.084 6.646 -5.816 1.00 2.17 O ATOM 861 CB ARG A 55 -5.931 6.152 -6.202 1.00 2.24 C ATOM 862 CG ARG A 55 -6.123 7.051 -7.441 1.00 2.89 C ATOM 863 CD ARG A 55 -6.709 8.411 -7.024 1.00 3.83 C ATOM 864 NE ARG A 55 -5.664 9.471 -7.204 1.00 4.33 N ATOM 865 CZ ARG A 55 -5.130 10.018 -6.159 1.00 5.19 C ATOM 866 NH1 ARG A 55 -4.129 9.424 -5.586 1.00 5.85 N ATOM 867 NH2 ARG A 55 -5.636 11.125 -5.718 1.00 6.16 N ATOM 0 H ARG A 55 -4.405 4.748 -4.413 1.00 1.14 H new ATOM 0 HA ARG A 55 -5.086 4.530 -7.334 1.00 1.51 H new ATOM 0 HB2 ARG A 55 -6.862 5.635 -5.969 1.00 2.24 H new ATOM 0 HB3 ARG A 55 -5.680 6.762 -5.334 1.00 2.24 H new ATOM 0 HG2 ARG A 55 -5.168 7.197 -7.945 1.00 2.89 H new ATOM 0 HG3 ARG A 55 -6.788 6.563 -8.154 1.00 2.89 H new ATOM 0 HD2 ARG A 55 -7.587 8.643 -7.626 1.00 3.83 H new ATOM 0 HD3 ARG A 55 -7.035 8.377 -5.985 1.00 3.83 H new ATOM 0 HE ARG A 55 -5.377 9.758 -8.140 1.00 4.33 H new ATOM 0 HH11 ARG A 55 -3.777 8.543 -5.960 1.00 5.85 H new ATOM 0 HH12 ARG A 55 -3.694 9.838 -4.762 1.00 5.85 H new ATOM 0 HH21 ARG A 55 -6.436 11.545 -6.192 1.00 6.16 H new ATOM 0 HH22 ARG A 55 -5.235 11.577 -4.896 1.00 6.16 H new ATOM 881 N VAL A 56 -2.938 5.756 -7.841 1.00 1.66 N ATOM 882 CA VAL A 56 -1.669 6.448 -8.105 1.00 2.12 C ATOM 883 C VAL A 56 -1.915 7.679 -8.976 1.00 1.71 C ATOM 884 O VAL A 56 -2.870 7.728 -9.747 1.00 2.30 O ATOM 885 CB VAL A 56 -0.736 5.462 -8.823 1.00 3.09 C ATOM 886 CG1 VAL A 56 -0.529 4.211 -7.955 1.00 4.22 C ATOM 887 CG2 VAL A 56 -1.310 5.038 -10.183 1.00 3.69 C ATOM 0 H VAL A 56 -3.300 5.192 -8.610 1.00 1.66 H new ATOM 0 HA VAL A 56 -1.215 6.782 -7.172 1.00 2.12 H new ATOM 0 HB VAL A 56 0.216 5.966 -8.988 1.00 3.09 H new ATOM 0 HG11 VAL A 56 0.134 3.516 -8.471 1.00 4.22 H new ATOM 0 HG12 VAL A 56 -0.083 4.499 -7.003 1.00 4.22 H new ATOM 0 HG13 VAL A 56 -1.490 3.730 -7.775 1.00 4.22 H new ATOM 0 HG21 VAL A 56 -0.625 4.340 -10.665 1.00 3.69 H new ATOM 0 HG22 VAL A 56 -2.276 4.555 -10.036 1.00 3.69 H new ATOM 0 HG23 VAL A 56 -1.436 5.917 -10.815 1.00 3.69 H new ATOM 897 N LYS A 57 -1.020 8.615 -8.863 1.00 1.58 N ATOM 898 CA LYS A 57 -1.121 9.871 -9.659 1.00 1.51 C ATOM 899 C LYS A 57 -0.109 9.805 -10.821 1.00 1.59 C ATOM 900 O LYS A 57 -0.252 10.534 -11.773 1.00 2.97 O ATOM 901 CB LYS A 57 -0.855 11.071 -8.714 1.00 2.05 C ATOM 902 CG LYS A 57 -0.696 12.379 -9.499 1.00 3.47 C ATOM 903 CD LYS A 57 -2.029 12.820 -10.120 1.00 4.32 C ATOM 904 CE LYS A 57 -1.711 13.724 -11.311 1.00 5.86 C ATOM 905 NZ LYS A 57 -1.075 12.916 -12.394 1.00 6.59 N ATOM 0 H LYS A 57 -0.210 8.565 -8.245 1.00 1.58 H new ATOM 0 HA LYS A 57 -2.114 9.995 -10.092 1.00 1.51 H new ATOM 0 HB2 LYS A 57 -1.678 11.168 -8.006 1.00 2.05 H new ATOM 0 HB3 LYS A 57 0.046 10.883 -8.131 1.00 2.05 H new ATOM 0 HG2 LYS A 57 -0.324 13.161 -8.837 1.00 3.47 H new ATOM 0 HG3 LYS A 57 0.048 12.246 -10.285 1.00 3.47 H new ATOM 0 HD2 LYS A 57 -2.606 11.953 -10.441 1.00 4.32 H new ATOM 0 HD3 LYS A 57 -2.635 13.352 -9.387 1.00 4.32 H new ATOM 0 HE2 LYS A 57 -2.624 14.192 -11.680 1.00 5.86 H new ATOM 0 HE3 LYS A 57 -1.043 