USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 890 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 117 TYR OH : rot 101:sc= 0.401 USER MOD Set 1.2: A 119 CYS SG : rot -123:sc= -1.32! USER MOD Set 2.1: A 35 HIS : no HD1:sc= -3.61! C(o=-6!,f=-8.4!) USER MOD Set 2.2: A 55 GLN : amide:sc= -2.4! C(o=-6!,f=-8.7!) USER MOD Set 2.3: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 ASN : amide:sc= -0.166 X(o=0.05,f=-0.18) USER MOD Set 3.2: A 51 THR OG1 : rot -93:sc= 0.216 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc=0.000602 USER MOD Single : A 19 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.18) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.57 F(o=-1.3!,f=-0.57) USER MOD Single : A 32 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.011) USER MOD Single : A 37 CYS SG : rot -121:sc= 0.917 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0296 (180deg=-0.269) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0712 K(o=-0.071,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 1.14 (180deg=-0.0367) 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 -162:sc= -0.415 (180deg=-0.951) USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.0199 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -170:sc= -2.16 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 137:sc= -1.17 (180deg=-3.93) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.71 F(o=-3!,f=-1.7) USER MOD Single : A 122 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.33) USER MOD Single : A 123 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 127 SER OG : rot 47:sc= 0.976 USER MOD Single : A 128 ASN : amide:sc= -8.76! C(o=-8.8!,f=-8.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -6.58! C(o=-6.6!,f=-8.2!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.388 13.789 -11.949 1.00 0.00 N ATOM 118 CA SER A 12 -0.375 12.411 -11.474 1.00 0.00 C ATOM 119 C SER A 12 0.487 12.276 -10.222 1.00 0.00 C ATOM 120 O SER A 12 1.161 13.222 -9.814 1.00 0.00 O ATOM 121 CB SER A 12 0.146 11.477 -12.568 1.00 0.00 C ATOM 122 OG SER A 12 -0.868 11.185 -13.514 1.00 0.00 O ATOM 0 HA SER A 12 -1.398 12.130 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.995 11.939 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.507 10.551 -12.119 1.00 0.00 H new ATOM 0 HG SER A 12 -0.510 10.588 -14.204 1.00 0.00 H new ATOM 128 N PHE A 13 0.461 11.093 -9.618 1.00 0.00 N ATOM 129 CA PHE A 13 1.238 10.833 -8.412 1.00 0.00 C ATOM 130 C PHE A 13 1.981 9.505 -8.520 1.00 0.00 C ATOM 131 O PHE A 13 1.792 8.750 -9.474 1.00 0.00 O ATOM 132 CB PHE A 13 0.326 10.821 -7.184 1.00 0.00 C ATOM 133 CG PHE A 13 -0.401 12.117 -6.965 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.535 12.424 -7.700 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.049 13.029 -6.023 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.205 13.616 -7.501 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.618 14.222 -5.819 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.747 14.516 -6.559 1.00 0.00 C ATOM 0 H PHE A 13 -0.090 10.299 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 13 1.971 11.632 -8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.403 10.018 -7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.923 10.594 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.899 11.724 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.931 12.805 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.087 13.844 -8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.257 14.924 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.270 15.448 -6.401 1.00 0.00 H new ATOM 148 N VAL A 14 2.828 9.225 -7.534 1.00 0.00 N ATOM 149 CA VAL A 14 3.601 7.989 -7.517 1.00 0.00 C ATOM 150 C VAL A 14 3.888 7.540 -6.088 1.00 0.00 C ATOM 151 O VAL A 14 3.465 8.183 -5.127 1.00 0.00 O ATOM 152 CB VAL A 14 4.934 8.149 -8.271 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.684 8.453 -9.740 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.781 9.238 -7.629 1.00 0.00 C ATOM 0 H VAL A 14 2.996 9.838 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 14 2.998 7.232 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 14 5.482 7.209 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.638 8.563 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.120 7.636 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.115 9.379 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.720 9.338 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.241 10.184 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.990 8.973 -6.593 1.00 0.00 H new ATOM 164 N LEU A 15 4.609 6.433 -5.956 1.00 0.00 N ATOM 165 CA LEU A 15 4.955 5.897 -4.644 1.00 0.00 C ATOM 166 C LEU A 15 6.421 6.161 -4.316 1.00 0.00 C ATOM 167 O LEU A 15 7.299 5.971 -5.157 1.00 0.00 O ATOM 168 CB LEU A 15 4.672 4.394 -4.594 1.00 0.00 C ATOM 169 CG LEU A 15 3.308 3.950 -5.125 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.376 2.520 -5.639 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.246 4.081 -4.043 1.00 0.00 C ATOM 0 H LEU A 15 4.966 5.889 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 15 4.339 6.402 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.446 3.880 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.763 4.062 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 15 3.033 4.600 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.397 2.221 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.107 2.458 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.673 1.855 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.282 3.761 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.515 3.456 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.179 5.121 -3.723 1.00 0.00 H new ATOM 183 N ASP A 16 6.677 6.599 -3.088 1.00 0.00 N ATOM 184 CA ASP A 16 8.038 6.886 -2.648 1.00 0.00 C ATOM 185 C ASP A 16 8.623 5.702 -1.884 1.00 0.00 C ATOM 186 O ASP A 16 9.449 5.876 -0.987 1.00 0.00 O ATOM 187 CB ASP A 16 8.058 8.137 -1.768 1.00 0.00 C ATOM 188 CG ASP A 16 9.370 8.890 -1.863 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.047 8.772 -2.906 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.721 9.597 -0.895 1.00 0.00 O ATOM 0 H ASP A 16 5.961 6.763 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 16 8.650 7.063 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.242 8.797 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.881 7.851 -0.731 1.00 0.00 H new ATOM 195 N PHE A 17 8.188 4.499 -2.244 1.00 0.00 N ATOM 196 CA PHE A 17 8.667 3.286 -1.591 1.00 0.00 C ATOM 197 C PHE A 17 8.836 2.155 -2.601 1.00 0.00 C ATOM 198 O PHE A 17 8.122 2.090 -3.602 1.00 0.00 O ATOM 199 CB PHE A 17 7.698 2.859 -0.487 1.00 0.00 C ATOM 200 CG PHE A 17 6.274 2.747 -0.950 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.811 1.579 -1.535 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.397 3.810 -0.801 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.501 1.473 -1.962 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.086 3.709 -1.225 1.00 0.00 C ATOM 205 CZ PHE A 17 3.637 2.540 -1.808 1.00 0.00 C ATOM 0 H PHE A 17 7.505 4.338 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 17 9.639 3.502 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.018 1.897 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.751 3.579 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.482 0.742 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.742 4.728 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.153 0.557 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.412 4.544 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.613 2.460 -2.143 1.00 0.00 H new ATOM 215 N SER A 18 9.786 1.266 -2.332 1.00 0.00 N ATOM 216 CA SER A 18 10.052 0.139 -3.218 1.00 0.00 C ATOM 217 C SER A 18 9.037 -0.978 -2.997 1.00 0.00 C ATOM 218 O SER A 18 8.563 -1.188 -1.881 1.00 0.00 O ATOM 219 CB SER A 18 11.469 -0.392 -2.992 1.00 0.00 C ATOM 220 OG SER A 18 11.695 -0.675 -1.622 1.00 0.00 O ATOM 0 H SER A 18 10.385 1.304 -1.507 1.00 0.00 H new ATOM 0 HA SER A 18 9.963 0.489 -4.246 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.621 -1.295 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.196 0.342 -3.340 1.00 0.00 H new ATOM 0 HG SER A 18 12.607 -1.014 -1.504 1.00 0.00 H new ATOM 226 N GLN A 19 8.709 -1.692 -4.069 1.00 0.00 N ATOM 227 CA GLN A 19 7.749 -2.788 -3.992 1.00 0.00 C ATOM 228 C GLN A 19 8.200 -3.835 -2.980 1.00 0.00 C ATOM 229 O GLN A 19 9.364 -4.231 -2.936 1.00 0.00 O ATOM 230 CB GLN A 19 7.570 -3.434 -5.367 1.00 0.00 C ATOM 231 CG GLN A 19 7.353 -2.429 -6.488 1.00 0.00 C ATOM 232 CD GLN A 19 6.467 -1.272 -6.071 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.831 -0.107 -6.231 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.295 -1.588 -5.533 1.00 0.00 N ATOM 0 H GLN A 19 9.093 -1.532 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 19 6.793 -2.379 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.451 -4.035 -5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.720 -4.115 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.318 -2.043 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.905 -2.935 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.034 -2.567 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.656 -0.851 -5.234 1.00 0.00 H new ATOM 243 N PRO A 20 7.256 -4.296 -2.145 1.00 0.00 N ATOM 244 CA PRO A 20 7.532 -5.305 -1.118 1.00 0.00 C ATOM 245 C PRO A 20 7.814 -6.679 -1.715 1.00 0.00 C ATOM 246 O PRO A 20 8.747 -7.367 -1.301 1.00 0.00 O ATOM 247 CB PRO A 20 6.242 -5.334 -0.294 1.00 0.00 C ATOM 248 CG PRO A 20 5.183 -4.866 -1.232 1.00 0.00 C ATOM 249 CD PRO A 20 5.847 -3.869 -2.141 1.00 0.00 C ATOM 0 HA PRO A 20 8.421 -5.061 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.030 -6.338 0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.314 -4.684 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.770 -5.699 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.355 -4.409 -0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.418 -3.891 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.737 -2.850 -1.769 1.00 0.00 H new ATOM 257 N SER A 21 7.002 -7.073 -2.691 1.00 0.00 N ATOM 258 CA SER A 21 7.162 -8.367 -3.343 1.00 0.00 C ATOM 259 C SER A 21 8.597 -8.560 -3.823 1.00 0.00 C ATOM 260 O SER A 21 9.124 -9.672 -3.811 1.00 0.00 O ATOM 261 CB SER A 21 6.196 -8.491 -4.523 1.00 0.00 C ATOM 262 OG SER A 21 6.699 -7.820 -5.666 1.00 0.00 O ATOM 0 H SER A 21 6.227 -6.514 -3.047 1.00 0.00 H new ATOM 0 HA SER A 21 6.934 -9.144 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.035 -9.543 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.227 -8.074 -4.249 1.00 0.00 H new ATOM 0 HG SER A 21 6.065 -7.915 -6.407 1.00 0.00 H new ATOM 268 N ALA A 22 9.224 -7.467 -4.247 1.00 0.00 N ATOM 269 CA ALA A 22 10.599 -7.513 -4.729 1.00 0.00 C ATOM 270 C ALA A 22 11.412 -8.557 -3.972 1.00 0.00 C ATOM 271 O ALA A 22 12.257 -9.239 -4.551 1.00 0.00 O ATOM 272 CB ALA A 22 11.248 -6.143 -4.605 1.00 0.00 C ATOM 0 H ALA A 22 8.801 -6.539 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 22 10.580 -7.799 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.274 -6.192 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.688 -5.420 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.248 -5.834 -3.560 1.00 0.00 H new ATOM 278 N ASP A 23 11.150 -8.677 -2.675 1.00 0.00 N ATOM 279 CA ASP A 23 11.858 -9.639 -1.838 1.00 0.00 C ATOM 280 C ASP A 23 10.917 -10.740 -1.361 1.00 0.00 C ATOM 281 O ASP A 23 10.177 -10.563 -0.393 1.00 0.00 O ATOM 282 CB ASP A 23 12.489 -8.934 -0.636 1.00 0.00 C ATOM 283 CG ASP A 23 13.420 -7.811 -1.046 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.918 -6.720 -1.389 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.651 -8.022 -1.025 1.00 0.00 O ATOM 0 H ASP A 23 10.453 -8.120 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 23 12.646 -10.094 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.701 -8.534 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.042 -9.661 -0.041 1.00 0.00 H new ATOM 290 N TYR A 24 10.949 -11.877 -2.048 1.00 0.00 N ATOM 291 CA TYR A 24 10.096 -13.007 -1.697 1.00 0.00 C ATOM 292 C TYR A 24 10.295 -13.407 -0.238 1.00 0.00 C ATOM 293 O TYR A 24 9.334 -13.509 0.527 1.00 0.00 O ATOM 294 CB TYR A 24 10.392 -14.198 -2.609 1.00 0.00 C ATOM 295 CG TYR A 24 9.576 -15.428 -2.281 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.188 -15.404 -2.349 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.192 -16.615 -1.902 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.439 -16.525 -2.050 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.451 -17.741 -1.603 1.00 0.00 C ATOM 300 CZ TYR A 24 8.074 -17.691 -1.678 1.00 0.00 C ATOM 301 OH TYR A 24 7.332 -18.811 -1.379 1.00 0.00 O ATOM 0 H TYR A 24 11.556 -12.041 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 24 9.058 -12.703 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.201 -13.910 -3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.451 -14.445 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.687 -14.493 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.269 -16.657 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.361 -16.489 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.946 -18.656 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 24 7.933 -19.546 -1.137 1.00 0.00 H new ATOM 311 N LEU A 25 11.548 -13.631 0.142 1.00 0.00 N ATOM 312 CA LEU A 25 11.875 -14.020 1.509 1.00 0.00 C ATOM 313 C LEU A 25 11.523 -12.906 2.491 1.00 0.00 C ATOM 314 O LEU A 25 10.622 -13.055 3.316 1.00 0.00 O ATOM 315 CB LEU A 25 13.362 -14.362 1.621 1.00 0.00 C ATOM 316 CG LEU A 25 13.743 -15.809 1.306 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.000 -16.768 2.223 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.453 -16.131 -0.153 1.00 0.00 C ATOM 0 H LEU A 25 12.354 -13.550 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 25 11.285 -14.902 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.917 -13.707 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.692 -14.133 2.634 1.00 0.00 H new ATOM 0 HG LEU A 25 14.813 -15.929 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.284 -17.793 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.257 -16.553 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.926 -16.647 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.730 -17.165 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.390 -15.994 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.031 -15.465 -0.794 1.00 0.00 H new ATOM 330 N ASP A 26 12.238 -11.791 2.393 1.00 0.00 N ATOM 331 CA ASP A 26 11.998 -10.650 3.270 1.00 0.00 C ATOM 332 C ASP A 26 10.509 -10.329 3.350 1.00 0.00 C ATOM 333 O ASP A 26 10.047 -9.716 4.312 1.00 0.00 O ATOM 334 CB ASP A 26 12.771 -9.427 2.773 1.00 0.00 C ATOM 335 CG ASP A 26 12.763 -8.291 3.777 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.673 -7.743 4.043 1.00 0.00 O ATOM 337 OD2 ASP A 26 13.847 -7.949 4.295 1.00 0.00 O ATOM 0 H ASP A 26 12.988 -11.652 1.716 1.00 0.00 H new ATOM 0 HA ASP A 26 12.348 -10.911 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.801 -9.713 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.336 -9.082 1.835 1.00 0.00 H new ATOM 342 N PHE A 27 9.764 -10.747 2.332 1.00 0.00 N ATOM 343 CA PHE A 27 8.327 -10.502 2.286 1.00 0.00 C ATOM 344 C PHE A 27 7.571 -11.547 3.101 1.00 0.00 C ATOM 345 O PHE A 27 6.856 -11.214 4.047 1.00 0.00 O ATOM 346 CB PHE A 27 7.833 -10.513 0.838 1.00 0.00 C ATOM 347 CG PHE A 27 6.337 -10.574 0.716 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.675 -11.791 0.743 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.593 -9.414 0.572 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.299 -11.850 0.631 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.216 -9.467 0.460 1.00 0.00 C ATOM 352 CZ PHE A 27 3.569 -10.687 0.489 1.00 0.00 C ATOM 0 H PHE A 27 10.131 -11.257 1.528 1.00 0.00 H new ATOM 0 HA PHE A 27 8.137 -9.521 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.195 -9.618 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.267 -11.369 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.241 -12.704 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.094 -8.458 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.795 -12.805 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.647 -8.556 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.494 -10.731 0.401 1.00 0.00 H new ATOM 362 N ARG A 28 7.733 -12.812 2.727 1.00 0.00 N ATOM 363 CA ARG A 28 7.065 -13.906 3.421 1.00 0.00 C ATOM 364 C ARG A 28 7.327 -13.838 4.922 1.00 0.00 C ATOM 365 O ARG A 28 6.494 -14.253 5.727 1.00 0.00 O ATOM 366 CB ARG A 28 7.538 -15.253 2.870 1.00 0.00 C ATOM 367 CG ARG A 28 8.825 -15.752 3.506 1.00 0.00 C ATOM 368 CD ARG A 28 9.142 -17.176 3.077 1.00 0.00 C ATOM 369 NE ARG A 28 10.096 -17.819 3.977 1.00 0.00 N ATOM 370 CZ ARG A 28 10.218 -19.137 4.099 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.452 -19.946 3.381 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.110 -19.647 4.939 1.00 0.00 N ATOM 0 H ARG A 28 8.321 -13.104 1.947 1.00 0.00 H new ATOM 0 HA ARG A 28 5.993 -13.809 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.755 -15.995 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.685 -15.164 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.649 -15.095 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.736 -15.709 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.222 -17.759 3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.547 -17.168 2.065 1.00 0.00 H new ATOM 0 HE ARG A 28 10.702 -17.224 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.767 -19.558 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.548 -20.957 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.703 -19.027 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.203 -20.658 5.032 1.00 0.00 H new ATOM 386 N ASN A 29 8.491 -13.312 5.291 1.00 0.00 N ATOM 387 CA ASN A 29 8.863 -13.191 6.696 1.00 0.00 C ATOM 388 C ASN A 29 7.873 -12.306 7.447 1.00 0.00 C ATOM 389 O ASN A 29 7.535 -12.574 8.600 1.00 0.00 O ATOM 390 CB ASN A 29 10.276 -12.617 6.823 1.00 0.00 C ATOM 391 CG ASN A 29 11.348 -13.660 6.574 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.997 -13.576 5.418 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.590 -14.529 7.410 1.00 0.00 N flip ATOM 0 H ASN A 29 9.192 -12.963 4.637 1.00 0.00 H new ATOM 0 HA ASN A 29 8.841 -14.187 7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.398 -11.798 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.406 -12.197 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.066 -14.555 8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.315 -15.223 7.229 1.00 0.00 H new ATOM 400 N ARG A 30 7.412 -11.250 6.785 1.00 0.00 N ATOM 401 CA ARG A 30 6.461 -10.325 7.389 1.00 0.00 C ATOM 402 C ARG A 30 5.050 -10.905 7.370 1.00 0.00 C ATOM 403 O ARG A 30 4.267 -10.693 8.297 1.00 0.00 O ATOM 404 CB ARG A 30 6.482 -8.984 6.653 1.00 0.00 C ATOM 405 CG ARG A 30 7.874 -8.544 6.229 1.00 0.00 C ATOM 406 CD ARG A 30 8.842 -8.553 7.402 1.00 0.00 C ATOM 407 NE ARG A 30 8.480 -7.569 8.418 1.00 0.00 N ATOM 408 CZ ARG A 30 9.347 -7.051 9.281 1.00 0.00 C ATOM 409 NH1 ARG A 30 10.620 -7.422 9.252 1.00 0.00 N ATOM 410 NH2 ARG A 30 8.942 -6.160 10.177 1.00 0.00 N ATOM 0 H ARG A 30 7.682 -11.014 5.830 1.00 0.00 H new ATOM 0 HA ARG A 30 6.757 -10.167 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.847 -9.054 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.049 -8.219 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.243 -9.206 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.826 -7.542 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.860 -9.547 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.850 -8.348 7.042 1.00 0.00 H new ATOM 0 HE ARG A 30 7.508 -7.263 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.936 -8.107 8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.283 -7.022 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.964 -5.872 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.609 -5.763 10.839 1.00 0.00 H new ATOM 424 N LEU A 31 4.732 -11.638 6.309 1.00 0.00 N ATOM 425 CA LEU A 31 3.415 -12.249 6.168 1.00 0.00 C ATOM 426 C LEU A 31 3.243 -13.405 7.148 1.00 0.00 C ATOM 427 O LEU A 31 2.134 -13.894 7.356 1.00 0.00 O ATOM 428 CB LEU A 31 3.212 -12.746 4.735 1.00 0.00 C ATOM 429 CG LEU A 31 1.856 -13.383 4.431 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.772 -12.320 4.352 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.919 -14.181 3.137 1.00 0.00 C ATOM 0 H LEU A 31 5.368 -11.824 5.534 1.00 0.00 H new ATOM 0 HA LEU A 31 2.665 -11.491 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.356 -11.905 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.991 -13.474 4.511 1.00 0.00 H new ATOM 0 HG LEU A 31 1.607 -14.066 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.186 -12.793 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.709 -11.793 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.015 -11.611 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.945 -14.627 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.191 -13.520 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.666 -14.969 3.231 1.00 0.00 H new ATOM 443 N GLN A 32 4.349 -13.835 7.747 1.00 0.00 N ATOM 444 CA GLN A 32 4.320 -14.932 8.707 1.00 0.00 C ATOM 445 C GLN A 32 4.412 -14.408 10.136 1.00 0.00 C ATOM 446 O GLN A 32 4.062 -15.106 11.087 1.00 0.00 O ATOM 447 CB GLN A 32 5.466 -15.907 8.433 1.00 0.00 C ATOM 448 CG GLN A 32 5.664 -16.938 9.533 1.00 0.00 C ATOM 449 CD GLN A 32 6.382 -18.181 9.046 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.422 -18.563 9.584 1.00 0.00 O ATOM 451 NE2 GLN A 32 5.830 -18.821 8.021 1.00 0.00 N ATOM 0 H GLN A 32 5.276 -13.441 7.585 1.00 0.00 H new ATOM 0 HA GLN A 32 3.371 -15.456 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.275 -16.424 7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.390 -15.342 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.233 -16.490 10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.693 -17.220 9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.967 -18.470 7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.269 -19.664 7.650 1.00 0.00 H new ATOM 460 N ALA A 33 4.886 -13.175 10.280 1.00 0.00 N ATOM 461 CA ALA A 33 5.023 -12.557 11.593 1.00 0.00 C ATOM 462 C ALA A 33 3.897 -11.563 11.851 1.00 0.00 C ATOM 463 O ALA A 33 3.552 -11.285 13.000 1.00 0.00 O ATOM 464 CB ALA A 33 6.375 -11.870 11.714 1.00 0.00 C ATOM 0 H ALA A 33 5.182 -12.584 9.503 1.00 0.00 H new ATOM 0 HA ALA A 33 4.959 -13.342 12.346 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.464 -11.413 12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.169 -12.604 11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.462 -11.100 10.948 1.00 0.00 H new ATOM 470 N ASP A 34 3.327 -11.028 10.777 1.00 0.00 N ATOM 471 CA ASP A 34 2.239 -10.064 10.888 1.00 0.00 C ATOM 472 C ASP A 34 0.967 -10.603 10.240 1.00 0.00 C ATOM 473 O ASP A 34 -0.095 -9.986 10.325 1.00 0.00 O ATOM 474 CB ASP A 34 2.635 -8.738 10.236 1.00 0.00 C ATOM 475 CG ASP A 34 1.943 -7.550 10.873 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.680 -7.600 12.093 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.665 -6.569 10.153 1.00 0.00 O ATOM 0 H ASP A 34 3.601 -11.246 9.819 1.00 0.00 H new ATOM 0 HA ASP A 34 2.043 -9.895 11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.715 -8.608 10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.390 -8.771 9.174 1.00 0.00 H new ATOM 482 N HIS A 35 1.083 -11.758 9.593 1.00 0.00 N ATOM 483 CA HIS A 35 -0.058 -12.381 8.930 1.00 0.00 C ATOM 484 C HIS A 35 -0.691 -11.423 7.925 1.00 0.00 C ATOM 485 O HIS A 35 -1.900 -11.458 7.695 1.00 0.00 O ATOM 486 CB HIS A 35 -1.099 -12.816 9.962 1.00 0.00 C ATOM 487 CG HIS A 35 -0.512 -13.536 11.137 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.386 -14.908 11.193 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.014 -13.066 12.305 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.163 -15.251 12.345 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.399 -14.152 13.038 1.00 0.00 N ATOM 0 H HIS A 35 1.955 -12.282 9.513 1.00 0.00 H new ATOM 0 HA HIS A 35 0.300 -13.260 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.637 -11.937 10.317 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.830 -13.463 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.047 -12.030 12.605 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.382 -16.259 12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.820 -14.115 13.967 1.00 0.00 H new ATOM 499 N VAL A 36 0.134 -10.568 7.329 1.00 0.00 N ATOM 500 CA VAL A 36 -0.345 -9.602 6.348 1.00 0.00 C ATOM 501 C VAL A 36 0.815 -8.848 5.707 1.00 0.00 C ATOM 502 O VAL A 36 1.803 -8.530 6.370 1.00 0.00 O ATOM 503 CB VAL A 36 -1.312 -8.587 6.986 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.552 -7.599 7.857 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.107 -7.861 5.911 1.00 0.00 C ATOM 0 H VAL A 36 1.137 -10.525 7.509 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.876 -10.166 5.581 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.013 -9.129 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.252 -6.890 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.032 -8.137 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.174 -7.060 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.785 -7.148 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.423 -7.330 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.683 -8.584 5.334 1.00 0.00 H new ATOM 515 N CYS A 37 0.688 -8.565 4.416 1.00 0.00 N ATOM 516 CA CYS A 37 1.726 -7.848 3.684 1.00 0.00 C ATOM 517 C CYS A 37 1.278 -7.549 2.257 1.00 0.00 C ATOM 518 O CYS A 37 0.824 -8.440 1.538 1.00 0.00 O ATOM 519 CB CYS A 37 3.021 -8.663 3.665 1.00 0.00 C ATOM 520 SG CYS A 37 4.511 -7.675 3.400 1.00 0.00 S ATOM 0 H CYS A 37 -0.124 -8.821 3.854 1.00 0.00 H new ATOM 0 HA CYS A 37 1.908 -6.902 4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.116 -9.197 4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.953 -9.416 2.879 1.00 0.00 H new ATOM 0 HG CYS A 37 5.126 -8.094 2.334 1.00 0.00 H new ATOM 526 N LEU A 38 1.407 -6.290 1.854 1.00 0.00 N ATOM 527 CA LEU A 38 1.014 -5.872 0.513 1.00 0.00 C ATOM 528 C LEU A 38 1.951 -6.460 -0.537 1.00 0.00 C ATOM 529 O LEU A 38 3.170 -6.325 -0.440 1.00 0.00 O ATOM 530 CB LEU A 38 1.012 -4.345 0.413 1.00 0.00 C ATOM 531 CG LEU A 38 0.883 -3.765 -0.996 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.577 -3.697 -1.413 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.524 -2.387 -1.065 1.00 0.00 C ATOM 0 H LEU A 38 1.781 -5.541 2.437 1.00 0.00 H new ATOM 0 HA LEU A 38 0.007 -6.244 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.190 -3.962 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.935 -3.971 0.855 1.00 0.00 H new ATOM 0 HG LEU A 38 1.407 -4.423 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.649 -3.282 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.005 -4.699 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.125 -3.061 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.423 -1.989 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.028 -1.719 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.581 -2.464 -0.809 1.00 0.00 H new ATOM 545 N GLU A 39 1.372 -7.111 -1.542 1.00 0.00 N ATOM 546 CA GLU A 39 2.156 -7.718 -2.611 1.00 0.00 C ATOM 547 C GLU A 39 2.632 -6.661 -3.604 1.00 0.00 C ATOM 548 O GLU A 39 3.824 -6.371 -3.693 1.00 0.00 O ATOM 549 CB GLU A 39 1.331 -8.781 -3.338 1.00 0.00 C ATOM 550 CG GLU A 39 2.171 -9.763 -4.137 1.00 0.00 C ATOM 551 CD GLU A 39 1.332 -10.662 -5.025 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.202 -11.006 -4.622 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.807 -11.020 -6.123 1.00 0.00 O ATOM 0 H GLU A 39 0.364 -7.231 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 39 3.030 -8.190 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.740 -9.333 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.628 -8.287 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.881 -9.211 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.754 -10.378 -3.452 1.00 0.00 H new ATOM 560 N ASN A 40 1.691 -6.091 -4.348 1.00 0.00 N ATOM 561 CA ASN A 40 2.014 -5.067 -5.336 1.00 0.00 C ATOM 562 C ASN A 40 0.978 -3.947 -5.317 1.00 0.00 C ATOM 563 O ASN A 40 -0.213 -4.192 -5.124 1.00 0.00 O ATOM 564 CB ASN A 40 2.089 -5.684 -6.734 1.00 0.00 C ATOM 565 CG ASN A 40 0.727 -6.101 -7.256 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.311 -7.248 -7.089 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.026 -5.170 -7.892 1.00 0.00 N ATOM 0 H ASN A 40 0.699 -6.320 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 40 2.985 -4.644 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.534 -4.965 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.747 -6.552 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.897 -5.393 -8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.410 -4.232 -8.007 1.00 0.00 H new ATOM 574 N CYS A 41 1.441 -2.718 -5.518 1.00 0.00 N ATOM 575 CA CYS A 41 0.555 -1.559 -5.524 1.00 0.00 C ATOM 576 C CYS A 41 0.919 -0.602 -6.655 1.00 0.00 C ATOM 577 O CYS A 41 2.051 -0.125 -6.738 1.00 0.00 O ATOM 578 CB CYS A 41 0.624 -0.831 -4.181 1.00 0.00 C ATOM 579 SG CYS A 41 -0.239 0.757 -4.157 1.00 0.00 S ATOM 0 H CYS A 41 2.424 -2.498 -5.679 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.464 -1.912 -5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.201 -1.474 -3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.670 -0.668 -3.922 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.126 1.295 -2.979 1.00 0.00 H new ATOM 585 N VAL A 42 -0.048 -0.326 -7.524 1.00 0.00 N ATOM 586 CA VAL A 42 0.171 0.574 -8.650 1.00 0.00 C ATOM 587 C VAL A 42 -0.645 1.852 -8.499 1.00 0.00 C ATOM 588 O VAL A 42 -1.537 1.936 -7.654 1.00 0.00 O ATOM 589 CB VAL A 42 -0.195 -0.100 -9.986 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.635 -1.357 -10.196 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.682 -0.419 -10.032 1.00 0.00 C ATOM 0 H VAL A 42 -0.990 -0.713 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 42 1.232 0.822 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 42 0.030 0.594 -10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.362 -1.819 -11.145 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.693 -1.096 -10.