USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -101:sc= 0.558 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.0294 X(o=-0.46,f=-0.54) USER MOD Set 1.3: A 97 HIS : no HD1:sc= -0.991 K(o=-0.46,f=-2.8) USER MOD Set 2.1: A 58 MET CE :methyl 157:sc= -1.6 (180deg=-4.09!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -109:sc= -1.29 (180deg=-4.17!) USER MOD Set 2.3: A 72 TYR OH : rot -15:sc= -1.82 USER MOD Set 3.1: A 29 HIS : +bothHN:sc= 1.39 K(o=2.5,f=-7.9!) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 1.07 USER MOD Set 4.1: A 17 CYS SG : rot 41:sc= 0.516 USER MOD Set 4.2: A 117 MET CE :methyl 146:sc= -1.95 (180deg=-2.98!) USER MOD Single : A 11 SER OG : rot -110:sc= 0.473 USER MOD Single : A 13 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=-0.051) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -171:sc= 0 (180deg=-0.169) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.638) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.4) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -111:sc= -1.74 (180deg=-3.74!) USER MOD Single : A 76 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.03) USER MOD Single : A 85 MET CE :methyl 141:sc= -0.21 (180deg=-0.854) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -5.75! C(o=-5.7!,f=-6.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -140:sc= 0.608 (180deg=-0.215) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -131:sc= -4.14! (180deg=-7.59!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 112 MET CE :methyl 147:sc= 0 (180deg=-0.213) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.164 18.059 5.850 1.00 0.00 N ATOM 115 CA SER A 11 -4.985 18.808 4.905 1.00 0.00 C ATOM 116 C SER A 11 -6.468 18.641 5.223 1.00 0.00 C ATOM 117 O SER A 11 -6.834 17.994 6.204 1.00 0.00 O ATOM 118 CB SER A 11 -4.704 18.346 3.474 1.00 0.00 C ATOM 119 OG SER A 11 -5.118 19.320 2.533 1.00 0.00 O ATOM 0 HA SER A 11 -4.728 19.863 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.638 18.150 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.224 17.407 3.283 1.00 0.00 H new ATOM 0 HG SER A 11 -5.896 18.987 2.039 1.00 0.00 H new ATOM 125 N GLU A 12 -7.316 19.229 4.386 1.00 0.00 N ATOM 126 CA GLU A 12 -8.759 19.146 4.578 1.00 0.00 C ATOM 127 C GLU A 12 -9.265 17.733 4.300 1.00 0.00 C ATOM 128 O GLU A 12 -10.167 17.240 4.979 1.00 0.00 O ATOM 129 CB GLU A 12 -9.476 20.145 3.666 1.00 0.00 C ATOM 130 CG GLU A 12 -9.277 19.868 2.186 1.00 0.00 C ATOM 131 CD GLU A 12 -7.926 20.336 1.681 1.00 0.00 C ATOM 132 OE1 GLU A 12 -7.480 21.424 2.102 1.00 0.00 O ATOM 133 OE2 GLU A 12 -7.314 19.615 0.865 1.00 0.00 O ATOM 0 H GLU A 12 -7.029 19.768 3.569 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.976 19.393 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.543 20.128 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.119 21.150 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.378 18.798 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.064 20.364 1.618 1.00 0.00 H new ATOM 140 N HIS A 13 -8.679 17.088 3.297 1.00 0.00 N ATOM 141 CA HIS A 13 -9.069 15.732 2.929 1.00 0.00 C ATOM 142 C HIS A 13 -8.163 14.704 3.600 1.00 0.00 C ATOM 143 O HIS A 13 -8.638 13.751 4.218 1.00 0.00 O ATOM 144 CB HIS A 13 -9.019 15.559 1.410 1.00 0.00 C ATOM 145 CG HIS A 13 -10.008 16.412 0.677 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.782 16.906 -0.590 1.00 0.00 N ATOM 147 CD2 HIS A 13 -11.234 16.858 1.040 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.825 17.620 -0.974 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.720 17.606 -0.003 1.00 0.00 N ATOM 0 H HIS A 13 -7.932 17.482 2.725 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.090 15.569 3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -8.015 15.797 1.058 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -9.202 14.513 1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.736 16.662 1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.928 18.129 -1.921 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.626 18.075 -0.025 1.00 0.00 H new ATOM 157 N LEU A 14 -6.856 14.903 3.473 1.00 0.00 N ATOM 158 CA LEU A 14 -5.882 13.994 4.067 1.00 0.00 C ATOM 159 C LEU A 14 -6.330 13.546 5.454 1.00 0.00 C ATOM 160 O LEU A 14 -6.255 12.364 5.790 1.00 0.00 O ATOM 161 CB LEU A 14 -4.512 14.668 4.154 1.00 0.00 C ATOM 162 CG LEU A 14 -3.372 13.805 4.698 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.018 12.705 3.711 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.153 14.663 5.004 1.00 0.00 C ATOM 0 H LEU A 14 -6.446 15.686 2.964 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.807 13.114 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.236 15.014 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.604 15.552 4.784 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.705 13.339 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.205 12.101 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.890 12.073 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.704 13.150 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.352 14.033 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.818 15.158 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.415 15.414 5.749 1.00 0.00 H new ATOM 176 N ARG A 15 -6.799 14.497 6.255 1.00 0.00 N ATOM 177 CA ARG A 15 -7.261 14.200 7.605 1.00 0.00 C ATOM 178 C ARG A 15 -8.211 13.006 7.604 1.00 0.00 C ATOM 179 O ARG A 15 -8.120 12.127 8.461 1.00 0.00 O ATOM 180 CB ARG A 15 -7.959 15.421 8.208 1.00 0.00 C ATOM 181 CG ARG A 15 -9.278 15.763 7.534 1.00 0.00 C ATOM 182 CD ARG A 15 -9.863 17.056 8.080 1.00 0.00 C ATOM 183 NE ARG A 15 -8.869 18.124 8.142 1.00 0.00 N ATOM 184 CZ ARG A 15 -8.046 18.303 9.169 1.00 0.00 C ATOM 185 NH1 ARG A 15 -8.098 17.489 10.215 1.00 0.00 N ATOM 186 NH2 ARG A 15 -7.169 19.299 9.152 1.00 0.00 N ATOM 0 H ARG A 15 -6.869 15.480 5.992 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.392 13.950 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.138 15.240 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.292 16.281 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.125 15.857 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.987 14.949 7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.695 17.371 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.267 16.879 9.077 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.803 18.768 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.771 16.723 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.465 17.629 11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.127 19.928 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.537 19.436 9.941 1.00 0.00 H new ATOM 200 N TYR A 16 -9.122 12.982 6.638 1.00 0.00 N ATOM 201 CA TYR A 16 -10.091 11.898 6.528 1.00 0.00 C ATOM 202 C TYR A 16 -9.411 10.601 6.102 1.00 0.00 C ATOM 203 O TYR A 16 -9.704 9.530 6.635 1.00 0.00 O ATOM 204 CB TYR A 16 -11.187 12.266 5.525 1.00 0.00 C ATOM 205 CG TYR A 16 -12.106 11.115 5.185 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.695 10.099 4.331 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.387 11.042 5.719 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.532 9.047 4.017 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.231 9.993 5.412 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.799 8.998 4.560 1.00 0.00 C ATOM 211 OH TYR A 16 -14.636 7.950 4.251 1.00 0.00 O ATOM 0 H TYR A 16 -9.210 13.701 5.920 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.541 11.746 7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.780 13.086 5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.722 12.632 4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.703 10.133 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.729 11.820 6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.197 8.267 3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.223 9.952 5.836 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.491 8.066 4.717 1.00 0.00 H new ATOM 221 N CYS A 17 -8.501 10.706 5.140 1.00 0.00 N ATOM 222 CA CYS A 17 -7.778 9.541 4.642 1.00 0.00 C ATOM 223 C CYS A 17 -7.122 8.777 5.788 1.00 0.00 C ATOM 224 O CYS A 17 -7.078 7.547 5.781 1.00 0.00 O ATOM 225 CB CYS A 17 -6.718 9.970 3.626 1.00 0.00 C ATOM 226 SG CYS A 17 -7.358 10.229 1.955 1.00 0.00 S ATOM 0 H CYS A 17 -8.246 11.585 4.690 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.494 8.881 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.251 10.892 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.936 9.211 3.590 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.505 10.838 2.019 1.00 0.00 H new ATOM 232 N ASP A 18 -6.613 9.514 6.769 1.00 0.00 N ATOM 233 CA ASP A 18 -5.959 8.906 7.921 1.00 0.00 C ATOM 234 C ASP A 18 -6.737 7.687 8.408 1.00 0.00 C ATOM 235 O ASP A 18 -6.153 6.655 8.735 1.00 0.00 O ATOM 236 CB ASP A 18 -5.823 9.925 9.054 1.00 0.00 C ATOM 237 CG ASP A 18 -5.431 9.280 10.369 1.00 0.00 C ATOM 238 OD1 ASP A 18 -6.271 8.566 10.954 1.00 0.00 O ATOM 239 OD2 ASP A 18 -4.282 9.491 10.813 1.00 0.00 O ATOM 0 H ASP A 18 -6.641 10.533 6.789 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.965 8.581 7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.076 10.670 8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.768 10.453 9.179 1.00 0.00 H new ATOM 244 N SER A 19 -8.060 7.816 8.453 1.00 0.00 N ATOM 245 CA SER A 19 -8.918 6.727 8.905 1.00 0.00 C ATOM 246 C SER A 19 -8.900 5.572 7.907 1.00 0.00 C ATOM 247 O SER A 19 -8.681 4.419 8.280 1.00 0.00 O ATOM 248 CB SER A 19 -10.351 7.226 9.098 1.00 0.00 C ATOM 249 OG SER A 19 -10.370 8.483 9.751 1.00 0.00 O ATOM 0 H SER A 19 -8.560 8.663 8.182 1.00 0.00 H new ATOM 0 HA SER A 19 -8.534 6.366 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.844 7.308 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.916 6.500 9.683 1.00 0.00 H new ATOM 0 HG SER A 19 -11.297 8.781 9.861 1.00 0.00 H new ATOM 255 N ILE A 20 -9.132 5.891 6.639 1.00 0.00 N ATOM 256 CA ILE A 20 -9.142 4.881 5.587 1.00 0.00 C ATOM 257 C ILE A 20 -8.049 3.842 5.813 1.00 0.00 C ATOM 258 O ILE A 20 -8.165 2.697 5.374 1.00 0.00 O ATOM 259 CB ILE A 20 -8.952 5.515 4.196 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.994 6.612 3.966 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.047 4.451 3.112 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.947 7.207 2.576 1.00 0.00 C ATOM 0 H ILE A 20 -9.316 6.840 6.314 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.117 4.395 5.625 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.961 5.966 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.988 6.201 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.842 7.406 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.911 4.914 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.272 3.701 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.027 3.975 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.713 7.977 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.966 7.648 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.129 6.425 1.839 1.00 0.00 H new ATOM 274 N LEU A 21 -6.988 4.248 6.502 1.00 0.00 N ATOM 275 CA LEU A 21 -5.873 3.351 6.788 1.00 0.00 C ATOM 276 C LEU A 21 -6.135 2.545 8.057 1.00 0.00 C ATOM 277 O LEU A 21 -5.937 1.331 8.084 1.00 0.00 O ATOM 278 CB LEU A 21 -4.576 4.149 6.936 1.00 0.00 C ATOM 279 CG LEU A 21 -3.400 3.406 7.570 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.936 2.273 6.669 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.254 4.366 7.856 1.00 0.00 C ATOM 0 H LEU A 21 -6.876 5.192 6.873 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.773 2.658 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.271 4.495 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.785 5.036 7.534 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.733 2.978 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.098 1.756 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.756 1.571 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.621 2.678 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.426 3.820 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.922 4.824 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.593 5.143 8.542 1.00 0.00 H new ATOM 293 N ARG A 22 -6.584 3.229 9.104 1.00 0.00 N ATOM 294 CA ARG A 22 -6.874 2.577 10.375 1.00 0.00 C ATOM 295 C ARG A 22 -7.901 1.464 10.193 1.00 0.00 C ATOM 296 O ARG A 22 -7.918 0.492 10.948 1.00 0.00 O ATOM 297 CB ARG A 22 -7.387 3.598 11.392 1.00 0.00 C ATOM 298 CG ARG A 22 -8.898 3.767 11.375 1.00 0.00 C ATOM 299 CD ARG A 22 -9.372 4.653 12.516 1.00 0.00 C ATOM 300 NE ARG A 22 -10.746 5.107 12.323 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.328 6.033 13.077 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.658 6.600 14.070 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.583 6.393 