USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1062 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 86 THR OG1 : rot -121:sc= -0.0177 USER MOD Set 1.2: A 102 MET CE :methyl 165:sc= -1.03 (180deg=-1.66) USER MOD Set 2.1: A 47 GLN : amide:sc= 0.638 K(o=0.97,f=0) USER MOD Set 2.2: A 52 GLN : amide:sc= 0.327 K(o=0.97,f=0.33) USER MOD Single : A 24 SER OG : rot 27:sc= 0.057 USER MOD Single : A 30 THR OG1 : rot -32:sc= 0.0383 USER MOD Single : A 32 ASN : amide:sc= 0.917 K(o=0.92,f=-0.06) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.35) USER MOD Single : A 74 ASN : amide:sc= 0.964 K(o=0.96,f=-0.097) USER MOD Single : A 79 GLN : amide:sc= 0.657 K(o=0.66,f=-0.0014) USER MOD Single : A 92 GLN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.864 K(o=-0.86,f=-1.7) USER MOD Single : A 101 SER OG : rot -130:sc= 0.00165 USER MOD Single : A 104 THR OG1 : rot 160:sc= 0.0666 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 33:sc= 0.0667 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 124 HIS : no HE2:sc= -0.0964 K(o=-0.096,f=-1.4) USER MOD Single : A 133 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 SER OG : rot -88:sc= 0.00984 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.1) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0.0531 USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 24 15.976 6.751 -8.290 1.00 0.00 N ATOM 139 CA SER A 24 14.990 7.441 -7.431 1.00 0.00 C ATOM 140 C SER A 24 14.847 8.957 -7.682 1.00 0.00 C ATOM 141 O SER A 24 14.357 9.700 -6.809 1.00 0.00 O ATOM 142 CB SER A 24 15.251 7.106 -5.958 1.00 0.00 C ATOM 143 OG SER A 24 15.124 5.703 -5.732 1.00 0.00 O ATOM 0 HA SER A 24 14.013 7.051 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 24 16.251 7.436 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.547 7.647 -5.326 1.00 0.00 H new ATOM 0 HG SER A 24 15.331 5.218 -6.558 1.00 0.00 H new ATOM 149 N GLY A 25 15.256 9.449 -8.848 1.00 0.00 N ATOM 150 CA GLY A 25 15.239 10.871 -9.251 1.00 0.00 C ATOM 151 C GLY A 25 14.085 11.271 -10.168 1.00 0.00 C ATOM 152 O GLY A 25 13.319 10.431 -10.632 1.00 0.00 O ATOM 0 H GLY A 25 15.629 8.845 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.199 11.487 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.178 11.101 -9.753 1.00 0.00 H new ATOM 156 N VAL A 26 14.000 12.567 -10.446 1.00 0.00 N ATOM 157 CA VAL A 26 13.056 13.175 -11.405 1.00 0.00 C ATOM 158 C VAL A 26 13.550 13.061 -12.861 1.00 0.00 C ATOM 159 O VAL A 26 14.749 13.019 -13.107 1.00 0.00 O ATOM 160 CB VAL A 26 12.777 14.671 -11.083 1.00 0.00 C ATOM 161 CG1 VAL A 26 11.989 14.819 -9.768 1.00 0.00 C ATOM 162 CG2 VAL A 26 14.057 15.529 -11.026 1.00 0.00 C ATOM 0 H VAL A 26 14.604 13.257 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 26 12.130 12.610 -11.301 1.00 0.00 H new ATOM 0 HB VAL A 26 12.174 15.045 -11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.809 15.875 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.035 14.298 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.564 14.388 -8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.793 16.562 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.719 15.144 -10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.565 15.489 -11.990 1.00 0.00 H new ATOM 172 N ASP A 27 12.610 13.055 -13.817 1.00 0.00 N ATOM 173 CA ASP A 27 12.909 12.968 -15.257 1.00 0.00 C ATOM 174 C ASP A 27 13.396 14.303 -15.860 1.00 0.00 C ATOM 175 O ASP A 27 14.013 14.296 -16.945 1.00 0.00 O ATOM 176 CB ASP A 27 11.649 12.446 -15.963 1.00 0.00 C ATOM 177 CG ASP A 27 11.862 12.177 -17.470 1.00 0.00 C ATOM 178 OD1 ASP A 27 11.202 12.848 -18.301 1.00 0.00 O ATOM 179 OD2 ASP A 27 12.652 11.265 -17.817 1.00 0.00 O1- ATOM 0 H ASP A 27 11.612 13.111 -13.613 1.00 0.00 H new ATOM 0 HA ASP A 27 13.742 12.281 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.324 11.525 -15.479 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.845 13.171 -15.840 1.00 0.00 H new ATOM 184 N LEU A 28 13.190 15.430 -15.180 1.00 0.00 N ATOM 185 CA LEU A 28 13.637 16.782 -15.588 1.00 0.00 C ATOM 186 C LEU A 28 13.671 17.836 -14.468 1.00 0.00 C ATOM 187 O LEU A 28 14.469 18.777 -14.560 1.00 0.00 O ATOM 188 CB LEU A 28 12.793 17.298 -16.780 1.00 0.00 C ATOM 189 CG LEU A 28 11.268 17.406 -16.533 1.00 0.00 C ATOM 190 CD1 LEU A 28 10.716 18.727 -17.086 1.00 0.00 C ATOM 191 CD2 LEU A 28 10.511 16.240 -17.177 1.00 0.00 C ATOM 0 H LEU A 28 12.688 15.438 -14.292 1.00 0.00 H new ATOM 0 HA LEU A 28 14.678 16.649 -15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.166 18.282 -17.065 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.958 16.636 -17.630 1.00 0.00 H new ATOM 0 HG LEU A 28 11.118 17.372 -15.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.643 18.779 -16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.211 19.563 -16.592 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.901 18.778 -18.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.444 16.348 -16.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.687 16.242 -18.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.863 15.299 -16.753 1.00 0.00 H new ATOM 203 N GLY A 29 12.822 17.727 -13.443 1.00 0.00 N ATOM 204 CA GLY A 29 12.617 18.766 -12.420 1.00 0.00 C ATOM 205 C GLY A 29 11.153 18.897 -12.017 1.00 0.00 C ATOM 206 O GLY A 29 10.706 18.190 -11.089 1.00 0.00 O ATOM 0 H GLY A 29 12.245 16.899 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.215 18.529 -11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.974 19.723 -12.800 1.00 0.00 H new ATOM 210 N THR A 30 10.395 19.751 -12.697 1.00 0.00 N ATOM 211 CA THR A 30 8.986 20.110 -12.391 1.00 0.00 C ATOM 212 C THR A 30 7.989 18.940 -12.449 1.00 0.00 C ATOM 213 O THR A 30 6.892 19.050 -11.930 1.00 0.00 O ATOM 214 CB THR A 30 8.563 21.303 -13.263 1.00 0.00 C ATOM 215 OG1 THR A 30 7.430 21.932 -12.710 1.00 0.00 O ATOM 216 CG2 THR A 30 8.247 20.923 -14.713 1.00 0.00 C ATOM 0 H THR A 30 10.749 20.243 -13.518 1.00 0.00 H new ATOM 0 HA THR A 30 8.954 20.403 -11.341 1.00 0.00 H new ATOM 0 HB THR A 30 9.420 21.976 -13.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.871 21.264 -12.261 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.956 21.815 -15.268 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.130 20.481 -15.174 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.429 20.202 -14.730 1.00 0.00 H new ATOM 224 N GLU A 31 8.393 17.778 -12.990 1.00 0.00 N ATOM 225 CA GLU A 31 7.648 16.513 -12.871 1.00 0.00 C ATOM 226 C GLU A 31 7.285 16.154 -11.412 1.00 0.00 C ATOM 227 O GLU A 31 6.262 15.510 -11.175 1.00 0.00 O ATOM 228 CB GLU A 31 8.455 15.364 -13.516 1.00 0.00 C ATOM 229 CG GLU A 31 7.823 14.848 -14.816 1.00 0.00 C ATOM 230 CD GLU A 31 6.482 14.133 -14.585 1.00 0.00 C ATOM 231 OE1 GLU A 31 6.470 13.053 -13.948 1.00 0.00 O ATOM 232 OE2 GLU A 31 5.439 14.619 -15.079 1.00 0.00 O1- ATOM 0 H GLU A 31 9.255 17.690 -13.528 1.00 0.00 H new ATOM 0 HA GLU A 31 6.705 16.652 -13.401 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.468 15.709 -13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.537 14.541 -12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.670 15.685 -15.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.516 14.162 -15.304 1.00 0.00 H new ATOM 239 N ASN A 32 8.062 16.618 -10.420 1.00 0.00 N ATOM 240 CA ASN A 32 7.741 16.423 -9.000 1.00 0.00 C ATOM 241 C ASN A 32 6.417 17.088 -8.551 1.00 0.00 C ATOM 242 O ASN A 32 5.875 16.727 -7.503 1.00 0.00 O ATOM 243 CB ASN A 32 8.919 16.854 -8.108 1.00 0.00 C ATOM 244 CG ASN A 32 8.943 18.350 -7.794 1.00 0.00 C ATOM 245 OD1 ASN A 32 8.374 18.807 -6.811 1.00 0.00 O ATOM 246 ND2 ASN A 32 9.585 19.157 -8.619 1.00 0.00 N ATOM 0 H ASN A 32 8.926 17.136 -10.580 1.00 0.00 H new ATOM 0 HA ASN A 32 7.577 15.352 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.876 16.297 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.853 16.581 -8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.607 20.160 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.059 18.777 -9.438 1.00 0.00 H new ATOM 253 N LEU A 33 5.865 18.029 -9.330 1.00 0.00 N ATOM 254 CA LEU A 33 4.575 18.674 -9.051 1.00 0.00 C ATOM 255 C LEU A 33 3.392 17.710 -9.258 1.00 0.00 C ATOM 256 O LEU A 33 2.399 17.773 -8.534 1.00 0.00 O ATOM 257 CB LEU A 33 4.452 19.914 -9.958 1.00 0.00 C ATOM 258 CG LEU A 33 3.509 20.995 -9.400 1.00 0.00 C ATOM 259 CD1 LEU A 33 4.187 21.775 -8.256 1.00 0.00 C ATOM 260 CD2 LEU A 33 3.113 21.971 -10.516 1.00 0.00 C ATOM 0 H LEU A 33 6.309 18.368 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 33 4.540 18.973 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.442 20.347 -10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.093 19.602 -10.939 1.00 0.00 H new ATOM 0 HG LEU A 33 2.618 20.502 -9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.502 22.534 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.448 21.087 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.091 22.256 -8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.446 22.733 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.008 22.447 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.604 21.427 -11.312 1.00 0.00 H new ATOM 272 N TYR A 34 3.516 16.789 -10.218 1.00 0.00 N ATOM 273 CA TYR A 34 2.514 15.766 -10.553 1.00 0.00 C ATOM 274 C TYR A 34 2.691 