USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot 84:sc= 1.19 USER MOD Set 1.2: A 63 SER OG : rot -69:sc= 2.24 USER MOD Set 1.3: A 65 THR OG1 : rot 96:sc= 2.1 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 36 GLN : amide:sc= 1.05 K(o=2.3,f=-9.4!) USER MOD Set 3.1: A 30 THR OG1 : rot 36:sc= 1.04 USER MOD Set 3.2: A 91 SER OG : rot 129:sc= 0.378 USER MOD Set 4.1: A 24 THR OG1 : rot 174:sc= 1.25 USER MOD Set 4.2: A 33 SER OG : rot 64:sc= 2.05 USER MOD Single : A 9 SER OG : rot 39:sc= 0.109 USER MOD Single : A 11 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.8!) USER MOD Single : A 12 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.15) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.09) USER MOD Single : A 20 SER OG : rot -106:sc= 0.963 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.15) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 166:sc= 1.65 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 172:sc= 1.34 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.834 (180deg=-0.662!) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 2.33 (180deg=2.08) USER MOD Single : A 47 ASN : amide:sc= 1.17 K(o=1.2,f=-0.091) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.148 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 1.08 (180deg=-0.557!) USER MOD Single : A 54 SER OG : rot 60:sc= 1.04 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -172:sc= 0.99 USER MOD Single : A 61 MET CE :methyl 172:sc= -0.034 (180deg=-0.157) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.78 (180deg=1.34) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -143:sc= 0.861 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 127:sc= -0.648 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 8.932 7.145 -25.723 1.00 0.00 N ATOM 109 CA SER A 9 7.857 6.732 -26.618 1.00 0.00 C ATOM 110 C SER A 9 6.642 6.203 -25.851 1.00 0.00 C ATOM 111 O SER A 9 5.505 6.514 -26.210 1.00 0.00 O ATOM 112 CB SER A 9 8.401 5.644 -27.559 1.00 0.00 C ATOM 113 OG SER A 9 9.555 6.070 -28.269 1.00 0.00 O ATOM 0 HA SER A 9 7.522 7.600 -27.185 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.643 4.753 -26.979 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.625 5.361 -28.270 1.00 0.00 H new ATOM 0 HG SER A 9 10.123 6.606 -27.678 1.00 0.00 H new ATOM 119 N ILE A 10 6.888 5.448 -24.770 1.00 0.00 N ATOM 120 CA ILE A 10 5.879 4.918 -23.851 1.00 0.00 C ATOM 121 C ILE A 10 4.985 6.037 -23.329 1.00 0.00 C ATOM 122 O ILE A 10 3.770 5.876 -23.348 1.00 0.00 O ATOM 123 CB ILE A 10 6.538 4.085 -22.718 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.522 3.236 -21.914 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.455 4.899 -21.783 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.820 3.932 -20.736 1.00 0.00 C ATOM 0 H ILE A 10 7.836 5.181 -24.504 1.00 0.00 H new ATOM 0 HA ILE A 10 5.232 4.231 -24.396 1.00 0.00 H new ATOM 0 HB ILE A 10 7.190 3.392 -23.250 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.757 2.878 -22.603 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.041 2.358 -21.530 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.874 4.241 -21.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.264 5.344 -22.363 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.877 5.688 -21.303 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.135 3.233 -20.256 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.565 4.264 -20.013 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.261 4.793 -21.103 1.00 0.00 H new ATOM 138 N ASN A 11 5.552 7.178 -22.925 1.00 0.00 N ATOM 139 CA ASN A 11 4.810 8.267 -22.298 1.00 0.00 C ATOM 140 C ASN A 11 3.757 8.836 -23.263 1.00 0.00 C ATOM 141 O ASN A 11 2.563 8.844 -22.962 1.00 0.00 O ATOM 142 CB ASN A 11 5.813 9.325 -21.799 1.00 0.00 C ATOM 143 CG ASN A 11 5.399 9.890 -20.456 1.00 0.00 C ATOM 144 OD1 ASN A 11 5.525 9.230 -19.440 1.00 0.00 O ATOM 145 ND2 ASN A 11 4.901 11.105 -20.391 1.00 0.00 N ATOM 0 H ASN A 11 6.549 7.370 -23.027 1.00 0.00 H new ATOM 0 HA ASN A 11 4.252 7.902 -21.436 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.804 8.879 -21.718 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.886 10.132 -22.528 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.621 11.494 -19.491 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.795 11.659 -21.241 1.00 0.00 H new ATOM 152 N GLN A 12 4.198 9.253 -24.456 1.00 0.00 N ATOM 153 CA GLN A 12 3.314 9.764 -25.503 1.00 0.00 C ATOM 154 C GLN A 12 2.310 8.703 -25.975 1.00 0.00 C ATOM 155 O GLN A 12 1.121 9.013 -26.116 1.00 0.00 O ATOM 156 CB GLN A 12 4.160 10.309 -26.668 1.00 0.00 C ATOM 157 CG GLN A 12 3.341 10.818 -27.870 1.00 0.00 C ATOM 158 CD GLN A 12 2.378 11.955 -27.525 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.665 13.122 -27.731 1.00 0.00 O ATOM 160 NE2 GLN A 12 1.203 11.659 -27.003 1.00 0.00 N ATOM 0 H GLN A 12 5.183 9.244 -24.720 1.00 0.00 H new ATOM 0 HA GLN A 12 2.720 10.579 -25.089 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.783 11.123 -26.298 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.833 9.523 -27.010 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.026 11.158 -28.647 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.772 9.987 -28.288 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.954 10.686 -26.827 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.544 12.403 -26.775 1.00 0.00 H new ATOM 169 N LYS A 13 2.763 7.469 -26.243 1.00 0.00 N ATOM 170 CA LYS A 13 1.895 6.408 -26.763 1.00 0.00 C ATOM 171 C LYS A 13 0.863 5.938 -25.732 1.00 0.00 C ATOM 172 O LYS A 13 -0.285 5.684 -26.094 1.00 0.00 O ATOM 173 CB LYS A 13 2.760 5.259 -27.301 1.00 0.00 C ATOM 174 CG LYS A 13 1.906 4.295 -28.132 1.00 0.00 C ATOM 175 CD LYS A 13 2.760 3.270 -28.882 1.00 0.00 C ATOM 176 CE LYS A 13 1.804 2.488 -29.778 1.00 0.00 C ATOM 177 NZ LYS A 13 2.477 1.462 -30.593 1.00 0.00 N ATOM 0 H LYS A 13 3.732 7.183 -26.106 1.00 0.00 H new ATOM 0 HA LYS A 13 1.308 6.812 -27.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.569 5.659 -27.913 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.222 4.724 -26.472 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.207 3.774 -27.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.311 4.863 -28.847 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.530 3.765 -29.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.271 2.605 -28.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.045 2.010 -29.158 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.285 3.183 -30.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.768 0.933 -31.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.146 1.920 -31.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.993 0.807 -29.971 1.00 0.00 H new ATOM 191 N LEU A 14 1.234 5.869 -24.450 1.00 0.00 N ATOM 192 CA LEU A 14 0.309 5.558 -23.366 1.00 0.00 C ATOM 193 C LEU A 14 -0.722 6.675 -23.179 1.00 0.00 C ATOM 194 O LEU A 14 -1.887 6.364 -22.954 1.00 0.00 O ATOM 195 CB LEU A 14 1.091 5.235 -22.087 1.00 0.00 C ATOM 196 CG LEU A 14 0.206 4.605 -20.993 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.989 3.520 -20.259 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.242 5.637 -19.962 1.00 0.00 C ATOM 0 H LEU A 14 2.192 6.029 -24.137 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.264 4.668 -23.625 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.906 4.553 -22.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.543 6.149 -21.702 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.673 4.191 -21.488 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.360 3.077 -19.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.292 2.748 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.874 3.959 -19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.863 5.153 -19.209 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.633 6.076 -19.483 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.816 6.420 -20.457 1.00 0.00 H new ATOM 210 N ALA A 15 -0.353 7.953 -23.347 1.00 0.00 N ATOM 211 CA ALA A 15 -1.341 9.037 -23.405 1.00 0.00 C ATOM 212 C ALA A 15 -2.304 8.883 -24.595 1.00 0.00 C ATOM 213 O ALA A 15 -3.515 9.029 -24.427 1.00 0.00 O ATOM 214 CB ALA A 15 -0.644 10.395 -23.458 1.00 0.00 C ATOM 0 H ALA A 15 0.615 8.259 -23.444 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.937 8.977 -22.495 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.392 11.187 -23.501 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.030 10.524 -22.567 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.012 10.445 -24.345 1.00 0.00 H new ATOM 220 N LEU A 16 -1.775 8.552 -25.784 1.00 0.00 N ATOM 221 CA LEU A 16 -2.565 8.263 -26.986 1.00 0.00 C ATOM 222 C LEU A 16 -3.585 7.146 -26.703 1.00 0.00 C ATOM 223 O LEU A 16 -4.760 7.314 -27.002 1.00 0.00 O ATOM 224 CB LEU A 16 -1.618 7.924 -28.157 1.00 0.00 C ATOM 225 CG LEU A 16 -2.180 8.184 -29.571 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.106 7.807 -30.597 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.456 7.401 -29.896 1.00 0.00 C ATOM 0 H LEU A 16 -0.769 8.477 -25.937 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.140 9.143 -27.274 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.702 8.503 -28.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.342 6.872 -28.084 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.445 9.241 -29.610 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.486 7.984 -31.603 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.216 8.415 -30.433 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.851 6.753 -30.486 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.783 7.642 -30.907 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.255 6.332 -29.825 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.239 7.671 -29.187 1.00 0.00 H new ATOM 239 N VAL A 17 -3.156 6.051 -26.063 1.00 0.00 N ATOM 240 CA VAL A 17 -4.041 5.016 -25.506 1.00 0.00 C ATOM 241 C VAL A 17 -5.070 5.610 -24.532 1.00 0.00 C ATOM 242 O VAL A 17 -6.269 5.510 -24.780 1.00 0.00 O ATOM 243 CB VAL A 17 -3.204 3.878 -24.885 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.998 2.993 -23.918 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.609 3.022 -26.010 1.00 0.00 C ATOM 0 H VAL A 17 -2.166 5.854 -25.914 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.625 4.581 -26.317 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.416 4.344 -24.293 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.347 2.215 -23.519 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.380 3.601 -23.