12.838 1.00 0.00 N ATOM 0 H ARG A 22 -6.755 4.235 9.097 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.949 2.137 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.075 3.292 12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.920 4.562 11.194 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.206 4.201 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.375 2.790 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.300 4.104 13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.713 5.517 12.601 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.289 4.690 11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.693 6.326 14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.107 7.311 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.102 5.959 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.029 7.104 13.418 1.00 0.00 H new ATOM 317 N GLU A 23 -8.757 1.614 9.186 1.00 0.00 N ATOM 318 CA GLU A 23 -9.788 0.622 8.906 1.00 0.00 C ATOM 319 C GLU A 23 -9.194 -0.597 8.207 1.00 0.00 C ATOM 320 O GLU A 23 -9.412 -1.734 8.626 1.00 0.00 O ATOM 321 CB GLU A 23 -10.893 1.232 8.041 1.00 0.00 C ATOM 322 CG GLU A 23 -11.612 0.218 7.168 1.00 0.00 C ATOM 323 CD GLU A 23 -13.043 0.620 6.865 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.275 1.811 6.572 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.929 -0.258 6.920 1.00 0.00 O ATOM 0 H GLU A 23 -8.756 2.413 8.551 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.216 0.302 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.620 1.722 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.460 2.004 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.066 0.098 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.608 -0.752 7.666 1.00 0.00 H new ATOM 332 N MET A 24 -8.444 -0.352 7.138 1.00 0.00 N ATOM 333 CA MET A 24 -7.818 -1.429 6.380 1.00 0.00 C ATOM 334 C MET A 24 -6.953 -2.300 7.286 1.00 0.00 C ATOM 335 O MET A 24 -6.599 -3.425 6.929 1.00 0.00 O ATOM 336 CB MET A 24 -6.970 -0.856 5.243 1.00 0.00 C ATOM 337 CG MET A 24 -7.793 -0.303 4.091 1.00 0.00 C ATOM 338 SD MET A 24 -6.919 -0.374 2.515 1.00 0.00 S ATOM 339 CE MET A 24 -5.838 1.047 2.663 1.00 0.00 C ATOM 0 H MET A 24 -8.255 0.583 6.777 1.00 0.00 H new ATOM 0 HA MET A 24 -8.609 -2.049 5.957 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.335 -0.063 5.638 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.309 -1.636 4.865 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.723 -0.865 4.012 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.063 0.731 4.306 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.348 1.233 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.423 1.921 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.083 0.852 3.425 1.00 0.00 H new ATOM 349 N LEU A 25 -6.615 -1.773 8.458 1.00 0.00 N ATOM 350 CA LEU A 25 -5.790 -2.503 9.415 1.00 0.00 C ATOM 351 C LEU A 25 -6.653 -3.161 10.486 1.00 0.00 C ATOM 352 O LEU A 25 -6.233 -3.305 11.634 1.00 0.00 O ATOM 353 CB LEU A 25 -4.778 -1.560 10.068 1.00 0.00 C ATOM 354 CG LEU A 25 -3.429 -1.429 9.359 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.624 -0.283 9.951 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.650 -2.733 9.449 1.00 0.00 C ATOM 0 H LEU A 25 -6.899 -0.844 8.768 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.255 -3.284 8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.227 -0.569 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.599 -1.901 11.088 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.613 -1.211 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.668 -0.205 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.177 0.649 9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.450 -0.470 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.693 -2.621 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.476 -2.982 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.222 -3.532 8.976 1.00 0.00 H new ATOM 368 N SER A 26 -7.862 -3.561 10.103 1.00 0.00 N ATOM 369 CA SER A 26 -8.785 -4.203 11.031 1.00 0.00 C ATOM 370 C SER A 26 -8.811 -5.713 10.814 1.00 0.00 C ATOM 371 O SER A 26 -8.950 -6.188 9.686 1.00 0.00 O ATOM 372 CB SER A 26 -10.193 -3.628 10.863 1.00 0.00 C ATOM 373 OG SER A 26 -11.144 -4.389 11.587 1.00 0.00 O ATOM 0 H SER A 26 -8.225 -3.451 9.156 1.00 0.00 H new ATOM 0 HA SER A 26 -8.438 -4.005 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.211 -2.594 11.208 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.461 -3.616 9.806 1.00 0.00 H new ATOM 0 HG SER A 26 -12.035 -4.000 11.465 1.00 0.00 H new ATOM 379 N LYS A 27 -8.676 -6.463 11.902 1.00 0.00 N ATOM 380 CA LYS A 27 -8.685 -7.920 11.834 1.00 0.00 C ATOM 381 C LYS A 27 -9.706 -8.411 10.812 1.00 0.00 C ATOM 382 O LYS A 27 -9.534 -9.469 10.207 1.00 0.00 O ATOM 383 CB LYS A 27 -8.998 -8.514 13.209 1.00 0.00 C ATOM 384 CG LYS A 27 -7.918 -8.252 14.245 1.00 0.00 C ATOM 385 CD LYS A 27 -7.871 -9.353 15.291 1.00 0.00 C ATOM 386 CE LYS A 27 -9.033 -9.245 16.266 1.00 0.00 C ATOM 387 NZ LYS A 27 -8.710 -9.856 17.585 1.00 0.00 N ATOM 0 H LYS A 27 -8.559 -6.086 12.842 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.695 -8.250 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.941 -8.102 13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.139 -9.590 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.949 -8.176 13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.104 -7.294 14.731 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.897 -10.325 14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.930 -9.297 15.838 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.293 -8.196 16.406 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.909 -9.737 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.528 -9.762 18.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.486 -10.863 17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.890 -9.370 18.001 1.00 0.00 H new ATOM 401 N LYS A 28 -10.768 -7.635 10.624 1.00 0.00 N ATOM 402 CA LYS A 28 -11.816 -7.988 9.674 1.00 0.00 C ATOM 403 C LYS A 28 -11.271 -8.016 8.249 1.00 0.00 C ATOM 404 O LYS A 28 -11.388 -9.023 7.550 1.00 0.00 O ATOM 405 CB LYS A 28 -12.975 -6.993 9.769 1.00 0.00 C ATOM 406 CG LYS A 28 -13.991 -7.135 8.648 1.00 0.00 C ATOM 407 CD LYS A 28 -14.737 -8.456 8.737 1.00 0.00 C ATOM 408 CE LYS A 28 -15.882 -8.517 7.736 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.139 -7.951 8.297 1.00 0.00 N ATOM 0 H LYS A 28 -10.926 -6.756 11.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.179 -8.984 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.480 -7.127 10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.575 -5.979 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.702 -6.310 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.484 -7.066 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.046 -9.279 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.127 -8.588 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.607 -7.968 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.050 -9.552 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.895 -8.011 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.416 -8.490 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.986 -6.956 8.557 1.00 0.00 H new ATOM 423 N HIS A 29 -10.675 -6.906 7.826 1.00 0.00 N ATOM 424 CA HIS A 29 -10.111 -6.805 6.485 1.00 0.00 C ATOM 425 C HIS A 29 -8.790 -7.564 6.393 1.00 0.00 C ATOM 426 O HIS A 29 -8.358 -7.947 5.306 1.00 0.00 O ATOM 427 CB HIS A 29 -9.897 -5.339 6.108 1.00 0.00 C ATOM 428 CG HIS A 29 -11.170 -4.559 5.991 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.291 -5.040 5.349 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.496 -3.324 6.439 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.251 -4.135 5.406 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.795 -3.084 6.063 1.00 0.00 N ATOM 0 H HIS A 29 -10.570 -6.064 8.392 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.817 -7.253 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.260 -4.869 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.362 -5.291 5.159 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.367 -5.953 4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.854 -2.652 6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.241 -4.237 4.987 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.322 -2.233 6.259 1.00 0.00 H new ATOM 440 N ALA A 30 -8.155 -7.778 7.540 1.00 0.00 N ATOM 441 CA ALA A 30 -6.885 -8.492 7.589 1.00 0.00 C ATOM 442 C ALA A 30 -6.916 -9.728 6.696 1.00 0.00 C ATOM 443 O ALA A 30 -5.978 -9.984 5.943 1.00 0.00 O ATOM 444 CB ALA A 30 -6.553 -8.881 9.021 1.00 0.00 C ATOM 0 H ALA A 30 -8.499 -7.467 8.448 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.107 -7.826 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.602 -9.413 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.480 -7.983 9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.339 -9.526 9.414 1.00 0.00 H new ATOM 450 N ALA A 31 -8.000 -10.491 6.787 1.00 0.00 N ATOM 451 CA ALA A 31 -8.154 -11.699 5.987 1.00 0.00 C ATOM 452 C ALA A 31 -7.570 -11.511 4.591 1.00 0.00 C ATOM 453 O ALA A 31 -6.788 -12.336 4.118 1.00 0.00 O ATOM 454 CB ALA A 31 -9.621 -12.091 5.899 1.00 0.00 C ATOM 0 H ALA A 31 -8.785 -10.293 7.407 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.604 -12.502 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.721 -12.995 5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.009 -12.276 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.186 -11.283 5.435 1.00 0.00 H new ATOM 460 N TYR A 32 -7.954 -10.421 3.936 1.00 0.00 N ATOM 461 CA TYR A 32 -7.471 -10.126 2.592 1.00 0.00 C ATOM 462 C TYR A 32 -6.652 -8.839 2.578 1.00 0.00 C ATOM 463 O TYR A 32 -6.411 -8.256 1.522 1.00 0.00 O ATOM 464 CB TYR A 32 -8.646 -10.008 1.620 1.00 0.00 C ATOM 465 CG TYR A 32 -9.814 -9.224 2.174 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.827 -7.835 2.132 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.905 -9.873 2.739 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.892 -7.116 2.638 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.975 -9.161 3.246 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.964 -7.783 3.193 1.00 0.00 C ATOM 471 OH TYR A 32 -13.027 -7.069 3.697 1.00 0.00 O ATOM 0 H TYR A 32 -8.599 -9.727 4.314 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.828 -10.947 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.301 -9.531 0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.986 -11.008 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.990 -7.309 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.917 -10.952 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.885 -6.037 2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.816 -9.681 3.682 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.699 -7.689 4.051 1.00 0.00 H new ATOM 481 N ALA A 33 -6.228 -8.402 3.759 1.00 0.00 N ATOM 482 CA ALA A 33 -5.435 -7.186 3.884 1.00 0.00 C ATOM 483 C ALA A 33 -4.104 -7.466 4.575 1.00 0.00 C ATOM 484 O ALA A 33 -3.308 -6.556 4.801 1.00 0.00 O ATOM 485 CB ALA A 33 -6.213 -6.123 4.645 1.00 0.00 C ATOM 0 H ALA A 33 -6.421 -8.872 4.643 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.223 -6.817 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.608 -5.220 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.134 -5.893 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.455 -6.493 5.641 1.00 0.00 H new ATOM 491 N TRP A 34 -3.872 -8.731 4.908 1.00 0.00 N ATOM 492 CA TRP A 34 -2.637 -9.131 5.574 1.00 0.00 C ATOM 493 C TRP A 34 -1.501 -9.284 4.569 1.00 0.00 C ATOM 494 O TRP A 34 -0.330 -9.066 4.877 1.00 0.00 O ATOM 495 CB TRP A 34 -2.845 -10.442 6.332 1.00 0.00 C ATOM 496 CG TRP A 34 -2.979 -11.634 5.433 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.124 -12.323 5.151 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.930 -12.277 4.700 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.850 -13.356 4.286 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.512 -13.348 3.994 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.558 -12.050 4.570 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.766 -14.190 3.173 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.181 -12.886 3.754 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.424 -13.945 3.064 1.00 0.00 C ATOM 0 H TRP A 34 -4.522 -9.496 4.728 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.366 -8.349 6.283 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.005 -10.599 7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.740 -10.359 6.949 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.101 -12.091 5.549 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.532 -14.020 3.921 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.083 -11.236 5.