USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 920 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 94 LYS NZ :NH3+ -177:sc= -0.398 (180deg=-0.4) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0.196 K(o=1.1,f=0.29) USER MOD Set 1.3: A 111 ASN :FLIP amide:sc= 1.35 F(o=0.29,f=1.1) USER MOD Set 2.1: A 60 ASN : amide:sc= -3 K(o=-2.9,f=-16!) USER MOD Set 2.2: A 62 THR OG1 : rot 41:sc= 0.0724 USER MOD Set 3.1: A 36 MET CE :methyl 178:sc= -1.76 (180deg=-0.299) USER MOD Set 3.2: A 41 GLN : amide:sc= -1.63 K(o=-3.9,f=-9) USER MOD Set 3.3: A 51 MET CE :methyl -147:sc= -0.553 (180deg=-0.903) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -2.15! (180deg=-3.91!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -74:sc= 0.207 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 66:sc= 0.0609 USER MOD Single : A 42 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.31! X(o=-1.3!,f=-0.82) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.0125 (180deg=-0.192) USER MOD Single : A 97 ASN : amide:sc= -1.99 K(o=-2,f=-6.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -167:sc=-0.00248 (180deg=-0.184) USER MOD Single : A 110 THR OG1 : rot 80:sc= 0.233 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -117:sc= -2.75! (180deg=-3.92!) USER MOD Single : A 135 GLN : amide:sc= 0.106 X(o=0.11,f=-0.014) USER MOD Single : A 137 ASN : amide:sc= -4.36! C(o=-4.4!,f=-6.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.11) USER MOD Single : A 144 MET CE :methyl 177:sc= 0 (180deg=-0.00845) USER MOD Single : A 145 MET CE :methyl -173:sc= 0 (180deg=-0.0546) USER MOD Single : A 146 THR OG1 : rot -69:sc= 0.0309 USER MOD ----------------------------------------------------------------- ATOM 120 N ILE A 9 11.645 26.125 7.767 1.00 0.00 N ATOM 121 CA ILE A 9 10.540 25.885 8.687 1.00 0.00 C ATOM 122 C ILE A 9 9.256 26.538 8.186 1.00 0.00 C ATOM 123 O ILE A 9 8.181 25.941 8.242 1.00 0.00 O ATOM 124 CB ILE A 9 10.856 26.416 10.098 1.00 0.00 C ATOM 125 CG1 ILE A 9 11.952 25.571 10.751 1.00 0.00 C ATOM 126 CG2 ILE A 9 9.600 26.420 10.956 1.00 0.00 C ATOM 127 CD1 ILE A 9 13.352 26.040 10.423 1.00 0.00 C ATOM 0 HA ILE A 9 10.400 24.805 8.737 1.00 0.00 H new ATOM 0 HB ILE A 9 11.217 27.441 10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.816 25.587 11.832 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.840 24.535 10.431 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.840 26.798 11.950 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.847 27.060 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.212 25.405 11.038 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.077 25.395 10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.507 25.998 9.345 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.482 27.066 10.768 1.00 0.00 H new ATOM 139 N ALA A 10 9.377 27.767 7.695 1.00 0.00 N ATOM 140 CA ALA A 10 8.227 28.500 7.180 1.00 0.00 C ATOM 141 C ALA A 10 7.593 27.769 6.002 1.00 0.00 C ATOM 142 O ALA A 10 6.380 27.564 5.967 1.00 0.00 O ATOM 143 CB ALA A 10 8.637 29.907 6.772 1.00 0.00 C ATOM 0 H ALA A 10 10.260 28.276 7.643 1.00 0.00 H new ATOM 0 HA ALA A 10 7.484 28.566 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.768 30.443 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.036 30.435 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.401 29.853 5.996 1.00 0.00 H new ATOM 149 N GLU A 11 8.421 27.380 5.037 1.00 0.00 N ATOM 150 CA GLU A 11 7.939 26.673 3.856 1.00 0.00 C ATOM 151 C GLU A 11 7.219 25.386 4.249 1.00 0.00 C ATOM 152 O GLU A 11 6.169 25.056 3.696 1.00 0.00 O ATOM 153 CB GLU A 11 9.103 26.353 2.916 1.00 0.00 C ATOM 154 CG GLU A 11 9.539 27.533 2.064 1.00 0.00 C ATOM 155 CD GLU A 11 8.625 27.766 0.878 1.00 0.00 C ATOM 156 OE1 GLU A 11 8.815 27.098 -0.160 1.00 0.00 O ATOM 157 OE2 GLU A 11 7.717 28.618 0.987 1.00 0.00 O ATOM 0 H GLU A 11 9.428 27.542 5.050 1.00 0.00 H new ATOM 0 HA GLU A 11 7.232 27.321 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.952 26.009 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.815 25.530 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.564 28.432 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.555 27.363 1.707 1.00 0.00 H new ATOM 164 N PHE A 12 7.792 24.663 5.206 1.00 0.00 N ATOM 165 CA PHE A 12 7.206 23.411 5.671 1.00 0.00 C ATOM 166 C PHE A 12 5.982 23.674 6.544 1.00 0.00 C ATOM 167 O PHE A 12 5.147 22.793 6.744 1.00 0.00 O ATOM 168 CB PHE A 12 8.240 22.601 6.455 1.00 0.00 C ATOM 169 CG PHE A 12 9.269 21.938 5.584 1.00 0.00 C ATOM 170 CD1 PHE A 12 9.049 20.669 5.072 1.00 0.00 C ATOM 171 CD2 PHE A 12 10.455 22.585 5.275 1.00 0.00 C ATOM 172 CE1 PHE A 12 9.994 20.057 4.271 1.00 0.00 C ATOM 173 CE2 PHE A 12 11.404 21.978 4.474 1.00 0.00 C ATOM 174 CZ PHE A 12 11.172 20.713 3.970 1.00 0.00 C ATOM 0 H PHE A 12 8.660 24.922 5.674 1.00 0.00 H new ATOM 0 HA PHE A 12 6.891 22.839 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.744 23.259 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.725 21.839 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.129 20.153 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.640 23.575 5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.812 19.067 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 12 12.325 22.492 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.910 20.237 3.342 1.00 0.00 H new ATOM 184 N LYS A 13 5.883 24.894 7.061 1.00 0.00 N ATOM 185 CA LYS A 13 4.762 25.277 7.911 1.00 0.00 C ATOM 186 C LYS A 13 3.514 25.547 7.077 1.00 0.00 C ATOM 187 O LYS A 13 2.497 24.871 7.229 1.00 0.00 O ATOM 188 CB LYS A 13 5.119 26.518 8.733 1.00 0.00 C ATOM 189 CG LYS A 13 4.235 26.714 9.953 1.00 0.00 C ATOM 190 CD LYS A 13 4.983 27.411 11.076 1.00 0.00 C ATOM 191 CE LYS A 13 5.299 28.857 10.723 1.00 0.00 C ATOM 192 NZ LYS A 13 6.628 28.988 10.063 1.00 0.00 N ATOM 0 H LYS A 13 6.566 25.635 6.906 1.00 0.00 H new ATOM 0 HA LYS A 13 4.552 24.449 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.158 26.444 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.045 27.399 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.359 27.302 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.873 25.746 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.385 27.380 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.909 26.876 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.525 29.247 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.281 29.464 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.276 29.509 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.016 28.042 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.521 29.505 9.167 1.00 0.00 H new ATOM 206 N GLU A 14 3.600 26.539 6.197 1.00 0.00 N ATOM 207 CA GLU A 14 2.476 26.898 5.339 1.00 0.00 C ATOM 208 C GLU A 14 1.840 25.653 4.727 1.00 0.00 C ATOM 209 O GLU A 14 0.625 25.469 4.789 1.00 0.00 O ATOM 210 CB GLU A 14 2.935 27.847 4.230 1.00 0.00 C ATOM 211 CG GLU A 14 4.039 28.798 4.660 1.00 0.00 C ATOM 212 CD GLU A 14 3.975 30.130 3.939 1.00 0.00 C ATOM 213 OE1 GLU A 14 2.881 30.495 3.461 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.021 30.808 3.853 1.00 0.00 O ATOM 0 H GLU A 14 4.435 27.108 6.059 1.00 0.00 H new ATOM 0 HA GLU A 14 1.730 27.402 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.284 27.259 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.080 28.429 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.970 28.967 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.007 28.334 4.472 1.00 0.00 H new ATOM 221 N ALA A 15 2.671 24.801 4.136 1.00 0.00 N ATOM 222 CA ALA A 15 2.191 23.573 3.514 1.00 0.00 C ATOM 223 C ALA A 15 1.498 22.676 4.534 1.00 0.00 C ATOM 224 O ALA A 15 0.654 21.852 4.179 1.00 0.00 O ATOM 225 CB ALA A 15 3.344 22.831 2.853 1.00 0.00 C ATOM 0 H ALA A 15 3.680 24.938 4.075 1.00 0.00 H new ATOM 0 HA ALA A 15 1.461 23.842 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.971 21.916 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.794 23.465 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.093 22.580 3.604 1.00 0.00 H new ATOM 231 N PHE A 16 1.859 22.840 5.802 1.00 0.00 N ATOM 232 CA PHE A 16 1.272 22.044 6.874 1.00 0.00 C ATOM 233 C PHE A 16 0.149 22.809 7.567 1.00 0.00 C ATOM 234 O PHE A 16 -0.532 22.275 8.443 1.00 0.00 O ATOM 235 CB PHE A 16 2.344 21.653 7.893 1.00 0.00 C ATOM 236 CG PHE A 16 1.821 20.808 9.019 1.00 0.00 C ATOM 237 CD1 PHE A 16 1.732 19.431 8.886 1.00 0.00 C ATOM 238 CD2 PHE A 16 1.418 21.389 10.211 1.00 0.00 C ATOM 239 CE1 PHE A 16 1.250 18.651 9.920 1.00 0.00 C ATOM 240 CE2 PHE A 16 0.936 20.614 11.248 1.00 0.00 C ATOM 241 CZ PHE A 16 0.853 19.243 11.103 1.00 0.00 C ATOM 0 H PHE A 16 2.556 23.517 6.113 1.00 0.00 H new ATOM 0 HA PHE A 16 0.853 21.139 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.139 21.111 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.789 22.558 8.305 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.043 18.962 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.482 22.460 10.331 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.184 17.579 9.803 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.624 21.080 12.171 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.478 18.635 11.913 1.00 0.00 H new ATOM 251 N SER A 17 -0.038 24.063 7.169 1.00 0.00 N ATOM 252 CA SER A 17 -1.075 24.904 7.755 1.00 0.00 C ATOM 253 C SER A 17 -2.378 24.787 6.969 1.00 0.00 C ATOM 254 O SER A 17 -3.468 24.878 7.534 1.00 0.00 O ATOM 255 CB SER A 17 -0.618 26.364 7.792 1.00 0.00 C ATOM 256 OG SER A 17 0.060 26.656 9.002 1.00 0.00 O ATOM 0 H SER A 17 0.515 24.519 6.443 1.00 0.00 H new ATOM 0 HA SER A 17 -1.253 24.561 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.039 26.564 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.481 27.021 7.687 1.00 0.00 H new ATOM 0 HG SER A 17 0.343 27.594 9.000 1.00 0.00 H new ATOM 262 N LEU A 18 -2.256 24.585 5.662 1.00 0.00 N ATOM 263 CA LEU A 18 -3.423 24.455 4.796 1.00 0.00 C ATOM 264 C LEU A 18 -4.066 23.080 4.951 1.00 0.00 C ATOM 265 O LEU A 18 -5.287 22.943 4.878 1.00 0.00 O ATOM 266 CB LEU A 18 -3.027 24.684 3.336 1.00 0.00 C ATOM 267 CG LEU A 18 -2.498 23.462 2.585 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.846 23.551 1.107 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.993 23.330 2.773 1.00 0.00 C ATOM 0 H LEU A 18 -1.361 24.508 5.178 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.150 25.211 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.896 25.067 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.265 25.463 3.305 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.975 22.573 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.461 22.672 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.929 23.596 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.398 24.449 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.634 22.455 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.499 24.222 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.767 23.218 3.833 1.00 0.00 H new ATOM 281 N PHE A 19 -3.235 22.065 5.167 1.00 0.00 N ATOM 282 CA PHE A 19 -3.723 20.701 5.334 1.00 0.00 C ATOM 283 C PHE A 19 -4.526 20.565 6.624 1.00 0.00 C ATOM 284 O PHE A 19 -5.621 20.001 6.630 1.00 0.00 O ATOM 285 CB PHE A 19 -2.552 19.716 5.342 1.00 0.00 C ATOM 286 CG PHE A 19 -2.205 19.186 3.980 1.00 0.00 C ATOM 287 CD1 PHE A 19 -3.171 18.580 3.192 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.914 19.292 3.488 1.00 0.00 C ATOM 289 CE1 PHE A 19 -2.855 18.091 1.938 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.593 18.806 2.235 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.565 18.203 1.460 1.00 0.00 C ATOM 0 H PHE A 19 -2.222 22.161 5.230 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.378 20.470 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.676 20.208 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.796 18.880 5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.182 18.489 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.150 19.760 4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.617 17.622 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.416 18.897 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.316 17.820 0.482 1.00 0.00 H new ATOM 301 N ASP A 20 -3.974 21.083 7.715 1.00 0.00 N ATOM 302 CA ASP A 20 -4.638 21.021 9.012 1.00 0.00 C ATOM 303 C ASP A 20 -5.811 21.994 9.069 1.00 0.00 C ATOM 304 O ASP A 20 -5.646 23.163 9.415 1.00 0.00 O ATOM 305 CB ASP A 20 -3.645 21.333 10.133 1.00 0.00 C ATOM 306 CG ASP A 20 -4.089 20.776 11.471 1.00 0.00 C ATOM 307 OD1 ASP A 20 -4.801 21.494 12.205 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.726 19.624 11.784 1.00 0.00 O ATOM 0 H ASP A 20 -3.068 21.551 7.727 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.021 20.010 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.670 20.919 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.522 22.413 10.215 1.00 0.00 H new ATOM 313 N LYS A 21 -6.997 21.503 8.727 1.00 0.00 N ATOM 314 CA LYS A 21 -8.200 22.327 8.739 1.00 0.00 C ATOM 315 C LYS A 21 -8.730 22.495 10.160 1.00 0.00 C ATOM 316 O LYS A 21 -9.075 23.600 10.577 1.00 0.00 O ATOM 317 CB LYS A 21 -9.279 21.705 7.851 1.00 0.00 C ATOM 318 CG LYS A 21 -8.856 21.546 6.401 1.00 0.00 C ATOM 319 CD LYS A 21 -8.834 22.881 5.676 1.00 0.00 C ATOM 320 CE LYS A 21 -9.076 22.710 4.184 1.00 0.00 C ATOM 321 NZ LYS A 21 -8.521 23.847 3.399 1.00 0.00 N ATOM 0 H LYS A 21 -7.151 20.537 8.438 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.940 23.311 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.548 20.728 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.175 22.325 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.866 21.091 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.541 20.867 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.596 23.537 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.872 23.367 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.621 21.779 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.147 22.627 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.706 23.693 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.974 24.733 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.495 23.910 3.558 1.00 0.00 H new ATOM 335 N ASP A 22 -8.791 21.392 10.897 1.00 0.00 N ATOM 336 CA ASP A 22 -9.277 21.417 12.272 