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.445 -2.058 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.923 -0.895 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.935 -1.094 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.255 0.503 -9.932 1.00 0.00 H new ATOM 601 N LEU A 43 -0.333 2.847 -9.322 1.00 0.00 N ATOM 602 CA LEU A 43 -1.038 4.124 -9.281 1.00 0.00 C ATOM 603 C LEU A 43 -1.589 4.487 -10.656 1.00 0.00 C ATOM 604 O LEU A 43 -0.845 4.568 -11.634 1.00 0.00 O ATOM 605 CB LEU A 43 -0.104 5.229 -8.785 1.00 0.00 C ATOM 606 CG LEU A 43 -0.767 6.378 -8.024 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.189 6.958 -6.994 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.233 7.457 -8.990 1.00 0.00 C ATOM 0 H LEU A 43 0.403 2.794 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.875 4.026 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.648 4.778 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.422 5.645 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.639 5.987 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.300 7.774 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.474 6.182 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.080 7.335 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.702 8.267 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.377 7.845 -9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.954 7.033 -9.689 1.00 0.00 H new ATOM 620 N LYS A 44 -2.897 4.707 -10.724 1.00 0.00 N ATOM 621 CA LYS A 44 -3.549 5.065 -11.979 1.00 0.00 C ATOM 622 C LYS A 44 -4.066 6.500 -11.933 1.00 0.00 C ATOM 623 O LYS A 44 -3.836 7.222 -10.963 1.00 0.00 O ATOM 624 CB LYS A 44 -4.704 4.105 -12.270 1.00 0.00 C ATOM 625 CG LYS A 44 -4.275 2.652 -12.381 1.00 0.00 C ATOM 626 CD LYS A 44 -4.336 1.948 -11.036 1.00 0.00 C ATOM 627 CE LYS A 44 -5.760 1.549 -10.680 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.268 0.461 -11.561 1.00 0.00 N ATOM 0 H LYS A 44 -3.527 4.644 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.811 4.988 -12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.449 4.196 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.188 4.404 -13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.919 2.135 -13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.260 2.601 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.703 1.061 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.937 2.604 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.796 1.222 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.412 2.418 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.093 0.010 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.546 0.860 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.521 -0.248 -11.703 1.00 0.00 H new ATOM 642 N ASP A 45 -4.765 6.905 -12.987 1.00 0.00 N ATOM 643 CA ASP A 45 -5.317 8.253 -13.066 1.00 0.00 C ATOM 644 C ASP A 45 -6.349 8.483 -11.966 1.00 0.00 C ATOM 645 O ASP A 45 -7.398 7.838 -11.939 1.00 0.00 O ATOM 646 CB ASP A 45 -5.953 8.487 -14.437 1.00 0.00 C ATOM 647 CG ASP A 45 -5.184 7.812 -15.555 1.00 0.00 C ATOM 648 OD1 ASP A 45 -3.969 8.073 -15.680 1.00 0.00 O ATOM 649 OD2 ASP A 45 -5.796 7.024 -16.306 1.00 0.00 O ATOM 0 H ASP A 45 -4.963 6.320 -13.799 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.501 8.962 -12.927 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.977 8.114 -14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.006 9.558 -14.632 1.00 0.00 H new ATOM 654 N LYS A 46 -6.045 9.405 -11.059 1.00 0.00 N ATOM 655 CA LYS A 46 -6.946 9.721 -9.957 1.00 0.00 C ATOM 656 C LYS A 46 -7.510 8.448 -9.333 1.00 0.00 C ATOM 657 O LYS A 46 -8.660 8.417 -8.897 1.00 0.00 O ATOM 658 CB LYS A 46 -8.090 10.612 -10.445 1.00 0.00 C ATOM 659 CG LYS A 46 -7.630 11.966 -10.958 1.00 0.00 C ATOM 660 CD LYS A 46 -7.329 11.926 -12.447 1.00 0.00 C ATOM 661 CE LYS A 46 -8.606 11.912 -13.273 1.00 0.00 C ATOM 662 NZ LYS A 46 -9.135 13.286 -13.499 1.00 0.00 N ATOM 0 H LYS A 46 -5.181 9.947 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.376 10.256 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.628 10.095 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.796 10.763 -9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.401 12.711 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.739 12.278 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.727 12.792 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.736 11.040 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.412 11.435 -14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.361 11.311 -12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.006 13.234 -14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.344 13.732 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.425 13.852 -14.006 1.00 0.00 H new ATOM 676 N ALA A 47 -6.692 7.402 -9.293 1.00 0.00 N ATOM 677 CA ALA A 47 -7.108 6.128 -8.719 1.00 0.00 C ATOM 678 C ALA A 47 -5.908 5.223 -8.462 1.00 0.00 C ATOM 679 O ALA A 47 -4.858 5.376 -9.087 1.00 0.00 O ATOM 680 CB ALA A 47 -8.106 5.437 -9.637 1.00 0.00 C ATOM 0 H ALA A 47 -5.737 7.411 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.589 6.329 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.408 4.487 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.982 6.072 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.643 5.256 -10.607 1.00 0.00 H new ATOM 686 N ILE A 48 -6.070 4.281 -7.539 1.00 0.00 N ATOM 687 CA ILE A 48 -5.000 3.352 -7.201 1.00 0.00 C ATOM 688 C ILE A 48 -5.510 1.915 -7.166 1.00 0.00 C ATOM 689 O ILE A 48 -6.716 1.675 -7.117 1.00 0.00 O ATOM 690 CB ILE A 48 -4.367 3.693 -5.839 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.194 3.090 -4.702 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.248 5.201 -5.673 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.738 3.525 -3.327 1.00 0.00 C ATOM 0 H ILE A 48 -6.932 4.141 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.242 3.448 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.366 3.263 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.239 3.371 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.145 2.003 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.799 5.426 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.621 5.606 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.239 5.652 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.369 3.059 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.703 3.220 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.813 4.609 -3.245 1.00 0.00 H new ATOM 705 N ALA A 49 -4.583 0.963 -7.190 1.00 0.00 N ATOM 706 CA ALA A 49 -4.938 -0.450 -7.156 1.00 0.00 C ATOM 707 C ALA A 49 -3.796 -1.290 -6.593 1.00 0.00 C ATOM 708 O ALA A 49 -2.625 -1.018 -6.853 1.00 0.00 O ATOM 709 CB ALA A 49 -5.313 -0.933 -8.550 1.00 0.00 C ATOM 0 H ALA A 49 -3.580 1.145 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.799 -0.567 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.576 -1.990 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.165 -0.361 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.467 -0.795 -9.223 1.00 0.00 H new ATOM 715 N GLY A 50 -4.146 -2.313 -5.819 1.00 0.00 N ATOM 716 CA GLY A 50 -3.139 -3.177 -5.231 1.00 0.00 C ATOM 717 C GLY A 50 -3.736 -4.424 -4.610 1.00 0.00 C ATOM 718 O GLY A 50 -4.896 -4.428 -4.197 1.00 0.00 O ATOM 0 H GLY A 50 -5.109 -2.559 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.420 -3.465 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.589 -2.623 -4.470 1.00 0.00 H new ATOM 722 N THR A 51 -2.942 -5.489 -4.545 1.00 0.00 N ATOM 723 CA THR A 51 -3.399 -6.749 -3.974 1.00 0.00 C ATOM 724 C THR A 51 -2.717 -7.028 -2.640 1.00 0.00 C ATOM 725 O THR A 51 -1.489 -7.009 -2.543 1.00 0.00 O ATOM 726 CB THR A 51 -3.134 -7.928 -4.929 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.736 -8.011 -5.228 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.924 -7.768 -6.219 1.00 0.00 C ATOM 0 H THR A 51 -1.979 -5.503 -4.881 1.00 0.00 H new ATOM 0 HA THR A 51 -4.473 -6.653 -3.817 1.00 0.00 H new ATOM 0 HB THR A 51 -3.456 -8.845 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.548 -7.517 -6.053 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.721 -8.613 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.989 -7.734 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.629 -6.843 -6.714 1.00 0.00 H new ATOM 736 N VAL A 52 -3.519 -7.286 -1.612 1.00 0.00 N ATOM 737 CA VAL A 52 -2.992 -7.570 -0.283 1.00 0.00 C ATOM 738 C VAL A 52 -3.020 -9.066 0.011 1.00 0.00 C ATOM 739 O VAL A 52 -3.984 -9.757 -0.318 1.00 0.00 O ATOM 740 CB VAL A 52 -3.789 -6.829 0.807 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.414 -7.346 2.188 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.556 -5.329 0.710 1.00 0.00 C ATOM 0 H VAL A 52 -4.537 -7.304 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.960 -7.219 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.850 -7.020 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.987 -6.811 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.636 -8.411 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.349 -7.187 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.127 -4.821 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.495 -5.116 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.879 -4.973 -0.268 1.00 0.00 H new ATOM 752 N LYS A 53 -1.955 -9.561 0.633 1.00 0.00 N ATOM 753 CA LYS A 53 -1.857 -10.975 0.974 1.00 0.00 C ATOM 754 C LYS A 53 -2.048 -11.188 2.473 1.00 0.00 C ATOM 755 O LYS A 53 -1.687 -10.334 3.282 1.00 0.00 O ATOM 756 CB LYS A 53 -0.500 -11.533 0.539 1.00 0.00 C ATOM 757 CG LYS A 53 -0.537 -13.006 0.170 1.00 0.00 C ATOM 758 CD LYS A 53 -1.309 -13.238 -1.118 1.00 0.00 C ATOM 759 CE LYS A 53 -1.050 -14.628 -1.680 1.00 0.00 C ATOM 760 NZ LYS A 53 0.262 -14.708 -2.381 1.00 0.00 N ATOM 0 H LYS A 53 -1.147 -9.003 0.911 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.648 -11.506 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.139 -10.962 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.219 -11.387 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.481 -13.380 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.998 -13.573 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.376 -13.112 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.024 -12.487 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.074 -15.357 -0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.849 -14.894 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.401 -15.671 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.276 -14.030 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.026 -14.479 -1.714 1.00 0.00 H new ATOM 774 N VAL A 54 -2.618 -12.333 2.835 1.00 0.00 N ATOM 775 CA VAL A 54 -2.854 -12.660 4.236 1.00 0.00 C ATOM 776 C VAL A 54 -2.700 -14.156 4.486 1.00 0.00 C ATOM 777 O VAL A 54 -2.576 -14.941 3.547 1.00 0.00 O ATOM 778 CB VAL A 54 -4.260 -12.218 4.686 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.430 -10.717 4.508 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.329 -12.979 3.916 1.00 0.00 C ATOM 0 H VAL A 54 -2.925 -13.050 2.177 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.107 -12.119 4.817 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.373 -12.449 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.429 -10.423 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.686 -10.193 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.297 -10.458 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.316 -12.655 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.220 -12.781 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.218 -14.048 4.100 1.00 0.00 H new ATOM 790 N GLN A 55 -2.709 -14.542 5.758 1.00 0.00 N ATOM 791 CA GLN A 55 -2.570 -15.945 6.131 1.00 0.00 C ATOM 792 C GLN A 55 -3.932 -16.570 6.414 1.00 0.00 C ATOM 793 O GLN A 55 -4.837 -15.907 6.917 1.00 0.00 O ATOM 794 CB GLN A 55 -1.667 -16.081 7.358 1.00 0.00 C ATOM 795 CG GLN A 55 -0.194 -15.858 7.057 1.00 0.00 C ATOM 796 CD GLN A 55 0.715 -16.645 7.981 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.310 -17.054 9.069 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.953 -16.861 7.550 1.00 0.00 N ATOM 0 H GLN A 55 -2.811 -13.904 6.547 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.115 -16.475 5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.987 -15.365 