USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 909 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 71 MET CE :methyl -108:sc= -0.286 (180deg=-1.19) USER MOD Set 1.2: A 73 CYS SG : rot 27:sc= 0.18 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.688 K(o=-0.012,f=-1.8) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.7 K(o=-0.012,f=-1.8!) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 39 HIS : no HD1:sc=-0.000867 X(o=-0.00087,f=0.39) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= -0.105 (180deg=-1.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.433 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0232) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= 0.369 (180deg=-0.908) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0.0644 USER MOD Single : A 41 LYS NZ :NH3+ -140:sc= -0.668 (180deg=-1.88!) USER MOD Single : A 43 THR OG1 : rot 150:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.749 K(o=-0.75,f=-5.4!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0.0025) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00998) USER MOD Single : A 48 THR OG1 : rot -70:sc= -0.463 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.263 F(o=-0.99,f=-0.26) USER MOD Single : A 70 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.64) USER MOD Single : A 74 THR OG1 : rot 7:sc= -1.29! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.13 K(o=1.1,f=-2.3!) USER MOD Single : A 80 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.3!) USER MOD Single : A 85 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0371) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -98:sc= -0.173 (180deg=-1.39) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -58:sc= 0.241 USER MOD Single : A 109 SER OG : rot 68:sc= 0.728 USER MOD Single : A 116 HIS : no HE2:sc= -2.35 K(o=-2.3,f=-4.7!) USER MOD Single : A 117 LYS NZ :NH3+ 157:sc=-9.42e-05 (180deg=-0.52) USER MOD Single : A 122 LYS NZ :NH3+ -114:sc= 0.297 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.805 5.595 -11.892 1.00 0.00 N ATOM 97 CA ALA A 14 -0.506 6.142 -10.575 1.00 0.00 C ATOM 98 C ALA A 14 0.276 7.447 -10.687 1.00 0.00 C ATOM 99 O ALA A 14 1.159 7.583 -11.534 1.00 0.00 O ATOM 100 CB ALA A 14 0.271 5.129 -9.746 1.00 0.00 C ATOM 0 HA ALA A 14 -1.451 6.356 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.487 5.551 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.323 4.223 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.206 4.886 -10.251 1.00 0.00 H new ATOM 106 N PHE A 15 -0.055 8.405 -9.827 1.00 0.00 N ATOM 107 CA PHE A 15 0.616 9.700 -9.831 1.00 0.00 C ATOM 108 C PHE A 15 1.846 9.678 -8.929 1.00 0.00 C ATOM 109 O PHE A 15 2.914 10.161 -9.306 1.00 0.00 O ATOM 110 CB PHE A 15 -0.347 10.798 -9.373 1.00 0.00 C ATOM 111 CG PHE A 15 -1.148 10.424 -8.158 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.616 10.576 -6.888 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.432 9.921 -8.287 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.350 10.234 -5.768 1.00 0.00 C ATOM 115 CE2 PHE A 15 -3.171 9.577 -7.170 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.629 9.733 -5.910 1.00 0.00 C ATOM 0 H PHE A 15 -0.783 8.309 -9.119 1.00 0.00 H new ATOM 0 HA PHE A 15 0.939 9.911 -10.850 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.222 11.703 -9.159 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.029 11.036 -10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.384 10.966 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.861 9.796 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.924 10.358 -4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.172 9.187 -7.283 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.204 9.464 -5.037 1.00 0.00 H new ATOM 126 N TYR A 16 1.688 9.116 -7.736 1.00 0.00 N ATOM 127 CA TYR A 16 2.784 9.034 -6.778 1.00 0.00 C ATOM 128 C TYR A 16 3.546 7.721 -6.934 1.00 0.00 C ATOM 129 O TYR A 16 2.983 6.640 -6.764 1.00 0.00 O ATOM 130 CB TYR A 16 2.252 9.161 -5.350 1.00 0.00 C ATOM 131 CG TYR A 16 3.335 9.372 -4.317 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.971 10.601 -4.188 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.723 8.342 -3.469 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.961 10.797 -3.245 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.712 8.529 -2.522 1.00 0.00 C ATOM 136 CZ TYR A 16 5.328 9.759 -2.415 1.00 0.00 C ATOM 137 OH TYR A 16 6.314 9.950 -1.474 1.00 0.00 O ATOM 0 H TYR A 16 0.811 8.710 -7.409 1.00 0.00 H new ATOM 0 HA TYR A 16 3.470 9.858 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.551 9.995 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.692 8.260 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.686 11.417 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.243 7.378 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.445 11.758 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.001 7.718 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 16 6.451 9.120 -0.971 1.00 0.00 H new ATOM 147 N SER A 17 4.831 7.825 -7.258 1.00 0.00 N ATOM 148 CA SER A 17 5.671 6.647 -7.439 1.00 0.00 C ATOM 149 C SER A 17 7.017 6.827 -6.744 1.00 0.00 C ATOM 150 O SER A 17 7.764 7.758 -7.044 1.00 0.00 O ATOM 151 CB SER A 17 5.886 6.373 -8.929 1.00 0.00 C ATOM 152 OG SER A 17 6.939 5.446 -9.130 1.00 0.00 O ATOM 0 H SER A 17 5.313 8.713 -7.400 1.00 0.00 H new ATOM 0 HA SER A 17 5.161 5.795 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.967 5.984 -9.367 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.115 7.306 -9.444 1.00 0.00 H new ATOM 0 HG SER A 17 7.056 5.286 -10.090 1.00 0.00 H new ATOM 158 N LYS A 18 7.319 5.928 -5.813 1.00 0.00 N ATOM 159 CA LYS A 18 8.575 5.985 -5.075 1.00 0.00 C ATOM 160 C LYS A 18 8.961 4.605 -4.552 1.00 0.00 C ATOM 161 O LYS A 18 8.112 3.848 -4.081 1.00 0.00 O ATOM 162 CB LYS A 18 8.461 6.970 -3.909 1.00 0.00 C ATOM 163 CG LYS A 18 9.730 7.083 -3.082 1.00 0.00 C ATOM 164 CD LYS A 18 10.839 7.778 -3.854 1.00 0.00 C ATOM 165 CE LYS A 18 10.771 9.288 -3.690 1.00 0.00 C ATOM 166 NZ LYS A 18 9.882 9.917 -4.706 1.00 0.00 N ATOM 0 H LYS A 18 6.711 5.152 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 18 9.353 6.327 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.203 7.954 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.641 6.660 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.521 7.637 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.061 6.088 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.807 7.417 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.764 7.522 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.408 9.529 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.773 9.708 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.333 10.778 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.719 9.248 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.973 10.165 -4.266 1.00 0.00 H new ATOM 180 N LYS A 19 10.248 4.284 -4.636 1.00 0.00 N ATOM 181 CA LYS A 19 10.748 2.996 -4.169 1.00 0.00 C ATOM 182 C LYS A 19 10.676 2.904 -2.648 1.00 0.00 C ATOM 183 O LYS A 19 10.874 3.897 -1.947 1.00 0.00 O ATOM 184 CB LYS A 19 12.190 2.786 -4.636 1.00 0.00 C ATOM 185 CG LYS A 19 12.298 2.177 -6.023 1.00 0.00 C ATOM 186 CD LYS A 19 13.557 1.338 -6.167 1.00 0.00 C ATOM 187 CE LYS A 19 13.323 -0.098 -5.724 1.00 0.00 C ATOM 188 NZ LYS A 19 14.584 -0.751 -5.273 1.00 0.00 N ATOM 0 H LYS A 19 10.964 4.899 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 19 10.118 2.214 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.709 3.745 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.703 2.140 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.423 1.558 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.301 2.970 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.887 1.350 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.358 1.777 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.595 -0.114 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.894 -0.667 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.383 -1.728 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.270 -0.759 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.981 -0.223 -4.470 1.00 0.00 H new ATOM 202 N CYS A 20 10.393 1.707 -2.145 1.00 0.00 N ATOM 203 CA CYS A 20 10.296 1.486 -0.707 1.00 0.00 C ATOM 204 C CYS A 20 10.325 -0.004 -0.383 1.00 0.00 C ATOM 205 O CYS A 20 10.219 -0.847 -1.275 1.00 0.00 O ATOM 206 CB CYS A 20 9.015 2.115 -0.158 1.00 0.00 C ATOM 207 SG CYS A 20 7.499 1.478 -0.911 1.00 0.00 S ATOM 0 H CYS A 20 10.227 0.875 -2.712 1.00 0.00 H new ATOM 0 HA CYS A 20 11.156 1.959 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.972 1.946 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.058 3.193 -0.310 1.00 0.00 H new ATOM 0 HG CYS A 20 6.470 2.068 -0.380 1.00 0.00 H new ATOM 213 N LYS A 21 10.470 -0.323 0.898 1.00 0.00 N ATOM 214 CA LYS A 21 10.513 -1.712 1.342 1.00 0.00 C ATOM 215 C LYS A 21 9.331 -2.029 2.252 1.00 0.00 C ATOM 216 O LYS A 21 9.108 -1.352 3.257 1.00 0.00 O ATOM 217 CB LYS A 21 11.825 -1.994 2.076 1.00 0.00 C ATOM 218 CG LYS A 21 12.942 -2.471 1.163 1.00 0.00 C ATOM 219 CD LYS A 21 14.300 -2.355 1.836 1.00 0.00 C ATOM 220 CE LYS A 21 15.294 -3.351 1.260 1.00 0.00 C ATOM 221 NZ LYS A 21 15.050 -4.731 1.763 1.00 0.00 N ATOM 0 H LYS A 21 10.560 0.362 1.648 1.00 0.00 H new ATOM 0 HA LYS A 21 10.452 -2.351 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.148 -1.087 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.648 -2.747 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.763 -3.508 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.939 -1.884 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.684 -1.343 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.192 -2.525 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.227 -3.344 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.307 -3.044 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.842 -5.346 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.971 -4.714 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.167 -5.098 1.355 1.00 0.00 H new ATOM 235 N LEU A 22 8.576 -3.063 1.895 1.00 0.00 N ATOM 236 CA LEU A 22 7.417 -3.471 2.681 1.00 0.00 C ATOM 237 C LEU A 22 7.828 -4.412 3.809 1.00 0.00 C ATOM 238 O LEU A 22 8.494 -5.421 3.578 1.00 0.00 O ATOM 239 CB LEU A 22 6.382 -4.154 1.784 1.00 0.00 C ATOM 240 CG LEU A 22 5.446 -3.224 1.012 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.769 -3.972 -0.126 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.409 -2.616 1.945 1.00 0.00 C ATOM 0 H LEU A 22 8.746 -3.634 1.067 1.00 0.00 H new ATOM 0 HA LEU A 22 6.975 -2.577 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.910 -4.782 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.775 -4.816 2.402 1.00 0.00 H new ATOM 0 HG LEU A 22 6.040 -2.416 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.107 -3.294 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.526 -4.358 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.189 -4.801 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.752 -1.957 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.820 -3.411 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.912 -2.044 2.725 1.00 0.00 H new ATOM 254 N PHE A 23 7.425 -4.075 5.030 1.00 0.00 N ATOM 255 CA PHE A 23 7.750 -4.890 6.194 1.00 0.00 C ATOM 256 C PHE A 23 6.491 -5.245 6.979 1.00 0.00 C ATOM 257 O PHE A 23 5.722 -4.366 7.370 1.00 0.00 O ATOM 258 CB PHE A 23 8.738 -4.152 7.100 1.00 0.00 C ATOM 259 CG PHE A 23 10.059 -3.869 6.442 1.00 0.00 C ATOM 260 CD1 PHE A 23 11.095 -4.785 6.517 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.263 -2.687 5.749 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.311 -4.528 5.912 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.477 -2.425 5.142 1.00 0.00 C ATOM 264 CZ PHE A 23 12.502 -3.346 5.225 1.00 0.00 C ATOM 0 H PHE A 23 6.873 -3.243 5.238 1.00 0.00 H new ATOM 0 HA PHE A 23 8.210 -5.814 5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.292 -3.211 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.908 -4.746 7.998 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.951 -5.711 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.465 -1.962 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.111 -5.251 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.623 -1.501 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.452 -3.142 4.753 1.00 0.00 H new ATOM 274 N TYR A 24 6.286 -6.537 7.205 1.00 0.00 N ATOM 275 CA TYR A 24 5.119 -7.010 7.941 1.00 0.00 C ATOM 276 C TYR A 24 5.513 -7.505 9.329 1.00 0.00 C ATOM 277 O TYR A 24 6.628 -7.982 9.538 1.00 0.00 O ATOM 278 CB TYR A 24 4.421 -8.129 7.167 1.00 0.00 C ATOM 279 CG TYR A 24 5.295 -9.341 6.935 1.00 0.00 C ATOM 280 CD1 TYR A 24 6.278 -9.336 5.953 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.139 -10.491 7.700 1.00 0.00 C ATOM 282 CE1 TYR A 24 7.078 -10.442 5.737 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.936 -11.600 7.493 1.00 0.00 C ATOM 284 CZ TYR A 24 6.903 -11.571 6.510 1.00 0.00 C ATOM 285 OH TYR A 24 7.699 -12.674 6.300 1.00 0.00 O ATOM 0 H TYR A 24 6.913 -7.277 6.889 1.00 0.00 H new ATOM 0 HA TYR A 24 4.431 -6.173 8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.528 -8.434 7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.089 -7.741 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.419 -8.453 5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.382 -10.518 8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.836 -10.422 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.803 -12.485 8.098 1.00 0.00 H new ATOM 0 HH TYR A 24 7.448 -13.383 6.928 1.00 0.00 H new ATOM 295 N LYS A 25 4.588 -7.388 10.276 1.00 0.00 N ATOM 296 CA LYS A 25 4.835 -7.825 11.645 1.00 0.00 C ATOM 297 C LYS A 25 4.258 -9.216 11.885 1.00 0.00 C ATOM 298 O LYS A 25 3.048 -9.422 11.790 1.00 0.00 O ATOM 299 CB LYS A 25 4.227 -6.830 12.637 1.00 0.00 C ATOM 300 CG LYS A 25 4.706 -7.026 14.065 1.00 0.00 C ATOM 301 CD LYS A 25 6.093 -6.442 14.273 1.00 0.00 C ATOM 302 CE LYS A 25 6.572 -6.639 15.703 1.00 0.00 C ATOM 303 NZ LYS A 25 8.039 -6.420 15.831 1.00 0.00 N ATOM 0 H LYS A 25 3.660 -6.994 10.120 1.00 0.00 H new ATOM 0 HA LYS A 25 5.913 -7.868 11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.469 -5.817 12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.141 -6.921 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.005 -6.554 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.719 -8.090 14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.794 -6.914 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.080 -5.378 14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.043 -5.950 16.361 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.325 -7.648 16.