USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.147 USER MOD Single : A 98 SER OG : rot 79:sc= 0.755 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.1! C(o=-4.1!,f=-4.3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -112:sc= -2.24 (180deg=-12.1!) USER MOD Single : A 122 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.1) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 41:sc= 0.914 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 137 MET CE :methyl -148:sc= -4.9! (180deg=-5.99!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.53! K(o=-2.5!,f=-2) USER MOD Single : A 144 ASN : amide:sc= -0.629 K(o=-0.63,f=0.29) USER MOD Single : A 150 TYR OH : rot 157:sc= -0.947 USER MOD Single : A 157 MET CE :methyl 164:sc= -2.3 (180deg=-4.12!) USER MOD Single : A 158 LYS NZ :NH3+ -143:sc= -0.0463 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.817 4.853 1.901 1.00 1.27 N ATOM 28 CA LYS A 92 7.300 3.458 1.785 1.00 1.47 C ATOM 29 C LYS A 92 5.770 3.458 1.848 1.00 1.40 C ATOM 30 O LYS A 92 5.099 3.595 0.844 1.00 1.56 O ATOM 31 CB LYS A 92 7.888 2.716 2.985 1.00 1.61 C ATOM 32 CG LYS A 92 9.339 2.331 2.690 1.00 1.94 C ATOM 33 CD LYS A 92 10.219 2.698 3.887 1.00 2.31 C ATOM 34 CE LYS A 92 11.563 1.976 3.771 1.00 2.59 C ATOM 35 NZ LYS A 92 11.405 0.740 4.586 1.00 3.20 N ATOM 0 HA LYS A 92 7.580 2.989 0.842 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.842 3.346 3.873 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.300 1.823 3.197 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.409 1.262 2.488 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.689 2.848 1.796 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.375 3.776 3.921 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.723 2.419 4.816 1.00 2.31 H new ATOM 0 HE2 LYS A 92 11.795 1.738 2.733 1.00 2.59 H new ATOM 0 HE3 LYS A 92 12.378 2.595 4.146 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 12.287 0.190 4.556 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.191 0.998 5.570 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 10.627 0.168 4.201 1.00 3.20 H new ATOM 49 N SER A 93 5.213 3.312 3.020 1.00 1.38 N ATOM 50 CA SER A 93 3.728 3.310 3.144 1.00 1.40 C ATOM 51 C SER A 93 3.234 4.712 3.509 1.00 1.20 C ATOM 52 O SER A 93 3.985 5.666 3.484 1.00 1.08 O ATOM 53 CB SER A 93 3.426 2.321 4.269 1.00 1.60 C ATOM 54 OG SER A 93 3.705 2.934 5.521 1.00 2.20 O ATOM 0 H SER A 93 5.722 3.194 3.896 1.00 1.38 H new ATOM 0 HA SER A 93 3.232 3.029 2.215 1.00 1.40 H new ATOM 0 HB2 SER A 93 2.381 2.013 4.227 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.029 1.421 4.149 1.00 1.60 H new ATOM 0 HG SER A 93 3.511 2.303 6.245 1.00 2.20 H new ATOM 60 N GLU A 94 1.981 4.847 3.848 1.00 1.26 N ATOM 61 CA GLU A 94 1.457 6.195 4.211 1.00 1.17 C ATOM 62 C GLU A 94 2.043 6.648 5.550 1.00 1.12 C ATOM 63 O GLU A 94 1.880 7.781 5.958 1.00 1.09 O ATOM 64 CB GLU A 94 -0.058 6.025 4.314 1.00 1.33 C ATOM 65 CG GLU A 94 -0.741 7.130 3.505 1.00 1.28 C ATOM 66 CD GLU A 94 -1.925 6.544 2.734 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.706 6.040 1.645 1.00 2.09 O ATOM 68 OE2 GLU A 94 -3.031 6.611 3.245 1.00 1.94 O ATOM 0 H GLU A 94 1.301 4.088 3.889 1.00 1.26 H new ATOM 0 HA GLU A 94 1.728 6.952 3.475 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.353 5.046 3.937 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.372 6.073 5.357 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.084 7.923 4.170 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.030 7.580 2.812 1.00 1.28 H new ATOM 75 N GLU A 95 2.727 5.774 6.236 1.00 1.19 N ATOM 76 CA GLU A 95 3.326 6.160 7.546 1.00 1.23 C ATOM 77 C GLU A 95 4.361 7.270 7.341 1.00 1.03 C ATOM 78 O GLU A 95 4.135 8.413 7.685 1.00 1.01 O ATOM 79 CB GLU A 95 3.994 4.887 8.064 1.00 1.45 C ATOM 80 CG GLU A 95 2.951 4.008 8.757 1.00 1.90 C ATOM 81 CD GLU A 95 3.139 4.087 10.273 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.341 5.184 10.769 1.00 2.49 O ATOM 83 OE2 GLU A 95 3.079 3.050 10.912 1.00 2.66 O ATOM 0 H GLU A 95 2.897 4.811 5.947 1.00 1.19 H new ATOM 0 HA GLU A 95 2.585 6.543 8.248 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.453 4.343 7.238 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.792 5.141 8.761 1.00 1.45 H new ATOM 0 HG2 GLU A 95 1.947 4.336 8.487 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.050 2.976 8.421 1.00 1.90 H new ATOM 90 N GLU A 96 5.492 6.945 6.776 1.00 1.02 N ATOM 91 CA GLU A 96 6.535 7.985 6.542 1.00 0.94 C ATOM 92 C GLU A 96 6.069 8.947 5.445 1.00 0.79 C ATOM 93 O GLU A 96 6.488 10.085 5.380 1.00 0.82 O ATOM 94 CB GLU A 96 7.773 7.210 6.087 1.00 1.15 C ATOM 95 CG GLU A 96 9.001 7.717 6.845 1.00 1.62 C ATOM 96 CD GLU A 96 10.089 6.641 6.834 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.794 5.532 6.420 1.00 2.78 O ATOM 98 OE2 GLU A 96 11.199 6.944 7.242 1.00 2.18 O ATOM 0 H GLU A 96 5.739 6.005 6.466 1.00 1.02 H new ATOM 0 HA GLU A 96 6.737 8.583 7.431 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.635 6.144 6.269 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.918 7.334 5.014 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.374 8.631 6.384 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.731 7.965 7.871 1.00 1.62 H new ATOM 105 N LEU A 97 5.202 8.490 4.586 1.00 0.77 N ATOM 106 CA LEU A 97 4.694 9.361 3.487 1.00 0.71 C ATOM 107 C LEU A 97 4.110 10.656 4.059 1.00 0.67 C ATOM 108 O LEU A 97 4.204 11.710 3.461 1.00 0.75 O ATOM 109 CB LEU A 97 3.595 8.530 2.821 1.00 0.80 C ATOM 110 CG LEU A 97 4.055 8.055 1.439 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.948 9.211 0.444 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.506 7.570 1.512 1.00 1.22 C ATOM 0 H LEU A 97 4.820 7.544 4.597 1.00 0.77 H new ATOM 0 HA LEU A 97 5.479 9.652 2.789 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.349 7.671 3.446 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.687 9.125 2.725 1.00 0.80 H new ATOM 0 HG LEU A 97 3.421 7.232 1.111 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.275 8.875 -0.540 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.913 9.548 0.387 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.580 10.035 0.775 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.827 7.234 0.526 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.147 8.387 1.843 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.578 6.743 2.219 1.00 1.22 H new ATOM 124 N SER A 98 3.499 10.582 5.210 1.00 0.69 N ATOM 125 CA SER A 98 2.898 11.803 5.820 1.00 0.76 C ATOM 126 C SER A 98 3.988 12.706 6.407 1.00 0.72 C ATOM 127 O SER A 98 3.775 13.881 6.633 1.00 0.77 O ATOM 128 CB SER A 98 1.985 11.277 6.926 1.00 0.92 C ATOM 129 OG SER A 98 0.935 12.208 7.152 1.00 1.57 O ATOM 0 H SER A 98 3.390 9.727 5.756 1.00 0.69 H new ATOM 0 HA SER A 98 2.357 12.404 5.089 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.573 10.308 6.643 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.555 11.125 7.842 1.00 0.92 H new ATOM 0 HG SER A 98 0.252 12.106 6.457 1.00 1.57 H new ATOM 135 N ASP A 99 5.151 12.171 6.656 1.00 0.80 N ATOM 136 CA ASP A 99 6.244 13.008 7.229 1.00 0.86 C ATOM 137 C ASP A 99 7.059 13.657 6.106 1.00 0.81 C ATOM 138 O ASP A 99 7.153 14.863 6.013 1.00 0.91 O ATOM 139 CB ASP A 99 7.111 12.039 8.032 1.00 1.02 C ATOM 140 CG ASP A 99 6.215 11.128 8.873 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.680 10.181 8.321 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.080 11.393 10.057 1.00 1.83 O ATOM 0 H ASP A 99 5.392 11.194 6.489 1.00 0.80 H new ATOM 0 HA ASP A 99 5.860 13.817 7.850 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.726 11.441 7.359 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.792 12.593 8.678 1.00 1.02 H new ATOM 147 N LEU A 100 7.651 12.868 5.252 1.00 0.75 N ATOM 148 CA LEU A 100 8.457 13.451 4.141 1.00 0.76 C ATOM 149 C LEU A 100 7.633 14.498 3.385 1.00 0.68 C ATOM 150 O LEU A 100 8.169 15.429 2.816 1.00 0.79 O ATOM 151 CB LEU A 100 8.798 12.269 3.233 1.00 0.86 C ATOM 152 CG LEU A 100 7.550 11.833 2.466 1.00 0.79 C ATOM 153 CD1 LEU A 100 7.469 12.598 1.144 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.630 10.332 2.178 1.00 1.41 C ATOM 0 H LEU A 100 7.612 11.849 5.274 1.00 0.75 H new ATOM 0 HA LEU A 100 9.354 