USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 542 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 25 SER OG : rot 170:sc= 0.115 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.725) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 18 CYS SG : rot 110:sc= -0.44 USER MOD Single : A 13 MET CE :methyl 160:sc= -0.314 (180deg=-1.89) USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.9 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 20 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 1.19 (180deg=0.52) USER MOD Single : A 24 SER OG : rot -75:sc= 1.23 USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.793 USER MOD Single : A 29 HIS : no HE2:sc= -0.243 K(o=-0.24,f=-4.3!) USER MOD Single : A 34 TYR OH : rot -28:sc= 1.27 USER MOD Single : A 35 CYS SG : rot 170:sc= -0.188 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -30:sc= 0.928 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.11) USER MOD Single : A 45 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.368 (180deg=-1.34!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 60 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 64 SER OG : rot -34:sc= 0.387 USER MOD Single : A 70 SER OG : rot -24:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -8.741 -1.622 -6.052 1.00 1.02 N ATOM 47 CA VAL A 5 -8.015 -0.413 -6.423 1.00 1.00 C ATOM 48 C VAL A 5 -8.222 0.633 -5.323 1.00 1.08 C ATOM 49 O VAL A 5 -8.797 1.708 -5.529 1.00 1.86 O ATOM 50 CB VAL A 5 -8.403 0.039 -7.845 1.00 1.23 C ATOM 51 CG1 VAL A 5 -9.915 0.211 -8.055 1.00 2.47 C ATOM 52 CG2 VAL A 5 -7.653 1.313 -8.253 1.00 2.34 C ATOM 0 HA VAL A 5 -6.941 -0.591 -6.484 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.097 -0.778 -8.498 1.00 1.23 H new ATOM 0 HG11 VAL A 5 -10.106 0.530 -9.080 1.00 2.47 H new ATOM 0 HG12 VAL A 5 -10.418 -0.738 -7.871 1.00 2.47 H new ATOM 0 HG13 VAL A 5 -10.295 0.963 -7.364 1.00 2.47 H new ATOM 0 HG21 VAL A 5 -7.950 1.603 -9.261 1.00 2.34 H new ATOM 0 HG22 VAL A 5 -7.895 2.116 -7.557 1.00 2.34 H new ATOM 0 HG23 VAL A 5 -6.579 1.126 -8.231 1.00 2.34 H new ATOM 62 N LEU A 6 -7.761 0.293 -4.117 1.00 0.68 N ATOM 63 CA LEU A 6 -7.805 1.190 -2.977 1.00 0.68 C ATOM 64 C LEU A 6 -6.480 1.946 -2.879 1.00 0.64 C ATOM 65 O LEU A 6 -5.409 1.392 -3.131 1.00 0.66 O ATOM 66 CB LEU A 6 -8.182 0.439 -1.695 1.00 0.88 C ATOM 67 CG LEU A 6 -9.651 -0.033 -1.741 1.00 2.10 C ATOM 68 CD1 LEU A 6 -9.762 -1.503 -2.161 1.00 3.10 C ATOM 69 CD2 LEU A 6 -10.332 0.178 -0.384 1.00 2.63 C ATOM 0 H LEU A 6 -7.347 -0.616 -3.911 1.00 0.68 H new ATOM 0 HA LEU A 6 -8.592 1.931 -3.116 1.00 0.68 H new ATOM 0 HB2 LEU A 6 -7.524 -0.421 -1.566 1.00 0.88 H new ATOM 0 HB3 LEU A 6 -8.032 1.088 -0.832 1.00 0.88 H new ATOM 0 HG LEU A 6 -10.160 0.571 -2.492 1.00 2.10 H new ATOM 0 HD11 LEU A 6 -10.811 -1.797 -2.181 1.00 3.10 H new ATOM 0 HD12 LEU A 6 -9.330 -1.632 -3.153 1.00 3.10 H new ATOM 0 HD13 LEU A 6 -9.224 -2.127 -1.447 1.00 3.10 H new ATOM 0 HD21 LEU A 6 -11.366 -0.161 -0.439 1.00 2.63 H new ATOM 0 HD22 LEU A 6 -9.804 -0.391 0.381 1.00 2.63 H new ATOM 0 HD23 LEU A 6 -10.311 1.237 -0.127 1.00 2.63 H new ATOM 81 N GLU A 7 -6.604 3.238 -2.563 1.00 0.71 N ATOM 82 CA GLU A 7 -5.557 4.238 -2.590 1.00 0.69 C ATOM 83 C GLU A 7 -5.433 4.809 -1.184 1.00 0.67 C ATOM 84 O GLU A 7 -6.303 5.565 -0.744 1.00 0.99 O ATOM 85 CB GLU A 7 -5.944 5.348 -3.569 1.00 0.91 C ATOM 86 CG GLU A 7 -5.923 4.896 -5.030 1.00 0.88 C ATOM 87 CD GLU A 7 -6.489 5.995 -5.912 1.00 1.73 C ATOM 88 OE1 GLU A 7 -5.824 7.048 -6.017 1.00 2.03 O ATOM 89 OE2 GLU A 7 -7.620 5.783 -6.398 1.00 3.25 O ATOM 0 H GLU A 7 -7.498 3.628 -2.264 1.00 0.71 H new ATOM 0 HA GLU A 7 -4.610 3.804 -2.910 1.00 0.69 H new ATOM 0 HB2 GLU A 7 -6.942 5.710 -3.322 1.00 0.91 H new ATOM 0 HB3 GLU A 7 -5.260 6.188 -3.445 1.00 0.91 H new ATOM 0 HG2 GLU A 7 -4.903 4.661 -5.334 1.00 0.88 H new ATOM 0 HG3 GLU A 7 -6.508 3.984 -5.147 1.00 0.88 H new ATOM 96 N LEU A 8 -4.367 4.432 -0.484 1.00 0.54 N ATOM 97 CA LEU A 8 -4.085 4.906 0.859 1.00 0.58 C ATOM 98 C LEU A 8 -2.868 5.820 0.770 1.00 0.52 C ATOM 99 O LEU A 8 -1.881 5.500 0.110 1.00 0.52 O ATOM 100 CB LEU A 8 -3.916 3.757 1.875 1.00 0.70 C ATOM 101 CG LEU A 8 -3.385 2.450 1.273 1.00 0.73 C ATOM 102 CD1 LEU A 8 -2.691 1.648 2.373 1.00 1.02 C ATOM 103 CD2 LEU A 8 -4.515 1.572 0.704 1.00 1.48 C ATOM 0 H LEU A 8 -3.669 3.780 -0.842 1.00 0.54 H new ATOM 0 HA LEU A 8 -4.935 5.468 1.246 1.00 0.58 H new ATOM 0 HB2 LEU A 8 -3.236 4.082 2.663 1.00 0.70 H new ATOM 0 HB3 LEU A 8 -4.879 3.561 2.346 1.00 0.70 H new ATOM 0 HG LEU A 8 -2.704 2.714 0.464 1.00 0.73 H new ATOM 0 HD11 LEU A 8 -2.309 0.716 1.957 1.00 1.02 H new ATOM 0 HD12 LEU A 8 -1.864 2.230 2.781 1.00 1.02 H new ATOM 0 HD13 LEU A 8 -3.404 1.426 3.167 1.00 1.02 H new ATOM 0 HD21 LEU A 8 -4.091 0.658 0.289 1.00 1.48 H new ATOM 0 HD22 LEU A 8 -5.215 1.319 1.500 1.00 1.48 H new ATOM 0 HD23 LEU A 8 -5.040 2.118 -0.080 1.00 1.48 H new ATOM 115 N VAL A 9 -2.966 6.978 1.414 1.00 0.53 N ATOM 116 CA VAL A 9 -1.894 7.940 1.548 1.00 0.54 C ATOM 117 C VAL A 9 -0.995 7.404 2.654 1.00 0.53 C ATOM 118 O VAL A 9 -1.420 7.310 3.805 1.00 0.64 O ATOM 119 CB VAL A 9 -2.459 9.342 1.827 1.00 0.67 C ATOM 120 CG1 VAL A 9 -1.369 10.328 2.266 1.00 0.99 C ATOM 121 CG2 VAL A 9 -3.114 9.885 0.550 1.00 1.00 C ATOM 0 H VAL A 9 -3.828 7.277 1.871 1.00 0.53 H new ATOM 0 HA VAL A 9 -1.313 8.058 0.634 1.00 0.54 H new ATOM 0 HB VAL A 9 -3.183 9.248 2.636 1.00 0.67 H new ATOM 0 HG11 VAL A 9 -1.815 11.305 2.452 1.00 0.99 H new ATOM 0 HG12 VAL A 9 -0.897 9.965 3.179 1.00 0.99 H new ATOM 0 HG13 VAL A 9 -0.619 10.415 1.480 1.00 0.99 H new ATOM 0 HG21 VAL A 9 -3.517 10.880 0.742 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.370 9.942 -0.245 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.921 9.220 0.244 1.00 1.00 H new ATOM 131 N VAL A 10 0.215 7.004 2.273 1.00 0.49 N ATOM 132 CA VAL A 10 1.228 6.415 3.118 1.00 0.44 C ATOM 133 C VAL A 10 2.154 7.534 3.586 1.00 0.47 C ATOM 134 O VAL A 10 3.086 7.897 2.874 1.00 0.63 O ATOM 135 CB VAL A 10 1.967 5.306 2.341 1.00 0.41 C ATOM 136 CG1 VAL A 10 1.139 4.016 2.363 1.00 0.60 C ATOM 137 CG2 VAL A 10 2.279 5.646 0.875 1.00 0.67 C ATOM 0 H VAL A 10 0.525 7.092 1.305 1.00 0.49 H new ATOM 0 HA VAL A 10 0.795 5.940 3.998 1.00 0.44 H new ATOM 0 HB VAL A 10 2.923 5.190 2.852 1.00 0.41 H new ATOM 0 HG11 VAL A 10 1.666 3.236 1.813 1.00 0.60 H new ATOM 0 HG12 VAL A 10 0.992 3.696 3.394 1.00 0.60 H new ATOM 0 HG13 VAL A 10 0.170 4.197 1.897 1.00 0.60 H new ATOM 0 HG21 VAL A 10 2.799 4.808 0.410 1.00 0.67 H new ATOM 0 HG22 VAL A 10 1.349 5.838 0.340 1.00 0.67 H new ATOM 0 HG23 VAL A 10 2.911 6.533 0.834 1.00 0.67 H new ATOM 147 N ARG A 11 1.920 8.099 4.774 1.00 0.52 N ATOM 148 CA ARG A 11 2.817 9.147 5.256 1.00 0.61 C ATOM 149 C ARG A 11 4.086 8.485 5.799 1.00 0.59 C ATOM 150 O ARG A 11 4.062 7.311 6.176 1.00 0.91 O ATOM 151 CB ARG A 11 2.191 10.070 6.317 1.00 0.91 C ATOM 152 CG ARG A 11 0.790 10.621 6.010 1.00 1.00 C ATOM 153 CD ARG A 11 -0.323 9.609 6.316 1.00 2.23 C ATOM 154 NE ARG A 11 -1.629 10.240 6.525 1.00 3.11 N ATOM 155 CZ ARG A 11 -2.018 10.884 7.637 1.00 3.55 C ATOM 156 NH1 ARG A 11 -1.216 10.975 8.704 1.00 3.61 N ATOM 157 NH2 ARG A 11 -3.237 11.434 7.673 1.00 4.97 N ATOM 0 H ARG A 11 1.148 7.860 5.397 1.00 0.52 H new ATOM 0 HA ARG A 11 3.044 9.798 4.411 1.00 0.61 H new ATOM 0 HB2 ARG A 11 2.143 9.523 7.259 1.00 0.91 H new ATOM 0 HB3 ARG A 11 2.862 10.914 6.473 1.00 0.91 H new