14.457 -9.753 1.00 0.00 C ATOM 275 O TYR A 34 1.837 13.570 -9.813 1.00 0.00 O ATOM 276 CB TYR A 34 2.588 15.495 -12.064 1.00 0.00 C ATOM 277 CG TYR A 34 2.342 16.726 -12.919 1.00 0.00 C ATOM 278 CD1 TYR A 34 3.428 17.477 -13.411 1.00 0.00 C ATOM 279 CD2 TYR A 34 1.024 17.139 -13.195 1.00 0.00 C ATOM 280 CE1 TYR A 34 3.203 18.639 -14.173 1.00 0.00 C ATOM 281 CE2 TYR A 34 0.790 18.299 -13.958 1.00 0.00 C ATOM 282 CZ TYR A 34 1.879 19.054 -14.449 1.00 0.00 C ATOM 283 OH TYR A 34 1.648 20.178 -15.184 1.00 0.00 O ATOM 0 H TYR A 34 4.347 16.731 -10.807 1.00 0.00 H new ATOM 0 HA TYR A 34 1.531 16.148 -10.277 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.570 15.088 -12.303 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.855 14.731 -12.323 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.439 17.159 -13.202 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.190 16.564 -12.820 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.039 19.212 -14.546 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.222 18.612 -14.168 1.00 0.00 H new ATOM 0 HH TYR A 34 0.682 20.315 -15.278 1.00 0.00 H new ATOM 293 N PHE A 35 3.791 14.334 -8.999 1.00 0.00 N ATOM 294 CA PHE A 35 4.176 13.130 -8.256 1.00 0.00 C ATOM 295 C PHE A 35 3.194 12.790 -7.120 1.00 0.00 C ATOM 296 O PHE A 35 2.861 11.612 -6.967 1.00 0.00 O ATOM 297 CB PHE A 35 5.655 13.275 -7.812 1.00 0.00 C ATOM 298 CG PHE A 35 6.015 13.018 -6.356 1.00 0.00 C ATOM 299 CD1 PHE A 35 5.738 13.994 -5.380 1.00 0.00 C ATOM 300 CD2 PHE A 35 6.720 11.853 -5.984 1.00 0.00 C ATOM 301 CE1 PHE A 35 6.122 13.795 -4.043 1.00 0.00 C ATOM 302 CE2 PHE A 35 7.109 11.657 -4.648 1.00 0.00 C ATOM 303 CZ PHE A 35 6.804 12.622 -3.674 1.00 0.00 C ATOM 0 H PHE A 35 4.459 15.096 -8.887 1.00 0.00 H new ATOM 0 HA PHE A 35 4.109 12.258 -8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.250 12.597 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.975 14.288 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.226 14.903 -5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.961 11.109 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.893 14.543 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.644 10.761 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.092 12.464 -2.645 1.00 0.00 H new ATOM 313 N GLN A 36 2.700 13.805 -6.393 1.00 0.00 N ATOM 314 CA GLN A 36 1.745 13.711 -5.273 1.00 0.00 C ATOM 315 C GLN A 36 1.990 12.458 -4.404 1.00 0.00 C ATOM 316 O GLN A 36 3.080 12.320 -3.846 1.00 0.00 O ATOM 317 CB GLN A 36 0.303 13.867 -5.810 1.00 0.00 C ATOM 318 CG GLN A 36 -0.004 15.263 -6.397 1.00 0.00 C ATOM 319 CD GLN A 36 -0.067 16.400 -5.363 1.00 0.00 C ATOM 320 OE1 GLN A 36 0.098 16.221 -4.162 1.00 0.00 O ATOM 321 NE2 GLN A 36 -0.316 17.624 -5.787 1.00 0.00 N ATOM 0 H GLN A 36 2.971 14.770 -6.581 1.00 0.00 H new ATOM 0 HA GLN A 36 1.906 14.536 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.130 13.115 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.399 13.662 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.759 15.506 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.957 15.218 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.457 17.800 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.367 18.394 -5.120 1.00 0.00 H new ATOM 330 N SER A 37 1.031 11.542 -4.271 1.00 0.00 N ATOM 331 CA SER A 37 1.261 10.203 -3.695 1.00 0.00 C ATOM 332 C SER A 37 1.411 9.086 -4.746 1.00 0.00 C ATOM 333 O SER A 37 1.937 8.020 -4.429 1.00 0.00 O ATOM 334 CB SER A 37 0.137 9.854 -2.706 1.00 0.00 C ATOM 335 OG SER A 37 0.541 10.130 -1.370 1.00 0.00 O ATOM 0 H SER A 37 0.066 11.702 -4.559 1.00 0.00 H new ATOM 0 HA SER A 37 2.218 10.257 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.758 10.428 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.125 8.800 -2.802 1.00 0.00 H new ATOM 0 HG SER A 37 -0.187 9.903 -0.755 1.00 0.00 H new ATOM 341 N MET A 38 1.015 9.315 -6.005 1.00 0.00 N ATOM 342 CA MET A 38 1.026 8.297 -7.062 1.00 0.00 C ATOM 343 C MET A 38 2.450 7.883 -7.434 1.00 0.00 C ATOM 344 O MET A 38 2.777 6.701 -7.373 1.00 0.00 O ATOM 345 CB MET A 38 0.265 8.796 -8.304 1.00 0.00 C ATOM 346 CG MET A 38 -1.267 8.734 -8.165 1.00 0.00 C ATOM 347 SD MET A 38 -2.024 9.797 -6.906 1.00 0.00 S ATOM 348 CE MET A 38 -2.296 8.569 -5.605 1.00 0.00 C ATOM 0 H MET A 38 0.674 10.223 -6.321 1.00 0.00 H new ATOM 0 HA MET A 38 0.518 7.415 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.560 9.825 -8.509 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.566 8.200 -9.166 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.705 8.988 -9.130 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.546 7.703 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.760 9.049 -4.743 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.951 7.782 -5.979 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.341 8.135 -5.309 1.00 0.00 H new ATOM 358 N ARG A 39 3.348 8.827 -7.731 1.00 0.00 N ATOM 359 CA ARG A 39 4.766 8.495 -7.939 1.00 0.00 C ATOM 360 C ARG A 39 5.474 8.120 -6.631 1.00 0.00 C ATOM 361 O ARG A 39 6.358 7.269 -6.660 1.00 0.00 O ATOM 362 CB ARG A 39 5.502 9.620 -8.674 1.00 0.00 C ATOM 363 CG ARG A 39 5.095 9.732 -10.154 1.00 0.00 C ATOM 364 CD ARG A 39 6.220 10.398 -10.964 1.00 0.00 C ATOM 365 NE ARG A 39 5.838 10.773 -12.337 1.00 0.00 N ATOM 366 CZ ARG A 39 5.410 10.012 -13.337 1.00 0.00 C ATOM 367 NH1 ARG A 39 5.145 8.727 -13.217 1.00 0.00 N1+ ATOM 368 NH2 ARG A 39 5.259 10.585 -14.504 1.00 0.00 N ATOM 0 H ARG A 39 3.125 9.817 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 39 4.793 7.610 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.300 10.567 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.576 9.448 -8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.884 8.741 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.178 10.315 -10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.553 11.291 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.071 9.718 -11.009 1.00 0.00 H new ATOM 0 HE ARG A 39 5.914 11.767 -12.551 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.266 8.263 -12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.819 8.196 -14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.468 11.577 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.932 10.039 -15.302 1.00 0.00 H new ATOM 382 N ALA A 40 5.048 8.648 -5.477 1.00 0.00 N ATOM 383 CA ALA A 40 5.605 8.274 -4.167 1.00 0.00 C ATOM 384 C ALA A 40 5.458 6.771 -3.843 1.00 0.00 C ATOM 385 O ALA A 40 6.215 6.251 -3.020 1.00 0.00 O ATOM 386 CB ALA A 40 4.957 9.142 -3.082 1.00 0.00 C ATOM 0 H ALA A 40 4.307 9.347 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 40 6.679 8.457 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.364 8.871 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.166 10.193 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.879 8.980 -3.082 1.00 0.00 H new ATOM 392 N GLN A 41 4.528 6.067 -4.494 1.00 0.00 N ATOM 393 CA GLN A 41 4.385 4.609 -4.416 1.00 0.00 C ATOM 394 C GLN A 41 4.838 3.877 -5.697 1.00 0.00 C ATOM 395 O GLN A 41 5.507 2.850 -5.586 1.00 0.00 O ATOM 396 CB GLN A 41 2.943 4.282 -4.000 1.00 0.00 C ATOM 397 CG GLN A 41 1.868 4.629 -5.047 1.00 0.00 C ATOM 398 CD GLN A 41 0.430 4.570 -4.535 1.00 0.00 C ATOM 399 OE1 GLN A 41 0.140 4.737 -3.362 1.00 0.00 O ATOM 400 NE2 GLN A 41 -0.534 4.331 -5.402 1.00 0.00 N ATOM 0 H GLN A 41 3.837 6.504 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 41 5.066 4.228 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.879 3.218 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.717 4.817 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.062 5.632 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.967 3.944 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.310 4.189 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.503 4.288 -5.088 1.00 0.00 H new ATOM 409 N LEU A 42 4.550 4.397 -6.904 1.00 0.00 N ATOM 410 CA LEU A 42 4.967 3.770 -8.170 1.00 0.00 C ATOM 411 C LEU A 42 6.490 3.746 -8.335 1.00 0.00 C ATOM 412 O LEU A 42 7.036 2.746 -8.788 1.00 0.00 O ATOM 413 CB LEU A 42 4.315 4.488 -9.378 1.00 0.00 C ATOM 414 CG LEU A 42 3.007 3.881 -9.927 1.00 0.00 C ATOM 415 CD1 LEU A 42 3.268 2.542 -10.635 1.00 0.00 C ATOM 416 CD2 LEU A 42 1.916 3.708 -8.864 1.00 0.00 C ATOM 0 H LEU A 42 4.023 5.261 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 42 4.624 2.736 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.116 5.521 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.043 4.516 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 42 2.632 4.606 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.327 2.140 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.954 2.698 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.708 1.837 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.026 3.276 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.276 3.045 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.668 4.679 -8.435 1.00 0.00 H new ATOM 428 N ILE A 43 7.194 4.822 -7.966 1.00 0.00 N ATOM 429 CA ILE A 43 8.662 4.914 -8.086 1.00 0.00 C ATOM 430 C ILE A 43 9.346 4.094 -6.983 1.00 0.00 C ATOM 431 O ILE A 43 10.287 3.362 -7.273 1.00 0.00 O ATOM 432 CB ILE A 43 9.097 6.403 -8.103 1.00 0.00 C ATOM 433 CG1 ILE A 43 8.397 7.217 -9.221 1.00 0.00 C ATOM 434 CG2 ILE A 43 10.624 6.576 -8.226 1.00 0.00 C ATOM 435 CD1 ILE A 43 8.559 6.697 -10.650 1.00 0.00 C ATOM 0 H ILE A 43 6.764 5.660 -7.574 1.00 0.00 H new ATOM 0 HA ILE A 43 8.984 4.478 -9.032 1.00 0.00 H new ATOM 0 HB ILE A 43 8.781 6.797 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.332 7.262 -8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.774 8.239 -9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.870 7.638 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.114 6.095 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.969 6.117 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.024 7.352 -11.