14.528 -11.003 1.00 5.86 H new ATOM 0 HZ1 LYS A 57 -1.443 13.222 -13.317 1.00 6.59 H new ATOM 0 HZ2 LYS A 57 -0.044 13.053 -12.370 1.00 6.59 H new ATOM 0 HZ3 LYS A 57 -1.294 11.910 -12.250 1.00 6.59 H new ATOM 919 N ALA A 58 0.889 8.947 -10.678 1.00 1.56 N ATOM 920 CA ALA A 58 1.960 8.718 -11.732 1.00 1.82 C ATOM 921 C ALA A 58 3.335 9.067 -11.138 1.00 2.15 C ATOM 922 O ALA A 58 4.193 8.213 -10.965 1.00 2.96 O ATOM 923 CB ALA A 58 1.702 9.554 -13.017 1.00 2.03 C ATOM 0 H ALA A 58 1.012 8.374 -9.843 1.00 1.56 H new ATOM 0 HA ALA A 58 1.933 7.668 -12.022 1.00 1.82 H new ATOM 0 HB1 ALA A 58 2.492 9.359 -13.743 1.00 2.03 H new ATOM 0 HB2 ALA A 58 0.739 9.275 -13.445 1.00 2.03 H new ATOM 0 HB3 ALA A 58 1.694 10.615 -12.766 1.00 2.03 H new ATOM 929 N GLU A 59 3.493 10.318 -10.815 1.00 2.09 N ATOM 930 CA GLU A 59 4.772 10.797 -10.215 1.00 2.51 C ATOM 931 C GLU A 59 5.115 9.989 -8.942 1.00 2.15 C ATOM 932 O GLU A 59 6.275 9.767 -8.637 1.00 2.66 O ATOM 933 CB GLU A 59 4.632 12.303 -9.898 1.00 2.97 C ATOM 934 CG GLU A 59 3.216 12.625 -9.361 1.00 3.08 C ATOM 935 CD GLU A 59 2.328 13.265 -10.450 1.00 3.78 C ATOM 936 OE1 GLU A 59 2.248 12.687 -11.522 1.00 4.57 O ATOM 937 OE2 GLU A 59 1.725 14.275 -10.139 1.00 4.40 O ATOM 0 H GLU A 59 2.783 11.040 -10.942 1.00 2.09 H new ATOM 0 HA GLU A 59 5.590 10.650 -10.920 1.00 2.51 H new ATOM 0 HB2 GLU A 59 5.380 12.595 -9.161 1.00 2.97 H new ATOM 0 HB3 GLU A 59 4.826 12.888 -10.797 1.00 2.97 H new ATOM 0 HG2 GLU A 59 2.747 11.710 -8.999 1.00 3.08 H new ATOM 0 HG3 GLU A 59 3.294 13.302 -8.510 1.00 3.08 H new ATOM 944 N ASP A 60 4.091 9.562 -8.244 1.00 1.92 N ATOM 945 CA ASP A 60 4.291 8.764 -6.990 1.00 2.39 C ATOM 946 C ASP A 60 4.595 7.299 -7.312 1.00 2.03 C ATOM 947 O ASP A 60 5.398 6.688 -6.634 1.00 2.22 O ATOM 948 CB ASP A 60 3.007 8.810 -6.143 1.00 3.40 C ATOM 949 CG ASP A 60 1.836 8.366 -7.023 1.00 4.63 C ATOM 950 OD1 ASP A 60 1.383 9.202 -7.776 1.00 5.19 O ATOM 951 OD2 ASP A 60 1.511 7.196 -6.974 1.00 5.69 O ATOM 0 H ASP A 60 3.116 9.733 -8.490 1.00 1.92 H new ATOM 0 HA ASP A 60 5.132 9.196 -6.448 1.00 2.39 H new ATOM 0 HB2 ASP A 60 3.100 8.156 -5.276 1.00 3.40 H new ATOM 0 HB3 ASP A 60 2.837 9.818 -5.765 1.00 3.40 H new ATOM 956 N ILE A 61 3.923 6.760 -8.309 1.00 1.84 N ATOM 957 CA ILE A 61 4.134 5.318 -8.698 1.00 1.66 C ATOM 958 C ILE A 61 5.562 4.866 -8.390 1.00 1.45 C ATOM 959 O ILE A 61 5.758 3.985 -7.596 1.00 1.97 O ATOM 960 CB ILE A 61 3.839 5.109 -10.201 1.00 1.63 C ATOM 961 CG1 ILE A 61 2.350 5.409 -10.469 1.00 2.25 C ATOM 962 CG2 ILE A 61 4.146 3.645 -10.581 1.00 1.99 C ATOM 963 CD1 ILE A 61 1.996 5.143 -11.942 1.00 2.72 C ATOM 0 H ILE A 61 3.234 7.258 -8.873 1.00 1.84 H new ATOM 0 HA ILE A 61 3.442 4.715 -8.110 1.00 1.66 H new ATOM 0 HB ILE A 61 4.460 5.777 -10.797 1.00 1.63 H new ATOM 0 HG12 ILE A 61 1.728 4.790 -9.823 1.00 2.25 H new ATOM 0 HG13 ILE A 61 2.133 6.448 -10.220 1.00 2.25 H new ATOM 0 HG21 ILE A 61 3.939 3.493 -11.640 1.00 1.99 H new ATOM 0 HG22 ILE A 61 5.196 3.430 -10.382 1.00 1.99 H new ATOM 0 HG23 ILE A 61 3.520 2.977 -9.990 