ATOM 0 HG2 ARG A 11 0.624 11.526 6.594 1.00 1.00 H new ATOM 0 HG3 ARG A 11 0.738 10.906 4.959 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -0.397 8.898 5.493 1.00 2.23 H new ATOM 0 HD3 ARG A 11 -0.054 9.040 7.206 1.00 2.23 H new ATOM 0 HE ARG A 11 -2.301 10.185 5.759 1.00 3.11 H new ATOM 0 HH11 ARG A 11 -0.289 10.550 8.683 1.00 3.61 H new ATOM 0 HH12 ARG A 11 -1.532 11.469 9.539 1.00 3.61 H new ATOM 0 HH21 ARG A 11 -3.854 11.360 6.864 1.00 4.97 H new ATOM 0 HH22 ARG A 11 -3.550 11.927 8.509 1.00 4.97 H new ATOM 171 N GLY A 12 5.192 9.234 5.817 1.00 0.65 N ATOM 172 CA GLY A 12 6.489 8.772 6.290 1.00 0.64 C ATOM 173 C GLY A 12 7.456 8.596 5.122 1.00 0.55 C ATOM 174 O GLY A 12 8.566 9.123 5.152 1.00 0.67 O ATOM 0 H GLY A 12 5.205 10.201 5.494 1.00 0.65 H new ATOM 0 HA2 GLY A 12 6.898 9.488 7.003 1.00 0.64 H new ATOM 0 HA3 GLY A 12 6.373 7.826 6.819 1.00 0.64 H new ATOM 178 N MET A 13 7.044 7.858 4.089 1.00 0.60 N ATOM 179 CA MET A 13 7.868 7.597 2.928 1.00 0.60 C ATOM 180 C MET A 13 8.198 8.889 2.177 1.00 0.75 C ATOM 181 O MET A 13 7.341 9.769 2.065 1.00 1.11 O ATOM 182 CB MET A 13 7.109 6.603 2.053 1.00 0.94 C ATOM 183 CG MET A 13 5.783 7.171 1.531 1.00 1.06 C ATOM 184 SD MET A 13 5.822 7.856 -0.138 1.00 1.84 S ATOM 185 CE MET A 13 6.280 6.357 -1.012 1.00 1.07 C ATOM 0 H MET A 13 6.121 7.426 4.043 1.00 0.60 H new ATOM 0 HA MET A 13 8.829 7.176 3.224 1.00 0.60 H new ATOM 0 HB2 MET A 13 7.735 6.316 1.208 1.00 0.94 H new ATOM 0 HB3 MET A 13 6.912 5.697 2.626 1.00 0.94 H new ATOM 0 HG2 MET A 13 5.034 6.379 1.561 1.00 1.06 H new ATOM 0 HG3 MET A 13 5.450 7.951 2.215 1.00 1.06 H new ATOM 0 HE1 MET A 13 6.020 6.456 -2.066 1.00 1.07 H new ATOM 0 HE2 MET A 13 7.354 6.194 -0.917 1.00 1.07 H new ATOM 0 HE3 MET A 13 5.745 5.509 -0.585 1.00 1.07 H new ATOM 195 N THR A 14 9.432 9.011 1.673 1.00 0.72 N ATOM 196 CA THR A 14 9.888 10.255 1.059 1.00 1.00 C ATOM 197 C THR A 14 11.021 10.071 0.037 1.00 0.81 C ATOM 198 O THR A 14 11.593 11.073 -0.395 1.00 0.95 O ATOM 199 CB THR A 14 10.256 11.260 2.170 1.00 1.49 C ATOM 200 OG1 THR A 14 10.554 12.528 1.622 1.00 2.26 O ATOM 201 CG2 THR A 14 11.440 10.787 3.020 1.00 1.70 C ATOM 0 H THR A 14 10.127 8.264 1.680 1.00 0.72 H new ATOM 0 HA THR A 14 9.063 10.653 0.468 1.00 1.00 H new ATOM 0 HB THR A 14 9.383 11.334 2.818 1.00 1.49 H new ATOM 0 HG1 THR A 14 11.005 12.414 0.759 1.00 2.26 H new ATOM 0 HG21 THR A 14 11.658 11.531 3.787 1.00 1.70 H new ATOM 0 HG22 THR A 14 11.191 9.838 3.495 1.00 1.70 H new ATOM 0 HG23 THR A 14 12.315 10.655 2.384 1.00 1.70 H new ATOM 209 N CYS A 15 11.350 8.842 -0.379 1.00 0.80 N ATOM 210 CA CYS A 15 12.432 8.597 -1.321 1.00 0.74 C ATOM 211 C CYS A 15 12.281 7.206 -1.933 1.00 0.68 C ATOM 212 O CYS A 15 11.577 6.357 -1.385 1.00 0.62 O ATOM 213 CB CYS A 15 13.798 8.778 -0.639 1.00 0.82 C ATOM 214 SG CYS A 15 13.893 8.330 1.116 1.00 1.39 S ATOM 0 H CYS A 15 10.871 7.996 -0.069 1.00 0.80 H new ATOM 0 HA CYS A 15 12.378 9.328 -2.128 1.00 0.74 H new ATOM 0 HB2 CYS A 15 14.532 8.184 -1.183 1.00 0.82 H new ATOM 0 HB3 CYS A 15 14.094 9.822 -0.741 1.00 0.82 H new ATOM 0 HG CYS A 15 15.101 8.533 1.551 1.00 1.39 H new ATOM 219 N ALA A 16 12.955 6.992 -3.072 1.00 0.76 N ATOM 220 CA ALA A 16 12.945 5.753 -3.847 1.00 0.80 C ATOM 221 C ALA A 16 13.129 4.521 -2.960 1.00 0.74 C ATOM 222 O ALA A 16 12.477 3.497 -3.164 1.00 0.76 O ATOM 223 CB ALA A 16 14.040 5.815 -4.916 1.00 0.92 C ATOM 0 H ALA A 16 13.545 7.710 -3.492 1.00 0.76 H new ATOM 0 HA ALA A 16 11.970 5.657 -4.324 1.00 0.80 H new ATOM 0 HB1 ALA A 16 14.035 4.892 -5.496 1.00 0.92 H new ATOM 0 HB2 ALA A 16 13.854 6.661 -5.578 1.00 0.92 H new ATOM 0 HB3 ALA A 16 15.011 5.937 -4.436 1.00 0.92 H new ATOM 229 N SER A 17 14.006 4.642 -1.960 1.00 0.73 N ATOM 230 CA SER A 17 14.179 3.683 -0.888 1.00 0.75 C ATOM 231 C SER A 17 12.835 3.131 -0.405 1.00 0.74 C ATOM 232 O SER A 17 12.601 1.924 -0.422 1.00 0.93 O ATOM 233 CB SER A 17 14.950 4.384 0.233 1.00 0.93 C ATOM 234 OG SER A 17 16.055 5.059 -0.342 1.00 1.85 O ATOM 0 H SER A 17 14.633 5.442 -1.880 1.00 0.73 H new ATOM 0 HA SER A 17 14.741 2.818 -1.239 1.00 0.75 H new ATOM 0 HB2 SER A 17 14.304 5.090 0.755 1.00 0.93 H new ATOM 0 HB3 SER A 17 15.291 3.658 0.971 1.00 0.93 H new ATOM 0 HG SER A 17 16.561 5.516 0.362 1.00 1.85 H new ATOM 240 N CYS A 18 11.934 4.022 0.004 1.00 0.65 N ATOM 241 CA CYS A 18 10.643 3.638 0.535 1.00 0.64 C ATOM 242 C CYS A 18 9.753 3.065 -0.561 1.00 0.66 C ATOM 243 O CYS A 18 8.993 2.135 -0.307 1.00 0.78 O ATOM 244 CB CYS A 18 9.988 4.848 1.189 1.00 0.67 C ATOM 245 SG CYS A 18 10.989 5.620 2.482 1.00 0.80 S ATOM 0 H CYS A 18 12.086 5.030 -0.027 1.00 0.65 H new ATOM 0 HA CYS A 18 10.783 2.859 1.284 1.00 0.64 H new ATOM 0 HB2 CYS A 18 9.771 5.590 0.421 1.00 0.67 H new ATOM 0 HB3 CYS A 18 9.033 4.544 1.617 1.00 0.67 H new ATOM 0 HG CYS A 18 11.415 6.777 2.069 1.00 0.80 H new ATOM 250 N VAL A 19 9.841 3.616 -1.774 1.00 0.60 N ATOM 251 CA VAL A 19 9.024 3.178 -2.896 1.00 0.61 C ATOM 252 C VAL A 19 9.246 1.685 -3.085 1.00 0.63 C ATOM 253 O VAL A 19 8.319 0.876 -2.996 1.00 0.66 O ATOM 254 CB VAL A 19 9.382 3.964 -4.173 1.00 0.64 C ATOM 255 CG1 VAL A 19 8.551 3.542 -5.392 1.00 0.72 C ATOM 256 CG2 VAL A 19 9.206 5.462 -3.937 1.00 0.60 C ATOM 0 H VAL A 19 10.481 4.377 -2.001 1.00 0.60 H new ATOM 0 HA VAL A 19 7.970 3.369 -2.692 1.00 0.61 H new ATOM 0 HB VAL A 19 10.424 3.734 -4.394 1.00 0.64 H new ATOM 0 HG11 VAL A 19 8.850 4.132 -6.258 1.00 0.72 H new ATOM 0 HG12 VAL A 19 8.718 2.485 -5.598 1.00 0.72 H new ATOM 0 HG13 VAL A 19 7.494 3.709 -5.187 1.00 0.72 H new ATOM 0 HG21 VAL A 19 9.462 6.006 -4.846 1.00 0.60 H new ATOM 0 HG22 VAL A 19 8.170 5.669 -3.670 1.00 0.60 H new ATOM 0 HG23 VAL A 19 9.861 5.782 -3.126 1.00 0.60 H new ATOM 266 N HIS A 20 10.504 1.318 -3.330 1.00 0.66 N ATOM 267 CA HIS A 20 10.814 -0.056 -3.606 1.00 0.70 C ATOM 268 C HIS A 20 10.616 -0.932 -2.366 1.00 0.69 C ATOM 269 O HIS A 20 10.131 -2.051 -2.515 1.00 0.74 O ATOM 270 CB HIS A 20 12.150 -0.160 -4.342 1.00 0.78 C ATOM 271 CG HIS A 20 13.380 0.443 -3.715 1.00 0.92 C ATOM 272 ND1 HIS A 20 14.369 1.102 -4.410 1.00 1.16 N ATOM 273 CD2 HIS A 20 13.860 0.197 -2.458 1.00 0.91 C ATOM 274 CE1 HIS A 20 15.418 1.252 -3.585 1.00 1.28 C ATOM 275 NE2 HIS A 20 15.161 0.703 -2.387 1.00 1.12 N ATOM 0 H HIS A 20 11.303 1.952 -3.340 1.00 0.66 H new ATOM 0 HA HIS A 20 10.100 -0.484 -4.309 1.00 0.70 H new ATOM 0 HB2 HIS A 20 12.351 -1.218 -4.510 1.00 0.78 H new ATOM 0 HB3 HIS A 20 12.022 0.299 -5.322 1.00 0.78 H new ATOM 0 HD2 HIS A 20 13.328 -0.301 -1.661 1.00 0.91 H new ATOM 0 HE1 HIS A 20 16.341 1.746 -3.849 1.00 1.28 H new ATOM 0 HE2 HIS A 20 15.790 0.663 -1.585 1.00 1.12 H new ATOM 283 N LYS A 21 10.905 -0.445 -1.148 1.00 0.68 N ATOM 284 CA LYS A 21 10.598 -1.139 0.085 1.00 0.71 C ATOM 285 C LYS A 21 9.127 -1.561 0.106 1.00 0.63 C ATOM 286 O LYS A 21 8.823 -2.739 0.297 1.00 0.70 O ATOM 287 CB LYS A 21 10.922 -0.189 1.245 1.00 0.87 C ATOM 288 CG LYS A 21 10.973 -0.912 2.579 1.00 1.15 C ATOM 289 CD LYS A 21 10.937 0.120 3.715 1.00 1.82 C ATOM 290 CE LYS A 21 11.093 -0.521 5.101 1.00 2.64 C ATOM 291 NZ LYS A 21 10.852 0.451 6.192 1.00 3.78 N ATOM 0 H LYS A 21 11.364 0.454 -1.005 1.00 0.68 H new ATOM 0 HA LYS A 21 11.192 -2.048 0.175 1.00 0.71 H new ATOM 0 HB2 LYS A 21 11.881 0.296 1.059 1.00 0.87 H new ATOM 0 HB3 LYS A 21 10.170 0.599 1.289 1.00 0.87 H new ATOM 0 HG2 LYS A 21 10.130 -1.597 2.667 1.00 1.15 H new ATOM 0 HG3 LYS A 21 11.880 -1.513 2.646 1.00 