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.617 6.680 -10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.152 5.688 -10.718 1.00 0.00 H new ATOM 447 N GLU A 44 8.816 4.141 -5.756 1.00 0.00 N ATOM 448 CA GLU A 44 9.337 3.440 -4.572 1.00 0.00 C ATOM 449 C GLU A 44 9.452 1.916 -4.757 1.00 0.00 C ATOM 450 O GLU A 44 10.323 1.296 -4.134 1.00 0.00 O ATOM 451 CB GLU A 44 8.433 3.790 -3.374 1.00 0.00 C ATOM 452 CG GLU A 44 8.791 3.138 -2.026 1.00 0.00 C ATOM 453 CD GLU A 44 10.199 3.482 -1.503 1.00 0.00 C ATOM 454 OE1 GLU A 44 10.702 4.604 -1.750 1.00 0.00 O ATOM 455 OE2 GLU A 44 10.794 2.646 -0.782 1.00 0.00 O1- ATOM 0 H GLU A 44 7.980 4.689 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 44 10.359 3.778 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.445 4.872 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.410 3.511 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.056 3.445 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.709 2.056 -2.127 1.00 0.00 H new ATOM 462 N ARG A 45 8.633 1.307 -5.620 1.00 0.00 N ATOM 463 CA ARG A 45 8.782 -0.095 -6.045 1.00 0.00 C ATOM 464 C ARG A 45 9.330 -0.221 -7.473 1.00 0.00 C ATOM 465 O ARG A 45 10.234 -1.023 -7.719 1.00 0.00 O ATOM 466 CB ARG A 45 7.428 -0.804 -5.869 1.00 0.00 C ATOM 467 CG ARG A 45 7.453 -2.328 -6.092 1.00 0.00 C ATOM 468 CD ARG A 45 8.601 -3.086 -5.403 1.00 0.00 C ATOM 469 NE ARG A 45 8.738 -2.773 -3.968 1.00 0.00 N ATOM 470 CZ ARG A 45 9.869 -2.786 -3.267 1.00 0.00 C ATOM 471 NH1 ARG A 45 11.025 -3.120 -3.802 1.00 0.00 N1+ ATOM 472 NH2 ARG A 45 9.856 -2.463 -1.992 1.00 0.00 N ATOM 0 H ARG A 45 7.837 1.777 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 45 9.526 -0.583 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.060 -0.606 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.712 -0.363 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.508 -2.743 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.508 -2.519 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.439 -4.158 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.537 -2.849 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 45 7.886 -2.523 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.075 -3.381 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.871 -3.118 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.979 -2.203 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.723 -2.473 -1.455 1.00 0.00 H new ATOM 486 N GLY A 46 8.830 0.581 -8.418 1.00 0.00 N ATOM 487 CA GLY A 46 9.116 0.449 -9.852 1.00 0.00 C ATOM 488 C GLY A 46 10.533 0.851 -10.248 1.00 0.00 C ATOM 489 O GLY A 46 11.111 0.199 -11.111 1.00 0.00 O ATOM 0 H GLY A 46 8.202 1.356 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.947 -0.586 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.408 1.061 -10.410 1.00 0.00 H new ATOM 493 N GLN A 47 11.113 1.877 -9.621 1.00 0.00 N ATOM 494 CA GLN A 47 12.495 2.313 -9.871 1.00 0.00 C ATOM 495 C GLN A 47 13.501 1.527 -9.006 1.00 0.00 C ATOM 496 O GLN A 47 14.662 1.391 -9.393 1.00 0.00 O ATOM 497 CB GLN A 47 12.572 3.828 -9.614 1.00 0.00 C ATOM 498 CG GLN A 47 13.868 4.546 -10.035 1.00 0.00 C ATOM 499 CD GLN A 47 13.999 4.810 -11.545 1.00 0.00 C ATOM 500 OE1 GLN A 47 13.666 5.873 -12.051 1.00 0.00 O ATOM 501 NE2 GLN A 47 14.469 3.869 -12.336 1.00 0.00 N ATOM 0 H GLN A 47 10.633 2.437 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 47 12.769 2.107 -10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.739 4.302 -10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.422 3.998 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.927 5.498 -9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.720 3.948 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.756 2.971 -11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.547 4.038 -13.339 1.00 0.00 H new ATOM 510 N LEU A 48 13.065 0.965 -7.869 1.00 0.00 N ATOM 511 CA LEU A 48 13.874 0.062 -7.042 1.00 0.00 C ATOM 512 C LEU A 48 14.085 -1.299 -7.725 1.00 0.00 C ATOM 513 O LEU A 48 15.175 -1.861 -7.640 1.00 0.00 O ATOM 514 CB LEU A 48 13.216 -0.092 -5.651 1.00 0.00 C ATOM 515 CG LEU A 48 13.631 0.962 -4.593 1.00 0.00 C ATOM 516 CD1 LEU A 48 15.072 0.757 -4.129 1.00 0.00 C ATOM 517 CD2 LEU A 48 13.433 2.413 -5.066 1.00 0.00 C ATOM 0 H LEU A 48 12.130 1.128 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 48 14.865 0.498 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.134 -0.050 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.455 -1.083 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 48 12.959 0.804 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.327 1.514 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.174 -0.233 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.745 0.844 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.743 3.098 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.034 2.590 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.381 2.580 -5.299 1.00 0.00 H new ATOM 529 N ILE A 49 13.072 -1.815 -8.436 1.00 0.00 N ATOM 530 CA ILE A 49 13.209 -3.006 -9.302 1.00 0.00 C ATOM 531 C ILE A 49 13.891 -2.650 -10.635 1.00 0.00 C ATOM 532 O ILE A 49 14.839 -3.333 -11.039 1.00 0.00 O ATOM 533 CB ILE A 49 11.826 -3.679 -9.512 1.00 0.00 C ATOM 534 CG1 ILE A 49 11.314 -4.267 -8.178 1.00 0.00 C ATOM 535 CG2 ILE A 49 11.904 -4.789 -10.579 1.00 0.00 C ATOM 536 CD1 ILE A 49 9.854 -4.732 -8.222 1.00 0.00 C ATOM 0 H ILE A 49 12.131 -1.421 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 49 13.856 -3.728 -8.804 1.00 0.00 H new ATOM 0 HB ILE A 49 11.129 -2.917 -9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.945 -5.111 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.422 -3.515 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.921 -5.242 -10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.230 -4.360 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.617 -5.550 -10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.570 -5.132 -7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.211 -3.888 -8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.742 -5.508 -8.979 1.00 0.00 H new ATOM 548 N ALA A 50 13.416 -1.609 -11.326 1.00 0.00 N ATOM 549 CA ALA A 50 13.753 -1.302 -12.712 1.00 0.00 C ATOM 550 C ALA A 50 13.545 0.206 -13.015 1.00 0.00 C ATOM 551 O ALA A 50 14.331 1.030 -12.546 1.00 0.00 O ATOM 552 CB ALA A 50 12.963 -2.254 -13.628 1.00 0.00 C ATOM 0 H ALA A 50 12.765 -0.937 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 50 14.812 -1.474 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.202 -2.039 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.232 -3.285 -13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.895 -2.113 -13.465 1.00 0.00 H new ATOM 558 N GLU A 51 12.517 0.565 -13.788 1.00 0.00 N ATOM 559 CA GLU A 51 12.271 1.912 -14.306 1.00 0.00 C ATOM 560 C GLU A 51 10.840 2.043 -14.856 1.00 0.00 C ATOM 561 O GLU A 51 10.619 1.778 -16.039 1.00 0.00 O ATOM 562 CB GLU A 51 13.311 2.209 -15.394 1.00 0.00 C ATOM 563 CG GLU A 51 13.241 3.619 -15.972 1.00 0.00 C ATOM 564 CD GLU A 51 14.050 3.766 -17.274 1.00 0.00 C ATOM 565 OE1 GLU A 51 15.013 2.982 -17.437 1.00 0.00 O ATOM 566 OE2 GLU A 51 13.754 4.609 -18.158 1.00 0.00 O1- ATOM 0 H GLU A 51 11.804 -0.103 -14.082 1.00 0.00 H new ATOM 0 HA GLU A 51 12.366 2.638 -13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.306 2.049 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.184 1.492 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.200 3.878 -16.164 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.615 4.329 -15.234 1.00 0.00 H new ATOM 573 N GLN A 52 9.886 2.442 -13.997 1.00 0.00 N ATOM 574 CA GLN A 52 8.497 2.768 -14.361 1.00 0.00 C ATOM 575 C GLN A 52 7.796 1.655 -15.165 1.00 0.00 C ATOM 576 O GLN A 52 7.030 1.903 -16.099 1.00 0.00 O ATOM 577 CB GLN A 52 8.415 4.151 -15.033 1.00 0.00 C ATOM 578 CG GLN A 52 8.679 5.335 -14.082 1.00 0.00 C ATOM 579 CD GLN A 52 10.111 5.881 -14.129 1.00 0.00 C ATOM 580 OE1 GLN A 52 10.520 6.618 -15.000 1.00 0.00 O ATOM 581 NE2 GLN A 52 10.966 5.509 -13.182 1.00 0.00 N ATOM 0 H GLN A 52 10.067 2.550 -12.999 1.00 0.00 H new ATOM 0 HA GLN A 52 7.928 2.827 -13.433 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.136 4.188 -15.850 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.426 4.269 -15.475 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.988 6.142 -14.326 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.456 5.022 -13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.659 4.889 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.929 5.843 -13.205 1.00 0.00 H new ATOM 590 N LEU A 53 8.068 0.391 -14.812 1.00 0.00 N ATOM 591 CA LEU A 53 7.616 -0.817 -15.530 1.00 0.00 C ATOM 592 C LEU A 53 7.075 -1.904 -14.586 1.00 0.00 C ATOM 593 O LEU A 53 6.015 -2.476 -14.850 1.00 0.00 O ATOM 594 CB LEU A 53 8.804 -1.339 -16.369 1.00 0.00 C ATOM 595 CG LEU A 53 8.548 -2.652 -17.141 1.00 0.00 C ATOM 596 CD1 LEU A 53 7.396 -2.529 -18.148 1.00 0.00 C ATOM 597 CD2 LEU A 53 9.833 -3.061 -17.873 1.00 0.00 C ATOM 0 H LEU A 53 8.629 0.170 -13.989 1.00 0.00 H new ATOM 0 HA LEU A 53 6.778 -0.555 -16.