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.832 2.533 -24.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.016 2.216 -25.579 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.415 2.599 -26.610 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.973 3.642 -26.642 1.00 0.00 H new ATOM 255 N ILE A 18 -4.622 6.237 -23.438 1.00 0.00 N ATOM 256 CA ILE A 18 -5.459 6.802 -22.369 1.00 0.00 C ATOM 257 C ILE A 18 -6.516 7.807 -22.870 1.00 0.00 C ATOM 258 O ILE A 18 -7.567 7.928 -22.240 1.00 0.00 O ATOM 259 CB ILE A 18 -4.541 7.323 -21.233 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.044 6.100 -20.415 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.270 8.331 -20.342 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.451 6.406 -19.036 1.00 0.00 C ATOM 0 H ILE A 18 -3.626 6.371 -23.265 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.082 6.012 -21.951 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.689 7.852 -21.661 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.880 5.413 -20.284 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.290 5.577 -21.004 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.597 8.676 -19.557 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.592 9.182 -20.943 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.141 7.855 -19.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.139 5.477 -18.560 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.589 7.063 -19.148 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.203 6.896 -18.417 1.00 0.00 H new ATOM 274 N LYS A 19 -6.307 8.453 -24.028 1.00 0.00 N ATOM 275 CA LYS A 19 -7.295 9.302 -24.713 1.00 0.00 C ATOM 276 C LYS A 19 -8.671 8.635 -24.886 1.00 0.00 C ATOM 277 O LYS A 19 -9.676 9.336 -24.796 1.00 0.00 O ATOM 278 CB LYS A 19 -6.709 9.743 -26.062 1.00 0.00 C ATOM 279 CG LYS A 19 -7.584 10.753 -26.820 1.00 0.00 C ATOM 280 CD LYS A 19 -6.882 11.310 -28.070 1.00 0.00 C ATOM 281 CE LYS A 19 -6.365 10.236 -29.039 1.00 0.00 C ATOM 282 NZ LYS A 19 -7.446 9.366 -29.553 1.00 0.00 N ATOM 0 H LYS A 19 -5.420 8.397 -24.528 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.486 10.170 -24.082 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.726 10.183 -25.894 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.561 8.863 -26.688 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.518 10.273 -27.114 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.844 11.576 -26.155 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.577 11.959 -28.603 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.044 11.931 -27.755 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.863 10.719 -29.877 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.620 9.623 -28.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.038 8.628 -30.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.943 8.921 -28.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.118 9.937 -30.104 1.00 0.00 H new ATOM 296 N SER A 20 -8.737 7.312 -25.106 1.00 0.00 N ATOM 297 CA SER A 20 -10.020 6.582 -25.114 1.00 0.00 C ATOM 298 C SER A 20 -9.980 5.113 -24.652 1.00 0.00 C ATOM 299 O SER A 20 -11.042 4.509 -24.470 1.00 0.00 O ATOM 300 CB SER A 20 -10.700 6.698 -26.484 1.00 0.00 C ATOM 301 OG SER A 20 -10.010 5.968 -27.470 1.00 0.00 O ATOM 0 H SER A 20 -7.921 6.725 -25.280 1.00 0.00 H new ATOM 0 HA SER A 20 -10.610 7.083 -24.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.725 6.335 -26.413 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.752 7.747 -26.777 1.00 0.00 H new ATOM 0 HG SER A 20 -9.531 6.587 -28.060 1.00 0.00 H new ATOM 307 N GLY A 21 -8.805 4.541 -24.369 1.00 0.00 N ATOM 308 CA GLY A 21 -8.639 3.178 -23.858 1.00 0.00 C ATOM 309 C GLY A 21 -8.935 3.058 -22.356 1.00 0.00 C ATOM 310 O GLY A 21 -9.286 4.027 -21.681 1.00 0.00 O ATOM 0 H GLY A 21 -7.918 5.029 -24.493 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.300 2.507 -24.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.618 2.847 -24.049 1.00 0.00 H new ATOM 314 N LYS A 22 -8.842 1.832 -21.829 1.00 0.00 N ATOM 315 CA LYS A 22 -9.209 1.461 -20.455 1.00 0.00 C ATOM 316 C LYS A 22 -7.955 1.219 -19.614 1.00 0.00 C ATOM 317 O LYS A 22 -7.250 0.223 -19.805 1.00 0.00 O ATOM 318 CB LYS A 22 -10.109 0.214 -20.451 1.00 0.00 C ATOM 319 CG LYS A 22 -11.620 0.439 -20.653 1.00 0.00 C ATOM 320 CD LYS A 22 -12.061 1.290 -21.858 1.00 0.00 C ATOM 321 CE LYS A 22 -12.240 2.759 -21.451 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.724 3.600 -22.571 1.00 0.00 N ATOM 0 H LYS A 22 -8.495 1.039 -22.368 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.767 2.287 -20.014 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.759 -0.458 -21.234 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.968 -0.302 -19.501 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.096 -0.538 -20.740 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.013 0.906 -19.750 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.318 1.216 -22.653 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.997 0.902 -22.260 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.946 2.820 -20.623 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.290 3.152 -21.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.910 4.564 -22.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.001 3.633 -23.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.601 3.195 -22.956 1.00 0.00 H new ATOM 336 N TYR A 23 -7.706 2.139 -18.680 1.00 0.00 N ATOM 337 CA TYR A 23 -6.589 2.130 -17.740 1.00 0.00 C ATOM 338 C TYR A 23 -7.043 2.196 -16.267 1.00 0.00 C ATOM 339 O TYR A 23 -8.200 2.490 -15.973 1.00 0.00 O ATOM 340 CB TYR A 23 -5.695 3.324 -18.096 1.00 0.00 C ATOM 341 CG TYR A 23 -6.381 4.672 -17.947 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.226 5.158 -18.966 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.178 5.434 -16.782 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.873 6.396 -18.821 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.813 6.683 -16.639 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.653 7.174 -17.663 1.00 0.00 C ATOM 347 OH TYR A 23 -8.220 8.409 -17.555 1.00 0.00 O ATOM 0 H TYR A 23 -8.310 2.951 -18.554 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.047 1.189 -17.830 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.810 3.305 -17.460 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.351 3.214 -19.124 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.376 4.575 -19.863 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.536 5.061 -15.998 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.538 6.753 -19.594 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.657 7.267 -15.744 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.969 8.810 -16.697 1.00 0.00 H new ATOM 357 N THR A 24 -6.107 1.951 -15.342 1.00 0.00 N ATOM 358 CA THR A 24 -6.287 2.010 -13.882 1.00 0.00 C ATOM 359 C THR A 24 -5.037 2.598 -13.202 1.00 0.00 C ATOM 360 O THR A 24 -3.936 2.491 -13.749 1.00 0.00 O ATOM 361 CB THR A 24 -6.646 0.606 -13.363 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.019 0.632 -12.010 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.516 -0.411 -13.522 1.00 0.00 C ATOM 0 H THR A 24 -5.155 1.693 -15.602 1.00 0.00 H new ATOM 0 HA THR A 24 -7.110 2.680 -13.632 1.00 0.00 H new ATOM 0 HB THR A 24 -7.485 0.291 -13.983 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.326 -0.258 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.839 -1.378 -13.135 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.261 -0.509 -14.577 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.641 -0.072 -12.967 1.00 0.00 H new ATOM 371 N LEU A 25 -5.201 3.241 -12.033 1.00 0.00 N ATOM 372 CA LEU A 25 -4.216 4.157 -11.430 1.00 0.00 C ATOM 373 C LEU A 25 -4.041 3.952 -9.915 1.00 0.00 C ATOM 374 O LEU A 25 -4.980 4.171 -9.144 1.00 0.00 O ATOM 375 CB LEU A 25 -4.644 5.621 -11.667 1.00 0.00 C ATOM 376 CG LEU A 25 -4.712 6.090 -13.129 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.241 7.523 -13.168 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.345 6.088 -13.809 1.00 0.00 C ATOM 0 H LEU A 25 -6.043 3.136 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.264 3.935 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.626 5.766 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.950 6.270 -11.133 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.365 5.395 -13.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.292 7.864 -14.202 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.236 7.556 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.572 8.173 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.451 6.428 -14.839 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.671 6.757 -13.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.936 5.078 -13.800 1.00 0.00 H new ATOM 390 N GLY A 26 -2.826 3.600 -9.483 1.00 0.00 N ATOM 391 CA GLY A 26 -2.445 3.480 -8.071 1.00 0.00 C ATOM 392 C GLY A 26 -2.683 2.084 -7.486 1.00 0.00 C ATOM 393 O GLY A 26 -3.447 1.291 -8.032 1.00 0.00 O ATOM 0 H GLY A 26 -2.060 3.385 -10.