USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 34 TYR OH : rot -146:sc= 1.19 USER MOD Set 1.2: A 36 SER OG : rot -5:sc= 1.28 USER MOD Set 1.3: A 45 HIS : no HD1:sc= -1.29 X(o=1.2,f=1.1) USER MOD Set 2.1: A 20 HIS : no HD1:sc= 0.643 K(o=1.9,f=-4.5!) USER MOD Set 2.2: A 24 SER OG : rot 172:sc= 1.3 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.877 USER MOD Set 3.2: A 17 SER OG : rot -77:sc= 1.32 USER MOD Single : A 13 MET CE :methyl 177:sc= -0.518 (180deg=-0.538) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.627) USER MOD Single : A 25 SER OG : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot 44:sc= 0.54 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0339) USER MOD Single : A 29 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-9.2!) USER MOD Single : A 35 CYS SG : rot 60:sc= -1.47 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.339 K(o=-0.34,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ -104:sc= 0.914 (180deg=-3.85!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -23:sc= 0.799 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.364 -4.322 2.917 1.00 1.26 N ATOM 47 CA VAL A 5 8.270 -3.465 2.499 1.00 1.35 C ATOM 48 C VAL A 5 8.589 -2.951 1.104 1.00 1.36 C ATOM 49 O VAL A 5 9.758 -2.782 0.764 1.00 1.62 O ATOM 50 CB VAL A 5 8.011 -2.310 3.487 1.00 1.96 C ATOM 51 CG1 VAL A 5 7.617 -2.839 4.865 1.00 1.95 C ATOM 52 CG2 VAL A 5 9.202 -1.360 3.654 1.00 2.77 C ATOM 0 HA VAL A 5 7.345 -4.042 2.486 1.00 1.35 H new ATOM 0 HB VAL A 5 7.191 -1.743 3.046 1.00 1.96 H new ATOM 0 HG11 VAL A 5 7.441 -2.001 5.540 1.00 1.95 H new ATOM 0 HG12 VAL A 5 6.708 -3.434 4.780 1.00 1.95 H new ATOM 0 HG13 VAL A 5 8.421 -3.460 5.260 1.00 1.95 H new ATOM 0 HG21 VAL A 5 8.944 -0.574 4.364 1.00 2.77 H new ATOM 0 HG22 VAL A 5 10.062 -1.917 4.026 1.00 2.77 H new ATOM 0 HG23 VAL A 5 9.448 -0.912 2.691 1.00 2.77 H new ATOM 62 N LEU A 6 7.546 -2.705 0.313 1.00 1.37 N ATOM 63 CA LEU A 6 7.627 -1.956 -0.927 1.00 1.45 C ATOM 64 C LEU A 6 6.784 -0.715 -0.676 1.00 1.50 C ATOM 65 O LEU A 6 5.568 -0.748 -0.860 1.00 2.14 O ATOM 66 CB LEU A 6 7.120 -2.832 -2.085 1.00 1.55 C ATOM 67 CG LEU A 6 7.247 -2.249 -3.505 1.00 1.69 C ATOM 68 CD1 LEU A 6 6.231 -1.145 -3.816 1.00 2.49 C ATOM 69 CD2 LEU A 6 8.667 -1.760 -3.813 1.00 2.54 C ATOM 0 H LEU A 6 6.603 -3.031 0.526 1.00 1.37 H new ATOM 0 HA LEU A 6 8.638 -1.666 -1.214 1.00 1.45 H new ATOM 0 HB2 LEU A 6 7.660 -3.778 -2.057 1.00 1.55 H new ATOM 0 HB3 LEU A 6 6.069 -3.059 -1.904 1.00 1.55 H new ATOM 0 HG LEU A 6 7.018 -3.088 -4.162 1.00 1.69 H new ATOM 0 HD11 LEU A 6 6.384 -0.786 -4.834 1.00 2.49 H new ATOM 0 HD12 LEU A 6 5.221 -1.543 -3.720 1.00 2.49 H new ATOM 0 HD13 LEU A 6 6.364 -0.320 -3.116 1.00 2.49 H new ATOM 0 HD21 LEU A 6 8.702 -1.359 -4.826 1.00 2.54 H new ATOM 0 HD22 LEU A 6 8.945 -0.980 -3.104 1.00 2.54 H new ATOM 0 HD23 LEU A 6 9.365 -2.593 -3.729 1.00 2.54 H new ATOM 81 N GLU A 7 7.405 0.350 -0.165 1.00 0.88 N ATOM 82 CA GLU A 7 6.678 1.581 0.067 1.00 0.81 C ATOM 83 C GLU A 7 6.323 2.223 -1.271 1.00 0.80 C ATOM 84 O GLU A 7 7.102 2.157 -2.224 1.00 1.05 O ATOM 85 CB GLU A 7 7.477 2.567 0.918 1.00 0.80 C ATOM 86 CG GLU A 7 7.990 2.000 2.242 1.00 0.85 C ATOM 87 CD GLU A 7 8.394 3.160 3.135 1.00 1.14 C ATOM 88 OE1 GLU A 7 9.208 3.997 2.683 1.00 1.99 O ATOM 89 OE2 GLU A 7 7.784 3.343 4.213 1.00 2.24 O ATOM 0 H GLU A 7 8.392 0.378 0.089 1.00 0.88 H new ATOM 0 HA GLU A 7 5.770 1.333 0.617 1.00 0.81 H new ATOM 0 HB2 GLU A 7 8.328 2.921 0.336 1.00 0.80 H new ATOM 0 HB3 GLU A 7 6.851 3.434 1.128 1.00 0.80 H new ATOM 0 HG2 GLU A 7 7.216 1.402 2.724 1.00 0.85 H new ATOM 0 HG3 GLU A 7 8.841 1.341 2.068 1.00 0.85 H new ATOM 96 N LEU A 8 5.166 2.878 -1.329 1.00 0.70 N ATOM 97 CA LEU A 8 4.713 3.572 -2.522 1.00 0.71 C ATOM 98 C LEU A 8 3.849 4.762 -2.102 1.00 0.75 C ATOM 99 O LEU A 8 3.107 4.679 -1.123 1.00 0.79 O ATOM 100 CB LEU A 8 4.068 2.588 -3.523 1.00 0.76 C ATOM 101 CG LEU A 8 2.697 1.999 -3.157 1.00 1.11 C ATOM 102 CD1 LEU A 8 2.398 0.849 -4.121 1.00 2.17 C ATOM 103 CD2 LEU A 8 2.590 1.427 -1.749 1.00 1.86 C ATOM 0 H LEU A 8 4.517 2.940 -0.545 1.00 0.70 H new ATOM 0 HA LEU A 8 5.549 3.992 -3.081 1.00 0.71 H new ATOM 0 HB2 LEU A 8 3.969 3.099 -4.481 1.00 0.76 H new ATOM 0 HB3 LEU A 8 4.760 1.760 -3.674 1.00 0.76 H new ATOM 0 HG LEU A 8 1.996 2.831 -3.220 1.00 1.11 H new ATOM 0 HD11 LEU A 8 1.428 0.415 -3.880 1.00 2.17 H new ATOM 0 HD12 LEU A 8 2.383 1.226 -5.144 1.00 2.17 H new ATOM 0 HD13 LEU A 8 3.170 0.086 -4.027 1.00 2.17 H new ATOM 0 HD21 LEU A 8 1.585 1.037 -1.590 1.00 1.86 H new ATOM 0 HD22 LEU A 8 3.315 0.622 -1.627 1.00 1.86 H new ATOM 0 HD23 LEU A 8 2.794 2.212 -1.021 1.00 1.86 H new ATOM 115 N VAL A 9 4.020 5.896 -2.785 1.00 0.85 N ATOM 116 CA VAL A 9 3.320 7.139 -2.500 1.00 0.83 C ATOM 117 C VAL A 9 2.095 7.196 -3.402 1.00 0.88 C ATOM 118 O VAL A 9 2.211 6.924 -4.594 1.00 1.04 O ATOM 119 CB VAL A 9 4.283 8.330 -2.633 1.00 0.87 C ATOM 120 CG1 VAL A 9 3.560 9.678 -2.693 1.00 1.10 C ATOM 121 CG2 VAL A 9 5.195 8.367 -1.398 1.00 0.92 C ATOM 0 H VAL A 9 4.667 5.971 -3.570 1.00 0.85 H new ATOM 0 HA VAL A 9 2.964 7.189 -1.471 1.00 0.83 H new ATOM 0 HB VAL A 9 4.834 8.188 -3.563 1.00 0.87 H new ATOM 0 HG11 VAL A 9 4.292 10.480 -2.787 1.00 1.10 H new ATOM 0 HG12 VAL A 9 2.892 9.694 -3.554 1.00 1.10 H new ATOM 0 HG13 VAL A 9 2.980 9.821 -1.781 1.00 1.10 H new ATOM 0 HG21 VAL A 9 5.884 9.208 -1.479 1.00 0.92 H new ATOM 0 HG22 VAL A 9 4.587 8.481 -0.500 1.00 0.92 H new ATOM 0 HG23 VAL A 9 5.762 7.438 -1.336 1.00 0.92 H new ATOM 131 N VAL A 10 0.928 7.465 -2.812 1.00 0.86 N ATOM 132 CA VAL A 10 -0.386 7.187 -3.381 1.00 0.83 C ATOM 133 C VAL A 10 -1.282 8.417 -3.249 1.00 1.06 C ATOM 134 O VAL A 10 -2.196 8.482 -2.425 1.00 1.86 O ATOM 135 CB VAL A 10 -0.987 5.921 -2.747 1.00 0.73 C ATOM 136 CG1 VAL A 10 -0.438 4.663 -3.410 1.00 1.26 C ATOM 137 CG2 VAL A 10 -0.648 5.821 -1.269 1.00 0.99 C ATOM 0 H VAL A 10 0.874 7.899 -1.890 1.00 0.86 H new ATOM 0 HA VAL A 10 -0.294 6.980 -4.447 1.00 0.83 H new ATOM 0 HB VAL A 10 -2.065 5.996 -2.886 1.00 0.73 H new ATOM 0 HG11 VAL A 10 -0.880 3.783 -2.942 1.00 1.26 H new ATOM 0 HG12 VAL A 10 -0.686 4.673 -4.471 1.00 1.26 H new ATOM 0 HG13 VAL A 10 0.645 4.632 -3.291 1.00 1.26 H new ATOM 0 HG21 VAL A 10 -1.089 4.914 -0.855 1.00 0.99 H new ATOM 0 HG22 VAL A 10 0.434 5.787 -1.145 1.00 0.99 H new ATOM 0 HG23 VAL A 10 -1.046 6.690 -0.745 1.00 0.99 H new ATOM 147 N ARG A 11 -1.018 9.415 -4.088 1.00 0.75 N ATOM 148 CA ARG A 11 -1.841 10.617 -4.149 1.00 0.84 C ATOM 149 C ARG A 11 -3.225 10.240 -4.684 1.00 0.82 C ATOM 150 O ARG A 11 -3.381 9.215 -5.350 1.00 0.95 O ATOM 151 CB ARG A 11 -1.146 11.770 -4.903 1.00 1.18 C ATOM 152 CG ARG A 11 -0.452 11.298 -6.179 1.00 1.52 C ATOM 153 CD ARG A 11 0.060 12.421 -7.080 1.00 2.10 C ATOM 154 NE ARG A 11 0.749 11.826 -8.236 1.00 3.10 N ATOM 155 CZ ARG A 11 1.342 12.471 -9.247 1.00 3.83 C ATOM 156 NH1 ARG A 11 1.328 13.807 -9.298 1.00 4.08 N ATOM 157 NH2 ARG A 11 1.941 11.750 -10.195 1.00 5.04 N ATOM 0 H ARG A 11 -0.233 9.413 -4.740 1.00 0.75 H new ATOM 0 HA ARG A 11 -1.980 11.024 -3.147 1.00 0.84 H new ATOM 0 HB2 ARG A 11 -1.883 12.532 -5.155 1.00 1.18 H new ATOM 0 HB3 ARG A 11 -0.413 12.240 -4.247 1.00 1.18 H new ATOM 0 HG2 ARG A 11 0.388 10.659 -5.905 1.00 1.52 H new ATOM 0 HG3 ARG A 11 -1.148 10.682 -6.749 1.00 1.52 H new ATOM 0 HD2 ARG A 11 -0.770 13.044 -7.415 1.00 2.10 H new ATOM 0 HD3 ARG A 11 0.741 13.068 -6.527 1.00 2.10 H new ATOM 0 HE ARG A 11 0.778 10.807 -8.270 1.00 3.10 H new ATOM 0 HH11 ARG A 11 0.863 14.341 -8.563 1.00 4.08 H new ATOM 0 HH12 ARG A 11 1.782 14.293 -10.072 1.00 4.08 H new ATOM 0 HH21 ARG A 11 1.940 10.732 -10.138 1.00 5.04 H new ATOM 0 HH22 ARG A 11 2.401 12.217 -10.977 1.00 5.04 H new ATOM 171 N GLY A 12 -4.235 11.030 -4.304 1.00 0.94 N ATOM 172 CA GLY A 12 -5.645 10.674 -4.407 1.00 0.98 C ATOM 173 C GLY A 12 -6.247 10.546 -3.005 1.00 0.86 C ATOM 174 O GLY A 12 -7.431 10.807 -2.802 1.00 0.98 O ATOM 0 H GLY A 12 -4.085 11.957 -3.907 1.00 0.94 H new ATOM 0 HA2 GLY A 12 -6.181 11.433 -4.976 1.00 0.98 H new ATOM 0 HA3 GLY A 12 -5.754 9.734 -4.948 1.00 0.98 H new ATOM 178 N MET A 13 -5.429 10.163 -2.017 1.00 0.81 N ATOM 179 CA MET A 13 -5.806 10.277 -0.616 1.00 0.78 C ATOM 180 C MET A 13 -6.174 11.733 -0.305 1.00 1.05 C ATOM 181 O MET A 13 -5.570 12.650 -0.858 1.00 1.97 O ATOM 182 CB MET A 13 -4.650 9.823 0.276 1.00 0.94 C ATOM 183 CG MET A 13 -4.369 8.319 0.198 1.00 0.93 C ATOM 184 SD MET A 13 -2.737 7.826 0.804 1.00 1.44 S ATOM 185 CE MET A 13 -2.698 8.623 2.416 1.00 1.60 C ATOM 0 H MET A 13 -4.500 9.771 -2.170 1.00 0.81 H new ATOM 0 HA MET A 13 -6.668 9.639 -0.420 1.00 0.78 H new ATOM 0 HB2 MET A 13 -3.749 10.368 -0.006 1.00 0.94 H new ATOM 0 HB3 MET A 13 -4.873 10.089 1.309 1.00 0.94 H new ATOM 0 HG2 MET A 13 -5.130 7.790 0.772 1.00 0.93 H new ATOM 0 HG3 MET A 13 -4.470 7.997 -0.838 1.00 0.93 H new ATOM 0 HE1 MET A 13 -1.772 8.363 2.928 1.00 1.60 H new ATOM 0 HE2 MET A 13 -2.751 9.704 2.289 1.00 1.60 H new ATOM 0 HE3 MET A 13 -3.548 8.286 3.009 1.00 1.60 H new ATOM 195 N THR A 14 -7.159 11.944 0.573 1.00 1.07 N ATOM 196 CA THR A 14 -7.617 13.277 0.948 1.00 1.34 C ATOM 197 C THR A 14 -8.492 13.189 2.201 1.00 1.39 C ATOM 198 O THR A 14 -8.160 13.772 3.231 1.00 2.34 O ATOM 199 CB THR A 14 -8.290 13.993 -0.245 1.00 1.66 C ATOM 200 OG1 THR A 14 -8.790 15.251 0.151 1.00 2.37 O ATOM 201 CG2 THR A 14 -9.431 13.211 -0.910 1.00 1.61 C ATOM 0 H THR A 14 -7.660 11.190 1.043 1.00 1.07 H new ATOM 0 HA THR A 14 -6.763 13.903 1.207 1.00 1.34 H new ATOM 0 HB THR A 14 -7.497 14.090 -0.986 1.00 1.66 H new ATOM 0 HG1 THR A 14 -9.211 15.692 -0.616 1.00 2.37 H new ATOM 0 HG21 THR A 14 -9.839 13.794 -1.735 1.00 1.61 H new ATOM 0 HG22 THR A 14 -9.050 12.263 -1.290 1.00 1.61 H new ATOM 0 HG23 THR A 14 -10.216 13.019 -0.178 1.00 1.61 H new ATOM 209 N CYS A 15 -9.589 12.430 2.141 1.00 1.40 N ATOM 210 CA CYS A 15 -10.462 12.230 3.289 1.00 1.77 C ATOM 211 C CYS A 15 -9.813 11.225 4.237 1.00 1.38 C ATOM 212 O CYS A 15 -9.144 10.305 3.772 1.00 1.87 O ATOM 213 CB CYS A 15 -11.817 11.697 2.821 1.00 2.39 C ATOM 214 SG CYS A 15 -12.888 11.508 4.267 1.00 3.49 S ATOM 0 H CYS A 15 -9.892 11.942 1.298 1.00 1.40 H new ATOM 0 HA CYS A 15 -10.613 13.178 3.805 1.00 1.77 H new ATOM 0 HB2 CYS A 15 -12.267 12.383 2.103 1.00 2.39 H new ATOM 0 HB3 CYS A 15 -11.693 10.740 2.313 1.00 2.39 H new ATOM 0 HG CYS A 15 -14.048 11.057 3.892 1.00 3.49 H new ATOM 220 N ALA A 16 -10.023 11.364 5.549 1.00 1.10 N ATOM 221 CA ALA A 16 -9.555 10.404 6.544 1.00 0.95 C ATOM 222 C ALA A 16 -9.841 8.958 6.119 1.00 0.94 C ATOM 223 O ALA A 16 -8.972 8.098 6.236 1.00 1.89 O ATOM 224 CB ALA A 16 -10.204 10.712 7.895 1.00 1.14 C ATOM 0 H ALA A 16 -10.528 12.154 5.951 1.00 1.10 H new ATOM 0 HA ALA A 16 -8.473 10.501 6.632 1.00 0.95 H new ATOM 0 HB1 ALA A 16 -9.855 9.995 8.638 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -9.933 11.720 8.208 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -11.288 10.640 7.803 1.00 1.14 H new ATOM 230 N SER A 17 -11.042 8.694 5.591 1.00 0.59 N ATOM 231 CA SER A 17 -11.426 7.380 5.088 1.00 0.49 C ATOM 232 C SER A 17 -10.357 6.798 4.164 1.00 0.43 C ATOM 233 O SER A 17 -10.049 5.614 4.262 1.00 0.52 O ATOM 234 CB SER A 17 -12.775 7.475 4.371 1.00 0.75 C ATOM 235 OG SER A 17 -12.747 8.473 3.367 1.00 2.08 O ATOM 0 H SER A 17 -11.777 9.396 5.502 1.00 0.59 H new ATOM 0 HA SER A 17 -11.521 6.702 5.936 1.00 0.49 H new ATOM 0 HB2 SER A 17 -13.022 6.512 3.925 1.00 0.75 H new ATOM 0 HB3 SER A 17 -13.559 7.702 5.093 1.00 0.75 H new ATOM 0 HG SER A 17 -12.815 9.358 3.783 1.00 2.08 H new ATOM 241 N CYS A 18 -9.769 7.621 3.291 1.00 0.46 N ATOM 242 CA CYS A 18 -8.736 7.200 2.346 1.00 0.52 C ATOM 243 C CYS A 18 -7.610 6.421 3.019 1.00 0.54 C ATOM 244 O CYS A 18 -7.024 5.554 2.379 1.00 0.85 O ATOM 245 CB CYS A 18 -8.179 8.369 1.532 1.00 0.62 C ATOM 246 SG CYS A 18 -9.466 9.058 0.451 1.00 0.75 S ATOM 0 H CYS A 18 -10.002 8.612 3.222 1.00 0.46 H new ATOM 0 HA CYS A 18 -9.231 6.522 1.651 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -7.806 9.143 2.203 1.00 0.62 H new ATOM 0 HB3 CYS A 18 -7.333 8.033 0.932 1.00 0.62 H new ATOM 0 HG CYS A 18 -8.975 10.050 -0.230 1.00 0.75 H new ATOM 252 N VAL A 19 -7.327 6.684 4.299 1.00 0.44 N ATOM 253 CA VAL A 19 -6.423 5.846 5.071 1.00 0.41 C ATOM 254 C VAL A 19 -6.920 4.393 5.038 1.00 0.46 C ATOM 255 O VAL A 19 -6.315 3.531 4.403 1.00 0.59 O ATOM 256 CB VAL A 19 -6.266 6.404 6.501 1.00 0.58 C ATOM 257 CG1 VAL A 19 -5.399 5.508 7.395 1.00 0.76 C ATOM 258 CG2 VAL A 19 -5.644 7.806 6.466 1.00 0.74 C ATOM 0 H VAL A 19 -7.715 7.473 4.817 1.00 0.44 H new ATOM 0 HA VAL A 19 -5.427 5.856 4.629 1.00 0.41 H new ATOM 0 HB VAL A 19 -7.270 6.441 6.925 1.00 0.58 H new ATOM 0 HG11 VAL A 19 -5.323 5.950 8.389 1.00 0.76 H new ATOM 0 HG12 VAL A 19 -5.854 4.520 7.471 1.00 0.76 H new ATOM 0 HG13 VAL A 19 -4.403 5.416 6.962 1.00 0.76 H new ATOM 0 HG21 VAL A 19 -5.541 8.184 7.483 1.00 0.74 H new ATOM 0 HG22 VAL A 19 -4.662 7.757 5.996 1.00 0.74 H new ATOM 0 HG23 VAL A 19 -6.287 8.475 5.894 1.00 0.74 H new ATOM 268 N HIS A 20 -8.044 4.098 5.695 1.00 0.56 N ATOM 269 CA HIS A 20 -8.504 2.724 5.847 1.00 0.75 C ATOM 270 C HIS A 20 -8.928 2.121 4.498 1.00 0.77 C ATOM 271 O HIS A 20 -8.812 0.915 4.291 1.00 0.98 O ATOM 272 CB HIS A 20 -9.566 2.639 6.954 1.00 0.92 C ATOM 273 CG HIS A 20 -10.948 2.279 6.486 1.00 1.01 C ATOM 274 ND1 HIS A 20 -11.581 1.085 6.713 1.00 1.74 N ATOM 275 CD2 HIS A 20 -11.738 3.012 5.646 1.00 0.67 C ATOM 276 CE1 HIS A 20 -12.747 1.121 6.048 1.00 1.75 C ATOM 277 NE2 HIS A 20 -12.886 2.271 5.372 1.00 1.10 N ATOM 0 H HIS A 20 -8.649 4.795 6.129 1.00 0.56 H new ATOM 0 HA HIS A 20 -7.678 2.095 6.179 1.00 0.75 H new ATOM 0 HB2 HIS A 20 -9.244 1.901 7.689 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -9.612 3.600 7.467 1.00 0.92 H new ATOM 0 HD2 HIS A 20 -11.512 3.995 5.261 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -13.478 0.326 6.056 1.00 1.75 H new ATOM 0 HE2 HIS A 20 -13.670 2.546 4.780 1.00 1.10 H new ATOM 285 N LYS A 21 -9.375 2.964 3.562 1.00 0.63 N ATOM 286 CA LYS A 21 -9.669 2.598 2.178 1.00 0.81 C ATOM 287 C LYS A 21 -8.498 1.822 1.572 1.00 0.91 C ATOM 288 O LYS A 21 -8.702 0.949 0.732 1.00 1.46 O ATOM 289 CB LYS A 21 -9.907 3.883 1.371 1.00 0.80 C ATOM 290 CG LYS A 21 -11.043 3.873 0.343 1.00 1.21 C ATOM 291 CD LYS A 21 -10.784 2.976 -0.875 1.00 1.57 C ATOM 292 CE LYS A 21 -11.690 3.398 -2.048 1.00 2.16 C ATOM 293 NZ LYS A 21 -11.139 4.538 -2.817 1.00 3.88 N ATOM 0 H LYS A 21 -9.547 3.951 3.756 1.00 0.63 H new ATOM 0 HA LYS A 21 -10.556 1.965 2.150 1.00 0.81 H new ATOM 0 HB2 