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.472 -7.237 16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.457 -6.308 14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.214 -5.561 16.391 1.00 0.00 H new ATOM 317 N LYS A 26 5.130 -10.168 12.197 1.00 0.00 N ATOM 318 CA LYS A 26 4.708 -11.540 12.454 1.00 0.00 C ATOM 319 C LYS A 26 5.504 -12.148 13.604 1.00 0.00 C ATOM 320 O LYS A 26 6.701 -11.895 13.745 1.00 0.00 O ATOM 321 CB LYS A 26 4.879 -12.392 11.194 1.00 0.00 C ATOM 322 CG LYS A 26 6.324 -12.756 10.898 1.00 0.00 C ATOM 323 CD LYS A 26 6.418 -13.979 10.001 1.00 0.00 C ATOM 324 CE LYS A 26 6.482 -15.263 10.815 1.00 0.00 C ATOM 325 NZ LYS A 26 6.065 -16.448 10.015 1.00 0.00 N ATOM 0 H LYS A 26 6.135 -10.015 12.278 1.00 0.00 H new ATOM 0 HA LYS A 26 3.655 -11.523 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.297 -13.307 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.467 -11.852 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.822 -11.913 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.851 -12.948 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.555 -14.011 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.304 -13.902 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.498 -15.411 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.839 -15.171 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.122 -17.303 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.087 -16.319 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.695 -16.551 9.194 1.00 0.00 H new ATOM 339 N ASP A 27 4.833 -12.952 14.422 1.00 0.00 N ATOM 340 CA ASP A 27 5.479 -13.598 15.558 1.00 0.00 C ATOM 341 C ASP A 27 6.206 -12.575 16.424 1.00 0.00 C ATOM 342 O ASP A 27 7.248 -12.870 17.008 1.00 0.00 O ATOM 343 CB ASP A 27 6.462 -14.666 15.074 1.00 0.00 C ATOM 344 CG ASP A 27 5.762 -15.855 14.446 1.00 0.00 C ATOM 345 OD1 ASP A 27 4.616 -16.148 14.847 1.00 0.00 O ATOM 346 OD2 ASP A 27 6.360 -16.492 13.554 1.00 0.00 O ATOM 0 H ASP A 27 3.842 -13.172 14.319 1.00 0.00 H new ATOM 0 HA ASP A 27 4.706 -14.074 16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.145 -14.225 14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.067 -15.006 15.914 1.00 0.00 H new ATOM 351 N ASN A 28 5.649 -11.370 16.502 1.00 0.00 N ATOM 352 CA ASN A 28 6.246 -10.302 17.296 1.00 0.00 C ATOM 353 C ASN A 28 7.595 -9.883 16.718 1.00 0.00 C ATOM 354 O ASN A 28 8.542 -9.618 17.457 1.00 0.00 O ATOM 355 CB ASN A 28 6.419 -10.753 18.748 1.00 0.00 C ATOM 356 CG ASN A 28 5.112 -11.202 19.373 1.00 0.00 C ATOM 357 OD1 ASN A 28 4.763 -12.381 19.330 1.00 0.00 O ATOM 358 ND2 ASN A 28 4.382 -10.259 19.959 1.00 0.00 N ATOM 0 H ASN A 28 4.786 -11.109 16.025 1.00 0.00 H new ATOM 0 HA ASN A 28 5.575 -9.443 17.267 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.138 -11.571 18.788 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.836 -9.933 19.333 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.493 -10.501 20.397 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.711 -9.293 19.971 1.00 0.00 H new ATOM 365 N GLU A 29 7.672 -9.827 15.392 1.00 0.00 N ATOM 366 CA GLU A 29 8.905 -9.440 14.716 1.00 0.00 C ATOM 367 C GLU A 29 8.607 -8.829 13.349 1.00 0.00 C ATOM 368 O GLU A 29 7.523 -9.015 12.797 1.00 0.00 O ATOM 369 CB GLU A 29 9.826 -10.651 14.556 1.00 0.00 C ATOM 370 CG GLU A 29 10.699 -10.917 15.771 1.00 0.00 C ATOM 371 CD GLU A 29 11.735 -9.833 15.993 1.00 0.00 C ATOM 372 OE1 GLU A 29 12.841 -9.943 15.424 1.00 0.00 O ATOM 373 OE2 GLU A 29 11.440 -8.874 16.737 1.00 0.00 O ATOM 0 H GLU A 29 6.897 -10.044 14.766 1.00 0.00 H new ATOM 0 HA GLU A 29 9.406 -8.690 15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.219 -11.534 14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.465 -10.498 13.686 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.068 -10.998 16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.202 -11.876 15.649 1.00 0.00 H new ATOM 380 N PHE A 30 9.578 -8.100 12.810 1.00 0.00 N ATOM 381 CA PHE A 30 9.421 -7.460 11.509 1.00 0.00 C ATOM 382 C PHE A 30 10.111 -8.271 10.417 1.00 0.00 C ATOM 383 O PHE A 30 11.330 -8.446 10.433 1.00 0.00 O ATOM 384 CB PHE A 30 9.990 -6.040 11.543 1.00 0.00 C ATOM 385 CG PHE A 30 9.017 -5.015 12.050 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.088 -4.440 11.197 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.030 -4.626 13.380 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.191 -3.497 11.661 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.135 -3.684 13.850 1.00 0.00 C ATOM 390 CZ PHE A 30 7.215 -3.118 12.989 1.00 0.00 C ATOM 0 H PHE A 30 10.482 -7.938 13.254 1.00 0.00 H new ATOM 0 HA PHE A 30 8.356 -7.411 11.282 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.879 -6.029 12.174 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.309 -5.761 10.539 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.065 -4.732 10.158 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.748 -5.064 14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.472 -3.057 10.986 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.155 -3.391 14.889 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.516 -2.380 13.354 1.00 0.00 H new ATOM 400 N LYS A 31 9.323 -8.766 9.468 1.00 0.00 N ATOM 401 CA LYS A 31 9.856 -9.559 8.366 1.00 0.00 C ATOM 402 C LYS A 31 9.638 -8.852 7.032 1.00 0.00 C ATOM 403 O LYS A 31 8.548 -8.353 6.755 1.00 0.00 O ATOM 404 CB LYS A 31 9.195 -10.939 8.338 1.00 0.00 C ATOM 405 CG LYS A 31 9.687 -11.871 9.431 1.00 0.00 C ATOM 406 CD LYS A 31 11.011 -12.518 9.058 1.00 0.00 C ATOM 407 CE LYS A 31 10.803 -13.761 8.206 1.00 0.00 C ATOM 408 NZ LYS A 31 12.053 -14.561 8.077 1.00 0.00 N ATOM 0 H LYS A 31 8.312 -8.632 9.440 1.00 0.00 H new ATOM 0 HA LYS A 31 10.928 -9.679 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.116 -10.818 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.379 -11.401 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.802 -11.314 10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.941 -12.645 9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.627 -11.802 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.556 -12.783 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.021 -14.378 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.455 -13.468 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.870 -15.399 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.792 -13.981 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.371 -14.862 9.020 1.00 0.00 H new ATOM 422 N GLU A 32 10.682 -8.815 6.210 1.00 0.00 N ATOM 423 CA GLU A 32 10.603 -8.169 4.905 1.00 0.00 C ATOM 424 C GLU A 32 9.648 -8.921 3.983 1.00 0.00 C ATOM 425 O GLU A 32 9.743 -10.139 3.831 1.00 0.00 O ATOM 426 CB GLU A 32 11.991 -8.091 4.265 1.00 0.00 C ATOM 427 CG GLU A 32 11.967 -7.651 2.811 1.00 0.00 C ATOM 428 CD GLU A 32 11.854 -8.818 1.850 1.00 0.00 C ATOM 429 OE1 GLU A 32 10.748 -9.385 1.731 1.00 0.00 O ATOM 430 OE2 GLU A 32 12.874 -9.165 1.217 1.00 0.00 O ATOM 0 H GLU A 32 11.591 -9.224 6.424 1.00 0.00 H new ATOM 0 HA GLU A 32 10.220 -7.159 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.607 -7.396 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.468 -9.069 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.128 -6.974 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.875 -7.090 2.590 1.00 0.00 H new ATOM 437 N LYS A 33 8.727 -8.186 3.369 1.00 0.00 N ATOM 438 CA LYS A 33 7.753 -8.781 2.461 1.00 0.00 C ATOM 439 C LYS A 33 8.319 -8.885 1.049 1.00 0.00 C ATOM 440 O LYS A 33 8.136 -9.894 0.369 1.00 0.00 O ATOM 441 CB LYS A 33 6.466 -7.953 2.446 1.00 0.00 C ATOM 442 CG LYS A 33 5.447 -8.431 1.427 1.00 0.00 C ATOM 443 CD LYS A 33 4.652 -9.617 1.947 1.00 0.00 C ATOM 444 CE LYS A 33 4.016 -10.403 0.812 1.00 0.00 C ATOM 445 NZ LYS A 33 3.360 -11.649 1.298 1.00 0.00 N ATOM 0 H LYS A 33 8.634 -7.177 3.484 1.00 0.00 H new ATOM 0 HA LYS A 33 7.527 -9.786 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.015 -7.980 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.716 -6.913 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.767 -7.616 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.957 -8.710 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.307 -10.272 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.876 -9.266 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.280 -9.779 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.778 -10.658 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.939 -12.156 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.067 -12.257 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.615 -11.405 1.982 1.00 0.00 H new ATOM 459 N GLY A 34 9.010 -7.836 0.614 1.00 0.00 N ATOM 460 CA GLY A 34 9.594 -7.830 -0.715 1.00 0.00 C ATOM 461 C GLY A 34 9.838 -6.428 -1.236 1.00 0.00 C ATOM 462 O GLY A 34 8.973 -5.558 -1.125 1.00 0.00 O ATOM 0 H GLY A 34 9.176 -6.990 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.537 -8.376 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.933 -8.359 -1.401 1.00 0.00 H new ATOM 466 N ILE A 35 11.019 -6.206 -1.803 1.00 0.00 N ATOM 467 CA ILE A 35 11.374 -4.899 -2.342 1.00 0.00 C ATOM 468 C ILE A 35 10.596 -4.602 -3.619 1.00 0.00 C ATOM 469 O ILE A 35 10.492 -5.447 -4.507 1.00 0.00 O ATOM 470 CB ILE A 35 12.882 -4.803 -2.638 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.693 -5.192 -1.400 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.243 -3.398 -3.095 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.118 -5.591 -1.712 1.00 0.00 C ATOM 0 H ILE A 35 11.746 -6.914 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 35 11.114 -4.162 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 35 13.125 -5.499 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.703 -4.353 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.195 -6.019 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.312 -3.346 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.687 -3.156 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.989 -2.684 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.633 -5.854 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.117 -6.450 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.633 -4.758 -2.190 1.00 0.00 H new ATOM 485 N GLY A 36 10.052 -3.391 -3.707 1.00 0.00 N ATOM 486 CA GLY A 36 9.292 -3.002 -4.880 1.00 0.00 C ATOM 487 C GLY A 36 9.037 -1.509 -4.937 1.00 0.00 C ATOM 488 O GLY A 36 9.685 -0.733 -4.234 1.00 0.00 O ATOM 0 H GLY A 36 10.125 -2.673 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.830 -3.310 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.339 -3.531 -4.883 1.00 0.00 H new ATOM 492 N THR A 37 8.091 -1.104 -5.778 1.00 0.00 N ATOM 493 CA THR A 37 7.753 0.306 -5.926 1.00 0.00 C ATOM 494 C THR A 37 6.276 0.552 -5.638 1.00 0.00 C ATOM 495 O THR A 37 5.417 -0.242 -6.026 1.00 0.00 O ATOM 496 CB THR A 37 8.080 0.816 -7.342 1.00 0.00 C ATOM 497 OG1 THR A 37 9.392 0.391 -7.725 1.00 0.00 O ATOM 498 CG2 THR A 37 7.994 2.334 -7.404 1.00 0.00 C ATOM 0 H THR A 37 7.545 -1.733 -6.367 1.00 0.00 H new ATOM 0 HA THR A 37 8.357 0.853 -5.202 1.00 0.00 H new ATOM 0 HB THR A 37 7.348 0.398 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.655 0.846 -8.552 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.229 2.671 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.985 2.652 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.706 2.768 -6.702 1.00 0.00 H new ATOM 506 N LEU A 38 5.986 1.654 -4.956 1.00 0.00 N ATOM 507 CA LEU A 38 4.612 2.005 -4.617 1.00 0.00 C ATOM 508 C LEU A 38 3.986 2.872 -5.704 1.00 0.00 C ATOM 509 O LEU A 38 4.621 3.794 -6.219 1.00 0.00 O ATOM 510 CB LEU A 38 4.568 2.739 -3.275 1.00 0.00 C ATOM 511 CG LEU A 38 3.185 3.187 -2.800 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.657 4.309 -3.679 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.218 2.012 -2.792 1.00 0.00 C ATOM 0 H LEU A 38 6.685 2.320 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 38 4.037 1.082 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.999 2.089 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.209 3.618 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 38 3.276 3.564 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.672 4.615 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.339 5.158 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.581 3.959 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.239 2.349 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.132 