1.00 0.00 C ATOM 337 C ASP A 22 -8.452 22.379 13.122 1.00 0.00 C ATOM 338 O ASP A 22 -8.999 23.169 13.890 1.00 0.00 O ATOM 339 CB ASP A 22 -9.230 20.014 12.878 1.00 0.00 C ATOM 340 CG ASP A 22 -8.046 19.208 12.382 1.00 0.00 C ATOM 341 OD1 ASP A 22 -6.961 19.798 12.198 1.00 0.00 O ATOM 342 OD2 ASP A 22 -8.204 17.986 12.178 1.00 0.00 O ATOM 0 H ASP A 22 -8.510 20.469 10.566 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.310 21.765 12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.183 20.092 13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.152 19.486 12.636 1.00 0.00 H new ATOM 347 N GLY A 23 -7.132 22.305 12.979 1.00 0.00 N ATOM 348 CA GLY A 23 -6.254 23.174 13.740 1.00 0.00 C ATOM 349 C GLY A 23 -5.791 22.538 15.036 1.00 0.00 C ATOM 350 O GLY A 23 -5.841 23.164 16.095 1.00 0.00 O ATOM 0 H GLY A 23 -6.655 21.659 12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.385 23.429 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.773 24.106 13.961 1.00 0.00 H new ATOM 354 N ASP A 24 -5.341 21.291 14.953 1.00 0.00 N ATOM 355 CA ASP A 24 -4.867 20.570 16.129 1.00 0.00 C ATOM 356 C ASP A 24 -3.365 20.318 16.044 1.00 0.00 C ATOM 357 O ASP A 24 -2.627 20.578 16.993 1.00 0.00 O ATOM 358 CB ASP A 24 -5.612 19.241 16.273 1.00 0.00 C ATOM 359 CG ASP A 24 -5.967 18.629 14.932 1.00 0.00 C ATOM 360 OD1 ASP A 24 -5.085 18.581 14.050 1.00 0.00 O ATOM 361 OD2 ASP A 24 -7.128 18.198 14.765 1.00 0.00 O ATOM 0 H ASP A 24 -5.294 20.758 14.084 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.065 21.186 17.006 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.995 18.541 16.837 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.523 19.399 16.850 1.00 0.00 H new ATOM 366 N GLY A 25 -2.919 19.809 14.899 1.00 0.00 N ATOM 367 CA GLY A 25 -1.508 19.529 14.711 1.00 0.00 C ATOM 368 C GLY A 25 -1.261 18.145 14.145 1.00 0.00 C ATOM 369 O GLY A 25 -0.264 17.500 14.472 1.00 0.00 O ATOM 0 H GLY A 25 -3.510 19.586 14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.079 20.274 14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.992 19.625 15.666 1.00 0.00 H new ATOM 373 N THR A 26 -2.173 17.684 13.294 1.00 0.00 N ATOM 374 CA THR A 26 -2.051 16.366 12.684 1.00 0.00 C ATOM 375 C THR A 26 -2.835 16.291 11.379 1.00 0.00 C ATOM 376 O THR A 26 -3.962 16.780 11.291 1.00 0.00 O ATOM 377 CB THR A 26 -2.548 15.259 13.633 1.00 0.00 C ATOM 378 OG1 THR A 26 -3.928 15.470 13.950 1.00 0.00 O ATOM 379 CG2 THR A 26 -1.726 15.235 14.912 1.00 0.00 C ATOM 0 H THR A 26 -3.004 18.204 13.012 1.00 0.00 H new ATOM 0 HA THR A 26 -0.992 16.209 12.479 1.00 0.00 H new ATOM 0 HB THR A 26 -2.434 14.299 13.129 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.237 14.762 14.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.095 14.446 15.567 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.680 15.046 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.813 16.196 15.418 1.00 0.00 H new ATOM 387 N ILE A 27 -2.233 15.674 10.367 1.00 0.00 N ATOM 388 CA ILE A 27 -2.877 15.534 9.067 1.00 0.00 C ATOM 389 C ILE A 27 -3.522 14.160 8.919 1.00 0.00 C ATOM 390 O ILE A 27 -2.931 13.241 8.350 1.00 0.00 O ATOM 391 CB ILE A 27 -1.874 15.744 7.917 1.00 0.00 C ATOM 392 CG1 ILE A 27 -1.247 17.137 8.007 1.00 0.00 C ATOM 393 CG2 ILE A 27 -2.562 15.553 6.573 1.00 0.00 C ATOM 394 CD1 ILE A 27 -0.130 17.362 7.011 1.00 0.00 C ATOM 0 H ILE A 27 -1.301 15.264 10.423 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.648 16.303 9.011 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.080 15.002 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.022 17.887 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.860 17.288 9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.841 15.705 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.966 14.543 6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.373 16.275 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.268 18.370 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.664 16.635 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.516 17.243 5.999 1.00 0.00 H new ATOM 406 N THR A 28 -4.741 14.026 9.433 1.00 0.00 N ATOM 407 CA THR A 28 -5.468 12.765 9.358 1.00 0.00 C ATOM 408 C THR A 28 -6.187 12.624 8.022 1.00 0.00 C ATOM 409 O THR A 28 -6.479 13.617 7.353 1.00 0.00 O ATOM 410 CB THR A 28 -6.496 12.641 10.498 1.00 0.00 C ATOM 411 OG1 THR A 28 -7.565 13.572 10.297 1.00 0.00 O ATOM 412 CG2 THR A 28 -5.842 12.895 11.847 1.00 0.00 C ATOM 0 H THR A 28 -5.245 14.776 9.906 1.00 0.00 H new ATOM 0 HA THR A 28 -4.731 11.968 9.456 1.00 0.00 H new ATOM 0 HB THR A 28 -6.893 11.626 10.491 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.252 14.478 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.588 12.802 12.636 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.048 12.166 12.010 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.420 13.900 11.863 1.00 0.00 H new ATOM 420 N THR A 29 -6.473 11.384 7.636 1.00 0.00 N ATOM 421 CA THR A 29 -7.158 11.113 6.379 1.00 0.00 C ATOM 422 C THR A 29 -8.271 12.125 6.130 1.00 0.00 C ATOM 423 O THR A 29 -8.579 12.457 4.985 1.00 0.00 O ATOM 424 CB THR A 29 -7.757 9.694 6.360 1.00 0.00 C ATOM 425 OG1 THR A 29 -8.747 9.566 7.387 1.00 0.00 O ATOM 426 CG2 THR A 29 -6.673 8.646 6.560 1.00 0.00 C ATOM 0 H THR A 29 -6.240 10.551 8.177 1.00 0.00 H new ATOM 0 HA THR A 29 -6.412 11.195 5.589 1.00 0.00 H new ATOM 0 HB THR A 29 -8.221 9.533 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.124 8.662 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.120 7.652 6.543 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.937 8.727 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.184 8.807 7.521 1.00 0.00 H new ATOM 434 N LYS A 30 -8.871 12.615 7.210 1.00 0.00 N ATOM 435 CA LYS A 30 -9.949 13.592 7.110 1.00 0.00 C ATOM 436 C LYS A 30 -9.426 14.928 6.593 1.00 0.00 C ATOM 437 O LYS A 30 -10.066 15.577 5.766 1.00 0.00 O ATOM 438 CB LYS A 30 -10.617 13.786 8.473 1.00 0.00 C ATOM 439 CG LYS A 30 -11.604 14.940 8.507 1.00 0.00 C ATOM 440 CD LYS A 30 -12.636 14.758 9.608 1.00 0.00 C ATOM 441 CE LYS A 30 -12.175 15.387 10.914 1.00 0.00 C ATOM 442 NZ LYS A 30 -13.030 14.974 12.061 1.00 0.00 N ATOM 0 H LYS A 30 -8.629 12.351 8.165 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.686 13.212 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.135 12.867 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.847 13.955 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.066 15.875 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.108 15.018 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.581 15.207 9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.823 13.695 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.142 15.101 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.193 16.473 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.683 15.424 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.012 15.269 11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.993 13.940 12.167 1.00 0.00 H new ATOM 456 N GLU A 31 -8.259 15.332 7.084 1.00 0.00 N ATOM 457 CA GLU A 31 -7.651 16.591 6.670 1.00 0.00 C ATOM 458 C GLU A 31 -6.914 16.429 5.343 1.00 0.00 C ATOM 459 O GLU A 31 -6.926 17.327 4.500 1.00 0.00 O ATOM 460 CB GLU A 31 -6.684 17.093 7.744 1.00 0.00 C ATOM 461 CG GLU A 31 -7.378 17.700 8.952 1.00 0.00 C ATOM 462 CD GLU A 31 -6.567 17.556 10.225 1.00 0.00 C ATOM 463 OE1 GLU A 31 -6.713 16.520 10.908 1.00 0.00 O ATOM 464 OE2 GLU A 31 -5.786 18.479 10.538 1.00 0.00 O ATOM 0 H GLU A 31 -7.716 14.806 7.769 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.448 17.323 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.058 16.264 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.021 17.838 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.568 18.757 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.348 17.221 9.088 1.00 0.00 H new ATOM 471 N LEU A 32 -6.275 15.278 5.165 1.00 0.00 N ATOM 472 CA LEU A 32 -5.532 14.997 3.942 1.00 0.00 C ATOM 473 C LEU A 32 -6.480 14.689 2.787 1.00 0.00 C ATOM 474 O LEU A 32 -6.387 15.289 1.717 1.00 0.00 O ATOM 475 CB LEU A 32 -4.577 13.822 4.160 1.00 0.00 C ATOM 476 CG LEU A 32 -3.690 13.449 2.971 1.00 0.00 C ATOM 477 CD1 LEU A 32 -2.708 14.570 2.665 1.00 0.00 C ATOM 478 CD2 LEU A 32 -2.948 12.149 3.247 1.00 0.00 C ATOM 0 H LEU A 32 -6.257 14.524 5.852 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.953 15.885 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.934 14.055 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.166 12.948 4.437 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.327 13.303 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.085 14.287 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.258 15.480 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.076 14.748 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.322 11.899 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.322 12.268 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.668 11.348 3.417 1.00 0.00 H new ATOM 490 N GLY A 33 -7.395 13.751 3.014 1.00 0.00 N ATOM 491 CA GLY A 33 -8.348 13.381 1.984 1.00 0.00 C ATOM 492 C GLY A 33 -9.201 14.551 1.536 1.00 0.00 C ATOM 493 O GLY A 33 -9.857 14.490 0.496 1.00 0.00 O ATOM 0 H GLY A 33 -7.493 13.241 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.812 12.977 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.994 12.587 2.359 1.00 0.00 H new ATOM 497 N THR A 34 -9.194 15.623 2.324 1.00 0.00 N ATOM 498 CA THR A 34 -9.974 16.811 2.004 1.00 0.00 C ATOM 499 C THR A 34 -9.274 17.661 0.950 1.00 0.00 C ATOM 500 O THR A 34 -9.922 18.361 0.171 1.00 0.00 O ATOM 501 CB THR A 34 -10.225 17.672 3.256 1.00 0.00 C ATOM 502 OG1 THR A 34 -11.497 18.324 3.156 1.00 0.00 O ATOM 503 CG2 THR A 34 -9.129 18.712 3.428 1.00 0.00 C ATOM 0 H THR A 34 -8.656 15.692 3.188 1.00 0.00 H new ATOM 0 HA THR A 34 -10.930 16.465 1.612 1.00 0.00 H new ATOM 0 HB THR A 34 -10.220 17.016 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.650 18.868 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.329 19.307 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.166 18.212 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.105 19.363 2.554 1.00 0.00 H new ATOM 511 N VAL A 35 -7.946 17.596 0.929 1.00 0.00 N ATOM 512 CA VAL A 35 -7.158 18.358 -0.031 1.00 0.00 C ATOM 513 C VAL A 35 -6.772 17.500 -1.230 1.00 0.00 C ATOM 514 O VAL A 35 -6.649 17.998 -2.349 1.00 0.00 O ATOM 515 CB VAL A 35 -5.879 18.923 0.615 1.00 0.00 C ATOM 516 CG1 VAL A 35 -4.788 19.105 -0.430 1.00 0.00 C ATOM 517 CG2 VAL A 35 -6.175 20.237 1.322 1.00 0.00 C ATOM 0 H VAL A 35 -7.394 17.023 1.567 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.783 19.186 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.522 18.209 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.892 19.505 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.558 18.143 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.132 19.798 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.260 20.622 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.556 20.960 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.921 20.072 2.100 1.00 0.00 H new ATOM 527 N MET A 36 -6.583 16.207 -0.989 1.00 0.00 N ATOM 528 CA MET A 36 -6.213 15.278 -2.050 1.00 0.00 C ATOM 529 C MET A 36 -7.299 15.212 -3.119 1.00 0.00 C ATOM 530 O MET A 36 -7.015 15.315 -4.313 1.00 0.00 O ATOM 531 CB MET A 36 -5.965 13.883 -1.473 1.00 0.00 C ATOM 532 CG MET A 36 -4.898 13.854 -0.391 1.00 0.00 C ATOM 533 SD MET A 36 -3.239 13.618 -1.057 1.00 0.00 S ATOM 534 CE MET A 36 -3.286 11.876 -1.472 1.00 0.00 C ATOM 0 H MET A 36 -6.680 15.779 -0.068 1.00 0.00 H new ATOM 0 HA MET A 36 -5.295 15.641 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.898 13.498 -1.062 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.671 13.212 -2.280 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.930 14.788 0.171 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.121 13.051 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.340 11.585 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.446 11.290 -0.567 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.100 11.691 -2.173 1.00 0.00 H new ATOM 544 N ARG A 37 -8.542 15.041 -2.683 1.00 0.00 N ATOM 545 CA ARG A 37 -9.670 14.960 -3.603 1.00 0.00 C ATOM 546 C ARG A 37 -9.832 16.263 -4.381 1.00 0.00 C ATOM 547 O ARG A 37 -10.433 16.287 -5.454 1.00 0.00 O ATOM 548 CB ARG A 37 -10.958 14.647 -2.839 1.00 0.00 C ATOM 549 CG ARG A 37 -11.233 15.604 -1.691 1.00 0.00 C ATOM 550 CD ARG A 37 -11.850 16.903 -2.183 1.00 0.00 C ATOM 551 NE ARG A 37 -12.747 17.493 -1.194 1.00 0.00 N ATOM 552 CZ ARG A 37 -13.985 17.065 -0.976 1.00 0.00 C ATOM 553 NH1 ARG A 37 -14.470 16.048 -1.675 1.00 0.00 N ATOM 554 NH2 ARG A 37 -14.740 17.653 -0.058 1.00 0.00 N ATOM 0 H ARG A 37 -8.794 14.956 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.471 14.156 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.798 14.675 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.901 13.631 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.904 15.130 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.303 15.818 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.058 17.612 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.400 16.716 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.404 18.277 -0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.892 15.593 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.421 15.721 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.370 18.435 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.691 17.323 0.108 1.00 0.00 H new ATOM 568 N SER A 38 -9.291 17.346 -3.830 1.00 0.00 N ATOM 569 CA SER A 38 -9.379 18.653 -4.469 1.00 0.00 C ATOM 570 C SER A 38 -8.582 18.677 -5.771 1.00 0.00 C ATOM 571 O SER A 38 -8.996 19.292 -6.754 1.00 0.00 O ATOM 572 CB SER A 38 -8.866 19.742 -3.525 1.00 0.00 C ATOM 573 OG SER A 38 -9.488 19.650 -2.255 1.00 0.00 O ATOM 0 H SER A 38 -8.788 17.343 -2.943 1.00 0.00 H new ATOM 0 HA SER A 38 -10.427 18.846 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.786 19.650 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.059 20.724 -3.958 1.00 0.00 H new ATOM 0 HG SER A 38 -9.222 18.813 -1.820 1.00 0.00 H new ATOM 579 N LEU A 39 -7.438 18.002 -5.769 1.00 0.00 N ATOM 580 CA LEU A 39 -6.582 17.943 -6.948 1.00 0.00 C ATOM 581 C LEU A 39 -7.115 16.932 -7.958 1.00 0.00 C ATOM 582 O LEU A 39 -6.969 17.111 -9.167 1.00 0.00 O ATOM 583 CB LEU A 39 -5.152 17.576 -6.547 1.00 0.00 C ATOM 584 CG LEU A 39 -4.351 18.670 -5.842 1.00 0.00 C ATOM 585 CD1 LEU A 39 -3.001 18.136 -5.389 1.00 0.00 C ATOM 586 CD2 LEU A 39 -4.170 19.873 -6.757 1.00 0.00 C ATOM 0 H LEU A 39 -7.082 17.488 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.580 18.928 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.192 16.704 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.610 17.277 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.907 18.989 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.445 18.929 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.151 17.307 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.438 17.789 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.597 20.642 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.636 19.568 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.147 20.271 -7.032 1.00 0.00 H new ATOM 598 N GLY A 40 -7.736 15.870 -7.454 1.00 0.00 N ATOM 599 CA GLY A 40 -8.283 14.847 -8.326 1.00 0.00 C ATOM 600 C GLY A 40 -7.819 13.455 -7.949 1.00 0.00 C ATOM 601 O GLY A 40 -7.738 12.570 -8.800 1.00 0.00 O ATOM 0 H GLY A 40 -7.870 15.700 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.372 14.886 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.992 15.057 -9.355 1.00 0.00 H new ATOM 605 N GLN A 41 -7.511 13.261 -6.670 1.00 0.00 N ATOM 606 CA GLN A 41 -7.050 11.966 -6.184 1.00 0.00 C ATOM 607 C GLN A 41 -8.209 11.154 -5.616 1.00 0.00 C ATOM 608 O GLN A 41 -8.639 10.167 -6.212 1.00 0.00 O ATOM 609 CB GLN A 41 -5.971 12.154 -5.116 1.00 0.00 C ATOM 610 CG GLN A 41 -4.784 12.977 -5.588 1.00 0.00 C ATOM 611 CD GLN A 41 -3.639 12.975 -4.594 1.00 0.00 C ATOM 612 OE1 GLN A 41 -3.059 11.929 -4.301 1.00 0.00 O ATOM 613 NE2 GLN A 41 -3.308 14.149 -4.069 1.00 0.00 N ATOM 0 H GLN A 41 -7.572 13.984 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.626 11.419 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.414 12.637 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.618 11.175 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.432 12.585 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.106 14.004 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.816 14.991 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.546 14.209 -3.394 1.00 0.00 H new ATOM 622 N ASN A 42 -8.710 11.576 -4.459 1.00 0.00 N ATOM 623 CA ASN A 42 -9.819 10.886 -3.810 1.00 0.00 C ATOM 624 C ASN A 42 -9.439 9.450 -3.464 1.00 0.00 C ATOM 625 O ASN A 42 -10.136 8.496 -3.811 1.00 0.00 O ATOM 626 CB ASN A 42 -11.052 10.895 -4.715 1.00 0.00 C ATOM 627 CG ASN A 42 -12.348 10.897 -3.927 1.00 0.00 C ATOM 628 OD1 ASN A 42 -13.209 11.753 -4.128 1.00 0.00 O ATOM 629 ND2 ASN A 42 -12.491 9.934 -3.023 1.00 0.00 N ATOM 0 H ASN A 42 -8.366 12.392 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.051 11.414 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.020 11.774 -5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.027 10.021 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.341 9.884 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.751 9.245 -2.890 1.00 0.00 H new ATOM 636 N PRO A 43 -8.306 9.290 -2.764 1.00 0.00 N ATOM 637 CA PRO A 43 -7.808 7.973 -2.354 1.00 0.00 C ATOM 638 C PRO A 43 -8.679 7.332 -1.279 1.00 0.00 C ATOM 639 O PRO A 43 -9.221 8.019 -0.413 1.00 0.00 O ATOM 640 CB PRO A 43 -6.413 8.278 -1.801 1.00 0.00 C ATOM 641 CG PRO A 43 -6.482 9.700 -1.364 1.00 0.00 C ATOM 642 CD PRO A 43 -7.425 10.381 -2.317 1.00 0.00 C ATOM 0 HA PRO A 43 -7.808 7.262 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.164 7.620 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.645 8.134 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.842 9.776 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.496 10.165 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.987 11.176 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.893 10.836 -3.153 1.00 0.00 H new ATOM 650 N THR A 44 -8.809 6.010 -1.340 1.00 0.00 N ATOM 651 CA THR A 44 -9.615 5.277 -0.373 1.00 0.00 C ATOM 652 C THR A 44 -8.899 5.167 0.969 1.00 0.00 C ATOM 653 O THR A 44 -7.687 5.366 1.053 1.00 0.00 O ATOM 654 CB THR A 44 -9.952 3.862 -0.880 1.00 0.00 C ATOM 655 OG1 THR A 44 -8.746 3.143 -1.161 1.00 0.00 O ATOM 656 CG2 THR A 44 -10.814 3.926 -2.131 1.00 0.00 C ATOM 0 H THR A 44 -8.366 5.426 -2.049 1.00 0.00 H new ATOM 0 HA THR A 44 -10.540 5.838 -0.243 1.00 0.00 H new ATOM 0 HB THR A 44 -10.510 3.344 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.968 2.244 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.039 2.915 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.744 4.448 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.278 4.461 -2.915 1.00 0.00 H new ATOM 664 N GLU A 45 -9.655 4.848 2.014 1.00 0.00 N ATOM 665 CA GLU A 45 -9.091 4.711 3.352 1.00 0.00 C ATOM 666 C GLU A 45 -7.765 3.956 3.308 1.00 0.00 C ATOM 667 O GLU A 45 -6.729 4.476 3.722 1.00 0.00 O ATOM 668 CB GLU A 45 -10.074 3.986 4.273 1.00 0.00 C ATOM 669 CG GLU A 45 -11.092 4.908 4.923 1.00 0.00 C ATOM 670 CD GLU A 45 -11.717 4.302 6.165 1.00 0.00 C ATOM 671 OE1 GLU A 45 -12.118 3.121 6.110 1.00 0.00 O ATOM 672 OE2 GLU A 45 -11.806 5.009 7.190 1.00 0.00 O ATOM 0 H GLU A 45 -10.660 4.679 1.960 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.907 5.711 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.601 3.223 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.515 3.469 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.609 5.849 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.876 5.142 4.203 1.00 0.00 H new ATOM 679 N ALA A 46 -7.808 2.727 2.805 1.00 0.00 N ATOM 680 CA ALA A 46 -6.611 1.901 2.706 1.00 0.00 C ATOM 681 C ALA A 46 -5.440 2.696 2.138 1.00 0.00 C ATOM 682 O ALA A 46 -4.303 2.544 2.582 1.00 0.00 O ATOM 683 CB ALA A 46 -6.886 0.675 1.847 1.00 0.00 C ATOM 0 H ALA A 46 -8.658 2.281 2.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.341 1.575 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.984 0.067 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.687 0.088 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.184 0.991 0.847 1.00 0.00 H new ATOM 689 N GLU A 47 -5.727 3.542 1.154 1.00 0.00 N ATOM 690 CA GLU A 47 -4.696 4.359 0.525 1.00 0.00 C ATOM 691 C GLU A 47 -4.199 5.439 1.481 1.00 0.00 C ATOM 692 O GLU A 47 -3.004 5.534 1.761 1.00 0.00 O ATOM 693 CB GLU A 47 -5.235 5.003 -0.754 1.00 0.00 C ATOM 694 CG GLU A 47 -5.535 4.005 -1.859 1.00 0.00 C ATOM 695 CD GLU A 47 -4.293 3.590 -2.624 1.00 0.00 C ATOM 696 OE1 GLU A 47 -3.549 4.486 -3.077 1.00 0.00 O ATOM 697 OE2 GLU A 47 -4.065 2.371 -2.770 1.00 0.00 O ATOM 0 H GLU A 47 -6.664 3.680 0.775 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.858 3.710 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.145 5.554 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.508 5.729 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.004 3.121 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.255 4.441 -2.552 1.00 0.00 H new ATOM 704 N LEU A 48 -5.125 6.252 1.979 1.00 0.00 N ATOM 705 CA LEU A 48 -4.783 7.326 2.904 1.00 0.00 C ATOM 706 C LEU A 48 -3.967 6.795 4.078 1.00 0.00 C ATOM 707 O LEU A 48 -2.911 7.335 4.407 1.00 0.00 O ATOM 708 CB LEU A 48 -6.052 8.008 3.417 1.00 0.00 C ATOM 709 CG LEU A 48 -6.856 8.797 2.383 1.00 0.00 C ATOM 710 CD1 LEU A 48 -8.300 8.952 2.833 1.00 0.00 C ATOM 711 CD2 LEU A 48 -6.221 10.159 2.140 1.00 0.00 C ATOM 0 H LEU A 48 -6.118 6.187 1.757 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.178 8.056 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.701 7.246 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.775 8.685 4.226 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.848 8.242 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.856 9.516 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.751 7.967 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.330 9.484 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.806 10.707 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.197 10.721 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.204 10.026 1.771 1.00 0.00 H new ATOM 723 N GLN A 49 -4.464 5.733 4.704 1.00 0.00 N ATOM 724 CA GLN A 49 -3.779 5.128 5.841 1.00 0.00 C ATOM 725 C GLN A 49 -2.385 4.651 5.447 1.00 0.00 C ATOM 726 O GLN A 49 -1.416 4.865 6.175 1.00 0.00 O ATOM 727 CB GLN A 49 -4.596 3.956 6.390 1.00 0.00 C ATOM 728 CG GLN A 49 -5.855 4.384 7.125 1.00 0.00 C ATOM 729 CD GLN A 49 -5.585 4.782 8.563 1.00 0.00 C ATOM 730 OE1 GLN A 49 -5.725 3.973 9.480 1.00 0.00 O ATOM 731 NE2 GLN A 49 -5.195 6.035 8.767 1.00 0.00 N ATOM 0 H GLN A 49 -5.337 5.274 4.444 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.677 5.887 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.872 3.299 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.971 3.373 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.310 5.223 6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.577 3.567 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.092 6.672 7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.998 6.360 9.714 1.00 0.00 H new ATOM 740 N ASP A 50 -2.292 4.004 4.290 1.00 0.00 N ATOM 741 CA ASP A 50 -1.016 3.498 3.798 1.00 0.00 C ATOM 742 C ASP A 50 0.001 4.627 3.663 1.00 0.00 C ATOM 743 O ASP A 50 1.162 4.478 4.044 1.00 0.00 O ATOM 744 CB ASP A 50 -1.205 2.801 2.450 1.00 0.00 C ATOM 745 CG ASP A 50 -1.505 1.322 2.599 1.00 0.00 C ATOM 746 OD1 ASP A 50 -0.945 0.694 3.521 1.00 0.00 O ATOM 747 OD2 ASP A 50 -2.300 0.794 1.794 1.00 0.00 O ATOM 0 H ASP A 50 -3.085 3.818 3.676 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.636 2.776 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.019 3.281 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.304 2.927 1.850 1.00 0.00 H new ATOM 752 N MET A 51 -0.443 5.754 3.118 1.00 0.00 N ATOM 753 CA MET A 51 0.429 6.908 2.933 1.00 0.00 C ATOM 754 C MET A 51 0.873 7.475 4.277 1.00 0.00 C ATOM 755 O MET A 51 2.063 7.693 4.507 1.00 0.00 O ATOM 756 CB MET A 51 -0.286 7.990 2.121 1.00 0.00 C ATOM 757 CG MET A 51 -0.529 7.602 0.672 1.00 0.00 C ATOM 758 SD MET A 51 -1.113 8.983 -0.329 1.00 0.00 S ATOM 759 CE MET A 51 -2.880 8.695 -0.307 1.00 0.00 C ATOM 0 H MET A 51 -1.401 5.893 2.797 1.00 0.00 H new ATOM 0 HA MET A 51 1.313 6.579 2.387 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.242 8.215 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.306 8.905 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.395 7.214 0.244 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.261 6.796 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.314 9.021 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.074 7.632 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.330 9.257 0.511 1.00 0.00 H new ATOM 769 N ILE A 52 -0.090 7.712 5.162 1.00 0.00 N ATOM 770 CA ILE A 52 0.203 8.253 6.483 1.00 0.00 C ATOM 771 C ILE A 52 1.048 7.281 7.300 1.00 0.00 C ATOM 772 O ILE A 52 1.884 7.693 8.103 1.00 0.00 O ATOM 773 CB ILE A 52 -1.088 8.572 7.260 1.00 0.00 C ATOM 774 CG1 ILE A 52 -1.996 9.481 6.431 1.00 0.00 C ATOM 775 CG2 ILE A 52 -0.755 9.220 8.596 1.00 0.00 C ATOM 776 CD1 ILE A 52 -3.398 9.604 6.987 1.00 0.00 C ATOM 0 H ILE A 52 -1.080 7.538 4.988 1.00 0.00 H new ATOM 0 HA ILE A 52 0.762 9.176 6.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.619 7.640 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.548 10.473 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.050 9.096 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.677 9.440 9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.143 8.539 9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.206 10.146 8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.986 10.263 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.864 8.619 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.355 10.018 7.994 1.00 0.00 H new ATOM 788 N ASN A 53 0.825 5.988 7.087 1.00 0.00 N ATOM 789 CA ASN A 53 1.567 4.956 7.803 1.00 0.00 C ATOM 790 C ASN A 53 3.054 5.025 7.469 1.00 0.00 C ATOM 791 O ASN A 53 3.903 4.902 8.351 1.00 0.00 O ATOM 792 CB ASN A 53 1.018 3.571 7.455 1.00 0.00 C ATOM 793 CG ASN A 53 -0.087 3.134 8.397 1.00 0.00 C ATOM 794 OD1 ASN A 53 0.146 2.913 9.586 1.00 0.00 O ATOM 795 ND2 ASN A 53 -1.299 3.006 7.868 1.00 0.00 N ATOM 0 H ASN A 53 0.137 5.630 6.425 1.00 0.00 H new ATOM 0 HA ASN A 53 1.445 5.130 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.638 3.580 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.829 2.843 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.082 2.714 8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.446 3.200 6.877 1.00 0.00 H new ATOM 802 N GLU A 54 3.359 5.224 6.191 1.00 0.00 N ATOM 803 CA GLU A 54 4.744 5.309 5.742 1.00 0.00 C ATOM 804 C GLU A 54 5.533 6.300 6.593 1.00 0.00 C ATOM 805 O GLU A 54 6.634 6.000 7.055 1.00 0.00 O ATOM 806 CB GLU A 54 4.801 5.726 4.270 1.00 0.00 C ATOM 807 CG GLU A 54 4.528 4.586 3.304 1.00 0.00 C ATOM 808 CD GLU A 54 5.646 3.561 3.279 1.00 0.00 C ATOM 809 OE1 GLU A 54 5.656 2.672 4.155 1.00 0.00 O ATOM 810 OE2 GLU A 54 6.510 3.649 2.381 1.00 0.00 O ATOM 0 H GLU A 54 2.667 5.329 5.449 1.00 0.00 H new ATOM 0 HA GLU A 54 5.195 4.323 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.074 6.519 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.785 6.144 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.596 4.094 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.388 4.990 2.301 1.00 0.00 H new ATOM 817 N VAL A 55 4.961 7.482 6.797 1.00 0.00 N ATOM 818 CA VAL A 55 5.609 8.518 7.593 1.00 0.00 C ATOM 819 C VAL A 55 5.380 8.289 9.083 1.00 0.00 C ATOM 820 O VAL A 55 6.250 8.575 9.906 1.00 0.00 O ATOM 821 CB VAL A 55 5.095 9.920 7.215 1.00 0.00 C ATOM 822 CG1 VAL A 55 5.384 10.913 8.330 1.00 0.00 C ATOM 823 CG2 VAL A 55 5.718 10.380 5.905 1.00 0.00 C ATOM 0 H VAL A 55 4.050 7.746 6.422 1.00 0.00 H new ATOM 0 HA VAL A 55 6.676 8.461 7.379 1.00 0.00 H new ATOM 0 HB VAL A 55 4.015 9.868 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.014 11.898 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.886 10.589 9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.459 10.965 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.344 11.372 