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.230 -15.007 2.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.243 -12.720 3.646 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.181 -14.580 2.434 1.00 0.00 H new ATOM 515 N PRO A 35 -1.851 -9.670 3.333 1.00 0.00 N ATOM 516 CA PRO A 35 -0.786 -9.828 2.339 1.00 0.00 C ATOM 517 C PRO A 35 0.163 -8.635 2.310 1.00 0.00 C ATOM 518 O PRO A 35 1.289 -8.736 1.824 1.00 0.00 O ATOM 519 CB PRO A 35 -1.548 -9.937 1.016 1.00 0.00 C ATOM 520 CG PRO A 35 -2.888 -10.468 1.394 1.00 0.00 C ATOM 521 CD PRO A 35 -3.180 -9.975 2.778 1.00 0.00 C ATOM 0 HA PRO A 35 -0.153 -10.689 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.630 -8.967 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.040 -10.604 0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.650 -10.126 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.894 -11.558 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.818 -9.092 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.697 -10.730 3.370 1.00 0.00 H new ATOM 529 N PHE A 36 -0.300 -7.505 2.835 1.00 0.00 N ATOM 530 CA PHE A 36 0.508 -6.291 2.869 1.00 0.00 C ATOM 531 C PHE A 36 0.728 -5.824 4.305 1.00 0.00 C ATOM 532 O PHE A 36 0.687 -4.628 4.594 1.00 0.00 O ATOM 533 CB PHE A 36 -0.165 -5.182 2.058 1.00 0.00 C ATOM 534 CG PHE A 36 -0.749 -5.660 0.759 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.042 -6.154 0.705 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.005 -5.614 -0.409 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.581 -6.595 -0.488 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.538 -6.053 -1.606 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.829 -6.543 -1.646 1.00 0.00 C ATOM 0 H PHE A 36 -1.230 -7.405 3.242 1.00 0.00 H new ATOM 0 HA PHE A 36 1.478 -6.518 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.955 -4.732 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.565 -4.399 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.636 -6.195 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.004 -5.230 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.590 -6.980 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.054 -6.013 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.250 -6.885 -2.580 1.00 0.00 H new ATOM 549 N TYR A 37 0.960 -6.777 5.201 1.00 0.00 N ATOM 550 CA TYR A 37 1.183 -6.465 6.608 1.00 0.00 C ATOM 551 C TYR A 37 2.665 -6.557 6.958 1.00 0.00 C ATOM 552 O TYR A 37 3.243 -5.625 7.516 1.00 0.00 O ATOM 553 CB TYR A 37 0.377 -7.414 7.497 1.00 0.00 C ATOM 554 CG TYR A 37 -1.001 -6.897 7.841 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.749 -6.184 6.912 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.556 -7.121 9.095 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.009 -5.709 7.222 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.815 -6.651 9.413 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.538 -5.946 8.473 1.00 0.00 C ATOM 560 OH TYR A 37 -4.792 -5.475 8.787 1.00 0.00 O ATOM 0 H TYR A 37 0.999 -7.772 4.978 1.00 0.00 H new ATOM 0 HA TYR A 37 0.850 -5.442 6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.280 -8.376 6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.930 -7.592 8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.338 -5.998 5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.993 -7.672 9.834 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.576 -5.155 6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.231 -6.834 10.392 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.016 -5.729 9.707 1.00 0.00 H new ATOM 570 N LYS A 38 3.275 -7.690 6.625 1.00 0.00 N ATOM 571 CA LYS A 38 4.690 -7.907 6.901 1.00 0.00 C ATOM 572 C LYS A 38 5.533 -7.649 5.657 1.00 0.00 C ATOM 573 O LYS A 38 5.087 -7.842 4.525 1.00 0.00 O ATOM 574 CB LYS A 38 4.920 -9.336 7.400 1.00 0.00 C ATOM 575 CG LYS A 38 4.221 -9.642 8.713 1.00 0.00 C ATOM 576 CD LYS A 38 4.494 -11.065 9.171 1.00 0.00 C ATOM 577 CE LYS A 38 3.456 -12.034 8.627 1.00 0.00 C ATOM 578 NZ LYS A 38 3.856 -12.593 7.306 1.00 0.00 N ATOM 0 H LYS A 38 2.811 -8.472 6.163 1.00 0.00 H new ATOM 0 HA LYS A 38 4.995 -7.205 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.573 -10.037 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.991 -9.502 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.558 -8.942 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.147 -9.496 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.487 -11.371 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.494 -11.104 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.312 -12.848 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.498 -11.523 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.447 -13.542 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.508 -11.973 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.893 -12.655 7.255 1.00 0.00 H new ATOM 592 N PRO A 39 6.781 -7.205 5.867 1.00 0.00 N ATOM 593 CA PRO A 39 7.713 -6.914 4.774 1.00 0.00 C ATOM 594 C PRO A 39 8.178 -8.177 4.057 1.00 0.00 C ATOM 595 O PRO A 39 7.947 -9.291 4.527 1.00 0.00 O ATOM 596 CB PRO A 39 8.889 -6.237 5.481 1.00 0.00 C ATOM 597 CG PRO A 39 8.836 -6.748 6.879 1.00 0.00 C ATOM 598 CD PRO A 39 7.379 -6.954 7.189 1.00 0.00 C ATOM 0 HA PRO A 39 7.253 -6.300 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.836 -6.488 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.796 -5.151 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.391 -7.681 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.286 -6.037 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.227 -7.795 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.942 -6.078 7.668 1.00 0.00 H new ATOM 606 N VAL A 40 8.836 -7.996 2.916 1.00 0.00 N ATOM 607 CA VAL A 40 9.335 -9.122 2.135 1.00 0.00 C ATOM 608 C VAL A 40 10.856 -9.087 2.031 1.00 0.00 C ATOM 609 O VAL A 40 11.425 -8.196 1.399 1.00 0.00 O ATOM 610 CB VAL A 40 8.735 -9.131 0.716 1.00 0.00 C ATOM 611 CG1 VAL A 40 9.283 -10.300 -0.088 1.00 0.00 C ATOM 612 CG2 VAL A 40 7.216 -9.184 0.782 1.00 0.00 C ATOM 0 H VAL A 40 9.036 -7.081 2.512 1.00 0.00 H new ATOM 0 HA VAL A 40 9.029 -10.029 2.656 1.00 0.00 H new ATOM 0 HB VAL A 40 9.023 -8.208 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.848 -10.290 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.367 -10.214 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.027 -11.235 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.808 -9.190 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.906 -10.089 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.844 -8.311 1.318 1.00 0.00 H new ATOM 622 N ASP A 41 11.509 -10.061 2.654 1.00 0.00 N ATOM 623 CA ASP A 41 12.964 -10.144 2.630 1.00 0.00 C ATOM 624 C ASP A 41 13.439 -11.049 1.498 1.00 0.00 C ATOM 625 O ASP A 41 13.727 -12.226 1.711 1.00 0.00 O ATOM 626 CB ASP A 41 13.489 -10.663 3.970 1.00 0.00 C ATOM 627 CG ASP A 41 14.884 -10.158 4.280 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.816 -10.481 3.514 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.045 -9.441 5.290 1.00 0.00 O ATOM 0 H ASP A 41 11.053 -10.805 3.182 1.00 0.00 H new ATOM 0 HA ASP A 41 13.357 -9.142 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.810 -10.357 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.495 -11.753 3.957 1.00 0.00 H new ATOM 634 N ALA A 42 13.517 -10.492 0.295 1.00 0.00 N ATOM 635 CA ALA A 42 13.958 -11.248 -0.871 1.00 0.00 C ATOM 636 C ALA A 42 15.055 -12.240 -0.499 1.00 0.00 C ATOM 637 O ALA A 42 15.049 -13.384 -0.950 1.00 0.00 O ATOM 638 CB ALA A 42 14.444 -10.304 -1.960 1.00 0.00 C ATOM 0 H ALA A 42 13.280 -9.519 0.102 1.00 0.00 H new ATOM 0 HA ALA A 42 13.106 -11.813 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.770 -10.883 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.632 -9.639 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.279 -9.713 -1.583 1.00 0.00 H new ATOM 751 N TYR A 50 13.004 -10.498 -6.736 1.00 0.00 N ATOM 752 CA TYR A 50 11.835 -9.748 -6.292 1.00 0.00 C ATOM 753 C TYR A 50 12.055 -8.247 -6.459 1.00 0.00 C ATOM 754 O TYR A 50 11.205 -7.540 -7.001 1.00 0.00 O ATOM 755 CB TYR A 50 11.522 -10.069 -4.830 1.00 0.00 C ATOM 756 CG TYR A 50 10.426 -9.209 -4.242 1.00 0.00 C ATOM 757 CD1 TYR A 50 10.710 -7.962 -3.699 1.00 0.00 C ATOM 758 CD2 TYR A 50 9.106 -9.643 -4.231 1.00 0.00 C ATOM 759 CE1 TYR A 50 9.712 -7.174 -3.161 1.00 0.00 C ATOM 760 CE2 TYR A 50 8.101 -8.861 -3.696 1.00 0.00 C ATOM 761 CZ TYR A 50 8.409 -7.627 -3.161 1.00 0.00 C ATOM 762 OH TYR A 50 7.412 -6.844 -2.627 1.00 0.00 O ATOM 0 HA TYR A 50 10.988 -10.044 -6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.232 -11.117 -4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.428 -9.944 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.729 -7.603 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.862 -10.609 -4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.950 -6.207 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.080 -9.213 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 50 6.553 -7.309 -2.707 1.00 0.00 H new ATOM 772 N HIS A 51 13.203 -7.768 -5.990 1.00 0.00 N ATOM 773 CA HIS A 51 13.536 -6.351 -6.088 1.00 0.00 C ATOM 774 C HIS A 51 13.601 -5.908 -7.547 1.00 0.00 C ATOM 775 O HIS A 51 13.042 -4.875 -7.917 1.00 0.00 O ATOM 776 CB HIS A 51 14.872 -6.072 -5.398 1.00 0.00 C ATOM 777 CG HIS A 51 14.760 -5.926 -3.912 1.00 0.00 C ATOM 778 ND1 HIS A 51 14.168 -4.839 -3.305 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.166 -6.740 -2.910 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.217 -4.989 -1.993 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.817 -6.135 -1.727 1.00 0.00 N ATOM 0 H HIS A 51 13.917 -8.339 -5.539 1.00 0.00 H new ATOM 0 HA HIS A 51 12.751 -5.782 -5.589 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.564 -6.883 -5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.302 -5.161 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.670 -7.689 -3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.832 -4.293 -1.263 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.993 -6.510 -0.795 1.00 0.00 H new ATOM 789 N ASP A 52 14.286 -6.694 -8.369 1.00 0.00 N ATOM 790 CA ASP A 52 14.423 -6.383 -9.787 1.00 0.00 C ATOM 791 C ASP A 52 13.083 -5.966 -10.384 1.00 0.00 C ATOM 792 O ASP A 52 12.959 -4.885 -10.962 1.00 0.00 O ATOM 793 CB ASP A 52 14.979 -7.590 -10.545 1.00 0.00 C ATOM 794 CG ASP A 52 16.408 -7.911 -10.152 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.709 -7.889 -8.941 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.225 -8.185 -11.057 1.00 0.00 O ATOM 0 H ASP A 52 14.755 -7.552 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 52 15.119 -5.550 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.348 -8.458 -10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.935 -7.395 -11.616 1.00 0.00 H new ATOM 801 N ILE A 53 12.083 -6.829 -10.241 1.00 0.00 N ATOM 802 CA ILE A 53 10.752 -6.549 -10.766 1.00 0.00 C ATOM 803 C ILE A 53 10.079 -5.423 -9.988 1.00 0.00 C ATOM 804 O ILE A 53 9.567 -4.470 -10.575 1.00 0.00 O ATOM 805 CB ILE A 53 9.854 -7.799 -10.718 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.470 -8.929 -11.547 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.457 -7.467 -11.221 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.119 -10.310 -11.040 1.00 0.00 C ATOM 0 H ILE A 53 12.169 -7.728 -9.766 1.00 0.00 H new ATOM 0 HA ILE A 53 10.880 -6.243 -11.804 1.00 0.00 H new ATOM 0 HB ILE A 53 9.777 -8.133 -9.683 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.136 -8.834 -12.580 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.554 -8.817 -11.551 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.834 -8.361 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.019 -6.691 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.516 -7.111 -12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.589 -11.061 -11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.477 -10.424 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.037 -10.442 -11.062 1.00 0.00 H new ATOM 820 N ILE A 54 10.086 -5.540 -8.664 1.00 0.00 N ATOM 821 CA ILE A 54 9.479 -4.531 -7.806 1.00 0.00 C ATOM 822 C ILE A 54 10.469 -3.417 -7.483 1.00 0.00 C ATOM 823 O ILE A 54 11.312 -3.558 -6.597 1.00 0.00 O ATOM 824 CB ILE A 54 8.968 -5.146 -6.489 1.00 0.00 C ATOM 825 CG1 ILE A 54 8.032 -6.321 -6.779 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.259 -4.091 -5.653 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.675 -5.899 -7.298 1.00 0.00 C ATOM 0 H ILE A 54 10.505 -6.323 -8.163 1.00 0.00 H new ATOM 0 HA ILE A 54 8.634 -4.115 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 54 9.822 -5.518 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.503 -6.978 -7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.898 -6.902 