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.796 -17.076 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.009 -16.142 6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.035 -14.796 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.246 -16.503 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.610 -17.384 8.128 1.00 0.00 H new ATOM 807 N ASN A 56 -4.068 -17.851 6.088 1.00 0.00 N ATOM 808 CA ASN A 56 -5.320 -18.566 6.307 1.00 0.00 C ATOM 809 C ASN A 56 -5.384 -19.130 7.723 1.00 0.00 C ATOM 810 O ASN A 56 -5.519 -20.339 7.917 1.00 0.00 O ATOM 811 CB ASN A 56 -5.470 -19.698 5.288 1.00 0.00 C ATOM 812 CG ASN A 56 -6.903 -20.181 5.167 1.00 0.00 C ATOM 813 OD1 ASN A 56 -7.723 -19.955 6.057 1.00 0.00 O ATOM 814 ND2 ASN A 56 -7.210 -20.850 4.062 1.00 0.00 N ATOM 0 H ASN A 56 -3.327 -18.415 5.671 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.140 -17.859 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.122 -19.355 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.832 -20.532 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.158 -21.200 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.498 -21.014 3.351 1.00 0.00 H new ATOM 821 N LEU A 57 -5.288 -18.246 8.710 1.00 0.00 N ATOM 822 CA LEU A 57 -5.336 -18.654 10.110 1.00 0.00 C ATOM 823 C LEU A 57 -6.733 -19.135 10.490 1.00 0.00 C ATOM 824 O LEU A 57 -6.910 -20.265 10.943 1.00 0.00 O ATOM 825 CB LEU A 57 -4.920 -17.493 11.015 1.00 0.00 C ATOM 826 CG LEU A 57 -3.636 -16.762 10.621 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.471 -15.493 11.442 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.429 -17.673 10.795 1.00 0.00 C ATOM 0 H LEU A 57 -5.176 -17.242 8.567 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.638 -19.480 10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.734 -16.768 11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.801 -17.874 12.029 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.707 -16.483 9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.552 -14.986 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.321 -14.833 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.422 -15.748 12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.524 -17.136 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.354 -17.983 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.543 -18.553 10.162 1.00 0.00 H new ATOM 840 N ALA A 58 -7.723 -18.268 10.300 1.00 0.00 N ATOM 841 CA ALA A 58 -9.105 -18.606 10.618 1.00 0.00 C ATOM 842 C ALA A 58 -9.933 -18.784 9.350 1.00 0.00 C ATOM 843 O ALA A 58 -9.664 -18.153 8.328 1.00 0.00 O ATOM 844 CB ALA A 58 -9.719 -17.533 11.506 1.00 0.00 C ATOM 0 H ALA A 58 -7.593 -17.327 9.928 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.107 -19.554 11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.751 -17.798 11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.149 -17.457 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.697 -16.575 10.987 1.00 0.00 H new ATOM 850 N PHE A 59 -10.940 -19.647 9.424 1.00 0.00 N ATOM 851 CA PHE A 59 -11.807 -19.909 8.281 1.00 0.00 C ATOM 852 C PHE A 59 -12.003 -18.647 7.446 1.00 0.00 C ATOM 853 O PHE A 59 -11.652 -18.611 6.267 1.00 0.00 O ATOM 854 CB PHE A 59 -13.163 -20.438 8.752 1.00 0.00 C ATOM 855 CG PHE A 59 -13.805 -19.584 9.808 1.00 0.00 C ATOM 856 CD1 PHE A 59 -13.400 -19.673 11.131 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.812 -18.692 9.479 1.00 0.00 C ATOM 858 CE1 PHE A 59 -13.989 -18.889 12.104 1.00 0.00 C ATOM 859 CE2 PHE A 59 -15.405 -17.905 10.448 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.992 -18.003 11.763 1.00 0.00 C ATOM 0 H PHE A 59 -11.176 -20.177 10.263 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.327 -20.664 7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.834 -20.509 7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.035 -21.448 9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.615 -20.363 11.404 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.138 -18.610 8.453 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -13.665 -18.969 13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.190 -17.214 10.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.452 -17.388 12.522 1.00 0.00 H new ATOM 870 N GLU A 60 -12.566 -17.615 8.066 1.00 0.00 N ATOM 871 CA GLU A 60 -12.810 -16.352 7.380 1.00 0.00 C ATOM 872 C GLU A 60 -11.936 -15.242 7.957 1.00 0.00 C ATOM 873 O GLU A 60 -11.459 -15.336 9.089 1.00 0.00 O ATOM 874 CB GLU A 60 -14.286 -15.964 7.489 1.00 0.00 C ATOM 875 CG GLU A 60 -15.143 -16.506 6.357 1.00 0.00 C ATOM 876 CD GLU A 60 -16.607 -16.142 6.509 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.177 -16.414 7.587 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.183 -15.586 5.551 1.00 0.00 O ATOM 0 H GLU A 60 -12.862 -17.629 9.042 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.553 -16.483 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.680 -16.328 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.367 -14.877 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.773 -16.118 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.044 -17.591 6.319 1.00 0.00 H new ATOM 885 N LYS A 61 -11.731 -14.190 7.172 1.00 0.00 N ATOM 886 CA LYS A 61 -10.916 -13.060 7.603 1.00 0.00 C ATOM 887 C LYS A 61 -11.565 -11.739 7.206 1.00 0.00 C ATOM 888 O LYS A 61 -12.635 -11.718 6.597 1.00 0.00 O ATOM 889 CB LYS A 61 -9.514 -13.155 6.996 1.00 0.00 C ATOM 890 CG LYS A 61 -9.516 -13.373 5.492 1.00 0.00 C ATOM 891 CD LYS A 61 -8.162 -13.854 4.997 1.00 0.00 C ATOM 892 CE LYS A 61 -7.993 -15.351 5.205 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.744 -16.141 4.190 1.00 0.00 N ATOM 0 H LYS A 61 -12.118 -14.096 6.233 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.838 -13.094 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.967 -12.240 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.975 -13.974 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.281 -14.104 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.779 -12.443 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.056 -13.618 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.370 -13.321 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.935 -15.607 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.339 -15.620 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.237 -16.928 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.439 -15.528 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.081 -16.519 3.484 1.00 0.00 H new ATOM 907 N THR A 62 -10.910 -10.635 7.553 1.00 0.00 N ATOM 908 CA THR A 62 -11.424 -9.309 7.232 1.00 0.00 C ATOM 909 C THR A 62 -10.294 -8.361 6.846 1.00 0.00 C ATOM 910 O THR A 62 -9.452 -8.012 7.673 1.00 0.00 O ATOM 911 CB THR A 62 -12.201 -8.706 8.418 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.337 -9.523 8.724 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.659 -7.290 8.100 1.00 0.00 C ATOM 0 H THR A 62 -10.023 -10.633 8.056 1.00 0.00 H new ATOM 0 HA THR A 62 -12.101 -9.428 6.386 1.00 0.00 H new ATOM 0 HB THR A 62 -11.536 -8.671 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.825 -9.135 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.205 -6.884 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.791 -6.664 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.310 -7.306 7.226 1.00 0.00 H new ATOM 921 N VAL A 63 -10.282 -7.947 5.583 1.00 0.00 N ATOM 922 CA VAL A 63 -9.257 -7.037 5.086 1.00 0.00 C ATOM 923 C VAL A 63 -9.866 -5.711 4.643 1.00 0.00 C ATOM 924 O VAL A 63 -10.852 -5.684 3.906 1.00 0.00 O ATOM 925 CB VAL A 63 -8.482 -7.654 3.907 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.407 -6.697 3.415 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.875 -8.989 4.309 1.00 0.00 C ATOM 0 H VAL A 63 -10.971 -8.228 4.885 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.567 -6.858 5.910 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.180 -7.830 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.870 -7.150 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.871 -5.767 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.709 -6.487 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.331 -9.411 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.190 -8.841 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.668 -9.674 4.608 1.00 0.00 H new ATOM 937 N LYS A 64 -9.272 -4.612 5.096 1.00 0.00 N ATOM 938 CA LYS A 64 -9.754 -3.282 4.744 1.00 0.00 C ATOM 939 C LYS A 64 -8.624 -2.260 4.808 1.00 0.00 C ATOM 940 O LYS A 64 -7.961 -2.117 5.836 1.00 0.00 O ATOM 941 CB LYS A 64 -10.888 -2.864 5.683 1.00 0.00 C ATOM 942 CG LYS A 64 -12.271 -3.206 5.157 1.00 0.00 C ATOM 943 CD LYS A 64 -13.308 -3.196 6.267 1.00 0.00 C ATOM 944 CE LYS A 64 -13.507 -4.585 6.855 1.00 0.00 C ATOM 945 NZ LYS A 64 -14.681 -4.636 7.770 1.00 0.00 N ATOM 0 H LYS A 64 -8.456 -4.616 5.708 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.131 -3.317 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.746 -3.349 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.829 -1.789 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.555 -2.490 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.250 -4.189 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.995 -2.508 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.256 -2.825 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.644 -5.305 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.610 -4.882 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.783 -5.599 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.539 -3.967 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.541 -4.378 7.246 1.00 0.00 H new ATOM 959 N ILE A 65 -8.410 -1.550 3.705 1.00 0.00 N ATOM 960 CA ILE A 65 -7.362 -0.540 3.638 1.00 0.00 C ATOM 961 C ILE A 65 -7.795 0.748 4.329 1.00 0.00 C ATOM 962 O ILE A 65 -8.940 1.182 4.195 1.00 0.00 O ATOM 963 CB ILE A 65 -6.978 -0.223 2.181 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.557 -1.501 1.452 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.861 0.809 2.139 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.212 -2.034 1.895 1.00 0.00 C ATOM 0 H ILE A 65 -8.949 -1.656 2.846 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.494 -0.952 4.153 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.849 0.193 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.314 -2.268 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.526 -1.305 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.601 1.022 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.194 1.726 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.986 0.420 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.978 -2.940 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.444 -1.284 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.244 -2.262 2.960 1.00 0.00 H new ATOM 978 N ARG A 66 -6.872 1.356 5.067 1.00 0.00 N ATOM 979 CA ARG A 66 -7.159 2.596 5.780 1.00 0.00 C ATOM 980 C ARG A 66 -6.376 3.761 5.180 1.00 0.00 C ATOM 981 O ARG A 66 -5.190 3.934 5.461 1.00 0.00 O ATOM 982 CB ARG A 66 -6.816 2.448 7.263 1.00 0.00 C ATOM 983 CG ARG A 66 -6.857 3.758 8.032 1.00 0.00 C ATOM 984 CD ARG A 66 -6.461 3.563 9.487 1.00 0.00 C ATOM 985 NE ARG A 66 -6.409 4.829 10.214 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.833 4.970 11.403 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.264 3.929 11.995 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.826 6.154 12.002 1.00 0.00 N ATOM 0 H ARG A 66 -5.920 1.011 5.187 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.224 2.805 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.514 1.746 7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.821 2.014 7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.184 4.477 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.861 4.180 7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.175 2.896 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.487 3.077 9.536 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.838 5.649 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.268 3.017 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.822 4.040 12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.263 6.957 11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.384 6.261 12.915 1.00 0.00 H new ATOM 1002 N MET A 67 -7.048 4.555 4.353 1.00 0.00 N ATOM 1003 CA MET A 67 -6.415 5.704 3.715 1.00 0.00 C ATOM 1004 C MET A 67 -6.989 7.010 4.254 1.00 0.00 C ATOM 1005 O MET A 67 -8.135 7.059 4.702 1.00 0.00 O ATOM 1006 CB MET A 67 -6.602 5.638 2.198 1.00 0.00 C ATOM 1007 CG MET A 67 -6.027 6.838 1.462 1.00 0.00 C ATOM 1008 SD MET A 67 -6.613 6.956 -0.239 1.00 0.00 S ATOM 1009 CE MET A 67 -5.243 6.214 -1.121 1.00 0.00 C ATOM 0 H MET A 67 -8.030 4.424 4.109 1.00 0.00 H new ATOM 0 HA MET A 67 -5.350 5.675 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.130 4.731 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.666 5.560 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.293 7.749 1.998 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.939 6.773 1.464 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.295 6.492 -2.174 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.303 6.569 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.296 5.129 -1.029 1.00 0.00 H new ATOM 1019 N THR A 68 -6.185 8.068 4.208 1.00 0.00 N ATOM 1020 CA THR A 68 -6.612 9.374 4.693 1.00 0.00 C ATOM 1021 C THR A 68 -5.902 10.497 3.947 1.00 0.00 C ATOM 1022 O THR A 68 -4.845 10.289 3.351 1.00 0.00 O ATOM 1023 CB THR A 68 -6.346 9.528 6.203 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.929 10.744 6.682 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.852 9.528 6.491 1.00 0.00 C ATOM 0 H THR A 68 -5.234 8.045 3.839 1.00 0.00 H new ATOM 0 HA THR A 68 -7.685 9.442 4.512 1.00 0.00 H new ATOM 0 HB THR A 68 -6.800 8.681 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.898 10.758 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.688 9.638 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.416 8.588 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.380 10.358 5.965 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.489 11.689 3.982 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.912 12.846 3.308 1.00 0.00 C ATOM 1035 C PHE A 69 -5.833 