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.390 3.734 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.008 4.209 -7.489 1.00 0.00 H new ATOM 397 N TYR A 27 -2.015 1.779 -6.362 1.00 0.00 N ATOM 398 CA TYR A 27 -1.825 0.413 -5.852 1.00 0.00 C ATOM 399 C TYR A 27 -3.139 -0.365 -5.660 1.00 0.00 C ATOM 400 O TYR A 27 -3.363 -1.367 -6.336 1.00 0.00 O ATOM 401 CB TYR A 27 -0.970 0.443 -4.573 1.00 0.00 C ATOM 402 CG TYR A 27 -0.249 -0.863 -4.298 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.031 -1.074 -4.850 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.843 -1.875 -3.511 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.704 -2.274 -4.621 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.153 -3.081 -3.261 1.00 0.00 C ATOM 407 CZ TYR A 27 1.130 -3.272 -3.818 1.00 0.00 C ATOM 408 OH TYR A 27 1.875 -4.380 -3.577 1.00 0.00 O ATOM 0 H TYR A 27 -1.584 2.490 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.287 -0.145 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.236 1.244 -4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.609 0.682 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.492 -0.304 -5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.830 -1.725 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.675 -2.437 -5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.602 -3.850 -2.650 1.00 0.00 H new ATOM 0 HH TYR A 27 1.477 -4.888 -2.840 1.00 0.00 H new ATOM 418 N LYS A 28 -4.034 0.104 -4.776 1.00 0.00 N ATOM 419 CA LYS A 28 -5.340 -0.526 -4.515 1.00 0.00 C ATOM 420 C LYS A 28 -6.155 -0.711 -5.803 1.00 0.00 C ATOM 421 O LYS A 28 -6.679 -1.797 -6.050 1.00 0.00 O ATOM 422 CB LYS A 28 -6.098 0.297 -3.459 1.00 0.00 C ATOM 423 CG LYS A 28 -7.420 -0.371 -3.036 1.00 0.00 C ATOM 424 CD LYS A 28 -8.123 0.366 -1.886 1.00 0.00 C ATOM 425 CE LYS A 28 -8.636 1.749 -2.313 1.00 0.00 C ATOM 426 NZ LYS A 28 -9.364 2.425 -1.212 1.00 0.00 N ATOM 0 H LYS A 28 -3.870 0.940 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.177 -1.530 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.464 0.431 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.306 1.290 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.090 -0.415 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.221 -1.399 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.959 -0.235 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.431 0.479 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.796 2.368 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.295 1.643 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.696 3.356 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.180 1.846 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.727 2.548 -0.399 1.00 0.00 H new ATOM 440 N SER A 29 -6.216 0.337 -6.630 1.00 0.00 N ATOM 441 CA SER A 29 -6.894 0.376 -7.925 1.00 0.00 C ATOM 442 C SER A 29 -6.412 -0.732 -8.849 1.00 0.00 C ATOM 443 O SER A 29 -7.221 -1.508 -9.366 1.00 0.00 O ATOM 444 CB SER A 29 -6.591 1.699 -8.634 1.00 0.00 C ATOM 445 OG SER A 29 -6.598 2.802 -7.753 1.00 0.00 O ATOM 0 H SER A 29 -5.770 1.225 -6.401 1.00 0.00 H new ATOM 0 HA SER A 29 -7.959 0.258 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.617 1.632 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.328 1.862 -9.420 1.00 0.00 H new ATOM 0 HG SER A 29 -6.269 3.597 -8.222 1.00 0.00 H new ATOM 451 N THR A 30 -5.095 -0.799 -9.078 1.00 0.00 N ATOM 452 CA THR A 30 -4.514 -1.827 -9.927 1.00 0.00 C ATOM 453 C THR A 30 -4.705 -3.197 -9.286 1.00 0.00 C ATOM 454 O THR A 30 -5.227 -4.046 -9.981 1.00 0.00 O ATOM 455 CB THR A 30 -3.089 -1.497 -10.381 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.688 -2.370 -11.414 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.063 -1.553 -9.266 1.00 0.00 C ATOM 0 H THR A 30 -4.416 -0.148 -8.683 1.00 0.00 H new ATOM 0 HA THR A 30 -5.056 -1.859 -10.872 1.00 0.00 H new ATOM 0 HB THR A 30 -3.125 -0.467 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.456 -2.571 -11.989 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.079 -1.308 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.329 -0.835 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.042 -2.556 -8.841 1.00 0.00 H new ATOM 465 N VAL A 31 -4.439 -3.440 -7.993 1.00 0.00 N ATOM 466 CA VAL A 31 -4.708 -4.762 -7.378 1.00 0.00 C ATOM 467 C VAL A 31 -6.158 -5.216 -7.632 1.00 0.00 C ATOM 468 O VAL A 31 -6.375 -6.299 -8.187 1.00 0.00 O ATOM 469 CB VAL A 31 -4.332 -4.783 -5.881 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.709 -6.122 -5.228 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.818 -4.589 -5.708 1.00 0.00 C ATOM 0 H VAL A 31 -4.042 -2.751 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.062 -5.492 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.882 -3.973 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.431 -6.104 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.784 -6.280 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.180 -6.933 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.568 -4.606 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.287 -5.393 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.523 -3.631 -6.135 1.00 0.00 H new ATOM 481 N LYS A 32 -7.142 -4.353 -7.335 1.00 0.00 N ATOM 482 CA LYS A 32 -8.561 -4.540 -7.687 1.00 0.00 C ATOM 483 C LYS A 32 -8.752 -4.894 -9.169 1.00 0.00 C ATOM 484 O LYS A 32 -9.469 -5.837 -9.496 1.00 0.00 O ATOM 485 CB LYS A 32 -9.330 -3.269 -7.265 1.00 0.00 C ATOM 486 CG LYS A 32 -10.811 -3.217 -7.688 1.00 0.00 C ATOM 487 CD LYS A 32 -11.026 -2.406 -8.981 1.00 0.00 C ATOM 488 CE LYS A 32 -12.508 -2.241 -9.338 1.00 0.00 C ATOM 489 NZ LYS A 32 -13.102 -3.490 -9.866 1.00 0.00 N ATOM 0 H LYS A 32 -6.970 -3.483 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.966 -5.396 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.277 -3.177 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.820 -2.401 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.180 -4.232 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.400 -2.776 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.572 -1.421 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.511 -2.900 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.060 -1.925 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.615 -1.449 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.026 -3.281 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.471 -3.898 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.227 -4.170 -9.089 1.00 0.00 H new ATOM 503 N SER A 33 -8.117 -4.141 -10.065 1.00 0.00 N ATOM 504 CA SER A 33 -8.248 -4.264 -11.523 1.00 0.00 C ATOM 505 C SER A 33 -7.583 -5.530 -12.081 1.00 0.00 C ATOM 506 O SER A 33 -8.194 -6.238 -12.870 1.00 0.00 O ATOM 507 CB SER A 33 -7.640 -3.038 -12.207 1.00 0.00 C ATOM 508 OG SER A 33 -8.138 -1.818 -11.675 1.00 0.00 O ATOM 0 H SER A 33 -7.472 -3.400 -9.790 1.00 0.00 H new ATOM 0 HA SER A 33 -9.315 -4.334 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.556 -3.064 -12.096 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.852 -3.079 -13.275 1.00 0.00 H new ATOM 0 HG SER A 33 -7.878 -1.742 -10.733 1.00 0.00 H new ATOM 514 N LEU A 34 -6.351 -5.841 -11.657 1.00 0.00 N ATOM 515 CA LEU A 34 -5.576 -7.031 -12.020 1.00 0.00 C ATOM 516 C LEU A 34 -6.211 -8.321 -11.478 1.00 0.00 C ATOM 517 O LEU A 34 -5.839 -9.419 -11.901 1.00 0.00 O ATOM 518 CB LEU A 34 -4.136 -6.908 -11.473 1.00 0.00 C ATOM 519 CG LEU A 34 -3.319 -5.671 -11.899 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.957 -5.655 -11.204 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.136 -5.534 -13.394 1.00 0.00 C ATOM 0 H LEU A 34 -5.841 -5.234 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.564 -7.090 -13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.187 -6.920 -10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.583 -7.797 -11.776 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.910 -4.811 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.398 -4.774 -11.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.100 -5.627 -10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.401 -6.553 -11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.551 -4.640 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.613 -6.410 -13.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.111 -5.454 -13.874 1.00 0.00 H new ATOM 533 N ARG A 35 -7.116 -8.214 -10.494 1.00 0.00 N ATOM 534 CA ARG A 35 -8.047 -9.273 -10.069 1.00 0.00 C ATOM 535 C ARG A 35 -9.339 -9.300 -10.890 1.00 0.00 C ATOM 536 O ARG A 35 -9.710 -10.366 -11.370 1.00 0.00 O ATOM 537 CB ARG A 35 -8.325 -9.159 -8.557 1.00 0.00 C ATOM 538 CG ARG A 35 -7.338 -9.897 -7.627 1.00 0.00 C ATOM 539 CD ARG A 35 -5.824 -9.677 -7.815 1.00 0.00 C ATOM 540 NE ARG A 35 -5.323 -10.245 -9.082 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.232 -11.513 -9.449 1.00 0.00 C ATOM 542 NH1 ARG A 35 -5.302 -12.498 -8.587 1.00 0.00 N ATOM 543 NH2 ARG A 35 -5.104 -11.790 -10.723 1.00 0.00 N ATOM 0 H ARG A 35 -7.225 -7.357 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.563 -10.230 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.326 -8.103 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.328 -9.539 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.585 -9.623 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.530 -10.965 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.610 -8.609 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.288 -10.130 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.002 -9.565 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.431 -12.299 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.228 -13.463 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.076 -11.035 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.032 -12.760 -11.029 1.00 0.00 H new ATOM 557 N GLN A 36 -10.038 -8.168 -11.026 1.00 0.00 N ATOM 558 CA GLN A 36 -11.422 -8.128 -11.520 1.00 0.00 C ATOM 559 C GLN A 36 -11.595 -7.733 -13.002 1.00 0.00 C ATOM 560 O GLN A 36 -12.731 -7.689 -13.469 1.00 0.00 O ATOM 561 CB GLN A 36 -12.267 -7.228 -10.598 1.00 0.00 C ATOM 562 CG GLN A 36 -12.304 -7.735 -9.145 1.00 0.00 C ATOM 563 CD GLN A 36 -13.259 -6.921 -8.276 1.00 0.00 C ATOM 564 OE1 GLN A 36 -13.306 -5.699 -8.339 1.00 0.00 O ATOM 565 NE2 GLN A 36 -14.054 -7.557 -7.438 1.00 0.00 N ATOM 0 H GLN A 36 -9.660 -7.249 -10.796 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.778 -9.158 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.863 -6.216 -10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.284 -7.172 -10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.608 -8.782 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.301 -7.690 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.023 -8.575 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.700 -7.031 -6.850 1.00 0.00 H new ATOM 574 N GLY A 37 -10.524 -7.453 -13.756 1.00 0.00 N ATOM 575 CA GLY A 37 -10.591 -7.085 -15.175 1.00 0.00 C ATOM 576 C GLY A 37 -9.429 -7.620 -16.021 1.00 0.00 C ATOM 577 O GLY A 37 -8.399 -8.060 -15.511 1.00 0.00 O ATOM 0 H GLY A 37 -9.572 -7.476 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.528 -7.455 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.614 -5.998 -15.256 1.00 0.00 H new ATOM 581 N LYS A 38 -9.597 -7.561 -17.351 1.00 0.00 N ATOM 582 CA LYS A 38 -8.654 -8.088 -18.350 1.00 0.00 C ATOM 583 C LYS A 38 -7.455 -7.145 -18.541 1.00 0.00 C ATOM 584 O LYS A 38 -7.306 -6.496 -19.578 1.00 0.00 O ATOM 585 CB LYS A 38 -9.429 -8.408 -19.647 1.00 0.00 C ATOM 586 CG LYS A 38 -8.798 -9.495 -20.542 1.00 0.00 C ATOM 587 CD LYS A 38 -7.496 -9.176 -21.300 1.00 0.00 C ATOM 588 CE LYS A 38 -7.667 -8.283 -22.540 1.00 0.00 C ATOM 589 NZ LYS A 38 -7.944 -6.874 -22.205 1.00 0.00 N ATOM 0 H LYS A 38 -10.419 -7.131 -17.775 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.211 -9.021 -18.