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.088 -0.567 -17.084 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.656 -1.488 -15.706 1.00 0.00 H new ATOM 0 HG LEU A 53 8.258 -3.412 -16.416 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.259 -3.480 -18.662 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.479 -2.266 -17.621 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.631 -1.753 -18.876 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.661 -3.988 -18.421 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.120 -2.275 -18.571 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.633 -3.212 -17.148 1.00 0.00 H new ATOM 609 N ALA A 54 7.782 -2.195 -13.486 1.00 0.00 N ATOM 610 CA ALA A 54 7.348 -3.183 -12.496 1.00 0.00 C ATOM 611 C ALA A 54 6.049 -2.740 -11.776 1.00 0.00 C ATOM 612 O ALA A 54 5.872 -1.536 -11.540 1.00 0.00 O ATOM 613 CB ALA A 54 8.499 -3.456 -11.530 1.00 0.00 C ATOM 0 H ALA A 54 8.672 -1.750 -13.260 1.00 0.00 H new ATOM 0 HA ALA A 54 7.095 -4.116 -12.999 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.185 -4.191 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.355 -3.842 -12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.779 -2.530 -11.027 1.00 0.00 H new ATOM 619 N PRO A 55 5.145 -3.680 -11.427 1.00 0.00 N ATOM 620 CA PRO A 55 3.837 -3.369 -10.854 1.00 0.00 C ATOM 621 C PRO A 55 3.948 -2.803 -9.436 1.00 0.00 C ATOM 622 O PRO A 55 4.903 -3.087 -8.712 1.00 0.00 O ATOM 623 CB PRO A 55 3.047 -4.685 -10.885 1.00 0.00 C ATOM 624 CG PRO A 55 4.135 -5.758 -10.840 1.00 0.00 C ATOM 625 CD PRO A 55 5.280 -5.118 -11.621 1.00 0.00 C ATOM 0 HA PRO A 55 3.333 -2.590 -11.426 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.369 -4.766 -10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.440 -4.767 -11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.427 -5.994 -9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.803 -6.689 -11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.245 -5.472 -11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.223 -5.376 -12.678 1.00 0.00 H new ATOM 633 N LEU A 56 2.950 -2.011 -9.028 1.00 0.00 N ATOM 634 CA LEU A 56 2.906 -1.394 -7.697 1.00 0.00 C ATOM 635 C LEU A 56 2.551 -2.389 -6.581 1.00 0.00 C ATOM 636 O LEU A 56 3.173 -2.331 -5.519 1.00 0.00 O ATOM 637 CB LEU A 56 2.009 -0.132 -7.697 1.00 0.00 C ATOM 638 CG LEU A 56 0.480 -0.317 -7.860 1.00 0.00 C ATOM 639 CD1 LEU A 56 -0.263 0.951 -7.416 1.00 0.00 C ATOM 640 CD2 LEU A 56 0.081 -0.622 -9.305 1.00 0.00 C ATOM 0 H LEU A 56 2.147 -1.779 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 56 3.919 -1.066 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.182 0.398 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.352 0.520 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 56 0.204 -1.166 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.336 0.805 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.040 1.155 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.059 1.794 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.001 -0.743 -9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.391 0.201 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.568 -1.541 -9.631 1.00 0.00 H new ATOM 652 N ALA A 57 1.592 -3.297 -6.805 1.00 0.00 N ATOM 653 CA ALA A 57 1.087 -4.214 -5.771 1.00 0.00 C ATOM 654 C ALA A 57 1.489 -5.678 -5.971 1.00 0.00 C ATOM 655 O ALA A 57 1.883 -6.321 -5.003 1.00 0.00 O ATOM 656 CB ALA A 57 -0.440 -4.082 -5.681 1.00 0.00 C ATOM 0 H ALA A 57 1.142 -3.418 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 57 1.557 -3.915 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.819 -4.760 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.702 -3.057 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.884 -4.336 -6.643 1.00 0.00 H new ATOM 662 N ALA A 58 1.406 -6.223 -7.192 1.00 0.00 N ATOM 663 CA ALA A 58 1.541 -7.671 -7.437 1.00 0.00 C ATOM 664 C ALA A 58 2.878 -8.248 -6.934 1.00 0.00 C ATOM 665 O ALA A 58 2.890 -9.240 -6.197 1.00 0.00 O ATOM 666 CB ALA A 58 1.320 -7.932 -8.924 1.00 0.00 C ATOM 0 H ALA A 58 1.244 -5.677 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 58 0.782 -8.196 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.416 -8.999 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.322 -7.598 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.064 -7.386 -9.504 1.00 0.00 H new ATOM 672 N THR A 59 3.995 -7.597 -7.285 1.00 0.00 N ATOM 673 CA THR A 59 5.350 -7.950 -6.817 1.00 0.00 C ATOM 674 C THR A 59 5.540 -7.622 -5.337 1.00 0.00 C ATOM 675 O THR A 59 6.064 -8.446 -4.591 1.00 0.00 O ATOM 676 CB THR A 59 6.415 -7.301 -7.715 1.00 0.00 C ATOM 677 OG1 THR A 59 7.674 -7.806 -7.343 1.00 0.00 O ATOM 678 CG2 THR A 59 6.465 -5.773 -7.625 1.00 0.00 C ATOM 0 H THR A 59 3.986 -6.794 -7.914 1.00 0.00 H new ATOM 0 HA THR A 59 5.474 -9.030 -6.900 1.00 0.00 H new ATOM 0 HB THR A 59 6.149 -7.546 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.367 -7.404 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.242 -5.395 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.501 -5.359 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.687 -5.476 -6.600 1.00 0.00 H new ATOM 686 N ALA A 60 5.057 -6.459 -4.890 1.00 0.00 N ATOM 687 CA ALA A 60 5.219 -5.973 -3.522 1.00 0.00 C ATOM 688 C ALA A 60 4.497 -6.852 -2.486 1.00 0.00 C ATOM 689 O ALA A 60 5.032 -7.073 -1.400 1.00 0.00 O ATOM 690 CB ALA A 60 4.741 -4.520 -3.475 1.00 0.00 C ATOM 0 H ALA A 60 4.532 -5.818 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 60 6.273 -6.027 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.852 -4.133 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.338 -3.918 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.692 -4.472 -3.769 1.00 0.00 H new ATOM 696 N LEU A 61 3.320 -7.391 -2.817 1.00 0.00 N ATOM 697 CA LEU A 61 2.549 -8.306 -1.969 1.00 0.00 C ATOM 698 C LEU A 61 3.218 -9.687 -1.938 1.00 0.00 C ATOM 699 O LEU A 61 3.381 -10.258 -0.861 1.00 0.00 O ATOM 700 CB LEU A 61 1.095 -8.334 -2.499 1.00 0.00 C ATOM 701 CG LEU A 61 -0.012 -8.893 -1.576 1.00 0.00 C ATOM 702 CD1 LEU A 61 0.147 -10.383 -1.246 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.152 -8.085 -0.277 1.00 0.00 C ATOM 0 H LEU A 61 2.864 -7.197 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 61 2.523 -7.968 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.820 -7.314 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.088 -8.919 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.927 -8.788 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.667 -10.700 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.122 -10.964 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.099 -10.544 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.942 -8.517 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.790 -8.112 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.403 -7.052 -0.517 1.00 0.00 H new ATOM 715 N ALA A 62 3.692 -10.188 -3.086 1.00 0.00 N ATOM 716 CA ALA A 62 4.410 -11.463 -3.189 1.00 0.00 C ATOM 717 C ALA A 62 5.689 -11.512 -2.324 1.00 0.00 C ATOM 718 O ALA A 62 5.978 -12.555 -1.732 1.00 0.00 O ATOM 719 CB ALA A 62 4.710 -11.729 -4.671 1.00 0.00 C ATOM 0 H ALA A 62 3.585 -9.711 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 62 3.775 -12.254 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.244 -12.674 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.774 -11.781 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.324 -10.921 -5.069 1.00 0.00 H new ATOM 725 N ARG A 63 6.415 -10.389 -2.206 1.00 0.00 N ATOM 726 CA ARG A 63 7.563 -10.222 -1.290 1.00 0.00 C ATOM 727 C ARG A 63 7.187 -9.636 0.094 1.00 0.00 C ATOM 728 O ARG A 63 8.054 -9.473 0.952 1.00 0.00 O ATOM 729 CB ARG A 63 8.662 -9.397 -1.983 1.00 0.00 C ATOM 730 CG ARG A 63 8.313 -7.905 -2.089 1.00 0.00 C ATOM 731 CD ARG A 63 9.366 -7.093 -2.848 1.00 0.00 C ATOM 732 NE ARG A 63 10.609 -7.016 -2.069 1.00 0.00 N ATOM 733 CZ ARG A 63 11.791 -7.555 -2.339 1.00 0.00 C ATOM 734 NH1 ARG A 63 12.042 -8.168 -3.480 1.00 0.00 N1+ ATOM 735 NH2 ARG A 63 12.740 -7.486 -1.438 1.00 0.00 N ATOM 0 H ARG A 63 6.219 -9.552 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 63 7.943 -11.220 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.595 -9.508 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.833 -9.797 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.351 -7.798 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.199 -7.493 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.563 -7.555 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.989 -6.089 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 63 10.556 -6.476 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.314 -8.240 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.964 -8.570 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.564 -7.023 