13.955 4.500 1.00 0.76 H new ATOM 0 HB2 LEU A 100 9.586 12.550 2.535 1.00 0.86 H new ATOM 0 HB3 LEU A 100 9.180 11.439 3.828 1.00 0.86 H new ATOM 0 HG LEU A 100 6.664 12.045 3.064 1.00 0.79 H new ATOM 0 HD11 LEU A 100 6.579 12.287 0.597 1.00 1.41 H new ATOM 0 HD12 LEU A 100 7.415 13.668 1.345 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.355 12.385 0.546 1.00 1.41 H new ATOM 0 HD21 LEU A 100 6.741 10.019 1.631 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.517 10.123 1.579 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.690 9.784 3.118 1.00 1.41 H new ATOM 166 N PHE A 101 6.335 14.359 3.378 1.00 0.60 N ATOM 167 CA PHE A 101 5.485 15.354 2.663 1.00 0.59 C ATOM 168 C PHE A 101 5.670 16.740 3.284 1.00 0.60 C ATOM 169 O PHE A 101 6.052 17.684 2.621 1.00 0.72 O ATOM 170 CB PHE A 101 4.048 14.869 2.859 1.00 0.61 C ATOM 171 CG PHE A 101 3.090 15.942 2.399 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.698 16.002 1.056 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.596 16.879 3.314 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.814 16.999 0.629 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.711 17.876 2.887 1.00 0.73 C ATOM 176 CZ PHE A 101 1.319 17.935 1.544 1.00 0.69 C ATOM 0 H PHE A 101 5.827 13.602 3.835 1.00 0.60 H new ATOM 0 HA PHE A 101 5.744 15.436 1.607 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.882 13.951 2.295 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.872 14.634 3.909 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.078 15.279 0.350 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.898 16.833 4.350 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.514 17.046 -0.407 1.00 0.90 H new ATOM 0 HE2 PHE A 101 1.331 18.599 3.593 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.635 18.703 1.214 1.00 0.69 H new ATOM 186 N ARG A 102 5.403 16.867 4.555 1.00 0.67 N ATOM 187 CA ARG A 102 5.567 18.190 5.224 1.00 0.76 C ATOM 188 C ARG A 102 7.052 18.492 5.430 1.00 0.68 C ATOM 189 O ARG A 102 7.430 19.597 5.767 1.00 0.78 O ATOM 190 CB ARG A 102 4.857 18.045 6.571 1.00 0.99 C ATOM 191 CG ARG A 102 5.355 16.782 7.278 1.00 1.30 C ATOM 192 CD ARG A 102 5.383 17.008 8.793 1.00 1.45 C ATOM 193 NE ARG A 102 4.129 17.751 9.103 1.00 2.12 N ATOM 194 CZ ARG A 102 2.975 17.141 9.064 1.00 2.71 C ATOM 195 NH1 ARG A 102 2.914 15.872 8.756 1.00 3.07 N ATOM 196 NH2 ARG A 102 1.881 17.799 9.333 1.00 3.37 N ATOM 0 H ARG A 102 5.078 16.112 5.160 1.00 0.67 H new ATOM 0 HA ARG A 102 5.153 19.007 4.633 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.048 18.921 7.191 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.779 17.990 6.422 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.704 15.941 7.039 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.352 16.525 6.922 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.422 16.061 9.331 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.262 17.580 9.089 1.00 1.45 H new ATOM 0 HE ARG A 102 4.172 18.741 9.347 1.00 2.12 H new ATOM 0 HH11 ARG A 102 3.769 15.357 8.546 1.00 3.07 H new ATOM 0 HH12 ARG A 102 2.012 15.397 8.726 1.00 3.07 H new ATOM 0 HH21 ARG A 102 1.927 18.789 9.574 1.00 3.37 H new ATOM 0 HH22 ARG A 102 0.979 17.323 9.303 1.00 3.37 H new ATOM 210 N MET A 103 7.898 17.518 5.229 1.00 0.71 N ATOM 211 CA MET A 103 9.359 17.749 5.414 1.00 0.75 C ATOM 212 C MET A 103 9.907 18.606 4.270 1.00 0.68 C ATOM 213 O MET A 103 10.594 19.584 4.488 1.00 0.83 O ATOM 214 CB MET A 103 9.987 16.355 5.388 1.00 0.93 C ATOM 215 CG MET A 103 11.391 16.416 5.993 1.00 1.27 C ATOM 216 SD MET A 103 12.583 15.724 4.820 1.00 1.82 S ATOM 217 CE MET A 103 13.828 15.216 6.032 1.00 2.43 C ATOM 0 H MET A 103 7.641 16.573 4.945 1.00 0.71 H new ATOM 0 HA MET A 103 9.580 18.278 6.341 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.368 15.655 5.949 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.037 15.986 4.364 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.653 17.448 6.228 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.420 15.858 6.929 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.670 14.755 5.517 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.175 16.089 6.585 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.389 14.498 6.725 1.00 2.43 H new ATOM 227 N PHE A 104 9.609 18.246 3.052 1.00 0.68 N ATOM 228 CA PHE A 104 10.114 19.040 1.895 1.00 0.79 C ATOM 229 C PHE A 104 9.337 20.354 1.777 1.00 0.71 C ATOM 230 O PHE A 104 9.720 21.250 1.052 1.00 0.88 O ATOM 231 CB PHE A 104 9.868 18.156 0.672 1.00 0.94 C ATOM 232 CG PHE A 104 10.667 16.881 0.803 1.00 1.31 C ATOM 233 CD1 PHE A 104 12.052 16.940 0.998 1.00 1.26 C ATOM 234 CD2 PHE A 104 10.023 15.640 0.729 1.00 2.03 C ATOM 235 CE1 PHE A 104 12.793 15.758 1.120 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.764 14.458 0.851 1.00 2.65 C ATOM 237 CZ PHE A 104 12.148 14.518 1.046 1.00 2.56 C ATOM 0 H PHE A 104 9.038 17.437 2.807 1.00 0.68 H new ATOM 0 HA PHE A 104 11.166 19.304 2.001 1.00 0.79 H new ATOM 0 HB2 PHE A 104 8.806 17.925 0.585 1.00 0.94 H new ATOM 0 HB3 PHE A 104 10.155 18.686 -0.236 1.00 0.94 H new ATOM 0 HD1 PHE A 104 12.549 17.897 1.054 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.955 15.594 0.578 1.00 2.03 H new ATOM 0 HE1 PHE A 104 13.861 15.803 1.271 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.267 13.501 0.795 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.719 13.606 1.140 1.00 2.56 H new ATOM 247 N ASP A 105 8.248 20.477 2.487 1.00 0.61 N ATOM 248 CA ASP A 105 7.451 21.735 2.415 1.00 0.60 C ATOM 249 C ASP A 105 8.193 22.869 3.128 1.00 0.56 C ATOM 250 O ASP A 105 7.728 23.404 4.115 1.00 0.63 O ATOM 251 CB ASP A 105 6.140 21.415 3.135 1.00 0.68 C ATOM 252 CG ASP A 105 5.052 22.383 2.666 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.398 23.476 2.250 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.891 22.014 2.732 1.00 1.45 O ATOM 0 H ASP A 105 7.876 19.762 3.113 1.00 0.61 H new ATOM 0 HA ASP A 105 7.282 22.061 1.389 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.841 20.387 2.929 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.275 21.498 4.213 1.00 0.68 H new ATOM 259 N LYS A 106 9.345 23.238 2.637 1.00 0.59 N ATOM 260 CA LYS A 106 10.116 24.335 3.289 1.00 0.66 C ATOM 261 C LYS A 106 9.199 25.524 3.586 1.00 0.55 C ATOM 262 O LYS A 106 9.417 26.270 4.520 1.00 0.63 O ATOM 263 CB LYS A 106 11.187 24.727 2.271 1.00 0.87 C ATOM 264 CG LYS A 106 12.476 25.099 3.006 1.00 1.21 C ATOM 265 CD LYS A 106 13.658 25.007 2.041 1.00 1.61 C ATOM 266 CE LYS A 106 14.789 24.210 2.695 1.00 1.77 C ATOM 267 NZ LYS A 106 15.176 23.187 1.683 1.00 2.14 N ATOM 0 H LYS A 106 9.785 22.828 1.813 1.00 0.59 H new ATOM 0 HA LYS A 106 10.550 24.024 4.239 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.372 23.900 1.585 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.842 25.569 1.670 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.399 26.109 3.408 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.631 24.430 3.852 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.348 24.525 1.114 1.00 1.61 H new ATOM 0 HD3 LYS A 106 14.007 26.006 1.780 1.00 1.61 H new ATOM 0 HE2 LYS A 106 15.631 24.854 2.947 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.457 23.742 3.622 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.948 22.601 2.060 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.356 22.584 1.468 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.494 23.661 0.814 1.00 2.14 H new ATOM 281 N ASN A 107 8.174 25.707 2.800 1.00 0.48 N ATOM 282 CA ASN A 107 7.245 26.848 3.041 1.00 0.50 C ATOM 283 C ASN A 107 6.372 26.566 4.267 1.00 0.58 C ATOM 284 O ASN A 107 5.832 27.466 4.878 1.00 0.70 O ATOM 285 CB ASN A 107 6.391 26.937 1.775 1.00 0.54 C ATOM 286 CG ASN A 107 5.693 28.298 1.723 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.239 29.291 2.162 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.500 28.387 1.202 1.00 0.78 N ATOM 0 H ASN A 107 7.939 25.117 2.002 1.00 0.48 H new ATOM 0 HA ASN A 107 7.774 27.781 3.238 1.00 0.50 H new ATOM 0 HB2 ASN A 107 7.016 26.803 0.892 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.651 26.137 1.766 1.00 0.54 H new ATOM 0 HD21 ASN A 107 4.026 29.290 1.163 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.041 