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.438 -8.722 -19.380 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.524 -7.491 -20.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.609 -10.367 -19.916 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.545 -9.788 -21.280 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.804 -8.689 -20.613 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.033 -10.114 -21.607 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.762 -8.335 -23.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.482 -8.672 -23.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.686 -6.269 -23.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.956 -6.759 -21.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.385 -6.599 -21.372 1.00 0.00 H new ATOM 603 N SER A 39 -6.579 -7.070 -17.541 1.00 0.00 N ATOM 604 CA SER A 39 -5.293 -6.376 -17.663 1.00 0.00 C ATOM 605 C SER A 39 -4.372 -7.042 -18.689 1.00 0.00 C ATOM 606 O SER A 39 -4.422 -8.259 -18.883 1.00 0.00 O ATOM 607 CB SER A 39 -4.609 -6.309 -16.303 1.00 0.00 C ATOM 608 OG SER A 39 -4.269 -7.592 -15.823 1.00 0.00 O ATOM 0 H SER A 39 -6.738 -7.487 -16.624 1.00 0.00 H new ATOM 0 HA SER A 39 -5.496 -5.366 -18.020 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.709 -5.699 -16.379 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.269 -5.817 -15.588 1.00 0.00 H new ATOM 0 HG SER A 39 -3.410 -7.868 -16.206 1.00 0.00 H new ATOM 614 N LYS A 40 -3.502 -6.245 -19.324 1.00 0.00 N ATOM 615 CA LYS A 40 -2.527 -6.753 -20.298 1.00 0.00 C ATOM 616 C LYS A 40 -1.128 -6.129 -20.180 1.00 0.00 C ATOM 617 O LYS A 40 -0.153 -6.789 -20.562 1.00 0.00 O ATOM 618 CB LYS A 40 -3.150 -6.576 -21.693 1.00 0.00 C ATOM 619 CG LYS A 40 -2.398 -7.286 -22.829 1.00 0.00 C ATOM 620 CD LYS A 40 -2.420 -8.821 -22.773 1.00 0.00 C ATOM 621 CE LYS A 40 -1.041 -9.381 -23.141 1.00 0.00 C ATOM 622 NZ LYS A 40 -0.082 -9.195 -22.029 1.00 0.00 N ATOM 0 H LYS A 40 -3.454 -5.237 -19.178 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.335 -7.807 -20.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.175 -6.946 -21.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.201 -5.511 -21.920 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.825 -6.968 -23.780 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.360 -6.953 -22.819 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.701 -9.152 -21.773 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.173 -9.207 -23.460 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.126 -10.441 -23.380 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.668 -8.882 -24.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.887 -9.341 -22.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.172 -8.230 -21.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.286 -9.883 -21.276 1.00 0.00 H new ATOM 636 N LEU A 41 -1.011 -4.933 -19.589 1.00 0.00 N ATOM 637 CA LEU A 41 0.259 -4.245 -19.311 1.00 0.00 C ATOM 638 C LEU A 41 0.163 -3.464 -17.979 1.00 0.00 C ATOM 639 O LEU A 41 -0.787 -2.705 -17.806 1.00 0.00 O ATOM 640 CB LEU A 41 0.530 -3.373 -20.559 1.00 0.00 C ATOM 641 CG LEU A 41 1.641 -2.308 -20.553 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.226 -1.040 -19.815 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.989 -2.812 -20.043 1.00 0.00 C ATOM 0 H LEU A 41 -1.824 -4.399 -19.281 1.00 0.00 H new ATOM 0 HA LEU A 41 1.101 -4.920 -19.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.743 -4.053 -21.384 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.402 -2.862 -20.800 1.00 0.00 H new ATOM 0 HG LEU A 41 1.785 -2.062 -21.605 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.044 -0.320 -19.839 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.349 -0.609 -20.298 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.987 -1.283 -18.780 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.716 -2.000 -20.071 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.881 -3.166 -19.018 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.334 -3.630 -20.675 1.00 0.00 H new ATOM 655 N ILE A 42 1.130 -3.619 -17.055 1.00 0.00 N ATOM 656 CA ILE A 42 1.342 -2.736 -15.896 1.00 0.00 C ATOM 657 C ILE A 42 2.626 -1.908 -16.063 1.00 0.00 C ATOM 658 O ILE A 42 3.718 -2.450 -16.251 1.00 0.00 O ATOM 659 CB ILE A 42 1.287 -3.458 -14.519 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.492 -4.339 -14.124 1.00 0.00 C ATOM 661 CG2 ILE A 42 0.017 -4.302 -14.337 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.421 -4.801 -12.664 1.00 0.00 C ATOM 0 H ILE A 42 1.803 -4.384 -17.097 1.00 0.00 H new ATOM 0 HA ILE A 42 0.491 -2.055 -15.882 1.00 0.00 H new ATOM 0 HB ILE A 42 1.302 -2.598 -13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.531 -5.211 -14.777 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.415 -3.781 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.036 -4.781 -13.358 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.860 -3.659 -14.410 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.027 -5.065 -15.114 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.290 -5.417 -12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.409 -3.931 -12.007 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.513 -5.384 -12.510 1.00 0.00 H new ATOM 674 N ILE A 43 2.501 -0.580 -15.979 1.00 0.00 N ATOM 675 CA ILE A 43 3.612 0.347 -15.751 1.00 0.00 C ATOM 676 C ILE A 43 3.768 0.531 -14.246 1.00 0.00 C ATOM 677 O ILE A 43 2.823 0.985 -13.605 1.00 0.00 O ATOM 678 CB ILE A 43 3.315 1.734 -16.357 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.899 1.713 -17.841 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.507 2.679 -16.151 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.885 1.002 -18.773 1.00 0.00 C ATOM 0 H ILE A 43 1.601 -0.109 -16.070 1.00 0.00 H new ATOM 0 HA ILE A 43 4.509 -0.062 -16.215 1.00 0.00 H new ATOM 0 HB ILE A 43 2.445 2.104 -15.815 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.927 1.227 -17.925 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.773 2.740 -18.183 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.279 3.652 -16.585 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.700 2.794 -15.084 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.389 2.263 -16.637 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.509 1.037 -19.796 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.854 1.499 -18.725 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.994 -0.037 -18.462 1.00 0.00 H new ATOM 693 N ILE A 44 4.948 0.266 -13.684 1.00 0.00 N ATOM 694 CA ILE A 44 5.271 0.675 -12.311 1.00 0.00 C ATOM 695 C ILE A 44 6.316 1.791 -12.405 1.00 0.00 C ATOM 696 O ILE A 44 7.460 1.552 -12.791 1.00 0.00 O ATOM 697 CB ILE A 44 5.680 -0.514 -11.409 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.575 -1.604 -11.346 1.00 0.00 C ATOM 699 CG2 ILE A 44 5.968 0.015 -9.986 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.101 -2.977 -10.919 1.00 0.00 C ATOM 0 H ILE A 44 5.701 -0.232 -14.159 1.00 0.00 H new ATOM 0 HA ILE A 44 4.386 1.063 -11.807 1.00 0.00 H new ATOM 0 HB ILE A 44 6.570 -0.975 -11.836 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.801 -1.286 -10.648 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.105 -1.692 -12.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.257 -0.815 -9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.778 0.743 -10.026 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.072 0.490 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.278 -3.691 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.855 -3.315 -11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.546 -2.904 -9.927 1.00 0.00 H new ATOM 712 N ALA A 45 5.882 3.016 -12.089 1.00 0.00 N ATOM 713 CA ALA A 45 6.632 4.266 -12.163 1.00 0.00 C ATOM 714 C ALA A 45 6.621 4.988 -10.807 1.00 0.00 C ATOM 715 O ALA A 45 6.315 6.179 -10.719 1.00 0.00 O ATOM 716 CB ALA A 45 6.045 5.130 -13.284 1.00 0.00 C ATOM 0 H ALA A 45 4.931 3.166 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 45 7.677 4.061 -12.396 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.598 6.067 -13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.122 4.597 -14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.997 5.341 -13.070 1.00 0.00 H new ATOM 722 N ALA A 46 6.980 4.260 -9.751 1.00 0.00 N ATOM 723 CA ALA A 46 6.994 4.724 -8.368 1.00 0.00 C ATOM 724 C ALA A 46 8.202 4.147 -7.617 1.00 0.00 C ATOM 725 O ALA A 46 8.838 3.204 -8.090 1.00 0.00 O ATOM 726 CB ALA A 46 5.670 4.281 -7.736 1.00 0.00 C ATOM 0 H ALA A 46 7.282 3.290 -9.841 1.00 0.00 H new ATOM 0 HA ALA A 46 7.089 5.809 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.636 4.608 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.839 4.725 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.592 3.195 -7.778 1.00 0.00 H new ATOM 732 N ASN A 47 8.474 4.650 -6.407 1.00 0.00 N ATOM 733 CA ASN A 47 9.540 4.203 -5.490 1.00 0.00 C ATOM 734 C ASN A 47 9.300 2.784 -4.898 1.00 0.00 C ATOM 735 O ASN A 47 9.834 2.440 -3.844 1.00 0.00 O ATOM 736 CB ASN A 47 9.708 5.294 -4.408 1.00 0.00 C ATOM 737 CG ASN A 47 11.127 5.400 -3.853 1.00 0.00 C ATOM 738 OD1 ASN A 47 11.775 6.427 -3.963 1.00 0.00 O ATOM 739 ND2 ASN A 47 11.646 4.356 -3.246 1.00 0.00 N ATOM 0 H ASN A 47 7.931 5.420 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 47 10.470 4.086 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.420 6.257 -4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.022 5.087 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.592 4.405 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.103 3.497 -3.154 1.00 0.00 H new ATOM 746 N THR A 48 8.485 1.966 -5.568 1.00 