1.15 H new ATOM 0 HD2 LYS A 21 11.734 0.849 3.564 1.00 1.82 H new ATOM 0 HD3 LYS A 21 9.994 0.666 3.675 1.00 1.82 H new ATOM 0 HE2 LYS A 21 10.395 -1.353 5.196 1.00 2.64 H new ATOM 0 HE3 LYS A 21 12.097 -0.934 5.199 1.00 2.64 H new ATOM 0 HZ1 LYS A 21 11.711 0.544 6.770 1.00 3.78 H new ATOM 0 HZ2 LYS A 21 10.607 1.376 5.785 1.00 3.78 H new ATOM 0 HZ3 LYS A 21 10.068 0.116 6.788 1.00 3.78 H new ATOM 305 N ILE A 22 8.226 -0.591 -0.079 1.00 0.52 N ATOM 306 CA ILE A 22 6.789 -0.816 -0.092 1.00 0.46 C ATOM 307 C ILE A 22 6.465 -1.894 -1.112 1.00 0.42 C ATOM 308 O ILE A 22 5.950 -2.952 -0.744 1.00 0.45 O ATOM 309 CB ILE A 22 6.046 0.505 -0.376 1.00 0.56 C ATOM 310 CG1 ILE A 22 6.134 1.366 0.884 1.00 0.50 C ATOM 311 CG2 ILE A 22 4.573 0.289 -0.749 1.00 0.97 C ATOM 312 CD1 ILE A 22 5.700 2.820 0.709 1.00 0.77 C ATOM 0 H ILE A 22 8.485 0.385 -0.225 1.00 0.52 H new ATOM 0 HA ILE A 22 6.451 -1.164 0.884 1.00 0.46 H new ATOM 0 HB ILE A 22 6.516 0.990 -1.232 1.00 0.56 H new ATOM 0 HG12 ILE A 22 5.518 0.911 1.660 1.00 0.50 H new ATOM 0 HG13 ILE A 22 7.163 1.351 1.244 1.00 0.50 H new ATOM 0 HG21 ILE A 22 4.100 1.253 -0.938 1.00 0.97 H new ATOM 0 HG22 ILE A 22 4.511 -0.327 -1.646 1.00 0.97 H new ATOM 0 HG23 ILE A 22 4.060 -0.212 0.072 1.00 0.97 H new ATOM 0 HD11 ILE A 22 5.799 3.346 1.658 1.00 0.77 H new ATOM 0 HD12 ILE A 22 6.330 3.300 -0.040 1.00 0.77 H new ATOM 0 HD13 ILE A 22 4.660 2.853 0.383 1.00 0.77 H new ATOM 324 N GLU A 23 6.756 -1.628 -2.386 1.00 0.45 N ATOM 325 CA GLU A 23 6.324 -2.526 -3.438 1.00 0.48 C ATOM 326 C GLU A 23 6.912 -3.915 -3.223 1.00 0.48 C ATOM 327 O GLU A 23 6.151 -4.869 -3.087 1.00 0.50 O ATOM 328 CB GLU A 23 6.602 -1.932 -4.821 1.00 0.67 C ATOM 329 CG GLU A 23 5.817 -0.619 -4.958 1.00 1.28 C ATOM 330 CD GLU A 23 5.778 -0.068 -6.375 1.00 1.69 C ATOM 331 OE1 GLU A 23 6.238 -0.775 -7.300 1.00 2.20 O ATOM 332 OE2 GLU A 23 5.261 1.061 -6.501 1.00 2.60 O ATOM 0 H GLU A 23 7.279 -0.812 -2.703 1.00 0.45 H new ATOM 0 HA GLU A 23 5.242 -2.646 -3.392 1.00 0.48 H new ATOM 0 HB2 GLU A 23 7.669 -1.749 -4.947 1.00 0.67 H new ATOM 0 HB3 GLU A 23 6.305 -2.633 -5.601 1.00 0.67 H new ATOM 0 HG2 GLU A 23 4.796 -0.780 -4.613 1.00 1.28 H new ATOM 0 HG3 GLU A 23 6.261 0.128 -4.300 1.00 1.28 H new ATOM 339 N SER A 24 8.241 -4.030 -3.115 1.00 0.56 N ATOM 340 CA SER A 24 8.888 -5.326 -2.948 1.00 0.66 C ATOM 341 C SER A 24 8.313 -6.080 -1.749 1.00 0.70 C ATOM 342 O SER A 24 8.002 -7.267 -1.854 1.00 0.82 O ATOM 343 CB SER A 24 10.412 -5.185 -2.838 1.00 0.80 C ATOM 344 OG SER A 24 10.792 -4.517 -1.651 1.00 2.05 O ATOM 0 H SER A 24 8.884 -3.239 -3.141 1.00 0.56 H new ATOM 0 HA SER A 24 8.679 -5.914 -3.842 1.00 0.66 H new ATOM 0 HB2 SER A 24 10.871 -6.173 -2.862 1.00 0.80 H new ATOM 0 HB3 SER A 24 10.790 -4.637 -3.701 1.00 0.80 H new ATOM 0 HG SER A 24 10.614 -3.558 -1.744 1.00 2.05 H new ATOM 350 N SER A 25 8.179 -5.410 -0.598 1.00 0.68 N ATOM 351 CA SER A 25 7.730 -6.100 0.596 1.00 0.82 C ATOM 352 C SER A 25 6.254 -6.481 0.494 1.00 0.75 C ATOM 353 O SER A 25 5.849 -7.506 1.043 1.00 0.82 O ATOM 354 CB SER A 25 8.044 -5.301 1.858 1.00 0.97 C ATOM 355 OG SER A 25 7.987 -6.186 2.972 1.00 1.38 O ATOM 0 H SER A 25 8.372 -4.416 -0.478 1.00 0.68 H new ATOM 0 HA SER A 25 8.290 -7.032 0.675 1.00 0.82 H new ATOM 0 HB2 SER A 25 9.032 -4.847 1.784 1.00 0.97 H new ATOM 0 HB3 SER A 25 7.328 -4.489 1.981 1.00 0.97 H new ATOM 0 HG SER A 25 8.340 -5.735 3.767 1.00 1.38 H new ATOM 361 N LEU A 26 5.433 -5.690 -0.193 1.00 0.71 N ATOM 362 CA LEU A 26 4.054 -6.093 -0.424 1.00 0.78 C ATOM 363 C LEU A 26 3.995 -7.291 -1.377 1.00 0.83 C ATOM 364 O LEU A 26 3.353 -8.292 -1.047 1.00 1.01 O ATOM 365 CB LEU A 26 3.211 -4.912 -0.913 1.00 0.74 C ATOM 366 CG LEU A 26 2.962 -3.876 0.198 1.00 0.93 C ATOM 367 CD1 LEU A 26 2.379 -2.613 -0.434 1.00 2.11 C ATOM 368 CD2 LEU A 26 1.982 -4.376 1.268 1.00 1.67 C ATOM 0 H LEU A 26 5.693 -4.787 -0.590 1.00 0.71 H new ATOM 0 HA LEU A 26 3.620 -6.415 0.523 1.00 0.78 H new ATOM 0 HB2 LEU A 26 3.715 -4.430 -1.751 1.00 0.74 H new ATOM 0 HB3 LEU A 26 2.255 -5.280 -1.285 1.00 0.74 H new ATOM 0 HG LEU A 26 3.918 -3.684 0.686 1.00 0.93 H new ATOM 0 HD11 LEU A 26 2.197 -1.869 0.341 1.00 2.11 H new ATOM 0 HD12 LEU A 26 3.083 -2.213 -1.163 1.00 2.11 H new ATOM 0 HD13 LEU A 26 1.440 -2.855 -0.932 1.00 2.11 H new ATOM 0 HD21 LEU A 26 1.845 -3.604 2.025 1.00 1.67 H new ATOM 0 HD22 LEU A 26 1.022 -4.604 0.804 1.00 1.67 H new ATOM 0 HD23 LEU A 26 2.382 -5.276 1.736 1.00 1.67 H new ATOM 380 N THR A 27 4.650 -7.198 -2.543 1.00 0.72 N ATOM 381 CA THR A 27 4.604 -8.193 -3.612 1.00 0.80 C ATOM 382 C THR A 27 5.270 -9.497 -3.171 1.00 1.11 C ATOM 383 O THR A 27 6.396 -9.800 -3.563 1.00 1.86 O ATOM 384 CB THR A 27 5.256 -7.640 -4.889 1.00 0.89 C ATOM 385 OG1 THR A 27 6.579 -7.237 -4.616 1.00 1.75 O ATOM 386 CG2 THR A 27 4.464 -6.463 -5.468 1.00 1.18 C ATOM 0 H THR A 27 5.244 -6.401 -2.771 1.00 0.72 H new ATOM 0 HA THR A 27 3.560 -8.413 -3.833 1.00 0.80 H new ATOM 0 HB THR A 27 5.259 -8.438 -5.632 1.00 0.89 H new ATOM 0 HG1 THR A 27 6.570 -6.358 -4.183 1.00 1.75 H new ATOM 0 HG21 THR A 27 4.958 -6.101 -6.370 1.00 1.18 H new ATOM 0 HG22 THR A 27 3.454 -6.790 -5.714 1.00 1.18 H new ATOM 0 HG23 THR A 27 4.416 -5.660 -4.733 1.00 1.18 H new ATOM 394 N LYS A 28 4.549 -10.244 -2.342 1.00 1.17 N ATOM 395 CA LYS A 28 4.923 -11.498 -1.717 1.00 1.33 C ATOM 396 C LYS A 28 3.771 -11.985 -0.835 1.00 1.09 C ATOM 397 O LYS A 28 3.488 -13.181 -0.833 1.00 1.14 O ATOM 398 CB LYS A 28 6.252 -11.414 -0.941 1.00 1.79 C ATOM 399 CG LYS A 28 6.432 -10.146 -0.094 1.00 1.96 C ATOM 400 CD LYS A 28 7.701 -10.234 0.778 1.00 2.70 C ATOM 401 CE LYS A 28 7.397 -10.305 2.284 1.00 3.10 C ATOM 402 NZ LYS A 28 6.947 -9.009 2.842 1.00 3.68 N ATOM 0 H LYS A 28 3.608 -9.959 -2.070 1.00 1.17 H new ATOM 0 HA LYS A 28 5.103 -12.229 -2.506 1.00 1.33 H new ATOM 0 HB2 LYS A 28 6.329 -12.283 -0.287 1.00 1.79 H new ATOM 0 HB3 LYS A 28 7.075 -11.477 -1.653 1.00 1.79 H new ATOM 0 HG2 LYS A 28 6.496 -9.275 -0.747 1.00 1.96 H new ATOM 0 HG3 LYS A 28 5.559 -10.004 0.543 1.00 1.96 H new ATOM 0 HD2 LYS A 28 8.273 -11.115 0.487 1.00 2.70 H new ATOM 0 HD3 LYS A 28 8.330 -9.366 0.581 1.00 2.70 H new ATOM 0 HE2 LYS A 28 6.628 -11.057 2.459 1.00 3.10 H new ATOM 0 HE3 LYS A 28 8.291 -10.633 2.815 1.00 3.10 H new ATOM 0 HZ1 LYS A 28 6.474 -9.169 3.754 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 7.769 -8.388 2.983 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 6.282 -8.559 2.181 1.00 3.68 H new ATOM 416 N HIS A 29 3.086 -11.093 -0.102 1.00 1.03 N ATOM 417 CA HIS A 29 1.928 -11.545 0.658 1.00 1.16 C ATOM 418 C HIS A 29 0.811 -11.917 -0.314 1.00 0.97 C ATOM 419 O HIS A 29 0.598 -11.237 -1.319 1.00 1.33 O ATOM 420 CB HIS A 29 1.482 -10.531 1.720 1.00 1.52 C ATOM 421 CG HIS A 29 0.643 -9.375 1.239 1.00 0.87 C ATOM 422 ND1 HIS A 29 -0.701 -9.426 0.943 1.00 1.42 N ATOM 423 CD2 HIS A 29 1.012 -8.058 1.260 1.00 0.82 C ATOM 424 CE1 HIS A 29 -1.121 -8.163 0.770 1.00 2.04 C ATOM 425 NE2 HIS A 29 -0.112 -7.293 0.942 1.00 1.66 N ATOM 0 H HIS A 29 3.306 -10.100 -0.024 1.00 1.03 H new ATOM 0 HA HIS A 29 2.206 -12.432 1.227 1.00 1.16 H new ATOM 0 HB2 HIS A 29 0.919 -11.065 2.486 1.00 1.52 H new ATOM 0 HB3 HIS A 29 2.373 -10.128 2.202 1.00 1.52 H new ATOM 0 HD1 HIS A 29 -1.272 -10.268 0.869 1.00 1.42 H new ATOM 0 HD2 HIS A 29 1.998 -7.677 1.483 1.00 0.82 H new ATOM 0 HE1 HIS A 29 -2.135 -7.883 0.525 1.00 2.04 H new ATOM 433 N ARG A 30 0.097 -13.007 -0.028 