LYS A 21 -10.098 4.692 2.076 1.00 0.80 H new ATOM 0 HB3 LYS A 21 -8.982 4.128 0.848 1.00 0.80 H new ATOM 0 HG2 LYS A 21 -11.959 3.544 0.834 1.00 1.21 H new ATOM 0 HG3 LYS A 21 -11.215 4.893 -0.001 1.00 1.21 H new ATOM 0 HD2 LYS A 21 -9.737 3.045 -1.171 1.00 1.57 H new ATOM 0 HD3 LYS A 21 -10.974 1.934 -0.616 1.00 1.57 H new ATOM 0 HE2 LYS A 21 -11.831 2.549 -2.717 1.00 2.16 H new ATOM 0 HE3 LYS A 21 -12.674 3.667 -1.663 1.00 2.16 H new ATOM 0 HZ1 LYS A 21 -11.888 4.953 -3.407 1.00 3.88 H new ATOM 0 HZ2 LYS A 21 -10.778 5.258 -2.159 1.00 3.88 H new ATOM 0 HZ3 LYS A 21 -10.364 4.204 -3.425 1.00 3.88 H new ATOM 307 N ILE A 22 -7.276 2.165 1.986 1.00 0.47 N ATOM 308 CA ILE A 22 -6.055 1.482 1.604 1.00 0.42 C ATOM 309 C ILE A 22 -5.801 0.398 2.648 1.00 0.40 C ATOM 310 O ILE A 22 -5.760 -0.791 2.335 1.00 0.45 O ATOM 311 CB ILE A 22 -4.915 2.520 1.539 1.00 0.39 C ATOM 312 CG1 ILE A 22 -5.231 3.549 0.452 1.00 0.38 C ATOM 313 CG2 ILE A 22 -3.575 1.857 1.249 1.00 0.59 C ATOM 314 CD1 ILE A 22 -4.312 4.763 0.372 1.00 0.55 C ATOM 0 H ILE A 22 -7.113 2.951 2.615 1.00 0.47 H new ATOM 0 HA ILE A 22 -6.124 1.012 0.623 1.00 0.42 H new ATOM 0 HB ILE A 22 -4.841 3.012 2.509 1.00 0.39 H new ATOM 0 HG12 ILE A 22 -5.210 3.042 -0.513 1.00 0.38 H new ATOM 0 HG13 ILE A 22 -6.251 3.903 0.604 1.00 0.38 H new ATOM 0 HG21 ILE A 22 -2.794 2.617 1.210 1.00 0.59 H new ATOM 0 HG22 ILE A 22 -3.345 1.141 2.038 1.00 0.59 H new ATOM 0 HG23 ILE A 22 -3.625 1.339 0.291 1.00 0.59 H new ATOM 0 HD11 ILE A 22 -4.641 5.416 -0.437 1.00 0.55 H new ATOM 0 HD12 ILE A 22 -4.347 5.308 1.315 1.00 0.55 H new ATOM 0 HD13 ILE A 22 -3.291 4.434 0.180 1.00 0.55 H new ATOM 326 N GLU A 23 -5.645 0.829 3.900 1.00 0.40 N ATOM 327 CA GLU A 23 -5.211 0.001 5.008 1.00 0.43 C ATOM 328 C GLU A 23 -6.095 -1.238 5.154 1.00 0.41 C ATOM 329 O GLU A 23 -5.629 -2.351 4.929 1.00 0.44 O ATOM 330 CB GLU A 23 -5.147 0.863 6.282 1.00 0.57 C ATOM 331 CG GLU A 23 -3.820 0.681 7.023 1.00 0.86 C ATOM 332 CD GLU A 23 -3.614 1.826 7.999 1.00 2.06 C ATOM 333 OE1 GLU A 23 -4.343 1.850 9.011 1.00 2.80 O ATOM 334 OE2 GLU A 23 -2.754 2.675 7.680 1.00 3.26 O ATOM 0 H GLU A 23 -5.825 1.796 4.172 1.00 0.40 H new ATOM 0 HA GLU A 23 -4.209 -0.383 4.818 1.00 0.43 H new ATOM 0 HB2 GLU A 23 -5.275 1.913 6.018 1.00 0.57 H new ATOM 0 HB3 GLU A 23 -5.972 0.597 6.943 1.00 0.57 H new ATOM 0 HG2 GLU A 23 -3.819 -0.269 7.557 1.00 0.86 H new ATOM 0 HG3 GLU A 23 -2.997 0.647 6.310 1.00 0.86 H new ATOM 341 N SER A 24 -7.380 -1.052 5.464 1.00 0.44 N ATOM 342 CA SER A 24 -8.326 -2.145 5.642 1.00 0.50 C ATOM 343 C SER A 24 -8.448 -2.992 4.376 1.00 0.49 C ATOM 344 O SER A 24 -8.649 -4.200 4.457 1.00 0.63 O ATOM 345 CB SER A 24 -9.697 -1.596 6.043 1.00 0.61 C ATOM 346 OG SER A 24 -9.585 -0.758 7.179 1.00 2.35 O ATOM 0 H SER A 24 -7.792 -0.129 5.599 1.00 0.44 H new ATOM 0 HA SER A 24 -7.949 -2.787 6.438 1.00 0.50 H new ATOM 0 HB2 SER A 24 -10.128 -1.037 5.213 1.00 0.61 H new ATOM 0 HB3 SER A 24 -10.376 -2.421 6.258 1.00 0.61 H new ATOM 0 HG SER A 24 -10.445 -0.320 7.349 1.00 2.35 H new ATOM 352 N SER A 25 -8.359 -2.360 3.202 1.00 0.46 N ATOM 353 CA SER A 25 -8.405 -3.082 1.938 1.00 0.50 C ATOM 354 C SER A 25 -7.220 -4.043 1.830 1.00 0.50 C ATOM 355 O SER A 25 -7.385 -5.176 1.382 1.00 0.76 O ATOM 356 CB SER A 25 -8.462 -2.098 0.767 1.00 0.57 C ATOM 357 OG SER A 25 -8.681 -2.779 -0.453 1.00 0.74 O ATOM 0 H SER A 25 -8.255 -1.350 3.106 1.00 0.46 H new ATOM 0 HA SER A 25 -9.313 -3.684 1.900 1.00 0.50 H new ATOM 0 HB2 SER A 25 -9.260 -1.375 0.933 1.00 0.57 H new ATOM 0 HB3 SER A 25 -7.529 -1.537 0.713 1.00 0.57 H new ATOM 0 HG SER A 25 -9.584 -2.582 -0.780 1.00 0.74 H new ATOM 363 N LEU A 26 -6.035 -3.609 2.266 1.00 0.40 N ATOM 364 CA LEU A 26 -4.854 -4.450 2.282 1.00 0.47 C ATOM 365 C LEU A 26 -4.951 -5.512 3.373 1.00 0.53 C ATOM 366 O LEU A 26 -4.939 -6.703 3.058 1.00 0.74 O ATOM 367 CB LEU A 26 -3.594 -3.614 2.438 1.00 0.53 C ATOM 368 CG LEU A 26 -3.254 -2.893 1.131 1.00 0.69 C ATOM 369 CD1 LEU A 26 -2.307 -1.753 1.465 1.00 2.11 C ATOM 370 CD2 LEU A 26 -2.592 -3.798 0.085 1.00 1.96 C ATOM 0 H LEU A 26 -5.876 -2.664 2.616 1.00 0.40 H new ATOM 0 HA LEU A 26 -4.795 -4.966 1.323 1.00 0.47 H new ATOM 0 HB2 LEU A 26 -3.733 -2.884 3.236 1.00 0.53 H new ATOM 0 HB3 LEU A 26 -2.762 -4.254 2.733 1.00 0.53 H new ATOM 0 HG LEU A 26 -4.189 -2.544 0.692 1.00 0.69 H new ATOM 0 HD11 LEU A 26 -2.045 -1.218 0.552 1.00 2.11 H new ATOM 0 HD12 LEU A 26 -2.793 -1.068 2.160 1.00 2.11 H new ATOM 0 HD13 LEU A 26 -1.403 -2.154 1.923 1.00 2.11 H new ATOM 0 HD21 LEU A 26 -2.380 -3.220 -0.814 1.00 1.96 H new ATOM 0 HD22 LEU A 26 -1.661 -4.198 0.487 1.00 1.96 H new ATOM 0 HD23 LEU A 26 -3.264 -4.620 -0.162 1.00 1.96 H new ATOM 382 N THR A 27 -5.026 -5.077 4.639 1.00 0.62 N ATOM 383 CA THR A 27 -4.887 -5.888 5.846 1.00 0.92 C ATOM 384 C THR A 27 -6.052 -6.872 5.984 1.00 1.34 C ATOM 385 O THR A 27 -6.907 -6.707 6.854 1.00 2.33 O ATOM 386 CB THR A 27 -4.768 -4.981 7.084 1.00 1.31 C ATOM 387 OG1 THR A 27 -5.930 -4.195 7.222 1.00 1.39 O ATOM 388 CG2 THR A 27 -3.537 -4.072 7.021 1.00 1.40 C ATOM 0 H THR A 27 -5.195 -4.094 4.855 1.00 0.62 H new ATOM 0 HA THR A 27 -3.973 -6.477 5.766 1.00 0.92 H new ATOM 0 HB THR A 27 -4.655 -5.632 7.951 1.00 1.31 H new ATOM 0 HG1 THR A 27 -6.722 -4.751 7.066 1.00 1.39 H new ATOM 0 HG21 THR A 27 -3.497 -3.451 7.916 1.00 1.40 H new ATOM 0 HG22 THR A 27 -2.636 -4.683 6.962 1.00 1.40 H new ATOM 0 HG23 THR A 27 -3.601 -3.434 6.140 1.00 1.40 H new ATOM 396 N LYS A 28 -6.081 -7.871 5.104 1.00 1.37 N ATOM 397 CA LYS A 28 -7.146 -8.841 4.915 1.00 1.68 C ATOM 398 C LYS A 28 -6.782 -9.829 3.806 1.00 1.54 C ATOM 399 O LYS A 28 -7.081 -11.014 3.937 1.00 1.88 O ATOM 400 CB LYS A 28 -8.507 -8.163 4.656 1.00 2.08 C ATOM 401 CG LYS A 28 -8.552 -7.181 3.480 1.00 1.86 C ATOM 402 CD LYS A 28 -8.773 -7.854 2.112 1.00 1.86 C ATOM 403 CE LYS A 28 -9.986 -7.279 1.371 1.00 2.23 C ATOM 404 NZ LYS A 28 -11.253 -7.579 2.067 1.00 3.85 N ATOM 0 H LYS A 28 -5.305 -8.031 4.462 1.00 1.37 H new ATOM 0 HA LYS A 28 -7.254 -9.402 5.843 1.00 1.68 H new ATOM 0 HB2 LYS A 28 -9.252 -8.940 4.484 1.00 2.08 H new ATOM 0 HB3 LYS A 28 -8.804 -7.631 5.560 1.00 2.08 H new ATOM 0 HG2 LYS A 28 -9.351 -6.460 3.652 1.00 1.86 H new ATOM 0 HG3 LYS A 28 -7.617 -6.621 3.451 1.00 1.86 H new ATOM 0 HD2 LYS A 28 -7.881 -7.727 1.498 1.00 1.86 H new ATOM 0 HD3 LYS A 28 -8.911 -8.926 2.255 1.00 1.86 H new ATOM 0 HE2 LYS A 28 -9.873 -6.199 1.274 1.00 2.23 H new ATOM 0 HE3 LYS A 28 -10.021 -7.688 0.361 1.00 2.23 H new ATOM 0 HZ1 LYS A 28 -12.053 -7.372 1.436 1.00 3.85 H new ATOM 0 HZ2 LYS A 28 -11.273 -8.584 2.334 1.00 3.85 H new ATOM 0 HZ3 LYS A 28 -11.326 -6.992 2.923 1.00 3.85 H new ATOM 418 N HIS A 29 -6.181 -9.373 2.697 1.00 1.26 N ATOM 419 CA HIS A 29 -5.869 -10.300 1.614 1.00 1.57 C ATOM 420 C HIS A 29 -4.674 -11.178 1.992 1.00 1.25 C ATOM 421 O HIS A 29 -3.789 -10.754 2.736 1.00 1.85 O ATOM 422 CB HIS A 29 -5.654 -9.578 0.279 1.00 1.99 C ATOM 423 CG HIS A 29 -4.432 -8.704 0.216 1.00 1.40 C ATOM 424 ND1 HIS A 29 -3.125 -9.135 0.136 1.00 2.79 N ATOM 425 CD2 HIS A 29 -4.430 -7.339 0.117 1.00 1.31 C ATOM 426 CE1 HIS A 29 -2.353 -8.043 0.012 1.00 3.87 C ATOM 427 NE2 HIS A 29 -3.099 -6.930 0.000 1.00 3.19 N ATOM 0 H HIS A 29 -5.912 -8.403 2.534 1.00 1.26 H new ATOM 0 HA HIS A 29 -6.732 -10.950 1.470 1.00 1.57 H new ATOM 0 HB2 HIS A 29 -5.590 -10.324 -0.513 1.00 1.99 H new ATOM 0 HB3 HIS A 29 -6.531 -8.965 0.070 1.00 1.99 H new ATOM 0 HD1 HIS A 29 -2.804 -10.103 0.165 1.00 2.79 H new ATOM 0 HD2 HIS A 29 -5.298 -6.696 0.127 1.00 1.31 H new ATOM 0 HE1 HIS A 29 -1.276 -8.060 -0.067 1.00 3.87 H new ATOM 435 N ARG A 30 -4.636 -12.399 1.451 1.00 1.36 N ATOM 436 CA ARG A 30 -3.539 -13.324 1.686 1.00 1.33 C ATOM 437 C ARG A 30 -2.203 -12.661 1.335 1.00 1.45 C ATOM 438 O ARG A 30 -2.131 -11.805 0.451 1.00 2.86 O ATOM 439 CB ARG A 30 -3.764 -14.617 0.883 1.00 1.74 C ATOM 440 CG ARG A 30 -2.693 -15.677 1.182 1.00 2.72 C ATOM 441 CD ARG A 30 -3.031 -17.019 0.520 1.00 3.29 C ATOM 442 NE ARG A 30 -2.011 -18.039 0.830 1.00 4.24 N ATOM 443 CZ ARG A 30 -0.831 -18.192 0.201 1.00 5.45 C ATOM 444 NH1 ARG A 30 -0.504 -17.386 -0.815 1.00 6.08 N ATOM 445 NH2 ARG A 30 0.019 -19.147 0.595 1.00 6.62 N ATOM 0 H ARG A 30 -5.366 -12.767 0.841 1.00 1.36 H new ATOM 0 HA ARG A 30 -3.506 -13.589 2.743 1.00 1.33 H new ATOM 0 HB2 ARG A 30 -4.749 -15.021 1.117 1.00 1.74 H new ATOM 0 HB3 ARG A 30 -3.758 -14.387 -0.182 1.00 1.74 H new ATOM 0 HG2 ARG A 30 -1.724 -15.328 0.825 1.00 2.72 H new ATOM 0 HG3 ARG A 30 -2.605 -15.813 2.260 1.00 2.72 H new ATOM 0 HD2 ARG A 30 -4.007 -17.361 0.863 1.00 3.29 H new ATOM 0 HD3 ARG A 30 -3.101 -16.887 -0.560 1.00 3.29 H new ATOM 0 HE ARG A 30 -2.219 -18.687 1.590 1.00 4.24 H new ATOM 0 HH11 ARG A 30 -1.149 -16.655 -1.114 1.00 6.08 H new ATOM 0 HH12 ARG A 30 0.391 -17.503 -1.291 1.00 6.08 H new ATOM 0 HH21 ARG A 30 -0.227 -19.760 1.372 1.00 6.62 H new ATOM 0 HH22 ARG A 30 0.913 -19.262 0.118 1.00 6.62 H new ATOM 459 N GLY A 31 -1.144 -13.054 2.043 1.00 0.91 N ATOM 460 CA GLY A 31 0.213 -12.626 1.758 1.00 0.98 C ATOM 461 C GLY A 31 0.593 -11.355 2.509 1.00 0.91 C ATOM 462 O GLY A 31 1.758 -11.189 2.868 1.00 1.16 O ATOM 0 H GLY A 31 -1.212 -13.687 2.840 1.00 0.91 H new ATOM 0 HA2 GLY A 31 0.906 -13.424 2.026 1.00 0.98 H new ATOM 0 HA3 GLY A 31 0.320 -12.457 0.687 1.00 0.98 H new ATOM 466 N ILE A 32 -0.372 -10.465 2.766 1.00 0.97 N ATOM 467 CA ILE A 32 -0.145 -9.318 3.619 1.00 0.90 C ATOM 468 C ILE A 32 0.013 -9.807 5.072 1.00 1.01 C ATOM 469 O ILE A 32 -0.618 -10.793 5.454 1.00 1.51 O ATOM 470 CB ILE A 32 -1.297 -8.303 3.432 1.00 1.10 C ATOM 471 CG1 ILE A 32 -0.821 -6.858 3.248 1.00 0.81 C ATOM 472 CG2 ILE A 32 -2.319 -8.397 4.564 1.00 1.96 C ATOM 473 CD1 ILE A 32 0.139 -6.429 4.340 1.00 1.49 C ATOM 0 H ILE A 32 -1.318 -10.527 2.389 1.00 0.97 H new ATOM 0 HA ILE A 32 0.774 -8.796 3.352 1.00 0.90 H new ATOM 0 HB ILE A 32 -1.783 -8.586 2.499 1.00 1.10 H new ATOM 0 HG12 ILE A 32 -0.334 -6.758 2.278 1.00 0.81 H new ATOM 0 HG13 ILE A 32 -1.683 -6.191 3.242 1.00 0.81 H new ATOM 0 HG21 ILE A 32 -3.113 -7.669 4.398 1.00 1.96 H new ATOM 0 HG22 ILE A 32 -2.745 -9.400 4.587 1.00 1.96 H new ATOM 0 HG23 ILE A 32 -1.829 -8.189 5.515 1.00 1.96 H new ATOM 0 HD11 ILE A 32 0.449 -5.398 4.168 1.00 1.49 H new ATOM 0 HD12 ILE A 32 -0.356 -6.502 5.309 1.00 1.49 H new ATOM 0 HD13 ILE A 32 1.015 -7.078 4.330 1.00 1.49 H new ATOM 485 N LEU A 33 0.815 -9.114 5.885 1.00 0.81 N ATOM 486 CA LEU A 33 0.877 -9.279 7.334 1.00 0.99 C ATOM 487 C LEU A 33 0.384 -7.997 8.020 1.00 0.92 C ATOM 488 O LEU A 33 -0.478 -8.065 8.894 1.00 1.10 O ATOM 489 CB LEU A 33 2.304 -9.634 7.790 1.00 1.19 C ATOM 490 CG LEU A 33 2.944 -10.804 7.021 1.00 2.03 C ATOM 491 CD1 LEU A 33 4.409 -10.947 7.446 1.00 2.53 C ATOM 492 CD2 LEU A 33 2.210 -12.124 7.282 1.00 3.15 C ATOM 0 H LEU A 33 1.458 -8.401 5.539 1.00 0.81 H new ATOM 0 HA LEU A 33 0.228 -10.106 7.622 1.00 0.99 H new ATOM 0 HB2 LEU A 33 2.937 -8.753 7.681 1.00 1.19 H new ATOM 0 HB3 LEU A 33 2.282 -9.881 8.851 1.00 1.19 H new ATOM 0 HG LEU A 33 2.875 -10.585 5.955 1.00 2.03 H new ATOM 0 HD11 LEU A 33 4.866 -11.775 6.904 1.00 2.53 H new ATOM 0 HD12 LEU A 33 4.945 -10.025 7.220 1.00 2.53 H new ATOM 0 HD13 LEU A 33 4.460 -11.143 8.517 1.00 2.53 H new ATOM 0 HD21 LEU A 33 2.692 -12.925 6.722 1.00 3.15 H new ATOM 0 HD22 LEU A 33 2.244 -12.355 8.347 1.00 3.15 H new ATOM 0 HD23 LEU A 33 1.172 -12.032 6.963 1.00 3.15 H new ATOM 504 N TYR A 34 0.924 -6.831 7.642 1.00 0.72 N ATOM 505 CA TYR A 34 0.611 -5.544 8.269 1.00 0.67 C ATOM 506 C TYR A 34 0.755 -4.414 7.241 1.00 0.56 C ATOM 507 O TYR A 34 1.421 -4.607 6.231 1.00 0.78 O ATOM 508 CB TYR A 34 1.569 -5.355 9.455 1.00 0.80 C ATOM 509 CG TYR A 34 1.441 -4.034 10.186 1.00 0.81 C ATOM 510 CD1 TYR A 34 0.361 -3.810 11.060 1.00 1.97 C ATOM 511 CD2 TYR A 34 2.376 -3.008 9.954 1.00 2.18 C ATOM 512 CE1 TYR A 34 0.210 -2.561 11.686 1.00 1.90 C ATOM 513 CE2 TYR A 34 2.226 -1.764 10.584 1.00 2.32 C ATOM 514 CZ TYR A 34 1.125 -1.528 11.422 1.00 1.02 C ATOM 515 OH TYR A 34 0.919 -0.286 11.945 1.00 1.19 O ATOM 0 H TYR A 34 1.600 -6.756 6.881 1.00 0.72 H new ATOM 0 HA TYR A 34 -0.418 -5.523 8.629 1.00 0.67 H new ATOM 0 HB2 TYR A 34 1.403 -6.163 10.167 1.00 0.80 H new ATOM 0 HB3 TYR A 34 2.593 -5.454 9.093 1.00 0.80 H new ATOM 0 HD1 TYR A 34 -0.352 -4.598 11.250 1.00 1.97 H new ATOM 0 HD2 TYR A 34 3.210 -3.179 9.290 1.00 2.18 H new ATOM 0 HE1 TYR A 34 -0.609 -2.395 12.370 1.00 1.90 H new ATOM 0 HE2 TYR A 34 2.959 -0.987 10.424 1.00 2.32 H new ATOM 0 HH TYR A 34 1.241 0.392 11.315 1.00 1.19 H new ATOM 525 N CYS A 35 0.170 -3.234 7.477 1.00 0.68 N ATOM 526 CA CYS A 35 0.419 -2.040 6.666 1.00 0.79 C ATOM 527 C CYS A 35 0.418 -0.838 7.584 1.00 0.80 C ATOM 528 O CYS A 35 -0.091 -0.917 8.702 1.00 0.98 O ATOM 529 CB CYS A 35 -0.683 -1.757 5.630 1.00 0.92 C ATOM 530 SG CYS A 35 -1.016 -3.154 4.562 1.00 2.02 S ATOM 0 H CYS A 35 -0.491 -3.081 8.239 1.00 0.68 H new ATOM 0 HA CYS A 35 1.362 -2.214 6.148 1.00 0.79 H new ATOM 0 HB2 CYS A 35 -1.599 -1.478 6.150 1.00 0.92 H new ATOM 0 HB3 CYS A 35 -0.390 -0.903 5.020 1.00 0.92 H new ATOM 0 HG CYS A 35 -1.399 -4.168 5.280 1.00 2.02 H new ATOM 536 N SER A 36 0.864 0.306 7.065 1.00 0.64 N ATOM 537 CA SER A 36 0.346 1.590 7.503 1.00 0.46 C ATOM 538 C SER A 36 0.391 2.535 6.306 1.00 0.38 C ATOM 539 O SER A 36 1.429 2.587 5.638 1.00 0.53 O ATOM 540 CB SER A 36 1.150 2.158 8.679 1.00 0.82 C ATOM 541 OG SER A 36 1.283 1.203 9.717 1.00 1.54 O ATOM 0 H SER A 36 1.582 0.364 6.342 1.00 0.64 H new ATOM 0 HA SER A 36 -0.676 1.471 7.862 1.00 0.46 H new ATOM 0 HB2 SER A 36 2.138 2.464 8.334 1.00 0.82 H new ATOM 0 HB3 SER A 36 0.656 3.050 9.063 1.00 0.82 H new ATOM 0 HG SER A 36 0.763 0.403 9.494 1.00 1.54 H new ATOM 547 N VAL A 37 -0.697 3.260 6.026 1.00 0.37 N ATOM 548 CA VAL A 37 -0.674 4.411 5.148 1.00 0.40 C ATOM 549 C VAL A 37 -0.751 5.701 5.971 1.00 0.45 C ATOM 550 O VAL A 37 -1.437 5.745 6.989 1.00 0.56 O ATOM 551 CB VAL A 37 -1.784 4.247 4.103 1.00 0.53 C ATOM 552 CG1 VAL A 37 -3.174 4.510 4.676 1.00 1.98 C ATOM 553 CG2 VAL A 37 -1.562 5.182 2.923 1.00 2.15 C ATOM 0 H VAL A 37 -1.619 3.055 6.410 1.00 0.37 H new ATOM 0 HA VAL A 37 0.265 4.482 4.599 1.00 0.40 H new ATOM 0 HB VAL A 37 -1.736 3.208 3.776 1.00 0.53 H new ATOM 0 HG11 VAL A 37 -3.921 4.380 3.893 1.00 1.98 H new ATOM 0 HG12 VAL A 37 -3.372 3.809 5.487 1.00 1.98 H new ATOM 0 HG13 VAL A 37 -3.223 5.530 5.058 1.00 1.98 H new ATOM 0 HG21 VAL A 37 -2.363 5.046 2.196 1.00 2.15 H new ATOM 0 HG22 VAL A 37 -1.560 6.215 3.272 1.00 2.15 H new ATOM 0 HG23 VAL A 37 -0.604 4.956 2.455 1.00 2.15 H new ATOM 