1.00 1.99 H new ATOM 0 HD11 ILE A 61 0.941 5.361 -12.108 1.00 2.72 H new ATOM 0 HD12 ILE A 61 2.604 5.781 -12.583 1.00 2.72 H new ATOM 0 HD13 ILE A 61 2.192 4.098 -12.180 1.00 2.72 H new ATOM 975 N LEU A 62 6.516 5.504 -9.013 1.00 1.14 N ATOM 976 CA LEU A 62 7.948 5.136 -8.780 1.00 1.02 C ATOM 977 C LEU A 62 8.181 4.822 -7.297 1.00 1.02 C ATOM 978 O LEU A 62 8.676 3.765 -6.944 1.00 1.19 O ATOM 979 CB LEU A 62 8.864 6.305 -9.196 1.00 1.25 C ATOM 980 CG LEU A 62 8.915 6.527 -10.730 1.00 2.24 C ATOM 981 CD1 LEU A 62 9.323 5.232 -11.443 1.00 2.79 C ATOM 982 CD2 LEU A 62 7.558 6.992 -11.280 1.00 4.13 C ATOM 0 H LEU A 62 6.368 6.266 -9.675 1.00 1.14 H new ATOM 0 HA LEU A 62 8.181 4.254 -9.377 1.00 1.02 H new ATOM 0 HB2 LEU A 62 8.516 7.219 -8.715 1.00 1.25 H new ATOM 0 HB3 LEU A 62 9.873 6.116 -8.829 1.00 1.25 H new ATOM 0 HG LEU A 62 9.654 7.306 -10.919 1.00 2.24 H new ATOM 0 HD11 LEU A 62 9.354 5.403 -12.519 1.00 2.79 H new ATOM 0 HD12 LEU A 62 10.308 4.921 -11.096 1.00 2.79 H new ATOM 0 HD13 LEU A 62 8.597 4.450 -11.221 1.00 2.79 H new ATOM 0 HD21 LEU A 62 7.633 7.137 -12.358 1.00 4.13 H new ATOM 0 HD22 LEU A 62 6.801 6.237 -11.067 1.00 4.13 H new ATOM 0 HD23 LEU A 62 7.276 7.932 -10.806 1.00 4.13 H new ATOM 994 N ALA A 63 7.763 5.737 -6.468 1.00 1.12 N ATOM 995 CA ALA A 63 7.947 5.545 -5.005 1.00 1.21 C ATOM 996 C ALA A 63 7.114 4.364 -4.527 1.00 1.16 C ATOM 997 O ALA A 63 7.543 3.617 -3.683 1.00 1.37 O ATOM 998 CB ALA A 63 7.511 6.812 -4.265 1.00 1.60 C ATOM 0 H ALA A 63 7.304 6.606 -6.740 1.00 1.12 H new ATOM 0 HA ALA A 63 8.999 5.346 -4.800 1.00 1.21 H new ATOM 0 HB1 ALA A 63 7.646 6.672 -3.193 1.00 1.60 H new ATOM 0 HB2 ALA A 63 8.116 7.655 -4.599 1.00 1.60 H new ATOM 0 HB3 ALA A 63 6.461 7.013 -4.475 1.00 1.60 H new ATOM 1004 N VAL A 64 5.935 4.231 -5.056 1.00 1.15 N ATOM 1005 CA VAL A 64 5.085 3.093 -4.625 1.00 1.20 C ATOM 1006 C VAL A 64 5.792 1.787 -4.999 1.00 0.97 C ATOM 1007 O VAL A 64 5.987 0.931 -4.155 1.00 0.95 O ATOM 1008 CB VAL A 64 3.717 3.198 -5.325 1.00 1.50 C ATOM 1009 CG1 VAL A 64 2.796 2.076 -4.834 1.00 1.75 C ATOM 1010 CG2 VAL A 64 3.077 4.559 -5.002 1.00 1.80 C ATOM 0 H VAL A 64 5.527 4.850 -5.757 1.00 1.15 H new ATOM 0 HA VAL A 64 4.926 3.113 -3.547 1.00 1.20 H new ATOM 0 HB VAL A 64 3.858 3.106 -6.402 1.00 1.50 H new ATOM 0 HG11 VAL A 64 1.830 2.154 -5.332 1.00 1.75 H new ATOM 0 HG12 VAL A 64 3.245 1.110 -5.064 1.00 1.75 H new ATOM 0 HG13 VAL A 64 2.657 2.165 -3.757 1.00 1.75 H new ATOM 0 HG21 VAL A 64 2.109 4.633 -5.498 1.00 1.80 H new ATOM 0 HG22 VAL A 64 2.941 4.650 -3.924 1.00 1.80 H new ATOM 0 HG23 VAL A 64 3.727 5.360 -5.355 1.00 1.80 H new ATOM 1020 N GLU A 65 6.138 1.659 -6.253 1.00 0.98 N ATOM 1021 CA GLU A 65 6.845 0.425 -6.690 1.00 1.01 C ATOM 1022 C GLU A 65 8.052 0.210 -5.772 1.00 0.85 C ATOM 1023 O GLU A 65 8.166 -0.815 -5.136 1.00 0.94 O ATOM 1024 CB GLU A 65 7.309 0.571 -8.156 1.00 1.20 C ATOM 1025 CG GLU A 65 6.174 1.137 -9.027 1.00 1.39 C ATOM 1026 CD GLU A 65 4.900 0.356 -8.735 1.00 2.31 C ATOM 1027 OE1 GLU A 65 4.942 -0.836 -8.972 1.00 3.49 