27.554 0.833 1.00 0.78 H new ATOM 295 N ALA A 108 6.234 25.321 4.633 1.00 0.65 N ATOM 296 CA ALA A 108 5.401 24.977 5.823 1.00 0.84 C ATOM 297 C ALA A 108 4.008 25.602 5.704 1.00 0.78 C ATOM 298 O ALA A 108 3.711 26.603 6.327 1.00 0.96 O ATOM 299 CB ALA A 108 6.153 25.571 7.014 1.00 1.03 C ATOM 0 H ALA A 108 6.662 24.525 4.160 1.00 0.65 H new ATOM 0 HA ALA A 108 5.254 23.902 5.923 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.604 25.361 7.932 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.146 25.127 7.075 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.245 26.649 6.885 1.00 1.03 H new ATOM 305 N ASP A 109 3.149 25.020 4.910 1.00 0.73 N ATOM 306 CA ASP A 109 1.777 25.586 4.758 1.00 0.74 C ATOM 307 C ASP A 109 0.735 24.464 4.670 1.00 0.78 C ATOM 308 O ASP A 109 -0.437 24.713 4.472 1.00 0.96 O ATOM 309 CB ASP A 109 1.819 26.378 3.453 1.00 0.72 C ATOM 310 CG ASP A 109 3.058 27.272 3.441 1.00 1.15 C ATOM 311 OD1 ASP A 109 4.111 26.784 3.065 1.00 1.66 O ATOM 312 OD2 ASP A 109 2.935 28.429 3.808 1.00 1.95 O ATOM 0 H ASP A 109 3.337 24.180 4.362 1.00 0.73 H new ATOM 0 HA ASP A 109 1.496 26.208 5.608 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.840 25.697 2.602 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.919 26.984 3.354 1.00 0.72 H new ATOM 317 N GLY A 110 1.148 23.235 4.818 1.00 0.76 N ATOM 318 CA GLY A 110 0.173 22.110 4.745 1.00 0.85 C ATOM 319 C GLY A 110 0.071 21.604 3.304 1.00 0.70 C ATOM 320 O GLY A 110 -0.460 20.542 3.047 1.00 0.73 O ATOM 0 H GLY A 110 2.116 22.962 4.986 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.488 21.300 5.403 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.805 22.441 5.094 1.00 0.85 H new ATOM 324 N TYR A 111 0.572 22.353 2.361 1.00 0.68 N ATOM 325 CA TYR A 111 0.498 21.907 0.939 1.00 0.60 C ATOM 326 C TYR A 111 1.798 22.251 0.207 1.00 0.58 C ATOM 327 O TYR A 111 2.426 23.255 0.476 1.00 0.83 O ATOM 328 CB TYR A 111 -0.678 22.681 0.342 1.00 0.68 C ATOM 329 CG TYR A 111 -1.859 22.604 1.281 1.00 0.68 C ATOM 330 CD1 TYR A 111 -1.935 23.467 2.381 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.876 21.670 1.052 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.029 23.397 3.252 1.00 0.78 C ATOM 333 CE2 TYR A 111 -3.971 21.600 1.923 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.047 22.463 3.024 1.00 0.80 C ATOM 335 OH TYR A 111 -5.125 22.394 3.883 1.00 0.90 O ATOM 0 H TYR A 111 1.029 23.253 2.512 1.00 0.68 H new ATOM 0 HA TYR A 111 0.362 20.829 0.851 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.397 23.721 0.178 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.945 22.266 -0.630 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.150 24.187 2.558 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.817 21.004 0.204 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.088 24.063 4.100 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.757 20.881 1.746 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.740 21.694 3.580 1.00 0.90 H new ATOM 345 N ILE A 112 2.208 21.422 -0.715 1.00 0.50 N ATOM 346 CA ILE A 112 3.470 21.700 -1.461 1.00 0.50 C ATOM 347 C ILE A 112 3.159 22.385 -2.796 1.00 0.49 C ATOM 348 O ILE A 112 2.530 21.816 -3.666 1.00 0.66 O ATOM 349 CB ILE A 112 4.098 20.326 -1.697 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.496 19.710 -0.354 1.00 0.62 C ATOM 351 CG2 ILE A 112 5.342 20.477 -2.574 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.778 18.218 -0.541 1.00 0.66 C ATOM 0 H ILE A 112 1.724 20.565 -0.984 1.00 0.50 H new ATOM 0 HA ILE A 112 4.136 22.366 -0.912 1.00 0.50 H new ATOM 0 HB ILE A 112 3.377 19.679 -2.196 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.380 20.211 0.041 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.697 19.852 0.374 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.790 19.498 -2.742 1.00 0.58 H new ATOM 0 HG22 ILE A 112 5.061 20.917 -3.531 1.00 0.58 H new ATOM 0 HG23 ILE A 112 6.063 21.124 -2.075 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.062 17.779 0.415 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.883 17.723 -0.917 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.591 18.088 -1.255 1.00 0.66 H new ATOM 364 N ASP A 113 3.598 23.603 -2.965 1.00 0.47 N ATOM 365 CA ASP A 113 3.330 24.324 -4.243 1.00 0.50 C ATOM 366 C ASP A 113 4.411 23.989 -5.276 1.00 0.50 C ATOM 367 O ASP A 113 5.376 23.313 -4.981 1.00 0.57 O ATOM 368 CB ASP A 113 3.376 25.809 -3.877 1.00 0.60 C ATOM 369 CG ASP A 113 2.251 26.127 -2.891 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.266 25.407 -2.893 1.00 1.85 O ATOM 371 OD2 ASP A 113 2.392 27.087 -2.150 1.00 1.77 O ATOM 0 H ASP A 113 4.131 24.130 -2.273 1.00 0.47 H new ATOM 0 HA ASP A 113 2.373 24.043 -4.684 1.00 0.50 H new ATOM 0 HB2 ASP A 113 4.341 26.056 -3.435 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.271 26.419 -4.774 1.00 0.60 H new ATOM 376 N LEU A 114 4.254 24.455 -6.486 1.00 0.52 N ATOM 377 CA LEU A 114 5.271 24.160 -7.539 1.00 0.57 C ATOM 378 C LEU A 114 6.628 24.756 -7.152 1.00 0.63 C ATOM 379 O LEU A 114 7.667 24.251 -7.527 1.00 0.80 O ATOM 380 CB LEU A 114 4.735 24.830 -8.805 1.00 0.62 C ATOM 381 CG LEU A 114 3.471 24.105 -9.273 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.261 25.026 -9.105 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.621 23.727 -10.748 1.00 0.81 C ATOM 0 H LEU A 114 3.467 25.027 -6.792 1.00 0.52 H new ATOM 0 HA LEU A 114 5.423 23.089 -7.675 1.00 0.57 H new ATOM 0 HB2 LEU A 114 4.513 25.879 -8.608 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.492 24.807 -9.589 1.00 0.62 H new ATOM 0 HG LEU A 114 3.326 23.204 -8.677 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.361 24.509 -9.439 1.00 0.91 H new ATOM 0 HD12 LEU A 114 2.155 25.299 -8.055 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.404 25.927 -9.702 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.722 23.210 -11.084 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.765 24.630 -11.342 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.483 23.071 -10.870 1.00 0.81 H new ATOM 395 N ASP A 115 6.626 25.827 -6.407 1.00 0.61 N ATOM 396 CA ASP A 115 7.916 26.456 -6.000 1.00 0.71 C ATOM 397 C ASP A 115 8.642 25.572 -4.982 1.00 0.65 C ATOM 398 O ASP A 115 9.846 25.410 -5.034 1.00 0.89 O ATOM 399 CB ASP A 115 7.525 27.791 -5.365 1.00 0.80 C ATOM 400 CG ASP A 115 8.161 28.938 -6.153 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.544 29.393 -7.102 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.254 29.343 -5.793 1.00 1.76 O ATOM 0 H ASP A 115 5.788 26.294 -6.062 1.00 0.61 H new ATOM 0 HA ASP A 115 8.592 26.588 -6.845 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.440 27.898 -5.358 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.855 27.822 -4.327 1.00 0.80 H new ATOM 407 N GLU A 116 7.922 25.002 -4.055 1.00 0.51 N ATOM 408 CA GLU A 116 8.575 24.133 -3.034 1.00 0.48 C ATOM 409 C GLU A 116 8.911 22.765 -3.634 1.00 0.49 C ATOM 410 O GLU A 116 9.732 22.035 -3.115 1.00 0.63 O ATOM 411 CB GLU A 116 7.543 23.991 -1.913 1.00 0.48 C ATOM 412 CG GLU A 116 7.054 25.378 -1.489 1.00 0.57 C ATOM 413 CD GLU A 116 5.681 25.255 -0.828 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.369 24.175 -0.352 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.963 26.241 -0.809 1.00 1.19 O ATOM 0 H GLU A 116 6.911 25.100 -3.960 1.00 0.51 H new ATOM 0 HA GLU A 116 9.512 24.557 -2.673 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.703 23.386 -2.253 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.985 23.474 -1.061 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.764 25.829 -0.796 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.994 26.035 -2.357 1.00 0.57 H new ATOM 422 N LEU A 117 8.287 22.412 -4.726 1.00 0.48 N ATOM 423 CA LEU A 117 8.581 21.091 -5.354 1.00 0.52 C ATOM 424 C LEU A 117 10.005 21.085 -5.916 1.00 0.58 C ATOM 425 O LEU A 117 10.828 20.276 -5.536 1.00 0.69 O ATOM 426 CB LEU A 117 7.555 20.946 -6.480 1.00 0.55 C ATOM 427 CG LEU A 117 6.181 20.634 -5.884 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.104 20.817 -6.956 1.00 0.58 C ATOM 429 CD2 LEU A 117 6.159 19.188 -5.385 1.00 0.53 C ATOM 0 H LEU A 117 7.589 22.978 -5.209 1.00 0.48 H new ATOM 0 HA LEU A 117 8.516 