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.655 -7.895 -1.629 1.00 0.00 H new ATOM 749 N LYS A 64 5.910 -9.286 0.305 1.00 0.00 N ATOM 750 CA LYS A 64 5.315 -8.804 1.564 1.00 0.00 C ATOM 751 C LYS A 64 5.840 -7.429 2.040 1.00 0.00 C ATOM 752 O LYS A 64 5.901 -7.154 3.244 1.00 0.00 O ATOM 753 CB LYS A 64 5.432 -9.931 2.620 1.00 0.00 C ATOM 754 CG LYS A 64 4.243 -10.029 3.594 1.00 0.00 C ATOM 755 CD LYS A 64 2.918 -10.535 2.987 1.00 0.00 C ATOM 756 CE LYS A 64 3.070 -11.890 2.281 1.00 0.00 C ATOM 757 NZ LYS A 64 1.754 -12.526 1.989 1.00 0.00 N1+ ATOM 0 H LYS A 64 5.220 -9.334 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 64 4.260 -8.590 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.540 -10.884 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.344 -9.776 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.522 -10.692 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.070 -9.044 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.171 -10.623 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.544 -9.799 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.619 -11.752 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.663 -12.558 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.907 -13.438 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.239 -12.683 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.196 -11.902 1.372 1.00 0.00 H new ATOM 771 N ASP A 65 6.241 -6.548 1.119 1.00 0.00 N ATOM 772 CA ASP A 65 6.872 -5.242 1.398 1.00 0.00 C ATOM 773 C ASP A 65 5.866 -4.159 1.845 1.00 0.00 C ATOM 774 O ASP A 65 5.553 -3.211 1.121 1.00 0.00 O ATOM 775 CB ASP A 65 7.755 -4.800 0.211 1.00 0.00 C ATOM 776 CG ASP A 65 9.244 -4.715 0.603 1.00 0.00 C ATOM 777 OD1 ASP A 65 9.633 -3.691 1.211 1.00 0.00 O ATOM 778 OD2 ASP A 65 10.011 -5.662 0.307 1.00 0.00 O1- ATOM 0 H ASP A 65 6.134 -6.725 0.120 1.00 0.00 H new ATOM 0 HA ASP A 65 7.526 -5.375 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.636 -5.504 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.418 -3.828 -0.150 1.00 0.00 H new ATOM 783 N THR A 66 5.388 -4.300 3.088 1.00 0.00 N ATOM 784 CA THR A 66 4.495 -3.357 3.780 1.00 0.00 C ATOM 785 C THR A 66 4.988 -1.908 3.751 1.00 0.00 C ATOM 786 O THR A 66 4.171 -0.996 3.792 1.00 0.00 O ATOM 787 CB THR A 66 4.186 -3.861 5.196 1.00 0.00 C ATOM 788 OG1 THR A 66 3.534 -5.108 5.087 1.00 0.00 O ATOM 789 CG2 THR A 66 3.218 -2.957 5.961 1.00 0.00 C ATOM 0 H THR A 66 5.622 -5.108 3.665 1.00 0.00 H new ATOM 0 HA THR A 66 3.559 -3.328 3.222 1.00 0.00 H new ATOM 0 HB THR A 66 5.137 -3.899 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.052 -5.299 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.042 -3.370 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.648 -1.960 6.054 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.273 -2.896 5.421 1.00 0.00 H new ATOM 797 N ALA A 67 6.289 -1.664 3.553 1.00 0.00 N ATOM 798 CA ALA A 67 6.862 -0.337 3.313 1.00 0.00 C ATOM 799 C ALA A 67 6.184 0.419 2.152 1.00 0.00 C ATOM 800 O ALA A 67 5.906 1.610 2.292 1.00 0.00 O ATOM 801 CB ALA A 67 8.366 -0.508 3.048 1.00 0.00 C ATOM 0 H ALA A 67 6.990 -2.405 3.556 1.00 0.00 H new ATOM 0 HA ALA A 67 6.690 0.275 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.817 0.468 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.838 -0.970 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.512 -1.143 2.174 1.00 0.00 H new ATOM 807 N VAL A 68 5.888 -0.255 1.037 1.00 0.00 N ATOM 808 CA VAL A 68 5.144 0.321 -0.109 1.00 0.00 C ATOM 809 C VAL A 68 3.685 -0.151 -0.155 1.00 0.00 C ATOM 810 O VAL A 68 2.825 0.609 -0.604 1.00 0.00 O ATOM 811 CB VAL A 68 5.876 0.081 -1.450 1.00 0.00 C ATOM 812 CG1 VAL A 68 5.952 -1.402 -1.843 1.00 0.00 C ATOM 813 CG2 VAL A 68 5.250 0.893 -2.597 1.00 0.00 C ATOM 0 H VAL A 68 6.157 -1.228 0.894 1.00 0.00 H new ATOM 0 HA VAL A 68 5.114 1.399 0.048 1.00 0.00 H new ATOM 0 HB VAL A 68 6.896 0.428 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.478 -1.500 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.489 -1.956 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.944 -1.804 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.793 0.696 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.207 0.603 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.306 1.956 -2.363 1.00 0.00 H new ATOM 823 N LEU A 69 3.373 -1.347 0.377 1.00 0.00 N ATOM 824 CA LEU A 69 1.991 -1.815 0.530 1.00 0.00 C ATOM 825 C LEU A 69 1.159 -0.838 1.379 1.00 0.00 C ATOM 826 O LEU A 69 0.006 -0.588 1.047 1.00 0.00 O ATOM 827 CB LEU A 69 1.954 -3.266 1.060 1.00 0.00 C ATOM 828 CG LEU A 69 1.436 -4.337 0.076 1.00 0.00 C ATOM 829 CD1 LEU A 69 -0.007 -4.114 -0.409 1.00 0.00 C ATOM 830 CD2 LEU A 69 2.395 -4.466 -1.108 1.00 0.00 C ATOM 0 H LEU A 69 4.072 -2.011 0.711 1.00 0.00 H new ATOM 0 HA LEU A 69 1.522 -1.834 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.962 -3.544 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.329 -3.289 1.952 1.00 0.00 H new ATOM 0 HG LEU A 69 1.405 -5.272 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.288 -4.913 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.683 -4.117 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.074 -3.154 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.022 -5.224 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.466 -3.509 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.381 -4.758 -0.747 1.00 0.00 H new ATOM 842 N ASN A 70 1.770 -0.183 2.371 1.00 0.00 N ATOM 843 CA ASN A 70 1.207 0.944 3.122 1.00 0.00 C ATOM 844 C ASN A 70 0.618 2.036 2.211 1.00 0.00 C ATOM 845 O ASN A 70 -0.564 2.363 2.318 1.00 0.00 O ATOM 846 CB ASN A 70 2.320 1.512 4.027 1.00 0.00 C ATOM 847 CG ASN A 70 1.904 2.764 4.794 1.00 0.00 C ATOM 848 OD1 ASN A 70 1.481 2.686 5.934 1.00 0.00 O ATOM 849 ND2 ASN A 70 2.007 3.946 4.207 1.00 0.00 N ATOM 0 H ASN A 70 2.708 -0.433 2.685 1.00 0.00 H new ATOM 0 HA ASN A 70 0.370 0.586 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.625 0.745 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.192 1.744 3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.732 4.790 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.361 4.012 3.253 1.00 0.00 H new ATOM 856 N ARG A 71 1.433 2.608 1.312 1.00 0.00 N ATOM 857 CA ARG A 71 1.014 3.719 0.446 1.00 0.00 C ATOM 858 C ARG A 71 -0.041 3.272 -0.570 1.00 0.00 C ATOM 859 O ARG A 71 -1.110 3.876 -0.635 1.00 0.00 O ATOM 860 CB ARG A 71 2.227 4.342 -0.262 1.00 0.00 C ATOM 861 CG ARG A 71 2.990 5.357 0.609 1.00 0.00 C ATOM 862 CD ARG A 71 4.514 5.147 0.628 1.00 0.00 C ATOM 863 NE ARG A 71 4.942 4.325 1.780 1.00 0.00 N ATOM 864 CZ ARG A 71 5.123 4.748 3.026 1.00 0.00 C ATOM 865 NH1 ARG A 71 4.870 5.987 3.400 1.00 0.00 N1+ ATOM 866 NH2 ARG A 71 5.561 3.900 3.927 1.00 0.00 N ATOM 0 H ARG A 71 2.399 2.314 1.165 1.00 0.00 H new ATOM 0 HA ARG A 71 0.557 4.480 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.910 3.548 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.892 4.837 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.777 6.363 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.613 5.299 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.826 4.664 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.014 6.115 0.667 1.00 0.00 H new ATOM 0 HE ARG A 71 5.115 3.336 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.521 6.663 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.024 6.269 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.757 2.934 3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.706 4.207 4.889 1.00 0.00 H new ATOM 880 N ILE A 72 0.209 2.175 -1.301 1.00 0.00 N ATOM 881 CA ILE A 72 -0.744 1.687 -2.320 1.00 0.00 C ATOM 882 C ILE A 72 -2.070 1.262 -1.690 1.00 0.00 C ATOM 883 O ILE A 72 -3.112 1.485 -2.297 1.00 0.00 O ATOM 884 CB ILE A 72 -0.148 0.590 -3.235 1.00 0.00 C ATOM 885 CG1 ILE A 72 -0.062 -0.765 -2.514 1.00 0.00 C ATOM 886 CG2 ILE A 72 1.199 1.043 -3.825 1.00 0.00 C ATOM 887 CD1 ILE A 72 0.792 -1.808 -3.233 1.00 0.00 C ATOM 0 H ILE A 72 1.054 1.611 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.953 2.532 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.826 0.439 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.344 -0.606 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.070 -1.161 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.599 0.256 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.052 1.949 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.901 1.245 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.799 -2.733 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.376 -2.000 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.812 -1.436 -3.334 1.00 0.00 H new ATOM 899 N ALA A 73 -2.081 0.747 -0.459 1.00 0.00 N ATOM 900 CA ALA A 73 -3.323 0.465 0.250 1.00 0.00 C ATOM 901 C ALA A 73 -4.135 1.741 0.520 1.00 0.00 C ATOM 902 O ALA A 73 -5.314 1.813 0.190 1.00 0.00 O ATOM 903 CB ALA A 73 -3.020 -0.295 1.537 1.00 0.00 C ATOM 0 H ALA A 73 -1.238 0.517 0.067 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.947 -0.163 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.951 -0.504 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.521 -1.234 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.371 0.309 2.172 1.00 0.00 H new ATOM 909 N ASN A 74 -3.483 2.783 1.040 1.00 0.00 