O ATOM 1028 OE2 GLU A 65 3.974 0.993 -8.266 1.00 3.12 O ATOM 0 H GLU A 65 5.963 2.348 -6.984 1.00 0.98 H new ATOM 0 HA GLU A 65 6.174 -0.432 -6.629 1.00 1.01 H new ATOM 0 HB2 GLU A 65 8.176 1.230 -8.205 1.00 1.20 H new ATOM 0 HB3 GLU A 65 7.623 -0.399 -8.542 1.00 1.20 H new ATOM 0 HG2 GLU A 65 6.026 2.196 -8.814 1.00 1.39 H new ATOM 0 HG3 GLU A 65 6.432 1.058 -10.083 1.00 1.39 H new ATOM 1035 N ASP A 66 8.894 1.211 -5.694 1.00 0.76 N ATOM 1036 CA ASP A 66 10.110 1.117 -4.826 1.00 0.79 C ATOM 1037 C ASP A 66 9.703 0.738 -3.390 1.00 0.73 C ATOM 1038 O ASP A 66 10.043 -0.315 -2.893 1.00 0.85 O ATOM 1039 CB ASP A 66 10.794 2.506 -4.859 1.00 0.79 C ATOM 1040 CG ASP A 66 12.196 2.518 -4.231 1.00 1.32 C ATOM 1041 OD1 ASP A 66 12.746 1.449 -4.068 1.00 2.27 O ATOM 1042 OD2 ASP A 66 12.647 3.619 -3.958 1.00 2.14 O ATOM 0 H ASP A 66 8.791 2.093 -6.196 1.00 0.76 H new ATOM 0 HA ASP A 66 10.795 0.348 -5.183 1.00 0.79 H new ATOM 0 HB2 ASP A 66 10.866 2.841 -5.894 1.00 0.79 H new ATOM 0 HB3 ASP A 66 10.164 3.224 -4.334 1.00 0.79 H new ATOM 1047 N PHE A 67 8.974 1.631 -2.779 1.00 0.61 N ATOM 1048 CA PHE A 67 8.476 1.433 -1.384 1.00 0.68 C ATOM 1049 C PHE A 67 8.007 0.000 -1.151 1.00 0.74 C ATOM 1050 O PHE A 67 8.430 -0.658 -0.223 1.00 0.95 O ATOM 1051 CB PHE A 67 7.279 2.367 -1.134 1.00 0.67 C ATOM 1052 CG PHE A 67 6.746 2.132 0.287 1.00 0.84 C ATOM 1053 CD1 PHE A 67 7.559 2.350 1.387 1.00 0.91 C ATOM 1054 CD2 PHE A 67 5.465 1.650 0.486 1.00 1.19 C ATOM 1055 CE1 PHE A 67 7.100 2.087 2.661 1.00 1.05 C ATOM 1056 CE2 PHE A 67 5.008 1.386 1.759 1.00 1.40 C ATOM 1057 CZ PHE A 67 5.824 1.601 2.848 1.00 1.24 C ATOM 0 H PHE A 67 8.694 2.517 -3.200 1.00 0.61 H new ATOM 0 HA PHE A 67 9.301 1.652 -0.706 1.00 0.68 H new ATOM 0 HB2 PHE A 67 7.582 3.407 -1.255 1.00 0.67 H new ATOM 0 HB3 PHE A 67 6.494 2.177 -1.866 1.00 0.67 H new ATOM 0 HD1 PHE A 67 8.560 2.729 1.246 1.00 0.91 H new ATOM 0 HD2 PHE A 67 4.818 1.479 -0.362 1.00 1.19 H new ATOM 0 HE1 PHE A 67 7.741 2.262 3.512 1.00 1.05 H new ATOM 0 HE2 PHE A 67 4.006 1.009 1.904 1.00 1.40 H new ATOM 0 HZ PHE A 67 5.465 1.389 3.844 1.00 1.24 H new ATOM 1067 N LEU A 68 7.116 -0.433 -1.988 1.00 0.72 N ATOM 1068 CA LEU A 68 6.581 -1.806 -1.825 1.00 0.92 C ATOM 1069 C LEU A 68 7.649 -2.837 -2.186 1.00 1.01 C ATOM 1070 O LEU A 68 8.121 -3.554 -1.322 1.00 1.62 O ATOM 1071 CB LEU A 68 5.347 -1.974 -2.736 1.00 1.04 C ATOM 1072 CG LEU A 68 4.300 -0.884 -2.429 1.00 0.99 C ATOM 1073 CD1 LEU A 68 3.106 -1.036 -3.379 1.00 1.21 C ATOM 1074 CD2 LEU A 68 3.795 -1.043 -0.998 1.00 1.26 C ATOM 0 H LEU A 68 6.737 0.098 -2.772 1.00 0.72 H new ATOM 0 HA LEU A 68 6.292 -1.964 -0.786 1.00 0.92 H new ATOM 0 HB2 LEU A 68 5.648 -1.914 -3.782 1.00 1.04 H new ATOM 0 HB3 LEU A 68 4.909 -2.961 -2.587 1.00 1.04 H new ATOM 0 HG LEU A 68 4.763 0.094 -2.557 1.00 0.99 H new ATOM 0 HD11 LEU A 68 2.367 -0.265 -3.161 1.00 1.21 H new ATOM 0 HD12 LEU A 68 3.445 -0.932 -4.410 1.00 1.21 H new ATOM 0 HD13 LEU A 68 2.656 -2.019 -3.243 1.00 1.21 H new ATOM 0 HD21 LEU A 68 3.056 -0.271 -0.785 1.00 1.26 H new ATOM 