1.605 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.590 1.239 -2.119 1.00 0.00 H new ATOM 525 N HIS A 39 2.738 2.573 -6.048 1.00 0.00 N ATOM 526 CA HIS A 39 2.025 3.327 -7.073 1.00 0.00 C ATOM 527 C HIS A 39 0.600 3.640 -6.625 1.00 0.00 C ATOM 528 O HIS A 39 -0.234 2.743 -6.503 1.00 0.00 O ATOM 529 CB HIS A 39 1.999 2.545 -8.387 1.00 0.00 C ATOM 530 CG HIS A 39 3.350 2.376 -9.009 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.076 3.425 -9.532 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.109 1.269 -9.190 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.221 2.972 -10.009 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.266 1.667 -9.813 1.00 0.00 N ATOM 0 H HIS A 39 2.199 1.814 -5.632 1.00 0.00 H new ATOM 0 HA HIS A 39 2.553 4.268 -7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.565 1.561 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.345 3.057 -9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.852 0.261 -8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.990 3.567 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.036 1.054 -10.081 1.00 0.00 H new ATOM 542 N LEU A 40 0.329 4.918 -6.382 1.00 0.00 N ATOM 543 CA LEU A 40 -0.994 5.349 -5.946 1.00 0.00 C ATOM 544 C LEU A 40 -1.820 5.850 -7.127 1.00 0.00 C ATOM 545 O LEU A 40 -1.579 6.938 -7.651 1.00 0.00 O ATOM 546 CB LEU A 40 -0.872 6.451 -4.892 1.00 0.00 C ATOM 547 CG LEU A 40 -0.758 5.981 -3.441 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.220 7.097 -2.559 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.107 5.498 -2.929 1.00 0.00 C ATOM 0 H LEU A 40 1.008 5.673 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.502 4.490 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.004 7.056 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.741 7.103 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.058 5.147 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.146 6.744 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.767 7.396 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.895 7.952 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.007 5.167 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.829 6.313 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.453 4.667 -3.544 1.00 0.00 H new ATOM 561 N LYS A 41 -2.796 5.050 -7.542 1.00 0.00 N ATOM 562 CA LYS A 41 -3.660 5.412 -8.659 1.00 0.00 C ATOM 563 C LYS A 41 -5.060 5.768 -8.170 1.00 0.00 C ATOM 564 O LYS A 41 -5.638 5.091 -7.320 1.00 0.00 O ATOM 565 CB LYS A 41 -3.738 4.261 -9.665 1.00 0.00 C ATOM 566 CG LYS A 41 -4.192 2.947 -9.052 1.00 0.00 C ATOM 567 CD LYS A 41 -4.132 1.811 -10.059 1.00 0.00 C ATOM 568 CE LYS A 41 -2.777 1.120 -10.039 1.00 0.00 C ATOM 569 NZ LYS A 41 -1.734 1.924 -10.733 1.00 0.00 N ATOM 0 H LYS A 41 -3.009 4.146 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.231 6.286 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.425 4.535 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.758 4.120 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.563 2.708 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.211 3.051 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.915 1.086 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.329 2.198 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.474 0.945 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.860 0.144 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.120 1.293 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.190 2.609 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.162 2.433 -10.029 1.00 0.00 H new ATOM 583 N PRO A 42 -5.621 6.856 -8.720 1.00 0.00 N ATOM 584 CA PRO A 42 -6.961 7.326 -8.356 1.00 0.00 C ATOM 585 C PRO A 42 -8.058 6.390 -8.851 1.00 0.00 C ATOM 586 O PRO A 42 -8.071 5.994 -10.018 1.00 0.00 O ATOM 587 CB PRO A 42 -7.062 8.685 -9.053 1.00 0.00 C ATOM 588 CG PRO A 42 -6.117 8.593 -10.201 1.00 0.00 C ATOM 589 CD PRO A 42 -4.990 7.711 -9.739 1.00 0.00 C ATOM 0 HA PRO A 42 -7.096 7.375 -7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.079 8.881 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.788 9.497 -8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.608 8.172 -11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.750 9.579 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.579 7.122 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.169 8.294 -9.322 1.00 0.00 H new ATOM 597 N THR A 43 -8.978 6.039 -7.959 1.00 0.00 N ATOM 598 CA THR A 43 -10.079 5.149 -8.305 1.00 0.00 C ATOM 599 C THR A 43 -11.270 5.932 -8.844 1.00 0.00 C ATOM 600 O THR A 43 -11.392 7.134 -8.611 1.00 0.00 O ATOM 601 CB THR A 43 -10.533 4.317 -7.091 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.266 5.142 -6.178 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.337 3.703 -6.378 1.00 0.00 C ATOM 0 H THR A 43 -8.983 6.358 -6.990 1.00 0.00 H new ATOM 0 HA THR A 43 -9.709 4.476 -9.079 1.00 0.00 H new ATOM 0 HB THR A 43 -11.175 3.513 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.929 4.597 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.682 3.120 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.797 3.053 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.674 4.496 -6.032 1.00 0.00 H new ATOM 611 N ALA A 44 -12.148 5.242 -9.567 1.00 0.00 N ATOM 612 CA ALA A 44 -13.332 5.874 -10.137 1.00 0.00 C ATOM 613 C ALA A 44 -13.962 6.850 -9.150 1.00 0.00 C ATOM 614 O ALA A 44 -14.530 7.867 -9.545 1.00 0.00 O ATOM 615 CB ALA A 44 -14.343 4.817 -10.556 1.00 0.00 C ATOM 0 H ALA A 44 -12.061 4.246 -9.771 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.025 6.437 -11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.222 5.302 -10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.895 4.161 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.637 4.230 -9.686 1.00 0.00 H new ATOM 621 N ASN A 45 -13.859 6.533 -7.863 1.00 0.00 N ATOM 622 CA ASN A 45 -14.421 7.382 -6.819 1.00 0.00 C ATOM 623 C ASN A 45 -13.368 8.341 -6.272 1.00 0.00 C ATOM 624 O ASN A 45 -12.224 8.345 -6.726 1.00 0.00 O ATOM 625 CB ASN A 45 -14.986 6.525 -5.684 1.00 0.00 C ATOM 626 CG ASN A 45 -16.155 7.191 -4.984 1.00 0.00 C ATOM 627 OD1 ASN A 45 -15.972 7.950 -4.032 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.364 6.908 -5.453 1.00 0.00 N ATOM 0 H ASN A 45 -13.392 5.694 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.228 7.969 -7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -15.306 5.563 -6.084 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -14.198 6.323 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.189 7.325 -5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.468 6.273 -6.244 1.00 0.00 H new ATOM 635 N GLN A 46 -13.763 9.150 -5.295 1.00 0.00 N ATOM 636 CA GLN A 46 -12.853 10.113 -4.686 1.00 0.00 C ATOM 637 C GLN A 46 -11.878 9.419 -3.741 1.00 0.00 C ATOM 638 O GLN A 46 -11.156 10.071 -2.987 1.00 0.00 O ATOM 639 CB GLN A 46 -13.641 11.183 -3.929 1.00 0.00 C ATOM 640 CG GLN A 46 -14.453 10.633 -2.767 1.00 0.00 C ATOM 641 CD GLN A 46 -15.473 11.626 -2.247 1.00 0.00 C ATOM 642 OE1 GLN A 46 -15.127 12.588 -1.561 1.00 0.00 O ATOM 643 NE2 GLN A 46 -16.741 11.397 -2.570 1.00 0.00 N ATOM 0 H GLN A 46 -14.707 9.158 -4.908 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.281 10.589 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.947 11.935 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.312 11.688 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.965 9.724 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.779 10.353 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.984 10.587 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.472 12.031 -2.247 1.00 0.00 H new ATOM 652 N LYS A 47 -11.863 8.091 -3.786 1.00 0.00 N ATOM 653 CA LYS A 47 -10.976 7.306 -2.935 1.00 0.00 C ATOM 654 C LYS A 47 -9.602 7.149 -3.579 1.00 0.00 C ATOM 655 O LYS A 47 -9.365 7.630 -4.688 1.00 0.00 O ATOM 656 CB LYS A 47 -11.584 5.928 -2.664 1.00 0.00 C ATOM 657 CG LYS A 47 -12.962 5.986 -2.027 1.00 0.00 C ATOM 658 CD LYS A 47 -12.877 6.306 -0.543 1.00 0.00 C ATOM 659 CE LYS A 47 -14.137 5.876 0.192 1.00 0.00 C ATOM 660 NZ LYS A 47 -15.335 6.629 -0.272 1.00 0.00 N ATOM 0 H LYS A 47 -12.455 7.535 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.857 7.836 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.650 5.378 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.915 5.367 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.565 6.743 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.469 5.031 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.012 5.803 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.723 7.377 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.299 4.809 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.003 6.031 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.163 6.343 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.172 7.649 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.508 6.421 -1.276 1.00 0.00 H new ATOM 674 N THR A 48 -8.699 6.471 -2.878 1.00 0.00 N ATOM 675 CA THR A 48 -7.349 6.251 -3.381 1.00 0.00 C ATOM 676 C THR A 48 -6.958 4.781 -3.280 1.00 0.00 C ATOM 677 O THR A 48 -7.167 4.144 -2.248 1.00 0.00 O ATOM 678 CB THR A 48 -6.317 7.099 -2.613 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.714 8.475 -2.617 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.935 6.962 -3.233 1.00 0.00 C ATOM 0 H THR A 48 -8.878 6.065 -1.960 1.00 0.00 H new ATOM 0 HA THR A 48 -7.349 6.554 -4.428 1.00 0.00 H new ATOM 0 HB THR A 48 -6.274 6.737 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.616 8.841 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.223 7.570 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.624 5.918 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.966 7.300 -4.269 1.00 0.00 H new ATOM 688 N GLN A 49 -6.389 4.249 -4.357 1.00 0.00 N ATOM 689 CA GLN A 49 -5.969 2.853 -4.388 1.00 0.00 C ATOM 690 C GLN A 49 -4.485 2.724 -4.062 1.00 0.00 C ATOM 691 O GLN A 49 -3.694 3.621 -4.355 1.00 0.00 O ATOM 692 CB GLN A 49 -6.256 2.243 -5.761 1.00 0.00 C ATOM 693 CG GLN A 49 -6.455 0.736 -5.727 1.00 0.00 C ATOM 694 CD GLN A 49 -6.279 0.093 -7.089 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.692 0.648 -8.108 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.662 -1.083 -7.114 1.00 0.00 N ATOM 0 H GLN A 49 -6.208 4.763 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.537 2.312 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.149 2.710 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.431 2.477 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.745 0.295 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.454 0.514 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.336 -1.506 -6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.514 -1.563 -8.002 1.00 0.00 H new ATOM 705 N LEU A 50 -4.114 1.603 -3.453 1.00 0.00 N ATOM 706 CA LEU A 50 -2.724 1.356 -3.086 1.00 0.00 C ATOM 707 C LEU A 50 -2.205 0.082 -3.745 1.00 0.00 C ATOM 708 O LEU A 50 -2.665 -1.019 -3.440 1.00 0.00 O ATOM 709 CB LEU A 50 -2.588 1.250 -1.566 1.00 0.00 C ATOM 710 CG LEU A 50 -1.184 1.466 -1.001 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.214 0.444 -1.575 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.704 2.880 -1.291 1.00 0.00 C ATOM 0 H LEU A 50 -4.756 0.851 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.126 2.196 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.258 1.979 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.934 0.263 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.224 1.332 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.780 0.614 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.548 -0.561 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.178 0.546 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.297 3.016 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.680 3.042 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.384 3.597 -0.831 1.00 0.00 H new ATOM 724 N LEU A 51 -1.242 0.238 -4.647 1.00 0.00 N ATOM 725 CA LEU A 51 -0.658 -0.900 -5.348 1.00 0.00 C ATOM 726 C LEU A 51 0.864 -0.803 -5.370 1.00 0.00 C ATOM 727 O LEU A 51 1.425 0.253 -5.663 1.00 0.00 O ATOM 728 CB LEU A 51 -1.196 -0.975 -6.778 1.00 0.00 C ATOM 729 CG LEU A 51 -0.489 -1.958 -7.711 1.00 0.00 C ATOM 730 CD1 LEU A 51 -0.936 -3.383 -7.423 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.753 -1.598 -9.165 1.00 0.00 C ATOM 0 H LEU A 51 -0.849 1.142 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.939 -1.807 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.252 -1.242 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.137 0.020 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 51 0.584 -1.892 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.422 -4.069 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.694 -3.639 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.012 -3.464 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.242 -2.309 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.825 -1.634 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.382 -0.593 -9.364 1.00 0.00 H new ATOM 743 N VAL A 52 1.527 -1.912 -5.060 1.00 0.00 N ATOM 744 CA VAL A 52 2.985 -1.954 -5.047 1.00 0.00 C ATOM 745 C VAL A 52 3.512 -3.032 -5.987 1.00 0.00 C ATOM 746 O VAL A 52 3.107 -4.192 -5.908 1.00 0.00 O ATOM 747 CB VAL A 52 3.527 -2.214 -3.629 1.00 0.00 C ATOM 748 CG1 VAL A 52 5.038 -2.383 -3.658 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.126 -1.087 -2.691 1.00 0.00 C ATOM 0 H VAL A 52 1.078 -2.794 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 52 3.333 -0.978 