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.903 -4.540 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.953 -3.283 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.412 -3.693 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.065 -6.783 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.184 -5.266 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.798 -5.343 -8.228 1.00 0.00 H new ATOM 839 N LYS A 55 10.360 -2.308 -8.206 1.00 0.00 N ATOM 840 CA LYS A 55 11.242 -1.166 -7.996 1.00 0.00 C ATOM 841 C LYS A 55 11.203 -0.709 -6.541 1.00 0.00 C ATOM 842 O LYS A 55 12.213 -0.754 -5.838 1.00 0.00 O ATOM 843 CB LYS A 55 10.843 -0.010 -8.916 1.00 0.00 C ATOM 844 CG LYS A 55 10.806 -0.388 -10.386 1.00 0.00 C ATOM 845 CD LYS A 55 12.152 -0.162 -11.054 1.00 0.00 C ATOM 846 CE LYS A 55 12.161 -0.684 -12.482 1.00 0.00 C ATOM 847 NZ LYS A 55 13.381 -0.258 -13.221 1.00 0.00 N ATOM 0 H LYS A 55 9.668 -2.176 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 55 12.259 -1.476 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.861 0.357 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.546 0.812 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.520 -1.435 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.043 0.201 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.385 0.903 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.933 -0.660 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.105 -1.772 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.275 -0.324 -13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.349 -0.634 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.422 0.781 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.226 -0.623 -12.736 1.00 0.00 H new ATOM 861 N HIS A 56 10.030 -0.271 -6.094 1.00 0.00 N ATOM 862 CA HIS A 56 9.860 0.193 -4.722 1.00 0.00 C ATOM 863 C HIS A 56 8.631 -0.446 -4.081 1.00 0.00 C ATOM 864 O HIS A 56 7.498 -0.010 -4.284 1.00 0.00 O ATOM 865 CB HIS A 56 9.733 1.716 -4.687 1.00 0.00 C ATOM 866 CG HIS A 56 10.615 2.413 -5.678 1.00 0.00 C ATOM 867 ND1 HIS A 56 11.989 2.302 -5.670 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.310 3.231 -6.712 1.00 0.00 C ATOM 869 CE1 HIS A 56 12.492 3.024 -6.656 1.00 0.00 C ATOM 870 NE2 HIS A 56 11.494 3.598 -7.303 1.00 0.00 N ATOM 0 H HIS A 56 9.184 -0.228 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 56 10.741 -0.103 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.696 1.991 -4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.976 2.070 -3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.320 3.538 -7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.541 3.127 -6.892 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.587 4.214 -8.111 1.00 0.00 H new ATOM 878 N PRO A 57 8.859 -1.506 -3.291 1.00 0.00 N ATOM 879 CA PRO A 57 7.782 -2.227 -2.605 1.00 0.00 C ATOM 880 C PRO A 57 7.153 -1.404 -1.487 1.00 0.00 C ATOM 881 O PRO A 57 7.856 -0.813 -0.667 1.00 0.00 O ATOM 882 CB PRO A 57 8.490 -3.457 -2.031 1.00 0.00 C ATOM 883 CG PRO A 57 9.912 -3.040 -1.880 1.00 0.00 C ATOM 884 CD PRO A 57 10.184 -2.080 -3.005 1.00 0.00 C ATOM 0 HA PRO A 57 6.959 -2.467 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.060 -3.750 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.398 -4.314 -2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.079 -2.565 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.579 -3.901 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.900 -1.312 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.598 -2.588 -3.876 1.00 0.00 H new ATOM 892 N MET A 58 5.825 -1.370 -1.458 1.00 0.00 N ATOM 893 CA MET A 58 5.102 -0.619 -0.438 1.00 0.00 C ATOM 894 C MET A 58 4.277 -1.554 0.441 1.00 0.00 C ATOM 895 O MET A 58 3.812 -2.599 -0.013 1.00 0.00 O ATOM 896 CB MET A 58 4.191 0.422 -1.091 1.00 0.00 C ATOM 897 CG MET A 58 3.441 1.286 -0.090 1.00 0.00 C ATOM 898 SD MET A 58 4.540 2.327 0.891 1.00 0.00 S ATOM 899 CE MET A 58 5.466 3.152 -0.401 1.00 0.00 C ATOM 0 H MET A 58 5.228 -1.853 -2.129 1.00 0.00 H new ATOM 0 HA MET A 58 5.833 -0.109 0.190 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.791 1.064 -1.736 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.470 -0.088 -1.730 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.729 1.917 -0.622 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.863 0.645 0.576 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.874 4.086 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.281 2.509 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.807 3.364 -1.243 1.00 0.00 H new ATOM 909 N ASP A 59 4.100 -1.170 1.701 1.00 0.00 N ATOM 910 CA ASP A 59 3.330 -1.974 2.643 1.00 0.00 C ATOM 911 C ASP A 59 2.691 -1.093 3.712 1.00 0.00 C ATOM 912 O ASP A 59 3.296 -0.127 4.180 1.00 0.00 O ATOM 913 CB ASP A 59 4.226 -3.025 3.300 1.00 0.00 C ATOM 914 CG ASP A 59 4.972 -3.867 2.283 1.00 0.00 C ATOM 915 OD1 ASP A 59 4.309 -4.498 1.434 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.219 -3.893 2.337 1.00 0.00 O ATOM 0 H ASP A 59 4.479 -0.308 2.093 1.00 0.00 H new ATOM 0 HA ASP A 59 2.537 -2.478 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.944 -2.529 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.618 -3.675 3.929 1.00 0.00 H new ATOM 921 N LEU A 60 1.464 -1.431 4.094 1.00 0.00 N ATOM 922 CA LEU A 60 0.741 -0.671 5.108 1.00 0.00 C ATOM 923 C LEU A 60 1.695 -0.137 6.171 1.00 0.00 C ATOM 924 O LEU A 60 1.710 1.059 6.462 1.00 0.00 O ATOM 925 CB LEU A 60 -0.331 -1.544 5.761 1.00 0.00 C ATOM 926 CG LEU A 60 -1.656 -1.657 5.006 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.276 -0.282 4.807 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.450 -2.349 3.667 1.00 0.00 C ATOM 0 H LEU A 60 0.949 -2.227 3.717 1.00 0.00 H new ATOM 0 HA LEU A 60 0.261 0.176 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.076 -2.547 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.535 -1.150 6.756 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.341 -2.260 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.218 -0.382 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.461 0.178 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.594 0.345 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.404 -2.420 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.748 -1.773 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.051 -3.350 3.832 1.00 0.00 H new ATOM 940 N SER A 61 2.492 -1.032 6.747 1.00 0.00 N ATOM 941 CA SER A 61 3.448 -0.651 7.780 1.00 0.00 C ATOM 942 C SER A 61 4.088 0.696 7.458 1.00 0.00 C ATOM 943 O SER A 61 3.925 1.667 8.198 1.00 0.00 O ATOM 944 CB SER A 61 4.532 -1.722 7.921 1.00 0.00 C ATOM 945 OG SER A 61 5.628 -1.242 8.681 1.00 0.00 O ATOM 0 H SER A 61 2.494 -2.025 6.516 1.00 0.00 H new ATOM 0 HA SER A 61 2.910 -0.562 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.113 -2.607 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.877 -2.027 6.933 1.00 0.00 H new ATOM 0 HG SER A 61 6.306 -1.946 8.758 1.00 0.00 H new ATOM 951 N THR A 62 4.817 0.748 6.348 1.00 0.00 N ATOM 952 CA THR A 62 5.483 1.975 5.927 1.00 0.00 C ATOM 953 C THR A 62 4.518 3.155 5.937 1.00 0.00 C ATOM 954 O THR A 62 4.742 4.147 6.630 1.00 0.00 O ATOM 955 CB THR A 62 6.086 1.831 4.517 1.00 0.00 C ATOM 956 OG1 THR A 62 7.006 0.734 4.488 1.00 0.00 O ATOM 957 CG2 THR A 62 6.800 3.109 4.102 1.00 0.00 C ATOM 0 H THR A 62 4.962 -0.046 5.724 1.00 0.00 H new ATOM 0 HA THR A 62 6.286 2.160 6.640 1.00 0.00 H new ATOM 0 HB THR A 62 5.274 1.642 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.384 0.648 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.218 2.984 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.091 3.937 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.603 3.323 4.807 1.00 0.00 H new ATOM 965 N VAL A 63 3.442 3.041 5.165 1.00 0.00 N ATOM 966 CA VAL A 63 2.442 4.098 5.086 1.00 0.00 C ATOM 967 C VAL A 63 2.148 4.680 6.464 1.00 0.00 C ATOM 968 O VAL A 63 2.426 5.850 6.728 1.00 0.00 O ATOM 969 CB VAL A 63 1.128 3.583 4.468 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.045 4.648 4.551 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.352 3.150 3.027 1.00 0.00 C ATOM 0 H VAL A 63 3.241 2.226 4.585 1.00 0.00 H new ATOM 0 HA VAL A 63 2.855 4.877 4.446 1.00 0.00 H new ATOM 0 HB VAL A 63 0.794 2.715 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.876 4.266 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.133 4.905 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.366 5.537 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.414 2.789 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.709 3.999 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.094 2.352 2.998 1.00 0.00 H new ATOM 981 N LYS A 64 1.584 3.856 7.340 1.00 0.00 N ATOM 982 CA LYS A 64 1.254 4.287 8.693 1.00 0.00 C ATOM 983 C LYS A 64 2.357 5.169 9.268 1.00 0.00 C ATOM 984 O LYS A 64 2.119 6.323 9.627 1.00 0.00 O ATOM 985 CB LYS A 64 1.033 3.073 9.598 1.00 0.00 C ATOM 986 CG LYS A 64 0.519 3.431 10.982 1.00 0.00 C ATOM 987 CD LYS A 64 0.037 2.201 11.733 1.00 0.00 C ATOM 988 CE LYS A 64 1.197 1.438 12.355 1.00 0.00 C ATOM 989 NZ LYS A 64 0.742 0.188 13.025 1.00 0.00 N ATOM 0 H LYS A 64 1.346 2.885 7.137 1.00 0.00 H new ATOM 0 HA LYS A 64 0.334 4.870 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.323 2.398 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.972 2.529 9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.311 3.918 11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.297 4.148 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.663 2.501 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.506 1.547 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.926 1.192 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.704 2.075 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.561 -0.303 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.066 0.425 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.281 -0.431 12.328 1.00 0.00 H new ATOM 1003 N ARG A 65 3.565 4.620 9.352 1.00 0.00 N ATOM 1004 CA ARG A 65 4.705 5.357 9.883 1.00 0.00 C ATOM 1005 C ARG A 65 4.828 6.723 9.213 1.00 0.00 C ATOM 1006 O ARG A 65 5.041 7.736 9.880 1.00 0.00 O ATOM 1007 CB ARG A 65 5.994 4.560 9.680 1.00 0.00 C ATOM 1008 CG ARG A 65 6.073 3.304 10.532 1.00 0.00 C ATOM 1009 CD ARG A 65 6.256 3.639 12.004 1.00 0.00 C ATOM 1010 NE ARG A 65 6.131 2.459 12.855 1.00 0.00 N ATOM 1011 CZ ARG A 65 7.106 1.574 13.031 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.272 1.736 12.420 1.00 0.00 N ATOM 1013 NH2 ARG A 65 6.917 0.525 13.821 1.00 0.00 N ATOM 0 H ARG A 65 3.779 3.667 9.059 1.00 0.00 H new ATOM 0 HA ARG A 65 4.544 5.507 10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.078 4.282 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.847 5.199 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.164 2.717 10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.903 2.685 10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.237 4.091 12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.515 4.380 12.302 1.00 0.00 H new ATOM 0 HE ARG A 65 5.247 2.306 13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.422 2.542 11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.019 1.055 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.022 0.397 14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.666 -0.154 13.955 1.00 0.00 H new ATOM 1027 N LYS A 66 4.694 6.743 7.891 1.00 0.00 N ATOM 1028 CA LYS A 66 4.790 7.983 7.131 1.00 0.00 C ATOM 1029 C LYS A 66 3.692 8.959 7.540 1.00 0.00 C ATOM 1030 O LYS A 66 3.971 10.089 7.939 1.00 0.00 O ATOM 1031 CB LYS A 66 4.696 7.693 5.631 1.00 0.00 C ATOM 1032 CG LYS A 66 5.764 6.737 5.128 1.00 0.00 C ATOM 1033 CD LYS A 66 6.110 7.003 3.672 1.00 0.00 C ATOM 1034 CE LYS A 66 4.890 6.860 2.775 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.271 6.577 1.363 1.00 0.00 N ATOM 0 H LYS A 66 4.518 5.914 7.324 1.00 0.00 H new ATOM 0 HA LYS A 66 5.756 8.439 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.714 7.275 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.773 8.632 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.660 6.837 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.416 5.710 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.521 8.008 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.885 6.308 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.257 6.055 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.300 7.775 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.074 7.413 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.285 6.352 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.720 5.769 1.010 1.00 0.00 H new ATOM 1049 N MET A 67 2.444 8.514 7.441 1.00 0.00 N ATOM 1050 CA MET A 67 1.304 9.348 7.804 1.00 0.00 C ATOM 1051 C MET A 67 1.466 9.904 9.215 1.00 0.00 C ATOM 1052 O