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.802 10.417 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.455 9.681 5.112 1.00 0.00 H new ATOM 833 N ASP A 56 4.204 7.772 9.422 1.00 0.00 N ATOM 834 CA ASP A 56 3.861 7.503 10.814 1.00 0.00 C ATOM 835 C ASP A 56 5.088 7.052 11.599 1.00 0.00 C ATOM 836 O ASP A 56 5.471 5.883 11.554 1.00 0.00 O ATOM 837 CB ASP A 56 2.768 6.437 10.895 1.00 0.00 C ATOM 838 CG ASP A 56 2.236 6.258 12.303 1.00 0.00 C ATOM 839 OD1 ASP A 56 2.002 7.280 12.982 1.00 0.00 O ATOM 840 OD2 ASP A 56 2.054 5.097 12.726 1.00 0.00 O ATOM 0 H ASP A 56 3.473 7.531 8.753 1.00 0.00 H new ATOM 0 HA ASP A 56 3.489 8.428 11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.947 6.711 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.164 5.487 10.536 1.00 0.00 H new ATOM 845 N ALA A 57 5.702 7.987 12.317 1.00 0.00 N ATOM 846 CA ALA A 57 6.886 7.685 13.113 1.00 0.00 C ATOM 847 C ALA A 57 6.501 7.209 14.509 1.00 0.00 C ATOM 848 O ALA A 57 6.825 6.089 14.904 1.00 0.00 O ATOM 849 CB ALA A 57 7.789 8.907 13.199 1.00 0.00 C ATOM 0 H ALA A 57 5.399 8.960 12.364 1.00 0.00 H new ATOM 0 HA ALA A 57 7.430 6.879 12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.669 8.668 13.796 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.100 9.201 12.196 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.246 9.729 13.666 1.00 0.00 H new ATOM 855 N ASP A 58 5.810 8.066 15.252 1.00 0.00 N ATOM 856 CA ASP A 58 5.381 7.732 16.605 1.00 0.00 C ATOM 857 C ASP A 58 4.763 6.338 16.651 1.00 0.00 C ATOM 858 O ASP A 58 5.009 5.570 17.580 1.00 0.00 O ATOM 859 CB ASP A 58 4.376 8.766 17.114 1.00 0.00 C ATOM 860 CG ASP A 58 3.430 9.238 16.027 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.152 8.450 15.100 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.968 10.396 16.104 1.00 0.00 O ATOM 0 H ASP A 58 5.535 8.997 14.940 1.00 0.00 H new ATOM 0 HA ASP A 58 6.259 7.742 17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.799 8.335 17.932 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.914 9.622 17.520 1.00 0.00 H new ATOM 867 N GLY A 59 3.958 6.020 15.642 1.00 0.00 N ATOM 868 CA GLY A 59 3.317 4.719 15.588 1.00 0.00 C ATOM 869 C GLY A 59 1.846 4.783 15.948 1.00 0.00 C ATOM 870 O GLY A 59 1.332 3.907 16.642 1.00 0.00 O ATOM 0 H GLY A 59 3.738 6.639 14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.425 4.305 14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.826 4.038 16.270 1.00 0.00 H new ATOM 874 N ASN A 60 1.167 5.823 15.476 1.00 0.00 N ATOM 875 CA ASN A 60 -0.254 5.999 15.755 1.00 0.00 C ATOM 876 C ASN A 60 -1.061 6.038 14.462 1.00 0.00 C ATOM 877 O ASN A 60 -2.111 5.406 14.353 1.00 0.00 O ATOM 878 CB ASN A 60 -0.483 7.285 16.552 1.00 0.00 C ATOM 879 CG ASN A 60 0.378 8.432 16.059 1.00 0.00 C ATOM 880 OD1 ASN A 60 0.761 8.477 14.890 1.00 0.00 O ATOM 881 ND2 ASN A 60 0.685 9.367 16.951 1.00 0.00 N ATOM 0 H ASN A 60 1.577 6.557 14.899 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.591 5.148 16.347 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.533 7.568 16.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.269 7.100 17.605 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.260 10.163 16.677 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.345 9.289 17.910 1.00 0.00 H new ATOM 888 N GLY A 61 -0.563 6.786 13.481 1.00 0.00 N ATOM 889 CA GLY A 61 -1.250 6.893 12.208 1.00 0.00 C ATOM 890 C GLY A 61 -1.663 8.317 11.890 1.00 0.00 C ATOM 891 O GLY A 61 -2.727 8.550 11.314 1.00 0.00 O ATOM 0 H GLY A 61 0.304 7.319 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.601 6.521 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.134 6.256 12.221 1.00 0.00 H new ATOM 895 N THR A 62 -0.821 9.274 12.268 1.00 0.00 N ATOM 896 CA THR A 62 -1.105 10.682 12.023 1.00 0.00 C ATOM 897 C THR A 62 0.180 11.474 11.814 1.00 0.00 C ATOM 898 O THR A 62 1.117 11.375 12.607 1.00 0.00 O ATOM 899 CB THR A 62 -1.896 11.307 13.188 1.00 0.00 C ATOM 900 OG1 THR A 62 -1.160 11.170 14.408 1.00 0.00 O ATOM 901 CG2 THR A 62 -3.258 10.644 13.334 1.00 0.00 C ATOM 0 H THR A 62 0.063 9.099 12.745 1.00 0.00 H new ATOM 0 HA THR A 62 -1.709 10.729 11.117 1.00 0.00 H new ATOM 0 HB THR A 62 -2.046 12.365 12.971 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.211 11.350 14.240 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.798 11.102 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.827 10.775 12.413 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.126 9.580 13.531 1.00 0.00 H new ATOM 909 N ILE A 63 0.218 12.260 10.744 1.00 0.00 N ATOM 910 CA ILE A 63 1.389 13.071 10.433 1.00 0.00 C ATOM 911 C ILE A 63 1.282 14.456 11.062 1.00 0.00 C ATOM 912 O ILE A 63 0.451 15.270 10.658 1.00 0.00 O ATOM 913 CB ILE A 63 1.580 13.224 8.912 1.00 0.00 C ATOM 914 CG1 ILE A 63 1.661 11.849 8.246 1.00 0.00 C ATOM 915 CG2 ILE A 63 2.831 14.037 8.615 1.00 0.00 C ATOM 916 CD1 ILE A 63 1.130 11.832 6.829 1.00 0.00 C ATOM 0 H ILE A 63 -0.549 12.353 10.077 1.00 0.00 H new ATOM 0 HA ILE A 63 2.252 12.551 10.849 1.00 0.00 H new ATOM 0 HB ILE A 63 0.720 13.755 8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.699 11.518 8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.100 11.131 8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.953 14.137 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.737 15.026 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.701 13.531 9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.219 10.826 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.082 12.133 6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.706 12.525 6.216 1.00 0.00 H new ATOM 928 N ASP A 64 2.128 14.717 12.052 1.00 0.00 N ATOM 929 CA ASP A 64 2.131 16.005 12.736 1.00 0.00 C ATOM 930 C ASP A 64 2.988 17.018 11.983 1.00 0.00 C ATOM 931 O ASP A 64 3.446 16.755 10.870 1.00 0.00 O ATOM 932 CB ASP A 64 2.647 15.846 14.167 1.00 0.00 C ATOM 933 CG ASP A 64 3.928 15.038 14.234 1.00 0.00 C ATOM 934 OD1 ASP A 64 4.452 14.665 13.163 1.00 0.00 O ATOM 935 OD2 ASP A 64 4.409 14.781 15.357 1.00 0.00 O ATOM 0 H ASP A 64 2.821 14.054 12.399 1.00 0.00 H new ATOM 0 HA ASP A 64 1.106 16.374 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.819 16.832 14.600 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.883 15.361 14.774 1.00 0.00 H new ATOM 940 N PHE A 65 3.200 18.178 12.596 1.00 0.00 N ATOM 941 CA PHE A 65 4.000 19.232 11.983 1.00 0.00 C ATOM 942 C PHE A 65 5.353 18.692 11.527 1.00 0.00 C ATOM 943 O PHE A 65 5.792 18.920 10.400 1.00 0.00 O ATOM 944 CB PHE A 65 4.205 20.385 12.968 1.00 0.00 C ATOM 945 CG PHE A 65 5.321 21.313 12.582 1.00 0.00 C ATOM 946 CD1 PHE A 65 5.366 21.874 11.316 1.00 0.00 C ATOM 947 CD2 PHE A 65 6.325 21.623 13.485 1.00 0.00 C ATOM 948 CE1 PHE A 65 6.391 22.729 10.958 1.00 0.00 C ATOM 949 CE2 PHE A 65 7.353 22.477 13.132 1.00 0.00 C ATOM 950 CZ PHE A 65 7.386 23.030 11.867 1.00 0.00 C ATOM 0 H PHE A 65 2.829 18.412 13.517 1.00 0.00 H new ATOM 0 HA PHE A 65 3.462 19.601 11.110 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.279 20.955 13.045 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.410 19.975 13.957 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.591 21.640 10.601 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.304 21.193 14.475 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.414 23.161 9.969 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.130 22.712 13.845 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.189 23.697 11.589 1.00 0.00 H new ATOM 960 N PRO A 66 6.030 17.960 12.424 1.00 0.00 N ATOM 961 CA PRO A 66 7.342 17.372 12.137 1.00 0.00 C ATOM 962 C PRO A 66 7.259 16.235 11.125 1.00 0.00 C ATOM 963 O PRO A 66 7.939 16.255 10.099 1.00 0.00 O ATOM 964 CB PRO A 66 7.799 16.844 13.499 1.00 0.00 C ATOM 965 CG PRO A 66 6.538 16.600 14.253 1.00 0.00 C ATOM 966 CD PRO A 66 5.567 17.648 13.786 1.00 0.00 C ATOM 0 HA PRO A 66 8.025 18.096 11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.381 15.928 13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.433 17.567 14.012 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.155 15.598 14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.705 16.674 15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.543 17.275 13.787 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.586 18.528 14.428 1.00 0.00 H new ATOM 974 N GLU A 67 6.422 15.245 11.420 1.00 0.00 N ATOM 975 CA GLU A 67 6.252 14.100 10.534 1.00 0.00 C ATOM 976 C GLU A 67 5.966 14.554 9.106 1.00 0.00 C ATOM 977 O GLU A 67 6.392 13.916 8.143 1.00 0.00 O ATOM 978 CB GLU A 67 5.115 13.206 11.033 1.00 0.00 C ATOM 979 CG GLU A 67 5.455 12.440 12.301 1.00 0.00 C ATOM 980 CD GLU A 67 4.229 11.851 12.973 1.00 0.00 C ATOM 981 OE1 GLU A 67 3.471 11.126 12.295 1.00 0.00 O ATOM 982 OE2 GLU A 67 4.029 12.115 14.177 1.00 0.00 O ATOM 0 H GLU A 67 5.852 15.213 12.265 1.00 0.00 H new ATOM 0 HA GLU A 67 7.181 13.530 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.234 13.821 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.852 12.496 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.153 11.638 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.962 13.106 12.999 1.00 0.00 H new ATOM 989 N PHE A 68 5.242 15.661 8.976 1.00 0.00 N ATOM 990 CA PHE A 68 4.898 16.201 7.666 1.00 0.00 C ATOM 991 C PHE A 68 6.153 16.468 6.841 1.00 0.00 C ATOM 992 O PHE A 68 6.193 16.191 5.642 1.00 0.00 O ATOM 993 CB PHE A 68 4.090 17.491 7.819 1.00 0.00 C ATOM 994 CG PHE A 68 4.162 18.389 6.617 1.00 0.00 C ATOM 995 CD1 PHE A 68 5.186 19.313 6.486 1.00 0.00 C ATOM 996 CD2 PHE A 68 3.205 18.309 5.618 1.00 0.00 C ATOM 997 CE1 PHE A 68 5.254 20.141 5.382 1.00 0.00 C ATOM 998 CE2 PHE A 68 3.268 19.134 4.511 1.00 0.00 C ATOM 999 CZ PHE A 68 4.295 20.051 4.392 1.00 0.00 C ATOM 0 H PHE A 68 4.882 16.202 9.762 1.00 0.00 H new ATOM 0 HA PHE A 68 4.292 15.461 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.048 17.237 8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.451 18.035 8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.940 19.387 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.401 17.594 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.057 20.858 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.515 19.062 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.348 20.696 3.527 1.00 0.00 H new ATOM 1009 N LEU A 69 7.177 17.009 7.492 1.00 0.00 N ATOM 1010 CA LEU A 69 8.435 17.315 6.819 1.00 0.00 C ATOM 1011 C LEU A 69 9.042 16.059 6.202 1.00 0.00 C ATOM 1012 O LEU A 69 9.750 16.128 5.196 1.00 0.00 O ATOM 1013 CB LEU A 69 9.424 17.941 7.805 1.00 0.00 C ATOM 1014 CG LEU A 69 9.090 19.355 8.282 1.00 0.00 C ATOM 1015 CD1 LEU A 69 8.391 19.311 9.632 1.00 0.00 C ATOM 1016 CD2 LEU A 69 10.352 20.203 8.360 1.00 0.00 C ATOM 0 H LEU A 69 7.161 17.245 8.484 1.00 0.00 H new ATOM 0 HA LEU A 69 8.227 18.027 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.496 17.292 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.409 17.959 7.339 1.00 0.00 H new ATOM 0 HG LEU A 69 8.413 19.812 7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.161 20.326 9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.467 18.740 9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.044 18.836 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.096 21.206 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.053 19.749 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.812 20.262 7.374 1.00 0.00 H new ATOM 1028 N THR A 70 8.759 14.911 6.809 1.00 0.00 N ATOM 1029 CA THR A 70 9.276 13.639 6.319 1.00 0.00 C ATOM 1030 C THR A 70 8.592 13.233 5.019 1.00 0.00 C ATOM 1031 O THR A 70 9.255 12.935 4.025 1.00 0.00 O ATOM 1032 CB THR A 70 9.086 12.518 7.358 1.00 0.00 C ATOM 1033 OG1 THR A 70 9.828 12.819 8.545 1.00 0.00 O ATOM 1034 CG2 THR A 70 9.539 11.179 6.797 1.00 0.00 C ATOM 0 H THR A 70 8.174 14.836 7.641 1.00 0.00 H new ATOM 0 HA THR A 70 10.342 13.779 6.138 1.00 0.00 H new ATOM 0 HB THR A 70 8.025 12.453 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.700 12.102 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.396 10.402 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.952 10.939 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.594 11.235 6.530 1.00 0.00 H new ATOM 1042 N MET A 71 7.264 13.223 5.032 1.00 0.00 N ATOM 1043 CA MET A 71 6.491 12.855 3.852 1.00 0.00 C ATOM 1044 C MET A 71 6.900 13.698 2.649 1.00 0.00 C ATOM 1045 O MET A 71 7.047 13.185 1.540 1.00 0.00 O ATOM 1046 CB MET A 71 4.994 13.024 4.122 1.00 0.00 C ATOM 1047 CG MET A 71 4.132 12.880 2.879 1.00 0.00 C ATOM 1048 SD MET A 71 2.587 13.803 2.995 1.00 0.00 S ATOM 1049 CE MET A 71 3.126 15.431 2.476 1.00 0.00 C ATOM 0 H MET A 71 6.700 13.466 5.847 1.00 0.00 H new ATOM 0 HA MET A 71 6.696 11.808 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.680 12.285 4.859 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.821 14.006 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.693 13.225 2.011 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.909 11.825 2.716 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.280 16.118 2.495 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.901 15.791 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.526 15.376 1.464 1.00 0.00 H new ATOM 1059 N MET A 72 7.083 14.995 2.875 1.00 0.00 N ATOM 1060 CA MET A 72 7.476 15.909 1.809 1.00 0.00 C ATOM 1061 C MET A 72 8.734 15.412 1.104 1.00 0.00 C ATOM 1062 O MET A 72 8.764 15.292 -0.121 1.00 0.00 O ATOM 1063 CB MET A 72 7.713 17.312 2.372 1.00 0.00 C ATOM 1064 CG MET A 72 6.431 18.063 2.691 1.00 0.00 C ATOM 1065 SD MET A 72 6.607 19.848 2.505 1.00 0.00 S ATOM 1066 CE MET A 72 6.641 20.000 0.721 1.00 0.00 C ATOM 0 H MET A 72 6.965 15.437 3.787 1.00 0.00 H new ATOM 0 HA MET A 72 6.665 15.950 1.082 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.314 17.234 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.294 17.890 1.653 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.635 17.710 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.126 17.836 3.713 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.425 21.031 0.439 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.628 19.721 0.351 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.891 19.340 0.285 1.00 0.00 H new ATOM 1284 N ARG A 86 5.567 15.558 -16.967 1.00 0.00 N ATOM 1285 CA ARG A 86 4.237 15.207 -17.451 1.00 0.00 C