20.269 -4.641 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.509 21.865 -7.065 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.857 20.150 -7.161 1.00 0.55 H new ATOM 0 HG LEU A 117 5.985 21.311 -5.052 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.126 20.594 -6.530 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.118 21.846 -7.314 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.300 20.141 -7.788 1.00 0.58 H new ATOM 0 HD21 LEU A 117 5.180 18.965 -4.960 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.356 18.513 -6.218 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.925 19.055 -4.621 1.00 0.53 H new ATOM 441 N LYS A 118 10.303 21.984 -6.813 1.00 0.59 N ATOM 442 CA LYS A 118 11.676 22.031 -7.392 1.00 0.69 C ATOM 443 C LYS A 118 12.719 21.930 -6.278 1.00 0.64 C ATOM 444 O LYS A 118 13.834 21.496 -6.492 1.00 0.73 O ATOM 445 CB LYS A 118 11.766 23.389 -8.088 1.00 0.83 C ATOM 446 CG LYS A 118 11.220 24.476 -7.159 1.00 0.99 C ATOM 447 CD LYS A 118 12.212 25.639 -7.094 1.00 1.35 C ATOM 448 CE LYS A 118 11.613 26.860 -7.795 1.00 1.51 C ATOM 449 NZ LYS A 118 12.537 27.983 -7.468 1.00 1.99 N ATOM 0 H LYS A 118 9.656 22.687 -7.170 1.00 0.59 H new ATOM 0 HA LYS A 118 11.864 21.207 -8.081 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.801 23.607 -8.351 1.00 0.83 H new ATOM 0 HB3 LYS A 118 11.198 23.371 -9.018 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.254 24.828 -7.522 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.056 24.068 -6.162 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.441 25.878 -6.055 1.00 1.35 H new ATOM 0 HD3 LYS A 118 13.151 25.357 -7.570 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.547 26.704 -8.872 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.603 27.063 -7.439 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.193 28.857 -7.914 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.575 28.112 -6.437 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 13.489 27.764 -7.825 1.00 1.99 H new ATOM 463 N ILE A 119 12.365 22.329 -5.087 1.00 0.68 N ATOM 464 CA ILE A 119 13.336 22.257 -3.957 1.00 0.74 C ATOM 465 C ILE A 119 13.202 20.914 -3.236 1.00 0.75 C ATOM 466 O ILE A 119 14.155 20.389 -2.695 1.00 0.85 O ATOM 467 CB ILE A 119 12.949 23.406 -3.027 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.227 24.741 -3.722 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.774 23.323 -1.741 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.229 25.791 -3.229 1.00 1.06 C ATOM 0 H ILE A 119 11.446 22.702 -4.847 1.00 0.68 H new ATOM 0 HA ILE A 119 14.370 22.338 -4.293 1.00 0.74 H new ATOM 0 HB ILE A 119 11.889 23.334 -2.785 1.00 0.98 H new ATOM 0 HG12 ILE A 119 14.246 25.066 -3.513 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.145 24.625 -4.803 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.498 24.143 -1.078 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.579 22.373 -1.244 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.834 23.394 -1.984 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.427 26.742 -3.724 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.215 25.466 -3.460 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.333 25.914 -2.151 1.00 1.06 H new ATOM 482 N MET A 120 12.023 20.354 -3.225 1.00 0.85 N ATOM 483 CA MET A 120 11.823 19.046 -2.540 1.00 1.01 C ATOM 484 C MET A 120 12.687 17.967 -3.199 1.00 0.95 C ATOM 485 O MET A 120 13.326 17.177 -2.533 1.00 1.11 O ATOM 486 CB MET A 120 10.336 18.733 -2.721 1.00 1.17 C ATOM 487 CG MET A 120 10.084 17.248 -2.452 1.00 1.52 C ATOM 488 SD MET A 120 8.305 16.955 -2.297 1.00 1.88 S ATOM 489 CE MET A 120 8.395 15.175 -1.987 1.00 1.43 C ATOM 0 H MET A 120 11.189 20.747 -3.661 1.00 0.85 H new ATOM 0 HA MET A 120 12.108 19.079 -1.488 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.741 19.342 -2.040 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.022 18.987 -3.733 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.493 16.646 -3.264 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.595 16.941 -1.539 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.975 14.636 -2.836 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.436 14.882 -1.850 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.828 14.933 -1.088 1.00 1.43 H new ATOM 499 N LEU A 121 12.711 17.930 -4.503 1.00 0.87 N ATOM 500 CA LEU A 121 13.534 16.904 -5.204 1.00 0.95 C ATOM 501 C LEU A 121 14.966 17.413 -5.392 1.00 0.87 C ATOM 502 O LEU A 121 15.878 16.652 -5.646 1.00 0.97 O ATOM 503 CB LEU A 121 12.852 16.708 -6.559 1.00 1.09 C ATOM 504 CG LEU A 121 11.388 16.320 -6.343 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.752 15.960 -7.686 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.315 15.114 -5.404 1.00 1.80 C ATOM 0 H LEU A 121 12.197 18.565 -5.113 1.00 0.87 H new ATOM 0 HA LEU A 121 13.600 15.972 -4.642 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.913 17.625 -7.145 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.365 15.932 -7.127 1.00 1.09 H new ATOM 0 HG LEU A 121 10.851 17.159 -5.901 1.00 1.41 H new ATOM 0 HD11 LEU A 121 9.709 15.684 -7.532 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.805 16.819 -8.355 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.288 15.121 -8.129 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.272 14.836 -5.249 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.852 14.275 -5.847 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.768 15.370 -4.447 1.00 1.80 H new ATOM 518 N GLN A 122 15.168 18.696 -5.267 1.00 0.82 N ATOM 519 CA GLN A 122 16.540 19.256 -5.438 1.00 0.95 C ATOM 520 C GLN A 122 17.562 18.390 -4.698 1.00 1.04 C ATOM 521 O GLN A 122 18.586 18.022 -5.238 1.00 1.19 O ATOM 522 CB GLN A 122 16.476 20.652 -4.819 1.00 1.14 C ATOM 523 CG GLN A 122 17.264 21.632 -5.689 1.00 1.42 C ATOM 524 CD GLN A 122 18.481 22.138 -4.913 1.00 1.85 C ATOM 525 OE1 GLN A 122 19.584 22.140 -5.423 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.326 22.569 -3.692 1.00 2.28 N ATOM 0 H GLN A 122 14.443 19.381 -5.054 1.00 0.82 H new ATOM 0 HA GLN A 122 16.846 19.285 -6.484 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.439 20.977 -4.735 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.887 20.633 -3.810 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.584 21.142 -6.609 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.629 22.470 -5.978 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.400 22.567 -3.264 1.00 2.28 H new ATOM 0 HE22 GLN A 122 19.131 22.908 -3.165 1.00 2.28 H new ATOM 535 N ALA A 123 17.294 18.062 -3.464 1.00 1.09 N ATOM 536 CA ALA A 123 18.251 17.220 -2.694 1.00 1.33 C ATOM 537 C ALA A 123 18.614 15.968 -3.497 1.00 1.38 C ATOM 538 O ALA A 123 19.629 15.342 -3.266 1.00 1.62 O ATOM 539 CB ALA A 123 17.504 16.841 -1.415 1.00 1.45 C ATOM 0 H ALA A 123 16.454 18.341 -2.956 1.00 1.09 H new ATOM 0 HA ALA A 123 19.184 17.742 -2.480 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.144 16.218 -0.791 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.235 17.745 -0.869 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.600 16.289 -1.672 1.00 1.45 H new ATOM 545 N THR A 124 17.791 15.600 -4.440 1.00 1.29 N ATOM 546 CA THR A 124 18.087 14.391 -5.259 1.00 1.47 C ATOM 547 C THR A 124 18.783 14.790 -6.563 1.00 1.44 C ATOM 548 O THR A 124 19.138 13.953 -7.368 1.00 1.72 O ATOM 549 CB THR A 124 16.723 13.767 -5.552 1.00 1.56 C ATOM 550 OG1 THR A 124 16.136 13.320 -4.338 1.00 2.16 O ATOM 551 CG2 THR A 124 16.896 12.583 -6.505 1.00 1.92 C ATOM 0 H THR A 124 16.926 16.085 -4.679 1.00 1.29 H new ATOM 0 HA THR A 124 18.752 13.698 -4.743 1.00 1.47 H new ATOM 0 HB THR A 124 16.075 14.511 -6.015 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.261 12.921 -4.525 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.923 12.139 -6.713 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.344 12.928 -7.437 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.544 11.837 -6.045 1.00 1.92 H new ATOM 559 N GLY A 125 18.976 16.063 -6.780 1.00 1.26 N ATOM 560 CA GLY A 125 19.644 16.511 -8.035 1.00 1.32 C ATOM 561 C GLY A 125 18.619 16.553 -9.169 1.00 1.26 C ATOM 562 O GLY A 125 18.924 16.263 -10.308 1.00 1.63 O ATOM 0 H GLY A 125 18.700 16.811 -6.143 