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 52 3.089 -3.140 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.403 -2.566 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.297 -3.228 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.498 -1.477 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.517 -1.287 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.534 -0.145 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.039 -1.019 -2.647 1.00 0.00 H new ATOM 759 N ARG A 53 4.419 -2.642 -6.877 1.00 0.00 N ATOM 760 CA ARG A 53 5.002 -3.575 -7.834 1.00 0.00 C ATOM 761 C ARG A 53 6.309 -4.153 -7.301 1.00 0.00 C ATOM 762 O ARG A 53 7.091 -3.455 -6.656 1.00 0.00 O ATOM 763 CB ARG A 53 5.248 -2.878 -9.173 1.00 0.00 C ATOM 764 CG ARG A 53 6.350 -1.832 -9.122 1.00 0.00 C ATOM 765 CD ARG A 53 7.005 -1.647 -10.482 1.00 0.00 C ATOM 766 NE ARG A 53 8.029 -0.605 -10.459 1.00 0.00 N ATOM 767 CZ ARG A 53 8.676 -0.187 -11.541 1.00 0.00 C ATOM 768 NH1 ARG A 53 8.407 -0.719 -12.725 1.00 0.00 N ATOM 769 NH2 ARG A 53 9.595 0.765 -11.439 1.00 0.00 N ATOM 0 H ARG A 53 4.766 -1.686 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 53 4.297 -4.393 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.505 -3.628 -9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.323 -2.404 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.936 -0.882 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.103 -2.130 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.453 -2.589 -10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.244 -1.391 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 53 8.260 -0.175 -9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.702 -1.451 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.905 -0.396 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.805 1.176 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.092 1.086 -12.270 1.00 0.00 H new ATOM 783 N ALA A 54 6.540 -5.433 -7.575 1.00 0.00 N ATOM 784 CA ALA A 54 7.753 -6.105 -7.125 1.00 0.00 C ATOM 785 C ALA A 54 8.995 -5.446 -7.715 1.00 0.00 C ATOM 786 O ALA A 54 8.898 -4.589 -8.593 1.00 0.00 O ATOM 787 CB ALA A 54 7.708 -7.579 -7.496 1.00 0.00 C ATOM 0 H ALA A 54 5.902 -6.026 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 54 7.807 -6.017 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.620 -8.068 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.845 -8.047 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.626 -7.679 -8.578 1.00 0.00 H new ATOM 793 N ASP A 55 10.162 -5.853 -7.227 1.00 0.00 N ATOM 794 CA ASP A 55 11.425 -5.302 -7.706 1.00 0.00 C ATOM 795 C ASP A 55 12.057 -6.220 -8.747 1.00 0.00 C ATOM 796 O ASP A 55 12.586 -5.758 -9.759 1.00 0.00 O ATOM 797 CB ASP A 55 12.390 -5.094 -6.538 1.00 0.00 C ATOM 798 CG ASP A 55 13.779 -4.695 -6.999 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.880 -3.923 -7.975 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.763 -5.156 -6.384 1.00 0.00 O ATOM 0 H ASP A 55 10.260 -6.562 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 55 11.220 -4.339 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.994 -4.323 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.454 -6.013 -5.955 1.00 0.00 H new ATOM 859 N ASN A 60 5.621 -9.033 -9.741 1.00 0.00 N ATOM 860 CA ASN A 60 4.412 -9.608 -9.165 1.00 0.00 C ATOM 861 C ASN A 60 3.833 -8.694 -8.089 1.00 0.00 C ATOM 862 O ASN A 60 4.571 -8.015 -7.375 1.00 0.00 O ATOM 863 CB ASN A 60 4.711 -10.987 -8.571 1.00 0.00 C ATOM 864 CG ASN A 60 5.231 -10.904 -7.150 1.00 0.00 C ATOM 865 OD1 ASN A 60 4.320 -10.783 -6.192 1.00 0.00 O flip ATOM 866 ND2 ASN A 60 6.439 -10.948 -6.916 1.00 0.00 N flip ATOM 0 HA ASN A 60 3.675 -9.714 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.804 -11.591 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.446 -11.497 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.104 -11.042 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.775 -10.891 -5.954 1.00 0.00 H new ATOM 873 N ILE A 61 2.509 -8.683 -7.979 1.00 0.00 N ATOM 874 CA ILE A 61 1.832 -7.854 -6.990 1.00 0.00 C ATOM 875 C ILE A 61 2.213 -8.268 -5.572 1.00 0.00 C ATOM 876 O ILE A 61 2.078 -9.433 -5.197 1.00 0.00 O ATOM 877 CB ILE A 61 0.301 -7.933 -7.142 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.119 -7.463 -8.536 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.381 -7.099 -6.068 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.515 -7.898 -8.924 1.00 0.00 C ATOM 0 H ILE A 61 1.884 -9.239 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 61 2.154 -6.827 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.009 -8.971 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.061 -6.375 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.590 -7.847 -9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.462 -7.165 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.102 -7.475 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.068 -6.059 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.746 -7.530 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.572 -8.986 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.234 -7.491 -8.213 1.00 0.00 H new ATOM 892 N LEU A 62 2.687 -7.306 -4.788 1.00 0.00 N ATOM 893 CA LEU A 62 3.085 -7.570 -3.410 1.00 0.00 C ATOM 894 C LEU A 62 1.941 -7.275 -2.446 1.00 0.00 C ATOM 895 O LEU A 62 1.642 -8.074 -1.557 1.00 0.00 O ATOM 896 CB LEU A 62 4.307 -6.726 -3.042 1.00 0.00 C ATOM 897 CG LEU A 62 5.617 -7.104 -3.733 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.680 -6.047 -3.478 1.00 0.00 C ATOM 899 CD2 LEU A 62 6.095 -8.469 -3.261 1.00 0.00 C ATOM 0 H LEU A 62 2.805 -6.337 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 62 3.341 -8.626 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.086 -5.684 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.456 -6.790 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 62 5.437 -7.156 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.605 -6.334 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.340 -5.087 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.858 -5.961 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.029 -8.721 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.258 -8.445 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.341 -9.220 -3.497 1.00 0.00 H new ATOM 911 N LEU A 63 1.301 -6.125 -2.629 1.00 0.00 N ATOM 912 CA LEU A 63 0.186 -5.726 -1.777 1.00 0.00 C ATOM 913 C LEU A 63 -0.734 -4.752 -2.506 1.00 0.00 C ATOM 914 O LEU A 63 -0.336 -3.636 -2.837 1.00 0.00 O ATOM 915 CB LEU A 63 0.707 -5.086 -0.489 1.00 0.00 C ATOM 916 CG LEU A 63 -0.335 -4.380 0.379 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.215 -5.396 1.091 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.343 -3.461 1.385 1.00 0.00 C ATOM 0 H LEU A 63 1.535 -5.453 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.386 -6.619 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.185 -5.861 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.480 -4.364 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.968 -3.773 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.950 -4.874 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.729 -6.012 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.597 -6.030 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.414 -2.967 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.000 -4.047 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.929 -2.710 0.855 1.00 0.00 H new ATOM 930 N ASN A 64 -1.968 -5.182 -2.750 1.00 0.00 N ATOM 931 CA ASN A 64 -2.946 -4.348 -3.438 1.00 0.00 C ATOM 932 C ASN A 64 -4.220 -4.207 -2.610 1.00 0.00 C ATOM 933 O ASN A 64 -5.047 -5.117 -2.565 1.00 0.00 O ATOM 934 CB ASN A 64 -3.278 -4.940 -4.809 1.00 0.00 C ATOM 935 CG ASN A 64 -4.028 -3.963 -5.695 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.500 -2.925 -5.232 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.139 -4.292 -6.976 1.00 0.00 N ATOM 0 H ASN A 64 -2.314 -6.103 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.511 -3.358 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.355 -5.241 -5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.878 -5.841 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.632 -3.674 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.732 -5.163 -7.316 1.00 0.00 H new ATOM 944 N VAL A 65 -4.370 -3.060 -1.956 1.00 0.00 N ATOM 945 CA VAL A 65 -5.543 -2.798 -1.131 1.00 0.00 C ATOM 946 C VAL A 65 -6.019 -1.359 -1.292 1.00 0.00 C ATOM 947 O VAL A 65 -5.217 -0.448 -1.502 1.00 0.00 O ATOM 948 CB VAL A 65 -5.254 -3.068 0.358 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.019 -4.552 0.596 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.059 -2.249 0.824 1.00 0.00 C ATOM 0 H VAL A 65 -3.694 -2.297 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.326 -3.476 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.124 -2.765 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.816 -4.723 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.906 -5.113 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.166 -4.885 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.868 -2.451 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.181 -2.520 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.271 -1.188 0.691 1.00 0.00 H new ATOM 960 N LEU A 66 -7.329 -1.160 -1.192 1.00 0.00 N ATOM 961 CA LEU A 66 -7.913 0.170 -1.326 1.00 0.00 C ATOM 962 C LEU A 66 -7.943 0.890 0.018 1.00 0.00 C ATOM 963 O LEU A 66 -8.383 0.330 1.023 1.00 0.00 O ATOM 964 CB LEU A 66 -9.329 0.071 -1.896 1.00 0.00 C ATOM 965 CG LEU A 66 -10.146 1.364 -1.892 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.494 2.410 -2.782 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.574 1.093 -2.343 1.00 0.00 C ATOM 0 H LEU A 66 -8.007 -1.903 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.291 0.746 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.262 -0.289 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.876 -0.682 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.174 1.750 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.089 3.323 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.490 2.625 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.434 2.033 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.141 2.024 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.565 0.683 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.040 0.378 -1.665 1.00 0.00 H new ATOM 979 N ILE A 67 -7.475 2.133 0.028 1.00 0.00 N ATOM 980 CA ILE A 67 -7.451 2.930 1.248 1.00 0.00 C ATOM 981 C ILE A 67 -8.863 3.197 1.758 1.00 0.00 C ATOM 982 O ILE A 67 -9.646 3.921 1.142 1.00 0.00 O ATOM 983 CB ILE A 67 -6.734 4.275 1.028 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.262 4.042 0.678 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.858 5.151 2.266 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.570 5.271 0.130 1.00 0.00 C ATOM 0 H ILE A 67 -7.107 2.610 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.902 2.352 1.991 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.209 4.791 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.734 3.705 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.194 3.239 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.346 6.098 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.911 5.340 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.406 4.643 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.531 5.033 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.074 5.597 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.606 6.070 0.871 1.00 0.00 H new ATOM 998 N PRO A 68 -9.198 2.601 2.911 1.00 0.00 N ATOM 999 CA PRO A 68 -10.517 2.761 3.531 1.00 0.00 C ATOM 1000 C PRO A 68 -10.731 4.167 4.082 1.00 0.00 C ATOM 1001 O PRO A 68 -9.808 4.977 4.159 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.501 1.738 4.669 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.058 1.558 4.997 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.316 1.725 3.700 1.00 0.00 C ATOM 0 HA PRO A 68 -11.325 2.610 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.061 2.097 5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.957 0.797 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.730 2.293 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.875 0.573 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.335 2.176 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.153 0.768 3.205 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.978 4.465 4.476 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.343 5.774 5.027 1.00 0.00 C ATOM 1014 C PRO A 69 -11.746 6.006 6.411 1.00 0.00 C ATOM 1015 O PRO A 69 -11.869 7.092 6.976 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.870 5.712 5.107 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.186 4.260 5.211 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.129 3.548 4.412 1.00 0.00 C ATOM 0 HA PRO A 69 -11.968 6.594 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.244 6.261 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.331 6.155 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.177 3.932 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.181 4.048 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.891 2.574 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.449 3.376 3.384 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.099 4.978 6.952 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.483 5.071 8.270 1.00 0.00 C ATOM 1028 C ASN A 70 -9.246 4.183 8.356 1.00 0.00 C ATOM 1029 O ASN A 70 -9.335 2.962 8.225 