MET A 67 1.155 11.067 9.473 1.00 0.00 O ATOM 1053 CB MET A 67 0.005 8.545 7.705 1.00 0.00 C ATOM 1054 CG MET A 67 -1.223 9.319 8.158 1.00 0.00 C ATOM 1055 SD MET A 67 -1.420 10.883 7.283 1.00 0.00 S ATOM 1056 CE MET A 67 -2.934 10.576 6.377 1.00 0.00 C ATOM 0 H MET A 67 2.196 7.581 7.112 1.00 0.00 H new ATOM 0 HA MET A 67 1.259 10.184 7.106 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.137 8.225 6.673 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.099 7.642 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.111 8.706 8.004 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.151 9.512 9.228 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.713 10.504 5.312 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.379 9.642 6.719 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.633 11.395 6.548 1.00 0.00 H new ATOM 1066 N ASP A 68 1.952 9.067 10.124 1.00 0.00 N ATOM 1067 CA ASP A 68 2.155 9.476 11.509 1.00 0.00 C ATOM 1068 C ASP A 68 3.022 10.729 11.584 1.00 0.00 C ATOM 1069 O ASP A 68 2.762 11.629 12.382 1.00 0.00 O ATOM 1070 CB ASP A 68 2.803 8.344 12.308 1.00 0.00 C ATOM 1071 CG ASP A 68 1.780 7.399 12.907 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.844 7.001 12.183 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.917 7.056 14.100 1.00 0.00 O ATOM 0 H ASP A 68 2.213 8.101 9.927 1.00 0.00 H new ATOM 0 HA ASP A 68 1.181 9.704 11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.475 7.783 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.412 8.769 13.106 1.00 0.00 H new ATOM 1078 N GLY A 69 4.055 10.779 10.748 1.00 0.00 N ATOM 1079 CA GLY A 69 4.945 11.925 10.737 1.00 0.00 C ATOM 1080 C GLY A 69 4.530 12.971 9.721 1.00 0.00 C ATOM 1081 O GLY A 69 5.373 13.683 9.174 1.00 0.00 O ATOM 0 H GLY A 69 4.291 10.047 10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.965 12.375 11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.959 11.592 10.517 1.00 0.00 H new ATOM 1085 N ARG A 70 3.229 13.064 9.467 1.00 0.00 N ATOM 1086 CA ARG A 70 2.705 14.029 8.508 1.00 0.00 C ATOM 1087 C ARG A 70 3.558 14.056 7.243 1.00 0.00 C ATOM 1088 O ARG A 70 3.735 15.106 6.626 1.00 0.00 O ATOM 1089 CB ARG A 70 2.654 15.424 9.132 1.00 0.00 C ATOM 1090 CG ARG A 70 1.779 15.505 10.373 1.00 0.00 C ATOM 1091 CD ARG A 70 0.383 14.965 10.106 1.00 0.00 C ATOM 1092 NE ARG A 70 0.289 13.534 10.380 1.00 0.00 N ATOM 1093 CZ ARG A 70 0.173 13.025 11.602 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.137 13.828 12.657 1.00 0.00 N ATOM 1095 NH2 ARG A 70 0.092 11.712 11.771 1.00 0.00 N ATOM 0 H ARG A 70 2.518 12.483 9.912 1.00 0.00 H new ATOM 0 HA ARG A 70 1.694 13.723 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.666 15.734 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.284 16.131 8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.240 14.939 11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.712 16.541 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.337 15.501 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.114 15.154 9.067 1.00 0.00 H new ATOM 0 HE ARG A 70 0.314 12.889 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.198 14.838 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.048 13.435 13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.119 11.091 10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.003 11.323 12.710 1.00 0.00 H new ATOM 1109 N GLU A 71 4.084 12.896 6.865 1.00 0.00 N ATOM 1110 CA GLU A 71 4.920 12.788 5.674 1.00 0.00 C ATOM 1111 C GLU A 71 4.137 13.177 4.423 1.00 0.00 C ATOM 1112 O GLU A 71 4.659 13.854 3.537 1.00 0.00 O ATOM 1113 CB GLU A 71 5.459 11.364 5.529 1.00 0.00 C ATOM 1114 CG GLU A 71 6.701 11.096 6.362 1.00 0.00 C ATOM 1115 CD GLU A 71 7.984 11.367 5.600 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.179 12.517 5.156 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.793 10.427 5.448 1.00 0.00 O ATOM 0 H GLU A 71 3.947 12.018 7.365 1.00 0.00 H new ATOM 0 HA GLU A 71 5.758 13.476 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.680 10.658 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.688 11.176 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.675 11.719 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.693 10.058 6.696 1.00 0.00 H new ATOM 1124 N TYR A 72 2.883 12.744 4.359 1.00 0.00 N ATOM 1125 CA TYR A 72 2.029 13.044 3.216 1.00 0.00 C ATOM 1126 C TYR A 72 1.574 14.500 3.242 1.00 0.00 C ATOM 1127 O TYR A 72 1.018 14.985 4.228 1.00 0.00 O ATOM 1128 CB TYR A 72 0.811 12.117 3.206 1.00 0.00 C ATOM 1129 CG TYR A 72 1.165 10.654 3.065 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.894 10.198 1.973 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.770 9.728 4.022 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.218 8.861 1.839 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.091 8.390 3.897 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.815 7.962 2.804 1.00 0.00 C ATOM 1135 OH TYR A 72 2.137 6.630 2.676 1.00 0.00 O ATOM 0 H TYR A 72 2.435 12.184 5.085 1.00 0.00 H new ATOM 0 HA TYR A 72 2.610 12.881 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.249 12.259 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.153 12.404 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.213 10.900 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.202 10.060 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.784 8.522 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.777 7.683 4.651 1.00 0.00 H new ATOM 0 HH TYR A 72 2.429 6.451 1.758 1.00 0.00 H new ATOM 1145 N PRO A 73 1.815 15.214 2.133 1.00 0.00 N ATOM 1146 CA PRO A 73 1.437 16.624 2.002 1.00 0.00 C ATOM 1147 C PRO A 73 -0.073 16.815 1.915 1.00 0.00 C ATOM 1148 O PRO A 73 -0.606 17.835 2.351 1.00 0.00 O ATOM 1149 CB PRO A 73 2.106 17.050 0.693 1.00 0.00 C ATOM 1150 CG PRO A 73 2.245 15.790 -0.089 1.00 0.00 C ATOM 1151 CD PRO A 73 2.473 14.699 0.920 1.00 0.00 C ATOM 0 HA PRO A 73 1.747 17.211 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.501 17.782 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.076 17.511 0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.349 15.596 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.078 15.855 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.036 13.754 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.535 14.519 1.085 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.758 15.826 1.350 1.00 0.00 N ATOM 1160 CA ASP A 74 -2.208 15.885 1.207 1.00 0.00 C ATOM 1161 C ASP A 74 -2.774 14.513 0.853 1.00 0.00 C ATOM 1162 O ASP A 74 -2.028 13.563 0.622 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.595 16.903 0.134 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.953 16.605 -1.206 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.707 16.564 -1.271 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -2.697 16.413 -2.191 1.00 0.00 O ATOM 0 H ASP A 74 -0.332 14.974 0.984 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.631 16.198 2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.679 16.912 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.301 17.900 0.461 1.00 0.00 H new ATOM 1171 N ALA A 75 -4.099 14.419 0.813 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.766 13.164 0.486 1.00 0.00 C ATOM 1173 C ALA A 75 -4.101 12.483 -0.705 1.00 0.00 C ATOM 1174 O ALA A 75 -3.885 11.272 -0.698 1.00 0.00 O ATOM 1175 CB ALA A 75 -6.241 13.409 0.202 1.00 0.00 C ATOM 0 H ALA A 75 -4.732 15.196 1.003 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.679 12.499 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.727 12.464 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.714 13.844 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.341 14.095 -0.640 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.781 13.270 -1.727 1.00 0.00 N ATOM 1182 CA GLN A 76 -3.142 12.742 -2.927 1.00 0.00 C ATOM 1183 C GLN A 76 -1.860 11.994 -2.576 1.00 0.00 C ATOM 1184 O GLN A 76 -1.584 10.925 -3.120 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.834 13.874 -3.907 1.00 0.00 C ATOM 1186 CG GLN A 76 -4.072 14.603 -4.404 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.916 13.752 -5.332 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.781 13.823 -6.554 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.795 12.941 -4.755 1.00 0.00 N ATOM 0 H GLN A 76 -3.954 14.275 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.832 12.042 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.170 14.591 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.295 13.466 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.675 14.911 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.770 15.512 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.873 12.914 -3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.392 12.345 -5.328 1.00 0.00 H new ATOM 1198 N GLY A 77 -1.079 12.563 -1.662 1.00 0.00 N ATOM 1199 CA GLY A 77 0.165 11.936 -1.255 1.00 0.00 C ATOM 1200 C GLY A 77 -0.051 10.571 -0.632 1.00 0.00 C ATOM 1201 O GLY A 77 0.637 9.609 -0.973 1.00 0.00 O ATOM 0 H GLY A 77 -1.286 13.447 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.819 11.837 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.677 12.581 -0.541 1.00 0.00 H new ATOM 1205 N PHE A 78 -1.007 10.487 0.287 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.310 9.230 0.962 1.00 0.00 C ATOM 1207 C PHE A 78 -1.790 8.179 -0.034 1.00 0.00 C ATOM 1208 O PHE A 78 -1.203 7.104 -0.150 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.372 9.449 2.041 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.972 8.173 2.560 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.262 7.363 3.431 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.246 7.785 2.177 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -2.812 6.188 3.909 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.800 6.612 2.652 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.083 5.813 3.520 1.00 0.00 C ATOM 0 H PHE A 78 -1.585 11.274 0.582 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.395 8.869 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.927 9.996 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.166 10.076 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.268 7.652 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.812 8.407 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.248 5.564 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.793 6.320 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.515 4.897 3.894 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.862 8.499 -0.752 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.421 7.584 -1.739 1.00 0.00 C ATOM 1227 C ALA A 79 -2.381 7.205 -2.787 1.00 0.00 C ATOM 1228 O ALA A 79 -2.328 6.061 -3.238 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.641 8.206 -2.404 1.00 0.00 C ATOM 0 H ALA A 79 -3.360 9.385 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.726 6.674 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.048 7.512 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.397 8.420 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.352 9.132 -2.901 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.555 8.173 -3.172 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.515 7.940 -4.166 1.00 0.00 C ATOM 1237 C ALA A 80 0.227 6.637 -3.889 1.00 0.00 C ATOM 1238 O ALA A 80 0.227 5.724 -4.715 1.00 0.00 O ATOM 1239 CB ALA A 80 0.459 9.108 -4.195 1.00 0.00 C ATOM 0 H ALA A 80 -1.586 9.126 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.993 7.855 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.230 8.920 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.077 10.023 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.923 9.220 -3.215 1.00 0.00 H new ATOM 1245 N ASP A 81 0.859 6.558 -2.723 1.00 0.00 N ATOM 1246 CA ASP A 81 1.606 5.366 -2.337 1.00 0.00 C ATOM 1247 C ASP A 81 0.697 4.140 -2.313 1.00 0.00 C ATOM 1248 O ASP A 81 0.935 3.164 -3.025 1.00 0.00 O ATOM 1249 CB ASP A 81 2.251 5.565 -0.965 1.00 0.00 C ATOM 1250 CG ASP A 81 3.543 6.355 -1.042 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.478 7.601 -1.026 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.620 5.726 -1.120 1.00 0.00 O ATOM 0 H ASP A 81 0.869 7.305 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 81 2.389 5.201 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.551 6.082 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.450 4.592 -0.515 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.344 4.198 -1.489 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.288 3.093 -1.371 1.00 0.00 C ATOM 1259 C VAL A 82 -1.467 2.379 -2.707 1.00 0.00 C ATOM 1260 O VAL A 82 -1.233 1.175 -2.815 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.661 3.579 -0.873 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.632 2.413 -0.759 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.520 