ATOM 1286 C ARG A 86 3.528 16.429 -18.028 1.00 0.00 C ATOM 1287 O ARG A 86 3.150 16.443 -19.199 1.00 0.00 O ATOM 1288 CB ARG A 86 3.402 14.607 -16.319 1.00 0.00 C ATOM 1289 CG ARG A 86 3.834 13.206 -15.920 1.00 0.00 C ATOM 1290 CD ARG A 86 3.223 12.153 -16.831 1.00 0.00 C ATOM 1291 NE ARG A 86 1.765 12.140 -16.752 1.00 0.00 N ATOM 1292 CZ ARG A 86 1.002 11.265 -17.397 1.00 0.00 C ATOM 1293 NH1 ARG A 86 1.556 10.336 -18.164 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -0.319 11.317 -17.275 1.00 0.00 N ATOM 0 HA ARG A 86 4.349 14.466 -18.243 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.465 15.259 -15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.356 14.582 -16.624 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.921 13.135 -15.958 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.538 13.013 -14.889 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.529 12.343 -17.860 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.609 11.171 -16.560 1.00 0.00 H new ATOM 0 HE ARG A 86 1.307 12.841 -16.170 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.571 10.292 -18.260 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.968 9.665 -18.658 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.749 12.030 -16.685 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.904 10.644 -17.771 1.00 0.00 H new ATOM 1308 N GLU A 87 3.353 17.452 -17.198 1.00 0.00 N ATOM 1309 CA GLU A 87 2.689 18.678 -17.626 1.00 0.00 C ATOM 1310 C GLU A 87 3.160 19.094 -19.017 1.00 0.00 C ATOM 1311 O GLU A 87 2.350 19.380 -19.898 1.00 0.00 O ATOM 1312 CB GLU A 87 2.955 19.805 -16.627 1.00 0.00 C ATOM 1313 CG GLU A 87 2.328 19.569 -15.263 1.00 0.00 C ATOM 1314 CD GLU A 87 0.871 19.985 -15.210 1.00 0.00 C ATOM 1315 OE1 GLU A 87 0.191 19.895 -16.254 1.00 0.00 O ATOM 1316 OE2 GLU A 87 0.411 20.400 -14.126 1.00 0.00 O ATOM 0 H GLU A 87 3.661 17.456 -16.226 1.00 0.00 H new ATOM 0 HA GLU A 87 1.617 18.485 -17.666 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.032 19.926 -16.507 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.573 20.740 -17.037 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.410 18.512 -15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.888 20.123 -14.509 1.00 0.00 H new ATOM 1323 N ALA A 88 4.475 19.127 -19.204 1.00 0.00 N ATOM 1324 CA ALA A 88 5.054 19.508 -20.487 1.00 0.00 C ATOM 1325 C ALA A 88 4.562 18.593 -21.604 1.00 0.00 C ATOM 1326 O ALA A 88 4.195 19.058 -22.683 1.00 0.00 O ATOM 1327 CB ALA A 88 6.573 19.479 -20.409 1.00 0.00 C ATOM 0 H ALA A 88 5.159 18.895 -18.484 1.00 0.00 H new ATOM 0 HA ALA A 88 4.732 20.524 -20.716 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.992 19.765 -21.373 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.911 20.178 -19.644 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.905 18.473 -20.153 1.00 0.00 H new ATOM 1333 N PHE A 89 4.559 17.291 -21.338 1.00 0.00 N ATOM 1334 CA PHE A 89 4.114 16.312 -22.322 1.00 0.00 C ATOM 1335 C PHE A 89 2.697 16.623 -22.797 1.00 0.00 C ATOM 1336 O PHE A 89 2.384 16.484 -23.980 1.00 0.00 O ATOM 1337 CB PHE A 89 4.167 14.902 -21.730 1.00 0.00 C ATOM 1338 CG PHE A 89 3.287 13.917 -22.445 1.00 0.00 C ATOM 1339 CD1 PHE A 89 3.720 13.296 -23.606 1.00 0.00 C ATOM 1340 CD2 PHE A 89 2.026 13.612 -21.957 1.00 0.00 C ATOM 1341 CE1 PHE A 89 2.911 12.391 -24.266 1.00 0.00 C ATOM 1342 CE2 PHE A 89 1.214 12.707 -22.613 1.00 0.00 C ATOM 1343 CZ PHE A 89 1.657 12.095 -23.768 1.00 0.00 C ATOM 0 H PHE A 89 4.860 16.890 -20.450 1.00 0.00 H new ATOM 0 HA PHE A 89 4.786 16.365 -23.179 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.196 14.544 -21.757 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.872 14.946 -20.681 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.700 13.522 -23.999 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.674 14.087 -21.053 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.259 11.915 -25.171 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.233 12.479 -22.222 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.024 11.386 -24.281 1.00 0.00 H new ATOM 1353 N ARG A 90 1.847 17.043 -21.867 1.00 0.00 N ATOM 1354 CA ARG A 90 0.463 17.372 -22.189 1.00 0.00 C ATOM 1355 C ARG A 90 0.397 18.519 -23.193 1.00 0.00 C ATOM 1356 O ARG A 90 -0.360 18.466 -24.163 1.00 0.00 O ATOM 1357 CB ARG A 90 -0.303 17.747 -20.919 1.00 0.00 C ATOM 1358 CG ARG A 90 -0.719 16.548 -20.082 1.00 0.00 C ATOM 1359 CD ARG A 90 -1.151 16.966 -18.686 1.00 0.00 C ATOM 1360 NE ARG A 90 -1.007 15.880 -17.720 1.00 0.00 N ATOM 1361 CZ ARG A 90 -1.576 15.884 -16.520 1.00 0.00 C ATOM 1362 NH1 ARG A 90 -2.323 16.911 -16.140 1.00 0.00 N ATOM 1363 NH2 ARG A 90 -1.398 14.858 -15.697 1.00 0.00 N ATOM 0 H ARG A 90 2.092 17.164 -20.884 1.00 0.00 H new ATOM 0 HA ARG A 90 0.001 16.492 -22.637 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.318 18.406 -20.312 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.193 18.313 -21.195 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.538 16.025 -20.576 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.112 15.846 -20.012 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.556 17.820 -18.363 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.190 17.293 -18.711 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.438 15.075 -17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.462 17.701 -16.770 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.759 16.911 -15.218 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.824 14.066 -15.986 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.835 14.862 -14.775 1.00 0.00 H new ATOM 1377 N VAL A 91 1.195 19.555 -22.954 1.00 0.00 N ATOM 1378 CA VAL A 91 1.228 20.714 -23.838 1.00 0.00 C ATOM 1379 C VAL A 91 1.426 20.294 -25.290 1.00 0.00 C ATOM 1380 O VAL A 91 0.628 20.639 -26.162 1.00 0.00 O ATOM 1381 CB VAL A 91 2.350 21.691 -23.440 1.00 0.00 C ATOM 1382 CG1 VAL A 91 2.387 22.878 -24.391 1.00 0.00 C ATOM 1383 CG2 VAL A 91 2.168 22.154 -22.002 1.00 0.00 C ATOM 0 H VAL A 91 1.827 19.615 -22.156 1.00 0.00 H new ATOM 0 HA VAL A 91 0.266 21.216 -23.737 1.00 0.00 H new ATOM 0 HB VAL A 91 3.305 21.170 -23.511 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.186 23.557 -24.094 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.569 22.525 -25.406 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.432 23.403 -24.355 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.970 22.844 -21.738 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.207 22.659 -21.901 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.197 21.292 -21.336 1.00 0.00 H new ATOM 1393 N PHE A 92 2.494 19.545 -25.543 1.00 0.00 N ATOM 1394 CA PHE A 92 2.798 19.077 -26.890 1.00 0.00 C ATOM 1395 C PHE A 92 1.629 18.282 -27.466 1.00 0.00 C ATOM 1396 O PHE A 92 1.216 18.504 -28.604 1.00 0.00 O ATOM 1397 CB PHE A 92 4.061 18.213 -26.880 1.00 0.00 C ATOM 1398 CG PHE A 92 5.332 19.010 -26.813 1.00 0.00 C ATOM 1399 CD1 PHE A 92 5.859 19.595 -27.953 1.00 0.00 C ATOM 1400 CD2 PHE A 92 6.000 19.174 -25.610 1.00 0.00 C ATOM 1401 CE1 PHE A 92 7.029 20.329 -27.895 1.00 0.00 C ATOM 1402 CE2 PHE A 92 7.169 19.908 -25.546 1.00 0.00 C ATOM 1403 CZ PHE A 92 7.685 20.485 -26.690 1.00 0.00 C ATOM 0 H PHE A 92 3.164 19.249 -24.833 1.00 0.00 H new ATOM 0 HA PHE A 92 2.968 19.949 -27.521 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.021 17.535 -26.027 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.076 17.595 -27.778 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.350 19.476 -28.898 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.603 18.723 -24.713 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.429 20.780 -28.791 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.679 20.030 -24.602 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.600 21.057 -26.642 1.00 0.00 H new ATOM 1413 N ASP A 93 1.102 17.357 -26.672 1.00 0.00 N ATOM 1414 CA ASP A 93 -0.019 16.529 -27.102 1.00 0.00 C ATOM 1415 C ASP A 93 -1.281 17.369 -27.270 1.00 0.00 C ATOM 1416 O ASP A 93 -1.922 17.751 -26.291 1.00 0.00 O ATOM 1417 CB ASP A 93 -0.269 15.408 -26.092 1.00 0.00 C ATOM 1418 CG ASP A 93 -0.855 14.168 -26.738 1.00 0.00 C ATOM 1419 OD1 ASP A 93 -1.653 14.314 -27.687 1.00 0.00 O ATOM 1420 OD2 ASP A 93 -0.516 13.050 -26.294 1.00 0.00 O ATOM 0 H ASP A 93 1.433 17.161 -25.727 1.00 0.00 H new ATOM 0 HA ASP A 93 0.235 16.089 -28.066 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.669 15.150 -25.601 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.947 15.765 -25.317 1.00 0.00 H new ATOM 1425 N LYS A 94 -1.633 17.655 -28.519 1.00 0.00 N ATOM 1426 CA LYS A 94 -2.818 18.450 -28.818 1.00 0.00 C ATOM 1427 C LYS A 94 -4.088 17.701 -28.427 1.00 0.00 C ATOM 1428 O LYS A 94 -4.782 18.086 -27.485 1.00 0.00 O ATOM 1429 CB LYS A 94 -2.859 18.802 -30.307 1.00 0.00 C ATOM 1430 CG LYS A 94 -1.814 19.824 -30.719 1.00 0.00 C ATOM 1431 CD LYS A 94 -2.278 20.648 -31.909 1.00 0.00 C ATOM 1432 CE LYS A 94 -1.106 21.100 -32.765 1.00 0.00 C ATOM 1433 NZ LYS A 94 -1.399 22.373 -33.481 1.00 0.00 N ATOM 0 H LYS A 94 -1.114 17.348 -29.341 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.765 19.369 -28.235 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.716 17.893 -30.891 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.849 19.187 -30.554 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.599 20.485 -29.879 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.884 19.314 -30.969 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.966 20.059 -32.515 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.830 21.519 -31.556 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.226 21.232 -32.135 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.865 20.323 -33.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.595 22.620 -34.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.253 22.256 -34.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.554 23.133 -32.788 1.00 0.00 H new ATOM 1447 N ASP A 95 -4.385 16.630 -29.154 1.00 0.00 N ATOM 1448 CA ASP A 95 -5.571 15.826 -28.881 1.00 0.00 C ATOM 1449 C ASP A 95 -5.537 15.273 -27.459 1.00 0.00 C ATOM 1450 O ASP A 95 -6.566 15.190 -26.790 1.00 0.00 O ATOM 1451 CB ASP A 95 -5.676 14.677 -29.885 1.00 0.00 C ATOM 1452 CG ASP A 95 -4.474 13.754 -29.837 1.00 0.00 C ATOM 1453 OD1 ASP A 95 -3.377 14.227 -29.474 1.00 0.00 O ATOM 1454 OD2 ASP A 95 -4.630 12.559 -30.165 1.00 0.00 O ATOM 0 H ASP A 95 -3.821 16.298 -29.937 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.446 16.468 -28.982 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.580 14.103 -29.682 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.777 15.085 -30.891 1.00 0.00 H new ATOM 1459 N GLY A 96 -4.346 14.897 -27.004 1.00 0.00 N ATOM 1460 CA GLY A 96 -4.200 14.356 -25.665 1.00 0.00 C ATOM 1461 C GLY A 96 -4.585 12.892 -25.586 1.00 0.00 C ATOM 1462 O GLY A 96 -5.313 12.482 -24.684 1.00 0.00 O ATOM 0 H GLY A 96 -3.479 14.957 -27.539 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.167 14.475 -25.339 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.820 14.929 -24.975 1.00 0.00 H new ATOM 1466 N ASN A 97 -4.095 12.101 -26.536 1.00 0.00 N ATOM 1467 CA ASN A 97 -4.393 10.674 -26.571 1.00 0.00 C ATOM 1468 C ASN A 97 -3.278 9.868 -25.912 1.00 0.00 C ATOM 1469 O ASN A 97 -3.536 8.980 -25.100 1.00 0.00 O ATOM 1470 CB ASN A 97 -4.589 10.208 -28.015 1.00 0.00 C ATOM 1471 CG ASN A 97 -3.313 10.301 -28.830 1.00 0.00 C ATOM 1472 OD1 ASN A 97 -2.758 11.385 -29.013 1.00 0.00 O ATOM 1473 ND2 ASN A 97 -2.843 9.162 -29.325 1.00 0.00 N ATOM 0 H ASN A 97 -3.490 12.424 -27.291 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.315 10.508 -26.014 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.944 9.177 -28.016 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.364 10.812 -28.487 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.989 9.162 -29.882 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.336 8.287 -29.148 1.00 0.00 H new ATOM 1480 N GLY A 98 -2.036 10.186 -26.267 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.900 9.483 -25.700 1.00 0.00 C ATOM 1482 C GLY A 98 0.357 9.650 -26.529 1.00 0.00 C ATOM 1483 O GLY A 98 1.459 9.743 -25.987 1.00 0.00 O ATOM 0 H GLY A 98 -1.797 10.917 -26.937 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.717 9.850 -24.690 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.138 8.423 -25.616 1.00 0.00 H new ATOM 1487 N TYR A 99 0.195 9.687 -27.847 1.00 0.00 N ATOM 1488 CA TYR A 99 1.327 9.840 -28.753 1.00 0.00 C ATOM 1489 C TYR A 99 1.291 11.200 -29.445 1.00 0.00 C ATOM 1490 O TYR A 99 0.266 11.601 -29.996 1.00 0.00 O ATOM 1491 CB TYR A 99 1.324 8.724 -29.799 1.00 0.00 C ATOM 1492 CG TYR A 99 1.917 7.425 -29.299 1.00 0.00 C ATOM 1493 CD1 TYR A 99 1.242 6.643 -28.370 1.00 0.00 C ATOM 1494 CD2 TYR A 99 3.150 6.980 -29.758 1.00 0.00 C ATOM 1495 CE1 TYR A 99 1.780 5.456 -27.910 1.00 0.00 C ATOM 1496 CE2 TYR A 99 3.695 5.794 -29.305 1.00 0.00 C ATOM 1497 CZ TYR A 99 3.006 5.036 -28.381 1.00 0.00 C ATOM 1498 OH TYR A 99 3.545 3.854 -27.927 1.00 0.00 O ATOM 0 H TYR A 99 -0.710 9.613 -28.312 1.00 0.00 H new ATOM 0 HA TYR A 99 2.242 9.776 -28.164 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.299 8.545 -30.124 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.883 9.056 -30.674 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.280 6.968 -28.001 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.692 7.571 -30.481 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.243 4.861 -27.186 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.655 5.462 -29.672 1.00 0.00 H new ATOM 0 HH TYR A 99 4.412 3.703 -28.358 1.00 0.00 H new ATOM 1508 N ILE A 100 2.418 11.902 -29.411 1.00 0.00 N ATOM 1509 CA ILE A 100 2.518 13.216 -30.035 1.00 0.00 C ATOM 1510 C ILE A 100 3.050 13.108 -31.460 1.00 0.00 C ATOM 1511 O ILE A 100 4.222 12.799 -31.674 1.00 0.00 O ATOM 1512 CB ILE A 100 3.432 14.155 -29.227 1.00 0.00 C ATOM 1513 CG1 ILE A 100 2.903 14.315 -27.801 1.00 0.00 C ATOM 1514 CG2 ILE A 100 3.539 15.509 -29.913 1.00 0.00 C ATOM 1515 CD1 ILE A 100 3.983 14.614 -26.785 1.00 0.00 C ATOM 0 H ILE A 100 3.275 11.583 -28.958 1.00 0.00 H new ATOM 0 HA ILE A 100 1.511 13.633 -30.056 1.00 0.00 H new ATOM 0 HB ILE A 100 4.428 13.715 -29.177 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.167 15.119 -27.783 