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.086 17.497 -7.893 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.457 15.831 -8.290 1.00 1.32 H new ATOM 566 N GLU A 126 17.401 16.908 -8.863 1.00 1.02 N ATOM 567 CA GLU A 126 16.351 16.964 -9.920 1.00 1.08 C ATOM 568 C GLU A 126 16.704 18.022 -10.969 1.00 0.89 C ATOM 569 O GLU A 126 16.316 19.168 -10.863 1.00 0.87 O ATOM 570 CB GLU A 126 15.067 17.348 -9.181 1.00 1.34 C ATOM 571 CG GLU A 126 15.222 18.745 -8.574 1.00 1.45 C ATOM 572 CD GLU A 126 14.332 19.733 -9.329 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.900 19.398 -10.420 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.098 20.810 -8.805 1.00 2.16 O ATOM 0 H GLU A 126 17.087 17.162 -7.926 1.00 1.02 H new ATOM 0 HA GLU A 126 16.251 16.017 -10.451 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.221 17.331 -9.868 1.00 1.34 H new ATOM 0 HB3 GLU A 126 14.856 16.621 -8.397 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.949 18.727 -7.519 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.263 19.063 -8.628 1.00 1.45 H new ATOM 581 N THR A 127 17.431 17.646 -11.986 1.00 1.09 N ATOM 582 CA THR A 127 17.797 18.633 -13.041 1.00 1.21 C ATOM 583 C THR A 127 16.795 18.557 -14.195 1.00 1.29 C ATOM 584 O THR A 127 16.938 17.763 -15.104 1.00 1.60 O ATOM 585 CB THR A 127 19.191 18.210 -13.510 1.00 1.57 C ATOM 586 OG1 THR A 127 19.151 16.859 -13.947 1.00 1.91 O ATOM 587 CG2 THR A 127 20.183 18.347 -12.355 1.00 2.18 C ATOM 0 H THR A 127 17.786 16.701 -12.132 1.00 1.09 H new ATOM 0 HA THR A 127 17.786 19.660 -12.675 1.00 1.21 H new ATOM 0 HB THR A 127 19.508 18.849 -14.334 1.00 1.57 H new ATOM 0 HG1 THR A 127 18.332 16.706 -14.462 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.175 18.045 -12.690 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.212 19.384 -12.022 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.870 17.709 -11.529 1.00 2.18 H new ATOM 595 N ILE A 128 15.781 19.378 -14.166 1.00 1.08 N ATOM 596 CA ILE A 128 14.768 19.356 -15.260 1.00 1.20 C ATOM 597 C ILE A 128 14.398 20.785 -15.669 1.00 1.18 C ATOM 598 O ILE A 128 14.467 21.705 -14.878 1.00 1.15 O ATOM 599 CB ILE A 128 13.560 18.633 -14.663 1.00 1.12 C ATOM 600 CG1 ILE A 128 12.380 18.724 -15.633 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.177 19.286 -13.335 1.00 1.62 C ATOM 602 CD1 ILE A 128 11.942 17.315 -16.038 1.00 2.03 C ATOM 0 H ILE A 128 15.610 20.064 -13.431 1.00 1.08 H new ATOM 0 HA ILE A 128 15.137 18.859 -16.157 1.00 1.20 H new ATOM 0 HB ILE A 128 13.813 17.586 -14.493 1.00 1.12 H new ATOM 0 HG12 ILE A 128 11.550 19.254 -15.164 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.665 19.296 -16.516 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.316 18.770 -12.911 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.016 19.222 -12.642 1.00 1.62 H new ATOM 0 HG23 ILE A 128 12.925 20.333 -13.504 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.101 17.380 -16.729 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.772 16.801 -16.523 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.640 16.759 -15.151 1.00 2.03 H new ATOM 614 N THR A 129 14.002 20.978 -16.898 1.00 1.34 N ATOM 615 CA THR A 129 13.625 22.347 -17.354 1.00 1.42 C ATOM 616 C THR A 129 12.502 22.905 -16.476 1.00 1.16 C ATOM 617 O THR A 129 11.700 22.169 -15.935 1.00 0.97 O ATOM 618 CB THR A 129 13.142 22.173 -18.797 1.00 1.64 C ATOM 619 OG1 THR A 129 13.103 20.790 -19.125 1.00 2.23 O ATOM 620 CG2 THR A 129 14.098 22.896 -19.746 1.00 2.28 C ATOM 0 H THR A 129 13.923 20.248 -17.606 1.00 1.34 H new ATOM 0 HA THR A 129 14.459 23.046 -17.288 1.00 1.42 H new ATOM 0 HB THR A 129 12.142 22.596 -18.896 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.792 20.681 -20.048 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.754 22.772 -20.773 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.124 23.957 -19.498 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.098 22.475 -19.645 1.00 2.28 H new ATOM 628 N GLU A 130 12.437 24.201 -16.328 1.00 1.31 N ATOM 629 CA GLU A 130 11.365 24.802 -15.484 1.00 1.28 C ATOM 630 C GLU A 130 9.987 24.460 -16.056 1.00 1.16 C ATOM 631 O GLU A 130 9.063 24.148 -15.332 1.00 1.21 O ATOM 632 CB GLU A 130 11.610 26.311 -15.545 1.00 1.69 C ATOM 633 CG GLU A 130 10.403 27.047 -14.960 1.00 2.05 C ATOM 634 CD GLU A 130 10.633 28.557 -15.044 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.943 29.030 -16.125 1.00 3.03 O ATOM 636 OE2 GLU A 130 10.494 29.214 -14.026 1.00 2.70 O ATOM 0 H GLU A 130 13.079 24.869 -16.755 1.00 1.31 H new ATOM 0 HA GLU A 130 11.387 24.426 -14.461 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.511 26.567 -14.987 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.774 26.622 -16.577 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.499 26.776 -15.506 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.250 26.749 -13.923 1.00 2.05 H new ATOM 643 N ASP A 131 9.842 24.518 -17.352 1.00 1.18 N ATOM 644 CA ASP A 131 8.524 24.199 -17.971 1.00 1.19 C ATOM 645 C ASP A 131 8.136 22.748 -17.674 1.00 1.07 C ATOM 646 O ASP A 131 7.015 22.335 -17.899 1.00 1.14 O ATOM 647 CB ASP A 131 8.733 24.402 -19.471 1.00 1.44 C ATOM 648 CG ASP A 131 7.374 24.484 -20.169 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.493 23.727 -19.796 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.239 25.301 -21.064 1.00 1.91 O ATOM 0 H ASP A 131 10.580 24.773 -18.009 1.00 1.18 H new ATOM 0 HA ASP A 131 7.722 24.827 -17.582 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.301 25.315 -19.650 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.316 23.578 -19.883 1.00 1.44 H new ATOM 655 N ASP A 132 9.055 21.970 -17.172 1.00 1.00 N ATOM 656 CA ASP A 132 8.740 20.547 -16.861 1.00 1.03 C ATOM 657 C ASP A 132 8.328 20.403 -15.393 1.00 0.88 C ATOM 658 O ASP A 132 7.585 19.512 -15.030 1.00 1.03 O ATOM 659 CB ASP A 132 10.041 19.788 -17.128 1.00 1.13 C ATOM 660 CG ASP A 132 10.374 19.850 -18.620 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.902 20.764 -19.275 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.097 18.982 -19.081 1.00 1.99 O ATOM 0 H ASP A 132 10.011 22.258 -16.964 1.00 1.00 H new ATOM 0 HA ASP A 132 7.913 20.167 -17.461 1.00 1.03 H new ATOM 0 HB2 ASP A 132 10.853 20.222 -16.545 1.00 1.13 H new ATOM 0 HB3 ASP A 132 9.940 18.750 -16.810 1.00 1.13 H new ATOM 667 N ILE A 133 8.808 21.272 -14.545 1.00 0.75 N ATOM 668 CA ILE A 133 8.448 21.185 -13.100 1.00 0.77 C ATOM 669 C ILE A 133 6.926 21.189 -12.929 1.00 0.70 C ATOM 670 O ILE A 133 6.407 20.796 -11.903 1.00 0.82 O ATOM 671 CB ILE A 133 9.062 22.432 -12.464 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.589 22.323 -12.496 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.588 22.553 -11.014 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.047 21.248 -11.509 1.00 1.00 C ATOM 0 H ILE A 133 9.434 22.039 -14.790 1.00 0.75 H new ATOM 0 HA ILE A 133 8.815 20.268 -12.639 1.00 0.77 H new ATOM 0 HB ILE A 133 8.750 23.315 -13.022 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.925 22.074 -13.503 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.038 23.282 -12.239 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.026 23.442 -10.561 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.501 22.632 -10.992 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.899 21.670 -10.455 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.134 21.172 -11.533 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.724 21.516 -10.503 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.610 20.289 -11.787 1.00 1.00 H new ATOM 686 N GLU A 134 6.209 21.631 -13.924 1.00 0.61 N ATOM 687 CA GLU A 134 4.722 21.660 -13.815 1.00 0.64 C ATOM 688 C GLU A 134 4.134 20.312 -14.239 1.00 0.64 C ATOM 689 O GLU A 134 3.039 19.953 -13.855 1.00 0.76 O ATOM 690 CB GLU A 134 4.277 22.766 -14.772 1.00 0.73 C ATOM 691 CG GLU A 134 4.291 24.109 -14.042 1.00 0.89 C ATOM 692 CD GLU A 134 3.809 25.212 -14.986 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.722 25.073 -15.523 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.535 26.178 -15.156 1.00 1.87 O ATOM 0 H GLU A 134 6.587 21.973 -14.807 1.00 0.61 H new ATOM 0 HA GLU A 134 4.386 21.845 -12.795 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.941 