N ATOM 910 CA ASN A 74 -4.113 4.076 1.320 1.00 0.00 C ATOM 911 C ASN A 74 -4.557 4.865 0.060 1.00 0.00 C ATOM 912 O ASN A 74 -5.152 5.936 0.199 1.00 0.00 O ATOM 913 CB ASN A 74 -3.172 4.897 2.213 1.00 0.00 C ATOM 914 CG ASN A 74 -3.257 4.470 3.677 1.00 0.00 C ATOM 915 OD1 ASN A 74 -4.138 4.886 4.421 1.00 0.00 O ATOM 916 ND2 ASN A 74 -2.355 3.631 4.144 1.00 0.00 N ATOM 0 H ASN A 74 -2.492 2.753 1.281 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.049 3.877 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.147 4.783 1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.423 5.954 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.393 3.332 5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.619 3.280 3.531 1.00 0.00 H new ATOM 923 N GLU A 75 -4.291 4.366 -1.155 1.00 0.00 N ATOM 924 CA GLU A 75 -4.707 4.992 -2.420 1.00 0.00 C ATOM 925 C GLU A 75 -5.532 4.047 -3.311 1.00 0.00 C ATOM 926 O GLU A 75 -6.670 4.368 -3.655 1.00 0.00 O ATOM 927 CB GLU A 75 -3.474 5.495 -3.190 1.00 0.00 C ATOM 928 CG GLU A 75 -2.685 6.601 -2.472 1.00 0.00 C ATOM 929 CD GLU A 75 -3.507 7.868 -2.169 1.00 0.00 C ATOM 930 OE1 GLU A 75 -4.450 8.195 -2.927 1.00 0.00 O ATOM 931 OE2 GLU A 75 -3.174 8.571 -1.186 1.00 0.00 O1- ATOM 0 H GLU A 75 -3.771 3.499 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.353 5.831 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.808 4.652 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.795 5.868 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.293 6.203 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.827 6.876 -3.085 1.00 0.00 H new ATOM 938 N ALA A 76 -4.991 2.886 -3.691 1.00 0.00 N ATOM 939 CA ALA A 76 -5.631 1.917 -4.584 1.00 0.00 C ATOM 940 C ALA A 76 -6.604 0.986 -3.846 1.00 0.00 C ATOM 941 O ALA A 76 -7.683 0.714 -4.375 1.00 0.00 O ATOM 942 CB ALA A 76 -4.537 1.127 -5.313 1.00 0.00 C ATOM 0 H ALA A 76 -4.068 2.586 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.239 2.459 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.998 0.401 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.918 1.812 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.917 0.606 -4.583 1.00 0.00 H new ATOM 948 N LEU A 77 -6.279 0.523 -2.631 1.00 0.00 N ATOM 949 CA LEU A 77 -7.205 -0.291 -1.820 1.00 0.00 C ATOM 950 C LEU A 77 -8.285 0.584 -1.137 1.00 0.00 C ATOM 951 O LEU A 77 -9.297 0.075 -0.663 1.00 0.00 O ATOM 952 CB LEU A 77 -6.473 -1.177 -0.795 1.00 0.00 C ATOM 953 CG LEU A 77 -5.622 -2.363 -1.313 1.00 0.00 C ATOM 954 CD1 LEU A 77 -6.509 -3.570 -1.628 1.00 0.00 C ATOM 955 CD2 LEU A 77 -4.726 -2.087 -2.533 1.00 0.00 C ATOM 0 H LEU A 77 -5.379 0.697 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.709 -0.964 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.819 -0.532 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.221 -1.580 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.941 -2.558 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.891 -4.391 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.033 -3.882 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.235 -3.298 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.182 -2.994 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.344 -1.775 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.016 -1.296 -2.292 1.00 0.00 H new ATOM 967 N ASP A 78 -8.097 1.905 -1.119 1.00 0.00 N ATOM 968 CA ASP A 78 -9.081 2.894 -0.663 1.00 0.00 C ATOM 969 C ASP A 78 -10.267 3.066 -1.644 1.00 0.00 C ATOM 970 O ASP A 78 -11.290 3.652 -1.288 1.00 0.00 O ATOM 971 CB ASP A 78 -8.352 4.233 -0.425 1.00 0.00 C ATOM 972 CG ASP A 78 -8.461 4.691 1.041 1.00 0.00 C ATOM 973 OD1 ASP A 78 -9.426 5.415 1.380 1.00 0.00 O ATOM 974 OD2 ASP A 78 -7.580 4.315 1.847 1.00 0.00 O1- ATOM 0 H ASP A 78 -7.225 2.333 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.524 2.535 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.301 4.128 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.774 4.998 -1.077 1.00 0.00 H new ATOM 979 N GLN A 79 -10.151 2.536 -2.869 1.00 0.00 N ATOM 980 CA GLN A 79 -11.155 2.623 -3.934 1.00 0.00 C ATOM 981 C GLN A 79 -12.418 1.774 -3.646 1.00 0.00 C ATOM 982 O GLN A 79 -12.335 0.759 -2.945 1.00 0.00 O ATOM 983 CB GLN A 79 -10.525 2.161 -5.257 1.00 0.00 C ATOM 984 CG GLN A 79 -9.401 3.057 -5.782 1.00 0.00 C ATOM 985 CD GLN A 79 -8.686 2.514 -7.032 1.00 0.00 C ATOM 986 OE1 GLN A 79 -7.700 3.079 -7.501 1.00 0.00 O ATOM 987 NE2 GLN A 79 -9.117 1.424 -7.649 1.00 0.00 N ATOM 0 H GLN A 79 -9.322 2.015 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.475 3.663 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.134 1.152 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.307 2.102 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.814 4.039 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.665 3.198 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.932 0.925 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.634 1.084 -8.480 1.00 0.00 H new ATOM 996 N PRO A 80 -13.586 2.126 -4.228 1.00 0.00 N ATOM 997 CA PRO A 80 -14.853 1.433 -3.971 1.00 0.00 C ATOM 998 C PRO A 80 -14.932 0.005 -4.545 1.00 0.00 C ATOM 999 O PRO A 80 -15.824 -0.743 -4.157 1.00 0.00 O ATOM 1000 CB PRO A 80 -15.937 2.343 -4.561 1.00 0.00 C ATOM 1001 CG PRO A 80 -15.208 3.074 -5.685 1.00 0.00 C ATOM 1002 CD PRO A 80 -13.818 3.275 -5.096 1.00 0.00 C ATOM 0 HA PRO A 80 -14.974 1.273 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.783 1.769 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.328 3.037 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.180 2.485 -6.602 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.686 4.022 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.064 3.330 -5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.762 4.207 -4.534 1.00 0.00 H new ATOM 1010 N ASP A 81 -14.014 -0.407 -5.432 1.00 0.00 N ATOM 1011 CA ASP A 81 -13.975 -1.754 -6.027 1.00 0.00 C ATOM 1012 C ASP A 81 -13.346 -2.827 -5.109 1.00 0.00 C ATOM 1013 O ASP A 81 -13.267 -4.003 -5.478 1.00 0.00 O ATOM 1014 CB ASP A 81 -13.257 -1.677 -7.384 1.00 0.00 C ATOM 1015 CG ASP A 81 -11.745 -1.407 -7.285 1.00 0.00 C ATOM 1016 OD1 ASP A 81 -11.369 -0.234 -7.056 1.00 0.00 O ATOM 1017 OD2 ASP A 81 -10.951 -2.359 -7.469 1.00 0.00 O1- ATOM 0 H ASP A 81 -13.262 0.198 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.005 -2.083 -6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.413 -2.614 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.717 -0.889 -7.981 1.00 0.00 H new ATOM 1022 N VAL A 82 -12.890 -2.425 -3.922 1.00 0.00 N ATOM 1023 CA VAL A 82 -12.033 -3.199 -3.005 1.00 0.00 C ATOM 1024 C VAL A 82 -12.848 -3.792 -1.849 1.00 0.00 C ATOM 1025 O VAL A 82 -13.778 -3.147 -1.356 1.00 0.00 O ATOM 1026 CB VAL A 82 -10.923 -2.287 -2.444 1.00 0.00 C ATOM 1027 CG1 VAL A 82 -9.991 -3.050 -1.486 1.00 0.00 C ATOM 1028 CG2 VAL A 82 -10.093 -1.658 -3.584 1.00 0.00 C ATOM 0 H VAL A 82 -13.117 -1.503 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.590 -4.023 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.417 -1.493 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.222 -2.374 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.570 -3.440 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.520 -3.876 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.318 -1.020 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.630 -2.448 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.745 -1.062 -4.222 1.00 0.00 H new ATOM 1038 N ARG A 83 -12.486 -5.000 -1.393 1.00 0.00 N ATOM 1039 CA ARG A 83 -13.216 -5.711 -0.334 1.00 0.00 C ATOM 1040 C ARG A 83 -12.655 -5.438 1.077 1.00 0.00 C ATOM 1041 O ARG A 83 -13.449 -5.078 1.950 1.00 0.00 O ATOM 1042 CB ARG A 83 -13.328 -7.216 -0.644 1.00 0.00 C ATOM 1043 CG ARG A 83 -13.923 -7.474 -2.043 1.00 0.00 C ATOM 1044 CD ARG A 83 -14.523 -8.882 -2.196 1.00 0.00 C ATOM 1045 NE ARG A 83 -13.541 -9.954 -1.937 1.00 0.00 N ATOM 1046 CZ ARG A 83 -12.630 -10.421 -2.782 1.00 0.00 C ATOM 1047 NH1 ARG A 83 -12.513 -9.961 -4.008 1.00 0.00 N1+ ATOM 1048 NH2 ARG A 83 -11.804 -11.373 -2.397 1.00 0.00 N ATOM 0 H ARG A 83 -11.678 -5.512 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.228 -5.305 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.341 -7.674 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.952 -7.696 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.696 -6.733 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.145 -7.334 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.362 -8.991 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.920 -8.995 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.565 -10.381 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.134 -9.222 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.801 -10.343 -4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.865 -11.750 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.103 -11.733 -3.045 1.00 0.00 H new ATOM 1062 N ALA A 84 -11.334 -5.537 1.310 1.00 0.00 N ATOM 1063 CA ALA A 84 -10.658 -5.246 2.595 1.00 0.00 C ATOM 1064 C ALA A 84 -9.120 -5.402 2.552 1.00 0.00 C ATOM 1065 O ALA A 84 -8.598 -6.295 1.888 1.00 0.00 O ATOM 1066 CB ALA A 84 -11.220 -6.136 3.713 1.00 0.00 C ATOM 0 H ALA A 84 -10.681 -5.832 0.585 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.864 -4.195 