1.00 0.99 N ATOM 434 CA ARG A 30 -1.004 -13.427 -0.873 1.00 1.11 C ATOM 435 C ARG A 30 -2.054 -12.314 -0.918 1.00 1.31 C ATOM 436 O ARG A 30 -2.255 -11.600 0.065 1.00 2.67 O ATOM 437 CB ARG A 30 -1.576 -14.757 -0.364 1.00 1.41 C ATOM 438 CG ARG A 30 -2.595 -15.434 -1.298 1.00 2.42 C ATOM 439 CD ARG A 30 -1.987 -16.073 -2.559 1.00 2.79 C ATOM 440 NE ARG A 30 -1.762 -15.103 -3.650 1.00 4.28 N ATOM 441 CZ ARG A 30 -0.590 -14.776 -4.229 1.00 5.66 C ATOM 442 NH1 ARG A 30 0.561 -15.318 -3.810 1.00 6.08 N ATOM 443 NH2 ARG A 30 -0.572 -13.880 -5.222 1.00 7.34 N ATOM 0 H ARG A 30 0.266 -13.607 0.779 1.00 0.99 H new ATOM 0 HA ARG A 30 -0.659 -13.600 -1.892 1.00 1.11 H new ATOM 0 HB2 ARG A 30 -0.750 -15.447 -0.193 1.00 1.41 H new ATOM 0 HB3 ARG A 30 -2.052 -14.584 0.601 1.00 1.41 H new ATOM 0 HG2 ARG A 30 -3.126 -16.203 -0.737 1.00 2.42 H new ATOM 0 HG3 ARG A 30 -3.335 -14.694 -1.603 1.00 2.42 H new ATOM 0 HD2 ARG A 30 -1.039 -16.544 -2.299 1.00 2.79 H new ATOM 0 HD3 ARG A 30 -2.649 -16.863 -2.914 1.00 2.79 H new ATOM 0 HE ARG A 30 -2.590 -14.625 -4.006 1.00 4.28 H new ATOM 0 HH11 ARG A 30 0.559 -15.989 -3.042 1.00 6.08 H new ATOM 0 HH12 ARG A 30 1.440 -15.060 -4.259 1.00 6.08 H new ATOM 0 HH21 ARG A 30 -1.442 -13.449 -5.536 1.00 7.34 H new ATOM 0 HH22 ARG A 30 0.311 -13.627 -5.665 1.00 7.34 H new ATOM 457 N GLY A 31 -2.692 -12.147 -2.074 1.00 0.66 N ATOM 458 CA GLY A 31 -3.795 -11.220 -2.245 1.00 0.75 C ATOM 459 C GLY A 31 -3.372 -9.892 -2.851 1.00 0.62 C ATOM 460 O GLY A 31 -4.177 -9.300 -3.565 1.00 0.73 O ATOM 0 H GLY A 31 -2.451 -12.659 -2.923 1.00 0.66 H new ATOM 0 HA2 GLY A 31 -4.551 -11.679 -2.882 1.00 0.75 H new ATOM 0 HA3 GLY A 31 -4.262 -11.038 -1.277 1.00 0.75 H new ATOM 464 N ILE A 32 -2.131 -9.431 -2.651 1.00 0.65 N ATOM 465 CA ILE A 32 -1.661 -8.286 -3.407 1.00 0.66 C ATOM 466 C ILE A 32 -1.319 -8.752 -4.818 1.00 0.78 C ATOM 467 O ILE A 32 -0.525 -9.674 -5.007 1.00 0.97 O ATOM 468 CB ILE A 32 -0.511 -7.578 -2.670 1.00 0.68 C ATOM 469 CG1 ILE A 32 -0.763 -6.066 -2.608 1.00 0.80 C ATOM 470 CG2 ILE A 32 0.898 -7.902 -3.175 1.00 1.19 C ATOM 471 CD1 ILE A 32 -0.451 -5.366 -3.924 1.00 1.69 C ATOM 0 H ILE A 32 -1.460 -9.825 -1.992 1.00 0.65 H new ATOM 0 HA ILE A 32 -2.437 -7.526 -3.497 1.00 0.66 H new ATOM 0 HB ILE A 32 -0.522 -7.990 -1.661 1.00 0.68 H new ATOM 0 HG12 ILE A 32 -1.805 -5.886 -2.343 1.00 0.80 H new ATOM 0 HG13 ILE A 32 -0.153 -5.632 -1.816 1.00 0.80 H new ATOM 0 HG21 ILE A 32 1.631 -7.350 -2.587 1.00 1.19 H new ATOM 0 HG22 ILE A 32 1.083 -8.972 -3.075 1.00 1.19 H new ATOM 0 HG23 ILE A 32 0.984 -7.615 -4.223 1.00 1.19 H new ATOM 0 HD11 ILE A 32 -0.647 -4.298 -3.824 1.00 1.69 H new ATOM 0 HD12 ILE A 32 0.598 -5.520 -4.178 1.00 1.69 H new ATOM 0 HD13 ILE A 32 -1.080 -5.778 -4.713 1.00 1.69 H new ATOM 483 N LEU A 33 -1.963 -8.132 -5.804 1.00 0.75 N ATOM 484 CA LEU A 33 -1.658 -8.342 -7.202 1.00 0.87 C ATOM 485 C LEU A 33 -0.516 -7.403 -7.582 1.00 0.98 C ATOM 486 O LEU A 33 0.501 -7.862 -8.097 1.00 1.27 O ATOM 487 CB LEU A 33 -2.910 -8.131 -8.058 1.00 1.02 C ATOM 488 CG LEU A 33 -4.135 -8.912 -7.561 1.00 1.35 C ATOM 489 CD1 LEU A 33 -5.275 -8.747 -8.571 1.00 1.92 C ATOM 490 CD2 LEU A 33 -3.858 -10.407 -7.361 1.00 2.43 C ATOM 0 H LEU A 33 -2.718 -7.464 -5.645 1.00 0.75 H new ATOM 0 HA LEU A 33 -1.338 -9.368 -7.383 1.00 0.87 H new ATOM 0 HB2 LEU A 33 -3.151 -7.068 -8.078 1.00 1.02 H new ATOM 0 HB3 LEU A 33 -2.692 -8.428 -9.084 1.00 1.02 H new ATOM 0 HG LEU A 33 -4.403 -8.502 -6.587 1.00 1.35 H new ATOM 0 HD11 LEU A 33 -6.149 -9.299 -8.226 1.00 1.92 H new ATOM 0 HD12 LEU A 33 -5.527 -7.691 -8.666 1.00 1.92 H new ATOM 0 HD13 LEU A 33 -4.961 -9.134 -9.540 1.00 1.92 H new ATOM 0 HD21 LEU A 33 -4.764 -10.901 -7.009 1.00 2.43 H new ATOM 0 HD22 LEU A 33 -3.548 -10.849 -8.308 1.00 2.43 H new ATOM 0 HD23 LEU A 33 -3.065 -10.535 -6.624 1.00 2.43 H new ATOM 502 N TYR A 34 -0.650 -6.097 -7.305 1.00 0.83 N ATOM 503 CA TYR A 34 0.462 -5.170 -7.455 1.00 1.01 C ATOM 504 C TYR A 34 0.221 -3.953 -6.573 1.00 0.73 C ATOM 505 O TYR A 34 -0.927 -3.541 -6.415 1.00 0.76 O ATOM 506 CB TYR A 34 0.630 -4.761 -8.923 1.00 1.43 C ATOM 507 CG TYR A 34 1.787 -3.811 -9.176 1.00 1.72 C ATOM 508 CD1 TYR A 34 3.084 -4.148 -8.745 1.00 3.30 C ATOM 509 CD2 TYR A 34 1.561 -2.573 -9.804 1.00 1.91 C ATOM 510 CE1 TYR A 34 4.132 -3.215 -8.861 1.00 3.63 C ATOM 511 CE2 TYR A 34 2.624 -1.671 -9.982 1.00 2.18 C ATOM 512 CZ TYR A 34 3.892 -1.960 -9.448 1.00 2.52 C ATOM 513 OH TYR A 34 4.887 -1.036 -9.548 1.00 2.95 O ATOM 0 H TYR A 34 -1.516 -5.669 -6.978 1.00 0.83 H new ATOM 0 HA TYR A 34 1.385 -5.658 -7.143 1.00 1.01 H new ATOM 0 HB2 TYR A 34 0.773 -5.659 -9.524 1.00 1.43 H new ATOM 0 HB3 TYR A 34 -0.292 -4.292 -9.266 1.00 1.43 H new ATOM 0 HD1 TYR A 34 3.276 -5.124 -8.325 1.00 3.30 H new ATOM 0 HD2 TYR A 34 0.571 -2.316 -10.149 1.00 1.91 H new ATOM 0 HE1 TYR A 34 5.119 -3.463 -8.500 1.00 3.63 H new ATOM 0 HE2 TYR A 34 2.466 -0.754 -10.530 1.00 2.18 H new ATOM 0 HH TYR A 34 5.533 -1.171 -8.823 1.00 2.95 H new ATOM 523 N CYS A 35 1.284 -3.387 -6.000 1.00 0.86 N ATOM 524 CA CYS A 35 1.236 -2.080 -5.365 1.00 0.73 C ATOM 525 C CYS A 35 1.969 -1.113 -6.274 1.00 0.77 C ATOM 526 O CYS A 35 3.080 -1.418 -6.687 1.00 1.27 O ATOM 527 CB CYS A 35 1.905 -2.096 -3.992 1.00 0.98 C ATOM 528 SG CYS A 35 1.962 -0.379 -3.413 1.00 2.65 S ATOM 0 H CYS A 35 2.203 -3.828 -5.966 1.00 0.86 H new ATOM 0 HA CYS A 35 0.198 -1.784 -5.216 1.00 0.73 H new ATOM 0 HB2 CYS A 35 1.344 -2.720 -3.296 1.00 0.98 H new ATOM 0 HB3 CYS A 35 2.909 -2.515 -4.057 1.00 0.98 H new ATOM 0 HG CYS A 35 2.325 -0.354 -2.165 1.00 2.65 H new ATOM 534 N SER A 36 1.344 0.018 -6.588 1.00 0.54 N ATOM 535 CA SER A 36 1.987 1.145 -7.235 1.00 0.86 C ATOM 536 C SER A 36 2.017 2.260 -6.193 1.00 0.67 C ATOM 537 O SER A 36 0.958 2.831 -5.912 1.00 0.78 O ATOM 538 CB SER A 36 1.168 1.531 -8.472 1.00 1.47 C ATOM 539 OG SER A 36 1.791 2.577 -9.192 1.00 2.25 O ATOM 0 H SER A 36 0.355 0.175 -6.393 1.00 0.54 H new ATOM 0 HA SER A 36 3.000 0.928 -7.575 1.00 0.86 H new ATOM 0 HB2 SER A 36 1.049 0.662 -9.119 1.00 1.47 H new ATOM 0 HB3 SER A 36 0.168 1.841 -8.167 1.00 1.47 H new ATOM 0 HG SER A 36 1.249 2.802 -9.977 1.00 2.25 H new ATOM 545 N VAL A 37 3.172 2.537 -5.573 1.00 0.60 N ATOM 546 CA VAL A 37 3.320 3.679 -4.687 1.00 0.54 C ATOM 547 C VAL A 37 4.054 4.825 -5.385 1.00 0.63 C ATOM 548 O VAL A 37 5.004 4.600 -6.132 1.00 0.81 O ATOM 549 CB VAL A 37 3.969 3.235 -3.370 1.00 0.59 C ATOM 550 CG1 VAL A 37 5.474 3.029 -3.505 1.00 1.66 C ATOM 551 CG2 VAL A 37 3.721 4.255 -2.260 1.00 1.84 C ATOM 0 H VAL A 37 4.018 1.976 -5.676 1.00 0.60 H new ATOM 0 HA VAL A 37 2.338 4.079 -4.433 1.00 0.54 H new ATOM 0 HB VAL A 37 3.504 2.283 -3.115 1.00 0.59 H new ATOM 0 HG11 VAL A 37 5.886 2.715 -2.546 1.00 1.66 H new ATOM 0 HG12 VAL A 37 5.670 2.261 -4.253 1.00 1.66 H new ATOM 0 HG13 VAL A 37 5.943 3.963 -3.813 1.00 1.66 H new ATOM 0 HG21 VAL A 37 4.193 3.913 -1.339 1.00 1.84 H new ATOM 0 HG22 VAL A 37 4.144 5.217 -2.549 1.00 1.84 H new ATOM 0 HG23 VAL A 37 2.648 4.364 -2.099 1.00 1.84 H new ATOM 561 N ALA A 38 3.629 6.069 -5.133 1.00 0.64 N ATOM 562 CA ALA A 38 4.322 7.257 -5.606 1.00 0.68 C ATOM 563 C ALA A 38 4.401 8.303 -4.502 1.00 0.73 C ATOM 564 O ALA A 38 3.405 8.619 -3.845 1.00 0.77 O ATOM 565 CB ALA A 38 3.642 7.840 -6.840 1.00 0.69 C ATOM 0 H ALA A 38 2.789 6.273 -4.591 1.00 0.64 H new ATOM 0 HA ALA A 38 5.334 6.964 -5.886 1.00 0.68 H new ATOM 0 HB1 ALA A 38 4.184 8.727 -7.169 1.00 0.69 