22.803 -15.636 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.276 22.555 -15.148 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.649 24.063 -13.163 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.298 24.332 -13.690 1.00 0.89 H new ATOM 701 N GLU A 135 4.855 19.562 -15.027 1.00 0.59 N ATOM 702 CA GLU A 135 4.339 18.237 -15.476 1.00 0.67 C ATOM 703 C GLU A 135 4.182 17.297 -14.278 1.00 0.74 C ATOM 704 O GLU A 135 3.401 16.367 -14.305 1.00 0.91 O ATOM 705 CB GLU A 135 5.402 17.706 -16.439 1.00 0.72 C ATOM 706 CG GLU A 135 4.963 17.971 -17.880 1.00 1.16 C ATOM 707 CD GLU A 135 5.445 16.831 -18.778 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.624 16.523 -18.729 1.00 2.03 O ATOM 709 OE2 GLU A 135 4.626 16.285 -19.500 1.00 2.29 O ATOM 0 H GLU A 135 5.780 19.809 -15.380 1.00 0.59 H new ATOM 0 HA GLU A 135 3.360 18.313 -15.950 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.359 18.190 -16.244 1.00 0.72 H new ATOM 0 HB3 GLU A 135 5.548 16.637 -16.283 1.00 0.72 H new ATOM 0 HG2 GLU A 135 3.877 18.054 -17.931 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.372 18.920 -18.227 1.00 1.16 H new ATOM 716 N LEU A 136 4.919 17.531 -13.226 1.00 0.73 N ATOM 717 CA LEU A 136 4.809 16.649 -12.029 1.00 0.87 C ATOM 718 C LEU A 136 3.621 17.076 -11.165 1.00 0.81 C ATOM 719 O LEU A 136 3.054 16.287 -10.435 1.00 1.00 O ATOM 720 CB LEU A 136 6.120 16.847 -11.268 1.00 0.99 C ATOM 721 CG LEU A 136 7.273 16.237 -12.066 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.216 17.348 -12.529 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.039 15.253 -11.180 1.00 1.75 C ATOM 0 H LEU A 136 5.591 18.294 -13.144 1.00 0.73 H new ATOM 0 HA LEU A 136 4.648 15.606 -12.300 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.300 17.909 -11.104 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.056 16.379 -10.286 1.00 0.99 H new ATOM 0 HG LEU A 136 6.877 15.712 -12.935 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.038 16.914 -13.098 1.00 1.74 H new ATOM 0 HD12 LEU A 136 7.670 18.050 -13.159 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.613 17.873 -11.661 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.861 14.817 -11.747 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.436 15.778 -10.311 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.366 14.461 -10.849 1.00 1.75 H new ATOM 735 N MET A 137 3.240 18.321 -11.243 1.00 0.67 N ATOM 736 CA MET A 137 2.089 18.802 -10.428 1.00 0.71 C ATOM 737 C MET A 137 0.802 18.100 -10.869 1.00 0.68 C ATOM 738 O MET A 137 -0.100 17.883 -10.084 1.00 0.70 O ATOM 739 CB MET A 137 2.011 20.303 -10.711 1.00 0.82 C ATOM 740 CG MET A 137 0.648 20.838 -10.268 1.00 0.99 C ATOM 741 SD MET A 137 0.875 22.396 -9.375 1.00 0.94 S ATOM 742 CE MET A 137 1.300 21.675 -7.770 1.00 0.53 C ATOM 0 H MET A 137 3.676 19.027 -11.836 1.00 0.67 H new ATOM 0 HA MET A 137 2.213 18.594 -9.365 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.808 20.825 -10.181 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.159 20.491 -11.774 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.007 20.993 -11.135 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.149 20.109 -9.629 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.943 22.327 -6.972 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.831 20.696 -7.675 1.00 0.53 H new ATOM 0 HE3 MET A 137 2.382 21.568 -7.694 1.00 0.53 H new ATOM 752 N LYS A 138 0.712 17.743 -12.121 1.00 0.76 N ATOM 753 CA LYS A 138 -0.514 17.054 -12.615 1.00 0.82 C ATOM 754 C LYS A 138 -0.901 15.914 -11.667 1.00 0.72 C ATOM 755 O LYS A 138 -2.008 15.856 -11.170 1.00 0.84 O ATOM 756 CB LYS A 138 -0.129 16.503 -13.989 1.00 0.99 C ATOM 757 CG LYS A 138 -0.324 17.590 -15.048 1.00 1.57 C ATOM 758 CD LYS A 138 0.437 17.208 -16.319 1.00 2.09 C ATOM 759 CE LYS A 138 -0.090 18.031 -17.498 1.00 2.74 C ATOM 760 NZ LYS A 138 0.147 17.179 -18.697 1.00 3.43 N ATOM 0 H LYS A 138 1.435 17.899 -12.824 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.372 17.724 -12.669 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.909 16.170 -13.981 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.741 15.633 -14.228 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.384 17.711 -15.269 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.034 18.548 -14.671 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.504 17.388 -16.185 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.316 16.144 -16.522 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -1.149 18.259 -17.379 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.434 18.983 -17.580 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.188 17.675 -19.547 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.164 16.984 -18.789 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.369 16.282 -18.593 1.00 3.43 H new ATOM 774 N ASP A 139 0.003 15.008 -11.414 1.00 0.75 N ATOM 775 CA ASP A 139 -0.312 13.872 -10.499 1.00 0.78 C ATOM 776 C ASP A 139 -0.368 14.358 -9.047 1.00 0.70 C ATOM 777 O ASP A 139 -1.329 14.125 -8.341 1.00 0.81 O ATOM 778 CB ASP A 139 0.839 12.883 -10.690 1.00 0.97 C ATOM 779 CG ASP A 139 0.320 11.623 -11.385 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.125 11.735 -12.515 1.00 1.69 O ATOM 781 OD2 ASP A 139 0.376 10.568 -10.775 1.00 1.66 O ATOM 0 H ASP A 139 0.947 15.004 -11.801 1.00 0.75 H new ATOM 0 HA ASP A 139 -1.280 13.421 -10.718 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.630 13.340 -11.285 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.275 12.625 -9.725 1.00 0.97 H new ATOM 786 N GLY A 140 0.657 15.028 -8.596 1.00 0.64 N ATOM 787 CA GLY A 140 0.665 15.525 -7.190 1.00 0.62 C ATOM 788 C GLY A 140 -0.560 16.409 -6.947 1.00 0.57 C ATOM 789 O GLY A 140 -0.927 16.678 -5.820 1.00 0.65 O ATOM 0 H GLY A 140 1.490 15.253 -9.140 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.661 14.684 -6.497 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.577 16.091 -7.000 1.00 0.62 H new ATOM 793 N ASP A 141 -1.195 16.866 -7.991 1.00 0.56 N ATOM 794 CA ASP A 141 -2.393 17.735 -7.809 1.00 0.56 C ATOM 795 C ASP A 141 -3.390 17.519 -8.951 1.00 0.58 C ATOM 796 O ASP A 141 -3.826 18.456 -9.590 1.00 0.64 O ATOM 797 CB ASP A 141 -1.853 19.165 -7.834 1.00 0.60 C ATOM 798 CG ASP A 141 -2.759 20.068 -6.995 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.091 19.678 -5.888 1.00 1.14 O ATOM 800 OD2 ASP A 141 -3.104 21.136 -7.475 1.00 1.23 O ATOM 0 H ASP A 141 -0.938 16.676 -8.960 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.923 17.513 -6.883 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.836 19.188 -7.442 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.808 19.530 -8.860 1.00 0.60 H new ATOM 805 N LYS A 142 -3.760 16.294 -9.211 1.00 0.62 N ATOM 806 CA LYS A 142 -4.734 16.032 -10.310 1.00 0.70 C ATOM 807 C LYS A 142 -5.955 16.941 -10.149 1.00 0.79 C ATOM 808 O LYS A 142 -6.655 17.232 -11.098 1.00 0.92 O ATOM 809 CB LYS A 142 -5.129 14.564 -10.153 1.00 0.79 C ATOM 810 CG LYS A 142 -4.418 13.727 -11.218 1.00 0.88 C ATOM 811 CD LYS A 142 -5.434 13.252 -12.258 1.00 1.37 C ATOM 812 CE LYS A 142 -5.206 14.001 -13.573 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.574 13.029 -14.639 1.00 2.44 N ATOM 0 H LYS A 142 -3.432 15.467 -8.713 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.313 16.231 -11.296 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.861 14.209 -9.158 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.209 14.455 -10.251 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.639 14.318 -11.699 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.928 12.870 -10.755 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.333 12.178 -12.416 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.448 13.427 -11.898 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.822 14.899 -13.628 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.168 14.320 -13.671 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.444 13.471 -15.572 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.967 12.188 -14.566 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.569 12.749 -14.525 1.00 2.44 H new ATOM 827 N ASN A 143 -6.211 17.393 -8.952 1.00 0.80 N ATOM 828 CA ASN A 143 -7.382 