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.711 -5.908 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.288 -5.949 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.060 -7.184 3.459 1.00 0.00 H new ATOM 1072 N VAL A 85 -8.393 -4.599 3.338 1.00 0.00 N ATOM 1073 CA VAL A 85 -6.934 -4.715 3.542 1.00 0.00 C ATOM 1074 C VAL A 85 -6.511 -4.122 4.903 1.00 0.00 C ATOM 1075 O VAL A 85 -7.161 -3.198 5.398 1.00 0.00 O ATOM 1076 CB VAL A 85 -6.181 -4.058 2.354 1.00 0.00 C ATOM 1077 CG1 VAL A 85 -6.043 -2.541 2.515 1.00 0.00 C ATOM 1078 CG2 VAL A 85 -4.810 -4.681 2.079 1.00 0.00 C ATOM 0 H VAL A 85 -8.808 -3.830 3.865 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.662 -5.770 3.568 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.810 -4.259 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.509 -2.131 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.033 -2.090 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.488 -2.321 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.342 -4.172 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.179 -4.577 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.932 -5.738 1.843 1.00 0.00 H new ATOM 1088 N THR A 86 -5.427 -4.628 5.507 1.00 0.00 N ATOM 1089 CA THR A 86 -4.906 -4.217 6.835 1.00 0.00 C ATOM 1090 C THR A 86 -3.451 -4.649 6.970 1.00 0.00 C ATOM 1091 O THR A 86 -3.086 -5.645 6.357 1.00 0.00 O ATOM 1092 CB THR A 86 -5.683 -4.837 8.016 1.00 0.00 C ATOM 1093 OG1 THR A 86 -6.978 -5.236 7.657 1.00 0.00 O ATOM 1094 CG2 THR A 86 -5.839 -3.856 9.178 1.00 0.00 C ATOM 0 H THR A 86 -4.863 -5.361 5.076 1.00 0.00 H new ATOM 0 HA THR A 86 -5.019 -3.134 6.881 1.00 0.00 H new ATOM 0 HB THR A 86 -5.088 -5.701 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.632 -4.765 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.392 -4.335 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.854 -3.559 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.383 -2.974 8.839 1.00 0.00 H new ATOM 1102 N PHE A 87 -2.640 -3.953 7.777 1.00 0.00 N ATOM 1103 CA PHE A 87 -1.214 -4.255 7.996 1.00 0.00 C ATOM 1104 C PHE A 87 -0.773 -3.854 9.412 1.00 0.00 C ATOM 1105 O PHE A 87 -1.119 -2.766 9.876 1.00 0.00 O ATOM 1106 CB PHE A 87 -0.332 -3.494 6.986 1.00 0.00 C ATOM 1107 CG PHE A 87 -0.762 -3.555 5.534 1.00 0.00 C ATOM 1108 CD1 PHE A 87 -1.809 -2.728 5.093 1.00 0.00 C ATOM 1109 CD2 PHE A 87 -0.137 -4.430 4.627 1.00 0.00 C ATOM 1110 CE1 PHE A 87 -2.257 -2.790 3.770 1.00 0.00 C ATOM 1111 CE2 PHE A 87 -0.589 -4.494 3.297 1.00 0.00 C ATOM 1112 CZ PHE A 87 -1.646 -3.672 2.869 1.00 0.00 C ATOM 0 H PHE A 87 -2.962 -3.145 8.310 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.093 -5.330 7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.294 -2.447 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.683 -3.884 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.272 -2.038 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.686 -5.050 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.071 -2.160 3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.123 -5.177 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.987 -3.720 1.845 1.00 0.00 H new ATOM 1122 N LEU A 88 0.048 -4.684 10.070 1.00 0.00 N ATOM 1123 CA LEU A 88 0.544 -4.454 11.436 1.00 0.00 C ATOM 1124 C LEU A 88 1.846 -5.223 11.700 1.00 0.00 C ATOM 1125 O LEU A 88 2.046 -6.317 11.170 1.00 0.00 O ATOM 1126 CB LEU A 88 -0.591 -4.804 12.425 1.00 0.00 C ATOM 1127 CG LEU A 88 -0.254 -4.707 13.930 1.00 0.00 C ATOM 1128 CD1 LEU A 88 -1.412 -4.084 14.721 1.00 0.00 C ATOM 1129 CD2 LEU A 88 0.051 -6.101 14.503 1.00 0.00 C ATOM 0 H LEU A 88 0.393 -5.552 9.660 1.00 0.00 H new ATOM 0 HA LEU A 88 0.809 -3.406 11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.435 -4.144 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.924 -5.821 12.216 1.00 0.00 H new ATOM 0 HG LEU A 88 0.624 -4.068 14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.144 -4.030 15.776 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.611 -3.080 14.345 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.304 -4.699 14.605 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.286 -6.015 15.564 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.819 -6.745 14.375 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.902 -6.533 13.976 1.00 0.00 H new ATOM 1141 N ASP A 89 2.729 -4.655 12.529 1.00 0.00 N ATOM 1142 CA ASP A 89 3.989 -5.280 12.967 1.00 0.00 C ATOM 1143 C ASP A 89 3.933 -5.819 14.412 1.00 0.00 C ATOM 1144 O ASP A 89 3.026 -5.488 15.178 1.00 0.00 O ATOM 1145 CB ASP A 89 5.138 -4.263 12.832 1.00 0.00 C ATOM 1146 CG ASP A 89 6.525 -4.941 12.778 1.00 0.00 C ATOM 1147 OD1 ASP A 89 7.541 -4.179 13.005 1.00 0.00 O ATOM 1148 OD2 ASP A 89 6.622 -6.136 12.559 1.00 0.00 O1- ATOM 0 H ASP A 89 2.587 -3.726 12.925 1.00 0.00 H new ATOM 0 HA ASP A 89 4.160 -6.141 12.321 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.991 -3.671 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.108 -3.572 13.674 1.00 0.00 H new ATOM 1153 N ALA A 90 4.954 -6.583 14.816 1.00 0.00 N ATOM 1154 CA ALA A 90 5.153 -7.141 16.165 1.00 0.00 C ATOM 1155 C ALA A 90 4.971 -6.121 17.304 1.00 0.00 C ATOM 1156 O ALA A 90 4.443 -6.452 18.368 1.00 0.00 O ATOM 1157 CB ALA A 90 6.576 -7.711 16.202 1.00 0.00 C ATOM 0 H ALA A 90 5.706 -6.845 14.179 1.00 0.00 H new ATOM 0 HA ALA A 90 4.389 -7.899 16.337 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.772 -8.138 17.186 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.677 -8.487 15.443 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.292 -6.914 16.003 1.00 0.00 H new ATOM 1163 N ARG A 91 5.347 -4.862 17.051 1.00 0.00 N ATOM 1164 CA ARG A 91 5.199 -3.696 17.936 1.00 0.00 C ATOM 1165 C ARG A 91 3.731 -3.316 18.248 1.00 0.00 C ATOM 1166 O ARG A 91 3.489 -2.449 19.084 1.00 0.00 O ATOM 1167 CB ARG A 91 5.988 -2.554 17.261 1.00 0.00 C ATOM 1168 CG ARG A 91 6.135 -1.257 18.074 1.00 0.00 C ATOM 1169 CD ARG A 91 7.238 -0.388 17.456 1.00 0.00 C ATOM 1170 NE ARG A 91 7.302 0.945 18.083 1.00 0.00 N ATOM 1171 CZ ARG A 91 8.377 1.719 18.199 1.00 0.00 C ATOM 1172 NH1 ARG A 91 9.574 1.323 17.815 1.00 0.00 N1+ ATOM 1173 NH2 ARG A 91 8.259 2.926 18.707 1.00 0.00 N ATOM 0 H ARG A 91 5.791 -4.612 16.167 1.00 0.00 H new ATOM 0 HA ARG A 91 5.596 -3.924 18.925 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.985 -2.922 17.020 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.501 -2.313 16.316 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.191 -0.712 18.084 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.379 -1.491 19.110 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.200 -0.888 17.567 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.058 -0.278 16.387 1.00 0.00 H new ATOM 0 HE ARG A 91 6.431 1.311 18.468 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.699 0.394 17.413 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.375 1.945 17.920 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.346 3.265 19.010 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.081 3.524 18.798 1.00 0.00 H new ATOM 1187 N GLN A 92 2.757 -3.949 17.576 1.00 0.00 N ATOM 1188 CA GLN A 92 1.305 -3.720 17.671 1.00 0.00 C ATOM 1189 C GLN A 92 0.897 -2.366 17.056 1.00 0.00 C ATOM 1190 O GLN A 92 -0.099 -1.760 17.448 1.00 0.00 O ATOM 1191 CB GLN A 92 0.760 -3.964 19.098 1.00 0.00 C ATOM 1192 CG GLN A 92 0.952 -5.417 19.578 1.00 0.00 C ATOM 1193 CD GLN A 92 1.768 -5.516 20.872 1.00 0.00 C ATOM 1194 OE1 GLN A 92 1.284 -5.243 21.965 1.00 0.00 O ATOM 1195 NE2 GLN A 92 3.028 -5.899 20.812 1.00 0.00 N ATOM 0 H GLN A 92 2.977 -4.685 16.905 1.00 0.00 H new ATOM 0 HA GLN A 92 0.812 -4.474 17.058 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.261 -3.289 19.792 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.301 -3.717 19.123 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.025 -5.874 19.735 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.450 -5.990 18.796 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.448 -6.130 19.912 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.582 -5.964 21.666 1.00 0.00 H new ATOM 1204 N GLU A 93 1.667 -1.887 16.073 1.00 0.00 N ATOM 1205 CA GLU A 93 1.387 -0.664 15.326 1.00 0.00 C ATOM 1206 C GLU A 93 0.705 -1.009 13.997 1.00 0.00 C ATOM 1207 O GLU A 93 1.309 -1.648 13.132 1.00 0.00 O ATOM 1208 CB GLU A 93 2.700 0.112 15.126 1.00 0.00 C ATOM 1209 CG GLU A 93 2.503 1.436 14.381 1.00 0.00 C ATOM 1210 CD GLU A 93 3.753 2.318 14.517 1.00 0.00 C ATOM 1211 OE1 GLU A 93 4.709 2.150 13.725 1.00 0.00 O ATOM 1212 OE2 GLU A 93 3.789 3.171 15.435 1.00 0.00 O1- ATOM 0 H GLU A 93 2.522 -2.353 15.770 1.00 0.00 H new ATOM 0 HA GLU A 93 0.700 -0.025 15.881 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.150 0.312 16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.403 -0.510 14.572 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.300 1.241 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.635 1.960 14.781 1.00 0.00 H new ATOM 1219 N ARG A 94 -0.551 -0.572 13.833 1.00 0.00 N ATOM 1220 CA ARG A 94 -1.295 -0.665 12.572 1.00 0.00 C ATOM 1221 C ARG A 94 -0.682 0.345 11.596 1.00 0.00 C ATOM 1222 O ARG A 94 -0.750 1.556 11.819 1.00 0.00 O ATOM 1223 CB ARG A 94 -2.812 -0.451 12.809 1.00 0.00 C ATOM 1224 CG ARG A 94 -3.677 -1.541 12.144 1.00 0.00 C ATOM 1225 CD ARG