H new ATOM 0 HB2 ALA A 38 3.640 7.099 -7.639 1.00 0.69 H new ATOM 0 HB3 ALA A 38 2.615 8.112 -6.595 1.00 0.69 H new ATOM 571 N LEU A 39 5.603 8.857 -4.332 1.00 0.77 N ATOM 572 CA LEU A 39 5.918 9.802 -3.271 1.00 0.85 C ATOM 573 C LEU A 39 5.358 11.191 -3.566 1.00 0.81 C ATOM 574 O LEU A 39 4.961 11.895 -2.646 1.00 0.84 O ATOM 575 CB LEU A 39 7.418 9.784 -2.936 1.00 1.07 C ATOM 576 CG LEU A 39 8.359 10.283 -4.048 1.00 1.10 C ATOM 577 CD1 LEU A 39 8.614 11.794 -3.946 1.00 2.13 C ATOM 578 CD2 LEU A 39 9.708 9.566 -3.914 1.00 1.43 C ATOM 0 H LEU A 39 6.396 8.655 -4.941 1.00 0.77 H new ATOM 0 HA LEU A 39 5.411 9.480 -2.361 1.00 0.85 H new ATOM 0 HB2 LEU A 39 7.580 10.395 -2.048 1.00 1.07 H new ATOM 0 HB3 LEU A 39 7.701 8.764 -2.677 1.00 1.07 H new ATOM 0 HG LEU A 39 7.884 10.073 -5.006 1.00 1.10 H new ATOM 0 HD11 LEU A 39 9.283 12.105 -4.749 1.00 2.13 H new ATOM 0 HD12 LEU A 39 7.668 12.329 -4.033 1.00 2.13 H new ATOM 0 HD13 LEU A 39 9.072 12.022 -2.984 1.00 2.13 H new ATOM 0 HD21 LEU A 39 10.383 9.912 -4.697 1.00 1.43 H new ATOM 0 HD22 LEU A 39 10.141 9.785 -2.938 1.00 1.43 H new ATOM 0 HD23 LEU A 39 9.560 8.491 -4.012 1.00 1.43 H new ATOM 590 N ALA A 40 5.251 11.560 -4.848 1.00 0.83 N ATOM 591 CA ALA A 40 4.713 12.847 -5.281 1.00 0.94 C ATOM 592 C ALA A 40 3.349 13.159 -4.650 1.00 0.89 C ATOM 593 O ALA A 40 3.022 14.319 -4.418 1.00 1.07 O ATOM 594 CB ALA A 40 4.612 12.861 -6.809 1.00 1.09 C ATOM 0 H ALA A 40 5.541 10.962 -5.622 1.00 0.83 H new ATOM 0 HA ALA A 40 5.396 13.626 -4.943 1.00 0.94 H new ATOM 0 HB1 ALA A 40 4.211 13.819 -7.138 1.00 1.09 H new ATOM 0 HB2 ALA A 40 5.602 12.714 -7.240 1.00 1.09 H new ATOM 0 HB3 ALA A 40 3.951 12.059 -7.137 1.00 1.09 H new ATOM 600 N THR A 41 2.554 12.119 -4.393 1.00 0.76 N ATOM 601 CA THR A 41 1.244 12.197 -3.751 1.00 0.89 C ATOM 602 C THR A 41 1.203 11.347 -2.477 1.00 0.85 C ATOM 603 O THR A 41 0.124 11.072 -1.954 1.00 1.07 O ATOM 604 CB THR A 41 0.206 11.765 -4.793 1.00 1.16 C ATOM 605 OG1 THR A 41 -1.106 11.699 -4.269 1.00 2.20 O ATOM 606 CG2 THR A 41 0.569 10.442 -5.478 1.00 2.04 C ATOM 0 H THR A 41 2.816 11.164 -4.636 1.00 0.76 H new ATOM 0 HA THR A 41 1.024 13.213 -3.423 1.00 0.89 H new ATOM 0 HB THR A 41 0.223 12.551 -5.548 1.00 1.16 H new ATOM 0 HG1 THR A 41 -1.067 11.463 -3.319 1.00 2.20 H new ATOM 0 HG21 THR A 41 -0.201 10.186 -6.205 1.00 2.04 H new ATOM 0 HG22 THR A 41 1.528 10.546 -5.986 1.00 2.04 H new ATOM 0 HG23 THR A 41 0.639 9.652 -4.730 1.00 2.04 H new ATOM 614 N ASN A 42 2.378 10.917 -2.013 1.00 0.75 N ATOM 615 CA ASN A 42 2.613 9.971 -0.922 1.00 0.72 C ATOM 616 C ASN A 42 1.536 8.883 -0.870 1.00 0.67 C ATOM 617 O ASN A 42 0.994 8.608 0.197 1.00 0.68 O ATOM 618 CB ASN A 42 2.739 10.707 0.423 1.00 0.83 C ATOM 619 CG ASN A 42 3.877 11.725 0.442 1.00 1.05 C ATOM 620 OD1 ASN A 42 3.661 12.896 0.152 1.00 2.00 O ATOM 621 ND2 ASN A 42 5.091 11.314 0.808 1.00 1.35 N ATOM 0 H ASN A 42 3.254 11.245 -2.420 1.00 0.75 H new ATOM 0 HA ASN A 42 3.560 9.469 -1.119 1.00 0.72 H new ATOM 0 HB2 ASN A 42 1.800 11.216 0.642 1.00 0.83 H new ATOM 0 HB3 ASN A 42 2.899 9.977 1.217 1.00 0.83 H new ATOM 0 HD21 ASN A 42 5.863 11.979 0.851 1.00 1.35 H new ATOM 0 HD22 ASN A 42 5.248 10.334 1.045 1.00 1.35 H new ATOM 628 N LYS A 43 1.201 8.276 -2.013 1.00 0.70 N ATOM 629 CA LYS A 43 0.052 7.394 -2.141 1.00 0.69 C ATOM 630 C LYS A 43 0.511 6.021 -2.589 1.00 0.61 C ATOM 631 O LYS A 43 1.323 5.929 -3.505 1.00 0.75 O ATOM 632 CB LYS A 43 -0.907 7.985 -3.172 1.00 0.81 C ATOM 633 CG LYS A 43 -2.150 7.125 -3.420 1.00 2.06 C ATOM 634 CD LYS A 43 -2.833 7.607 -4.700 1.00 1.87 C ATOM 635 CE LYS A 43 -3.517 8.968 -4.516 1.00 2.01 C ATOM 636 NZ LYS A 43 -4.451 9.249 -5.621 1.00 2.28 N ATOM 0 H LYS A 43 1.728 8.388 -2.879 1.00 0.70 H new ATOM 0 HA LYS A 43 -0.454 7.299 -1.180 1.00 0.69 H new ATOM 0 HB2 LYS A 43 -1.221 8.974 -2.838 1.00 0.81 H new ATOM 0 HB3 LYS A 43 -0.376 8.120 -4.114 1.00 0.81 H new ATOM 0 HG2 LYS A 43 -1.871 6.075 -3.513 1.00 2.06 H new ATOM 0 HG3 LYS A 43 -2.835 7.199 -2.575 1.00 2.06 H new ATOM 0 HD2 LYS A 43 -2.095 7.679 -5.499 1.00 1.87 H new ATOM 0 HD3 LYS A 43 -3.572 6.870 -5.015 1.00 1.87 H new ATOM 0 HE2 LYS A 43 -4.056 8.982 -3.569 1.00 2.01 H new ATOM 0 HE3 LYS A 43 -2.763 9.753 -4.465 1.00 2.01 H new ATOM 0 HZ1 LYS A 43 -4.848 10.203 -5.506 1.00 2.28 H new ATOM 0 HZ2 LYS A 43 -3.944 9.192 -6.527 1.00 2.28 H new ATOM 0 HZ3 LYS A 43 -5.221 8.550 -5.611 1.00 2.28 H new ATOM 650 N ALA A 44 -0.070 4.982 -1.984 1.00 0.51 N ATOM 651 CA ALA A 44 0.005 3.599 -2.417 1.00 0.53 C ATOM 652 C ALA A 44 -1.358 3.199 -2.975 1.00 0.58 C ATOM 653 O ALA A 44 -2.343 3.202 -2.234 1.00 0.71 O ATOM 654 CB ALA A 44 0.398 2.710 -1.237 1.00 0.56 C ATOM 0 H ALA A 44 -0.630 5.096 -1.139 1.00 0.51 H new ATOM 0 HA ALA A 44 0.762 3.479 -3.192 1.00 0.53 H new ATOM 0 HB1 ALA A 44 0.453 1.672 -1.566 1.00 0.56 H new ATOM 0 HB2 ALA A 44 1.370 3.022 -0.854 1.00 0.56 H new ATOM 0 HB3 ALA A 44 -0.349 2.801 -0.448 1.00 0.56 H new ATOM 660 N HIS A 45 -1.420 2.868 -4.270 1.00 0.56 N ATOM 661 CA HIS A 45 -2.534 2.202 -4.884 1.00 0.57 C ATOM 662 C HIS A 45 -2.160 0.741 -4.748 1.00 0.46 C ATOM 663 O HIS A 45 -1.207 0.298 -5.387 1.00 0.60 O ATOM 664 CB HIS A 45 -2.570 2.675 -6.335 1.00 0.74 C ATOM 665 CG HIS A 45 -3.416 1.914 -7.319 1.00 1.11 C ATOM 666 ND1 HIS A 45 -3.617 2.386 -8.590 1.00 1.75 N ATOM 667 CD2 HIS A 45 -3.781 0.586 -7.305 1.00 1.27 C ATOM 668 CE1 HIS A 45 -4.078 1.374 -9.328 1.00 2.29 C ATOM 669 NE2 HIS A 45 -4.209 0.261 -8.596 1.00 1.99 N ATOM 0 H HIS A 45 -0.664 3.070 -4.925 1.00 0.56 H new ATOM 0 HA HIS A 45 -3.519 2.390 -4.457 1.00 0.57 H new ATOM 0 HB2 HIS A 45 -2.910 3.711 -6.337 1.00 0.74 H new ATOM 0 HB3 HIS A 45 -1.546 2.675 -6.709 1.00 0.74 H new ATOM 0 HD1 HIS A 45 -3.445 3.338 -8.913 1.00 1.75 H new ATOM 0 HD2 HIS A 45 -3.744 -0.080 -6.456 1.00 1.27 H new ATOM 0 HE1 HIS A 45 -4.315 1.444 -10.379 1.00 2.29 H new ATOM 677 N ILE A 46 -2.881 0.010 -3.905 1.00 0.40 N ATOM 678 CA ILE A 46 -2.563 -1.375 -3.609 1.00 0.42 C ATOM 679 C ILE A 46 -3.694 -2.209 -4.184 1.00 0.61 C ATOM 680 O ILE A 46 -4.824 -2.156 -3.694 1.00 1.05 O ATOM 681 CB ILE A 46 -2.355 -1.528 -2.097 1.00 0.59 C ATOM 682 CG1 ILE A 46 -1.094 -0.740 -1.701 1.00 0.81 C ATOM 683 CG2 ILE A 46 -2.154 -2.988 -1.670 1.00 1.10 C ATOM 684 CD1 ILE A 46 -1.139 -0.300 -0.247 1.00 1.38 C ATOM 0 H ILE A 46 -3.700 0.363 -3.410 1.00 0.40 H new ATOM 0 HA ILE A 46 -1.633 -1.718 -4.062 1.00 0.42 H new ATOM 0 HB ILE A 46 -3.251 -1.154 -1.602 1.00 0.59 H new ATOM 0 HG12 ILE A 46 -0.212 -1.358 -1.867 1.00 0.81 H new ATOM 0 HG13 ILE A 46 -0.995 0.135 -2.343 1.00 0.81 H new ATOM 0 HG21 ILE A 46 -2.012 -3.035 -0.590 1.00 1.10 H new ATOM 0 HG22 ILE A 46 -3.032 -3.572 -1.946 1.00 1.10 H new ATOM 0 HG23 ILE A 46 -1.275 -3.396 -2.170 1.00 1.10 H new ATOM 0 HD11 ILE A 46 -0.231 0.253 -0.006 1.00 1.38 H new ATOM 0 HD12 ILE A 46 -2.007 0.340 -0.087 1.00 1.38 H new ATOM 0 HD13 ILE A 46 -1.211 -1.177 0.396 1.00 1.38 H new ATOM 696 N LYS A 47 -3.407 -2.968 -5.242 1.00 0.48 N ATOM 697 CA LYS A 47 -4.397 -3.826 -5.850 1.00 0.58 C ATOM 698 C LYS A 47 -4.427 -5.105 -5.045 1.00 0.64 C ATOM 699 O LYS A 47 -3.935 -6.140 -5.492 1.00 0.67 O ATOM 700 CB LYS A 47 -4.048 -4.067 -7.314 1.00 0.70 C ATOM 701 CG LYS A 47 -4.003 -2.723 -8.041 1.00 0.69 C ATOM 702 CD LYS A 47 -3.971 -2.927 -9.558 1.00 0.95 C ATOM 703 CE LYS A 47 -5.369 -3.054 -10.194 1.00 1.91 C ATOM 704 NZ LYS A 47 -5.990 -4.373 -9.964 1.00 3.24 N ATOM 0 H LYS A 