563 N ALA A 38 -0.026 6.750 5.561 1.00 0.60 N ATOM 564 CA ALA A 38 -0.005 8.026 6.268 1.00 0.78 C ATOM 565 C ALA A 38 -0.289 9.188 5.326 1.00 0.73 C ATOM 566 O ALA A 38 0.328 9.305 4.269 1.00 0.61 O ATOM 567 CB ALA A 38 1.330 8.247 6.970 1.00 0.93 C ATOM 0 H ALA A 38 0.562 6.732 4.728 1.00 0.60 H new ATOM 0 HA ALA A 38 -0.794 7.987 7.019 1.00 0.78 H new ATOM 0 HB1 ALA A 38 1.314 9.206 7.488 1.00 0.93 H new ATOM 0 HB2 ALA A 38 1.498 7.448 7.692 1.00 0.93 H new ATOM 0 HB3 ALA A 38 2.133 8.245 6.233 1.00 0.93 H new ATOM 573 N LEU A 39 -1.196 10.068 5.753 1.00 0.93 N ATOM 574 CA LEU A 39 -1.641 11.224 4.986 1.00 1.06 C ATOM 575 C LEU A 39 -0.465 12.152 4.686 1.00 0.92 C ATOM 576 O LEU A 39 -0.158 12.406 3.525 1.00 0.88 O ATOM 577 CB LEU A 39 -2.749 11.979 5.739 1.00 1.67 C ATOM 578 CG LEU A 39 -4.071 11.200 5.866 1.00 1.32 C ATOM 579 CD1 LEU A 39 -4.987 11.929 6.853 1.00 2.67 C ATOM 580 CD2 LEU A 39 -4.812 11.090 4.527 1.00 1.84 C ATOM 0 H LEU A 39 -1.650 9.992 6.663 1.00 0.93 H new ATOM 0 HA LEU A 39 -2.051 10.872 4.039 1.00 1.06 H new ATOM 0 HB2 LEU A 39 -2.390 12.227 6.738 1.00 1.67 H new ATOM 0 HB3 LEU A 39 -2.944 12.921 5.227 1.00 1.67 H new ATOM 0 HG LEU A 39 -3.825 10.195 6.209 1.00 1.32 H new ATOM 0 HD11 LEU A 39 -5.926 11.384 6.949 1.00 2.67 H new ATOM 0 HD12 LEU A 39 -4.500 11.987 7.826 1.00 2.67 H new ATOM 0 HD13 LEU A 39 -5.188 12.936 6.487 1.00 2.67 H new ATOM 0 HD21 LEU A 39 -5.738 10.532 4.668 1.00 1.84 H new ATOM 0 HD22 LEU A 39 -5.043 12.089 4.156 1.00 1.84 H new ATOM 0 HD23 LEU A 39 -4.182 10.571 3.804 1.00 1.84 H new ATOM 592 N ALA A 40 0.201 12.647 5.734 1.00 0.99 N ATOM 593 CA ALA A 40 1.189 13.716 5.631 1.00 1.02 C ATOM 594 C ALA A 40 2.306 13.393 4.635 1.00 0.89 C ATOM 595 O ALA A 40 2.765 14.270 3.910 1.00 1.03 O ATOM 596 CB ALA A 40 1.771 14.004 7.018 1.00 1.25 C ATOM 0 H ALA A 40 0.065 12.310 6.687 1.00 0.99 H new ATOM 0 HA ALA A 40 0.682 14.602 5.249 1.00 1.02 H new ATOM 0 HB1 ALA A 40 2.510 14.802 6.944 1.00 1.25 H new ATOM 0 HB2 ALA A 40 0.971 14.311 7.692 1.00 1.25 H new ATOM 0 HB3 ALA A 40 2.247 13.104 7.407 1.00 1.25 H new ATOM 602 N THR A 41 2.754 12.135 4.618 1.00 0.79 N ATOM 603 CA THR A 41 3.818 11.675 3.733 1.00 0.79 C ATOM 604 C THR A 41 3.226 11.042 2.463 1.00 0.63 C ATOM 605 O THR A 41 3.954 10.724 1.526 1.00 0.73 O ATOM 606 CB THR A 41 4.714 10.730 4.544 1.00 1.02 C ATOM 607 OG1 THR A 41 5.134 11.376 5.731 1.00 1.94 O ATOM 608 CG2 THR A 41 5.988 10.321 3.801 1.00 2.30 C ATOM 0 H THR A 41 2.383 11.404 5.225 1.00 0.79 H new ATOM 0 HA THR A 41 4.433 12.500 3.374 1.00 0.79 H new ATOM 0 HB THR A 41 4.113 9.842 4.737 1.00 1.02 H new ATOM 0 HG1 THR A 41 5.705 10.770 6.249 1.00 1.94 H new ATOM 0 HG21 THR A 41 6.577 9.653 4.429 1.00 2.30 H new ATOM 0 HG22 THR A 41 5.721 9.809 2.877 1.00 2.30 H new ATOM 0 HG23 THR A 41 6.574 11.210 3.567 1.00 2.30 H new ATOM 616 N ASN A 42 1.902 10.849 2.432 1.00 0.60 N ATOM 617 CA ASN A 42 1.139 10.248 1.349 1.00 0.68 C ATOM 618 C ASN A 42 1.661 8.860 0.961 1.00 0.62 C ATOM 619 O ASN A 42 1.416 8.393 -0.150 1.00 1.02 O ATOM 620 CB ASN A 42 1.043 11.230 0.166 1.00 0.88 C ATOM 621 CG ASN A 42 0.115 10.731 -0.930 1.00 2.09 C ATOM 622 OD1 ASN A 42 0.498 10.710 -2.094 1.00 2.71 O ATOM 623 ND2 ASN A 42 -1.099 10.322 -0.573 1.00 3.34 N ATOM 0 H ASN A 42 1.306 11.127 3.212 1.00 0.60 H new ATOM 0 HA ASN A 42 0.123 10.064 1.699 1.00 0.68 H new ATOM 0 HB2 ASN A 42 0.688 12.195 0.527 1.00 0.88 H new ATOM 0 HB3 ASN A 42 2.038 11.391 -0.250 1.00 0.88 H new ATOM 0 HD21 ASN A 42 -1.748 9.975 -1.279 1.00 3.34 H new ATOM 0 HD22 ASN A 42 -1.381 10.355 0.407 1.00 3.34 H new ATOM 630 N LYS A 43 2.358 8.184 1.883 1.00 0.66 N ATOM 631 CA LYS A 43 2.932 6.872 1.631 1.00 0.62 C ATOM 632 C LYS A 43 2.038 5.783 2.197 1.00 0.53 C ATOM 633 O LYS A 43 1.474 5.973 3.275 1.00 0.70 O ATOM 634 CB LYS A 43 4.367 6.746 2.160 1.00 0.94 C ATOM 635 CG LYS A 43 4.519 6.851 3.685 1.00 1.67 C ATOM 636 CD LYS A 43 5.780 6.134 4.186 1.00 1.38 C ATOM 637 CE LYS A 43 7.066 6.623 3.505 1.00 1.18 C ATOM 638 NZ LYS A 43 8.243 5.910 4.046 1.00 1.64 N ATOM 0 H LYS A 43 2.536 8.538 2.823 1.00 0.66 H new ATOM 0 HA LYS A 43 2.991 6.747 0.550 1.00 0.62 H new ATOM 0 HB2 LYS A 43 4.772 5.787 1.837 1.00 0.94 H new ATOM 0 HB3 LYS A 43 4.976 7.522 1.697 1.00 0.94 H new ATOM 0 HG2 LYS A 43 4.560 7.901 3.974 1.00 1.67 H new ATOM 0 HG3 LYS A 43 3.641 6.421 4.168 1.00 1.67 H new ATOM 0 HD2 LYS A 43 5.869 6.279 5.263 1.00 1.38 H new ATOM 0 HD3 LYS A 43 5.672 5.063 4.017 1.00 1.38 H new ATOM 0 HE2 LYS A 43 6.999 6.461 2.429 1.00 1.18 H new ATOM 0 HE3 LYS A 43 7.181 7.696 3.660 1.00 1.18 H new ATOM 0 HZ1 LYS A 43 8.760 6.536 4.696 1.00 1.64 H new ATOM 0 HZ2 LYS A 43 7.929 5.061 4.559 1.00 1.64 H new ATOM 0 HZ3 LYS A 43 8.869 5.630 3.264 1.00 1.64 H new ATOM 652 N ALA A 44 1.979 4.642 1.509 1.00 0.45 N ATOM 653 CA ALA A 44 1.650 3.358 2.105 1.00 0.46 C ATOM 654 C ALA A 44 2.947 2.567 2.210 1.00 0.46 C ATOM 655 O ALA A 44 3.743 2.592 1.269 1.00 0.55 O ATOM 656 CB ALA A 44 0.613 2.612 1.258 1.00 0.57 C ATOM 0 H ALA A 44 2.162 4.589 0.507 1.00 0.45 H new ATOM 0 HA ALA A 44 1.207 3.493 3.092 1.00 0.46 H new ATOM 0 HB1 ALA A 44 0.383 1.654 1.725 1.00 0.57 H new ATOM 0 HB2 ALA A 44 -0.296 3.209 1.187 1.00 0.57 H new ATOM 0 HB3 ALA A 44 1.014 2.442 0.259 1.00 0.57 H new ATOM 662 N HIS A 45 3.151 1.864 3.331 1.00 0.56 N ATOM 663 CA HIS A 45 4.018 0.700 3.347 1.00 0.72 C ATOM 664 C HIS A 45 3.113 -0.515 3.475 1.00 0.65 C ATOM 665 O HIS A 45 2.050 -0.431 4.095 1.00 0.64 O ATOM 666 CB HIS A 45 5.051 0.766 4.481 1.00 0.97 C ATOM 667 CG HIS A 45 4.562 0.323 5.837 1.00 0.80 C ATOM 668 ND1 HIS A 45 4.472 1.113 6.957 1.00 1.04 N ATOM 669 CD2 HIS A 45 4.262 -0.963 6.212 1.00 0.80 C ATOM 670 CE1 HIS A 45 4.120 0.318 7.981 1.00 1.24 C ATOM 671 NE2 HIS A 45 3.976 -0.956 7.578 1.00 1.07 N ATOM 0 H HIS A 45 2.725 2.087 4.231 1.00 0.56 H new ATOM 0 HA HIS A 45 4.605 0.648 2.430 1.00 0.72 H new ATOM 0 HB2 HIS A 45 5.907 0.150 4.205 1.00 0.97 H new ATOM 0 HB3 HIS A 45 5.410 1.792 4.562 1.00 0.97 H new ATOM 0 HD2 HIS A 45 4.250 -1.827 5.565 1.00 0.80 H new ATOM 0 HE1 HIS A 45 3.972 0.658 8.995 1.00 1.24 H new ATOM 0 HE2 HIS A 45 3.711 -1.755 8.154 1.00 1.07 H new ATOM 679 N ILE A 46 3.568 -1.641 2.928 1.00 0.65 N ATOM 680 CA ILE A 46 2.920 -2.927 3.063 1.00 0.60 C ATOM 681 C ILE A 46 3.983 -3.885 3.591 1.00 0.64 C ATOM 682 O ILE A 46 5.026 -4.045 2.964 1.00 0.83 O ATOM 683 CB ILE A 46 2.372 -3.390 1.703 1.00 0.66 C ATOM 684 CG1 ILE A 46 1.484 -2.337 1.020 1.00 0.70 C ATOM 685 CG2 ILE A 46 1.516 -4.643 1.888 1.00 0.83 C ATOM 686 CD1 ILE A 46 2.263 -1.356 0.146 1.00 1.05 C ATOM 0 H ILE A 46 4.419 -1.676 2.367 1.00 0.65 H new ATOM 0 HA ILE A 46 2.070 -2.884 3.744 1.00 0.60 H new ATOM 0 HB ILE A 46 3.244 -3.576 1.076 1.00 0.66 H new ATOM 0 HG12 ILE A 46 0.739 -2.844 0.407 1.00 0.70 H new ATOM 0 HG13 ILE A 46 0.942 -1.779 1.784 1.00 0.70 H new ATOM 0 HG21 ILE A 46 1.131 -4.966 0.921 1.00 0.83 H new ATOM 0 HG22 ILE A 46 2.123 -5.438 2.321 1.00 0.83 H new ATOM 0 HG23 ILE A 46 0.683 -4.419 2.554 1.00 0.83 H new ATOM 0 HD11 ILE A 46 1.573 -0.642 -0.304 1.00 1.05 H new ATOM 0 HD12 ILE A 46 2.990 -0.822 0.758 1.00 1.05 H new ATOM 0 HD13 ILE A 46 2.783 -1.903 -0.640 1.00 1.05 H new ATOM 698 N LYS A 47 3.718 -4.499 4.741 1.00 0.53 N ATOM 699 CA LYS A 47 4.473 -5.596 5.327 1.00 0.57 C ATOM 700 C LYS A 47 3.785 -6.885 4.883 1.00 0.58 C ATOM 701 O LYS A 47 2.957 -7.427 5.613 1.00 0.89 O ATOM 702 CB LYS A 47 4.493 -5.458 6.861 1.00 0.65 C ATOM 703 CG LYS A 47 5.698 -4.677 7.390 1.00 0.81 C ATOM 704 CD LYS A 47 6.926 -5.602 7.480 1.00 1.84 C ATOM 705 CE LYS A 47 8.112 -4.922 8.179 1.00 2.35 C ATOM 706 NZ LYS A 47 9.145 -5.899 8.589 1.00 3.68 N ATOM 0 H LYS A 47 2.924 -4.226 5.320 1.00 0.53 H new ATOM 0 HA LYS A 47 5.512 -5.595 4.998 1.00 0.57 H new ATOM 0 HB2 LYS A 47 3.578 -4.962 7.185 1.00 0.65 H new ATOM 0 HB3 LYS A 47 4.491 -6.453 7.307 1.00 0.65 H new ATOM 0 HG2 LYS A 47 5.914 -3.835 6.732 1.00 0.81 H new ATOM 0 HG3 LYS A 47 5.471 -4.263 8.373 1.00 0.81 H new ATOM 0 HD2 LYS A 47 6.657 -6.508 8.022 1.00 1.84 H new ATOM 0 HD3 LYS A 47 7.224 -5.907 6.477 1.00 1.84 H new ATOM 0 HE2 LYS A 47 8.555 -4.185 7.509 1.00 2.35 H new ATOM 0 HE3 LYS A 47 7.755 -4.381 9.056 1.00 2.35 H new ATOM 0 HZ1 LYS A 47 9.928 -5.400 9.057 1.00 3.68 H new ATOM 0 HZ2 LYS A 47 8.729 -6.587 9.249 1.00 3.68 H new ATOM 0 HZ3 LYS A 47 9.504 -6.397 7.750 1.00 3.68 H new ATOM 720 N TYR A 48 4.104 -7.337 3.670 1.00 0.68 N ATOM 721 CA TYR A 48 3.639 -8.568 3.043 1.00 0.62 C ATOM 722 C TYR A 48 4.830 -9.479 2.746 1.00 0.61 C ATOM 723 O TYR A 48 5.968 -9.007 2.714 1.00 0.69 O ATOM 724 CB TYR A 48 2.897 -8.244 1.734 1.00 0.67 C ATOM 725 CG TYR A 48 3.762 -7.710 0.602 1.00 0.69 C ATOM 726 CD1 TYR A 48 4.324 -6.423 0.682 1.00 1.70 C ATOM 727 CD2 TYR A 48 3.952 -8.470 -0.566 1.00 1.98 C ATOM 728 CE1 TYR A 48 5.129 -5.927 -0.356 1.00 1.80 C ATOM 729 CE2 TYR A 48 4.694 -7.942 -1.637 1.00 2.00 C ATOM 730 CZ TYR A 48 5.317 -6.693 -1.516 1.00 0.93 C ATOM 731 OH TYR A 48 6.075 -6.220 -2.542 1.00 1.17 O ATOM 0 H TYR A 48 4.736 -6.816 3.062 1.00 0.68 H new ATOM 0 HA TYR A 48 2.956 -9.077 3.724 1.00 0.62 H new ATOM 0 HB2 TYR A 48 2.396 -9.148 1.388 1.00 0.67 H new ATOM 0 HB3 TYR A 48 2.120 -7.511 1.950 1.00 0.67 H new ATOM 0 HD1 TYR A 48 4.134 -5.810 1.551 1.00 1.70 H new ATOM 0 HD2 TYR A 48 3.527 -9.460 -0.640 1.00 1.98 H new ATOM 0 HE1 TYR A 48 5.601 -4.960 -0.262 1.00 1.80 H new ATOM 0 HE2 TYR A 48 4.784 -8.501 -2.556 1.00 2.00 H new ATOM 0 HH TYR A 48 6.098 -6.882 -3.264 1.00 1.17 H new ATOM 741 N ASP A 49 4.563 -10.760 2.474 1.00 0.68 N ATOM 742 CA ASP A 49 5.558 -11.665 1.912 1.00 0.68 C ATOM 743 C ASP A 49 5.512 -11.525 0.385 1.00 0.70 C ATOM 744 O ASP A 49 4.469 -11.801 -0.215 1.00 0.82 O ATOM 745 CB ASP A 49 5.249 -13.102 2.341 1.00 0.82 C ATOM 746 CG ASP A 49 6.140 -14.149 1.673 1.00 2.04 C ATOM 747 OD1 ASP A 49 6.978 -13.768 0.824 1.00 3.26 O ATOM 748 OD2 ASP A 49 5.938 -15.333 2.013 1.00 3.02 O ATOM 0 H ASP A 49 3.654 -11.193 2.638 1.00 0.68 H new ATOM 0 HA ASP A 49 6.557 -11.418 2.272 1.00 0.68 H new ATOM 0 HB2 ASP A 49 5.360 -13.180 3.423 1.00 0.82 H new ATOM 0 HB3 ASP A 49 4.207 -13.324 2.110 1.00 0.82 H new ATOM 753 N PRO A 50 6.599 -11.085 -0.266 1.00 0.72 N ATOM 754 CA PRO A 50 6.627 -10.935 -1.706 1.00 0.82 C ATOM 755 C PRO A 50 6.546 -12.270 -2.445 1.00 0.97 C ATOM 756 O PRO A 50 6.007 -12.306 -3.551 1.00 1.31 O ATOM 757 CB PRO A 50 7.917 -10.173 -2.017 1.00 0.89 C ATOM 758 CG PRO A 50 8.839 -10.567 -0.865 1.00 0.90 C ATOM 759 CD PRO A 50 7.878 -10.706 0.315 1.00 0.78 C ATOM 0 HA PRO A 50 5.750 -10.390 -2.056 1.00 0.82 H new ATOM 0 HB2 PRO A 50 8.333 -10.461 -2.983 1.00 0.89 H new ATOM 0 HB3 PRO A 50 7.751 -9.096 -2.050 1.00 0.89 H new ATOM 0 HG2 PRO A 50 9.364 -11.500 -1.070 1.00 0.90 H new ATOM 0 HG3 PRO A 50 9.599 -9.808 -0.679 1.00 0.90 H new ATOM 0 HD2 PRO A 50 8.228 -11.461 1.019 1.00 0.78 H new ATOM 0 HD3 PRO A 50 7.796 -9.769 0.867 1.00 0.78 H new ATOM 767 N GLU A 51 7.042 -13.373 -1.875 1.00 1.00 N ATOM 768 CA GLU A 51 7.259 -14.607 -2.625 1.00 1.06 C ATOM 769 C GLU A 51 5.989 -15.470 -2.658 1.00 1.30 C ATOM 770 O GLU A 51 6.054 -16.692 -2.771 1.00 2.30 O ATOM 771 CB GLU A 51 8.491 -15.333 -2.055 1.00 1.09 C ATOM 772 CG GLU A 51 9.186 -16.218 -3.101 1.00 2.30 C ATOM 773 CD GLU A 51 10.491 -16.796 -2.570 1.00 2.73 C ATOM 774 OE1 GLU A 51 11.441 -15.997 -2.426 1.00 3.30 O ATOM 775 OE2 GLU A 51 10.521 -18.021 -2.328 1.00 3.55 O ATOM 0 H GLU A 51 7.301 -13.433 -0.890 1.00 1.00 H new ATOM 0 HA GLU A 51 7.471 -14.379 -3.669 1.00 1.06 H new ATOM 0 HB2 GLU A 51 9.200 -14.597 -1.677 1.00 1.09 H new ATOM 0 HB3 GLU A 51 8.187 -15.947 -1.207 1.00 1.09 H new ATOM 0 HG2 GLU A 51 8.520 -17.030 -3.392 1.00 2.30 H new ATOM 0 HG3 GLU A 51 9.385 -15.633 -3.999 1.00 2.30 H new ATOM 782 N ILE A 52 4.816 -14.829 -2.595 1.00 0.84 N ATOM 783 CA ILE A 52 3.521 -15.491 -2.685 1.00 0.87 C ATOM 784 C ILE A 52 2.489 -14.643 -3.423 1.00 0.93 C ATOM 785 O ILE A 52 1.827 -15.151 -4.325 1.00 1.28 O ATOM 786 CB ILE A 52 3.013 -15.970 -1.311 1.00 0.82 C ATOM 787 CG1 ILE A 52 3.130 -14.911 -0.204 1.00 0.69 C ATOM 788 CG2 ILE A 52 3.711 -17.279 -0.906 1.00 1.01 C ATOM 789 CD1 ILE A 52 2.623 -15.476 1.129 1.00 0.80 C ATOM 0 H ILE A 52 4.745 -13.818 -2.478 1.00 0.84 H new ATOM 0 HA ILE A 52 3.671 -16.387 -3.287 1.00 0.87 H new ATOM 0 HB ILE A 52 1.945 -16.155 -1.426 1.00 0.82 H new ATOM 0 HG12 ILE A 52 4.168 -14.595 -0.102 1.00 0.69 H new ATOM 0 HG13 ILE A 52 2.553 -14.027 -0.475 1.00 0.69 H new ATOM 0 HG21 ILE A 52 3.341 -17.603 0.067 1.00 1.01 H new ATOM 0 HG22 ILE A 52 3.501 -18.048 -1.649 1.00 1.01 H new ATOM 0 HG23 ILE A 52 4.787 -17.115 -0.848 1.00 1.01 H new ATOM 0 HD11 ILE A 52 2.712 -14.715 1.904 1.00 0.80 H new ATOM 0 HD12 ILE A 52 1.578 -15.769 1.026 1.00 0.80 H new ATOM 0 HD13 ILE A 52 3.218 -16.346 1.405 1.00 0.80 H new ATOM 801 N ILE A 53 2.332 -13.376 -3.034 1.00 0.73 N ATOM 802 CA ILE A 53 1.458 -12.440 -3.735 1.00 0.74 C ATOM 803 C ILE A 53 2.303 -11.630 -4.723 1.00 0.68 C ATOM 804 O ILE A 53 2.441 -12.045 -5.876 1.00 1.22 O ATOM 805 CB ILE A 53 0.547 -11.664 -2.756 1.00 0.88 C ATOM 806 CG1 ILE A 53 -0.390 -10.740 -3.546 1.00 1.06 C ATOM 807 CG2 ILE A 53 1.249 -10.888 -1.630 1.00 0.89 C ATOM 808 CD1 ILE A 53 -1.459 -10.091 -2.667 1.00 1.31 C ATOM 0 H ILE A 53 2.807 -12.973 -2.226 1.00 0.73 H new ATOM 0 HA ILE A 53 0.720 -12.953 -4.351 1.00 0.74 H new ATOM 0 HB ILE A 53 -0.009 -12.437 -2.225 1.00 0.88 H new ATOM 0 HG12 ILE A 53 0.199 -9.961 -4.030 1.00 1.06 H new ATOM 0 HG13 ILE A 53 -0.874 -11.312 -4.338 1.00 1.06 H new ATOM 0 HG21 ILE A 53 0.503 -10.387 -1.013 1.00 0.89 H new ATOM 0 HG22 ILE A 53 1.824 -11.580 -1.015 1.00 0.89 H new ATOM 0 HG23 ILE A 53 1.919 -10.145 -2.063 1.00 0.89 H new ATOM 0 HD11 ILE A 53 -2.092 -9.449 -3.279 1.00 1.31 H new ATOM 0 HD12 ILE A 53 -2.069 -10.866 -2.203 1.00 1.31 H new ATOM 0 HD13 ILE A 53 -0.979 -9.494 -1.891 1.00 1.31 H new ATOM 820 N GLY A 54 2.928 -10.539 -4.272 1.00 0.75 N ATOM 821 CA GLY A 54 3.870 -9.762 -5.061 1.00 0.66 C ATOM 822 C GLY A 54 3.581 -8.255 -5.025 1.00 0.55 C ATOM 823 O GLY A 54 2.531 -7.813 -4.557 1.00 0.61 O ATOM 0 H GLY A 54 2.787 -10.170 -3.332 1.00 0.75 H new ATOM 0 HA2 GLY A 54 4.880 -9.942 -4.692 1.00 0.66 H new ATOM 0 HA3 GLY A 54 3.842 -10.107 -6.094 1.00 0.66 H new ATOM 827 N PRO A 55 4.552 -7.452 -5.488 1.00 0.54 N ATOM 828 CA PRO A 55 4.460 -6.000 -5.545 1.00 0.61 C ATOM 829 C PRO A 55 3.449 -5.548 -6.601 1.00 0.63 C ATOM 830 O PRO A 55 2.617 -4.685 -6.329 1.00 0.60 O ATOM 831 CB PRO A 55 5.878 -5.510 -5.866 1.00 0.74 C ATOM 832 CG PRO A 55 