14.042 4.252 1.00 0.00 C ATOM 1036 O PHE A 69 -5.520 15.157 3.834 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.741 13.210 2.074 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.170 12.018 1.268 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.315 11.314 1.603 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.428 11.602 0.174 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.712 10.216 0.862 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.820 10.505 -0.570 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.964 9.812 -0.226 1.00 0.00 C ATOM 0 H PHE A 69 -7.364 11.879 4.470 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.901 12.586 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.626 13.762 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.159 13.878 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.904 11.626 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.533 12.141 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.606 9.675 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.232 10.190 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.273 8.956 -0.807 1.00 0.00 H new ATOM 1053 N ASP A 70 -6.119 13.802 5.527 1.00 0.00 N ATOM 1054 CA ASP A 70 -6.080 14.858 6.532 1.00 0.00 C ATOM 1055 C ASP A 70 -5.204 14.452 7.713 1.00 0.00 C ATOM 1056 O ASP A 70 -5.703 14.178 8.805 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.494 15.182 7.017 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.563 16.503 7.757 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -6.706 17.373 7.499 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.474 16.667 8.596 1.00 0.00 O ATOM 0 H ASP A 70 -6.380 12.885 5.889 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.649 15.748 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.170 15.212 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.842 14.383 7.672 1.00 0.00 H new ATOM 1065 N THR A 71 -3.894 14.414 7.487 1.00 0.00 N ATOM 1066 CA THR A 71 -2.949 14.040 8.531 1.00 0.00 C ATOM 1067 C THR A 71 -3.541 12.982 9.455 1.00 0.00 C ATOM 1068 O THR A 71 -3.415 13.071 10.677 1.00 0.00 O ATOM 1069 CB THR A 71 -2.526 15.260 9.370 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.093 16.320 8.509 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.407 14.893 10.333 1.00 0.00 C ATOM 0 H THR A 71 -3.464 14.638 6.590 1.00 0.00 H new ATOM 0 HA THR A 71 -2.071 13.631 8.031 1.00 0.00 H new ATOM 0 HB THR A 71 -3.388 15.592 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.827 17.093 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.125 15.771 10.915 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.749 14.106 11.006 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.544 14.539 9.770 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.186 11.982 8.866 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.797 10.907 9.638 1.00 0.00 C ATOM 1081 C TRP A 72 -5.909 11.443 10.533 1.00 0.00 C ATOM 1082 O TRP A 72 -5.953 11.150 11.729 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.741 10.195 10.486 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.670 9.536 9.670 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.476 10.080 9.292 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.698 8.211 9.130 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.759 9.173 8.550 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.487 8.017 8.437 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.627 7.167 9.166 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.184 6.824 7.787 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.325 5.984 8.520 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.112 5.820 7.838 1.00 0.00 C ATOM 0 H TRP A 72 -4.299 11.893 7.856 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.232 10.193 8.938 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.281 10.916 11.162 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.230 9.444 11.106 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.144 11.077 9.540 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.165 9.334 8.148 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.564 7.283 9.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.250 6.695 7.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.036 5.171 8.541 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.906 4.883 7.343 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.806 12.230 9.949 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.919 12.806 10.693 1.00 0.00 C ATOM 1105 C LYS A 73 -9.255 12.356 10.110 1.00 0.00 C ATOM 1106 O LYS A 73 -10.238 12.199 10.835 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.833 14.334 10.677 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.691 14.888 11.512 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.026 16.259 12.075 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.610 17.369 11.122 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.236 18.672 11.481 1.00 0.00 N ATOM 0 H LYS A 73 -6.784 12.484 8.961 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.855 12.455 11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.716 14.672 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.773 14.746 11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.471 14.202 12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.791 14.955 10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.097 16.324 12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.524 16.393 13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.525 17.471 11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.892 17.099 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.928 19.402 10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.271 18.582 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.947 18.943 12.442 1.00 0.00 H new ATOM 1125 N SER A 74 -9.283 12.148 8.798 1.00 0.00 N ATOM 1126 CA SER A 74 -10.499 11.717 8.118 1.00 0.00 C ATOM 1127 C SER A 74 -10.213 10.546 7.184 1.00 0.00 C ATOM 1128 O SER A 74 -10.048 10.725 5.977 1.00 0.00 O ATOM 1129 CB SER A 74 -11.104 12.879 7.327 1.00 0.00 C ATOM 1130 OG SER A 74 -12.208 12.446 6.551 1.00 0.00 O ATOM 0 H SER A 74 -8.478 12.271 8.184 1.00 0.00 H new ATOM 0 HA SER A 74 -11.213 11.390 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.423 13.663 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.346 13.314 6.676 1.00 0.00 H new ATOM 0 HG SER A 74 -12.578 13.206 6.056 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.155 9.346 7.751 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.886 8.144 6.970 1.00 0.00 C ATOM 1138 C TYR A 75 -11.163 7.336 6.757 1.00 0.00 C ATOM 1139 O TYR A 75 -12.146 7.502 7.480 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.835 7.281 7.670 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.387 6.463 8.815 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.886 5.183 8.603 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -9.410 6.969 10.109 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.393 4.432 9.647 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.913 6.225 11.158 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.403 4.957 10.922 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.907 4.213 11.965 1.00 0.00 O ATOM 0 H TYR A 75 -10.291 9.180 8.748 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.505 8.452 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.384 6.610 6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.040 7.925 8.045 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.877 4.768 7.606 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.028 7.961 10.298 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.779 3.440 9.465 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.923 6.633 12.158 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.840 4.727 12.796 1.00 0.00 H new ATOM 1157 N THR A 76 -11.141 6.459 5.758 1.00 0.00 N ATOM 1158 CA THR A 76 -12.295 5.626 5.447 1.00 0.00 C ATOM 1159 C THR A 76 -11.903 4.155 5.362 1.00 0.00 C ATOM 1160 O THR A 76 -10.790 3.821 4.957 1.00 0.00 O ATOM 1161 CB THR A 76 -12.952 6.048 4.120 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.295 7.437 4.163 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.199 5.221 3.846 1.00 0.00 C ATOM 0 H THR A 76 -10.336 6.308 5.150 1.00 0.00 H new ATOM 0 HA THR A 76 -13.011 5.763 6.257 1.00 0.00 H new ATOM 0 HB THR A 76 -12.237 5.875 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.711 7.698 3.315 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.646 5.537 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.930 4.167 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.916 5.366 4.654 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.826 3.279 5.745 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.577 1.842 5.711 1.00 0.00 C ATOM 1173 C ASP A 77 -13.062 1.239 4.396 1.00 0.00 C ATOM 1174 O ASP A 77 -14.260 1.035 4.199 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.270 1.155 6.888 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.770 1.050 6.696 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.487 1.994 7.091 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.228 0.025 6.150 1.00 0.00 O ATOM 0 H ASP A 77 -13.753 3.539 6.082 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.502 1.682 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.853 0.157 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.062 1.710 7.803 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.123 0.955 3.499 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.455 0.377 2.202 1.00 0.00 C ATOM 1185 C PHE A 78 -12.280 -1.139 2.222 1.00 0.00 C ATOM 1186 O PHE A 78 -11.181 -1.660 2.416 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.577 0.989 1.108 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.628 2.489 1.069 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.762 3.146 0.620 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.540 3.243 1.479 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.812 4.527 0.583 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.584 4.624 1.445 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.721 5.267 0.995 1.00 0.00 C ATOM 0 H PHE A 78 -11.127 1.116 3.647 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.500 0.602 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.545 0.672 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.890 0.597 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.617 2.572 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.647 2.746 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.703 5.027 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.730 5.200 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.757 6.346 0.965 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.389 -1.864 2.016 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.385 -3.330 2.005 1.00 0.00 C ATOM 1205 C PRO A 79 -12.668 -3.899 0.785 1.00 0.00 C ATOM 1206 O PRO A 79 -12.917 -3.478 -0.345 1.00 0.00 O ATOM 1207 CB PRO A 79 -14.872 -3.689 1.967 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.531 -2.507 1.342 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.732 -1.310 1.777 1.00 0.00 C ATOM 0 HA PRO A 79 -12.855 -3.742 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.046 -4.594 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.260 -3.875 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.542 -2.595 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.569 -2.422 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.717 -0.537 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.146 -0.857 2.678 1.00 0.00 H new ATOM 1217 N CYS A 80 -11.779 -4.858 1.021 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.026 -5.484 -0.059 1.00 0.00 C ATOM 1219 C CYS A 80 -11.868 -6.539 -0.769 1.00 0.00 C ATOM 1220 O CYS A 80 -12.748 -7.153 -0.166 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.745 -6.119 0.485 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.361 -4.966 0.646 1.00 0.00 S ATOM 0 H CYS A 80 -11.563 -5.218 1.950 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.762 -4.710 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -9.955 -6.556 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.449 -6.936 -0.173 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.274 -5.628 0.910 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.594 -6.742 -2.054 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.329 -7.721 -2.846 1.00 0.00 C ATOM 1230 C GLN A 81 -11.576 -9.046 -2.908 1.00 0.00 C ATOM 1231 O GLN A 81 -10.500 -9.189 -2.327 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.567 -7.189 -4.260 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.368 -5.898 -4.297 1.00 0.00 C ATOM 1234 CD GLN A 81 -13.889 -5.574 -5.684 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.099 -5.536 -5.911 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -12.978 -5.340 -6.620 1.00 0.00 N ATOM 0 H GLN A 81 -10.869 -6.242 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.291 -7.893 -2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.604 -7.024 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.090 -7.948 -4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.208 -5.976 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.743 -5.077 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.986 -5.382 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.270 -5.118 -7.572 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.149 -10.013 -3.616 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.534 -11.328 -3.752 1.00 0.00 C ATOM 1247 C TYR A 82 -11.074 -11.568 -5.187 1.00 0.00 C ATOM 1248 O TYR A 82 -11.869 -11.511 -6.124 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.518 -12.421 -3.331 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.981 -13.822 -3.513 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.020 -14.337 -2.650 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -12.432 -14.632 -4.547 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.526 -15.616 -2.813 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -11.945 -15.913 -4.717 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.992 -16.401 -3.847 1.00 0.00 C ATOM 1256 OH