18.287 -8.727 1.00 0.95 C ATOM 829 C ASN A 143 -7.104 19.674 -9.313 1.00 0.92 C ATOM 830 O ASN A 143 -8.001 20.472 -9.500 1.00 1.08 O ATOM 831 CB ASN A 143 -7.534 18.365 -7.207 1.00 1.07 C ATOM 832 CG ASN A 143 -8.491 19.503 -6.847 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.534 19.648 -7.453 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.178 20.321 -5.880 1.00 1.70 N ATOM 0 H ASN A 143 -5.660 17.182 -8.120 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.287 17.915 -9.207 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.914 17.420 -6.820 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.562 18.532 -6.742 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.809 21.083 -5.632 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.302 20.198 -5.372 1.00 1.70 H new ATOM 841 N ASN A 144 -5.866 19.966 -9.606 1.00 0.86 N ATOM 842 CA ASN A 144 -5.528 21.299 -10.182 1.00 0.93 C ATOM 843 C ASN A 144 -6.199 22.413 -9.373 1.00 1.03 C ATOM 844 O ASN A 144 -7.177 22.997 -9.796 1.00 1.71 O ATOM 845 CB ASN A 144 -6.080 21.264 -11.608 1.00 1.08 C ATOM 846 CG ASN A 144 -5.717 22.563 -12.329 1.00 1.49 C ATOM 847 OD1 ASN A 144 -6.357 23.577 -12.138 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.708 22.575 -13.157 1.00 1.97 N ATOM 0 H ASN A 144 -5.073 19.338 -9.471 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.456 21.497 -10.163 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.670 20.410 -12.147 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -7.162 21.138 -11.587 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.457 23.436 -13.643 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.170 21.723 -13.318 1.00 1.97 H new ATOM 855 N ASP A 145 -5.680 22.714 -8.214 1.00 0.88 N ATOM 856 CA ASP A 145 -6.288 23.793 -7.382 1.00 0.92 C ATOM 857 C ASP A 145 -5.243 24.864 -7.055 1.00 0.91 C ATOM 858 O ASP A 145 -5.572 25.971 -6.678 1.00 1.07 O ATOM 859 CB ASP A 145 -6.757 23.094 -6.105 1.00 0.93 C ATOM 860 CG ASP A 145 -5.571 22.389 -5.445 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.210 21.321 -5.909 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.045 22.931 -4.487 1.00 1.89 O ATOM 0 H ASP A 145 -4.862 22.260 -7.807 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.107 24.296 -7.895 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.190 23.821 -5.418 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.539 22.372 -6.339 1.00 0.93 H new ATOM 867 N GLY A 146 -3.985 24.543 -7.196 1.00 0.84 N ATOM 868 CA GLY A 146 -2.923 25.544 -6.893 1.00 0.92 C ATOM 869 C GLY A 146 -2.151 25.113 -5.643 1.00 0.66 C ATOM 870 O GLY A 146 -1.265 25.803 -5.181 1.00 0.74 O ATOM 0 H GLY A 146 -3.648 23.632 -7.507 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.242 25.634 -7.740 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.369 26.526 -6.736 1.00 0.92 H new ATOM 874 N ARG A 147 -2.480 23.976 -5.092 1.00 0.56 N ATOM 875 CA ARG A 147 -1.763 23.505 -3.872 1.00 0.54 C ATOM 876 C ARG A 147 -1.739 21.974 -3.829 1.00 0.46 C ATOM 877 O ARG A 147 -2.671 21.317 -4.246 1.00 0.45 O ATOM 878 CB ARG A 147 -2.570 24.061 -2.700 1.00 0.77 C ATOM 879 CG ARG A 147 -2.122 25.493 -2.405 1.00 1.39 C ATOM 880 CD ARG A 147 -2.931 26.048 -1.232 1.00 1.79 C ATOM 881 NE ARG A 147 -4.257 26.400 -1.813 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.108 27.109 -1.121 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.801 27.515 0.081 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.270 27.412 -1.634 1.00 3.37 N ATOM 0 H ARG A 147 -3.213 23.354 -5.433 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.726 23.839 -3.848 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.634 24.043 -2.936 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.429 23.436 -1.818 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.058 25.511 -2.168 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.263 26.119 -3.286 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.032 25.309 -0.437 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -2.446 26.922 -0.796 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.501 26.087 -2.753 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.894 27.279 0.483 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.468 28.069 0.618 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -6.511 27.095 -2.573 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -6.936 27.966 -1.096 1.00 3.37 H new ATOM 898 N ILE A 148 -0.678 21.403 -3.328 1.00 0.49 N ATOM 899 CA ILE A 148 -0.592 19.917 -3.258 1.00 0.44 C ATOM 900 C ILE A 148 -0.843 19.438 -1.825 1.00 0.46 C ATOM 901 O ILE A 148 -0.154 19.823 -0.902 1.00 0.63 O ATOM 902 CB ILE A 148 0.834 19.581 -3.696 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.053 20.063 -5.133 1.00 0.56 C ATOM 904 CG2 ILE A 148 1.047 18.068 -3.630 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.474 19.710 -5.578 1.00 0.63 C ATOM 0 H ILE A 148 0.134 21.902 -2.964 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.336 19.430 -3.888 1.00 0.44 H new ATOM 0 HB ILE A 148 1.543 20.077 -3.033 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.326 19.598 -5.799 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.898 21.140 -5.194 1.00 0.56 H new ATOM 0 HG21 ILE A 148 2.064 17.830 -3.942 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.891 17.723 -2.608 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.338 17.572 -4.293 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.631 20.053 -6.601 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.193 20.196 -4.918 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.612 18.630 -5.532 1.00 0.63 H new ATOM 917 N ASP A 149 -1.826 18.601 -1.635 1.00 0.48 N ATOM 918 CA ASP A 149 -2.124 18.095 -0.265 1.00 0.53 C ATOM 919 C ASP A 149 -1.403 16.765 -0.026 1.00 0.53 C ATOM 920 O ASP A 149 -0.668 16.288 -0.868 1.00 0.63 O ATOM 921 CB ASP A 149 -3.640 17.895 -0.241 1.00 0.58 C ATOM 922 CG ASP A 149 -4.186 18.287 1.132 1.00 1.05 C ATOM 923 OD1 ASP A 149 -3.473 18.107 2.106 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.309 18.761 1.187 1.00 1.65 O ATOM 0 H ASP A 149 -2.437 18.245 -2.371 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.790 18.782 0.513 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.109 18.500 -1.017 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -3.883 16.855 -0.457 1.00 0.58 H new ATOM 929 N TYR A 150 -1.607 16.161 1.113 1.00 0.58 N ATOM 930 CA TYR A 150 -0.932 14.862 1.398 1.00 0.60 C ATOM 931 C TYR A 150 -1.696 13.715 0.732 1.00 0.59 C ATOM 932 O TYR A 150 -1.118 12.865 0.084 1.00 0.63 O ATOM 933 CB TYR A 150 -0.968 14.718 2.919 1.00 0.73 C ATOM 934 CG TYR A 150 -0.520 13.327 3.302 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.623 12.773 2.712 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.248 12.591 4.245 1.00 1.22 C ATOM 937 CE1 TYR A 150 1.038 11.484 3.066 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.832 11.302 4.599 1.00 1.56 C ATOM 939 CZ TYR A 150 0.311 10.748 4.009 1.00 1.48 C ATOM 940 OH TYR A 150 0.721 9.477 4.357 1.00 1.96 O ATOM 0 H TYR A 150 -2.211 16.510 1.858 1.00 0.58 H new ATOM 0 HA TYR A 150 0.087 14.833 1.012 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.318 15.461 3.381 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -1.977 14.902 3.289 1.00 0.73 H new ATOM 0 HD1 TYR A 150 1.184 13.340 1.984 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.130 13.018 4.699 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.920 11.057 2.611 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.393 10.735 5.327 1.00 1.56 H new ATOM 0 HH TYR A 150 0.367 9.250 5.242 1.00 1.96 H new ATOM 950 N ASP A 151 -2.991 13.684 0.888 1.00 0.64 N ATOM 951 CA ASP A 151 -3.791 12.591 0.263 1.00 0.70 C ATOM 952 C ASP A 151 -3.439 12.462 -1.221 1.00 0.63 C ATOM 953 O ASP A 151 -3.542 11.401 -1.803 1.00 0.77 O ATOM 954 CB ASP A 151 -5.249 13.019 0.433 1.00 0.79 C ATOM 955 CG ASP A 151 -6.144 12.134 -0.435 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.690 11.072 -0.830 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.269 12.532 -0.692 1.00 1.83 O ATOM 0 H ASP A 151 -3.530 14.367 1.420 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.595 11.622 0.722 