0.00 N ATOM 747 CA THR A 48 8.013 0.625 -5.225 1.00 0.00 C ATOM 748 C THR A 48 9.177 -0.331 -4.896 1.00 0.00 C ATOM 749 O THR A 48 9.926 -0.685 -5.813 1.00 0.00 O ATOM 750 CB THR A 48 7.205 0.095 -6.423 1.00 0.00 C ATOM 751 OG1 THR A 48 6.261 1.054 -6.835 1.00 0.00 O ATOM 752 CG2 THR A 48 6.410 -1.161 -6.102 1.00 0.00 C ATOM 0 H THR A 48 8.097 2.262 -6.464 1.00 0.00 H new ATOM 0 HA THR A 48 7.394 0.678 -4.329 1.00 0.00 H new ATOM 0 HB THR A 48 7.944 -0.126 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.559 0.617 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.863 -1.482 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.091 -1.953 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.705 -0.950 -5.298 1.00 0.00 H new ATOM 760 N PRO A 49 9.360 -0.745 -3.622 1.00 0.00 N ATOM 761 CA PRO A 49 10.437 -1.648 -3.210 1.00 0.00 C ATOM 762 C PRO A 49 10.144 -3.122 -3.552 1.00 0.00 C ATOM 763 O PRO A 49 9.043 -3.476 -3.974 1.00 0.00 O ATOM 764 CB PRO A 49 10.569 -1.430 -1.697 1.00 0.00 C ATOM 765 CG PRO A 49 9.134 -1.127 -1.273 1.00 0.00 C ATOM 766 CD PRO A 49 8.606 -0.309 -2.451 1.00 0.00 C ATOM 0 HA PRO A 49 11.363 -1.430 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.962 -2.314 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.242 -0.605 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.555 -2.038 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.097 -0.565 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.538 -0.475 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.742 0.758 -2.276 1.00 0.00 H new ATOM 774 N VAL A 50 11.140 -3.993 -3.329 1.00 0.00 N ATOM 775 CA VAL A 50 11.202 -5.391 -3.800 1.00 0.00 C ATOM 776 C VAL A 50 9.947 -6.218 -3.485 1.00 0.00 C ATOM 777 O VAL A 50 9.429 -6.889 -4.374 1.00 0.00 O ATOM 778 CB VAL A 50 12.471 -6.095 -3.268 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.594 -7.531 -3.800 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.746 -5.340 -3.676 1.00 0.00 C ATOM 0 H VAL A 50 11.965 -3.732 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 50 11.250 -5.332 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 50 12.370 -6.109 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.499 -7.990 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.725 -8.111 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.645 -7.513 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.619 -5.863 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.808 -5.292 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.716 -4.329 -3.269 1.00 0.00 H new ATOM 790 N LEU A 51 9.439 -6.198 -2.248 1.00 0.00 N ATOM 791 CA LEU A 51 8.238 -6.961 -1.878 1.00 0.00 C ATOM 792 C LEU A 51 6.990 -6.411 -2.593 1.00 0.00 C ATOM 793 O LEU A 51 6.206 -7.166 -3.164 1.00 0.00 O ATOM 794 CB LEU A 51 8.041 -6.941 -0.348 1.00 0.00 C ATOM 795 CG LEU A 51 9.006 -7.790 0.509 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.986 -9.271 0.121 1.00 0.00 C ATOM 797 CD2 LEU A 51 10.455 -7.290 0.498 1.00 0.00 C ATOM 0 H LEU A 51 9.842 -5.659 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 51 8.379 -7.993 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.116 -5.906 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.024 -7.272 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 51 8.623 -7.676 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.682 -9.822 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.980 -9.669 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.282 -9.378 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.069 -7.939 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.837 -7.303 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.492 -6.272 0.886 1.00 0.00 H new ATOM 809 N ARG A 52 6.836 -5.082 -2.586 1.00 0.00 N ATOM 810 CA ARG A 52 5.716 -4.334 -3.163 1.00 0.00 C ATOM 811 C ARG A 52 5.665 -4.534 -4.688 1.00 0.00 C ATOM 812 O ARG A 52 4.608 -4.856 -5.235 1.00 0.00 O ATOM 813 CB ARG A 52 5.887 -2.862 -2.730 1.00 0.00 C ATOM 814 CG ARG A 52 4.599 -2.040 -2.634 1.00 0.00 C ATOM 815 CD ARG A 52 3.828 -2.216 -1.312 1.00 0.00 C ATOM 816 NE ARG A 52 3.166 -3.530 -1.190 1.00 0.00 N ATOM 817 CZ ARG A 52 2.945 -4.245 -0.092 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.391 -3.866 1.082 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.261 -5.363 -0.140 1.00 0.00 N ATOM 0 H ARG A 52 7.527 -4.468 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 52 4.752 -4.692 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.380 -2.844 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.557 -2.371 -3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.845 -0.986 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.945 -2.315 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.517 -2.086 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.077 -1.430 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 52 2.835 -3.943 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.924 -3.001 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.205 -4.437 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.890 -5.696 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.101 -5.900 0.712 1.00 0.00 H new ATOM 833 N LYS A 53 6.818 -4.422 -5.368 1.00 0.00 N ATOM 834 CA LYS A 53 6.936 -4.702 -6.804 1.00 0.00 C ATOM 835 C LYS A 53 6.609 -6.165 -7.082 1.00 0.00 C ATOM 836 O LYS A 53 5.797 -6.435 -7.960 1.00 0.00 O ATOM 837 CB LYS A 53 8.281 -4.215 -7.402 1.00 0.00 C ATOM 838 CG LYS A 53 9.528 -5.115 -7.318 1.00 0.00 C ATOM 839 CD LYS A 53 9.636 -6.181 -8.417 1.00 0.00 C ATOM 840 CE LYS A 53 10.730 -7.214 -8.147 1.00 0.00 C ATOM 841 NZ LYS A 53 10.801 -8.185 -9.263 1.00 0.00 N ATOM 0 H LYS A 53 7.695 -4.134 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 53 6.192 -4.111 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.108 -3.997 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.529 -3.270 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.416 -4.484 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.533 -5.613 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.678 -6.692 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.834 -5.692 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.691 -6.714 -8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.525 -7.737 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.764 -8.572 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.128 -8.959 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.561 -7.707 -10.155 1.00 0.00 H new ATOM 855 N SER A 54 7.176 -7.087 -6.292 1.00 0.00 N ATOM 856 CA SER A 54 6.955 -8.527 -6.447 1.00 0.00 C ATOM 857 C SER A 54 5.479 -8.903 -6.307 1.00 0.00 C ATOM 858 O SER A 54 5.024 -9.772 -7.036 1.00 0.00 O ATOM 859 CB SER A 54 7.794 -9.348 -5.464 1.00 0.00 C ATOM 860 OG SER A 54 9.166 -9.041 -5.609 1.00 0.00 O ATOM 0 H SER A 54 7.804 -6.851 -5.524 1.00 0.00 H new ATOM 0 HA SER A 54 7.276 -8.769 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.475 -9.141 -4.443 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.633 -10.412 -5.639 1.00 0.00 H new ATOM 0 HG SER A 54 9.309 -8.088 -5.429 1.00 0.00 H new ATOM 866 N GLU A 55 4.709 -8.240 -5.435 1.00 0.00 N ATOM 867 CA GLU A 55 3.257 -8.436 -5.349 1.00 0.00 C ATOM 868 C GLU A 55 2.524 -7.967 -6.625 1.00 0.00 C ATOM 869 O GLU A 55 1.706 -8.707 -7.170 1.00 0.00 O ATOM 870 CB GLU A 55 2.715 -7.703 -4.111 1.00 0.00 C ATOM 871 CG GLU A 55 1.347 -8.249 -3.669 1.00 0.00 C ATOM 872 CD GLU A 55 0.501 -7.261 -2.848 1.00 0.00 C ATOM 873 OE1 GLU A 55 1.050 -6.244 -2.346 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.724 -7.496 -2.761 1.00 0.00 O ATOM 0 H GLU A 55 5.073 -7.556 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 55 3.067 -9.505 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.426 -7.802 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.627 -6.639 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.783 -8.542 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.504 -9.152 -3.078 1.00 0.00 H new ATOM 881 N LEU A 56 2.824 -6.762 -7.143 1.00 0.00 N ATOM 882 CA LEU A 56 2.228 -6.284 -8.410 1.00 0.00 C ATOM 883 C LEU A 56 2.568 -7.182 -9.596 1.00 0.00 C ATOM 884 O LEU A 56 1.717 -7.510 -10.421 1.00 0.00 O ATOM 885 CB LEU A 56 2.634 -4.833 -8.685 1.00 0.00 C ATOM 886 CG LEU A 56 2.068 -3.845 -7.650 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.866 -2.510 -8.343 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.703 -4.243 -7.081 1.00 0.00 C ATOM 0 H LEU A 56 3.471 -6.103 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 56 1.146 -6.328 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.722 -4.761 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.289 -4.547 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 56 2.782 -3.821 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.465 -1.788 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.821 -2.150 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.167 -2.632 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.377 -3.494 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.024 -4.308 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.783 -5.211 -6.587 1.00 0.00 H new ATOM 900 N GLU A 57 3.822 -7.599 -9.624 1.00 0.00 N ATOM 901 CA GLU A 57 4.404 -8.576 -10.545 1.00 0.00 C ATOM 902 C GLU A 57 3.724 -9.955 -10.418 1.00 0.00 C ATOM 903 O GLU A 57 3.425 -10.583 -11.432 1.00 0.00 O ATOM 904 CB GLU A 57 5.906 -8.603 -10.243 1.00 0.00 C ATOM 905 CG GLU A 57 6.826 -9.271 -11.261 1.00 0.00 C ATOM 906 CD GLU A 57 8.264 -8.951 -10.845 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.755 -7.835 -11.160 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.865 -9.746 -10.090 1.00 0.00 O ATOM 0 H GLU A 57 4.512 -7.244 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 57 4.242 -8.297 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.240 -7.573 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.046 -9.105 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.661 -10.348 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.624 -8.899 -12.265 1.00 0.00 H new ATOM 915 N TYR A 58 3.389 -10.392 -9.198 1.00 0.00 N ATOM 916 CA TYR A 58 2.571 -11.577 -8.931 1.00 0.00 C ATOM 917 C TYR A 58 1.178 -11.446 -9.557 1.00 0.00 C ATOM 918 O TYR A 58 0.747 -12.349 -10.271 1.00 