0 HD22 LEU A 68 3.338 -2.026 -0.881 1.00 1.26 H new ATOM 0 HD23 LEU A 68 4.630 -0.946 -0.305 1.00 1.26 H new ATOM 1086 N GLU A 69 8.019 -2.844 -3.435 1.00 0.93 N ATOM 1087 CA GLU A 69 9.032 -3.814 -3.952 1.00 1.01 C ATOM 1088 C GLU A 69 10.209 -4.011 -2.996 1.00 1.00 C ATOM 1089 O GLU A 69 10.593 -5.131 -2.715 1.00 1.03 O ATOM 1090 CB GLU A 69 9.551 -3.281 -5.286 1.00 1.12 C ATOM 1091 CG GLU A 69 10.272 -4.394 -6.043 1.00 1.43 C ATOM 1092 CD GLU A 69 10.750 -3.821 -7.370 1.00 1.94 C ATOM 1093 OE1 GLU A 69 9.939 -3.806 -8.281 1.00 2.59 O ATOM 1094 OE2 GLU A 69 11.891 -3.399 -7.383 1.00 3.07 O ATOM 0 H GLU A 69 7.654 -2.203 -4.139 1.00 0.93 H new ATOM 0 HA GLU A 69 8.549 -4.785 -4.061 1.00 1.01 H new ATOM 0 HB2 GLU A 69 8.722 -2.900 -5.883 1.00 1.12 H new ATOM 0 HB3 GLU A 69 10.230 -2.446 -5.115 1.00 1.12 H new ATOM 0 HG2 GLU A 69 11.116 -4.767 -5.462 1.00 1.43 H new ATOM 0 HG3 GLU A 69 9.603 -5.238 -6.210 1.00 1.43 H new ATOM 1101 N GLN A 70 10.777 -2.915 -2.566 1.00 1.07 N ATOM 1102 CA GLN A 70 11.938 -2.974 -1.622 1.00 1.16 C ATOM 1103 C GLN A 70 11.696 -4.007 -0.529 1.00 1.19 C ATOM 1104 O GLN A 70 12.594 -4.729 -0.149 1.00 1.35 O ATOM 1105 CB GLN A 70 12.156 -1.610 -0.952 1.00 1.32 C ATOM 1106 CG GLN A 70 13.015 -0.714 -1.847 1.00 1.46 C ATOM 1107 CD GLN A 70 13.467 0.514 -1.044 1.00 2.15 C ATOM 1108 OE1 GLN A 70 14.210 0.409 -0.092 1.00 2.63 O ATOM 1109 NE2 GLN A 70 13.047 1.691 -1.385 1.00 2.64 N ATOM 0 H GLN A 70 10.486 -1.973 -2.829 1.00 1.07 H new ATOM 0 HA GLN A 70 12.817 -3.251 -2.203 1.00 1.16 H new ATOM 0 HB2 GLN A 70 11.195 -1.132 -0.762 1.00 1.32 H new ATOM 0 HB3 GLN A 70 12.642 -1.745 0.014 1.00 1.32 H new ATOM 0 HG2 GLN A 70 13.882 -1.266 -2.210 1.00 1.46 H new ATOM 0 HG3 GLN A 70 12.446 -0.402 -2.723 1.00 1.46 H new ATOM 0 HE21 GLN A 70 12.421 1.798 -2.183 1.00 2.64 H new ATOM 0 HE22 GLN A 70 13.342 2.511 -0.855 1.00 2.64 H new ATOM 1118 N ASN A 71 10.489 -4.016 -0.029 1.00 1.13 N ATOM 1119 CA ASN A 71 10.126 -4.972 1.049 1.00 1.24 C ATOM 1120 C ASN A 71 9.175 -6.013 0.469 1.00 1.14 C ATOM 1121 O ASN A 71 8.550 -6.758 1.192 1.00 1.35 O ATOM 1122 CB ASN A 71 9.396 -4.208 2.147 1.00 1.32 C ATOM 1123 CG ASN A 71 10.016 -2.826 2.356 1.00 1.55 C ATOM 1124 OD1 ASN A 71 11.147 -2.688 2.780 1.00 2.75 O ATOM 1125 ND2 ASN A 71 9.320 -1.771 2.045 1.00 1.29 N ATOM 0 H ASN A 71 9.736 -3.396 -0.326 1.00 1.13 H new ATOM 0 HA ASN A 71 11.019 -5.452 1.450 1.00 1.24 H new ATOM 0 HB2 ASN A 71 8.343 -4.103 1.884 1.00 1.32 H new ATOM 0 HB3 ASN A 71 9.437 -4.774 3.078 1.00 1.32 H new ATOM 0 HD21 ASN A 71 9.725 -0.842 2.158 1.00 1.29 H new ATOM 0 HD22 ASN A 71 8.370 -1.874 1.688 1.00 1.29 H new ATOM 1132 N GLU A 72 9.046 -5.950 -0.833 1.00 1.17 N ATOM 1133 CA GLU A 72 8.172 -6.860 -1.630 1.00 1.23 C ATOM 1134 C GLU A 72 6.730 -6.398 -1.550 1.00 1.57 C ATOM 1135 O GLU A 72 6.087 -6.161 -2.548 1.00 3.40 O ATOM 1136 CB GLU A 72 8.314 -8.334 -1.161 1.00 1.78 C ATOM 1137 CG GLU A 72 7.297 -9.256 -1.871 1.00 3.35 C ATOM 1138 CD GLU A 72 7.540 -9.276 -3.386 1.00 3.90 C ATOM 1139 OE1 GLU A 72 