47 -2.491 -2.999 -5.689 1.00 0.48 H new ATOM 0 HA LYS A 47 -5.388 -3.372 -5.842 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -3.085 -4.571 -7.394 1.00 0.70 H new ATOM 0 HB3 LYS A 47 -4.789 -4.720 -7.775 1.00 0.70 H new ATOM 0 HG2 LYS A 47 -4.874 -2.127 -7.768 1.00 0.69 H new ATOM 0 HG3 LYS A 47 -3.122 -2.163 -7.726 1.00 0.69 H new ATOM 0 HD2 LYS A 47 -3.447 -2.089 -10.018 1.00 0.95 H new ATOM 0 HD3 LYS A 47 -3.396 -3.825 -9.783 1.00 0.95 H new ATOM 0 HE2 LYS A 47 -6.018 -2.278 -9.789 1.00 1.91 H new ATOM 0 HE3 LYS A 47 -5.291 -2.877 -11.267 1.00 1.91 H new ATOM 0 HZ1 LYS A 47 -6.669 -4.575 -10.726 1.00 3.24 H new ATOM 0 HZ2 LYS A 47 -5.253 -5.107 -9.954 1.00 3.24 H new ATOM 0 HZ3 LYS A 47 -6.487 -4.368 -9.050 1.00 3.24 H new ATOM 718 N TYR A 48 -4.946 -4.993 -3.824 1.00 1.28 N ATOM 719 CA TYR A 48 -5.157 -6.138 -2.974 1.00 1.29 C ATOM 720 C TYR A 48 -6.546 -6.702 -3.211 1.00 1.33 C ATOM 721 O TYR A 48 -7.490 -5.949 -3.448 1.00 1.58 O ATOM 722 CB TYR A 48 -4.933 -5.789 -1.504 1.00 1.35 C ATOM 723 CG TYR A 48 -5.949 -4.842 -0.893 1.00 1.47 C ATOM 724 CD1 TYR A 48 -7.128 -5.349 -0.316 1.00 1.81 C ATOM 725 CD2 TYR A 48 -5.686 -3.462 -0.828 1.00 2.74 C ATOM 726 CE1 TYR A 48 -7.979 -4.502 0.412 1.00 1.88 C ATOM 727 CE2 TYR A 48 -6.528 -2.616 -0.091 1.00 2.92 C ATOM 728 CZ TYR A 48 -7.656 -3.145 0.555 1.00 1.86 C ATOM 729 OH TYR A 48 -8.464 -2.334 1.287 1.00 2.11 O ATOM 0 H TYR A 48 -5.227 -4.105 -3.407 1.00 1.28 H new ATOM 0 HA TYR A 48 -4.425 -6.904 -3.229 1.00 1.29 H new ATOM 0 HB2 TYR A 48 -4.931 -6.713 -0.926 1.00 1.35 H new ATOM 0 HB3 TYR A 48 -3.942 -5.346 -1.401 1.00 1.35 H new ATOM 0 HD1 TYR A 48 -7.379 -6.393 -0.433 1.00 1.81 H new ATOM 0 HD2 TYR A 48 -4.833 -3.052 -1.347 1.00 2.74 H new ATOM 0 HE1 TYR A 48 -8.880 -4.895 0.860 1.00 1.88 H new ATOM 0 HE2 TYR A 48 -6.309 -1.561 -0.021 1.00 2.92 H new ATOM 0 HH TYR A 48 -8.100 -1.424 1.289 1.00 2.11 H new ATOM 739 N ASP A 49 -6.661 -8.024 -3.139 1.00 1.14 N ATOM 740 CA ASP A 49 -7.922 -8.703 -3.363 1.00 1.14 C ATOM 741 C ASP A 49 -8.799 -8.670 -2.099 1.00 1.07 C ATOM 742 O ASP A 49 -8.478 -9.341 -1.112 1.00 0.91 O ATOM 743 CB ASP A 49 -7.670 -10.133 -3.821 1.00 1.02 C ATOM 744 CG ASP A 49 -8.992 -10.705 -4.290 1.00 2.28 C ATOM 745 OD1 ASP A 49 -9.911 -10.799 -3.447 1.00 3.99 O ATOM 746 OD2 ASP A 49 -9.083 -10.933 -5.514 1.00 2.74 O ATOM 0 H ASP A 49 -5.883 -8.648 -2.924 1.00 1.14 H new ATOM 0 HA ASP A 49 -8.465 -8.179 -4.150 1.00 1.14 H new ATOM 0 HB2 ASP A 49 -6.937 -10.153 -4.627 1.00 1.02 H new ATOM 0 HB3 ASP A 49 -7.263 -10.730 -3.005 1.00 1.02 H new ATOM 751 N PRO A 50 -9.919 -7.929 -2.109 1.00 1.28 N ATOM 752 CA PRO A 50 -10.743 -7.730 -0.932 1.00 1.30 C ATOM 753 C PRO A 50 -11.420 -9.022 -0.467 1.00 1.23 C ATOM 754 O PRO A 50 -11.898 -9.068 0.665 1.00 2.17 O ATOM 755 CB PRO A 50 -11.770 -6.666 -1.332 1.00 1.52 C ATOM 756 CG PRO A 50 -11.936 -6.893 -2.832 1.00 1.55 C ATOM 757 CD PRO A 50 -10.532 -7.306 -3.270 1.00 1.48 C ATOM 0 HA PRO A 50 -10.140 -7.413 -0.081 1.00 1.30 H new ATOM 0 HB2 PRO A 50 -12.712 -6.794 -0.798 1.00 1.52 H new ATOM 0 HB3 PRO A 50 -11.414 -5.659 -1.113 1.00 1.52 H new ATOM 0 HG2 PRO A 50 -12.671 -7.670 -3.045 1.00 1.55 H new ATOM 0 HG3 PRO A 50 -12.270 -5.990 -3.343 1.00 1.55 H new ATOM 0 HD2 PRO A 50 -10.573 -8.000 -4.109 1.00 1.48 H new ATOM 0 HD3 PRO A 50 -9.956 -6.441 -3.599 1.00 1.48 H new ATOM 765 N GLU A 51 -11.485 -10.063 -1.308 1.00 1.01 N ATOM 766 CA GLU A 51 -12.171 -11.297 -0.961 1.00 1.20 C ATOM 767 C GLU A 51 -11.247 -12.238 -0.176 1.00 1.25 C ATOM 768 O GLU A 51 -11.718 -13.264 0.310 1.00 2.15 O ATOM 769 CB GLU A 51 -12.769 -11.926 -2.232 1.00 1.77 C ATOM 770 CG GLU A 51 -13.848 -10.992 -2.810 1.00 3.21 C ATOM 771 CD GLU A 51 -14.370 -11.412 -4.172 1.00 3.94 C ATOM 772 OE1 GLU A 51 -14.274 -12.600 -4.555 1.00 3.71 O ATOM 773 OE2 GLU A 51 -14.895 -10.533 -4.897 1.00 5.20 O ATOM 0 H GLU A 51 -11.065 -10.066 -2.238 1.00 1.01 H new ATOM 0 HA GLU A 51 -13.003 -11.087 -0.289 1.00 1.20 H new ATOM 0 HB2 GLU A 51 -11.985 -12.094 -2.971 1.00 1.77 H new ATOM 0 HB3 GLU A 51 -13.202 -12.899 -2.000 1.00 1.77 H new ATOM 0 HG2 GLU A 51 -14.684 -10.945 -2.112 1.00 3.21 H new ATOM 0 HG3 GLU A 51 -13.438 -9.985 -2.885 1.00 3.21 H new ATOM 780 N ILE A 52 -9.957 -11.895 -0.017 1.00 0.93 N ATOM 781 CA ILE A 52 -9.015 -12.686 0.776 1.00 1.05 C ATOM 782 C ILE A 52 -8.124 -11.857 1.717 1.00 0.96 C ATOM 783 O ILE A 52 -7.692 -12.388 2.737 1.00 1.36 O ATOM 784 CB ILE A 52 -8.185 -13.619 -0.124 1.00 1.40 C ATOM 785 CG1 ILE A 52 -7.604 -12.876 -1.336 1.00 1.99 C ATOM 786 CG2 ILE A 52 -9.033 -14.819 -0.576 1.00 1.91 C ATOM 787 CD1 ILE A 52 -6.523 -13.682 -2.059 1.00 2.88 C ATOM 0 H ILE A 52 -9.544 -11.062 -0.436 1.00 0.93 H new ATOM 0 HA ILE A 52 -9.627 -13.296 1.440 1.00 1.05 H new ATOM 0 HB ILE A 52 -7.344 -13.984 0.465 1.00 1.40 H new ATOM 0 HG12 ILE A 52 -8.408 -12.645 -2.035 1.00 1.99 H new ATOM 0 HG13 ILE A 52 -7.184 -11.925 -1.007 1.00 1.99 H new ATOM 0 HG21 ILE A 52 -8.433 -15.470 -1.212 1.00 1.91 H new ATOM 0 HG22 ILE A 52 -9.370 -15.376 0.298 1.00 1.91 H new ATOM 0 HG23 ILE A 52 -9.898 -14.463 -1.135 1.00 1.91 H new ATOM 0 HD11 ILE A 52 -6.148 -13.109 -2.907 1.00 2.88 H new ATOM 0 HD12 ILE A 52 -5.704 -13.891 -1.371 1.00 2.88 H new ATOM 0 HD13 ILE A 52 -6.946 -14.621 -2.415 1.00 2.88 H new ATOM 799 N ILE A 53 -7.825 -10.591 1.408 1.00 0.69 N ATOM 800 CA ILE A 53 -6.989 -9.725 2.241 1.00 0.64 C ATOM 801 C ILE A 53 -7.722 -8.390 2.399 1.00 0.60 C ATOM 802 O ILE A 53 -8.259 -7.872 1.424 1.00 0.86 O ATOM 803 CB ILE A 53 -5.590 -9.608 1.597 1.00 0.69 C ATOM 804 CG1 ILE A 53 -4.640 -8.695 2.387 1.00 0.86 C ATOM 805 CG2 ILE A 53 -5.645 -9.142 0.138 1.00 0.78 C ATOM 806 CD1 ILE A 53 -3.928 -9.470 3.494 1.00 1.34 C ATOM 0 H ILE A 53 -8.162 -10.134 0.561 1.00 0.69 H new ATOM 0 HA ILE A 53 -6.826 -10.128 3.241 1.00 0.64 H new ATOM 0 HB ILE A 53 -5.191 -10.622 1.623 1.00 0.69 H new ATOM 0 HG12 ILE A 53 -3.903 -8.260 1.712 1.00 0.86 H new ATOM 0 HG13 ILE A 53 -5.202 -7.868 2.821 1.00 0.86 H new ATOM 0 HG21 ILE A 53 -4.633 -9.078 -0.262 1.00 0.78 H new ATOM 0 HG22 ILE A 53 -6.223 -9.855 -0.450 1.00 0.78 H new ATOM 0 HG23 ILE A 53 -6.118 -8.161 0.087 1.00 0.78 H new ATOM 0 HD11 ILE A 53 -3.262 -8.799 4.037 1.00 1.34 H new ATOM 0 HD12 ILE A 53 -4.666 -9.883 4.181 1.00 1.34 H new ATOM 0 HD13 ILE A 53 -3.347 -10.281 3.055 1.00 1.34 H new ATOM 818 N GLY A 54 -7.807 -7.844 3.616 1.00 0.60 N ATOM 819 CA GLY A 54 -8.617 -6.673 3.890 1.00 0.65 C ATOM 820 C GLY A 54 -7.771 -5.410 4.050 1.00 0.58 C ATOM 821 O GLY A 54 -6.539 -5.459 4.119 1.00 0.59 O ATOM 0 H GLY A 54 -7.314 -8.207 4.432 1.00 0.60 H new ATOM 0 HA2 GLY A 54 -9.331 -6.530 3.079 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -9.196 -6.838 4.799 1.00 0.65 H new ATOM 825 N PRO A 55 -8.447 -4.254 4.148 1.00 0.62 N ATOM 826 CA PRO A 55 -7.811 -2.984 4.442 1.00 0.66 C ATOM 827 C PRO A 55 -7.037 -3.061 5.753 1.00 0.67 C ATOM 828 O PRO A 55 -5.936 -2.534 5.835 1.00 0.68 O ATOM 829 CB PRO A 55 -8.937 -1.946 4.519 1.00 0.81 C ATOM 830 CG PRO A 55 -10.201 -2.773 4.747 1.00 0.85 C ATOM 831 CD PRO A 55 -9.887 -4.094 4.047 1.00 0.72 C ATOM 0 HA PRO A 55 -7.088 -2.713 3.673 1.00 0.66 H new ATOM 0 HB2 PRO A 55 -8.772 -1.240 5.333 1.00 0.81 H new ATOM 0 HB3 PRO A 55 -9.004 -1.363 3.600 1.00 0.81 H new ATOM 0 HG2 PRO A 55 -10.401 -2.918 5.809 1.00 0.85 H new ATOM 0 HG3 PRO A 55 -11.080 -2.290 4.320 1.00 0.85 H new ATOM 0 HD2 PRO A 55 -10.408 -4.924 4.523 