TYR A 82 -10.502 -17.676 -4.013 1.00 0.00 O ATOM 0 H TYR A 82 -13.039 -9.911 -4.105 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.662 -11.362 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.783 -12.276 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.436 -12.315 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.654 -13.726 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.177 -14.253 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.779 -16.000 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.308 -16.529 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.935 -18.095 -4.786 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.782 -11.838 -5.350 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.214 -12.089 -6.669 1.00 0.00 C ATOM 1268 C VAL A 83 -9.520 -13.507 -7.138 1.00 0.00 C ATOM 1269 O VAL A 83 -9.070 -14.483 -6.536 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.688 -11.877 -6.672 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.115 -12.146 -8.055 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.346 -10.469 -6.209 1.00 0.00 C ATOM 0 H VAL A 83 -9.110 -11.888 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.674 -11.376 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.238 -12.584 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.036 -11.991 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.330 -13.175 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.568 -11.465 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.264 -10.336 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.806 -9.744 -6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.723 -10.317 -5.198 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.563 -16.904 -0.361 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.648 -15.992 -0.704 1.00 0.00 C ATOM 1417 C ASP A 93 -5.109 -14.601 -1.023 1.00 0.00 C ATOM 1418 O ASP A 93 -4.445 -13.976 -0.195 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.657 -15.911 0.443 1.00 0.00 C ATOM 1420 CG ASP A 93 -6.012 -16.124 1.798 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -4.963 -15.500 2.060 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -6.555 -16.916 2.596 1.00 0.00 O ATOM 0 HA ASP A 93 -6.149 -16.380 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.145 -14.937 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.435 -16.660 0.292 1.00 0.00 H new ATOM 1427 N THR A 94 -5.398 -14.122 -2.229 1.00 0.00 N ATOM 1428 CA THR A 94 -4.941 -12.806 -2.658 1.00 0.00 C ATOM 1429 C THR A 94 -6.107 -11.832 -2.779 1.00 0.00 C ATOM 1430 O THR A 94 -6.964 -11.978 -3.651 1.00 0.00 O ATOM 1431 CB THR A 94 -4.206 -12.881 -4.010 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.052 -13.720 -3.894 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.787 -11.494 -4.475 1.00 0.00 C ATOM 0 H THR A 94 -5.946 -14.626 -2.926 1.00 0.00 H new ATOM 0 HA THR A 94 -4.249 -12.447 -1.896 1.00 0.00 H new ATOM 0 HB THR A 94 -4.889 -13.303 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.591 -13.764 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.270 -11.572 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.671 -10.866 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.120 -11.049 -3.737 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.134 -10.836 -1.899 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.196 -9.837 -1.908 1.00 0.00 C ATOM 1443 C PHE A 95 -6.784 -8.613 -2.722 1.00 0.00 C ATOM 1444 O PHE A 95 -5.601 -8.285 -2.814 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.543 -9.418 -0.478 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.098 -10.538 0.356 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.258 -11.499 0.896 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.459 -10.629 0.599 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.766 -12.530 1.664 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -9.972 -11.658 1.367 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.124 -12.610 1.899 1.00 0.00 C ATOM 0 H PHE A 95 -5.433 -10.700 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.076 -10.282 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.648 -9.025 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.269 -8.606 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.195 -11.442 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.126 -9.888 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.101 -13.272 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.035 -11.717 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.523 -13.416 2.498 1.00 0.00 H new ATOM 1461 N SER A 96 -7.770 -7.943 -3.311 1.00 0.00 N ATOM 1462 CA SER A 96 -7.511 -6.758 -4.121 1.00 0.00 C ATOM 1463 C SER A 96 -8.225 -5.539 -3.544 1.00 0.00 C ATOM 1464 O SER A 96 -9.156 -5.669 -2.749 1.00 0.00 O ATOM 1465 CB SER A 96 -7.962 -6.993 -5.564 1.00 0.00 C ATOM 1466 OG SER A 96 -7.470 -5.980 -6.423 1.00 0.00 O ATOM 0 H SER A 96 -8.755 -8.200 -3.242 1.00 0.00 H new ATOM 0 HA SER A 96 -6.438 -6.567 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.609 -7.966 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.051 -7.015 -5.609 1.00 0.00 H new ATOM 0 HG SER A 96 -7.770 -6.154 -7.339 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.781 -4.355 -3.950 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.375 -3.111 -3.474 1.00 0.00 C ATOM 1474 C PHE A 97 -8.253 -2.012 -4.526 1.00 0.00 C ATOM 1475 O PHE A 97 -7.206 -1.854 -5.154 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.704 -2.665 -2.174 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.299 -2.170 -2.363 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.060 -0.881 -2.813 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.218 -2.992 -2.092 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.768 -0.423 -2.989 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.923 -2.539 -2.266 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.698 -1.252 -2.714 1.00 0.00 C ATOM 0 H PHE A 97 -7.012 -4.230 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.433 -3.292 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.301 -1.874 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.695 -3.501 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.892 -0.227 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.388 -3.999 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.595 0.583 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.089 -3.191 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.688 -0.895 -2.849 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.329 -1.257 -4.711 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.344 -0.172 -5.686 1.00 0.00 C ATOM 1494 C ASP A 98 -9.911 1.104 -5.071 1.00 0.00 C ATOM 1495 O ASP A 98 -11.123 1.238 -4.904 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.166 -0.571 -6.913 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.609 -0.880 -6.567 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.888 -2.026 -6.155 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.459 0.023 -6.707 1.00 0.00 O ATOM 0 H ASP A 98 -10.203 -1.376 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.316 0.020 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.136 0.236 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.713 -1.444 -7.382 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.026 2.036 -4.735 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.439 3.301 -4.138 1.00 0.00 C ATOM 1506 C ILE A 99 -9.419 4.426 -5.167 1.00 0.00 C ATOM 1507 O ILE A 99 -8.588 4.437 -6.074 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.533 3.687 -2.954 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.657 2.654 -1.831 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.890 5.075 -2.445 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.436 2.582 -0.940 1.00 0.00 C ATOM 0 H ILE A 99 -8.019 1.940 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.457 3.162 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.498 3.702 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.528 2.894 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.836 1.672 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.241 5.334 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.756 5.802 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.929 5.086 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.594 1.830 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.565 2.312 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.268 3.553 -0.473 1.00 0.00 H new ATOM 1523 N SER A 100 -10.340 5.373 -5.017 1.00 0.00 N ATOM 1524 CA SER A 100 -10.430 6.503 -5.934 1.00 0.00 C ATOM 1525 C SER A 100 -9.810 7.754 -5.318 1.00 0.00 C ATOM 1526 O SER A 100 -10.197 8.181 -4.230 1.00 0.00 O ATOM 1527 CB SER A 100 -11.890 6.773 -6.303 1.00 0.00 C ATOM 1528 OG SER A 100 -12.513 5.605 -6.807 1.00 0.00 O ATOM 0 H SER A 100 -11.034 5.380 -4.269 1.00 0.00 H new ATOM 0 HA SER A 100 -9.875 6.250 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.431 7.127 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.939 7.566 -7.049 1.00 0.00 H new ATOM 0 HG SER A 100 -13.446 5.804 -7.034 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.845 8.335 -6.022 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.169 9.537 -5.545 1.00 0.00 C ATOM 1536 C LEU A 101 -9.101 10.744 -5.600 1.00 0.00 C ATOM 1537 O LEU A 101 -10.052 10.790 -6.380 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.917 9.808 -6.382 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.756 8.831 -6.188 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.618 9.159 -7.142 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.272 8.858 -4.746 1.00 0.00 C ATOM 0 H LEU A 101 -8.513 7.994 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.877 9.372 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.199 9.801 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.562 10.813 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.111 7.825 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.801 8.454 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.973 9.087 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.263 10.172 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.446 8.157 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.934 9.863 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.089 8.573 -4.083 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.822 11.745 -4.752 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.623 12.972 -4.687 1.00 0.00 C ATOM 1555 C PRO A 102 -9.452 13.843 -5.927 1.00 0.00 C ATOM 1556 O PRO A 102 -8.535 13.635 -6.720 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.073 13.688 -3.451 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.679 13.181 -3.307 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.705 11.758 -3.794 1.00 0.00 C ATOM 0 HA PRO A 102 -10.691 12.760 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.089 14.770 -3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.669 13.464 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.983 13.781 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.350 13.233 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.765 11.479 -4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.869 11.056 -2.976 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.126 15.814 4.760 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.435 14.543 4.581 1.00 0.00 C ATOM 1689 C ARG A 110 -1.387 13.476 4.049 1.00 0.00 C ATOM 1690 O ARG A 110 -2.585 13.505 4.328 1.00 0.00 O ATOM 1691 CB ARG A 110 0.178 14.081 5.904 1.00 0.00 C ATOM 1692 CG ARG A 110 1.436 13.245 5.734 1.00 0.00 C ATOM 1693 CD ARG A 110 2.009 12.819 7.077 1.00 0.00 C ATOM 1694 NE ARG A 110 2.610 13.940 7.795 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.438 13.794 8.823 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.762 12.581 9.251 1.00 0.00 N ATOM 1697 NH2 ARG A 110 3.945 14.862 9.426 1.00 0.00 N ATOM 0 HA ARG A 110 0.361 14.691 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.413 14.956 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.562 13.500 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.209 12.361 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.183 13.818 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.218 12.380 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.759 12.044 6.922 1.00 0.00 H new ATOM 0 HE ARG A 110 2.381 14.886 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.375 11.757 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.398 12.472 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.699 15.797 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.581 14.748 10.215 1.00 0.00 H new ATOM 1711 N MET A 111 -0.845 12.536 3.281 1.00 0.00 N ATOM 1712 CA MET A 111 -1.647 11.460 2.711 1.00 0.00 C ATOM 1713 C MET A 111 -0.917 10.124 2.814 1.00 0.00 C ATOM 1714 O MET A 111 0.208 9.984 2.337 1.00 0.00 O ATOM 1715 CB MET A 111 -1.978 11.761 1.248 1.00 0.00 C ATOM 1716 CG MET A 111 -2.653 10.606 0.527 1.00 0.00 C ATOM 1717 SD MET A 111 -3.070 11.002 -1.182 1.00 0.00 S ATOM 1718 CE MET A 111 -1.492 11.596 -1.787 1.00 0.00 C ATOM 0 H MET A 111 0.145 12.498 3.039 1.00 0.00 H new ATOM 0 HA MET A 111 -2.574 11.392 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.627 12.635 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.059 12.019 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.995 9.738 0.544 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.560 10.329 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.305 11.185 -2.779 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.510 12.684 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.700 11.280 -1.108 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.565 9.148 3.441 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.975 7.824 3.607 1.00 0.00 C ATOM 1730 C GLU A 112 -2.058 6.756 3.721 1.00 0.00 C ATOM 1731 O GLU A 112 -3.248 7.067 3.792 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.079 7.793 4.848 1.00 0.00 C ATOM 1733 CG GLU A 112 0.976 8.886 4.865 1.00 0.00 C ATOM 1734 CD GLU A 112 2.078 8.617 5.871 1.00 0.00 C ATOM 1735 OE1 GLU A 112 3.051 7.921 5.512 1.00 0.00 O ATOM 1736 OE2 GLU A 112 1.968 9.102 7.016 1.00 0.00 O ATOM 