7.222 -8.273 -4.005 1.00 4.93 O ATOM 1140 OE2 GLU A 72 8.049 -10.290 -3.836 1.00 4.13 O ATOM 0 H GLU A 72 9.541 -5.264 -1.404 1.00 1.17 H new ATOM 0 HA GLU A 72 8.493 -6.820 -2.671 1.00 1.23 H new ATOM 0 HB2 GLU A 72 9.326 -8.685 -1.362 1.00 1.78 H new ATOM 0 HB3 GLU A 72 8.166 -8.389 -0.083 1.00 1.78 H new ATOM 0 HG2 GLU A 72 7.377 -10.267 -1.473 1.00 3.35 H new ATOM 0 HG3 GLU A 72 6.283 -8.912 -1.666 1.00 3.35 H new ATOM 1147 N LEU A 73 6.353 -6.163 -0.342 1.00 0.95 N ATOM 1148 CA LEU A 73 4.965 -5.743 0.040 1.00 0.92 C ATOM 1149 C LEU A 73 3.993 -6.063 -1.099 1.00 1.18 C ATOM 1150 O LEU A 73 3.293 -5.206 -1.616 1.00 2.24 O ATOM 1151 CB LEU A 73 4.961 -4.246 0.398 1.00 0.86 C ATOM 1152 CG LEU A 73 4.081 -4.017 1.651 1.00 1.36 C ATOM 1153 CD1 LEU A 73 4.805 -4.572 2.876 1.00 1.93 C ATOM 1154 CD2 LEU A 73 3.808 -2.526 1.898 1.00 2.03 C ATOM 0 H LEU A 73 6.982 -6.247 0.457 1.00 0.95 H new ATOM 0 HA LEU A 73 4.635 -6.297 0.918 1.00 0.92 H new ATOM 0 HB2 LEU A 73 5.978 -3.904 0.588 1.00 0.86 H new ATOM 0 HB3 LEU A 73 4.579 -3.662 -0.439 1.00 0.86 H new ATOM 0 HG LEU A 73 3.130 -4.522 1.482 1.00 1.36 H new ATOM 0 HD11 LEU A 73 4.192 -4.415 3.763 1.00 1.93 H new ATOM 0 HD12 LEU A 73 4.982 -5.639 2.742 1.00 1.93 H new ATOM 0 HD13 LEU A 73 5.759 -4.059 2.998 1.00 1.93 H new ATOM 0 HD21 LEU A 73 3.187 -2.412 2.787 1.00 2.03 H new ATOM 0 HD22 LEU A 73 4.753 -2.003 2.046 1.00 2.03 H new ATOM 0 HD23 LEU A 73 3.290 -2.103 1.037 1.00 2.03 H new ATOM 1166 N GLN A 74 4.056 -7.336 -1.441 1.00 0.82 N ATOM 1167 CA GLN A 74 3.236 -7.976 -2.523 1.00 1.10 C ATOM 1168 C GLN A 74 2.333 -6.998 -3.282 1.00 1.16 C ATOM 1169 O GLN A 74 1.231 -6.722 -2.857 1.00 1.32 O ATOM 1170 CB GLN A 74 2.381 -9.072 -1.870 1.00 1.32 C ATOM 1171 CG GLN A 74 3.285 -10.192 -1.327 1.00 1.69 C ATOM 1172 CD GLN A 74 2.448 -11.218 -0.549 1.00 2.46 C ATOM 1173 OE1 GLN A 74 1.532 -11.816 -1.077 1.00 3.56 O ATOM 1174 NE2 GLN A 74 2.730 -11.446 0.704 1.00 3.31 N ATOM 0 H GLN A 74 4.685 -7.993 -0.980 1.00 0.82 H new ATOM 0 HA GLN A 74 3.923 -8.378 -3.268 1.00 1.10 H new ATOM 0 HB2 GLN A 74 1.788 -8.648 -1.060 1.00 1.32 H new ATOM 0 HB3 GLN A 74 1.680 -9.480 -2.598 1.00 1.32 H new ATOM 0 HG2 GLN A 74 3.802 -10.683 -2.151 1.00 1.69 H new ATOM 0 HG3 GLN A 74 4.051 -9.768 -0.677 1.00 1.69 H new ATOM 0 HE21 GLN A 74 3.498 -10.947 1.153 1.00 3.31 H new ATOM 0 HE22 GLN A 74 2.183 -12.123 1.235 1.00 3.31 H new ATOM 1183 N TYR A 75 2.791 -6.536 -4.417 1.00 1.28 N ATOM 1184 CA TYR A 75 1.978 -5.574 -5.229 1.00 1.37 C ATOM 1185 C TYR A 75 1.706 -6.140 -6.632 1.00 1.46 C ATOM 1186 O TYR A 75 2.371 -7.075 -7.053 1.00 1.36 O ATOM 1187 CB TYR A 75 2.765 -4.258 -5.332 1.00 1.43 C ATOM 1188 CG TYR A 75 4.134 -4.518 -5.986 1.00 1.38 C ATOM 1189 CD1 TYR A 75 5.165 -5.082 -5.258 1.00 1.22 C ATOM 1190 CD2 TYR A 75 4.338 -4.248 -7.324 1.00 1.65 C ATOM 1191 CE1 TYR A 75 6.371 -5.382 -5.863 1.00 1.35 C ATOM 1192 CE2 TYR A 75 5.546 -4.539 -7.924 1.00 1.73 C ATOM 1193 CZ TYR A 75 6.568 -5.113 -7.203 1.00 1.58 C ATOM 1194 OH TYR A 75 7.747 -5.459 -7.832 1.00 1.82 