0.00 O ATOM 919 CB TYR A 58 2.489 -11.840 -7.416 1.00 0.00 C ATOM 920 CG TYR A 58 2.158 -13.263 -7.024 1.00 0.00 C ATOM 921 CD1 TYR A 58 3.180 -14.231 -7.039 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.871 -13.603 -6.567 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.914 -15.550 -6.625 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.606 -14.914 -6.129 1.00 0.00 C ATOM 925 CZ TYR A 58 1.622 -15.893 -6.169 1.00 0.00 C ATOM 926 OH TYR A 58 1.351 -17.160 -5.754 1.00 0.00 O ATOM 0 H TYR A 58 3.689 -9.916 -8.347 1.00 0.00 H new ATOM 0 HA TYR A 58 3.050 -12.437 -9.398 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.443 -11.569 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.735 -11.178 -6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.172 -13.961 -7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.088 -12.859 -6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.694 -16.296 -6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.376 -15.171 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 58 0.414 -17.219 -5.473 1.00 0.00 H new ATOM 936 N TYR A 59 0.472 -10.322 -9.361 1.00 0.00 N ATOM 937 CA TYR A 59 -0.815 -10.105 -10.040 1.00 0.00 C ATOM 938 C TYR A 59 -0.672 -10.010 -11.564 1.00 0.00 C ATOM 939 O TYR A 59 -1.521 -10.549 -12.284 1.00 0.00 O ATOM 940 CB TYR A 59 -1.549 -8.880 -9.488 1.00 0.00 C ATOM 941 CG TYR A 59 -1.764 -8.902 -7.987 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.368 -10.016 -7.368 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.343 -7.811 -7.206 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.539 -10.046 -5.971 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.511 -7.838 -5.809 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.108 -8.956 -5.187 1.00 0.00 C ATOM 947 OH TYR A 59 -2.265 -8.992 -3.836 1.00 0.00 O ATOM 0 H TYR A 59 0.764 -9.560 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.419 -10.988 -9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.984 -7.985 -9.749 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.518 -8.800 -9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.701 -10.850 -7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.890 -6.952 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.999 -10.902 -5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.182 -7.001 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.035 -8.118 -3.457 1.00 0.00 H new ATOM 957 N ALA A 60 0.397 -9.384 -12.074 1.00 0.00 N ATOM 958 CA ALA A 60 0.742 -9.399 -13.491 1.00 0.00 C ATOM 959 C ALA A 60 0.959 -10.824 -14.059 1.00 0.00 C ATOM 960 O ALA A 60 0.568 -11.092 -15.195 1.00 0.00 O ATOM 961 CB ALA A 60 1.965 -8.514 -13.728 1.00 0.00 C ATOM 0 H ALA A 60 1.050 -8.848 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.112 -8.998 -14.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.223 -8.525 -14.787 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.740 -7.493 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.806 -8.892 -13.146 1.00 0.00 H new ATOM 967 N MET A 61 1.554 -11.725 -13.263 1.00 0.00 N ATOM 968 CA MET A 61 1.801 -13.144 -13.565 1.00 0.00 C ATOM 969 C MET A 61 0.555 -14.041 -13.414 1.00 0.00 C ATOM 970 O MET A 61 0.401 -15.000 -14.177 1.00 0.00 O ATOM 971 CB MET A 61 2.926 -13.629 -12.632 1.00 0.00 C ATOM 972 CG MET A 61 3.353 -15.082 -12.865 1.00 0.00 C ATOM 973 SD MET A 61 4.543 -15.709 -11.649 1.00 0.00 S ATOM 974 CE MET A 61 3.470 -15.870 -10.193 1.00 0.00 C ATOM 0 H MET A 61 1.896 -11.468 -12.337 1.00 0.00 H new ATOM 0 HA MET A 61 2.084 -13.222 -14.615 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.794 -12.982 -12.761 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.598 -13.520 -11.598 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.467 -15.716 -12.850 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.789 -15.166 -13.861 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.013 -16.378 -9.395 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.167 -14.880 -9.853 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.585 -16.450 -10.456 1.00 0.00 H new ATOM 984 N LEU A 62 -0.323 -13.759 -12.442 1.00 0.00 N ATOM 985 CA LEU A 62 -1.620 -14.426 -12.263 1.00 0.00 C ATOM 986 C LEU A 62 -2.581 -14.063 -13.402 1.00 0.00 C ATOM 987 O LEU A 62 -3.035 -14.945 -14.134 1.00 0.00 O ATOM 988 CB LEU A 62 -2.228 -14.054 -10.898 1.00 0.00 C ATOM 989 CG LEU A 62 -1.523 -14.681 -9.679 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.099 -14.046 -8.414 1.00 0.00 C ATOM 991 CD2 LEU A 62 -1.741 -16.192 -9.585 1.00 0.00 C ATOM 0 H LEU A 62 -0.146 -13.041 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.460 -15.504 -12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.209 -12.969 -10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.275 -14.357 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.454 -14.500 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.614 -14.476 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.924 -12.970 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.171 -14.238 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.222 -16.581 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.807 -16.401 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.349 -16.673 -10.481 1.00 0.00 H new ATOM 1003 N SER A 63 -2.828 -12.759 -13.605 1.00 0.00 N ATOM 1004 CA SER A 63 -3.310 -12.224 -14.888 1.00 0.00 C ATOM 1005 C SER A 63 -2.289 -12.520 -16.005 1.00 0.00 C ATOM 1006 O SER A 63 -1.299 -13.203 -15.770 1.00 0.00 O ATOM 1007 CB SER A 63 -3.607 -10.723 -14.764 1.00 0.00 C ATOM 1008 OG SER A 63 -2.412 -9.988 -14.592 1.00 0.00 O ATOM 0 H SER A 63 -2.699 -12.047 -12.886 1.00 0.00 H new ATOM 0 HA SER A 63 -4.243 -12.719 -15.156 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.128 -10.376 -15.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.272 -10.548 -13.918 1.00 0.00 H new ATOM 0 HG SER A 63 -2.036 -10.178 -13.707 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.504 -12.081 -17.249 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.566 -12.366 -18.352 1.00 0.00 C ATOM 1016 C LYS A 64 -0.984 -11.054 -18.872 1.00 0.00 C ATOM 1017 O LYS A 64 -1.238 -10.617 -19.995 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.227 -13.282 -19.397 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.654 -14.668 -18.853 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.554 -15.749 -18.750 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.547 -15.658 -17.589 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.160 -15.839 -16.249 1.00 0.00 N ATOM 0 H LYS A 64 -3.316 -11.528 -17.522 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.706 -12.941 -18.010 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.105 -12.778 -19.801 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.533 -13.428 -20.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.083 -14.525 -17.861 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.449 -15.053 -19.492 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.046 -16.719 -18.688 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.989 -15.738 -19.682 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.225 -16.414 -17.730 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.053 -14.687 -17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.414 -16.019 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.681 -14.978 -15.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.815 -16.647 -16.273 1.00 0.00 H new ATOM 1036 N THR A 65 -0.205 -10.410 -18.004 1.00 0.00 N ATOM 1037 CA THR A 65 0.069 -8.972 -18.035 1.00 0.00 C ATOM 1038 C THR A 65 1.579 -8.717 -18.062 1.00 0.00 C ATOM 1039 O THR A 65 2.311 -9.269 -17.245 1.00 0.00 O ATOM 1040 CB THR A 65 -0.562 -8.355 -16.783 1.00 0.00 C ATOM 1041 OG1 THR A 65 -1.954 -8.596 -16.710 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.359 -6.860 -16.621 1.00 0.00 C ATOM 0 H THR A 65 0.267 -10.888 -17.237 1.00 0.00 H new ATOM 0 HA THR A 65 -0.354 -8.521 -18.933 1.00 0.00 H new ATOM 0 HB THR A 65 -0.027 -8.858 -15.978 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.121 -9.383 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.844 -6.524 -15.705 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.708 -6.641 -16.568 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.794 -6.339 -17.474 1.00 0.00 H new ATOM 1050 N LYS A 66 2.063 -7.870 -18.986 1.00 0.00 N ATOM 1051 CA LYS A 66 3.485 -7.490 -19.034 1.00 0.00 C ATOM 1052 C LYS A 66 3.788 -6.423 -17.972 1.00 0.00 C ATOM 1053 O LYS A 66 2.930 -5.598 -17.676 1.00 0.00 O ATOM 1054 CB LYS A 66 3.842 -7.018 -20.456 1.00 0.00 C ATOM 1055 CG LYS A 66 5.346 -6.740 -20.654 1.00 0.00 C ATOM 1056 CD LYS A 66 5.714 -5.249 -20.558 1.00 0.00 C ATOM 1057 CE LYS A 66 7.230 -5.028 -20.582 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.775 -5.025 -21.959 1.00 0.00 N ATOM 0 H LYS A 66 1.490 -7.436 -19.710 1.00 0.00 H new ATOM 0 HA LYS A 66 4.108 -8.354 -18.803 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.524 -7.776 -21.172 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.281 -6.111 -20.681 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.911 -7.294 -19.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.652 -7.119 -21.629 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.256 -4.709 -21.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.302 -4.832 -19.639 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.465 -4.080 -20.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.718 -5.811 -20.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.803 -4.872 -21.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.576 -5.939 -22.