0 H GLU A 112 -2.497 9.248 3.842 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.370 7.610 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.702 7.887 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.414 6.823 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.412 8.980 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.502 9.840 5.097 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.639 5.495 3.738 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.572 4.380 3.842 1.00 0.00 C ATOM 1745 C PHE A 113 -1.922 3.189 4.540 1.00 0.00 C ATOM 1746 O PHE A 113 -0.791 2.816 4.230 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.061 3.966 2.452 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.148 2.995 1.760 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.161 1.651 2.096 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.275 3.427 0.774 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.321 0.755 1.460 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.434 2.536 0.135 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.456 1.198 0.479 1.00 0.00 C ATOM 0 H PHE A 113 -0.658 5.220 3.681 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.424 4.707 4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.052 3.520 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.167 4.857 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.835 1.299 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.252 4.472 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.342 -0.290 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.240 2.885 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.202 0.500 -0.018 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.645 2.598 5.485 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.140 1.449 6.227 1.00 0.00 C ATOM 1765 C ALA A 114 -3.071 0.250 6.082 1.00 0.00 C ATOM 1766 O ALA A 114 -4.291 0.385 6.167 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.961 1.807 7.695 1.00 0.00 C ATOM 0 H ALA A 114 -3.582 2.896 5.755 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.171 1.175 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.583 0.940 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.251 2.629 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.920 2.109 8.116 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.486 -0.924 5.863 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.263 -2.147 5.706 1.00 0.00 C ATOM 1775 C VAL A 115 -3.788 -2.640 7.050 1.00 0.00 C ATOM 1776 O VAL A 115 -3.019 -2.859 7.986 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.427 -3.264 5.053 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.241 -4.543 4.938 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.920 -2.820 3.689 1.00 0.00 C ATOM 0 H VAL A 115 -1.477 -1.053 5.790 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.104 -1.906 5.056 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.565 -3.467 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.634 -5.320 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.550 -4.868 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.124 -4.359 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.331 -3.621 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.767 -2.588 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.298 -1.932 3.803 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.102 -2.815 7.138 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.731 -3.281 8.368 1.00 0.00 C ATOM 1791 C TYR A 116 -6.286 -4.691 8.195 1.00 0.00 C ATOM 1792 O TYR A 116 -7.401 -4.876 7.706 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.851 -2.327 8.786 1.00 0.00 C ATOM 1794 CG TYR A 116 -7.981 -3.007 9.525 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.774 -3.586 10.771 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.257 -3.070 8.978 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.803 -4.209 11.450 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.292 -3.690 9.650 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.061 -4.258 10.885 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.089 -4.877 11.558 1.00 0.00 O ATOM 0 H TYR A 116 -5.752 -2.641 6.372 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.971 -3.303 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.433 -1.544 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.251 -1.838 7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.791 -3.548 11.217 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.442 -2.627 8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.624 -4.655 12.417 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.278 -3.730 9.210 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.909 -4.823 11.024 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.501 -5.683 8.602 1.00 0.00 N ATOM 1811 CA TYR A 117 -5.913 -7.077 8.491 1.00 0.00 C ATOM 1812 C TYR A 117 -6.410 -7.607 9.833 1.00 0.00 C ATOM 1813 O TYR A 117 -5.633 -7.776 10.771 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.749 -7.936 7.991 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.040 -9.419 8.009 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.077 -9.954 7.254 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.278 -10.287 8.781 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.346 -11.308 7.268 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.539 -11.644 8.800 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.575 -12.149 8.043 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.839 -13.500 8.058 1.00 0.00 O ATOM 0 H TYR A 117 -4.577 -5.547 9.011 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.732 -7.131 7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.498 -7.636 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.872 -7.739 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.683 -9.299 6.646 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.467 -9.894 9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.156 -11.707 6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.935 -12.305 9.404 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.198 -13.965 7.481 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.712 -7.866 9.913 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.314 -8.376 11.139 1.00 0.00 C ATOM 1833 C GLU A 118 -8.609 -9.868 11.021 1.00 0.00 C ATOM 1834 O GLU A 118 -9.164 -10.324 10.020 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.602 -7.614 11.457 1.00 0.00 C ATOM 1836 CG GLU A 118 -9.903 -7.520 12.943 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.240 -8.865 13.556 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -10.914 -9.672 12.882 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.829 -9.112 14.709 1.00 0.00 O ATOM 0 H GLU A 118 -8.369 -7.731 9.144 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.602 -8.227 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.530 -6.607 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.437 -8.104 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.041 -7.096 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.736 -6.835 13.098 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.234 -10.623 12.048 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.457 -12.064 12.059 1.00 0.00 C ATOM 1848 C CYS A 119 -8.158 -12.650 13.435 1.00 0.00 C ATOM 1849 O CYS A 119 -7.317 -12.134 14.170 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.586 -12.744 11.001 1.00 0.00 C ATOM 1851 SG CYS A 119 -5.812 -12.659 11.339 1.00 0.00 S ATOM 0 H CYS A 119 -7.774 -10.261 12.883 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.506 -12.246 11.827 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.880 -13.791 10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.783 -12.283 10.033 1.00 0.00 H new ATOM 0 HG CYS A 119 -5.205 -12.100 10.334 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.853 -13.730 13.776 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.663 -14.385 15.065 1.00 0.00 C ATOM 1859 C ASN A 120 -8.658 -13.364 16.199 1.00 0.00 C ATOM 1860 O ASN A 120 -7.815 -13.417 17.093 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.353 -15.176 15.071 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.434 -16.435 14.229 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.763 -16.423 13.083 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -8.091 -17.405 14.605 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.553 -14.170 13.178 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.495 -15.071 15.221 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.548 -14.543 14.697 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.098 -15.444 16.096 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.591 -17.369 15.493 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.136 -18.245 14.028 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.609 -12.435 16.155 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.697 -11.415 17.184 1.00 0.00 C ATOM 1873 C GLY A 121 -8.407 -10.633 17.337 1.00 0.00 C ATOM 1874 O GLY A 121 -8.010 -10.293 18.451 1.00 0.00 O ATOM 0 H GLY A 121 -10.319 -12.371 15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.508 -10.728 16.942 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.949 -11.884 18.135 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.751 -10.350 16.216 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.498 -9.606 16.233 1.00 0.00 C ATOM 1880 C GLN A 122 -6.523 -8.475 15.210 1.00 0.00 C ATOM 1881 O GLN A 122 -7.441 -8.380 14.395 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.321 -10.541 15.947 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.965 -11.445 17.117 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.648 -10.668 18.379 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -5.314 -10.827 19.403 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.627 -9.822 18.314 1.00 0.00 N ATOM 0 H GLN A 122 -8.066 -10.625 15.286 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.376 -9.172 17.225 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.560 -11.158 15.081 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.449 -9.943 15.682 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.795 -12.124 17.312 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.106 -12.060 16.848 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.102 -9.722 17.445 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.367 -9.272 19.133 1.00 0.00 H new ATOM 1895 N THR A 123 -5.508 -7.617 15.258 1.00 0.00 N ATOM 1896 CA THR A 123 -5.414 -6.491 14.337 1.00 0.00 C ATOM 1897 C THR A 123 -3.965 -6.213 13.954 1.00 0.00 C ATOM 1898 O THR A 123 -3.160 -5.803 14.790 1.00 0.00 O ATOM 1899 CB THR A 123 -6.026 -5.216 14.946 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.327 -5.500 15.473 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.126 -4.113 13.903 1.00 0.00 C ATOM 0 H THR A 123 -4.739 -7.681 15.925 1.00 0.00 H new ATOM 0 HA THR A 123 -5.976 -6.765 13.444 1.00 0.00 H new ATOM 0 HB THR A 123 -5.375 -4.876 15.751 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.708 -4.684 15.860 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.561 -3.222 14.356 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.131 -3.879 13.525 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.758 -4.447 13.080 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.640 -6.438 12.686 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.286 -6.213 12.193 1.00 0.00 C ATOM 1911 C TYR A 124 -2.243 -5.018 11.245 1.00 0.00 C ATOM 1912 O TYR A 124 -3.107 -4.866 10.382 1.00 0.00 O ATOM 1913 CB TYR A 124 -1.767 -7.463 11.480 1.00 0.00 C ATOM 1914 CG TYR A 124 -1.901 -8.727 12.299 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -0.984 -9.032 13.297 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -2.944 -9.616 12.074 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.102 -10.186 14.047 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.071 -10.772 12.820 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.148 -11.053 13.805 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.270 -12.203 14.550 1.00 0.00 O ATOM 0 H TYR A 124 -4.295 -6.776 11.981 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.646 -5.998 13.048 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.309 -7.588 10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.718 -7.316 11.224 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.165 -8.355 13.490 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.668 -9.400 11.303 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.380 -10.408 14.818 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -3.889 -11.452 12.633 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.060 -12.702 14.254 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.232 -4.175 11.414 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.075 -2.993 10.574 1.00 0.00 C ATOM 1932 C TRP A 125 0.217 -3.066 9.767 1.00 0.00 C ATOM 1933 O TRP A 125 1.310 -3.111 10.332 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.083 -1.727 11.432 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.364 -1.527 12.184 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -2.637 -1.930 13.460 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.547 -0.878 11.704 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -3.918 -1.570 13.803 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.497 -0.922 12.743 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.895 -0.262 10.499 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.770 -0.375 12.611 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.159 0.281 10.370 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.084 0.222 11.421 1.00 0.00 C ATOM 0 H TRP A 125 -0.509 -4.287 12.124 1.00 0.00 H new ATOM 0 HA TRP A 125 -1.914 -2.958 9.879 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.257 -1.772 12.142 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.907 -0.862 10.792 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -1.947 -2.455 14.105 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.365 -1.755 14.701 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.189 -0.211 9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.485 -0.420 13.