6.554 -6.708 -6.537 1.00 0.73 C ATOM 833 CD PRO A 55 5.877 -7.908 -5.872 1.00 0.62 C ATOM 0 HA PRO A 55 4.103 -5.582 -4.604 1.00 0.61 H new ATOM 0 HB2 PRO A 55 5.859 -4.644 -6.527 1.00 0.74 H new ATOM 0 HB3 PRO A 55 6.408 -5.210 -4.962 1.00 0.74 H new ATOM 0 HG2 PRO A 55 6.400 -6.705 -7.616 1.00 0.73 H new ATOM 0 HG3 PRO A 55 7.631 -6.709 -6.369 1.00 0.73 H new ATOM 0 HD2 PRO A 55 5.816 -8.753 -6.558 1.00 0.62 H new ATOM 0 HD3 PRO A 55 6.442 -8.244 -5.003 1.00 0.62 H new ATOM 841 N ARG A 56 3.529 -6.120 -7.808 1.00 0.74 N ATOM 842 CA ARG A 56 2.598 -5.855 -8.905 1.00 0.77 C ATOM 843 C ARG A 56 1.146 -5.898 -8.427 1.00 0.70 C ATOM 844 O ARG A 56 0.377 -4.984 -8.712 1.00 0.69 O ATOM 845 CB ARG A 56 2.850 -6.786 -10.110 1.00 0.92 C ATOM 846 CG ARG A 56 3.091 -8.276 -9.790 1.00 2.10 C ATOM 847 CD ARG A 56 1.888 -9.176 -10.101 1.00 3.36 C ATOM 848 NE ARG A 56 1.934 -10.384 -9.261 1.00 5.37 N ATOM 849 CZ ARG A 56 2.482 -11.578 -9.504 1.00 6.66 C ATOM 850 NH1 ARG A 56 2.968 -11.862 -10.716 1.00 6.39 N ATOM 851 NH2 ARG A 56 2.558 -12.473 -8.516 1.00 8.61 N ATOM 0 H ARG A 56 4.257 -6.792 -8.052 1.00 0.74 H new ATOM 0 HA ARG A 56 2.785 -4.840 -9.257 1.00 0.77 H new ATOM 0 HB2 ARG A 56 1.994 -6.715 -10.781 1.00 0.92 H new ATOM 0 HB3 ARG A 56 3.715 -6.410 -10.657 1.00 0.92 H new ATOM 0 HG2 ARG A 56 3.952 -8.626 -10.359 1.00 2.10 H new ATOM 0 HG3 ARG A 56 3.345 -8.375 -8.735 1.00 2.10 H new ATOM 0 HD2 ARG A 56 0.960 -8.633 -9.921 1.00 3.36 H new ATOM 0 HD3 ARG A 56 1.895 -9.455 -11.155 1.00 3.36 H new ATOM 0 HE ARG A 56 1.477 -10.296 -8.353 1.00 5.37 H new ATOM 0 HH11 ARG A 56 2.921 -11.166 -11.460 1.00 6.39 H new ATOM 0 HH12 ARG A 56 3.386 -12.775 -10.897 1.00 6.39 H new ATOM 0 HH21 ARG A 56 2.200 -12.241 -7.589 1.00 8.61 H new ATOM 0 HH22 ARG A 56 2.974 -13.388 -8.688 1.00 8.61 H new ATOM 865 N ASP A 57 0.786 -6.945 -7.685 1.00 0.70 N ATOM 866 CA ASP A 57 -0.543 -7.155 -7.132 1.00 0.67 C ATOM 867 C ASP A 57 -0.949 -5.918 -6.341 1.00 0.63 C ATOM 868 O ASP A 57 -1.972 -5.298 -6.612 1.00 0.59 O ATOM 869 CB ASP A 57 -0.559 -8.391 -6.211 1.00 0.71 C ATOM 870 CG ASP A 57 0.258 -9.548 -6.753 1.00 2.93 C ATOM 871 OD1 ASP A 57 1.488 -9.355 -6.883 1.00 4.62 O ATOM 872 OD2 ASP A 57 -0.320 -10.590 -7.118 1.00 3.72 O ATOM 0 H ASP A 57 1.437 -7.693 -7.447 1.00 0.70 H new ATOM 0 HA ASP A 57 -1.247 -7.326 -7.946 1.00 0.67 H new ATOM 0 HB2 ASP A 57 -0.175 -8.111 -5.230 1.00 0.71 H new ATOM 0 HB3 ASP A 57 -1.589 -8.717 -6.068 1.00 0.71 H new ATOM 877 N ILE A 58 -0.124 -5.560 -5.357 1.00 0.63 N ATOM 878 CA ILE A 58 -0.361 -4.431 -4.472 1.00 0.57 C ATOM 879 C ILE A 58 -0.506 -3.153 -5.287 1.00 0.56 C ATOM 880 O ILE A 58 -1.530 -2.484 -5.180 1.00 0.55 O ATOM 881 CB ILE A 58 0.759 -4.368 -3.421 1.00 0.61 C ATOM 882 CG1 ILE A 58 0.567 -5.533 -2.436 1.00 0.64 C ATOM 883 CG2 ILE A 58 0.765 -3.030 -2.670 1.00 0.60 C ATOM 884 CD1 ILE A 58 1.863 -5.884 -1.710 1.00 0.85 C ATOM 0 H ILE A 58 0.742 -6.059 -5.153 1.00 0.63 H new ATOM 0 HA ILE A 58 -1.299 -4.553 -3.930 1.00 0.57 H new ATOM 0 HB ILE A 58 1.721 -4.451 -3.926 1.00 0.61 H new ATOM 0 HG12 ILE A 58 -0.198 -5.269 -1.706 1.00 0.64 H new ATOM 0 HG13 ILE A 58 0.204 -6.408 -2.975 1.00 0.64 H new ATOM 0 HG21 ILE A 58 1.572 -3.028 -1.937 1.00 0.60 H new ATOM 0 HG22 ILE A 58 0.916 -2.216 -3.379 1.00 0.60 H new ATOM 0 HG23 ILE A 58 -0.189 -2.895 -2.160 1.00 0.60 H new ATOM 0 HD11 ILE A 58 1.683 -6.712 -1.024 1.00 0.85 H new ATOM 0 HD12 ILE A 58 2.621 -6.174 -2.438 1.00 0.85 H new ATOM 0 HD13 ILE A 58 2.212 -5.017 -1.149 1.00 0.85 H new ATOM 896 N ILE A 59 0.487 -2.818 -6.110 1.00 0.59 N ATOM 897 CA ILE A 59 0.453 -1.623 -6.943 1.00 0.60 C ATOM 898 C ILE A 59 -0.871 -1.579 -7.719 1.00 0.54 C ATOM 899 O ILE A 59 -1.600 -0.591 -7.658 1.00 0.53 O ATOM 900 CB ILE A 59 1.704 -1.596 -7.846 1.00 0.67 C ATOM 901 CG1 ILE A 59 2.978 -1.365 -7.009 1.00 0.92 C ATOM 902 CG2 ILE A 59 1.598 -0.530 -8.946 1.00 0.91 C ATOM 903 CD1 ILE A 59 4.250 -1.810 -7.738 1.00 1.40 C ATOM 0 H ILE A 59 1.338 -3.370 -6.216 1.00 0.59 H new ATOM 0 HA ILE A 59 0.486 -0.718 -6.336 1.00 0.60 H new ATOM 0 HB ILE A 59 1.767 -2.570 -8.331 1.00 0.67 H new ATOM 0 HG12 ILE A 59 3.058 -0.307 -6.760 1.00 0.92 H new ATOM 0 HG13 ILE A 59 2.894 -1.909 -6.068 1.00 0.92 H new ATOM 0 HG21 ILE A 59 2.500 -0.547 -9.557 1.00 0.91 H new ATOM 0 HG22 ILE A 59 0.731 -0.739 -9.573 1.00 0.91 H new ATOM 0 HG23 ILE A 59 1.487 0.454 -8.490 1.00 0.91 H new ATOM 0 HD11 ILE A 59 5.117 -1.625 -7.104 1.00 1.40 H new ATOM 0 HD12 ILE A 59 4.186 -2.874 -7.964 1.00 1.40 H new ATOM 0 HD13 ILE A 59 4.353 -1.248 -8.666 1.00 1.40 H new ATOM 915 N HIS A 60 -1.213 -2.666 -8.407 1.00 0.53 N ATOM 916 CA HIS A 60 -2.421 -2.758 -9.216 1.00 0.54 C ATOM 917 C HIS A 60 -3.679 -2.633 -8.345 1.00 0.49 C ATOM 918 O HIS A 60 -4.669 -2.025 -8.745 1.00 0.49 O ATOM 919 CB HIS A 60 -2.378 -4.078 -9.989 1.00 0.66 C ATOM 920 CG HIS A 60 -3.381 -4.213 -11.103 1.00 1.80 C ATOM 921 ND1 HIS A 60 -4.308 -3.280 -11.523 1.00 3.08 N ATOM 922 CD2 HIS A 60 -3.428 -5.265 -11.977 1.00 2.87 C ATOM 923 CE1 HIS A 60 -4.913 -3.782 -12.612 1.00 4.42 C ATOM 924 NE2 HIS A 60 -4.413 -4.989 -12.929 1.00 4.38 N ATOM 0 H HIS A 60 -0.651 -3.517 -8.417 1.00 0.53 H new ATOM 0 HA HIS A 60 -2.465 -1.932 -9.926 1.00 0.54 H new ATOM 0 HB2 HIS A 60 -1.379 -4.201 -10.407 1.00 0.66 H new ATOM 0 HB3 HIS A 60 -2.532 -4.896 -9.285 1.00 0.66 H new ATOM 0 HD1 HIS A 60 -4.498 -2.377 -11.087 1.00 3.08 H new ATOM 0 HD2 HIS A 60 -2.813 -6.152 -11.938 1.00 2.87 H new ATOM 0 HE1 HIS A 60 -5.698 -3.282 -13.161 1.00 4.42 H new ATOM 932 N THR A 61 -3.649 -3.188 -7.134 1.00 0.51 N ATOM 933 CA THR A 61 -4.759 -3.063 -6.204 1.00 0.52 C ATOM 934 C THR A 61 -4.928 -1.592 -5.810 1.00 0.45 C ATOM 935 O THR A 61 -6.017 -1.041 -5.942 1.00 0.47 O ATOM 936 CB THR A 61 -4.562 -4.005 -5.005 1.00 0.60 C ATOM 937 OG1 THR A 61 -4.445 -5.332 -5.469 1.00 0.74 O ATOM 938 CG2 THR A 61 -5.749 -3.983 -4.040 1.00 0.69 C ATOM 0 H THR A 61 -2.862 -3.730 -6.777 1.00 0.51 H new ATOM 0 HA THR A 61 -5.690 -3.374 -6.677 1.00 0.52 H new ATOM 0 HB THR A 61 -3.668 -3.663 -4.484 1.00 0.60 H new ATOM 0 HG1 THR A 61 -3.560 -5.462 -5.869 1.00 0.74 H new ATOM 0 HG21 THR A 61 -5.558 -4.666 -3.212 1.00 0.69 H new ATOM 0 HG22 THR A 61 -5.885 -2.973 -3.653 1.00 0.69 H new ATOM 0 HG23 THR A 61 -6.651 -4.295 -4.566 1.00 0.69 H new ATOM 946 N ILE A 62 -3.871 -0.934 -5.330 1.00 0.42 N ATOM 947 CA ILE A 62 -3.988 0.426 -4.813 1.00 0.40 C ATOM 948 C ILE A 62 -4.288 1.423 -5.940 1.00 0.43 C ATOM 949 O ILE A 62 -5.042 2.375 -5.728 1.00 0.48 O ATOM 950 CB ILE A 62 -2.782 0.797 -3.929 1.00 0.53 C ATOM 951 CG1 ILE A 62 -2.500 -0.252 -2.834 1.00 0.59 C ATOM 952 CG2 ILE A 62 -3.038 2.146 -3.247 1.00 0.79 C ATOM 953 CD1 ILE A 62 -3.756 -0.740 -2.106 1.00 1.59 C ATOM 0 H ILE A 62 -2.928 -1.321 -5.290 1.00 0.42 H new ATOM 0 HA ILE A 62 -4.850 0.479 -4.148 1.00 0.40 H new ATOM 0 HB ILE A 62 -1.914 0.843 -4.587 1.00 0.53 H new ATOM 0 HG12 ILE A 62 -1.997 -1.108 -3.285 1.00 0.59 H new ATOM 0 HG13 ILE A 62 -1.811 0.174 -2.105 1.00 0.59 H new ATOM 0 HG21 ILE A 62 -2.183 2.406 -2.622 1.00 0.79 H new ATOM 0 HG22 ILE A 62 -3.181 2.916 -4.005 1.00 0.79 H new ATOM 0 HG23 ILE A 62 -3.932 2.077 -2.628 1.00 0.79 H new ATOM 0 HD11 ILE A 62 -3.477 -1.475 -1.351 1.00 1.59 H new ATOM 0 HD12 ILE A 62 -4.249 0.105 -1.625 1.00 