O ATOM 0 H TYR A 75 3.695 -6.783 -4.820 1.00 1.28 H new ATOM 0 HA TYR A 75 1.014 -5.405 -4.748 1.00 1.37 H new ATOM 0 HB2 TYR A 75 2.203 -3.533 -5.920 1.00 1.43 H new ATOM 0 HB3 TYR A 75 2.902 -3.827 -4.340 1.00 1.43 H new ATOM 0 HD1 TYR A 75 5.027 -5.290 -4.207 1.00 1.22 H new ATOM 0 HD2 TYR A 75 3.544 -3.805 -7.907 1.00 1.65 H new ATOM 0 HE1 TYR A 75 7.165 -5.830 -5.284 1.00 1.35 H new ATOM 0 HE2 TYR A 75 5.691 -4.314 -8.970 1.00 1.73 H new ATOM 0 HH TYR A 75 8.333 -4.675 -7.882 1.00 1.82 H new ATOM 1204 N GLU A 76 0.705 -5.593 -7.296 1.00 1.65 N ATOM 1205 CA GLU A 76 0.377 -6.060 -8.681 1.00 1.82 C ATOM 1206 C GLU A 76 -0.479 -5.011 -9.422 1.00 1.66 C ATOM 1207 O GLU A 76 -1.227 -4.260 -8.804 1.00 1.60 O ATOM 1208 CB GLU A 76 -0.393 -7.398 -8.607 1.00 1.95 C ATOM 1209 CG GLU A 76 -1.819 -7.186 -8.073 1.00 2.09 C ATOM 1210 CD GLU A 76 -2.549 -8.529 -7.961 1.00 2.19 C ATOM 1211 OE1 GLU A 76 -3.093 -8.948 -8.970 1.00 3.09 O ATOM 1212 OE2 GLU A 76 -2.562 -9.053 -6.861 1.00 2.70 O ATOM 0 H GLU A 76 0.107 -4.848 -6.937 1.00 1.65 H new ATOM 0 HA GLU A 76 1.308 -6.200 -9.231 1.00 1.82 H new ATOM 0 HB2 GLU A 76 -0.436 -7.852 -9.597 1.00 1.95 H new ATOM 0 HB3 GLU A 76 0.141 -8.094 -7.960 1.00 1.95 H new ATOM 0 HG2 GLU A 76 -1.781 -6.702 -7.097 1.00 2.09 H new ATOM 0 HG3 GLU A 76 -2.369 -6.520 -8.738 1.00 2.09 H new ATOM 1219 N VAL A 77 -0.353 -4.977 -10.730 1.00 1.82 N ATOM 1220 CA VAL A 77 -1.163 -4.022 -11.553 1.00 1.84 C ATOM 1221 C VAL A 77 -1.965 -4.860 -12.573 1.00 2.03 C ATOM 1222 O VAL A 77 -1.462 -5.861 -13.058 1.00 2.40 O ATOM 1223 CB VAL A 77 -0.198 -3.038 -12.246 1.00 2.17 C ATOM 1224 CG1 VAL A 77 0.678 -3.772 -13.277 1.00 2.27 C ATOM 1225 CG2 VAL A 77 -0.992 -1.909 -12.934 1.00 4.07 C ATOM 0 H VAL A 77 0.279 -5.573 -11.264 1.00 1.82 H new ATOM 0 HA VAL A 77 -1.859 -3.439 -10.950 1.00 1.84 H new ATOM 0 HB VAL A 77 0.452 -2.602 -11.487 1.00 2.17 H new ATOM 0 HG11 VAL A 77 1.352 -3.060 -13.755 1.00 2.27 H new ATOM 0 HG12 VAL A 77 1.262 -4.543 -12.775 1.00 2.27 H new ATOM 0 HG13 VAL A 77 0.042 -4.233 -14.033 1.00 2.27 H new ATOM 0 HG21 VAL A 77 -0.300 -1.221 -13.419 1.00 4.07 H new ATOM 0 HG22 VAL A 77 -1.661 -2.337 -13.680 1.00 4.07 H new ATOM 0 HG23 VAL A 77 -1.577 -1.370 -12.189 1.00 4.07 H new ATOM 1235 N LEU A 78 -3.168 -4.443 -12.907 1.00 2.49 N ATOM 1236 CA LEU A 78 -3.973 -5.273 -13.873 1.00 2.82 C ATOM 1237 C LEU A 78 -4.523 -4.483 -15.075 1.00 3.18 C ATOM 1238 O LEU A 78 -5.665 -4.668 -15.457 1.00 3.57 O ATOM 1239 CB LEU A 78 -5.136 -5.929 -13.101 1.00 2.78 C ATOM 1240 CG LEU A 78 -6.031 -4.858 -12.438 1.00 3.11 C ATOM 1241 CD1 LEU A 78 -7.460 -4.983 -12.988 1.00 4.07 C ATOM 1242 CD2 LEU A 78 -6.061 -5.075 -10.919 1.00 3.16 C ATOM 0 H LEU A 78 -3.618 -3.593 -12.567 1.00 2.49 H new ATOM 0 HA LEU A 78 -3.299 -6.019 -14.295 1.00 2.82 H new ATOM 0 HB2 LEU A 78 -5.732 -6.537 -13.781 1.00 2.78 H new ATOM 0 HB3 LEU A 78 -4.739 -6.600 -12.339 1.00 2.78 H new ATOM 0 HG LEU A 78 -5.631 -3.868 -12.657 1.00 3.11 H new ATOM 0 HD11 LEU A 78 -8.096 -4.229 -12.523 1.00 4.07 H new ATOM 0 