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.439 0.759 9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.064 0.656 11.289 1.00 0.00 H new ATOM 1954 N ASP A 126 0.084 -3.079 8.446 1.00 0.00 N ATOM 1955 CA ASP A 126 1.242 -3.146 7.561 1.00 0.00 C ATOM 1956 C ASP A 126 1.410 -1.842 6.787 1.00 0.00 C ATOM 1957 O ASP A 126 0.724 -1.606 5.793 1.00 0.00 O ATOM 1958 CB ASP A 126 1.100 -4.317 6.588 1.00 0.00 C ATOM 1959 CG ASP A 126 1.902 -4.114 5.317 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.020 -3.564 5.403 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.411 -4.505 4.237 1.00 0.00 O ATOM 0 H ASP A 126 -0.814 -3.044 7.963 1.00 0.00 H new ATOM 0 HA ASP A 126 2.129 -3.300 8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.427 -5.234 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.048 -4.449 6.334 1.00 0.00 H new ATOM 1966 N SER A 127 2.328 -0.999 7.250 1.00 0.00 N ATOM 1967 CA SER A 127 2.583 0.283 6.603 1.00 0.00 C ATOM 1968 C SER A 127 4.081 0.512 6.424 1.00 0.00 C ATOM 1969 O SER A 127 4.793 0.814 7.381 1.00 0.00 O ATOM 1970 CB SER A 127 1.976 1.422 7.425 1.00 0.00 C ATOM 1971 OG SER A 127 2.662 1.586 8.654 1.00 0.00 O ATOM 0 H SER A 127 2.907 -1.181 8.070 1.00 0.00 H new ATOM 0 HA SER A 127 2.115 0.265 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.019 2.350 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.923 1.215 7.617 1.00 0.00 H new ATOM 0 HG SER A 127 3.628 1.590 8.491 1.00 0.00 H new ATOM 1977 N ASN A 128 4.551 0.366 5.189 1.00 0.00 N ATOM 1978 CA ASN A 128 5.964 0.556 4.883 1.00 0.00 C ATOM 1979 C ASN A 128 6.844 -0.108 5.937 1.00 0.00 C ATOM 1980 O ASN A 128 7.990 0.291 6.145 1.00 0.00 O ATOM 1981 CB ASN A 128 6.292 2.048 4.795 1.00 0.00 C ATOM 1982 CG ASN A 128 5.794 2.675 3.506 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.139 2.018 2.697 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.103 3.951 3.311 1.00 0.00 N ATOM 0 H ASN A 128 3.975 0.117 4.385 1.00 0.00 H new ATOM 0 HA ASN A 128 6.167 0.088 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.846 2.566 5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.371 2.185 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.795 4.426 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.648 4.456 4.009 1.00 0.00 H new ATOM 1991 N ARG A 129 6.300 -1.123 6.600 1.00 0.00 N ATOM 1992 CA ARG A 129 7.034 -1.842 7.634 1.00 0.00 C ATOM 1993 C ARG A 129 7.965 -0.901 8.394 1.00 0.00 C ATOM 1994 O ARG A 129 9.092 -1.263 8.729 1.00 0.00 O ATOM 1995 CB ARG A 129 7.841 -2.984 7.015 1.00 0.00 C ATOM 1996 CG ARG A 129 7.014 -3.907 6.135 1.00 0.00 C ATOM 1997 CD ARG A 129 6.254 -4.933 6.963 1.00 0.00 C ATOM 1998 NE ARG A 129 5.284 -4.305 7.856 1.00 0.00 N ATOM 1999 CZ ARG A 129 4.827 -4.878 8.963 1.00 0.00 C ATOM 2000 NH1 ARG A 129 5.249 -6.086 9.312 1.00 0.00 N ATOM 2001 NH2 ARG A 129 3.945 -4.243 9.725 1.00 0.00 N ATOM 0 H ARG A 129 5.353 -1.466 6.439 1.00 0.00 H new ATOM 0 HA ARG A 129 6.311 -2.256 8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.654 -2.564 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.297 -3.569 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.310 -3.317 5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.667 -4.419 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 129 5.739 -5.626 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.960 -5.520 7.550 1.00 0.00 H new ATOM 0 HE ARG A 129 4.939 -3.376 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.927 -6.578 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.896 -6.523 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.618 -3.314 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.595 -4.684 10.575 1.00 0.00 H new ATOM 2015 N GLY A 130 7.485 0.309 8.662 1.00 0.00 N ATOM 2016 CA GLY A 130 8.286 1.283 9.380 1.00 0.00 C ATOM 2017 C GLY A 130 7.471 2.470 9.852 1.00 0.00 C ATOM 2018 O GLY A 130 6.879 2.437 10.931 1.00 0.00 O ATOM 0 H GLY A 130 6.555 0.632 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.753 0.802 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.091 1.633 8.734 1.00 0.00 H new ATOM 2022 N LYS A 131 7.440 3.524 9.044 1.00 0.00 N ATOM 2023 CA LYS A 131 6.691 4.729 9.384 1.00 0.00 C ATOM 2024 C LYS A 131 5.267 4.655 8.843 1.00 0.00 C ATOM 2025 O LYS A 131 4.320 4.423 9.593 1.00 0.00 O ATOM 2026 CB LYS A 131 7.396 5.967 8.826 1.00 0.00 C ATOM 2027 CG LYS A 131 8.509 6.487 9.719 1.00 0.00 C ATOM 2028 CD LYS A 131 7.987 7.494 10.731 1.00 0.00 C ATOM 2029 CE LYS A 131 9.061 7.882 11.735 1.00 0.00 C ATOM 2030 NZ LYS A 131 10.048 8.833 11.153 1.00 0.00 N ATOM 0 H LYS A 131 7.925 3.569 8.148 1.00 0.00 H new ATOM 0 HA LYS A 131 6.645 4.804 10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.809 5.729 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.661 6.758 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.977 5.653 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.281 6.952 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.635 8.385 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.131 7.072 11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.594 8.334 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.579 6.986 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.763 9.073 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.513 8.393 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.558 9.699 10.849 1.00 0.00 H new ATOM 2044 N ASN A 132 5.124 4.853 7.537 1.00 0.00 N ATOM 2045 CA ASN A 132 3.814 4.807 6.896 1.00 0.00 C ATOM 2046 C ASN A 132 3.944 4.957 5.383 1.00 0.00 C ATOM 2047 O ASN A 132 4.913 5.531 4.886 1.00 0.00 O ATOM 2048 CB ASN A 132 2.912 5.910 7.454 1.00 0.00 C ATOM 2049 CG ASN A 132 3.697 7.129 7.899 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.758 7.431 7.353 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.177 7.836 8.895 1.00 0.00 N ATOM 0 H ASN A 132 5.898 5.047 6.902 1.00 0.00 H new ATOM 0 HA ASN A 132 3.365 3.837 7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.189 6.204 6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.344 5.519 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.660 8.667 9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.295 7.548 9.318 1.00 0.00 H new ATOM 2058 N TYR A 133 2.960 4.438 4.657 1.00 0.00 N ATOM 2059 CA TYR A 133 2.964 4.511 3.201 1.00 0.00 C ATOM 2060 C TYR A 133 2.852 5.958 2.728 1.00 0.00 C ATOM 2061 O TYR A 133 1.753 6.494 2.589 1.00 0.00 O ATOM 2062 CB TYR A 133 1.814 3.684 2.624 1.00 0.00 C ATOM 2063 CG TYR A 133 2.148 2.219 2.453 1.00 0.00 C ATOM 2064 CD1 TYR A 133 2.950 1.787 1.404 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.661 1.268 3.340 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.257 0.450 1.243 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.964 -0.072 3.188 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.763 -0.475 2.138 1.00 0.00 C ATOM 2069 OH TYR A 133 3.066 -1.809 1.983 1.00 0.00 O ATOM 0 H TYR A 133 2.149 3.962 5.053 1.00 0.00 H new ATOM 0 HA TYR A 133 3.910 4.103 2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.947 3.776 3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.529 4.098 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.340 2.509 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.035 1.581 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 133 3.880 0.131 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.578 -0.799 3.887 1.00 0.00 H new ATOM 0 HH TYR A 133 2.640 -2.326 2.698 1.00 0.00 H new ATOM 2079 N ARG A 134 3.999 6.584 2.483 1.00 0.00 N ATOM 2080 CA ARG A 134 4.031 7.968 2.027 1.00 0.00 C ATOM 2081 C ARG A 134 3.763 8.053 0.527 1.00 0.00 C ATOM 2082 O ARG A 134 4.491 7.471 -0.278 1.00 0.00 O ATOM 2083 CB ARG A 134 5.385 8.603 2.350 1.00 0.00 C ATOM 2084 CG ARG A 134 5.453 10.087 2.032 1.00 0.00 C ATOM 2085 CD ARG A 134 6.892 10.565 1.911 1.00 0.00 C ATOM 2086 NE ARG A 134 7.025 11.985 2.227 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.173 12.556 2.575 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.281 11.831 2.652 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.214 13.854 2.848 1.00 0.00 N ATOM 0 H ARG A 134 4.918 6.154 2.593 1.00 0.00 H new ATOM 0 HA ARG A 134 3.247 8.514 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.602 8.457 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.163 8.084 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.923 10.285 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.945 10.652 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.525 9.984 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.250 10.384 0.898 1.00 0.00 H new ATOM 0 HE ARG A 134 6.191 12.570 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.253 10.833 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.161 12.272 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.364 14.414 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 134 9.096 14.291 3.115 1.00 0.00 H new ATOM 2103 N ILE A 135 2.713 8.779 0.159 1.00 0.00 N ATOM 2104 CA ILE A 135 2.349 8.940 -1.243 1.00 0.00 C ATOM 2105 C ILE A 135 2.744 10.320 -1.759 1.00 0.00 C ATOM 2106 O ILE A 135 2.100 11.320 -1.440 1.00 0.00 O ATOM 2107 CB ILE A 135 0.838 8.735 -1.460 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.435 7.310 -1.079 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.466 9.028 -2.906 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.061 7.085 -1.079 1.00 0.00 C ATOM 0 H ILE A 135 2.099 9.265 0.813 1.00 0.00 H new ATOM 0 HA ILE A 135 2.894 8.178 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 135 0.296 9.430 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.899 6.611 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.829 7.082 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.605 8.879 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.722 10.060 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.014 8.355 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.274 6.053 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.530 7.759 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.458 7.281 -2.075 1.00 0.00 H new ATOM 2122 N ILE A 136 3.804 10.366 -2.559 1.00 0.00 N ATOM 2123 CA ILE A 136 4.282 11.623 -3.121 1.00 0.00 C ATOM 2124 C ILE A 136 3.702 11.859 -4.512 1.00 0.00 C ATOM 2125 O ILE A 136 2.946 11.035 -5.028 1.00 0.00 O ATOM 2126 CB ILE A 136 5.819 11.653 -3.206 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.324 10.524 -4.106 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.428 11.543 -1.816 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.817 10.564 -4.345 1.00 0.00 C ATOM 0 H ILE A 136 4.348 9.548 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 136 3.948 12.416 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 136 6.126 12.604 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.062 9.567 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.809 10.577 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.515 11.566 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.090 12.379 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 136 6.116 10.606 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.104 9.735 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 136 8.084 11.506 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.340 10.480 -3.393 1.00 0.00 H new ATOM 2141 N ARG A 137 4.063 12.987 -5.113 1.00 0.00 N ATOM 2142 CA ARG A 137 3.579 13.331 -6.445 1.00 0.00 C ATOM 2143 C ARG A 137 4.489 12.747 -7.522 1.00 0.00 C ATOM 2144 O ARG A 137 5.603 12.308 -7.236 1.00 0.00 O ATOM 2145 CB ARG A 137 3.494 14.851 -6.603 1.00 0.00 C ATOM 2146 CG ARG A 137 2.367 15.306 -7.516 1.00 0.00 C ATOM 2147 CD ARG A 137 1.871 16.693 -7.138 1.00 0.00 C ATOM 2148 NE ARG A 137 0.904 16.650 -6.045 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.229 16.826 -4.769 1.00 0.00 C ATOM 2150 NH1 ARG A 137 2.489 17.055 -4.428 1.00 0.00 N ATOM 2151 NH2 ARG A 137 0.292 16.772 -3.831 1.00 0.00 N ATOM 0 H ARG A 137 4.689 13.678 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 137 2.583 12.904 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.359 15.303 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.441 15.220 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.714 15.311 -8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.542 14.595 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 137 2.718 17.314 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.414 17.164 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.075 16.475 -6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 137 3.212 17.097 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.736 17.190 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.679 16.595 -4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.543 16.907 -2.852 1.00 0.00 H new ATOM 2165 N ALA A 138 4.006 12.745 -8.760 1.00 0.00 N ATOM 2166 CA ALA A 138 4.776 12.216 -9.879 1.00 0.00 C ATOM 2167 C ALA A 138 5.881 13.183 -10.291 1.00 0.00 C ATOM 2168 O ALA A 138 6.976 12.765 -10.665 1.00 0.00 O ATOM 2169 CB ALA A 138 3.860 11.924 -11.059 1.00 0.00 C ATOM 0 H ALA A 138 3.085 13.104 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 138 5.245 11.286 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.448 11.530 -11.887 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.110 11.190 -10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.365 12.843 -11.371 1.00 0.00 H new ATOM 2175 N GLU A 139 5.585 14.477 -10.219 1.00 0.00 N ATOM 2176 CA GLU A 139 6.554 15.503 -10.587 1.00 0.00 C ATOM 2177 C GLU A 139 7.704 15.549 -9.584 1.00 0.00 C ATOM 2178 O GLU A 139 8.847 15.834 -9.945 1.00 0.00 O ATOM 2179 CB GLU A 139 5.876 16.872 -10.666 1.00 0.00 C ATOM 2180 CG GLU A 139 5.257 17.321 -9.353 1.00 0.00 C ATOM 2181 CD GLU A 139 4.705 18.732 -9.420 1.00 0.00 C ATOM 2182 OE1 GLU A 139 5.367 19.601 -10.025 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.609 18.966 -8.869 1.00 0.00 O ATOM 0 H GLU A 139 4.683 14.839 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 139 6.959 15.250 -11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.609 17.613 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.101 16.841 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.456 16.634 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 139 6.007 17.266 -8.564 1.00 0.00 H new