1.59 H new ATOM 0 HD13 ILE A 62 -4.438 -1.197 -2.823 1.00 1.59 H new ATOM 965 N GLU A 63 -3.764 1.173 -7.144 1.00 0.44 N ATOM 966 CA GLU A 63 -4.227 1.781 -8.373 1.00 0.47 C ATOM 967 C GLU A 63 -5.748 1.644 -8.459 1.00 0.50 C ATOM 968 O GLU A 63 -6.467 2.641 -8.428 1.00 0.60 O ATOM 969 CB GLU A 63 -3.475 1.080 -9.508 1.00 0.53 C ATOM 970 CG GLU A 63 -3.946 1.437 -10.912 1.00 0.74 C ATOM 971 CD GLU A 63 -5.086 0.544 -11.390 1.00 2.11 C ATOM 972 OE1 GLU A 63 -4.864 -0.687 -11.420 1.00 2.88 O ATOM 973 OE2 GLU A 63 -6.162 1.098 -11.694 1.00 3.33 O ATOM 0 H GLU A 63 -2.988 0.525 -7.283 1.00 0.44 H new ATOM 0 HA GLU A 63 -4.024 2.850 -8.430 1.00 0.47 H new ATOM 0 HB2 GLU A 63 -2.415 1.322 -9.425 1.00 0.53 H new ATOM 0 HB3 GLU A 63 -3.568 0.002 -9.373 1.00 0.53 H new ATOM 0 HG2 GLU A 63 -4.272 2.477 -10.929 1.00 0.74 H new ATOM 0 HG3 GLU A 63 -3.109 1.354 -11.605 1.00 0.74 H new ATOM 980 N SER A 64 -6.228 0.400 -8.499 1.00 0.51 N ATOM 981 CA SER A 64 -7.644 0.082 -8.637 1.00 0.58 C ATOM 982 C SER A 64 -8.516 0.755 -7.561 1.00 0.53 C ATOM 983 O SER A 64 -9.606 1.234 -7.869 1.00 0.57 O ATOM 984 CB SER A 64 -7.826 -1.437 -8.695 1.00 0.67 C ATOM 985 OG SER A 64 -9.163 -1.784 -9.002 1.00 1.03 O ATOM 0 H SER A 64 -5.632 -0.425 -8.435 1.00 0.51 H new ATOM 0 HA SER A 64 -8.000 0.502 -9.578 1.00 0.58 H new ATOM 0 HB2 SER A 64 -7.157 -1.857 -9.447 1.00 0.67 H new ATOM 0 HB3 SER A 64 -7.545 -1.876 -7.738 1.00 0.67 H new ATOM 0 HG SER A 64 -9.249 -2.760 -9.034 1.00 1.03 H new ATOM 991 N LEU A 65 -8.053 0.844 -6.304 1.00 0.50 N ATOM 992 CA LEU A 65 -8.782 1.564 -5.254 1.00 0.50 C ATOM 993 C LEU A 65 -8.965 3.058 -5.570 1.00 0.52 C ATOM 994 O LEU A 65 -9.764 3.716 -4.899 1.00 0.65 O ATOM 995 CB LEU A 65 -8.111 1.432 -3.874 1.00 0.59 C ATOM 996 CG LEU A 65 -8.444 0.196 -3.019 1.00 0.82 C ATOM 997 CD1 LEU A 65 -9.940 -0.113 -2.901 1.00 2.22 C ATOM 998 CD2 LEU A 65 -7.717 -1.050 -3.495 1.00 2.18 C ATOM 0 H LEU A 65 -7.177 0.425 -5.992 1.00 0.50 H new ATOM 0 HA LEU A 65 -9.762 1.088 -5.224 1.00 0.50 H new ATOM 0 HB2 LEU A 65 -7.032 1.451 -4.025 1.00 0.59 H new ATOM 0 HB3 LEU A 65 -8.367 2.318 -3.293 1.00 0.59 H new ATOM 0 HG LEU A 65 -8.091 0.471 -2.025 1.00 0.82 H new ATOM 0 HD11 LEU A 65 -10.081 -0.999 -2.282 1.00 2.22 H new ATOM 0 HD12 LEU A 65 -10.452 0.734 -2.444 1.00 2.22 H new ATOM 0 HD13 LEU A 65 -10.353 -0.295 -3.893 1.00 2.22 H new ATOM 0 HD21 LEU A 65 -7.986 -1.893 -2.859 1.00 2.18 H new ATOM 0 HD22 LEU A 65 -8.002 -1.267 -4.525 1.00 2.18 H new ATOM 0 HD23 LEU A 65 -6.641 -0.885 -3.443 1.00 2.18 H new ATOM 1010 N GLY A 66 -8.235 3.608 -6.540 1.00 0.57 N ATOM 1011 CA GLY A 66 -8.380 4.980 -6.997 1.00 0.59 C ATOM 1012 C GLY A 66 -7.355 5.890 -6.331 1.00 0.50 C ATOM 1013 O GLY A 66 -7.703 6.975 -5.867 1.00 0.59 O ATOM 0 H GLY A 66 -7.509 3.094 -7.039 1.00 0.57 H new ATOM 0 HA2 GLY A 66 -8.259 5.021 -8.079 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -9.386 5.336 -6.775 1.00 0.59 H new ATOM 1017 N PHE A 67 -6.092 5.456 -6.307 1.00 0.43 N ATOM 1018 CA PHE A 67 -4.957 6.261 -5.871 1.00 0.44 C ATOM 1019 C PHE A 67 -3.811 6.053 -6.859 1.00 0.50 C ATOM 1020 O PHE A 67 -3.923 5.186 -7.721 1.00 0.67 O ATOM 1021 CB PHE A 67 -4.533 5.837 -4.466 1.00 0.49 C ATOM 1022 CG PHE A 67 -5.662 5.767 -3.459 1.00 0.48 C ATOM 1023 CD1 PHE A 67 -6.267 6.954 -3.020 1.00 1.94 C ATOM 1024 CD2 PHE A 67 -6.142 4.528 -3.003 1.00 1.98 C ATOM 1025 CE1 PHE A 67 -7.294 6.913 -2.066 1.00 1.86 C ATOM 1026 CE2 PHE A 67 -7.138 4.485 -2.012 1.00 2.07 C ATOM 1027 CZ PHE A 67 -7.693 5.681 -1.524 1.00 0.54 C ATOM 0 H PHE A 67 -5.829 4.514 -6.597 1.00 0.43 H new ATOM 0 HA PHE A 67 -5.230 7.316 -5.842 1.00 0.44 H new ATOM 0 HB2 PHE A 67 -4.056 4.859 -4.525 1.00 0.49 H new ATOM 0 HB3 PHE A 67 -3.782 6.537 -4.101 1.00 0.49 H new ATOM 0 HD1 PHE A 67 -5.941 7.903 -3.418 1.00 1.94 H new ATOM 0 HD2 PHE A 67 -5.747 3.610 -3.413 1.00 1.98 H new ATOM 0 HE1 PHE A 67 -7.776 7.826 -1.749 1.00 1.86 H new ATOM 0 HE2 PHE A 67 -7.476 3.535 -1.626 1.00 2.07 H new ATOM 0 HZ PHE A 67 -8.427 5.652 -0.732 1.00 0.54 H new ATOM 1037 N GLU A 68 -2.721 6.823 -6.742 1.00 0.49 N ATOM 1038 CA GLU A 68 -1.624 6.786 -7.709 1.00 0.56 C ATOM 1039 C GLU A 68 -0.330 6.201 -7.129 1.00 0.55 C ATOM 1040 O GLU A 68 0.502 6.971 -6.659 1.00 0.63 O ATOM 1041 CB GLU A 68 -1.445 8.196 -8.293 1.00 0.71 C ATOM 1042 CG GLU A 68 -0.676 8.248 -9.621 1.00 1.88 C ATOM 1043 CD GLU A 68 0.834 8.299 -9.432 1.00 3.01 C ATOM 1044 OE1 GLU A 68 1.323 9.428 -9.191 1.00 3.50 O ATOM 1045 OE2 GLU A 68 1.474 7.237 -9.556 1.00 4.27 O ATOM 0 H GLU A 68 -2.578 7.484 -5.978 1.00 0.49 H new ATOM 0 HA GLU A 68 -1.881 6.099 -8.515 1.00 0.56 H new ATOM 0 HB2 GLU A 68 -2.429 8.641 -8.441 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -0.923 8.814 -7.562 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -0.933 7.373 -10.218 1.00 1.88 H new ATOM 0 HG3 GLU A 68 -0.996 9.124 -10.186 1.00 1.88 H new ATOM 1052 N PRO A 69 -0.156 4.865 -7.123 1.00 0.56 N ATOM 1053 CA PRO A 69 0.993 4.203 -6.517 1.00 0.63 C ATOM 1054 C PRO A 69 2.314 4.463 -7.241 1.00 0.69 C ATOM 1055 O PRO A 69 2.840 3.606 -7.951 1.00 1.05 O ATOM 1056 CB PRO A 69 0.630 2.718 -6.421 1.00 0.70 C ATOM 1057 CG PRO A 69 -0.457 2.524 -7.466 1.00 0.66 C ATOM 1058 CD PRO A 69 -1.150 3.879 -7.525 1.00 0.58 C ATOM 0 HA PRO A 69 1.186 4.617 -5.527 1.00 0.63 H new ATOM 0 HB2 PRO A 69 1.493 2.084 -6.624 1.00 0.70 H new ATOM 0 HB3 PRO A 69 0.273 2.460 -5.424 1.00 0.70 H new ATOM 0 HG2 PRO A 69 -0.037 2.247 -8.433 1.00 0.66 H new ATOM 0 HG3 PRO A 69 -1.150 1.732 -7.180 1.00 0.66 H new ATOM 0 HD2 PRO A 69 -1.517 4.085 -8.531 1.00 0.58 H new ATOM 0 HD3 PRO A 69 -2.013 3.904 -6.860 1.00 0.58 H new ATOM 1066 N SER A 70 2.901 5.623 -6.964 1.00 0.90 N ATOM 1067 CA SER A 70 4.252 5.949 -7.375 1.00 1.05 C ATOM 1068 C SER A 70 5.255 5.239 -6.459 1.00 0.95 C ATOM 1069 O SER A 70 5.264 5.435 -5.244 1.00 1.03 O ATOM 1070 CB SER A 70 4.431 7.469 -7.415 1.00 1.23 C ATOM 1071 OG SER A 70 4.165 8.085 -6.168 1.00 2.54 O ATOM 0 H SER A 70 2.442 6.369 -6.441 1.00 0.90 H new ATOM 0 HA SER A 70 4.442 5.589 -8.386 1.00 1.05 H new ATOM 0 HB2 SER A 70 5.451 7.702 -7.720 1.00 1.23 H new ATOM 0 HB3 SER A 70 3.768 7.889 -8.171 1.00 1.23 H new ATOM 0 HG SER A 70 3.579 7.507 -5.636 1.00 2.54 H new ATOM 1077 N LEU A 71 6.096 4.384 -7.041 1.00 1.02 N ATOM 1078 CA LEU A 71 7.130 3.654 -6.322 1.00 1.03 C ATOM 1079 C LEU A 71 8.154 4.658 -5.781 1.00 1.03 C ATOM 1080 O LEU A 71 8.962 5.188 -6.541 1.00 1.54 O ATOM 1081 CB LEU A 71 7.761 2.621 -7.269 1.00 1.35 C ATOM 1082 CG LEU A 71 8.332 1.408 -6.524 1.00 1.77 C ATOM 1083 CD1 LEU A 71 8.907 0.418 -7.544 1.00 2.71 C ATOM 1084 CD2 LEU A 71 9.414 1.777 -5.503 1.00 2.86 C ATOM 0 H LEU A 71 6.074 4.179 -8.040 1.00 1.02 H new ATOM 0 HA LEU A 71 6.717 3.110 -5.472 1.00 1.03 H new ATOM 0 HB2 LEU A 71 7.011 2.283 -7.984 1.00 1.35 H new ATOM 0 HB3 LEU A 71 8.556 3.098 -7.843 1.00 1.35 H new ATOM 0 HG LEU A 71 7.511 0.961 -5.963 1.00 1.77 H new ATOM 0 HD11 LEU A 71 9.315 -0.447 -7.021 1.00 2.71 H new ATOM 0 HD12 LEU A 71 8.117 0.094 -8.221 1.00 2.71 H new ATOM 0 HD13 LEU A 71 9.698 0.903 -8.115 1.00 2.71 H new ATOM 0 HD21 LEU A 71 9.775 0.873 -5.012 1.00 2.86 H new ATOM 0 HD22 LEU A 71 10.243 2.268 -6.013 1.00 2.86 H new ATOM 0 HD23 LEU A 71 8.995 2.452 -4.757 1.00 2.86 H new