1.00 0.72 H new ATOM 0 HD3 PRO A 55 -10.207 -4.072 3.005 1.00 0.72 H new ATOM 839 N ARG A 56 -7.604 -3.709 6.776 1.00 0.71 N ATOM 840 CA ARG A 56 -6.933 -3.870 8.057 1.00 0.73 C ATOM 841 C ARG A 56 -5.587 -4.569 7.875 1.00 0.71 C ATOM 842 O ARG A 56 -4.570 -4.072 8.355 1.00 0.66 O ATOM 843 CB ARG A 56 -7.820 -4.637 9.044 1.00 0.84 C ATOM 844 CG ARG A 56 -9.062 -3.821 9.417 1.00 1.95 C ATOM 845 CD ARG A 56 -9.836 -4.520 10.538 1.00 2.46 C ATOM 846 NE ARG A 56 -10.999 -3.720 10.953 1.00 3.90 N ATOM 847 CZ ARG A 56 -11.814 -4.028 11.976 1.00 4.85 C ATOM 848 NH1 ARG A 56 -11.605 -5.149 12.676 1.00 4.75 N ATOM 849 NH2 ARG A 56 -12.829 -3.217 12.292 1.00 6.37 N ATOM 0 H ARG A 56 -8.532 -4.131 6.734 1.00 0.71 H new ATOM 0 HA ARG A 56 -6.747 -2.880 8.473 1.00 0.73 H new ATOM 0 HB2 ARG A 56 -8.124 -5.586 8.603 1.00 0.84 H new ATOM 0 HB3 ARG A 56 -7.251 -4.871 9.944 1.00 0.84 H new ATOM 0 HG2 ARG A 56 -8.767 -2.822 9.737 1.00 1.95 H new ATOM 0 HG3 ARG A 56 -9.703 -3.700 8.543 1.00 1.95 H new ATOM 0 HD2 ARG A 56 -10.167 -5.501 10.199 1.00 2.46 H new ATOM 0 HD3 ARG A 56 -9.179 -4.683 11.392 1.00 2.46 H new ATOM 0 HE ARG A 56 -11.201 -2.870 10.426 1.00 3.90 H new ATOM 0 HH11 ARG A 56 -10.830 -5.765 12.432 1.00 4.75 H new ATOM 0 HH12 ARG A 56 -12.221 -5.387 13.453 1.00 4.75 H new ATOM 0 HH21 ARG A 56 -12.985 -2.363 11.756 1.00 6.37 H new ATOM 0 HH22 ARG A 56 -13.447 -3.452 13.069 1.00 6.37 H new ATOM 863 N ASP A 57 -5.570 -5.711 7.179 1.00 0.78 N ATOM 864 CA ASP A 57 -4.349 -6.469 6.975 1.00 0.76 C ATOM 865 C ASP A 57 -3.308 -5.576 6.303 1.00 0.72 C ATOM 866 O ASP A 57 -2.182 -5.455 6.781 1.00 0.70 O ATOM 867 CB ASP A 57 -4.635 -7.703 6.114 1.00 0.84 C ATOM 868 CG ASP A 57 -5.893 -8.444 6.533 1.00 1.57 C ATOM 869 OD1 ASP A 57 -6.973 -7.910 6.190 1.00 2.58 O ATOM 870 OD2 ASP A 57 -5.761 -9.503 7.176 1.00 2.63 O ATOM 0 H ASP A 57 -6.397 -6.125 6.749 1.00 0.78 H new ATOM 0 HA ASP A 57 -3.962 -6.805 7.937 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -4.731 -7.397 5.072 1.00 0.84 H new ATOM 0 HB3 ASP A 57 -3.785 -8.383 6.170 1.00 0.84 H new ATOM 875 N ILE A 58 -3.702 -4.931 5.201 1.00 0.74 N ATOM 876 CA ILE A 58 -2.852 -3.999 4.472 1.00 0.72 C ATOM 877 C ILE A 58 -2.310 -2.901 5.384 1.00 0.64 C ATOM 878 O ILE A 58 -1.105 -2.648 5.407 1.00 0.63 O ATOM 879 CB ILE A 58 -3.638 -3.434 3.279 1.00 0.76 C ATOM 880 CG1 ILE A 58 -3.816 -4.510 2.199 1.00 0.66 C ATOM 881 CG2 ILE A 58 -3.006 -2.162 2.693 1.00 0.89 C ATOM 882 CD1 ILE A 58 -2.494 -5.009 1.612 1.00 2.09 C ATOM 0 H ILE A 58 -4.629 -5.045 4.790 1.00 0.74 H new ATOM 0 HA ILE A 58 -1.977 -4.527 4.092 1.00 0.72 H new ATOM 0 HB ILE A 58 -4.619 -3.141 3.654 1.00 0.76 H new ATOM 0 HG12 ILE A 58 -4.357 -5.355 2.625 1.00 0.66 H new ATOM 0 HG13 ILE A 58 -4.433 -4.108 1.395 1.00 0.66 H new ATOM 0 HG21 ILE A 58 -3.606 -1.811 1.854 1.00 0.89 H new ATOM 0 HG22 ILE A 58 -2.967 -1.389 3.460 1.00 0.89 H new ATOM 0 HG23 ILE A 58 -1.996 -2.383 2.349 1.00 0.89 H new ATOM 0 HD11 ILE A 58 -2.695 -5.767 0.855 1.00 2.09 H new ATOM 0 HD12 ILE A 58 -1.960 -4.175 1.157 1.00 2.09 H new ATOM 0 HD13 ILE A 58 -1.884 -5.441 2.405 1.00 2.09 H new ATOM 894 N ILE A 59 -3.194 -2.246 6.134 1.00 0.60 N ATOM 895 CA ILE A 59 -2.816 -1.201 7.064 1.00 0.56 C ATOM 896 C ILE A 59 -1.750 -1.743 8.011 1.00 0.55 C ATOM 897 O ILE A 59 -0.653 -1.202 8.062 1.00 0.56 O ATOM 898 CB ILE A 59 -4.063 -0.643 7.776 1.00 0.57 C ATOM 899 CG1 ILE A 59 -4.771 0.346 6.836 1.00 0.63 C ATOM 900 CG2 ILE A 59 -3.747 0.020 9.126 1.00 0.56 C ATOM 901 CD1 ILE A 59 -6.232 0.542 7.237 1.00 0.68 C ATOM 0 H ILE A 59 -4.197 -2.432 6.108 1.00 0.60 H new ATOM 0 HA ILE A 59 -2.375 -0.353 6.540 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.717 -1.484 8.006 1.00 0.57 H new ATOM 0 HG12 ILE A 59 -4.254 1.305 6.857 1.00 0.63 H new ATOM 0 HG13 ILE A 59 -4.719 -0.022 5.811 1.00 0.63 H new ATOM 0 HG21 ILE A 59 -4.669 0.391 9.574 1.00 0.56 H new ATOM 0 HG22 ILE A 59 -3.289 -0.711 9.792 1.00 0.56 H new ATOM 0 HG23 ILE A 59 -3.059 0.851 8.971 1.00 0.56 H new ATOM 0 HD11 ILE A 59 -6.706 1.247 6.553 1.00 0.68 H new ATOM 0 HD12 ILE A 59 -6.753 -0.414 7.191 1.00 0.68 H new ATOM 0 HD13 ILE A 59 -6.281 0.933 8.253 1.00 0.68 H new ATOM 913 N HIS A 60 -2.030 -2.836 8.717 1.00 0.56 N ATOM 914 CA HIS A 60 -1.122 -3.333 9.742 1.00 0.57 C ATOM 915 C HIS A 60 0.194 -3.802 9.127 1.00 0.62 C ATOM 916 O HIS A 60 1.271 -3.601 9.693 1.00 0.63 O ATOM 917 CB HIS A 60 -1.826 -4.398 10.584 1.00 0.70 C ATOM 918 CG HIS A 60 -3.028 -3.830 11.301 1.00 1.16 C ATOM 919 ND1 HIS A 60 -3.106 -2.580 11.876 1.00 2.60 N ATOM 920 CD2 HIS A 60 -4.271 -4.401 11.383 1.00 1.27 C ATOM 921 CE1 HIS A 60 -4.370 -2.410 12.298 1.00 2.89 C ATOM 922 NE2 HIS A 60 -5.120 -3.492 12.024 1.00 1.96 N ATOM 0 H HIS A 60 -2.877 -3.392 8.597 1.00 0.56 H new ATOM 0 HA HIS A 60 -0.852 -2.524 10.421 1.00 0.57 H new ATOM 0 HB2 HIS A 60 -2.139 -5.222 9.943 1.00 0.70 H new ATOM 0 HB3 HIS A 60 -1.127 -4.809 11.312 1.00 0.70 H new ATOM 0 HD1 HIS A 60 -2.344 -1.908 11.965 1.00 2.60 H new ATOM 0 HD2 HIS A 60 -4.547 -5.379 11.018 1.00 1.27 H new ATOM 0 HE1 HIS A 60 -4.735 -1.522 12.792 1.00 2.89 H new ATOM 930 N THR A 61 0.116 -4.373 7.927 1.00 0.68 N ATOM 931 CA THR A 61 1.297 -4.705 7.150 1.00 0.75 C ATOM 932 C THR A 61 2.150 -3.450 6.943 1.00 0.73 C ATOM 933 O THR A 61 3.334 -3.447 7.270 1.00 0.79 O ATOM 934 CB THR A 61 0.870 -5.369 5.834 1.00 0.81 C ATOM 935 OG1 THR A 61 0.211 -6.584 6.121 1.00 0.89 O ATOM 936 CG2 THR A 61 2.056 -5.683 4.919 1.00 0.91 C ATOM 0 H THR A 61 -0.764 -4.615 7.472 1.00 0.68 H new ATOM 0 HA THR A 61 1.920 -5.423 7.684 1.00 0.75 H new ATOM 0 HB THR A 61 0.217 -4.664 5.319 1.00 0.81 H new ATOM 0 HG1 THR A 61 -0.702 -6.397 6.425 1.00 0.89 H new ATOM 0 HG21 THR A 61 1.695 -6.151 4.003 1.00 0.91 H new ATOM 0 HG22 THR A 61 2.580 -4.759 4.672 1.00 0.91 H new ATOM 0 HG23 THR A 61 2.739 -6.362 5.429 1.00 0.91 H new ATOM 944 N ILE A 62 1.572 -2.374 6.406 1.00 0.66 N ATOM 945 CA ILE A 62 2.330 -1.172 6.075 1.00 0.66 C ATOM 946 C ILE A 62 2.790 -0.425 7.336 1.00 0.62 C ATOM 947 O ILE A 62 3.918 0.070 7.369 1.00 0.67 O ATOM 948 CB ILE A 62 1.553 -0.319 5.061 1.00 0.67 C ATOM 949 CG1 ILE A 62 1.449 -1.107 3.744 1.00 0.75 C ATOM 950 CG2 ILE A 62 2.261 1.020 4.820 1.00 0.72 C ATOM 951 CD1 ILE A 62 0.482 -0.467 2.754 1.00 1.29 C ATOM 0 H ILE A 62 0.577 -2.313 6.191 1.00 0.66 H new ATOM 0 HA ILE A 62 3.259 -1.451 5.579 1.00 0.66 H new ATOM 0 HB ILE A 62 0.558 -0.104 5.451 1.00 0.67 H new ATOM 0 HG12 ILE A 62 2.437 -1.178 3.288 1.00 0.75 H new ATOM 0 HG13 ILE A 62 1.123 -2.125 3.958 1.00 0.75 H new ATOM 0 HG21 ILE A 62 1.693 1.607 4.099 1.00 0.72 H new ATOM 0 HG22 ILE A 62 2.332 1.569 5.759 1.00 0.72 H new ATOM 0 HG23 ILE A 62 3.263 0.837 4.431 1.00 0.72 H new ATOM 0 HD11 ILE A 62 0.447 -1.063 1.842 1.00 1.29 H new ATOM 0 HD12 ILE A 62 -0.513 -0.421 3.196 1.00 1.29 H new ATOM 0 HD13 ILE A 62 0.820 0.541 2.515 1.00 1.29 H new ATOM 963 N GLU A 63 1.980 -0.404 8.398 1.00 0.57 N ATOM 964 CA GLU A 63 2.423 0.017 9.722 1.00 0.62 C ATOM 965 C GLU A 63 3.702 -0.743 10.083 1.00 0.70 C ATOM 966 O GLU A 63 4.709 -0.132 10.436 1.00 0.76 O ATOM 967 CB GLU A 63 1.309 -0.201 10.758 1.00 0.69 C ATOM 968 CG GLU A 63 0.135 0.768 10.541 1.00 1.10 C ATOM 969 CD GLU A 63 -1.083 0.470 11.413 1.00 1.86 C ATOM 970 OE1 GLU A 63 -1.179 -0.664 11.936 1.00 2.71 O ATOM 971 OE2 GLU A 63 -1.928 1.382 11.523 1.00 2.74 O ATOM 0 H GLU A 63 0.999 -0.679 8.360 1.00 0.57 H new ATOM 0 HA GLU