HD12 LEU A 78 -7.449 -4.833 -14.068 1.00 4.07 H new ATOM 0 HD13 LEU A 78 -7.851 -5.976 -12.764 1.00 4.07 H new ATOM 0 HD21 LEU A 78 -6.693 -4.318 -10.456 1.00 3.16 H new ATOM 0 HD22 LEU A 78 -6.461 -6.065 -10.701 1.00 3.16 H new ATOM 0 HD23 LEU A 78 -5.050 -4.997 -10.520 1.00 3.16 H new ATOM 1254 N ILE A 79 -3.719 -3.651 -15.658 1.00 3.87 N ATOM 1255 CA ILE A 79 -4.188 -2.881 -16.831 1.00 4.67 C ATOM 1256 C ILE A 79 -3.012 -2.746 -17.786 1.00 5.75 C ATOM 1257 O ILE A 79 -1.915 -2.465 -17.357 1.00 6.42 O ATOM 1258 CB ILE A 79 -4.720 -1.504 -16.376 1.00 5.89 C ATOM 1259 CG1 ILE A 79 -5.026 -0.626 -17.606 1.00 7.27 C ATOM 1260 CG2 ILE A 79 -3.689 -0.808 -15.478 1.00 6.24 C ATOM 1261 CD1 ILE A 79 -5.821 0.619 -17.190 1.00 8.60 C ATOM 0 H ILE A 79 -2.756 -3.470 -15.373 1.00 3.87 H new ATOM 0 HA ILE A 79 -5.010 -3.388 -17.337 1.00 4.67 H new ATOM 0 HB ILE A 79 -5.638 -1.652 -15.807 1.00 5.89 H new ATOM 0 HG12 ILE A 79 -4.095 -0.327 -18.088 1.00 7.27 H new ATOM 0 HG13 ILE A 79 -5.594 -1.200 -18.338 1.00 7.27 H new ATOM 0 HG21 ILE A 79 -4.076 0.162 -15.164 1.00 6.24 H new ATOM 0 HG22 ILE A 79 -3.497 -1.424 -14.600 1.00 6.24 H new ATOM 0 HG23 ILE A 79 -2.761 -0.666 -16.032 1.00 6.24 H new ATOM 0 HD11 ILE A 79 -6.029 1.228 -18.069 1.00 8.60 H new ATOM 0 HD12 ILE A 79 -6.761 0.314 -16.730 1.00 8.60 H new ATOM 0 HD13 ILE A 79 -5.239 1.200 -16.475 1.00 8.60 H new ATOM 1273 N ASN A 80 -3.265 -3.069 -19.025 1.00 6.54 N ATOM 1274 CA ASN A 80 -2.220 -2.971 -20.104 1.00 8.16 C ATOM 1275 C ASN A 80 -1.156 -1.912 -19.773 1.00 9.15 C ATOM 1276 O ASN A 80 0.022 -2.139 -19.973 1.00 10.02 O ATOM 1277 CB ASN A 80 -2.912 -2.600 -21.421 1.00 9.88 C ATOM 1278 CG ASN A 80 -1.928 -2.622 -22.599 1.00 11.23 C ATOM 1279 OD1 ASN A 80 -2.283 -2.285 -23.703 1.00 12.44 O ATOM 1280 ND2 ASN A 80 -0.698 -3.018 -22.440 1.00 11.34 N ATOM 0 H ASN A 80 -4.172 -3.405 -19.349 1.00 6.54 H new ATOM 0 HA ASN A 80 -1.716 -3.934 -20.185 1.00 8.16 H new ATOM 0 HB2 ASN A 80 -3.728 -3.297 -21.614 1.00 9.88 H new ATOM 0 HB3 ASN A 80 -3.355 -1.608 -21.334 1.00 9.88 H new ATOM 0 HD21 ASN A 80 -0.062 -3.038 -23.237 1.00 11.34 H new ATOM 0 HD22 ASN A 80 -0.371 -3.308 -21.519 1.00 11.34 H new ATOM 1287 N ASN A 81 -1.626 -0.766 -19.343 1.00 9.52 N ATOM 1288 CA ASN A 81 -0.718 0.359 -18.972 1.00 10.97 C ATOM 1289 C ASN A 81 -0.987 0.774 -17.515 1.00 11.00 C ATOM 1290 O ASN A 81 -0.107 0.536 -16.708 1.00 11.22 O ATOM 1291 CB ASN A 81 -0.998 1.535 -19.922 1.00 12.46 C ATOM 1292 CG ASN A 81 -0.292 2.799 -19.428 1.00 13.78 C ATOM 1293 OD1 ASN A 81 0.696 3.241 -19.971 1.00 15.16 O ATOM 1294 ND2 ASN A 81 -0.774 3.422 -18.406 1.00 13.72 N ATOM 1295 OXT ASN A 81 -2.084 1.321 -17.273 1.00 11.25 O ATOM 0 H ASN A 81 -2.619 -0.562 -19.232 1.00 9.52 H new ATOM 0 HA ASN A 81 0.325 0.055 -19.059 1.00 10.97 H new ATOM 0 HB2 ASN A 81 -0.655 1.289 -20.927 1.00 12.46 H new ATOM 0 HB3 ASN A 81 -2.072 1.712 -19.986 1.00 12.46 H new ATOM 0 HD21 ASN A 81 -0.323 4.272 -18.068 1.00 13.72 H new ATOM 0 HD22 ASN A 81 -1.606 3.064 -17.936 1.00 13.72 H new TER 1302 ASN A 81