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.544 12.937 1.479 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.368 14.065 0.149 1.00 0.79 H new ATOM 962 N GLU A 152 -3.021 13.535 -1.836 1.00 0.54 N ATOM 963 CA GLU A 152 -2.661 13.473 -3.281 1.00 0.56 C ATOM 964 C GLU A 152 -1.199 13.048 -3.442 1.00 0.52 C ATOM 965 O GLU A 152 -0.854 12.302 -4.337 1.00 0.65 O ATOM 966 CB GLU A 152 -2.867 14.896 -3.804 1.00 0.60 C ATOM 967 CG GLU A 152 -4.336 15.293 -3.640 1.00 0.77 C ATOM 968 CD GLU A 152 -4.505 16.777 -3.972 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.511 17.485 -3.954 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.625 17.181 -4.239 1.00 1.17 O ATOM 0 H GLU A 152 -2.913 14.451 -1.400 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.265 12.748 -3.827 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.228 15.591 -3.259 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.579 14.954 -4.854 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.962 14.689 -4.297 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.664 15.098 -2.619 1.00 0.77 H new ATOM 977 N PHE A 153 -0.337 13.513 -2.579 1.00 0.46 N ATOM 978 CA PHE A 153 1.100 13.132 -2.683 1.00 0.46 C ATOM 979 C PHE A 153 1.229 11.618 -2.882 1.00 0.50 C ATOM 980 O PHE A 153 2.152 11.141 -3.511 1.00 0.64 O ATOM 981 CB PHE A 153 1.715 13.555 -1.349 1.00 0.49 C ATOM 982 CG PHE A 153 3.211 13.355 -1.395 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.989 14.100 -2.289 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.819 12.426 -0.543 1.00 0.52 C ATOM 985 CE1 PHE A 153 5.377 13.916 -2.331 1.00 0.73 C ATOM 986 CE2 PHE A 153 5.206 12.241 -0.585 1.00 0.61 C ATOM 987 CZ PHE A 153 5.985 12.986 -1.479 1.00 0.68 C ATOM 0 H PHE A 153 -0.566 14.140 -1.807 1.00 0.46 H new ATOM 0 HA PHE A 153 1.597 13.606 -3.529 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.484 14.601 -1.146 1.00 0.49 H new ATOM 0 HB3 PHE A 153 1.284 12.970 -0.537 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.519 14.817 -2.946 1.00 0.62 H new ATOM 0 HD2 PHE A 153 3.218 11.852 0.147 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.978 14.491 -3.020 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.675 11.524 0.072 1.00 0.61 H new ATOM 0 HZ PHE A 153 7.055 12.843 -1.511 1.00 0.68 H new ATOM 997 N LEU A 154 0.308 10.862 -2.351 1.00 0.53 N ATOM 998 CA LEU A 154 0.371 9.380 -2.509 1.00 0.62 C ATOM 999 C LEU A 154 0.085 8.989 -3.962 1.00 0.65 C ATOM 1000 O LEU A 154 0.599 8.010 -4.464 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.721 8.840 -1.584 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.093 8.346 -0.280 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.866 7.193 -0.579 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.679 9.492 0.380 1.00 1.20 C ATOM 0 H LEU A 154 -0.487 11.207 -1.813 1.00 0.53 H new ATOM 0 HA LEU A 154 1.354 8.979 -2.261 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.452 9.621 -1.374 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.256 8.026 -2.073 1.00 0.75 H new ATOM 0 HG LEU A 154 -0.878 8.000 0.392 1.00 0.91 H new ATOM 0 HD11 LEU A 154 1.313 6.841 0.351 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.318 6.377 -1.050 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.651 7.538 -1.252 1.00 1.65 H new ATOM 0 HD21 LEU A 154 1.127 9.141 1.310 1.00 1.20 H new ATOM 0 HD22 LEU A 154 1.464 9.837 -0.293 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.003 10.315 0.594 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.734 9.747 -4.638 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.060 9.424 -6.058 1.00 0.81 C ATOM 1018 C GLU A 155 0.056 9.914 -6.985 1.00 0.76 C ATOM 1019 O GLU A 155 0.054 9.646 -8.171 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.359 10.180 -6.344 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.325 9.271 -7.106 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.040 10.081 -8.189 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.903 10.868 -7.839 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.711 9.900 -9.350 1.00 2.57 O ATOM 0 H GLU A 155 -1.193 10.579 -4.268 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.162 8.352 -6.224 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.814 10.509 -5.409 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.149 11.076 -6.929 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.781 8.441 -7.557 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.053 8.839 -6.419 1.00 1.41 H new ATOM 1031 N PHE A 156 1.002 10.639 -6.457 1.00 0.66 N ATOM 1032 CA PHE A 156 2.110 11.158 -7.310 1.00 0.77 C ATOM 1033 C PHE A 156 3.234 10.123 -7.440 1.00 0.71 C ATOM 1034 O PHE A 156 3.759 9.899 -8.512 1.00 0.88 O ATOM 1035 CB PHE A 156 2.612 12.403 -6.579 1.00 0.84 C ATOM 1036 CG PHE A 156 3.871 12.905 -7.242 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.832 13.358 -8.567 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.078 12.920 -6.533 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.999 13.826 -9.181 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.246 13.387 -7.148 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.206 13.840 -8.472 1.00 1.53 C ATOM 0 H PHE A 156 1.057 10.895 -5.471 1.00 0.66 H new ATOM 0 HA PHE A 156 1.775 11.377 -8.324 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.847 13.179 -6.594 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.808 12.169 -5.533 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.901 13.346 -9.115 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.108 12.571 -5.511 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.969 14.176 -10.202 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.177 13.398 -6.601 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.107 14.200 -8.947 1.00 1.53 H new ATOM 1051 N MET A 157 3.619 9.501 -6.358 1.00 0.61 N ATOM 1052 CA MET A 157 4.722 8.496 -6.431 1.00 0.69 C ATOM 1053 C MET A 157 4.161 7.072 -6.507 1.00 0.83 C ATOM 1054 O MET A 157 4.896 6.115 -6.644 1.00 1.17 O ATOM 1055 CB MET A 157 5.515 8.690 -5.139 1.00 0.84 C ATOM 1056 CG MET A 157 4.644 8.303 -3.943 1.00 0.92 C ATOM 1057 SD MET A 157 5.627 8.392 -2.427 1.00 1.56 S ATOM 1058 CE MET A 157 6.327 10.037 -2.709 1.00 0.90 C ATOM 0 H MET A 157 3.220 9.643 -5.430 1.00 0.61 H new ATOM 0 HA MET A 157 5.338 8.632 -7.320 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.417 8.079 -5.158 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.835 9.728 -5.049 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.786 8.972 -3.873 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.252 7.295 -4.076 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.741 10.421 -1.777 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.117 9.973 -3.458 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.545 10.709 -3.063 1.00 0.90 H new ATOM 1068 N LYS A 158 2.869 6.922 -6.417 1.00 0.86 N ATOM 1069 CA LYS A 158 2.273 5.556 -6.482 1.00 1.07 C ATOM 1070 C LYS A 158 2.764 4.816 -7.730 1.00 1.36 C ATOM 1071 O LYS A 158 2.689 3.606 -7.815 1.00 1.73 O ATOM 1072 CB LYS A 158 0.765 5.787 -6.562 1.00 1.28 C ATOM 1073 CG LYS A 158 0.445 6.619 -7.805 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.874 6.144 -8.414 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.594 5.383 -9.711 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.186 6.430 -10.690 1.00 3.52 N ATOM 0 H LYS A 158 2.200 7.683 -6.301 1.00 0.86 H new ATOM 0 HA LYS A 158 2.552 4.947 -5.622 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.241 4.832 -6.605 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.417 6.302 -5.667 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.376 7.674 -7.541 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.249 6.525 -8.535 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.401 5.501 -7.709 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.523 6.997 -8.613 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.194 4.643 -9.573 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.479 4.846 -10.053 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.563 6.192 -11.630 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.562 7.352 -10.389 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.852 6.477 -10.735 1.00 3.52 H new