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.385 13.401 -27.510 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.188 16.162 -29.330 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.957 15.379 -30.911 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.548 15.957 -29.990 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.535 14.715 -25.797 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.707 13.800 -26.774 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.486 15.544 -27.052 1.00 0.00 H new ATOM 1527 N SER A 101 2.181 13.367 -32.432 1.00 0.00 N ATOM 1528 CA SER A 101 2.563 13.298 -33.838 1.00 0.00 C ATOM 1529 C SER A 101 3.505 14.441 -34.202 1.00 0.00 C ATOM 1530 O SER A 101 3.568 15.454 -33.505 1.00 0.00 O ATOM 1531 CB SER A 101 1.320 13.343 -34.728 1.00 0.00 C ATOM 1532 OG SER A 101 0.509 14.462 -34.416 1.00 0.00 O ATOM 0 H SER A 101 1.208 13.627 -32.272 1.00 0.00 H new ATOM 0 HA SER A 101 3.085 12.355 -34.002 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.620 13.388 -35.775 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.744 12.426 -34.601 1.00 0.00 H new ATOM 0 HG SER A 101 -0.278 14.469 -35.000 1.00 0.00 H new ATOM 1538 N ALA A 102 4.235 14.271 -35.299 1.00 0.00 N ATOM 1539 CA ALA A 102 5.173 15.289 -35.758 1.00 0.00 C ATOM 1540 C ALA A 102 4.511 16.662 -35.810 1.00 0.00 C ATOM 1541 O ALA A 102 4.916 17.583 -35.101 1.00 0.00 O ATOM 1542 CB ALA A 102 5.728 14.917 -37.125 1.00 0.00 C ATOM 0 H ALA A 102 4.195 13.438 -35.887 1.00 0.00 H new ATOM 0 HA ALA A 102 5.996 15.338 -35.045 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.427 15.686 -37.455 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.246 13.960 -37.059 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.910 14.839 -37.841 1.00 0.00 H new ATOM 1548 N ALA A 103 3.492 16.791 -36.653 1.00 0.00 N ATOM 1549 CA ALA A 103 2.774 18.051 -36.796 1.00 0.00 C ATOM 1550 C ALA A 103 2.434 18.647 -35.434 1.00 0.00 C ATOM 1551 O ALA A 103 2.741 19.806 -35.160 1.00 0.00 O ATOM 1552 CB ALA A 103 1.508 17.847 -37.616 1.00 0.00 C ATOM 0 H ALA A 103 3.145 16.038 -37.247 1.00 0.00 H new ATOM 0 HA ALA A 103 3.423 18.753 -37.319 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.982 18.796 -37.715 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.772 17.474 -38.606 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.863 17.125 -37.116 1.00 0.00 H new ATOM 1558 N GLU A 104 1.798 17.845 -34.585 1.00 0.00 N ATOM 1559 CA GLU A 104 1.416 18.296 -33.252 1.00 0.00 C ATOM 1560 C GLU A 104 2.568 19.033 -32.575 1.00 0.00 C ATOM 1561 O GLU A 104 2.441 20.202 -32.207 1.00 0.00 O ATOM 1562 CB GLU A 104 0.982 17.106 -32.392 1.00 0.00 C ATOM 1563 CG GLU A 104 -0.504 16.802 -32.479 1.00 0.00 C ATOM 1564 CD GLU A 104 -0.898 15.581 -31.670 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -0.088 14.633 -31.596 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -2.015 15.573 -31.112 1.00 0.00 O ATOM 0 H GLU A 104 1.537 16.882 -34.796 1.00 0.00 H new ATOM 0 HA GLU A 104 0.578 18.985 -33.356 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.543 16.223 -32.698 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.243 17.305 -31.353 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.069 17.665 -32.126 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.779 16.646 -33.522 1.00 0.00 H new ATOM 1573 N LEU A 105 3.691 18.342 -32.413 1.00 0.00 N ATOM 1574 CA LEU A 105 4.866 18.930 -31.780 1.00 0.00 C ATOM 1575 C LEU A 105 5.513 19.968 -32.692 1.00 0.00 C ATOM 1576 O LEU A 105 6.291 20.808 -32.238 1.00 0.00 O ATOM 1577 CB LEU A 105 5.880 17.839 -31.430 1.00 0.00 C ATOM 1578 CG LEU A 105 7.253 18.324 -30.963 1.00 0.00 C ATOM 1579 CD1 LEU A 105 7.850 17.350 -29.960 1.00 0.00 C ATOM 1580 CD2 LEU A 105 8.186 18.509 -32.150 1.00 0.00 C ATOM 0 H LEU A 105 3.813 17.374 -32.711 1.00 0.00 H new ATOM 0 HA LEU A 105 4.545 19.427 -30.864 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.453 17.212 -30.648 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.019 17.206 -32.306 1.00 0.00 H new ATOM 0 HG LEU A 105 7.128 19.289 -30.471 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.827 17.712 -29.639 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.191 17.268 -29.096 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.961 16.371 -30.425 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.158 18.854 -31.798 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.305 17.559 -32.671 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.764 19.246 -32.833 1.00 0.00 H new ATOM 1592 N ARG A 106 5.185 19.906 -33.978 1.00 0.00 N ATOM 1593 CA ARG A 106 5.733 20.842 -34.952 1.00 0.00 C ATOM 1594 C ARG A 106 5.204 22.252 -34.710 1.00 0.00 C ATOM 1595 O ARG A 106 5.942 23.231 -34.820 1.00 0.00 O ATOM 1596 CB ARG A 106 5.386 20.393 -36.373 1.00 0.00 C ATOM 1597 CG ARG A 106 6.430 20.783 -37.407 1.00 0.00 C ATOM 1598 CD ARG A 106 5.863 20.730 -38.817 1.00 0.00 C ATOM 1599 NE ARG A 106 5.204 19.457 -39.096 1.00 0.00 N ATOM 1600 CZ ARG A 106 5.853 18.304 -39.210 1.00 0.00 C ATOM 1601 NH1 ARG A 106 7.171 18.263 -39.071 1.00 0.00 N ATOM 1602 NH2 ARG A 106 5.183 17.187 -39.465 1.00 0.00 N ATOM 0 H ARG A 106 4.542 19.217 -34.370 1.00 0.00 H new ATOM 0 HA ARG A 106 6.817 20.855 -34.836 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.264 19.310 -36.383 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.426 20.825 -36.657 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.794 21.789 -37.197 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.286 20.113 -37.332 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.151 21.544 -38.952 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.666 20.887 -39.537 1.00 0.00 H new ATOM 0 HE ARG A 106 4.190 19.453 -39.209 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.690 19.119 -38.876 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.666 17.375 -39.159 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.169 17.214 -39.574 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.682 16.302 -39.552 1.00 0.00 H new ATOM 1616 N HIS A 107 3.920 22.348 -34.379 1.00 0.00 N ATOM 1617 CA HIS A 107 3.291 23.639 -34.121 1.00 0.00 C ATOM 1618 C HIS A 107 3.632 24.138 -32.720 1.00 0.00 C ATOM 1619 O HIS A 107 3.924 25.318 -32.524 1.00 0.00 O ATOM 1620 CB HIS A 107 1.775 23.533 -34.283 1.00 0.00 C ATOM 1621 CG HIS A 107 1.032 24.724 -33.761 1.00 0.00 C ATOM 1622 ND1 HIS A 107 0.928 25.910 -34.458 1.00 0.00 N ATOM 1623 CD2 HIS A 107 0.353 24.908 -32.605 1.00 0.00 C ATOM 1624 CE1 HIS A 107 0.218 26.772 -33.752 1.00 0.00 C ATOM 1625 NE2 HIS A 107 -0.143 26.189 -32.623 1.00 0.00 N ATOM 0 H HIS A 107 3.295 21.548 -34.283 1.00 0.00 H new ATOM 0 HA HIS A 107 3.676 24.355 -34.847 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.539 23.402 -35.339 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.424 22.640 -33.765 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.225 24.183 -31.815 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.026 27.782 -34.048 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.699 26.620 -31.885 1.00 0.00 H new ATOM 1634 N VAL A 108 3.590 23.232 -31.748 1.00 0.00 N ATOM 1635 CA VAL A 108 3.894 23.580 -30.365 1.00 0.00 C ATOM 1636 C VAL A 108 5.311 24.130 -30.235 1.00 0.00 C ATOM 1637 O VAL A 108 5.549 25.093 -29.507 1.00 0.00 O ATOM 1638 CB VAL A 108 3.740 22.364 -29.433 1.00 0.00 C ATOM 1639 CG1 VAL A 108 4.216 22.703 -28.029 1.00 0.00 C ATOM 1640 CG2 VAL A 108 2.296 21.886 -29.415 1.00 0.00 C ATOM 0 H VAL A 108 3.348 22.252 -31.893 1.00 0.00 H new ATOM 0 HA VAL A 108 3.180 24.348 -30.068 1.00 0.00 H new ATOM 0 HB VAL A 108 4.362 21.554 -29.815 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.099 21.831 -27.385 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.266 22.993 -28.061 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.624 23.528 -27.633 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.206 21.026 -28.751 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.651 22.689 -29.058 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.995 21.600 -30.423 1.00 0.00 H new ATOM 1650 N MET A 109 6.247 23.511 -30.947 1.00 0.00 N ATOM 1651 CA MET A 109 7.640 23.940 -30.913 1.00 0.00 C ATOM 1652 C MET A 109 7.774 25.392 -31.363 1.00 0.00 C ATOM 1653 O MET A 109 8.432 26.198 -30.706 1.00 0.00 O ATOM 1654 CB MET A 109 8.496 23.037 -31.804 1.00 0.00 C ATOM 1655 CG MET A 109 8.882 21.723 -31.145 1.00 0.00 C ATOM 1656 SD MET A 109 9.864 21.957 -29.651 1.00 0.00 S ATOM 1657 CE MET A 109 11.414 22.521 -30.350 1.00 0.00 C ATOM 0 H MET A 109 6.066 22.711 -31.554 1.00 0.00 H new ATOM 0 HA MET A 109 7.992 23.863 -29.884 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.951 22.826 -32.724 1.00 0.00 H new ATOM 0 HB3 MET A 109 9.402 23.573 -32.086 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.978 21.166 -30.898 1.00 0.00 H new ATOM 0 HG3 MET A 109 9.446 21.117 -31.854 1.00 0.00 H new ATOM 0 HE1 MET A 109 12.191 22.488 -29.586 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.695 21.874 -31.181 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.301 23.544 -30.709 1.00 0.00 H new ATOM 1667 N THR A 110 7.144 25.718 -32.487 1.00 0.00 N ATOM 1668 CA THR A 110 7.194 27.072 -33.025 1.00 0.00 C ATOM 1669 C THR A 110 6.752 28.094 -31.984 1.00 0.00 C ATOM 1670 O THR A 110 7.357 29.156 -31.848 1.00 0.00 O ATOM 1671 CB THR A 110 6.306 27.213 -34.276 1.00 0.00 C ATOM 1672 OG1 THR A 110 6.624 26.185 -35.221 1.00 0.00 O ATOM 1673 CG2 THR A 110 6.491 28.578 -34.921 1.00 0.00 C ATOM 0 H THR A 110 6.593 25.063 -33.042 1.00 0.00 H new ATOM 0 HA THR A 110 8.231 27.264 -33.301 1.00 0.00 H new ATOM 0 HB THR A 110 5.265 27.113 -33.968 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.190 25.348 -34.953 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.854 28.653 -35.802 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.219 29.357 -34.209 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.533 28.703 -35.215 1.00 0.00 H new ATOM 1681 N ASN A 111 5.693 27.765 -31.251 1.00 0.00 N ATOM 1682 CA ASN A 111 5.170 28.656 -30.221 1.00 0.00 C ATOM 1683 C ASN A 111 6.270 29.066 -29.247 1.00 0.00 C ATOM 1684 O ASN A 111 6.391 30.238 -28.888 1.00 0.00 O ATOM 1685 CB ASN A 111 4.029 27.976 -29.462 1.00 0.00 C ATOM 1686 CG ASN A 111 2.740 27.946 -30.261 1.00 0.00 C ATOM 1687 OD1 ASN A 111 1.885 28.939 -30.043 1.00 0.00 O flip ATOM 1688 ND2 ASN A 111 2.517 27.041 -31.065 1.00 0.00 N flip ATOM 0 H ASN A 111 5.181 26.889 -31.351 1.00 0.00 H new ATOM 0 HA ASN A 111 4.789 29.553 -30.710 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.321 26.956 -29.210 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.858 28.500 -28.522 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.203 26.298 -31.200 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.646 27.034 -31.596 1.00 0.00 H new ATOM 1695 N LEU A 112 7.071 28.094 -28.824 1.00 0.00 N ATOM 1696 CA LEU A 112 8.162 28.354 -27.892 1.00 0.00 C ATOM 1697 C LEU A 112 8.847 29.679 -28.210 1.00 0.00 C ATOM 1698 O LEU A 112 9.168 30.455 -27.311 1.00 0.00 O ATOM 1699 CB LEU A 112 9.183 27.215 -27.941 1.00 0.00 C ATOM 1700 CG LEU A 112 8.677 25.841 -27.500 1.00 0.00 C ATOM 1701 CD1 LEU A 112 9.757 24.788 -27.691 1.00 0.00 C ATOM 1702 CD2 LEU A 112 8.221 25.882 -26.048 1.00 0.00 C ATOM 0 H LEU A 112 6.985 27.119 -29.112 1.00 0.00 H new ATOM 0 HA LEU A 112 7.742 28.415 -26.888 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.556 27.132 -28.962 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.031 27.487 -27.312 1.00 0.00 H new ATOM 0 HG LEU A 112 7.823 25.573 -28.122 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.379 23.817 -27.372 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.037 24.740 -28.743 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.631 25.051 -27.095 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.864 24.896 -25.751 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.057 26.172 -25.412 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.415 26.607 -25.940 1.00 0.00 H new ATOM 1714 N GLY A 113 9.065 29.933 -29.497 1.00 0.00 N ATOM 1715 CA GLY A 113 9.707 31.167 -29.911 1.00 0.00 C ATOM 1716 C GLY A 113 10.715 30.950 -31.022 1.00 0.00 C ATOM 1717 O GLY A 113 11.802 31.526 -31.002 1.00 0.00 O ATOM 0 H GLY A 113 8.809 29.306 -30.260 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.948 31.874 -30.246 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.207 31.619 -29.054 1.00 0.00 H new ATOM 1721 N GLU A 114 10.354 30.117 -31.993 1.00 0.00 N ATOM 1722 CA GLU A 114 11.237 29.825 -33.116 1.00 0.00 C ATOM 1723 C GLU A 114 10.435 29.395 -34.341 1.00 0.00 C ATOM 1724 O GLU A 114 9.256 29.057 -34.238 1.00 0.00 O ATOM 1725 CB GLU A 114 12.236 28.729 -32.736 1.00 0.00 C ATOM 1726 CG GLU A 114 13.127 29.099 -31.562 1.00 0.00 C ATOM 1727 CD GLU A 114 14.001 30.304 -31.850 1.00 0.00 C ATOM 1728 OE1 GLU A 114 14.376 30.497 -33.025 1.00 0.00 O ATOM 1729 OE2 GLU A 114 14.309 31.054 -30.900 1.00 0.00 O ATOM 0 H GLU A 114 9.457 29.633 -32.025 1.00 0.00 H new ATOM 0 HA GLU A 114 11.783 30.735 -33.362 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.689 27.818 -32.493 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.862 28.504 -33.600 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.506 29.305 -30.690 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.760 28.248 -31.309 1.00 0.00 H new ATOM 1736 N LYS A 115 11.083 29.411 -35.501 1.00 0.00 N ATOM 1737 CA LYS A 115 10.433 29.023 -36.746 1.00 0.00 C ATOM 1738 C LYS A 115 11.061 27.755 -37.315 1.00 0.00 C ATOM 1739 O LYS A 115 12.091 27.808 -37.989 1.00 0.00 O ATOM 1740 CB LYS A 115 10.530 30.156 -37.771 1.00 0.00 C ATOM 1741 CG LYS A 115 9.731 31.390 -37.389 1.00 0.00 C ATOM 1742 CD LYS A 115 10.269 32.636 -38.074 1.00 0.00 C ATOM 1743 CE LYS A 115 9.457 33.869 -37.705 1.00 0.00 C ATOM 1744 NZ LYS A 115 9.587 34.944 -38.727 1.00 0.00 N ATOM 0 H LYS A 115 12.059 29.689 -35.604 1.00 0.00 H new ATOM 0 HA LYS A 115 9.383 28.824 -36.532 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.577 30.435 -37.895 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.181 29.792 -38.737 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.685 31.246 -37.661 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.763 31.525 -36.308 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.311 32.787 -37.791 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.249 32.496 -39.155 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.408 33.594 -37.598 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.788 34.246 -36.