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.487 4.673 9.354 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.757 3.180 9.372 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -11.395 2.484 10.321 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -12.396 2.682 8.320 1.00 0.00 N ATOM 0 H ASN A 70 -10.988 4.072 6.498 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.178 6.105 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.108 4.983 10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.423 5.207 9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.606 1.685 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.677 3.297 7.556 1.00 0.00 H new ATOM 1040 N MET A 71 -8.092 4.804 8.577 1.00 0.00 N ATOM 1041 CA MET A 71 -6.837 4.070 8.683 1.00 0.00 C ATOM 1042 C MET A 71 -5.889 4.751 9.665 1.00 0.00 C ATOM 1043 O MET A 71 -5.494 5.904 9.485 1.00 0.00 O ATOM 1044 CB MET A 71 -6.171 3.955 7.310 1.00 0.00 C ATOM 1045 CG MET A 71 -4.748 3.424 7.367 1.00 0.00 C ATOM 1046 SD MET A 71 -3.762 3.927 5.944 1.00 0.00 S ATOM 1047 CE MET A 71 -2.399 4.761 6.754 1.00 0.00 C ATOM 0 H MET A 71 -8.000 5.814 8.686 1.00 0.00 H new ATOM 0 HA MET A 71 -7.061 3.070 9.056 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.770 3.299 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.165 4.936 6.835 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.269 3.778 8.280 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.772 2.336 7.421 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.483 5.836 6.594 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.427 4.550 7.823 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.456 4.405 6.339 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.514 4.024 10.728 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.608 4.539 11.759 1.00 0.00 C ATOM 1059 C PRO A 72 -3.181 4.706 11.246 1.00 0.00 C ATOM 1060 O PRO A 72 -2.618 3.791 10.644 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.663 3.465 12.848 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.043 2.217 12.130 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.945 2.644 11.005 1.00 0.00 C ATOM 0 HA PRO A 72 -4.904 5.530 12.104 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.700 3.357 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.393 3.718 13.617 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.161 1.702 11.749 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.554 1.523 12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.828 2.003 10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.995 2.601 11.294 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.603 5.876 11.489 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.241 6.162 11.052 1.00 0.00 C ATOM 1073 C CYS A 73 -0.303 6.296 12.247 1.00 0.00 C ATOM 1074 O CYS A 73 -0.699 6.772 13.311 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.210 7.444 10.217 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.536 7.560 8.994 1.00 0.00 S ATOM 0 H CYS A 73 -3.056 6.643 11.986 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.900 5.328 10.438 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.271 8.302 10.886 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.250 7.508 9.704 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.561 6.870 9.399 1.00 0.00 H new ATOM 1082 N THR A 74 0.944 5.871 12.064 1.00 0.00 N ATOM 1083 CA THR A 74 1.938 5.940 13.127 1.00 0.00 C ATOM 1084 C THR A 74 3.318 6.269 12.569 1.00 0.00 C ATOM 1085 O THR A 74 3.876 5.506 11.780 1.00 0.00 O ATOM 1086 CB THR A 74 2.016 4.616 13.911 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.603 3.528 13.076 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.140 4.670 15.153 1.00 0.00 C ATOM 0 H THR A 74 1.289 5.476 11.189 1.00 0.00 H new ATOM 0 HA THR A 74 1.623 6.735 13.802 1.00 0.00 H new ATOM 0 HB THR A 74 3.050 4.463 14.222 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.470 3.851 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.211 3.724 15.690 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.475 5.481 15.800 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.104 4.844 14.861 1.00 0.00 H new ATOM 1096 N ARG A 75 3.863 7.407 12.984 1.00 0.00 N ATOM 1097 CA ARG A 75 5.178 7.837 12.524 1.00 0.00 C ATOM 1098 C ARG A 75 6.281 7.220 13.379 1.00 0.00 C ATOM 1099 O ARG A 75 6.259 7.318 14.607 1.00 0.00 O ATOM 1100 CB ARG A 75 5.282 9.363 12.562 1.00 0.00 C ATOM 1101 CG ARG A 75 6.554 9.902 11.928 1.00 0.00 C ATOM 1102 CD ARG A 75 6.568 9.670 10.425 1.00 0.00 C ATOM 1103 NE ARG A 75 7.407 10.643 9.729 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.719 10.507 9.578 1.00 0.00 C ATOM 1105 NH1 ARG A 75 9.340 9.444 10.070 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.414 11.435 8.932 1.00 0.00 N ATOM 0 H ARG A 75 3.414 8.048 13.638 1.00 0.00 H new ATOM 0 HA ARG A 75 5.305 7.497 11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.421 9.790 12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.233 9.697 13.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.641 10.969 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.420 9.419 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.931 8.664 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.550 9.728 10.040 1.00 0.00 H new ATOM 0 HE ARG A 75 6.960 11.472 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.810 8.728 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.348 9.342 9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.940 12.254 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.422 11.329 8.817 1.00 0.00 H new ATOM 1120 N THR A 76 7.246 6.583 12.723 1.00 0.00 N ATOM 1121 CA THR A 76 8.357 5.949 13.422 1.00 0.00 C ATOM 1122 C THR A 76 9.667 6.149 12.669 1.00 0.00 C ATOM 1123 O THR A 76 9.707 6.070 11.442 1.00 0.00 O ATOM 1124 CB THR A 76 8.112 4.440 13.612 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.196 3.857 14.344 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.967 3.742 12.268 1.00 0.00 C ATOM 0 H THR A 76 7.280 6.492 11.708 1.00 0.00 H new ATOM 0 HA THR A 76 8.428 6.425 14.400 1.00 0.00 H new ATOM 0 HB THR A 76 7.185 4.312 14.172 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.032 2.898 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.795 2.678 12.428 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.123 4.169 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.879 3.879 11.687 1.00 0.00 H new ATOM 1134 N GLY A 77 10.738 6.409 13.413 1.00 0.00 N ATOM 1135 CA GLY A 77 12.036 6.616 12.797 1.00 0.00 C ATOM 1136 C GLY A 77 12.083 7.875 11.954 1.00 0.00 C ATOM 1137 O GLY A 77 11.408 8.859 12.255 1.00 0.00 O ATOM 0 H GLY A 77 10.730 6.480 14.430 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.798 6.674 13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.280 5.756 12.174 1.00 0.00 H new ATOM 1141 N LYS A 78 12.885 7.846 10.895 1.00 0.00 N ATOM 1142 CA LYS A 78 13.020 8.993 10.004 1.00 0.00 C ATOM 1143 C LYS A 78 12.553 8.645 8.594 1.00 0.00 C ATOM 1144 O LYS A 78 11.936 9.464 7.915 1.00 0.00 O ATOM 1145 CB LYS A 78 14.474 9.469 9.969 1.00 0.00 C ATOM 1146 CG LYS A 78 15.402 8.531 9.216 1.00 0.00 C ATOM 1147 CD LYS A 78 16.838 8.667 9.694 1.00 0.00 C ATOM 1148 CE LYS A 78 17.647 7.415 9.390 1.00 0.00 C ATOM 1149 NZ LYS A 78 19.111 7.653 9.530 1.00 0.00 N ATOM 0 H LYS A 78 13.452 7.040 10.632 1.00 0.00 H new ATOM 0 HA LYS A 78 12.391 9.796 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.514 10.455 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.836 9.582 10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.068 7.502 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.351 8.746 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.303 9.528 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.849 8.857 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.343 6.614 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.429 7.079 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.627 6.776 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.406 8.400 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.323 7.949 10.504 1.00 0.00 H new ATOM 1163 N ASN A 79 12.851 7.424 8.162 1.00 0.00 N ATOM 1164 CA ASN A 79 12.461 6.968 6.832 1.00 0.00 C ATOM 1165 C ASN A 79 11.513 5.776 6.923 1.00 0.00 C ATOM 1166 O ASN A 79 11.325 5.044 5.952 1.00 0.00 O ATOM 1167 CB ASN A 79 13.699 6.588 6.017 1.00 0.00 C ATOM 1168 CG ASN A 79 14.298 5.266 6.456 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.555 5.052 7.641 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.523 4.372 5.501 1.00 0.00 N ATOM 0 H ASN A 79 13.361 6.733 8.713 1.00 0.00 H new ATOM 0 HA ASN A 79 11.942 7.786 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.432 6.530 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.449 7.373 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.925 3.464 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.294 4.593 4.532 1.00 0.00 H new ATOM 1177 N ASN A 80 10.917 5.588 8.096 1.00 0.00 N ATOM 1178 CA ASN A 80 9.988 4.486 8.314 1.00 0.00 C ATOM 1179 C ASN A 80 8.583 5.006 8.600 1.00 0.00 C ATOM 1180 O ASN A 80 8.405 5.962 9.356 1.00 0.00 O ATOM 1181 CB ASN A 80 10.466 3.610 9.475 1.00 0.00 C ATOM 1182 CG ASN A 80 11.912 3.183 9.319 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.202 2.126 8.757 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.829 4.004 9.817 1.00 0.00 N ATOM 0 H ASN A 80 11.061 6.185 8.910 1.00 0.00 H new ATOM 0 HA ASN A 80 9.956 3.887 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.350 4.157 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.834 2.725 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.819 3.769 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.544 4.870 10.275 1.00 0.00 H new ATOM 1191 N VAL A 81 7.587 4.371 7.992 1.00 0.00 N ATOM 1192 CA VAL A 81 6.197 4.768 8.182 1.00 0.00 C ATOM 1193 C VAL A 81 5.370 3.622 8.753 1.00 0.00 C ATOM 1194 O VAL A 81 5.101 2.634 8.068 1.00 0.00 O ATOM 1195 CB VAL A 81 5.560 5.236 6.859 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.102 5.610 7.071 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.341 6.405 6.277 1.00 0.00 C ATOM 0 H VAL A 81 7.717 3.579 7.363 1.00 0.00 H new ATOM 0 HA VAL A 81 6.200 5.598 8.889 1.00 0.00 H new ATOM 0 HB VAL A 81 5.598 4.413 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.669 5.938 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.554 4.743 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.036 6.418 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.878 6.723 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.337 7.234 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.369 6.097 6.086 1.00 0.00 H new ATOM 1207 N LEU A 82 4.970 3.759 10.012 1.00 0.00 N ATOM 1208 CA LEU A 82 4.173 2.734 10.677 1.00 0.00 C ATOM 1209 C LEU A 82 2.685 2.943 10.412 1.00 0.00 C ATOM 1210 O LEU A 82 2.141 4.014 10.682 1.00 0.00 O ATOM 1211 CB LEU A 82 4.440 2.749 12.183 1.00 0.00 C ATOM 1212 CG LEU A 82 4.218 1.427 12.918 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.085 0.643 12.275 1.00 0.00 C ATOM 1214 CD2 LEU A 82 5.498 0.603 12.932 1.00 0.00 C ATOM 0 H LEU A 82 5.184 4.570 10.593 1.00 0.00 H new ATOM 0 HA LEU A 82 4.463 1.765 10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.471 3.063 12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.801 3.506 12.637 1.00 0.00 H new ATOM 0 HG LEU A 82 3.941 1.648 13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.941 -0.295 12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.167 1.229 12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.333 0.432 11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.321 -0.335 13.459 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.806 0.391 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.285 1.162 13.439 1.00 0.00 H new ATOM 1226 N ILE A 83 2.033 1.913 9.883 1.00 0.00 N ATOM 1227 CA ILE A 83 0.608 1.984 9.584 1.00 0.00 C ATOM 1228 C ILE A 83 -0.037 0.604 9.653 1.00 0.00 C ATOM 1229 O ILE A 83 0.653 -0.416 9.668 1.00 0.00 O ATOM 1230 CB ILE A 83 0.355 2.588 8.190 1.00 0.00 C ATOM 1231 CG1 ILE A 83 1.003 1.721 7.109 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.887 4.011 8.125 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.604 2.110 5.703 1.00 0.00 C ATOM 0 H ILE A 83 2.469 1.020 9.653 1.00 0.00 H new ATOM 0 HA ILE A 83 0.159 2.631 10.338 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.720 2.614 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.087 1.788 7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.732 0.679 7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.701 4.424 7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.383 4.622 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.959 4.008 8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.101 1.453 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.476 2.016 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.899 3.142 5.513 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.365 0.579 9.693 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.105 -0.676 9.757 1.00 0.00 C ATOM 1247 C VAL A 84 -2.972 -0.867 8.518 1.00 0.00 C ATOM 1248 O VAL A 84 -3.768 0.005 8.164 1.00 0.00 O ATOM 1249 CB VAL A 84 -2.998 -0.738 11.010 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.588 -2.130 11.177 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.210 -0.332 12.246 1.00 0.00 C ATOM 0 H VAL A 84 -1.951 1.414 9.682 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.367 -1.476 9.807 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.820 -0.034 10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.216 -2.155 12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.189 -2.378 10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.782 -2.857 11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.857 -0.382 13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.367 -1.010 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.841 0.687 12.124 1.00 0.00 H new ATOM 1261 N CYS A 85 -2.814 -2.011 7.862 1.00 0.00 N ATOM 1262 CA CYS A 85 -3.583 -2.317 6.661 1.00 0.00 C ATOM 1263 C CYS A 85 -3.691 -3.824 6.453 1.00 0.00 C ATOM 1264 O CYS A 85 -2.782 -4.576 6.805 1.00 0.00 O ATOM 1265 CB CYS A 85 -2.937 -1.666 5.437 1.00 0.00 C ATOM 1266 SG CYS A 85 -1.375 -2.426 4.936 1.00 0.00 S ATOM 0 H CYS A 85 -2.160 -2.742 8.142 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.587 -1.914 6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.636 -1.713 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.764 -0.611 5.649 1.00 0.00 H new ATOM 0 HG CYS A 85 -0.907 -1.809 3.892 1.00 0.00 H new ATOM 1272 N VAL A 86 -4.809 -4.259 5.882 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.036 -5.677 5.627 1.00 0.00 C ATOM 1274 C VAL A 86 -4.191 -6.168 4.458 1.00 0.00 C ATOM 1275 O VAL A 86 -4.309 -5.688 3.330 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.520 -5.963 5.330 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -6.727 -7.436 5.013 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.391 -5.533 6.501 1.00 0.00 C ATOM 0 H VAL A 86 -5.572 -3.650 5.587 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.744 -6.212 6.531 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.816 -5.383 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.781 -7.619 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.133 -7.707 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.415 -8.039 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.436 -5.743 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.097 -6.083 7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.265 -4.464 6.675 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.317 -7.148 4.730 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.435 -7.727 3.712 1.00 0.00 C ATOM 1290 C PRO A 87 -3.199 -8.559 2.688 1.00 0.00 C ATOM 1291 O PRO A 87 -3.905 -9.502 3.042 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.491 -8.616 4.526 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.260 -8.962 5.753 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.124 -7.768 6.052 1.00 0.00 C ATOM 0 HA PRO A 87 -1.925 -6.959 3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.211 -9.510 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.568 -8.092 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.867 -9.853 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.590 -9.177 6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.073 -8.061 6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.639 -7.085 6.749 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.052 -8.203 1.416 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.729 -8.917 0.339 1.00 0.00 C ATOM 1304 C ASN A 88 -2.736 -9.354 -0.733 1.00 0.00 C ATOM 1305 O ASN A 88 -2.112 -8.535 -1.408 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.813 -8.035 -0.283 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.115 -8.085 0.492 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.239 -7.481 1.558 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.094 -8.807 -0.040 1.00 0.00 N ATOM 0 H ASN A 88 -2.470 -7.425 1.106 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.193 -9.807 0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.459 -7.005 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.992 -8.354 -1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.993 -8.877 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.947 -9.291 -0.926 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.584 -10.677 -0.895 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.320 -11.662 -0.097 1.00 0.00 C ATOM 1318 C PRO A 89 -2.863 -11.689 1.357 1.00 0.00 C ATOM 1319 O PRO A 89 -1.755 -11.270 1.692 1.00 0.00 O ATOM 1320 CB PRO A 89 -2.995 -12.990 -0.784 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.685 -12.759 -1.455 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.682 -11.313 -1.869 1.00 0.00 C ATOM 0 HA PRO A 89 -4.386 -11.437 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.932 -13.804 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.766 -13.262 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.857 -12.973 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.568 -13.413 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.680 -10.885 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.041 -11.187 -2.891 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.734 -12.193 2.244 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.441 -12.287 3.677 1.00 0.00 C ATOM 1332 C PRO A 90 -2.374 -13.334 3.982 1.00 0.00 C ATOM 1333 O PRO A 90 -2.307 -14.374 3.328 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.783 -12.698 4.288 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.505 -13.391 3.184 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.073 -12.711 1.915 1.00 0.00 C ATOM 0 HA PRO A 90 -3.045 -11.352 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.643 -13.357 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.340 -11.830 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.257 -14.452 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.584 -13.318 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.040 -13.407 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.757 -11.909 1.636 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.544 -13.051 4.980 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.482 -13.969 5.373 1.00 0.00 C ATOM 1346 C ILE A 91 -1.051 -15.210 6.052 1.00 0.00 C ATOM 1347 O ILE A 91 -0.601 -16.329 5.801 1.00 0.00 O ATOM 1348 CB ILE A 91 0.524 -13.293 6.324 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.141 -12.062 5.658 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.607 -14.278 6.737 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.666 -11.041 6.643 1.00 0.00 C ATOM 0 H ILE A 91 -1.586 -12.194 5.531 1.00 0.00 H new ATOM 0 HA ILE A 91 0.035 -14.262 4.459 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.006 -12.970 7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.956 -12.381 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.392 -11.590 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.310 -13.785 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.152 -15.127 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.137 -14.629 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.089 -10.196 6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.850 -10.694 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.438 -11.497 7.263 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.044 -15.005 6.910 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.677 -16.108 7.624 1.00 0.00 C ATOM 1365 C ASP A 92 -4.197 -16.009 7.537 1.00 0.00 C ATOM 1366 O ASP A 92 -4.790 -15.022 7.971 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.237 -16.116 9.088 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.929 -16.854 9.295 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.931 -18.100 9.214 1.00 0.00 O ATOM 1370 OD2 ASP A 92 0.097 -16.185 9.540 1.00 0.00 O ATOM 0 H ASP A 92 -2.428 -14.086 7.128 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.363 -17.040 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.131 -15.089 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.013 -16.581 9.695 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.821 -17.039 6.973 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.272 -17.066 6.828 1.00 0.00 C ATOM 1377 C GLU A 93 -6.957 -16.801 8.165 1.00 0.00 C ATOM 1378 O GLU A 93 -8.091 -16.324 8.211 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.726 -18.416 6.268 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.323 -19.599 7.132 1.00 0.00 C ATOM 1381 CD GLU A 93 -6.844 -20.918 6.594 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -7.995 -21.278 6.921 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -6.102 -21.590 5.848 1.00 0.00 O ATOM 0 H GLU A 93 -4.345 -17.865 6.610 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.557 -16.278 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.811 -18.409 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.307 -18.546 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.236 -19.642 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.699 -19.450 8.144 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.261 -17.114 9.252 1.00 0.00 N ATOM 1391 CA LYS A 94 -6.800 -16.911 10.592 1.00 0.00 C ATOM 1392 C LYS A 94 -7.091 -15.435 10.842 1.00 0.00 C ATOM 1393 O LYS A 94 -8.206 -15.066 11.210 1.00 0.00 O ATOM 1394 CB LYS A 94 -5.818 -17.433 11.643 1.00 0.00 C ATOM 1395 CG LYS A 94 -6.036 -18.892 12.007 1.00 0.00 C ATOM 1396 CD LYS A 94 -5.432 -19.822 10.968 1.00 0.00 C ATOM 1397 CE LYS A 94 -3.919 -19.905 11.108 1.00 0.00 C ATOM 1398 NZ LYS A 94 -3.515 -20.744 12.270 1.00 0.00 N ATOM 0 H LYS A 94 -5.321 -17.510 9.232 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.735 -17.466 10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.801 -17.308 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.906 -16.825 12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.591 -19.095 12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.104 -19.090 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.864 -20.817 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.687 -19.468 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.492 -20.319 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.509 -18.902 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.485 -20.888 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.783 -20.266 13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.994 -21.666 12.216 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.082 -14.594 10.639 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.231 -13.157 10.842 1.00 0.00 C ATOM 1414 C ASN A 95 -6.450 -12.440 9.514 1.00 0.00 C ATOM 1415 O ASN A 95 -6.303 -11.222 9.423 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.995 -12.590 11.544 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.895 -13.036 12.990 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.687 -12.621 13.836 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -3.918 -13.888 13.279 1.00 0.00 N ATOM 0 H ASN A 95 -5.152 -14.883 10.334 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.106 -12.992 11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.100 -12.904 11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.025 -11.501 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.801 -14.225 14.235 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.285 -14.205 12.545 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.803 -13.205 8.486 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.045 -12.642 7.163 1.00 0.00 C ATOM 1428 C ALA A 96 -7.879 -11.369 7.252 1.00 0.00 C ATOM 1429 O ALA A 96 -7.518 -10.337 6.685 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.735 -13.665 6.273 1.00 0.00 C ATOM 0 H ALA A 96 -6.928 -14.216 8.544 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.082 -12.384 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.910 -13.232 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.102 -14.547 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.688 -13.950 6.718 1.00 0.00 H new ATOM 1436 N THR A 97 -8.997 -11.447 7.968 1.00 0.00 N ATOM 1437 CA THR A 97 -9.883 -10.301 8.129 1.00 0.00 C ATOM 1438 C THR A 97 -9.205 -9.189 8.921 1.00 0.00 C ATOM 1439 O THR A 97 -9.306 -8.014 8.570 1.00 0.00 O ATOM 1440 CB THR A 97 -11.190 -10.698 8.840 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.774 -11.834 8.193 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.180 -9.543 8.838 1.00 0.00 C ATOM 0 H THR A 97 -9.310 -12.292 8.445 1.00 0.00 H new ATOM 0 HA THR A 97 -10.117 -9.939 7.128 1.00 0.00 H new ATOM 0 HB THR A 97 -10.953 -10.951 9.873 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.604 -12.081 8.652 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.095 -9.847 9.346 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.744 -8.689 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.411 -9.264 7.810 1.00 0.00 H new ATOM 1450 N MET A 98 -8.512 -9.568 9.990 1.00 0.00 N ATOM 1451 CA MET A 98 -7.815 -8.602 10.831 1.00 0.00 C ATOM 1452 C MET A 98 -6.536 -8.117 10.156 1.00 0.00 C ATOM 1453 O MET A 98 -5.736 -8.904 9.649 1.00 0.00 O ATOM 1454 CB MET A 98 -7.485 -9.220 12.191 1.00 0.00 C ATOM 1455 CG MET A 98 -7.274 -8.193 13.291 1.00 0.00 C ATOM 1456 SD MET A 98 -6.807 -8.944 14.862 1.00 0.00 S ATOM 1457 CE MET A 98 -5.750 -7.669 15.546 1.00 0.00 C ATOM 0 H MET A 98 -8.418 -10.537 10.294 1.00 0.00 H new ATOM 0 HA MET A 98 -8.474 -7.746 10.980 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.294 -9.891 12.482 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.585 -9.828 12.096 1.00 0.00 H new ATOM 0 HG2 MET A 98 -6.499 -7.491 12.984 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.190 -7.617 13.426 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.381 -7.987 16.521 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.907 -7.498 14.877 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.319 -6.746 15.656 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.336 -6.791 10.147 