A 63 2.645 1.084 9.720 1.00 0.62 H new ATOM 0 HB2 GLU A 63 0.950 -1.228 10.696 1.00 0.69 H new ATOM 0 HB3 GLU A 63 1.713 -0.065 11.761 1.00 0.69 H new ATOM 0 HG2 GLU A 63 0.474 1.784 10.742 1.00 1.10 H new ATOM 0 HG3 GLU A 63 -0.163 0.733 9.493 1.00 1.10 H new ATOM 978 N SER A 64 3.706 -2.070 9.910 1.00 0.74 N ATOM 979 CA SER A 64 4.895 -2.880 10.144 1.00 0.83 C ATOM 980 C SER A 64 6.053 -2.579 9.176 1.00 1.07 C ATOM 981 O SER A 64 7.168 -3.024 9.445 1.00 1.55 O ATOM 982 CB SER A 64 4.547 -4.374 10.137 1.00 0.84 C ATOM 983 OG SER A 64 5.644 -5.122 10.629 1.00 1.81 O ATOM 0 H SER A 64 2.891 -2.603 9.607 1.00 0.74 H new ATOM 0 HA SER A 64 5.257 -2.602 11.134 1.00 0.83 H new ATOM 0 HB2 SER A 64 3.666 -4.555 10.753 1.00 0.84 H new ATOM 0 HB3 SER A 64 4.300 -4.695 9.125 1.00 0.84 H new ATOM 0 HG SER A 64 6.481 -4.686 10.366 1.00 1.81 H new ATOM 989 N LEU A 65 5.831 -1.860 8.067 1.00 0.86 N ATOM 990 CA LEU A 65 6.905 -1.357 7.211 1.00 0.98 C ATOM 991 C LEU A 65 7.396 0.018 7.682 1.00 0.98 C ATOM 992 O LEU A 65 8.426 0.489 7.193 1.00 1.25 O ATOM 993 CB LEU A 65 6.477 -1.292 5.735 1.00 1.04 C ATOM 994 CG LEU A 65 5.999 -2.626 5.141 1.00 1.11 C ATOM 995 CD1 LEU A 65 5.672 -2.426 3.656 1.00 1.33 C ATOM 996 CD2 LEU A 65 7.030 -3.750 5.286 1.00 1.22 C ATOM 0 H LEU A 65 4.897 -1.612 7.741 1.00 0.86 H new ATOM 0 HA LEU A 65 7.730 -2.065 7.291 1.00 0.98 H new ATOM 0 HB2 LEU A 65 5.676 -0.559 5.636 1.00 1.04 H new ATOM 0 HB3 LEU A 65 7.317 -0.928 5.144 1.00 1.04 H new ATOM 0 HG LEU A 65 5.114 -2.930 5.700 1.00 1.11 H new ATOM 0 HD11 LEU A 65 5.332 -3.369 3.228 1.00 1.33 H new ATOM 0 HD12 LEU A 65 4.886 -1.677 3.554 1.00 1.33 H new ATOM 0 HD13 LEU A 65 6.565 -2.089 3.129 1.00 1.33 H new ATOM 0 HD21 LEU A 65 6.634 -4.666 4.848 1.00 1.22 H new ATOM 0 HD22 LEU A 65 7.949 -3.469 4.771 1.00 1.22 H new ATOM 0 HD23 LEU A 65 7.242 -3.915 6.342 1.00 1.22 H new ATOM 1008 N GLY A 66 6.694 0.652 8.626 1.00 0.81 N ATOM 1009 CA GLY A 66 7.088 1.910 9.235 1.00 0.84 C ATOM 1010 C GLY A 66 6.592 3.112 8.437 1.00 0.79 C ATOM 1011 O GLY A 66 7.323 4.090 8.294 1.00 0.90 O ATOM 0 H GLY A 66 5.814 0.289 8.992 1.00 0.81 H new ATOM 0 HA2 GLY A 66 6.693 1.961 10.250 1.00 0.84 H new ATOM 0 HA3 GLY A 66 8.174 1.950 9.313 1.00 0.84 H new ATOM 1015 N PHE A 67 5.347 3.055 7.949 1.00 0.67 N ATOM 1016 CA PHE A 67 4.670 4.176 7.306 1.00 0.64 C ATOM 1017 C PHE A 67 3.242 4.245 7.845 1.00 0.57 C ATOM 1018 O PHE A 67 2.794 3.293 8.478 1.00 0.62 O ATOM 1019 CB PHE A 67 4.673 3.980 5.783 1.00 0.68 C ATOM 1020 CG PHE A 67 6.035 3.696 5.181 1.00 0.64 C ATOM 1021 CD1 PHE A 67 7.063 4.650 5.292 1.00 1.50 C ATOM 1022 CD2 PHE A 67 6.293 2.466 4.547 1.00 2.06 C ATOM 1023 CE1 PHE A 67 8.332 4.388 4.748 1.00 1.51 C ATOM 1024 CE2 PHE A 67 7.558 2.209 3.992 1.00 2.06 C ATOM 1025 CZ PHE A 67 8.574 3.178 4.079 1.00 0.66 C ATOM 0 H PHE A 67 4.776 2.211 7.993 1.00 0.67 H new ATOM 0 HA PHE A 67 5.185 5.111 7.524 1.00 0.64 H new ATOM 0 HB2 PHE A 67 4.003 3.156 5.536 1.00 0.68 H new ATOM 0 HB3 PHE A 67 4.264 4.875 5.315 1.00 0.68 H new ATOM 0 HD1 PHE A 67 6.876 5.586 5.797 1.00 1.50 H new ATOM 0 HD2 PHE A 67 5.517 1.718 4.487 1.00 2.06 H new ATOM 0 HE1 PHE A 67 9.122 5.118 4.845 1.00 1.51 H new ATOM 0 HE2 PHE A 67 7.750 1.268 3.499 1.00 2.06 H new ATOM 0 HZ PHE A 67 9.539 2.991 3.632 1.00 0.66 H new ATOM 1035 N GLU A 68 2.529 5.345 7.586 1.00 0.59 N ATOM 1036 CA GLU A 68 1.165 5.572 8.047 1.00 0.51 C ATOM 1037 C GLU A 68 0.166 5.415 6.885 1.00 0.50 C ATOM 1038 O GLU A 68 -0.054 6.390 6.165 1.00 0.56 O ATOM 1039 CB GLU A 68 1.073 7.015 8.534 1.00 0.62 C ATOM 1040 CG GLU A 68 1.883 7.397 9.774 1.00 1.00 C ATOM 1041 CD GLU A 68 1.721 8.886 10.084 1.00 1.65 C ATOM 1042 OE1 GLU A 68 0.835 9.517 9.457 1.00 2.13 O ATOM 1043 OE2 GLU A 68 2.491 9.378 10.930 1.00 2.65 O ATOM 0 H GLU A 68 2.898 6.120 7.035 1.00 0.59 H new ATOM 0 HA GLU A 68 0.928 4.853 8.832 1.00 0.51 H new ATOM 0 HB2 GLU A 68 1.383 7.666 7.717 1.00 0.62 H new ATOM 0 HB3 GLU A 68 0.025 7.235 8.737 1.00 0.62 H new ATOM 0 HG2 GLU A 68 1.553 6.804 10.627 1.00 1.00 H new ATOM 0 HG3 GLU A 68 2.936 7.166 9.613 1.00 1.00 H new ATOM 1050 N PRO A 69 -0.447 4.239 6.677 1.00 0.51 N ATOM 1051 CA PRO A 69 -1.343 3.982 5.554 1.00 0.56 C ATOM 1052 C PRO A 69 -2.756 4.535 5.798 1.00 0.68 C ATOM 1053 O PRO A 69 -3.675 3.792 6.137 1.00 1.13 O ATOM 1054 CB PRO A 69 -1.340 2.456 5.409 1.00 0.56 C ATOM 1055 CG PRO A 69 -1.119 1.969 6.833 1.00 0.58 C ATOM 1056 CD PRO A 69 -0.194 3.020 7.426 1.00 0.55 C ATOM 0 HA PRO A 69 -1.012 4.483 4.645 1.00 0.56 H new ATOM 0 HB2 PRO A 69 -2.281 2.089 5.000 1.00 0.56 H new ATOM 0 HB3 PRO A 69 -0.548 2.117 4.741 1.00 0.56 H new ATOM 0 HG2 PRO A 69 -2.057 1.902 7.385 1.00 0.58 H new ATOM 0 HG3 PRO A 69 -0.666 0.978 6.853 1.00 0.58 H new ATOM 0 HD2 PRO A 69 -0.396 3.164 8.487 1.00 0.55 H new ATOM 0 HD3 PRO A 69 0.849 2.717 7.338 1.00 0.55 H new ATOM 1064 N SER A 70 -2.962 5.838 5.590 1.00 0.65 N ATOM 1065 CA SER A 70 -4.276 6.453 5.766 1.00 0.77 C ATOM 1066 C SER A 70 -5.154 6.268 4.517 1.00 0.70 C ATOM 1067 O SER A 70 -4.786 6.713 3.432 1.00 0.68 O ATOM 1068 CB SER A 70 -4.108 7.925 6.168 1.00 0.98 C ATOM 1069 OG SER A 70 -3.371 8.683 5.223 1.00 1.83 O ATOM 0 H SER A 70 -2.232 6.488 5.299 1.00 0.65 H new ATOM 0 HA SER A 70 -4.804 5.949 6.575 1.00 0.77 H new ATOM 0 HB2 SER A 70 -5.093 8.374 6.296 1.00 0.98 H new ATOM 0 HB3 SER A 70 -3.607 7.976 7.135 1.00 0.98 H new ATOM 0 HG SER A 70 -2.792 8.086 4.705 1.00 1.83 H new ATOM 1075 N LEU A 71 -6.326 5.635 4.645 1.00 0.74 N ATOM 1076 CA LEU A 71 -7.276 5.440 3.545 1.00 0.76 C ATOM 1077 C LEU A 71 -7.939 6.762 3.133 1.00 0.83 C ATOM 1078 O LEU A 71 -9.118 6.978 3.401 1.00 1.21 O ATOM 1079 CB LEU A 71 -8.342 4.406 3.950 1.00 1.00 C ATOM 1080 CG LEU A 71 -7.825 2.960 3.967 1.00 1.79 C ATOM 1081 CD1 LEU A 71 -8.785 2.096 4.792 1.00 1.95 C ATOM 1082 CD2 LEU A 71 -7.756 2.379 2.547 1.00 3.43 C ATOM 0 H LEU A 71 -6.645 5.238 5.529 1.00 0.74 H new ATOM 0 HA LEU A 71 -6.724 5.067 2.682 1.00 0.76 H new ATOM 0 HB2 LEU A 71 -8.722 4.658 4.940 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -9.182 4.474 3.259 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.825 2.961 4.400 1.00 1.79 H new ATOM 0 HD11 LEU A 71 -8.425 1.067 4.809 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -8.836 2.480 5.811 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -9.778 2.126 4.343 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -7.387 1.354 2.591 1.00 3.43 H new ATOM 0 HD22 LEU A 71 -8.751 2.387 2.102 1.00 3.43 H new ATOM 0 HD23 LEU A 71 -7.081 2.982 1.939 1.00 3.43 H new ATOM 1094 N VAL A 72 -7.188 7.645 2.472 1.00 1.01 N ATOM 1095 CA VAL A 72 -7.681 8.953 2.047 1.00 1.21 C ATOM 1096 C VAL A 72 -8.383 8.892 0.684 1.00 1.13 C ATOM 1097 O VAL A 72 -9.322 9.655 0.465 1.00 1.78 O ATOM 1098 CB VAL A 72 -6.537 9.984 2.071 1.00 1.79 C ATOM 1099 CG1 VAL A 72 -7.006 11.384 1.648 1.00 2.45 C ATOM 1100 CG2 VAL A 72 -5.942 10.106 3.480 1.00 2.66 C ATOM 0 H VAL A 72 -6.216 7.470 2.216 1.00 1.01 H new ATOM 0 HA VAL A 72 -8.441 9.277 2.757 1.00 1.21 H new ATOM 0 HB VAL A 72 -5.792 9.621 1.363 1.00 1.79 H new ATOM 0 HG11 VAL A 72 -6.164 12.075 1.681 1.00 2.45 H new ATOM 0 HG12 VAL A 72 -7.403 11.344 0.634 1.00 2.45 H new ATOM 0 HG13 VAL A 72 -7.785 11.728 2.329 1.00 2.45 H new ATOM 0 HG21 VAL A 72 -5.136 10.840 3.472 1.00 2.66 H new ATOM 0 HG22 VAL A 72 -6.717 10.426 4.176 1.00 2.66 H new ATOM 0 HG23 VAL A 72 -5.549 9.139 3.794 1.00 2.66 H new