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.019 35.767 -38.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.585 35.224 -38.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.247 34.593 -39.645 1.00 0.00 H new ATOM 1758 N LEU A 116 10.434 26.616 -37.042 1.00 0.00 N ATOM 1759 CA LEU A 116 10.931 25.333 -37.528 1.00 0.00 C ATOM 1760 C LEU A 116 10.064 24.810 -38.668 1.00 0.00 C ATOM 1761 O LEU A 116 8.904 25.200 -38.811 1.00 0.00 O ATOM 1762 CB LEU A 116 10.965 24.312 -36.389 1.00 0.00 C ATOM 1763 CG LEU A 116 11.798 24.699 -35.166 1.00 0.00 C ATOM 1764 CD1 LEU A 116 11.512 23.757 -34.007 1.00 0.00 C ATOM 1765 CD2 LEU A 116 13.281 24.694 -35.507 1.00 0.00 C ATOM 0 H LEU A 116 9.581 26.554 -36.487 1.00 0.00 H new ATOM 0 HA LEU A 116 11.943 25.483 -37.904 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.942 24.127 -36.063 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.349 23.371 -36.783 1.00 0.00 H new ATOM 0 HG LEU A 116 11.519 25.709 -34.864 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.113 24.047 -33.145 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.455 23.811 -33.747 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.762 22.737 -34.297 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.858 24.972 -34.625 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.576 23.697 -35.834 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.473 25.410 -36.306 1.00 0.00 H new ATOM 1777 N THR A 117 10.633 23.924 -39.479 1.00 0.00 N ATOM 1778 CA THR A 117 9.912 23.346 -40.607 1.00 0.00 C ATOM 1779 C THR A 117 9.856 21.827 -40.504 1.00 0.00 C ATOM 1780 O THR A 117 10.459 21.233 -39.609 1.00 0.00 O ATOM 1781 CB THR A 117 10.562 23.735 -41.948 1.00 0.00 C ATOM 1782 OG1 THR A 117 11.972 23.487 -41.899 1.00 0.00 O ATOM 1783 CG2 THR A 117 10.311 25.201 -42.266 1.00 0.00 C ATOM 0 H THR A 117 11.591 23.591 -39.376 1.00 0.00 H new ATOM 0 HA THR A 117 8.899 23.747 -40.573 1.00 0.00 H new ATOM 0 HB THR A 117 10.113 23.127 -42.734 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.378 23.735 -42.756 1.00 0.00 H new ATOM 0 HG21 THR A 117 10.780 25.452 -43.218 1.00 0.00 H new ATOM 0 HG22 THR A 117 9.238 25.381 -42.331 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.735 25.822 -41.477 1.00 0.00 H new ATOM 1791 N ASP A 118 9.130 21.202 -41.424 1.00 0.00 N ATOM 1792 CA ASP A 118 8.997 19.750 -41.437 1.00 0.00 C ATOM 1793 C ASP A 118 10.361 19.078 -41.318 1.00 0.00 C ATOM 1794 O ASP A 118 10.497 18.038 -40.674 1.00 0.00 O ATOM 1795 CB ASP A 118 8.300 19.292 -42.719 1.00 0.00 C ATOM 1796 CG ASP A 118 7.571 17.975 -42.543 1.00 0.00 C ATOM 1797 OD1 ASP A 118 8.247 16.927 -42.480 1.00 0.00 O ATOM 1798 OD2 ASP A 118 6.324 17.991 -42.470 1.00 0.00 O ATOM 0 H ASP A 118 8.624 21.678 -42.171 1.00 0.00 H new ATOM 0 HA ASP A 118 8.392 19.458 -40.579 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.591 20.057 -43.037 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.038 19.192 -43.515 1.00 0.00 H new ATOM 1803 N GLU A 119 11.369 19.680 -41.942 1.00 0.00 N ATOM 1804 CA GLU A 119 12.722 19.138 -41.907 1.00 0.00 C ATOM 1805 C GLU A 119 13.297 19.205 -40.495 1.00 0.00 C ATOM 1806 O GLU A 119 13.770 18.203 -39.959 1.00 0.00 O ATOM 1807 CB GLU A 119 13.627 19.903 -42.875 1.00 0.00 C ATOM 1808 CG GLU A 119 13.167 19.833 -44.322 1.00 0.00 C ATOM 1809 CD GLU A 119 12.963 18.409 -44.801 1.00 0.00 C ATOM 1810 OE1 GLU A 119 13.959 17.766 -45.193 1.00 0.00 O ATOM 1811 OE2 GLU A 119 11.807 17.937 -44.782 1.00 0.00 O ATOM 0 H GLU A 119 11.274 20.543 -42.478 1.00 0.00 H new ATOM 0 HA GLU A 119 12.676 18.093 -42.214 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.673 20.948 -42.567 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.639 19.505 -42.805 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.234 20.386 -44.430 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.904 20.324 -44.958 1.00 0.00 H new ATOM 1818 N GLU A 120 13.253 20.393 -39.900 1.00 0.00 N ATOM 1819 CA GLU A 120 13.772 20.590 -38.551 1.00 0.00 C ATOM 1820 C GLU A 120 13.219 19.536 -37.596 1.00 0.00 C ATOM 1821 O GLU A 120 13.975 18.829 -36.929 1.00 0.00 O ATOM 1822 CB GLU A 120 13.418 21.990 -38.044 1.00 0.00 C ATOM 1823 CG GLU A 120 14.018 23.109 -38.878 1.00 0.00 C ATOM 1824 CD GLU A 120 15.531 23.157 -38.788 1.00 0.00 C ATOM 1825 OE1 GLU A 120 16.189 22.270 -39.371 1.00 0.00 O ATOM 1826 OE2 GLU A 120 16.057 24.082 -38.135 1.00 0.00 O ATOM 0 H GLU A 120 12.864 21.232 -40.330 1.00 0.00 H new ATOM 0 HA GLU A 120 14.857 20.488 -38.588 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.334 22.099 -38.031 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.761 22.092 -37.014 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.724 22.979 -39.919 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.608 24.063 -38.548 1.00 0.00 H new ATOM 1833 N VAL A 121 11.895 19.438 -37.535 1.00 0.00 N ATOM 1834 CA VAL A 121 11.239 18.471 -36.662 1.00 0.00 C ATOM 1835 C VAL A 121 11.605 17.043 -37.052 1.00 0.00 C ATOM 1836 O VAL A 121 11.912 16.214 -36.195 1.00 0.00 O ATOM 1837 CB VAL A 121 9.708 18.627 -36.703 1.00 0.00 C ATOM 1838 CG1 VAL A 121 9.034 17.465 -35.988 1.00 0.00 C ATOM 1839 CG2 VAL A 121 9.291 19.955 -36.089 1.00 0.00 C ATOM 0 H VAL A 121 11.255 20.016 -38.080 1.00 0.00 H new ATOM 0 HA VAL A 121 11.589 18.669 -35.649 1.00 0.00 H new ATOM 0 HB VAL A 121 9.387 18.618 -37.745 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.952 17.592 -36.027 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.307 16.530 -36.476 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.359 17.440 -34.948 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.206 20.048 -36.126 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.623 19.997 -35.052 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.745 20.773 -36.648 1.00 0.00 H new ATOM 1849 N ASP A 122 11.569 16.763 -38.350 1.00 0.00 N ATOM 1850 CA ASP A 122 11.898 15.435 -38.855 1.00 0.00 C ATOM 1851 C ASP A 122 13.166 14.901 -38.195 1.00 0.00 C ATOM 1852 O ASP A 122 13.210 13.755 -37.750 1.00 0.00 O ATOM 1853 CB ASP A 122 12.076 15.472 -40.373 1.00 0.00 C ATOM 1854 CG ASP A 122 10.757 15.370 -41.113 1.00 0.00 C ATOM 1855 OD1 ASP A 122 9.822 14.741 -40.574 1.00 0.00 O ATOM 1856 OD2 ASP A 122 10.659 15.918 -42.231 1.00 0.00 O ATOM 0 H ASP A 122 11.315 17.438 -39.072 1.00 0.00 H new ATOM 0 HA ASP A 122 11.073 14.766 -38.610 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.577 16.398 -40.655 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.726 14.652 -40.680 1.00 0.00 H new ATOM 1861 N GLU A 123 14.195 15.741 -38.137 1.00 0.00 N ATOM 1862 CA GLU A 123 15.464 15.352 -37.533 1.00 0.00 C ATOM 1863 C GLU A 123 15.282 15.009 -36.057 1.00 0.00 C ATOM 1864 O GLU A 123 15.991 14.162 -35.514 1.00 0.00 O ATOM 1865 CB GLU A 123 16.492 16.476 -37.683 1.00 0.00 C ATOM 1866 CG GLU A 123 16.816 16.815 -39.129 1.00 0.00 C ATOM 1867 CD GLU A 123 18.230 17.334 -39.303 1.00 0.00 C ATOM 1868 OE1 GLU A 123 19.174 16.633 -38.882 1.00 0.00 O ATOM 1869 OE2 GLU A 123 18.393 18.439 -39.860 1.00 0.00 O ATOM 0 H GLU A 123 14.175 16.694 -38.500 1.00 0.00 H new ATOM 0 HA GLU A 123 15.827 14.465 -38.053 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.116 17.370 -37.184 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.410 16.188 -37.172 1.00 0.00 H new ATOM 0 HG2 GLU A 123 16.680 15.927 -39.746 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.111 17.564 -39.490 1.00 0.00 H new ATOM 1876 N MET A 124 14.327 15.674 -35.415 1.00 0.00 N ATOM 1877 CA MET A 124 14.052 15.439 -34.002 1.00 0.00 C ATOM 1878 C MET A 124 13.309 14.121 -33.805 1.00 0.00 C ATOM 1879 O MET A 124 13.699 13.296 -32.978 1.00 0.00 O ATOM 1880 CB MET A 124 13.230 16.592 -33.422 1.00 0.00 C ATOM 1881 CG MET A 124 12.981 16.469 -31.928 1.00 0.00 C ATOM 1882 SD MET A 124 12.732 18.068 -31.131 1.00 0.00 S ATOM 1883 CE MET A 124 11.386 17.684 -30.014 1.00 0.00 C ATOM 0 H MET A 124 13.731 16.379 -35.850 1.00 0.00 H new ATOM 0 HA MET A 124 15.005 15.381 -33.477 1.00 0.00 H new ATOM 0 HB2 MET A 124 13.747 17.531 -33.620 1.00 0.00 H new ATOM 0 HB3 MET A 124 12.272 16.640 -33.939 1.00 0.00 H new ATOM 0 HG2 MET A 124 12.104 15.843 -31.760 1.00 0.00 H new ATOM 0 HG3 MET A 124 13.827 15.963 -31.463 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.511 18.276 -30.282 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.144 16.624 -30.087 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.683 17.919 -28.992 1.00 0.00 H new ATOM 1893 N ILE A 125 12.238 13.930 -34.569 1.00 0.00 N ATOM 1894 CA ILE A 125 11.443 12.712 -34.478 1.00 0.00 C ATOM 1895 C ILE A 125 12.324 11.472 -34.576 1.00 0.00 C ATOM 1896 O ILE A 125 12.057 10.456 -33.934 1.00 0.00 O ATOM 1897 CB ILE A 125 10.371 12.656 -35.582 1.00 0.00 C ATOM 1898 CG1 ILE A 125 9.354 13.784 -35.394 1.00 0.00 C ATOM 1899 CG2 ILE A 125 9.675 11.303 -35.577 1.00 0.00 C ATOM 1900 CD1 ILE A 125 8.555 13.670 -34.115 1.00 0.00 C ATOM 0 H ILE A 125 11.901 14.603 -35.257 1.00 0.00 H new ATOM 0 HA ILE A 125 10.951 12.728 -33.506 1.00 0.00 H new ATOM 0 HB ILE A 125 10.859 12.789 -36.548 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.878 14.740 -35.402 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.669 13.790 -36.242 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.920 11.279 -36.363 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.408 10.516 -35.754 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.197 11.143 -34.610 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.854 14.502 -34.048 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.003 12.730 -34.113 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.231 13.695 -33.260 1.00 0.00 H new ATOM 1912 N ARG A 126 13.376 11.562 -35.383 1.00 0.00 N ATOM 1913 CA ARG A 126 14.297 10.447 -35.566 1.00 0.00 C ATOM 1914 C ARG A 126 15.315 10.392 -34.431 1.00 0.00 C ATOM 1915 O ARG A 126 16.365 9.762 -34.556 1.00 0.00 O ATOM 1916 CB ARG A 126 15.020 10.570 -36.908 1.00 0.00 C ATOM 1917 CG ARG A 126 16.059 11.679 -36.942 1.00 0.00 C ATOM 1918 CD ARG A 126 17.007 11.519 -38.120 1.00 0.00 C ATOM 1919 NE ARG A 126 18.104 10.604 -37.820 1.00 0.00 N ATOM 1920 CZ ARG A 126 19.215 10.970 -37.189 1.00 0.00 C ATOM 1921 NH1 ARG A 126 19.373 12.226 -36.794 1.00 0.00 N ATOM 1922 NH2 ARG A 126 20.169 10.079 -36.952 1.00 0.00 N ATOM 0 H ARG A 126 13.612 12.396 -35.921 1.00 0.00 H new ATOM 0 HA ARG A 126 13.717 9.524 -35.557 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.506 9.622 -37.137 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.284 10.749 -37.692 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.559 12.646 -37.005 1.00 0.00 H new ATOM 0 HG3 ARG A 126 16.628 11.674 -36.012 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.453 11.150 -38.983 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.412 12.493 -38.394 1.00 0.00 H new ATOM 0 HE ARG A 126 18.013 9.630 -38.111 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.641 12.913 -36.974 1.00 0.00 H new ATOM 0 HH12 ARG A 126 20.226 12.505 -36.310 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.050 9.112 -37.254 1.00 0.00 H new ATOM 0 HH22 ARG A 126 21.021 10.361 -36.468 1.00 0.00 H new ATOM 1936 N GLU A 127 14.997 11.057 -33.324 1.00 0.00 N ATOM 1937 CA GLU A 127 15.885 11.084 -32.168 1.00 0.00 C ATOM 1938 C GLU A 127 15.205 10.477 -30.945 1.00 0.00 C ATOM 1939 O GLU A 127 15.842 9.799 -30.139 1.00 0.00 O ATOM 1940 CB GLU A 127 16.319 12.519 -31.864 1.00 0.00 C ATOM 1941 CG GLU A 127 17.644 12.611 -31.126 1.00 0.00 C ATOM 1942 CD GLU A 127 17.736 13.841 -30.243 1.00 0.00 C ATOM 1943 OE1 GLU A 127 17.576 14.962 -30.770 1.00 0.00 O ATOM 1944 OE2 GLU A 127 17.968 13.682 -29.026 1.00 0.00 O ATOM 0 H GLU A 127 14.132 11.584 -33.204 1.00 0.00 H new ATOM 0 HA GLU A 127 16.766 10.488 -32.405 1.00 0.00 H new ATOM 0 HB2 GLU A 127 16.395 13.073 -32.800 1.00 0.00 H new ATOM 0 HB3 GLU A 127 15.546 13.005 -31.268 1.00 0.00 H new ATOM 0 HG2 GLU A 127 17.778 11.719 -30.515 1.00 0.00 H new ATOM 0 HG3 GLU A 127 18.459 12.626 -31.850 1.00 0.00 H new ATOM 1951 N ALA A 128 13.906 10.725 -30.813 1.00 0.00 N ATOM 1952 CA ALA A 128 13.138 10.202 -29.690 1.00 0.00 C ATOM 1953 C ALA A 128 12.205 9.082 -30.137 1.00 0.00 C ATOM 1954 O ALA A 128 11.953 8.137 -29.390 1.00 0.00 O ATOM 1955 CB ALA A 128 12.346 11.319 -29.027 1.00 0.00 C ATOM 0 H ALA A 128 13.363 11.285 -31.470 1.00 0.00 H new ATOM 0 HA ALA A 128 13.838 9.788 -28.964 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.777 10.914 -28.190 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.031 12.085 -28.664 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.661 11.759 -29.752 1.00 0.00 H new ATOM 1961 N ASP A 129 11.695 9.196 -31.358 1.00 0.00 N ATOM 1962 CA ASP A 129 10.789 8.192 -31.905 1.00 0.00 C ATOM 1963 C ASP A 129 11.418 6.803 -31.847 1.00 0.00 C ATOM 1964 O ASP A 129 12.222 6.440 -32.706 1.00 0.00 O ATOM 1965 CB ASP A 129 10.420 8.539 -33.348 1.00 0.00 C ATOM 1966 CG ASP A 129 9.291 7.678 -33.880 1.00 0.00 C ATOM 1967 OD1 ASP A 129 8.488 7.183 -33.063 1.00 0.00 O ATOM 1968 OD2 ASP A 129 9.212 7.499 -35.114 1.00 0.00 O ATOM 0 H ASP A 129 11.893 9.973 -31.988 1.00 0.00 H new ATOM 0 HA ASP A 129 9.883 8.186 -31.298 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.130 9.588 -33.403 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.297 8.417 -33.984 1.00 0.00 H new ATOM 1973 N ILE A 130 11.047 6.033 -30.830 1.00 0.00 N ATOM 1974 CA ILE A 130 11.576 4.685 -30.661 1.00 0.00 C ATOM 1975 C ILE A 130 10.877 3.700 -31.593 1.00 0.00 C ATOM 1976 O ILE A 130 11.507 3.104 -32.467 1.00 0.00 O ATOM 1977 CB ILE A 130 11.421 4.198 -29.208 1.00 0.00 C ATOM 1978 CG1 ILE A 130 11.927 5.263 -28.233 1.00 0.00 C ATOM 1979 CG2 ILE A 130 12.168 2.889 -29.006 1.00 0.00 C ATOM 1980 CD1 ILE A 130 13.426 5.464 -28.283 1.00 0.00 C ATOM 0 H ILE A 130 10.383 6.319 -30.111 1.00 0.00 H new ATOM 0 HA ILE A 130 12.636 4.728 -30.910 1.00 0.00 H new ATOM 0 HB ILE A 130 10.363 4.024 -29.009 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.434 6.210 -28.454 1.00 0.00 H new ATOM 0 HG13 ILE A 130 11.640 4.982 -27.220 1.00 0.00 H new ATOM 