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.156 -6.172 9.538 1.00 0.00 C ATOM 1469 C PRO A 99 -3.880 -6.457 10.324 1.00 0.00 C ATOM 1470 O PRO A 99 -3.933 -6.858 11.486 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.481 -4.677 9.572 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.442 -4.524 10.700 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.248 -5.793 10.732 1.00 0.00 C ATOM 0 HA PRO A 99 -4.965 -6.558 8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.583 -4.080 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.919 -4.346 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.916 -4.372 11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.085 -3.657 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.537 -6.060 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.167 -5.700 10.153 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.735 -6.248 9.682 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.446 -6.481 10.322 1.00 0.00 C ATOM 1483 C VAL A 100 -0.596 -5.216 10.321 1.00 0.00 C ATOM 1484 O VAL A 100 -0.824 -4.300 9.530 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.668 -7.610 9.620 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.493 -8.888 9.590 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.270 -7.189 8.214 1.00 0.00 C ATOM 0 H VAL A 100 -2.674 -5.918 8.719 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.651 -6.776 11.351 1.00 0.00 H new ATOM 0 HB VAL A 100 0.242 -7.807 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.927 -9.675 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.722 -9.197 10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.422 -8.709 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.279 -7.999 7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.165 -6.963 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.362 -6.303 8.265 1.00 0.00 H new ATOM 1497 N THR A 101 0.389 -5.171 11.214 1.00 0.00 N ATOM 1498 CA THR A 101 1.274 -4.018 11.318 1.00 0.00 C ATOM 1499 C THR A 101 2.207 -3.931 10.116 1.00 0.00 C ATOM 1500 O THR A 101 3.185 -4.673 10.022 1.00 0.00 O ATOM 1501 CB THR A 101 2.118 -4.072 12.605 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.262 -4.056 13.753 1.00 0.00 O ATOM 1503 CG2 THR A 101 3.082 -2.897 12.670 1.00 0.00 C ATOM 0 H THR A 101 0.593 -5.920 11.875 1.00 0.00 H new ATOM 0 HA THR A 101 0.638 -3.133 11.346 1.00 0.00 H new ATOM 0 HB THR A 101 2.696 -4.996 12.595 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.806 -4.092 14.567 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.667 -2.957 13.588 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.751 -2.927 11.810 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.519 -1.964 12.659 1.00 0.00 H new ATOM 1511 N MET A 102 1.899 -3.021 9.197 1.00 0.00 N ATOM 1512 CA MET A 102 2.712 -2.837 8.001 1.00 0.00 C ATOM 1513 C MET A 102 3.521 -1.547 8.087 1.00 0.00 C ATOM 1514 O MET A 102 3.062 -0.551 8.648 1.00 0.00 O ATOM 1515 CB MET A 102 1.826 -2.815 6.754 1.00 0.00 C ATOM 1516 CG MET A 102 1.406 -4.198 6.283 1.00 0.00 C ATOM 1517 SD MET A 102 2.749 -5.095 5.480 1.00 0.00 S ATOM 1518 CE MET A 102 1.859 -5.936 4.172 1.00 0.00 C ATOM 0 H MET A 102 1.092 -2.400 9.258 1.00 0.00 H new ATOM 0 HA MET A 102 3.405 -3.676 7.931 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.934 -2.225 6.963 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.360 -2.312 5.948 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.048 -4.775 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.571 -4.103 5.589 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.641 -6.959 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.926 -5.410 3.971 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.469 -5.951 3.269 1.00 0.00 H new ATOM 1528 N LEU A 103 4.726 -1.571 7.529 1.00 0.00 N ATOM 1529 CA LEU A 103 5.599 -0.402 7.542 1.00 0.00 C ATOM 1530 C LEU A 103 6.250 -0.193 6.179 1.00 0.00 C ATOM 1531 O LEU A 103 6.549 -1.154 5.469 1.00 0.00 O ATOM 1532 CB LEU A 103 6.677 -0.559 8.616 1.00 0.00 C ATOM 1533 CG LEU A 103 7.514 0.686 8.915 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.030 0.651 10.345 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.669 0.801 7.931 1.00 0.00 C ATOM 0 H LEU A 103 5.121 -2.387 7.062 1.00 0.00 H new ATOM 0 HA LEU A 103 4.991 0.473 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.197 -0.880 9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.350 -1.360 8.312 1.00 0.00 H new ATOM 0 HG LEU A 103 6.878 1.564 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.623 1.544 10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.187 0.618 11.035 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.650 -0.234 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.254 1.692 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.305 -0.081 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.277 0.874 6.917 1.00 0.00 H new ATOM 1547 N ILE A 104 6.470 1.068 5.821 1.00 0.00 N ATOM 1548 CA ILE A 104 7.089 1.402 4.544 1.00 0.00 C ATOM 1549 C ILE A 104 8.381 2.185 4.749 1.00 0.00 C ATOM 1550 O ILE A 104 8.388 3.237 5.387 1.00 0.00 O ATOM 1551 CB ILE A 104 6.138 2.226 3.657 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.843 1.452 3.401 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.816 2.583 2.342 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.801 1.644 4.480 1.00 0.00 C ATOM 0 H ILE A 104 6.229 1.875 6.397 1.00 0.00 H new ATOM 0 HA ILE A 104 7.313 0.459 4.045 1.00 0.00 H new ATOM 0 HB ILE A 104 5.889 3.150 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.425 1.765 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.075 0.390 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.131 3.165 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.712 3.170 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.091 1.670 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.910 1.066 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.200 1.304 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.541 2.700 4.551 1.00 0.00 H new ATOM 1566 N ARG A 105 9.475 1.664 4.201 1.00 0.00 N ATOM 1567 CA ARG A 105 10.774 2.314 4.322 1.00 0.00 C ATOM 1568 C ARG A 105 11.133 3.056 3.038 1.00 0.00 C ATOM 1569 O ARG A 105 11.230 2.455 1.968 1.00 0.00 O ATOM 1570 CB ARG A 105 11.856 1.283 4.647 1.00 0.00 C ATOM 1571 CG ARG A 105 11.806 0.778 6.080 1.00 0.00 C ATOM 1572 CD ARG A 105 13.182 0.353 6.569 1.00 0.00 C ATOM 1573 NE ARG A 105 13.124 -0.276 7.886 1.00 0.00 N ATOM 1574 CZ ARG A 105 14.175 -0.823 8.485 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.360 -0.819 7.889 1.00 0.00 N ATOM 1576 NH2 ARG A 105 14.043 -1.377 9.684 1.00 0.00 N ATOM 0 H ARG A 105 9.487 0.794 3.669 1.00 0.00 H new ATOM 0 HA ARG A 105 10.715 3.038 5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.754 0.436 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.835 1.725 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.414 1.561 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.119 -0.065 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.622 -0.342 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.837 1.223 6.611 1.00 0.00 H new ATOM 0 HE ARG A 105 12.227 -0.296 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.466 -0.395 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.165 -1.240 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.134 -1.383 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.851 -1.797 10.143 1.00 0.00 H new ATOM 1590 N VAL A 106 11.328 4.366 3.152 1.00 0.00 N ATOM 1591 CA VAL A 106 11.676 5.190 2.001 1.00 0.00 C ATOM 1592 C VAL A 106 13.173 5.476 1.963 1.00 0.00 C ATOM 1593 O VAL A 106 13.885 5.253 2.943 1.00 0.00 O ATOM 1594 CB VAL A 106 10.910 6.526 2.015 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.412 6.283 1.914 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.246 7.320 3.268 1.00 0.00 C ATOM 0 H VAL A 106 11.251 4.879 4.030 1.00 0.00 H new ATOM 0 HA VAL A 106 11.393 4.627 1.112 1.00 0.00 H new ATOM 0 HB VAL A 106 11.219 7.111 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.887 7.238 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.190 5.758 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.084 5.678 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.696 8.261 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.967 6.743 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.316 7.526 3.292 1.00 0.00 H new ATOM 1606 N LYS A 107 13.646 5.973 0.825 1.00 0.00 N ATOM 1607 CA LYS A 107 15.059 6.293 0.658 1.00 0.00 C ATOM 1608 C LYS A 107 15.499 7.357 1.659 1.00 0.00 C ATOM 1609 O LYS A 107 16.358 7.111 2.506 1.00 0.00 O ATOM 1610 CB LYS A 107 15.328 6.777 -0.769 1.00 0.00 C ATOM 1611 CG LYS A 107 15.684 5.659 -1.733 1.00 0.00 C ATOM 1612 CD LYS A 107 17.014 5.017 -1.376 1.00 0.00 C ATOM 1613 CE LYS A 107 17.529 4.137 -2.505 1.00 0.00 C ATOM 1614 NZ LYS A 107 16.701 2.910 -2.673 1.00 0.00 N ATOM 0 H LYS A 107 13.071 6.163 0.004 1.00 0.00 H new ATOM 0 HA LYS A 107 15.635 5.386 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.445 7.298 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 107 16.141 7.502 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 107 14.899 4.903 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.730 6.054 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.746 5.793 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 107 16.900 4.420 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.531 4.704 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.562 3.853 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.084 2.337 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 16.719 2.356 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.721 3.180 -2.892 1.00 0.00 H new ATOM 1628 N THR A 108 14.903 8.541 1.557 1.00 0.00 N ATOM 1629 CA THR A 108 15.232 9.642 2.453 1.00 0.00 C ATOM 1630 C THR A 108 14.065 9.967 3.378 1.00 0.00 C ATOM 1631 O THR A 108 12.904 9.906 2.972 1.00 0.00 O ATOM 1632 CB THR A 108 15.618 10.909 1.667 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.572 11.256 0.753 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.917 10.699 0.904 1.00 0.00 C ATOM 0 H THR A 108 14.190 8.762 0.862 1.00 0.00 H new ATOM 0 HA THR A 108 16.085 9.319 3.050 1.00 0.00 H new ATOM 0 HB THR A 108 15.762 11.722 2.379 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.403 10.504 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.169 11.608 0.357 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.717 10.465 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.797 9.874 0.202 1.00 0.00 H new ATOM 1642 N SER A 109 14.380 10.312 4.622 1.00 0.00 N ATOM 1643 CA SER A 109 13.356 10.643 5.606 1.00 0.00 C ATOM 1644 C SER A 109 12.368 11.659 5.041 1.00 0.00 C ATOM 1645 O SER A 109 11.161 11.554 5.257 1.00 0.00 O ATOM 1646 CB SER A 109 14.001 11.195 6.878 1.00 0.00 C ATOM 1647 OG SER A 109 13.068 11.941 7.641 1.00 0.00 O ATOM 0 H SER A 109 15.336 10.370 4.973 1.00 0.00 H new ATOM 0 HA SER A 109 12.812 9.730 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.391 10.373 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.849 11.828 6.615 1.00 0.00 H new ATOM 0 HG SER A 109 12.382 11.339 7.998 1.00 0.00 H new ATOM 1653 N GLU A 110 12.891 12.644 4.316 1.00 0.00 N ATOM 1654 CA GLU A 110 12.056 13.680 3.720 1.00 0.00 C ATOM 1655 C GLU A 110 10.917 13.063 2.913 1.00 0.00 C ATOM 1656 O GLU A 110 9.795 13.570 2.915 1.00 0.00 O ATOM 1657 CB GLU A 110 12.897 14.591 2.823 1.00 0.00 C ATOM 1658 CG GLU A 110 13.616 13.851 1.708 1.00 0.00 C ATOM 1659 CD GLU A 110 14.072 14.775 0.595 1.00 0.00 C ATOM 1660 OE1 GLU A 110 14.640 15.842 0.905 1.00 0.00 O ATOM 1661 OE2 GLU A 110 13.860 14.429 -0.586 1.00 0.00 O ATOM 0 H GLU A 110 13.888 12.746 4.128 1.00 0.00 H new ATOM 0 HA GLU A 110 11.626 14.274 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.251 15.352 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.633 15.111 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.480 13.331 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.953 13.090 1.295 1.00 0.00 H new ATOM 1668 N ASP A 111 11.215 11.968 2.223 1.00 0.00 N ATOM 1669 CA ASP A 111 10.217 11.281 1.411 1.00 0.00 C ATOM 1670 C ASP A 111 9.099 10.718 2.284 1.00 0.00 C ATOM 1671 O ASP A 111 7.924 10.791 1.928 1.00 0.00 O ATOM 1672 CB ASP A 111 10.869 10.154 0.608 1.00 0.00 C ATOM 1673 CG ASP A 111 11.675 10.673 -0.567 1.00 0.00 C ATOM 1674 OD1 ASP A 111 11.191 11.593 -1.258 1.00 0.00 O ATOM 1675 OD2 ASP A 111 12.790 10.157 -0.796 1.00 0.00 O ATOM 0 H ASP A 111 12.139 11.537 2.209 1.00 0.00 H new ATOM 0 HA ASP A 111 9.785 12.006 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.519 9.574 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.096 9.477 0.244 1.00 0.00 H new ATOM 1680 N ALA A 112 9.475 10.157 3.429 1.00 0.00 N ATOM 1681 CA ALA A 112 8.505 9.583 4.353 1.00 0.00 C ATOM 1682 C ALA A 112 7.423 10.597 4.713 1.00 0.00 C ATOM 1683 O ALA A 112 6.238 10.363 4.477 1.00 0.00 O ATOM 1684 CB ALA A 112 9.203 9.086 5.610 1.00 0.00 C ATOM 0 H ALA A 112 10.444 10.088 3.739 1.00 0.00 H new ATOM 0 HA ALA A 112 8.025 8.738 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.466 8.660 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.934 8.323 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.710 9.919 6.098 1.00 0.00 H new ATOM 1690 N ASP A 113 7.840 11.721 5.285 1.00 0.00 N ATOM 1691 CA ASP A 113 6.906 12.770 5.677 1.00 0.00 C ATOM 1692 C ASP A 113 5.874 13.017 4.581 1.00 0.00 C ATOM 1693 O ASP A 113 4.674 13.074 4.848 1.00 0.00 O ATOM 1694 CB ASP A 113 7.660 14.065 5.985 1.00 0.00 C ATOM 1695 CG