4.297 0.461 1.00 0.00 C ATOM 0 H VAL A 82 -0.555 4.998 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.872 2.397 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.062 4.285 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.597 2.776 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.756 1.946 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.240 1.680 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.500 4.634 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.097 3.615 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.861 5.157 0.343 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.884 3.130 -3.721 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.096 2.569 -5.050 1.00 0.00 C ATOM 1275 C ARG A 83 -0.931 1.669 -5.452 1.00 0.00 C ATOM 1276 O ARG A 83 -1.112 0.477 -5.705 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.267 3.689 -6.078 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.699 4.181 -6.209 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.776 5.462 -7.024 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.948 5.195 -8.450 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.732 6.100 -9.398 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -3.336 7.323 -9.075 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -3.910 5.780 -10.674 1.00 0.00 N ATOM 0 H ARG A 83 -2.082 4.128 -3.648 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.005 1.968 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.628 4.527 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.923 3.335 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.308 3.410 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.118 4.354 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.607 6.070 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.867 6.044 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.250 4.263 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.196 7.572 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.171 8.015 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.213 4.839 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.744 6.475 -11.402 1.00 0.00 H new ATOM 1297 N LEU A 84 0.264 2.246 -5.509 1.00 0.00 N ATOM 1298 CA LEU A 84 1.459 1.497 -5.881 1.00 0.00 C ATOM 1299 C LEU A 84 1.440 0.101 -5.266 1.00 0.00 C ATOM 1300 O LEU A 84 1.484 -0.902 -5.978 1.00 0.00 O ATOM 1301 CB LEU A 84 2.715 2.247 -5.433 1.00 0.00 C ATOM 1302 CG LEU A 84 4.016 1.856 -6.135 1.00 0.00 C ATOM 1303 CD1 LEU A 84 5.078 2.923 -5.924 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.507 0.505 -5.634 1.00 0.00 C ATOM 0 H LEU A 84 0.431 3.231 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 84 1.471 1.396 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.550 3.314 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.843 2.093 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 84 3.820 1.775 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.997 2.627 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.727 3.871 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.272 3.037 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.434 0.243 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.687 0.559 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.753 -0.255 -5.838 1.00 0.00 H new ATOM 1316 N MET A 85 1.372 0.045 -3.940 1.00 0.00 N ATOM 1317 CA MET A 85 1.343 -1.228 -3.230 1.00 0.00 C ATOM 1318 C MET A 85 0.527 -2.262 -3.999 1.00 0.00 C ATOM 1319 O MET A 85 1.017 -3.347 -4.311 1.00 0.00 O ATOM 1320 CB MET A 85 0.759 -1.041 -1.828 1.00 0.00 C ATOM 1321 CG MET A 85 0.756 -2.314 -0.996 1.00 0.00 C ATOM 1322 SD MET A 85 0.031 -2.074 0.637 1.00 0.00 S ATOM 1323 CE MET A 85 -1.626 -1.554 0.199 1.00 0.00 C ATOM 0 H MET A 85 1.336 0.866 -3.336 1.00 0.00 H new ATOM 0 HA MET A 85 2.367 -1.591 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.331 -0.276 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.263 -0.671 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.201 -3.088 -1.526 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.779 -2.674 -0.886 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.342 -2.001 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.694 -0.468 0.259 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.852 -1.876 -0.818 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.720 -1.918 -4.303 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.604 -2.817 -5.035 1.00 0.00 C ATOM 1335 C PHE A 86 -1.002 -3.190 -6.387 1.00 0.00 C ATOM 1336 O PHE A 86 -1.005 -4.357 -6.778 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.975 -2.166 -5.237 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.810 -2.130 -3.989 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.394 -3.286 -3.496 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.012 -0.939 -3.310 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.163 -3.256 -2.348 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.780 -0.903 -2.161 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.357 -2.063 -1.681 1.00 0.00 C ATOM 0 H PHE A 86 -1.141 -1.023 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.724 -3.727 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.835 -1.148 -5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.516 -2.710 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.246 -4.222 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.565 -0.029 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.611 -4.164 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.929 0.031 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.959 -2.036 -0.785 1.00 0.00 H new ATOM 1353 N SER A 87 -0.488 -2.190 -7.095 1.00 0.00 N ATOM 1354 CA SER A 87 0.114 -2.412 -8.405 1.00 0.00 C ATOM 1355 C SER A 87 1.212 -3.467 -8.327 1.00 0.00 C ATOM 1356 O SER A 87 1.294 -4.357 -9.172 1.00 0.00 O ATOM 1357 CB SER A 87 0.686 -1.104 -8.955 1.00 0.00 C ATOM 1358 OG SER A 87 1.076 -1.247 -10.309 1.00 0.00 O ATOM 0 H SER A 87 -0.476 -1.219 -6.784 1.00 0.00 H new ATOM 0 HA SER A 87 -0.664 -2.772 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.059 -0.313 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.544 -0.799 -8.356 1.00 0.00 H new ATOM 0 HG SER A 87 1.437 -0.397 -10.637 1.00 0.00 H new ATOM 1364 N ASN A 88 2.056 -3.360 -7.305 1.00 0.00 N ATOM 1365 CA ASN A 88 3.151 -4.304 -7.115 1.00 0.00 C ATOM 1366 C ASN A 88 2.627 -5.734 -7.025 1.00 0.00 C ATOM 1367 O ASN A 88 3.094 -6.623 -7.737 1.00 0.00 O ATOM 1368 CB ASN A 88 3.937 -3.957 -5.849 1.00 0.00 C ATOM 1369 CG ASN A 88 5.041 -2.950 -6.113 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.619 -2.916 -7.199 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.338 -2.124 -5.116 1.00 0.00 N ATOM 0 H ASN A 88 2.002 -2.629 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 88 3.813 -4.232 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.255 -3.556 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.370 -4.866 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.072 -1.425 -5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.832 -2.188 -4.233 1.00 0.00 H new ATOM 1378 N CYS A 89 1.653 -5.947 -6.146 1.00 0.00 N ATOM 1379 CA CYS A 89 1.065 -7.269 -5.962 1.00 0.00 C ATOM 1380 C CYS A 89 1.000 -8.024 -7.286 1.00 0.00 C ATOM 1381 O CYS A 89 1.745 -8.979 -7.505 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.336 -7.148 -5.361 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.288 -8.684 -5.392 1.00 0.00 S ATOM 0 H CYS A 89 1.254 -5.221 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 89 1.700 -7.829 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.249 -6.808 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.887 -6.380 -5.904 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.130 -8.653 -6.382 1.00 0.00 H new ATOM 1389 N TYR A 90 0.103 -7.590 -8.165 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.063 -8.227 -9.466 1.00 0.00 C ATOM 1391 C TYR A 90 1.236 -8.180 -10.265 1.00 0.00 C ATOM 1392 O TYR A 90 1.571 -9.122 -10.984 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.184 -7.545 -10.252 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.319 -7.052 -9.384 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.952 -7.902 -8.485 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.758 -5.736 -9.461 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.991 -7.456 -7.691 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.795 -5.281 -8.670 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.409 -6.145 -7.787 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.442 -5.697 -6.996 1.00 0.00 O ATOM 0 H TYR A 90 -0.520 -6.800 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.329 -9.271 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.768 -6.703 -10.805 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.578 -8.246 -10.988 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.626 -8.929 -8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.280 -5.057 -10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.473 -8.130 -6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.123 -4.255 -8.742 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.612 -4.751 -7.185 1.00 0.00 H new ATOM 1410 N LYS A 91 1.964 -7.077 -10.133 1.00 0.00 N ATOM 1411 CA LYS A 91 3.228 -6.905 -10.840 1.00 0.00 C ATOM 1412 C LYS A 91 4.104 -8.145 -10.697 1.00 0.00 C ATOM 1413 O LYS A 91 4.595 -8.687 -11.687 1.00 0.00 O ATOM 1414 CB LYS A 91 3.971 -5.678 -10.307 1.00 0.00 C ATOM 1415 CG LYS A 91 5.044 -5.159 -11.249 1.00 0.00 C ATOM 1416 CD LYS A 91 6.080 -4.328 -10.511 1.00 0.00 C ATOM 1417 CE LYS A 91 7.003 -3.602 -11.478 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.691 -2.452 -10.829 1.00 0.00 N ATOM 0 H LYS A 91 1.701 -6.288 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 91 3.007 -6.758 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.251 -4.882 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.430 -5.929 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.534 -5.999 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.582 -4.556 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.578 -3.602 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.669 -4.973 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.746 -4.300 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.427 -3.246 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.729 -1.651 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.167 -2.171 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.658 -2.730 -10.566 1.00 0.00 H new ATOM 1432 N TYR A 92 4.296 -8.589 -9.460 1.00 0.00 N ATOM 1433 CA TYR A 92 5.114 -9.765 -9.188 1.00 0.00 C ATOM 1434 C TYR A 92 4.264 -11.032 -9.190 1.00 0.00 C ATOM 1435 O TYR A 92 4.484 -11.938 -9.992 1.00 0.00 O ATOM 1436 CB TYR A 92 5.826 -9.617 -7.842 1.00 0.00 C ATOM 1437 CG TYR A 92 6.946 -10.611 -7.637 1.00 0.00 C ATOM 1438 CD1 TYR A 92 8.208 -10.385 -8.172 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.742 -11.777 -6.909 1.00 0.00 C ATOM 1440 CE1 TYR A 92 9.235 -11.292 -7.988 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.763 -12.688 -6.718 1.00 0.00 C ATOM 1442 CZ TYR A 92 9.007 -12.441 -7.260 1.00 0.00 C ATOM 1443 OH TYR A 92 10.026 -13.346 -7.073 1.00 0.00 O ATOM 0 H TYR A 92 3.896 -8.152 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 92 5.860 -9.848 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.229 -8.607 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.097 -9.733 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.390 -9.485 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.768 -11.974 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.210 -11.102 -8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.588 -13.588 -6.148 1.00 0.00 H new ATOM 0 HH TYR A 92 9.700 -14.099 -6.537 1.00 0.00 H new ATOM 1453 N ASN A 93 3.293 -11.086 -8.284 1.00 0.00 N ATOM 1454 CA ASN A 93 2.409 -12.242 -8.180 1.00 0.00 C ATOM 1455 C ASN A 93 1.633 -12.452 -9.477 1.00 0.00 C ATOM 1456 O ASN A 93 1.173 -11.504 -10.115 1.00 0.00 O ATOM 1457 CB ASN A 93 1.435 -12.062 -7.014 1.00 0.00 C ATOM 1458 CG ASN A 93 2.146 -11.776 -5.706 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.989 -12.556 -5.261 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.809 -10.653 -5.082 1.00 0.00 N ATOM 0 H ASN A 93 3.098 -10.344 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 93 3.024 -13.123 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.751 -11.244 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.831 -12.963 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.254 -10.408 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.105 -10.036 -5.487 1.00 0.00 H new ATOM 1467 N PRO A 94 1.483 -13.723 -9.878 1.00 0.00 N ATOM 1468 CA PRO A 94 0.763 -14.088 -11.101 1.00 0.00 C ATOM 1469 C PRO A 94 -0.738 -13.845 -10.984 1.00 0.00 C ATOM 1470 O PRO A 94 -1.271 -13.615 -9.899 1.00 0.00 O ATOM 1471 CB PRO A 94 1.052 -15.584 -11.251 1.00 0.00 C ATOM 1472 CG PRO A 94 1.338 -16.054 -9.866 1.00 0.00 C ATOM 1473 CD PRO A 94 2.005 -14.902 -9.167 1.00 0.00 C ATOM 0 HA PRO A 94 1.082 -13.491 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.200 -16.111 -11.680 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.901 -15.759 -11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.420 -16.342 -9.354 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.985 -16.931 -9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.754 -14.876 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.091 -14.965 -9.236 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.438 -13.897 -12.128 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.887 -13.686 -12.179 1.00 0.00 C ATOM 1483 C PRO A 95 -3.663 -14.831 -11.538 1.00 0.00 C ATOM 1484 O PRO A 95 -4.887 -14.773 -11.416 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.182 -13.613 -13.679 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.080 -14.384 -14.320 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.867 -14.166 -13.458 1.00 0.00 C ATOM 0 HA PRO A 95 -3.189 -12.796 -11.628 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.155 -14.045 -13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.199 -12.581 -14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.329 -15.443 -14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.903 -14.038 -15.338 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.219 -15.042 -13.447 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.266 -13.329 -13.814 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.944 -15.871 -11.130 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.565 -17.030 -10.500 1.00 0.00 C ATOM 1497 C ASP A 96 -3.426 -16.963 -8.982 1.00 0.00 C ATOM 1498 O ASP A 96 -4.313 -17.398 -8.247 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.936 -18.322 -11.026 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.613 -18.824 -12.286 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.985 -17.986 -13.133 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -3.771 -20.055 -12.425 1.00 0.00 O ATOM 0 H ASP A 96 -1.930 -15.935 -11.224 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.626 -17.024 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.879 -18.152 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.993 -19.091 -10.255 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.305 -16.418 -8.519 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.050 -16.294 -7.089 1.00 0.00 C ATOM 1509 C HIS A 97 -3.292 -15.797 -6.355 1.00 0.00 C ATOM 1510 O HIS A 97 -3.759 -14.684 -6.592 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.880 -15.342 -6.839 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.242 -15.517 -5.495 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.894 -16.083 -4.420 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.998 -15.198 -5.055 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.084 -16.103 -3.377 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.071 -15.572 -3.736 1.00 0.00 N ATOM 0 H HIS A 97 -1.560 -16.056 -9.113 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.794 -17.281 -6.704 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.127 -15.494 -7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.231 -14.315 -6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.784 -14.735 -5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.325 -16.488 -2.397 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.885 -15.458 -3.132 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.821 -16.631 -5.465 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.010 -16.276 -4.700 1.00 0.00 C ATOM 1526 C GLU A 98 -4.881 -14.872 -4.115 1.00 0.00 C ATOM 1527 O GLU A 98 -5.823 -14.080 -4.158 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.242 -17.289 -3.576 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.404 -17.025 -2.336 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.672 -18.025 -1.228 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -4.151 -19.157 -1.313 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -5.401 -17.676 -0.277 1.00 0.00 O ATOM 0 H GLU A 98 -3.445 -17.556 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.864 -16.293 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.297 -17.278 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.020 -18.289 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.347 -17.058 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.610 -16.019 -1.970 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.708 -14.571 -3.568 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.454 -13.263 -2.974 1.00 0.00 C ATOM 1541 C VAL A 99 -3.994 -12.145 -3.859 1.00 0.00 C ATOM 1542 O VAL A 99 -4.476 -11.125 -3.364 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.949 -13.036 -2.739 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.279 -12.541 -4.012 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.731 -12.057 -1.596 1.00 0.00 C ATOM 0 H VAL A 99 -2.918 -15.215 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.970 -13.245 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.494 -13.987 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.216 -12.386 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.406 -13.282 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.734 -11.600 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.662 -11.908 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.199 -11.103 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.175 -12.457 -0.685 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.911 -12.342 -5.170 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.392 -11.351 -6.125 1.00 0.00 C ATOM 1557 C VAL A 100 -5.869 -11.047 -5.903 1.00 0.00 C ATOM 1558 O VAL A 100 -6.292 -9.892 -5.965 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.189 -11.824 -7.576 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.745 -10.801 -8.555 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.716 -12.090 -7.849 1.00 0.00 C ATOM 0 H VAL A 100 -3.515 -13.180 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.808 -10.445 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.735 -12.757 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.592 -11.153 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.811 -10.666 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.230 -9.850 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.591 -12.423 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.146 -11.174 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.354 -12.863 -7.171 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.650 -12.090 -5.644 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.081 -11.935 -5.410 1.00 0.00 C ATOM 1573 C ALA A 101 -8.347 -11.242 -4.078 1.00 0.00 C ATOM 1574 O ALA A 101 -9.356 -10.556 -3.915 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.772 -13.289 -5.450 1.00 0.00 C ATOM 0 H ALA A 101 -6.316 -13.052 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.488 -11.308 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.840 -13.158 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.619 -13.747 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.353 -13.934 -4.678 1.00 0.00 H new ATOM 1581 N MET A 102 -7.436 -11.427 -3.128 1.00 0.00 N ATOM 1582 CA MET A 102 -7.574 -10.818 -1.810 1.00 0.00 C ATOM 1583 C MET A 102 -7.270 -9.324 -1.866 1.00 0.00 C ATOM 1584 O MET A 102 -7.928 -8.522 -1.205 1.00 0.00 O ATOM 1585 CB MET A 102 -6.641 -11.503 -0.809 1.00 0.00 C ATOM 1586 CG MET A 102 -7.051 -12.928 -0.473 1.00 0.00 C ATOM 1587 SD MET A 102 -6.565 -13.416 1.193 1.00 0.00 S ATOM 1588 CE MET A 102 -4.844 -12.922 1.203 1.00 0.00 C ATOM 0 H MET A 102 -6.596 -11.993 -3.246 1.00 0.00 H new ATOM 0 HA MET A 102 -8.606 -10.948 -1.483 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.629 -11.511 -1.214 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.612 -10.916 0.109 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.132 -13.025 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.601 -13.611 -1.193 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.232 -13.744 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.533 -12.667 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.718 -12.054 1.851 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.268 -8.958 -2.659 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.878 -7.561 -2.802 1.00 0.00 C ATOM 1600 C ALA A 103 -7.028 -6.724 -3.352 1.00 0.00 C ATOM 1601 O ALA A 103 -7.273 -5.609 -2.890 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.659 -7.443 -3.704 1.00 0.00 C ATOM 0 H ALA A 103 -5.712 -9.610 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.624 -7.177 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.379 -6.394 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.830 -8.001 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.894 -7.849 -4.688 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.731 -7.268 -4.340 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.854 -6.570 -4.954 1.00 0.00 C ATOM 1610 C ARG A 104 -9.857 -6.120 -3.896 1.00 0.00 C ATOM 1611 O ARG A 104 -10.148 -4.930 -3.767 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.546 -7.473 -5.976 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.839 -7.525 -7.321 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.640 -8.317 -8.342 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.936 -7.702 -8.617 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.806 -8.183 -9.498 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.520 -9.281 -10.185 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.965 -7.568 -9.693 1.00 0.00 N ATOM 0 H ARG A 104 -7.543 -8.190 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.467 -5.687 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.612 -8.483 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.567 -7.122 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.680 -6.511 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.855 -7.978 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.071 -8.394 -9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.791 -9.332 -7.976 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.187 -6.857 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.630 -9.758 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.190 -9.649 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.190 -6.724 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.632 -7.939 -10.370 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.384 -7.078 -3.141 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.354 -6.781 -2.094 1.00 0.00 C ATOM 1634 C LYS A 105 -11.008 -5.475 -1.385 1.00 0.00 C ATOM 1635 O LYS A 105 -11.816 -4.547 -1.344 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.407 -7.926 -1.080 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.347 -9.050 -1.479 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.184 -10.261 -0.576 1.00 0.00 C ATOM 1639 CE LYS A 105 -13.344 -11.232 -0.731 1.00 0.00 C ATOM 1640 NZ LYS A 105 -14.464 -10.910 0.196 1.00 0.00 N ATOM 0 H LYS A 105 -10.155 -8.068 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.333 -6.671 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.404 -8.332 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.718 -7.530 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.377 -8.697 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.154 -9.337 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.249 -10.769 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.117 -9.936 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.705 -11.206 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.996 -12.247 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.235 -11.594 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.127 -10.960 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.814 -9.951 -0.002 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.802 -5.411 -0.831 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.348 -4.217 -0.125 1.00 0.00 C ATOM 1656 C LEU A 106 -9.397 -2.995 -1.035 1.00 0.00 C ATOM 1657 O LEU A 106 -9.967 -1.965 -0.677 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.926 -4.421 0.399 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.429 -3.389 1.412 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.153 -3.553 2.740 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.925 -3.511 1.604 1.00 0.00 C ATOM 0 H LEU A 106 -9.122 -6.170 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.018 -4.046 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.867 -5.408 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.244 -4.424 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.646 -2.394 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.786 -2.810 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.224 -3.414 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.968 -4.552 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.589 -2.769 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.685 -4.509 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.422 -3.342 0.652 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.795 -3.117 -2.214 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.771 -2.022 -3.177 1.00 0.00 C ATOM 1675 C GLN A 107 -10.183 -1.523 -3.468 1.00 0.00 C ATOM 1676 O GLN A 107 -10.396 -0.332 -3.696 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.098 -2.470 -4.475 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.129 -1.418 -5.571 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.014 -0.401 -5.436 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.060 0.478 -4.575 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.002 -0.514 -6.289 1.00 0.00 N ATOM 0 H GLN A 107 -8.318 -3.963 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.197 -1.203 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.061 -2.733 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.589 -3.373 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.053 -1.908 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.090 -0.903 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.004 -1.258 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.223 0.143 -6.246 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.143 -2.441 -3.461 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.534 -2.094 -3.724 1.00 0.00 C ATOM 1692 C ASP A 108 -13.094 -1.210 -2.613 1.00 0.00 C ATOM 1693 O ASP A 108 -13.978 -0.386 -2.847 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.381 -3.360 -3.860 1.00 0.00 C ATOM 1695 CG ASP A 108 -13.428 -3.874 -5.286 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.008 -3.181 -6.148 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -12.885 -4.969 -5.540 1.00 0.00 O ATOM 0 H ASP A 108 -10.983 -3.431 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.572 -1.538 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.976 -4.136 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.395 -3.154 -3.517 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.573 -1.389 -1.403 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.020 -0.609 -0.256 1.00 0.00 C ATOM 1704 C VAL A 109 -12.253 0.705 -0.152 1.00 0.00 C ATOM 1705 O VAL A 109 -12.837 1.759 0.101 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.850 -1.394 1.058 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.247 -0.536 2.249 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.666 -2.678 1.020 1.00 0.00 C ATOM 0 H VAL A 109 -11.841 -2.067 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.078 -0.398 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.799 -1.661 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.120 -1.108 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.616 0.352 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.290 -0.236 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.534 -3.221 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.720 -2.435 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.329 -3.299 0.190 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.941 0.635 -0.350 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.092 1.819 -0.278 1.00 0.00 C ATOM 1720 C PHE A 110 -10.533 2.866 -1.297 1.00 0.00 C ATOM 1721 O PHE A 110 -10.599 4.055 -0.990 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.630 1.440 -0.520 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.743 2.619 -0.800 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.119 3.295 0.236 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.533 3.051 -2.100 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.304 4.381 -0.020 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.718 4.137 -2.361 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.102 4.802 -1.320 1.00 0.00 C ATOM 0 H PHE A 110 -10.442 -0.229 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.189 2.245 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.251 0.910 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.577 0.748 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.271 2.970 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -8.011 2.534 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.825 4.901 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.564 4.465 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.464 5.649 -1.521 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.832 2.413 -2.511 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.265 3.311 -3.575 1.00 0.00 C ATOM 1740 C GLU A 111 -12.540 4.050 -3.179 1.00 0.00 C ATOM 1741 O GLU A 111 -12.563 5.278 -3.112 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.497 2.528 -4.869 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.219 2.211 -5.626 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.457 1.987 -7.107 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.939 2.924 -7.778 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.163 0.876 -7.595 1.00 0.00 O ATOM 0 H GLU A 111 -10.782 1.431 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.477 4.046 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.010 1.596 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.160 3.101 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.512 3.030 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.759 1.321 -5.197 1.00 0.00 H new ATOM 1753 N MET A 112 -13.600 3.291 -2.918 1.00 0.00 N ATOM 1754 CA MET A 112 -14.879 3.873 -2.528 1.00 0.00 C ATOM 1755 C MET A 112 -14.709 4.806 -1.332 1.00 0.00 C ATOM 1756 O MET A 112 -15.349 5.855 -1.257 1.00 0.00 O ATOM 1757 CB MET A 112 -15.884 2.770 -2.190 1.00 0.00 C ATOM 1758 CG MET A 112 -15.586 2.056 -0.882 1.00 0.00 C ATOM 1759 SD MET A 112 -16.952 1.016 -0.332 1.00 0.00 S ATOM 1760 CE MET A 112 -17.981 2.222 0.502 1.00 0.00 C ATOM 0 H MET A 112 -13.598 2.272 -2.970 1.00 0.00 H new ATOM 0 HA MET A 112 -15.257 4.454 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.883 3.203 -2.138 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.895 2.039 -2.999 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.693 1.443 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.364 2.795 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.030 1.950 0.382 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.730 2.243 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.810 3.208 0.069 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.845 4.416 -0.401 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.593 5.217 0.791 1.00 0.00 C ATOM 1772 C ARG A 113 -13.082 6.605 0.415 1.00 0.00 C ATOM 1773 O ARG A 113 -13.487 7.608 1.004 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.579 4.516 1.697 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.200 3.474 2.613 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.872 4.117 3.815 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.558 3.135 4.650 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.557 3.437 5.471 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.985 4.689 5.566 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.131 2.487 6.198 1.00 0.00 N ATOM 0 H ARG A 113 -13.308 3.550 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.534 5.329 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.821 4.037 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.069 5.264 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.932 2.889 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.430 2.782 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.124 4.640 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.588 4.865 3.473 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.253 2.163 4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.547 5.422 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.753 4.919 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.805 1.523 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.898 2.721 6.828 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.189 6.655 -0.568 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.621 7.919 -1.021 1.00 0.00 C ATOM 1796 C PHE A 114 -12.685 8.786 -1.688 1.00 0.00 C ATOM 1797 O PHE A 114 -12.613 10.014 -1.651 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.469 7.665 -1.996 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.487 8.799 -2.072 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -9.702 9.862 -2.935 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.350 8.802 -1.281 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -8.799 10.906 -3.008 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.444 9.844 -1.349 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.670 10.898 -2.213 1.00 0.00 C ATOM 0 H PHE A 114 -11.843 5.835 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.239 8.450 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.943 6.759 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.878 7.482 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.585 9.875 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.169 7.981 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -8.976 11.727 -3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.561 9.834 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.965 11.714 -2.267 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.671 8.136 -2.298 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.751 8.846 -2.972 1.00 0.00 C ATOM 1816 C ALA A 115 -15.660 9.545 -1.967 1.00 0.00 C ATOM 1817 O ALA A 115 -15.984 10.723 -2.121 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.556 7.886 -3.835 1.00 0.00 C ATOM 0 H ALA A 115 -13.744 7.119 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.307 9.608 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.359 8.430 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.904 7.436 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.982 7.103 -3.208 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.070 8.812 -0.937 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.942 9.361 0.094 1.00 0.00 C ATOM 1826 C LYS A 116 -16.383 10.672 0.638 1.00 0.00 C ATOM 1827 O LYS A 116 -17.126 11.624 0.876 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.113 8.355 1.235 1.00 0.00 C ATOM 1829 CG LYS A 116 -18.213 7.337 0.988 1.00 0.00 C ATOM 1830 CD LYS A 116 -17.934 6.504 -0.252 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.182 5.776 -0.726 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.970 6.594 -1.689 1.00 0.00 N ATOM 0 H LYS A 116 -15.812 7.836 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.915 9.560 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.171 7.829 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.330 8.896 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.305 6.682 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -19.167 7.851 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.563 7.149 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.149 5.780 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.897 4.835 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.805 5.526 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.812 6.062 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.264 7.481 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.384 6.811 -2.521 1.00 0.00 H new ATOM 1846 N MET A 117 -15.068 10.714 0.832 1.00 0.00 N ATOM 1847 CA MET A 117 -14.410 11.910 1.345 1.00 0.00 C ATOM 1848 C MET A 117 -15.019 13.169 0.737 1.00 0.00 C ATOM 1849 O MET A 117 -15.209 13.256 -0.476 1.00 0.00 O ATOM 1850 CB MET A 117 -12.910 11.860 1.048 1.00 0.00 C ATOM 1851 CG MET A 117 -12.067 12.644 2.040 1.00 0.00 C ATOM 1852 SD MET A 117 -10.354 12.085 2.090 1.00 0.00 S ATOM 1853 CE MET A 117 -9.884 12.278 0.373 1.00 0.00 C ATOM 0 H MET A 117 -14.438 9.934 0.642 1.00 0.00 H new ATOM 0 HA MET A 117 -14.558 11.941 2.424 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.583 10.820 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.733 12.250 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.092 13.701 1.777 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.504 12.553 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.835 12.568 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.030 11.334 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.500 13.049 -0.088 1.00 0.00 H new