0 HG21 ILE A 130 12.049 2.558 -27.974 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.765 2.132 -29.679 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.227 3.037 -29.220 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.714 6.233 -27.566 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.927 4.529 -28.033 1.00 0.00 H new ATOM 0 HD13 ILE A 130 13.718 5.775 -29.286 1.00 0.00 H new ATOM 1992 N ASP A 131 9.573 3.536 -31.401 1.00 0.00 N ATOM 1993 CA ASP A 131 8.788 2.626 -32.226 1.00 0.00 C ATOM 1994 C ASP A 131 9.068 2.857 -33.708 1.00 0.00 C ATOM 1995 O ASP A 131 9.244 1.908 -34.472 1.00 0.00 O ATOM 1996 CB ASP A 131 7.296 2.805 -31.943 1.00 0.00 C ATOM 1997 CG ASP A 131 7.012 3.064 -30.476 1.00 0.00 C ATOM 1998 OD1 ASP A 131 6.811 2.084 -29.728 1.00 0.00 O ATOM 1999 OD2 ASP A 131 6.993 4.247 -30.076 1.00 0.00 O ATOM 0 H ASP A 131 9.037 4.021 -30.681 1.00 0.00 H new ATOM 0 HA ASP A 131 9.078 1.606 -31.974 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.914 3.636 -32.536 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.759 1.912 -32.262 1.00 0.00 H new ATOM 2004 N GLY A 132 9.107 4.124 -34.107 1.00 0.00 N ATOM 2005 CA GLY A 132 9.364 4.457 -35.496 1.00 0.00 C ATOM 2006 C GLY A 132 8.090 4.618 -36.300 1.00 0.00 C ATOM 2007 O GLY A 132 7.969 4.079 -37.400 1.00 0.00 O ATOM 0 H GLY A 132 8.965 4.926 -33.493 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.939 5.382 -35.544 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.977 3.676 -35.946 1.00 0.00 H new ATOM 2011 N ASP A 133 7.135 5.361 -35.749 1.00 0.00 N ATOM 2012 CA ASP A 133 5.862 5.592 -36.422 1.00 0.00 C ATOM 2013 C ASP A 133 5.617 7.084 -36.624 1.00 0.00 C ATOM 2014 O ASP A 133 4.495 7.507 -36.901 1.00 0.00 O ATOM 2015 CB ASP A 133 4.717 4.978 -35.616 1.00 0.00 C ATOM 2016 CG ASP A 133 4.753 5.385 -34.156 1.00 0.00 C ATOM 2017 OD1 ASP A 133 5.813 5.862 -33.700 1.00 0.00 O ATOM 2018 OD2 ASP A 133 3.721 5.227 -33.470 1.00 0.00 O ATOM 0 H ASP A 133 7.219 5.813 -34.839 1.00 0.00 H new ATOM 0 HA ASP A 133 5.904 5.114 -37.401 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.766 5.283 -36.052 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.767 3.892 -35.689 1.00 0.00 H new ATOM 2023 N GLY A 134 6.674 7.877 -36.482 1.00 0.00 N ATOM 2024 CA GLY A 134 6.552 9.313 -36.650 1.00 0.00 C ATOM 2025 C GLY A 134 5.805 9.970 -35.507 1.00 0.00 C ATOM 2026 O GLY A 134 5.234 11.048 -35.669 1.00 0.00 O ATOM 0 H GLY A 134 7.613 7.551 -36.254 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.547 9.752 -36.730 1.00 0.00 H new ATOM 0 HA3 GLY A 134 6.035 9.523 -37.586 1.00 0.00 H new ATOM 2030 N GLN A 135 5.807 9.318 -34.349 1.00 0.00 N ATOM 2031 CA GLN A 135 5.122 9.845 -33.175 1.00 0.00 C ATOM 2032 C GLN A 135 6.039 9.830 -31.956 1.00 0.00 C ATOM 2033 O GLN A 135 7.000 9.063 -31.900 1.00 0.00 O ATOM 2034 CB GLN A 135 3.859 9.032 -32.887 1.00 0.00 C ATOM 2035 CG GLN A 135 3.016 8.760 -34.123 1.00 0.00 C ATOM 2036 CD GLN A 135 1.556 8.520 -33.793 1.00 0.00 C ATOM 2037 OE1 GLN A 135 0.741 9.442 -33.822 1.00 0.00 O ATOM 2038 NE2 GLN A 135 1.218 7.275 -33.476 1.00 0.00 N ATOM 0 H GLN A 135 6.275 8.424 -34.199 1.00 0.00 H new ATOM 0 HA GLN A 135 4.842 10.878 -33.383 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.144 8.082 -32.435 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.253 9.565 -32.154 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.096 9.606 -34.806 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.414 7.890 -34.645 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.927 6.541 -33.465 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.250 7.053 -33.244 1.00 0.00 H new ATOM 2047 N VAL A 136 5.735 10.682 -30.982 1.00 0.00 N ATOM 2048 CA VAL A 136 6.532 10.765 -29.764 1.00 0.00 C ATOM 2049 C VAL A 136 5.641 10.819 -28.527 1.00 0.00 C ATOM 2050 O VAL A 136 5.198 11.890 -28.115 1.00 0.00 O ATOM 2051 CB VAL A 136 7.448 12.003 -29.776 1.00 0.00 C ATOM 2052 CG1 VAL A 136 8.237 12.097 -28.479 1.00 0.00 C ATOM 2053 CG2 VAL A 136 8.383 11.961 -30.976 1.00 0.00 C ATOM 0 H VAL A 136 4.943 11.324 -31.013 1.00 0.00 H new ATOM 0 HA VAL A 136 7.148 9.866 -29.727 1.00 0.00 H new ATOM 0 HB VAL A 136 6.825 12.894 -29.859 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.878 12.978 -28.506 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.547 12.176 -27.639 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.851 11.204 -28.361 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.023 12.843 -30.969 1.00 0.00 H new ATOM 0 HG22 VAL A 136 9.000 11.064 -30.925 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.796 11.946 -31.894 1.00 0.00 H new ATOM 2063 N ASN A 137 5.383 9.655 -27.940 1.00 0.00 N ATOM 2064 CA ASN A 137 4.545 9.569 -26.749 1.00 0.00 C ATOM 2065 C ASN A 137 5.315 10.012 -25.509 1.00 0.00 C ATOM 2066 O ASN A 137 6.455 10.467 -25.602 1.00 0.00 O ATOM 2067 CB ASN A 137 4.034 8.139 -26.562 1.00 0.00 C ATOM 2068 CG ASN A 137 5.007 7.275 -25.783 1.00 0.00 C ATOM 2069 OD1 ASN A 137 4.798 6.997 -24.602 1.00 0.00 O ATOM 2070 ND2 ASN A 137 6.077 6.846 -26.442 1.00 0.00 N ATOM 0 H ASN A 137 5.742 8.759 -28.269 1.00 0.00 H new ATOM 0 HA ASN A 137 3.694 10.237 -26.885 1.00 0.00 H new ATOM 0 HB2 ASN A 137 3.077 8.163 -26.041 1.00 0.00 H new ATOM 0 HB3 ASN A 137 3.855 7.689 -27.539 1.00 0.00 H new ATOM 0 HD21 ASN A 137 6.766 6.261 -25.970 1.00 0.00 H new ATOM 0 HD22 ASN A 137 6.210 7.101 -27.421 1.00 0.00 H new ATOM 2077 N TYR A 138 4.683 9.877 -24.348 1.00 0.00 N ATOM 2078 CA TYR A 138 5.307 10.265 -23.089 1.00 0.00 C ATOM 2079 C TYR A 138 6.680 9.616 -22.938 1.00 0.00 C ATOM 2080 O TYR A 138 7.676 10.297 -22.696 1.00 0.00 O ATOM 2081 CB TYR A 138 4.414 9.873 -21.911 1.00 0.00 C ATOM 2082 CG TYR A 138 5.039 10.141 -20.561 1.00 0.00 C ATOM 2083 CD1 TYR A 138 4.995 11.408 -19.992 1.00 0.00 C ATOM 2084 CD2 TYR A 138 5.675 9.128 -19.854 1.00 0.00 C ATOM 2085 CE1 TYR A 138 5.566 11.658 -18.759 1.00 0.00 C ATOM 2086 CE2 TYR A 138 6.248 9.369 -18.620 1.00 0.00 C ATOM 2087 CZ TYR A 138 6.191 10.635 -18.077 1.00 0.00 C ATOM 2088 OH TYR A 138 6.761 10.879 -16.848 1.00 0.00 O ATOM 0 H TYR A 138 3.739 9.502 -24.253 1.00 0.00 H new ATOM 0 HA TYR A 138 5.435 11.347 -23.095 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.474 10.420 -21.981 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.173 8.813 -21.986 1.00 0.00 H new ATOM 0 HD1 TYR A 138 4.506 12.211 -20.523 1.00 0.00 H new ATOM 0 HD2 TYR A 138 5.722 8.135 -20.276 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.523 12.649 -18.332 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.738 8.570 -18.084 1.00 0.00 H new ATOM 0 HH TYR A 138 7.159 10.053 -16.502 1.00 0.00 H new ATOM 2098 N GLU A 139 6.723 8.296 -23.085 1.00 0.00 N ATOM 2099 CA GLU A 139 7.973 7.555 -22.965 1.00 0.00 C ATOM 2100 C GLU A 139 9.027 8.108 -23.920 1.00 0.00 C ATOM 2101 O GLU A 139 10.077 8.585 -23.493 1.00 0.00 O ATOM 2102 CB GLU A 139 7.740 6.069 -23.249 1.00 0.00 C ATOM 2103 CG GLU A 139 9.022 5.283 -23.467 1.00 0.00 C ATOM 2104 CD GLU A 139 9.444 5.247 -24.923 1.00 0.00 C ATOM 2105 OE1 GLU A 139 8.785 4.538 -25.713 1.00 0.00 O ATOM 2106 OE2 GLU A 139 10.432 5.925 -25.272 1.00 0.00 O ATOM 0 H GLU A 139 5.907 7.718 -23.287 1.00 0.00 H new ATOM 0 HA GLU A 139 8.337 7.669 -21.944 1.00 0.00 H new ATOM 0 HB2 GLU A 139 7.192 5.630 -22.415 1.00 0.00 H new ATOM 0 HB3 GLU A 139 7.109 5.971 -24.132 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.821 5.726 -22.872 1.00 0.00 H new ATOM 0 HG3 GLU A 139 8.884 4.263 -23.107 1.00 0.00 H new ATOM 2113 N GLU A 140 8.737 8.039 -25.216 1.00 0.00 N ATOM 2114 CA GLU A 140 9.660 8.531 -26.232 1.00 0.00 C ATOM 2115 C GLU A 140 10.063 9.975 -25.947 1.00 0.00 C ATOM 2116 O GLU A 140 11.191 10.382 -26.223 1.00 0.00 O ATOM 2117 CB GLU A 140 9.025 8.432 -27.621 1.00 0.00 C ATOM 2118 CG GLU A 140 8.616 7.020 -28.003 1.00 0.00 C ATOM 2119 CD GLU A 140 7.593 6.992 -29.123 1.00 0.00 C ATOM 2120 OE1 GLU A 140 7.837 7.639 -30.164 1.00 0.00 O ATOM 2121 OE2 GLU A 140 6.551 6.325 -28.959 1.00 0.00 O ATOM 0 H GLU A 140 7.871 7.648 -25.586 1.00 0.00 H new ATOM 0 HA GLU A 140 10.555 7.910 -26.205 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.148 9.078 -27.657 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.730 8.810 -28.361 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.500 6.460 -28.309 1.00 0.00 H new ATOM 0 HG3 GLU A 140 8.206 6.515 -27.128 1.00 0.00 H new ATOM 2128 N PHE A 141 9.132 10.744 -25.392 1.00 0.00 N ATOM 2129 CA PHE A 141 9.389 12.144 -25.070 1.00 0.00 C ATOM 2130 C PHE A 141 10.318 12.263 -23.866 1.00 0.00 C ATOM 2131 O PHE A 141 11.197 13.124 -23.828 1.00 0.00 O ATOM 2132 CB PHE A 141 8.074 12.874 -24.790 1.00 0.00 C ATOM 2133 CG PHE A 141 8.228 14.054 -23.874 1.00 0.00 C ATOM 2134 CD1 PHE A 141 9.107 15.079 -24.185 1.00 0.00 C ATOM 2135 CD2 PHE A 141 7.493 14.139 -22.702 1.00 0.00 C ATOM 2136 CE1 PHE A 141 9.251 16.166 -23.343 1.00 0.00 C ATOM 2137 CE2 PHE A 141 7.633 15.224 -21.857 1.00 0.00 C ATOM 2138 CZ PHE A 141 8.512 16.239 -22.178 1.00 0.00 C ATOM 0 H PHE A 141 8.193 10.422 -25.156 1.00 0.00 H new ATOM 0 HA PHE A 141 9.876 12.606 -25.929 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.646 13.210 -25.734 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.365 12.173 -24.350 1.00 0.00 H new ATOM 0 HD1 PHE A 141 9.686 15.028 -25.095 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.803 13.349 -22.446 1.00 0.00 H new ATOM 0 HE1 PHE A 141 9.941 16.958 -23.596 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.055 15.278 -20.946 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.622 17.088 -21.520 1.00 0.00 H new ATOM 2148 N VAL A 142 10.116 11.392 -22.882 1.00 0.00 N ATOM 2149 CA VAL A 142 10.934 11.399 -21.675 1.00 0.00 C ATOM 2150 C VAL A 142 12.405 11.170 -22.007 1.00 0.00 C ATOM 2151 O VAL A 142 13.275 11.918 -21.561 1.00 0.00 O ATOM 2152 CB VAL A 142 10.471 10.321 -20.677 1.00 0.00 C ATOM 2153 CG1 VAL A 142 11.431 10.235 -19.500 1.00 0.00 C ATOM 2154 CG2 VAL A 142 9.056 10.610 -20.200 1.00 0.00 C ATOM 0 H VAL A 142 9.393 10.673 -22.897 1.00 0.00 H new ATOM 0 HA VAL A 142 10.816 12.382 -21.218 1.00 0.00 H new ATOM 0 HB VAL A 142 10.470 9.357 -21.185 1.00 0.00 H new ATOM 0 HG11 VAL A 142 11.088 9.468 -18.806 1.00 0.00 H new ATOM 0 HG12 VAL A 142 12.427 9.978 -19.861 1.00 0.00 H new ATOM 0 HG13 VAL A 142 11.467 11.197 -18.989 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.745 9.839 -19.496 1.00 0.00 H new ATOM 0 HG22 VAL A 142 9.029 11.582 -19.708 1.00 0.00 H new ATOM 0 HG23 VAL A 142 8.378 10.616 -21.054 1.00 0.00 H new ATOM 2164 N GLN A 143 12.674 10.133 -22.793 1.00 0.00 N ATOM 2165 CA GLN A 143 14.040 9.806 -23.185 1.00 0.00 C ATOM 2166 C GLN A 143 14.768 11.043 -23.701 1.00 0.00 C ATOM 2167 O GLN A 143 15.898 11.322 -23.300 1.00 0.00 O ATOM 2168 CB GLN A 143 14.038 8.716 -24.258 1.00 0.00 C ATOM 2169 CG GLN A 143 13.376 7.423 -23.810 1.00 0.00 C ATOM 2170 CD GLN A 143 14.114 6.755 -22.666 1.00 0.00 C ATOM 2171 OE1 GLN A 143 13.835 7.016 -21.496 1.00 0.00 O ATOM 2172 NE2 GLN A 143 15.063 5.887 -23.000 1.00 0.00 N ATOM 0 H GLN A 143 11.965 9.505 -23.171 1.00 0.00 H new ATOM 0 HA GLN A 143 14.566 9.438 -22.304 1.00 0.00 H new ATOM 0 HB2 GLN A 143 13.524 9.090 -25.143 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.066 8.505 -24.552 1.00 0.00 H new ATOM 0 HG2 GLN A 143 12.351 7.631 -23.504 1.00 0.00 H new ATOM 0 HG3 GLN A 143 13.323 6.735 -24.654 1.00 0.00 H new ATOM 0 HE21 GLN A 143 15.261 5.701 -23.983 1.00 0.00 H new ATOM 0 HE22 GLN A 143 15.594 5.407 -22.273 1.00 0.00 H new ATOM 2181 N MET A 144 14.115 11.779 -24.594 1.00 0.00 N ATOM 2182 CA MET A 144 14.702 12.987 -25.164 1.00 0.00 C ATOM 2183 C MET A 144 15.192 13.924 -24.065 1.00 0.00 C ATOM 2184 O MET A 144 16.346 14.352 -24.071 1.00 0.00 O ATOM 2185 CB MET A 144 13.681 13.707 -26.047 1.00 0.00 C ATOM 2186 CG MET A 144 14.078 15.132 -26.396 1.00 0.00 C ATOM 2187 SD MET A 144 12.786 16.013 -27.294 1.00 0.00 S ATOM 2188 CE MET A 144 12.132 17.065 -26.001 1.00 0.00 C ATOM 0 H MET A 144 13.180 11.561 -24.939 1.00 0.00 H new ATOM 0 HA MET A 144 15.556 12.694 -25.774 1.00 0.00 H new ATOM 0 HB2 MET A 144 13.546 13.140 -26.968 1.00 0.00 H new ATOM 0 HB3 MET A 144 12.718 13.721 -25.537 1.00 0.00 H new ATOM 0 HG2 MET A 144 14.313 15.674 -25.480 1.00 0.00 H new ATOM 0 HG3 MET A 144 14.986 15.115 -26.998 1.00 0.00 H new ATOM 0 HE1 MET A 144 11.358 17.711 -26.415 1.00 0.00 H new ATOM 0 HE2 MET A 144 11.705 16.448 -25.211 1.00 0.00 H new ATOM 0 HE3 MET A 144 12.934 17.677 -25.589 1.00 0.00 H new ATOM 2198 N MET A 145 14.308 14.239 -23.124 1.00 0.00 N ATOM 2199 CA MET A 145 14.653 15.125 -22.018 1.00 0.00 C ATOM 2200 C MET A 145 15.855 14.589 -21.246 1.00 0.00 C ATOM 2201 O MET A 145 16.753 15.344 -20.872 1.00 0.00 O ATOM 2202 CB MET A 145 13.459 15.288 -21.076 1.00 0.00 C ATOM 2203 CG MET A 145 12.229 15.874 -21.750 1.00 0.00 C ATOM 2204 SD MET A 145 12.562 17.457 -22.548 1.00 0.00 S ATOM 2205 CE MET A 145 12.741 18.525 -21.121 1.00 0.00 C ATOM 0 H MET A 145 13.348 13.894 -23.105 1.00 0.00 H new ATOM 0 HA MET A 145 14.915 16.098 -22.433 1.00 0.00 H new ATOM 0 HB2 MET A 145 13.204 14.316 -20.655 1.00 0.00 H new ATOM 0 HB3 MET A 145 13.748 15.930 -20.244 1.00 0.00 H new ATOM 0 HG2 MET A 145 11.856 15.169 -22.492 1.00 0.00 H new ATOM 0 HG3 MET A 145 11.440 16.004 -21.009 1.00 0.00 H new ATOM 0 HE1 MET A 145 12.827 19.561 -21.450 1.00 0.00 H new ATOM 0 HE2 MET A 145 11.868 18.420 -20.476 1.00 0.00 H new ATOM 0 HE3 MET A 145 13.637 18.245 -20.567 1.00 0.00 H new ATOM 2215 N THR A 146 15.866 13.281 -21.011 1.00 0.00 N ATOM 2216 CA THR A 146 16.957 12.644 -20.282 1.00 0.00 C ATOM 2217 C THR A 146 17.987 12.057 -21.239 1.00 0.00 C ATOM 2218 O THR A 146 18.499 10.960 -21.017 1.00 0.00 O ATOM 2219 CB THR A 146 16.438 11.528 -19.356 1.00 0.00 C ATOM 2220 OG1 THR A 146 15.845 10.482 -20.134 1.00 0.00 O ATOM 2221 CG2 THR A 146 15.416 12.075 -18.370 1.00 0.00 C ATOM 0 H THR A 146 15.132 12.641 -21.315 1.00 0.00 H new ATOM 0 HA THR A 146 17.427 13.418 -19.676 1.00 0.00 H new ATOM 0 HB THR A 146 17.283 11.129 -18.795 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.013 10.806 -20.537 1.00 0.00 H new ATOM 0 HG21 THR A 146 15.064 11.269 -17.727 1.00 0.00 H new ATOM 0 HG22 THR A 146 15.878 12.851 -17.760 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.573 12.498 -18.917 1.00 0.00 H new