ASP A 113 6.764 15.127 6.590 1.00 0.00 C ATOM 1696 OD1 ASP A 113 5.847 15.602 5.887 1.00 0.00 O ATOM 1697 OD2 ASP A 113 6.979 15.484 7.767 1.00 0.00 O ATOM 0 H ASP A 113 8.818 11.929 5.487 1.00 0.00 H new ATOM 0 HA ASP A 113 6.384 12.440 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.479 13.851 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.106 14.449 5.068 1.00 0.00 H new ATOM 1702 N GLU A 114 6.350 13.163 3.349 1.00 0.00 N ATOM 1703 CA GLU A 114 5.468 13.405 2.213 1.00 0.00 C ATOM 1704 C GLU A 114 4.408 12.312 2.105 1.00 0.00 C ATOM 1705 O GLU A 114 3.211 12.580 2.213 1.00 0.00 O ATOM 1706 CB GLU A 114 6.277 13.477 0.917 1.00 0.00 C ATOM 1707 CG GLU A 114 5.539 14.157 -0.224 1.00 0.00 C ATOM 1708 CD GLU A 114 6.473 14.648 -1.313 1.00 0.00 C ATOM 1709 OE1 GLU A 114 6.754 13.870 -2.249 1.00 0.00 O ATOM 1710 OE2 GLU A 114 6.923 15.810 -1.230 1.00 0.00 O ATOM 0 H GLU A 114 7.341 13.118 3.112 1.00 0.00 H new ATOM 0 HA GLU A 114 4.966 14.359 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.207 14.013 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.549 12.467 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.821 13.459 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.969 15.000 0.168 1.00 0.00 H new ATOM 1717 N LEU A 115 4.857 11.081 1.890 1.00 0.00 N ATOM 1718 CA LEU A 115 3.949 9.946 1.766 1.00 0.00 C ATOM 1719 C LEU A 115 2.920 9.947 2.891 1.00 0.00 C ATOM 1720 O LEU A 115 1.730 9.730 2.659 1.00 0.00 O ATOM 1721 CB LEU A 115 4.736 8.634 1.779 1.00 0.00 C ATOM 1722 CG LEU A 115 3.915 7.362 1.994 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.162 6.992 0.726 1.00 0.00 C ATOM 1724 CD2 LEU A 115 4.814 6.216 2.436 1.00 0.00 C ATOM 0 H LEU A 115 5.845 10.843 1.798 1.00 0.00 H new ATOM 0 HA LEU A 115 3.421 10.036 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.268 8.543 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.490 8.693 2.564 1.00 0.00 H new ATOM 0 HG LEU A 115 3.186 7.551 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.583 6.084 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.489 7.805 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.873 6.821 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.213 5.319 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.566 6.027 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.308 6.481 3.371 1.00 0.00 H new ATOM 1736 N HIS A 116 3.385 10.193 4.112 1.00 0.00 N ATOM 1737 CA HIS A 116 2.504 10.225 5.274 1.00 0.00 C ATOM 1738 C HIS A 116 1.484 11.353 5.151 1.00 0.00 C ATOM 1739 O HIS A 116 0.293 11.157 5.393 1.00 0.00 O ATOM 1740 CB HIS A 116 3.321 10.398 6.555 1.00 0.00 C ATOM 1741 CG HIS A 116 2.600 9.953 7.790 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.183 10.825 8.773 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.220 8.720 8.197 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.579 10.147 9.733 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.588 8.867 9.407 1.00 0.00 N ATOM 0 H HIS A 116 4.367 10.373 4.322 1.00 0.00 H new ATOM 0 HA HIS A 116 1.968 9.277 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.249 9.834 6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.595 11.448 6.662 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.319 11.836 8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.383 7.792 7.668 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.151 10.568 10.631 1.00 0.00 H new ATOM 1753 N LYS A 117 1.959 12.536 4.776 1.00 0.00 N ATOM 1754 CA LYS A 117 1.090 13.696 4.620 1.00 0.00 C ATOM 1755 C LYS A 117 0.018 13.435 3.567 1.00 0.00 C ATOM 1756 O LYS A 117 -1.177 13.538 3.846 1.00 0.00 O ATOM 1757 CB LYS A 117 1.912 14.927 4.233 1.00 0.00 C ATOM 1758 CG LYS A 117 1.068 16.159 3.953 1.00 0.00 C ATOM 1759 CD LYS A 117 1.745 17.085 2.957 1.00 0.00 C ATOM 1760 CE LYS A 117 2.685 18.059 3.650 1.00 0.00 C ATOM 1761 NZ LYS A 117 3.979 17.418 4.015 1.00 0.00 N ATOM 0 H LYS A 117 2.942 12.716 4.574 1.00 0.00 H new ATOM 0 HA LYS A 117 0.598 13.881 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.613 15.152 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.505 14.694 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.096 15.855 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.886 16.696 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.303 16.494 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.988 17.640 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.873 18.910 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.206 18.448 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.712 18.149 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.872 16.909 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.257 16.748 3.270 1.00 0.00 H new ATOM 1775 N ILE A 118 0.452 13.097 2.358 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.471 12.819 1.265 1.00 0.00 C ATOM 1777 C ILE A 118 -1.585 11.879 1.712 1.00 0.00 C ATOM 1778 O ILE A 118 -2.754 12.265 1.765 1.00 0.00 O ATOM 1779 CB ILE A 118 0.257 12.197 0.058 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.344 13.144 -0.453 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.735 11.874 -1.049 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.289 12.500 -1.443 1.00 0.00 C ATOM 0 H ILE A 118 1.438 13.009 2.110 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.903 13.774 0.966 1.00 0.00 H new ATOM 0 HB ILE A 118 0.731 11.269 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.872 14.007 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.918 13.517 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.206 11.435 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.476 11.166 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.234 12.789 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.033 13.229 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.789 11.654 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.727 12.152 -2.309 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.217 10.645 2.034 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.185 9.649 2.479 1.00 0.00 C ATOM 1796 C LEU A 119 -3.207 10.268 3.427 1.00 0.00 C ATOM 1797 O LEU A 119 -4.415 10.098 3.254 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.470 8.487 3.171 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.730 7.512 2.254 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.408 6.835 3.001 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.692 6.476 1.689 1.00 0.00 C ATOM 0 H LEU A 119 -0.255 10.309 1.995 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.711 9.273 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.755 8.899 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.205 7.926 3.747 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.306 8.076 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.923 6.145 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.111 7.589 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.008 6.284 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.148 5.791 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.146 5.917 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.472 6.978 1.116 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.716 10.990 4.429 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.586 11.638 5.404 1.00 0.00 C ATOM 1815 C LEU A 120 -4.580 12.567 4.714 1.00 0.00 C ATOM 1816 O LEU A 120 -5.736 12.669 5.124 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.753 12.426 6.416 1.00 0.00 C ATOM 1818 CG LEU A 120 -1.896 11.594 7.372 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -0.710 12.406 7.869 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -2.732 11.097 8.542 1.00 0.00 C ATOM 0 H LEU A 120 -1.720 11.141 4.587 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.145 10.862 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.098 13.103 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.427 13.044 7.009 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.516 10.728 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.112 11.798 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.098 12.712 7.021 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.069 13.290 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.106 10.507 9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.141 11.949 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.548 10.478 8.169 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.122 13.240 3.663 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.973 14.159 2.916 1.00 0.00 C ATOM 1834 C GLU A 121 -5.956 13.395 2.034 1.00 0.00 C ATOM 1835 O GLU A 121 -7.126 13.762 1.926 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.119 15.094 2.056 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.615 16.317 2.804 1.00 0.00 C ATOM 1838 CD GLU A 121 -4.740 17.226 3.261 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.255 17.017 4.379 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -5.105 18.146 2.500 1.00 0.00 O ATOM 0 H GLU A 121 -3.168 13.166 3.310 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.541 14.753 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.265 14.538 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.705 15.420 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.038 15.996 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.938 16.879 2.160 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.472 12.330 1.403 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.306 11.512 0.530 1.00 0.00 C ATOM 1849 C LYS A 122 -7.449 10.873 1.313 1.00 0.00 C ATOM 1850 O LYS A 122 -8.599 10.884 0.873 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.464 10.426 -0.143 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.304 10.973 -0.957 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.734 11.327 -2.371 1.00 0.00 C ATOM 1854 CE LYS A 122 -3.547 11.738 -3.228 1.00 0.00 C ATOM 1855 NZ LYS A 122 -3.976 12.437 -4.471 1.00 0.00 N ATOM 0 H LYS A 122 -4.506 12.013 1.480 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.732 12.160 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.075 9.753 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.105 9.832 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.899 11.858 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.503 10.234 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.233 10.471 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.460 12.140 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.892 12.391 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.965 10.854 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.732 11.856 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.004 12.590 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.491 13.355 -4.538 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.125 10.316 2.475 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.125 9.674 3.321 1.00 0.00 C ATOM 1871 C LYS A 123 -9.168 10.683 3.792 1.00 0.00 C ATOM 1872 O LYS A 123 -10.353 10.364 3.890 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.454 9.017 4.529 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.754 10.003 5.447 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.478 9.395 6.812 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.486 10.452 7.905 1.00 0.00 C ATOM 1877 NZ LYS A 123 -6.586 9.846 9.262 1.00 0.00 N ATOM 0 H LYS A 123 -6.178 10.296 2.853 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.627 8.908 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.206 8.473 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.729 8.284 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.816 10.321 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.370 10.894 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.229 8.637 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.511 8.891 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.576 11.049 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.324 11.131 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.588 10.599 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.467 9.297 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -5.773 9.218 9.422 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.720 11.900 4.079 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.615 12.956 4.537 1.00 0.00 C ATOM 1893 C ASP A 124 -10.843 13.055 3.637 1.00 0.00 C ATOM 1894 O ASP A 124 -11.978 13.028 4.113 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.882 14.297 4.571 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.830 15.472 4.707 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -10.771 15.384 5.523 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -9.630 16.480 3.998 1.00 0.00 O ATOM 0 H ASP A 124 -7.742 12.180 4.003 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.945 12.707 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.179 14.303 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.296 14.411 3.659 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.607 13.172 2.335 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.694 13.275 1.368 1.00 0.00 C ATOM 1905 C ALA A 125 -12.237 11.898 1.005 1.00 0.00 C ATOM 1906 O ALA A 125 -13.390 11.765 0.590 1.00 0.00 O ATOM 1907 CB ALA A 125 -11.221 14.005 0.119 1.00 0.00 C ATOM 0 H ALA A 125 -9.673 13.198 1.925 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.502 13.846 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.042 14.075 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.887 15.007 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.394 13.456 -0.332 1.00 0.00 H new