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.330 -4.262 -22.507 1.00 0.00 H new ATOM 1072 N VAL A 67 5.014 -6.409 -17.441 1.00 0.00 N ATOM 1073 CA VAL A 67 5.474 -5.467 -16.408 1.00 0.00 C ATOM 1074 C VAL A 67 6.543 -4.530 -16.971 1.00 0.00 C ATOM 1075 O VAL A 67 7.490 -4.988 -17.609 1.00 0.00 O ATOM 1076 CB VAL A 67 6.028 -6.232 -15.191 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.330 -5.278 -14.032 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.042 -7.290 -14.681 1.00 0.00 C ATOM 0 H VAL A 67 5.737 -7.070 -17.724 1.00 0.00 H new ATOM 0 HA VAL A 67 4.621 -4.868 -16.088 1.00 0.00 H new ATOM 0 HB VAL A 67 6.942 -6.720 -15.531 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.720 -5.845 -13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.071 -4.544 -14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.415 -4.766 -13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.473 -7.805 -13.823 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.111 -6.807 -14.384 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.840 -8.011 -15.473 1.00 0.00 H new ATOM 1088 N TYR A 68 6.401 -3.222 -16.734 1.00 0.00 N ATOM 1089 CA TYR A 68 7.304 -2.183 -17.231 1.00 0.00 C ATOM 1090 C TYR A 68 7.750 -1.241 -16.097 1.00 0.00 C ATOM 1091 O TYR A 68 6.989 -0.382 -15.640 1.00 0.00 O ATOM 1092 CB TYR A 68 6.612 -1.451 -18.385 1.00 0.00 C ATOM 1093 CG TYR A 68 7.530 -0.585 -19.224 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.742 0.763 -18.886 1.00 0.00 C ATOM 1095 CD2 TYR A 68 8.162 -1.131 -20.357 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.585 1.569 -19.677 1.00 0.00 C ATOM 1097 CE2 TYR A 68 9.006 -0.335 -21.151 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.214 1.022 -20.818 1.00 0.00 C ATOM 1099 OH TYR A 68 10.002 1.798 -21.607 1.00 0.00 O ATOM 0 H TYR A 68 5.633 -2.848 -16.176 1.00 0.00 H new ATOM 0 HA TYR A 68 8.222 -2.630 -17.611 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.137 -2.188 -19.033 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.817 -0.826 -17.977 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.257 1.182 -18.017 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.998 -2.166 -20.618 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.750 2.603 -19.412 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.495 -0.761 -22.015 1.00 0.00 H new ATOM 0 HH TYR A 68 10.355 1.260 -22.346 1.00 0.00 H new ATOM 1109 N TYR A 69 8.988 -1.426 -15.620 1.00 0.00 N ATOM 1110 CA TYR A 69 9.577 -0.671 -14.509 1.00 0.00 C ATOM 1111 C TYR A 69 10.097 0.712 -14.935 1.00 0.00 C ATOM 1112 O TYR A 69 11.297 0.975 -14.993 1.00 0.00 O ATOM 1113 CB TYR A 69 10.631 -1.530 -13.793 1.00 0.00 C ATOM 1114 CG TYR A 69 9.994 -2.639 -12.978 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.207 -2.286 -11.866 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.123 -3.995 -13.347 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.507 -3.273 -11.158 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.438 -4.990 -12.620 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.607 -4.626 -11.541 1.00 0.00 C ATOM 1120 OH TYR A 69 7.897 -5.577 -10.879 1.00 0.00 O ATOM 0 H TYR A 69 9.623 -2.124 -16.007 1.00 0.00 H new ATOM 0 HA TYR A 69 8.789 -0.450 -13.789 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.308 -1.963 -14.529 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.232 -0.898 -13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.142 -1.253 -11.558 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.746 -4.270 -14.185 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.889 -2.996 -10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.550 -6.030 -12.889 1.00 0.00 H new ATOM 0 HH TYR A 69 8.432 -6.395 -10.808 1.00 0.00 H new ATOM 1130 N PHE A 70 9.160 1.644 -15.120 1.00 0.00 N ATOM 1131 CA PHE A 70 9.405 3.076 -15.336 1.00 0.00 C ATOM 1132 C PHE A 70 9.703 3.803 -14.000 1.00 0.00 C ATOM 1133 O PHE A 70 9.681 5.027 -13.893 1.00 0.00 O ATOM 1134 CB PHE A 70 8.202 3.624 -16.114 1.00 0.00 C ATOM 1135 CG PHE A 70 8.270 4.996 -16.769 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.416 5.820 -16.731 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.144 5.423 -17.496 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.411 7.071 -17.374 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.146 6.662 -18.154 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.273 7.495 -18.084 1.00 0.00 C ATOM 0 H PHE A 70 8.166 1.414 -15.124 1.00 0.00 H new ATOM 0 HA PHE A 70 10.302 3.252 -15.929 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.970 2.903 -16.898 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.353 3.635 -15.430 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.300 5.488 -16.206 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.270 4.791 -17.548 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.282 7.707 -17.323 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.278 6.975 -18.716 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.267 8.458 -18.573 1.00 0.00 H new ATOM 1224 N LEU A 77 5.312 10.189 -16.229 1.00 0.00 N ATOM 1225 CA LEU A 77 4.070 9.456 -16.465 1.00 0.00 C ATOM 1226 C LEU A 77 2.808 10.262 -16.115 1.00 0.00 C ATOM 1227 O LEU A 77 1.768 10.052 -16.736 1.00 0.00 O ATOM 1228 CB LEU A 77 4.159 8.109 -15.739 1.00 0.00 C ATOM 1229 CG LEU A 77 3.146 7.061 -16.234 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.379 6.608 -17.681 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.305 5.828 -15.355 1.00 0.00 C ATOM 0 HA LEU A 77 3.962 9.274 -17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.166 7.710 -15.858 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.005 8.272 -14.672 1.00 0.00 H new ATOM 0 HG LEU A 77 2.158 7.519 -16.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.626 5.870 -17.957 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.306 7.467 -18.348 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.371 6.164 -17.768 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.601 5.060 -15.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.323 5.448 -15.443 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.105 6.093 -14.317 1.00 0.00 H new ATOM 1243 N GLY A 78 2.904 11.261 -15.226 1.00 0.00 N ATOM 1244 CA GLY A 78 1.886 12.302 -15.045 1.00 0.00 C ATOM 1245 C GLY A 78 1.463 12.976 -16.344 1.00 0.00 C ATOM 1246 O GLY A 78 0.273 13.185 -16.572 1.00 0.00 O ATOM 0 H GLY A 78 3.705 11.369 -14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.008 11.861 -14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.270 13.059 -14.361 1.00 0.00 H new ATOM 1250 N THR A 79 2.438 13.281 -17.205 1.00 0.00 N ATOM 1251 CA THR A 79 2.239 13.881 -18.527 1.00 0.00 C ATOM 1252 C THR A 79 1.561 12.896 -19.498 1.00 0.00 C ATOM 1253 O THR A 79 1.009 13.328 -20.505 1.00 0.00 O ATOM 1254 CB THR A 79 3.595 14.390 -19.071 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.269 15.124 -18.064 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.466 15.321 -20.276 1.00 0.00 C ATOM 0 H THR A 79 3.421 13.111 -16.993 1.00 0.00 H new ATOM 0 HA THR A 79 1.563 14.731 -18.433 1.00 0.00 H new ATOM 0 HB THR A 79 4.138 13.496 -19.378 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.128 15.443 -18.411 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.458 15.636 -20.600 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.968 14.795 -21.090 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.880 16.197 -19.998 1.00 0.00 H new ATOM 1264 N ALA A 80 1.539 11.590 -19.183 1.00 0.00 N ATOM 1265 CA ALA A 80 0.779 10.575 -19.912 1.00 0.00 C ATOM 1266 C ALA A 80 -0.641 10.375 -19.356 1.00 0.00 C ATOM 1267 O ALA A 80 -1.605 10.416 -20.119 1.00 0.00 O ATOM 1268 CB ALA A 80 1.551 9.253 -19.933 1.00 0.00 C ATOM 0 H ALA A 80 2.063 11.208 -18.396 1.00 0.00 H new ATOM 0 HA ALA A 80 0.658 10.936 -20.933 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.976 8.505 -20.478 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.513 9.401 -20.425 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.715 8.911 -18.911 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.789 10.143 -18.040 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.104 9.927 -17.410 1.00 0.00 C ATOM 1276 C VAL A 81 -2.937 11.208 -17.278 1.00 0.00 C ATOM 1277 O VAL A 81 -4.152 11.114 -17.096 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.993 9.220 -16.042 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.269 7.878 -16.178 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.284 10.043 -14.962 1.00 0.00 C ATOM 0 H VAL A 81 -0.007 10.100 -17.387 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.634 9.267 -18.096 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.025 9.078 -15.720 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.203 7.399 -15.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.822 7.234 -16.861 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.265 8.044 -16.569 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.250 9.473 -14.034 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.268 10.271 -15.286 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.829 10.972 -14.797 1.00 0.00 H new ATOM 1405 N VAL A 89 1.723 3.510 -10.120 1.00 0.00 N ATOM 1406 CA VAL A 89 1.460 2.376 -11.014 1.00 0.00 C ATOM 1407 C VAL A 89 0.251 2.692 -11.896 1.00 0.00 C ATOM 1408 O VAL A 89 -0.759 3.218 -11.419 1.00 0.00 O ATOM 1409 CB VAL A 89 1.314 1.061 -10.218 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.265 1.133 -9.100 1.00 0.00 C ATOM 1411 CG2 VAL A 89 0.982 -0.133 -11.124 1.00 0.00 C ATOM 0 HA VAL A 89 2.312 2.222 -11.676 1.00 0.00 H new ATOM 0 HB VAL A 89 2.292 0.914 -9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.217 0.174 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.542 1.913 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.710 1.363 -9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.889 -1.035 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.042 0.054 -11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.779 -0.268 -11.855 1.00 0.00 H new ATOM 1421 N VAL A 90 0.388 2.376 -13.184 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.565 2.667 -14.256 1.00 0.00 C ATOM 1423 C VAL A 90 -0.722 1.400 -15.081 1.00 0.00 C ATOM 1424 O VAL A 90 0.207 1.000 -15.779 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.089 3.833 -15.146 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.126 4.184 -16.221 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.246 5.072 -14.312 1.00 0.00 C ATOM 0 H VAL A 90 1.213 1.883 -13.526 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.518 2.974 -13.825 1.00 0.00 H new ATOM 0 HB VAL A 90 0.820 3.498 -15.646 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.755 5.010 -16.828 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.300 3.316 -16.856 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.061 4.476 -15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.578 5.875 -14.970 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.641 5.394 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.040 4.831 -13.605 1.00 0.00 H new ATOM 1437 N SER A 91 -1.881 0.753 -14.990 1.00 0.00 N ATOM 1438 CA SER A 91 -2.103 -0.516 -15.684 1.00 0.00 C ATOM 1439 C SER A 91 -3.152 -0.334 -16.772 1.00 0.00 C ATOM 1440 O SER A 91 -4.122 0.403 -16.591 1.00 0.00 O ATOM 1441 CB SER A 91 -2.438 -1.641 -14.698 1.00 0.00 C ATOM 1442 OG SER A 91 -1.516 -1.665 -13.624 1.00 0.00 O ATOM 0 H SER A 91 -2.678 1.083 -14.446 1.00 0.00 H new ATOM 0 HA SER A 91 -1.180 -0.825 -16.176 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.448 -1.502 -14.312 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.423 -2.600 -15.216 1.00 0.00 H new ATOM 0 HG SER A 91 -2.004 -1.677 -12.774 1.00 0.00 H new ATOM 1448 N ILE A 92 -2.948 -0.991 -17.914 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.771 -0.871 -19.114 1.00 0.00 C ATOM 1450 C ILE A 92 -4.419 -2.231 -19.401 1.00 0.00 C ATOM 1451 O ILE A 92 -3.766 -3.289 -19.388 1.00 0.00 O ATOM 1452 CB ILE A 92 -2.959 -0.342 -20.321 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.051 0.882 -20.026 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -3.917 -0.006 -21.480 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.770 2.158 -19.579 1.00 0.00 C ATOM 0 H ILE A 92 -2.175 -1.646 -18.031 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.555 -0.133 -18.943 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.277 -1.150 -20.585 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.336 0.601 -19.252 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.476 1.108 -20.924 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.344 0.366 -22.329 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.461 -0.904 -21.775 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.625 0.757 -21.157 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.037 2.945 -19.402 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.464 2.476 -20.357 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.321 1.962 -18.660 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.732 -2.171 -19.638 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.619 -3.302 -19.862 1.00 0.00 C ATOM 1469 C LEU A 93 -6.943 -3.422 -21.353 1.00 0.00 C ATOM 1470 O LEU A 93 -6.589 -4.423 -21.974 1.00 0.00 O ATOM 1471 CB LEU A 93 -7.887 -3.160 -18.991 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.634 -3.095 -17.467 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.395 -1.673 -16.937 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.846 -3.653 -16.718 1.00 0.00 C ATOM 0 H LEU A 93 -6.226 -1.280 -19.680 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.125 -4.226 -19.562 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.417 -2.257 -19.294 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.547 -4.002 -19.198 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.731 -3.681 -17.296 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.225 -1.710 -15.861 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.521 -1.244 -17.428 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.268 -1.055 -17.146 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.664 -3.605 -15.644 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.729 -3.062 -16.963 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.010 -4.690 -17.013 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.559 -2.381 -21.926 1.00 0.00 N ATOM 1487 CA GLU A 94 -7.930 -2.294 -23.342 1.00 0.00 C ATOM 1488 C GLU A 94 -7.279 -1.049 -23.956 1.00 0.00 C ATOM 1489 O GLU A 94 -7.670 0.072 -23.635 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.463 -2.265 -23.546 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.298 -3.239 -22.695 1.00 0.00 C ATOM 1492 CD GLU A 94 -9.857 -4.703 -22.789 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -9.151 -5.083 -23.755 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -10.144 -5.469 -21.839 1.00 0.00 O ATOM 0 H GLU A 94 -7.821 -1.549 -21.398 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.566 -3.190 -23.845 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.813 -1.253 -23.344 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.669 -2.470 -24.596 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.249 -2.924 -21.653 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.342 -3.167 -23.001 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.263 -1.225 -24.812 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.499 -0.098 -25.359 1.00 0.00 C ATOM 1503 C ALA A 95 -6.269 0.784 -26.363 1.00 0.00 C ATOM 1504 O ALA A 95 -5.802 1.882 -26.652 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.202 -0.602 -26.005 1.00 0.00 C ATOM 0 H ALA A 95 -5.952 -2.139 -25.140 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.286 0.544 -24.504 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.644 0.243 -26.407 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.597 -1.113 -25.256 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.442 -1.295 -26.811 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.411 0.306 -26.883 1.00 0.00 N ATOM 1512 CA GLY A 96 -7.968 0.574 -28.219 1.00 0.00 C ATOM 1513 C GLY A 96 -8.121 2.036 -28.649 1.00 0.00 C ATOM 1514 O GLY A 96 -9.233 2.546 -28.749 1.00 0.00 O ATOM 0 H GLY A 96 -8.010 -0.320 -26.345 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.335 0.074 -28.952 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.950 0.105 -28.273 1.00 0.00 H new ATOM 1518 N ASP A 97 -6.991 2.661 -28.976 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.825 3.993 -29.560 1.00 0.00 C ATOM 1520 C ASP A 97 -5.501 3.981 -30.339 1.00 0.00 C ATOM 1521 O ASP A 97 -5.472 4.129 -31.559 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.834 5.050 -28.440 1.00 0.00 C ATOM 1523 CG ASP A 97 -7.223 6.442 -28.931 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -6.719 6.886 -29.986 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -8.050 7.111 -28.255 1.00 0.00 O ATOM 0 H ASP A 97 -6.089 2.209 -28.826 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.639 4.247 -30.239 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.530 4.739 -27.661 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.845 5.096 -27.984 1.00 0.00 H new ATOM 1530 N SER A 98 -4.417 3.644 -29.626 1.00 0.00 N ATOM 1531 CA SER A 98 -3.294 2.865 -30.158 1.00 0.00 C ATOM 1532 C SER A 98 -3.323 1.434 -29.585 1.00 0.00 C ATOM 1533 O SER A 98 -4.349 0.999 -29.064 1.00 0.00 O ATOM 1534 CB SER A 98 -1.979 3.612 -29.915 1.00 0.00 C ATOM 1535 OG SER A 98 -0.969 3.070 -30.741 1.00 0.00 O ATOM 0 H SER A 98 -4.296 3.910 -28.649 1.00 0.00 H new ATOM 0 HA SER A 98 -3.384 2.755 -31.239 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.107 4.673 -30.128 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.690 3.529 -28.867 1.00 0.00 H new ATOM 0 HG SER A 98 -0.546 3.789 -31.255 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.225 0.678 -29.709 1.00 0.00 N ATOM 1542 CA ASP A 99 -2.173 -0.767 -29.435 1.00 0.00 C ATOM 1543 C ASP A 99 -1.477 -1.169 -28.120 1.00 0.00 C ATOM 1544 O ASP A 99 -1.409 -2.363 -27.849 1.00 0.00 O ATOM 1545 CB ASP A 99 -1.458 -1.459 -30.608 1.00 0.00 C ATOM 1546 CG ASP A 99 0.050 -1.203 -30.561 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.488 -0.174 -31.117 1.00 0.00 O ATOM 1548 OD2 ASP A 99 0.783 -1.984 -29.896 1.00 0.00 O ATOM 0 H ASP A 99 -1.328 1.060 -30.009 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.209 -1.086 -29.323 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.649 -2.532 -30.573 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.863 -1.094 -31.552 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.919 -0.216 -27.352 1.00 0.00 N ATOM 1554 CA ILE A 100 0.392 -0.305 -26.666 1.00 0.00 C ATOM 1555 C ILE A 100 0.772 -1.660 -26.034 1.00 0.00 C ATOM 1556 O ILE A 100 1.912 -2.093 -26.170 1.00 0.00 O ATOM 1557 CB ILE A 100 0.553 0.862 -25.657 1.00 0.00 C ATOM 1558 CG1 ILE A 100 2.043 1.142 -25.381 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.186 0.612 -24.325 1.00 0.00 C ATOM 1560 CD1 ILE A 100 2.298 2.447 -24.624 1.00 0.00 C ATOM 0 H ILE A 100 -1.385 0.676 -27.183 1.00 0.00 H new ATOM 0 HA ILE A 100 1.116 -0.216 -27.476 1.00 0.00 H new ATOM 0 HB ILE A 100 0.095 1.734 -26.123 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.458 0.313 -24.807 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.579 1.173 -26.330 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.036 1.463 -23.661 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.251 0.486 -24.518 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.207 -0.289 -23.855 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.369 2.574 -24.468 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.914 3.286 -25.205 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.792 2.413 -23.659 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.185 -2.361 -25.421 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.090 -3.752 -24.966 1.00 0.00 C ATOM 1574 C LEU A 101 0.333 -4.802 -26.018 1.00 0.00 C ATOM 1575 O LEU A 101 0.642 -5.923 -25.616 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.351 -4.183 -24.183 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.700 -3.526 -24.544 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -3.881 -4.463 -24.788 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.051 -2.621 -23.364 1.00 0.00 C ATOM 0 H LEU A 101 -1.097 -1.952 -25.217 1.00 0.00 H new ATOM 0 HA LEU A 101 0.762 -3.738 -24.286 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.464 -5.260 -24.303 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.164 -3.998 -23.125 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.554 -3.022 -25.499 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.767 -3.876 -25.032 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.649 -5.132 -25.616 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.071 -5.050 -23.890 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.001 -2.123 -23.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.133 -3.221 -22.457 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.269 -1.873 -23.234 1.00 0.00 H new