A 94 -5.099 -1.653 12.735 1.00 0.00 C ATOM 1226 NE ARG A 94 -6.150 -0.972 11.948 1.00 0.00 N ATOM 1227 CZ ARG A 94 -6.717 0.207 12.196 1.00 0.00 C ATOM 1228 NH1 ARG A 94 -6.196 1.068 13.048 1.00 0.00 N1+ ATOM 1229 NH2 ARG A 94 -7.827 0.550 11.580 1.00 0.00 N ATOM 0 H ARG A 94 -1.086 -0.137 14.585 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.212 -1.661 12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.010 -0.439 13.881 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.102 0.525 12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.752 -1.332 11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.174 -2.503 12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.358 -2.708 12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.093 -1.238 13.743 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.479 -1.464 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.333 0.839 13.540 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.656 1.963 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.256 -0.088 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.259 1.454 11.772 1.00 0.00 H new ATOM 1243 N LEU A 95 -0.020 -0.152 10.555 1.00 0.00 N ATOM 1244 CA LEU A 95 0.709 0.670 9.583 1.00 0.00 C ATOM 1245 C LEU A 95 -0.272 1.291 8.585 1.00 0.00 C ATOM 1246 O LEU A 95 -0.238 2.494 8.340 1.00 0.00 O ATOM 1247 CB LEU A 95 1.770 -0.204 8.890 1.00 0.00 C ATOM 1248 CG LEU A 95 2.890 -0.647 9.860 1.00 0.00 C ATOM 1249 CD1 LEU A 95 3.217 -2.131 9.665 1.00 0.00 C ATOM 1250 CD2 LEU A 95 4.164 0.185 9.664 1.00 0.00 C ATOM 0 H LEU A 95 0.028 -1.151 10.357 1.00 0.00 H new ATOM 0 HA LEU A 95 1.220 1.493 10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.290 -1.086 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.209 0.350 8.061 1.00 0.00 H new ATOM 0 HG LEU A 95 2.523 -0.486 10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.007 -2.423 10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.326 -2.728 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.551 -2.299 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.930 -0.153 10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.524 0.064 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.944 1.236 9.848 1.00 0.00 H new ATOM 1262 N ALA A 96 -1.193 0.468 8.074 1.00 0.00 N ATOM 1263 CA ALA A 96 -2.200 0.836 7.087 1.00 0.00 C ATOM 1264 C ALA A 96 -3.442 -0.061 7.190 1.00 0.00 C ATOM 1265 O ALA A 96 -3.438 -1.096 7.861 1.00 0.00 O ATOM 1266 CB ALA A 96 -1.557 0.784 5.692 1.00 0.00 C ATOM 0 H ALA A 96 -1.256 -0.512 8.351 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.550 1.851 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.297 1.057 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.722 1.483 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.195 -0.225 5.496 1.00 0.00 H new ATOM 1272 N HIS A 97 -4.507 0.346 6.507 1.00 0.00 N ATOM 1273 CA HIS A 97 -5.850 -0.221 6.593 1.00 0.00 C ATOM 1274 C HIS A 97 -6.770 0.476 5.577 1.00 0.00 C ATOM 1275 O HIS A 97 -6.706 1.700 5.432 1.00 0.00 O ATOM 1276 CB HIS A 97 -6.375 -0.103 8.037 1.00 0.00 C ATOM 1277 CG HIS A 97 -6.119 1.235 8.693 1.00 0.00 C ATOM 1278 ND1 HIS A 97 -6.688 2.436 8.347 1.00 0.00 N ATOM 1279 CD2 HIS A 97 -5.225 1.494 9.698 1.00 0.00 C ATOM 1280 CE1 HIS A 97 -6.174 3.390 9.143 1.00 0.00 C ATOM 1281 NE2 HIS A 97 -5.278 2.861 9.994 1.00 0.00 N ATOM 0 H HIS A 97 -4.455 1.120 5.844 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.828 -1.281 6.342 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.448 -0.293 8.036 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.914 -0.884 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.588 0.767 10.180 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.443 4.435 9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.745 3.355 10.710 1.00 0.00 H new ATOM 1289 N ALA A 98 -7.618 -0.284 4.884 1.00 0.00 N ATOM 1290 CA ALA A 98 -8.471 0.189 3.788 1.00 0.00 C ATOM 1291 C ALA A 98 -9.560 -0.838 3.422 1.00 0.00 C ATOM 1292 O ALA A 98 -9.445 -2.029 3.718 1.00 0.00 O ATOM 1293 CB ALA A 98 -7.601 0.617 2.592 1.00 0.00 C ATOM 0 H ALA A 98 -7.736 -1.279 5.075 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.017 1.072 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.242 0.967 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.932 1.421 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.013 -0.233 2.247 1.00 0.00 H new ATOM 1299 N GLY A 99 -10.655 -0.349 2.832 1.00 0.00 N ATOM 1300 CA GLY A 99 -11.930 -1.065 2.730 1.00 0.00 C ATOM 1301 C GLY A 99 -12.871 -0.746 3.907 1.00 0.00 C ATOM 1302 O GLY A 99 -12.414 -0.207 4.927 1.00 0.00 O ATOM 0 H GLY A 99 -10.680 0.576 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.420 -0.800 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.741 -2.138 2.698 1.00 0.00 H new ATOM 1306 N PRO A 100 -14.172 -1.065 3.783 1.00 0.00 N ATOM 1307 CA PRO A 100 -15.241 -0.532 4.634 1.00 0.00 C ATOM 1308 C PRO A 100 -15.178 -1.002 6.092 1.00 0.00 C ATOM 1309 O PRO A 100 -15.516 -0.235 6.989 1.00 0.00 O ATOM 1310 CB PRO A 100 -16.551 -0.967 3.957 1.00 0.00 C ATOM 1311 CG PRO A 100 -16.159 -2.217 3.167 1.00 0.00 C ATOM 1312 CD PRO A 100 -14.740 -1.884 2.718 1.00 0.00 C ATOM 0 HA PRO A 100 -15.148 0.551 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.327 -1.185 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.941 -0.187 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.190 -3.115 3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.824 -2.389 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.154 -2.791 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.745 -1.346 1.770 1.00 0.00 H new ATOM 1320 N SER A 101 -14.740 -2.236 6.353 1.00 0.00 N ATOM 1321 CA SER A 101 -14.624 -2.788 7.714 1.00 0.00 C ATOM 1322 C SER A 101 -13.295 -2.436 8.416 1.00 0.00 C ATOM 1323 O SER A 101 -13.206 -2.514 9.645 1.00 0.00 O ATOM 1324 CB SER A 101 -14.787 -4.312 7.636 1.00 0.00 C ATOM 1325 OG SER A 101 -13.862 -4.894 6.723 1.00 0.00 O ATOM 0 H SER A 101 -14.453 -2.889 5.624 1.00 0.00 H new ATOM 0 HA SER A 101 -15.410 -2.334 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.643 -4.745 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.804 -4.554 7.328 1.00 0.00 H new ATOM 0 HG SER A 101 -14.340 -5.490 6.109 1.00 0.00 H new ATOM 1331 N MET A 102 -12.260 -2.064 7.648 1.00 0.00 N ATOM 1332 CA MET A 102 -10.871 -1.951 8.127 1.00 0.00 C ATOM 1333 C MET A 102 -10.447 -0.514 8.427 1.00 0.00 C ATOM 1334 O MET A 102 -9.725 -0.276 9.405 1.00 0.00 O ATOM 1335 CB MET A 102 -9.925 -2.524 7.065 1.00 0.00 C ATOM 1336 CG MET A 102 -10.232 -3.976 6.670 1.00 0.00 C ATOM 1337 SD MET A 102 -10.280 -5.123 8.064 1.00 0.00 S ATOM 1338 CE MET A 102 -9.786 -6.637 7.211 1.00 0.00 C ATOM 0 H MET A 102 -12.364 -1.829 6.661 1.00 0.00 H new ATOM 0 HA MET A 102 -10.816 -2.509 9.062 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.975 -1.898 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.902 -2.468 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 102 -11.192 -4.006 6.155 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.478 -4.315 5.959 1.00 0.00 H new ATOM 0 HE1 MET A 102 -9.502 -7.392 7.944 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.620 -7.007 6.614 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.938 -6.427 6.559 1.00 0.00 H new ATOM 1348 N LEU A 103 -10.860 0.436 7.585 1.00 0.00 N ATOM 1349 CA LEU A 103 -10.593 1.870 7.729 1.00 0.00 C ATOM 1350 C LEU A 103 -11.850 2.557 8.272 1.00 0.00 C ATOM 1351 O LEU A 103 -12.890 2.581 7.617 1.00 0.00 O ATOM 1352 CB LEU A 103 -10.142 2.418 6.363 1.00 0.00 C ATOM 1353 CG LEU A 103 -10.028 3.951 6.224 1.00 0.00 C ATOM 1354 CD1 LEU A 103 -9.055 4.596 7.217 1.00 0.00 C ATOM 1355 CD2 LEU A 103 -9.594 4.309 4.807 1.00 0.00 C ATOM 0 H LEU A 103 -11.410 0.220 6.753 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.792 2.066 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.170 1.984 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.842 2.061 5.607 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.019 4.346 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.031 5.674 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.384 4.389 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.057 4.185 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.515 5.392 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.626 3.855 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.331 3.936 4.096 1.00 0.00 H new ATOM 1367 N THR A 104 -11.730 3.155 9.463 1.00 0.00 N ATOM 1368 CA THR A 104 -12.798 3.892 10.155 1.00 0.00 C ATOM 1369 C THR A 104 -13.285 5.094 9.345 1.00 0.00 C ATOM 1370 O THR A 104 -14.480 5.379 9.309 1.00 0.00 O ATOM 1371 CB THR A 104 -12.300 4.360 11.534 1.00 0.00 C ATOM 1372 OG1 THR A 104 -11.382 3.422 12.057 1.00 0.00 O ATOM 1373 CG2 THR A 104 -13.454 4.501 12.526 1.00 0.00 C ATOM 0 H THR A 104 -10.857 3.140 9.991 1.00 0.00 H new ATOM 0 HA THR A 104 -13.642 3.212 10.275 1.00 0.00 H new ATOM 0 HB THR A 104 -11.824 5.331 11.397 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.836 3.850 12.749 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.067 4.833 13.489 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.169 5.233 12.150 1.00 0.00 H new ATOM 0 HG23 THR A 104 -13.950 3.538 12.647 1.00 0.00 H new ATOM 1381 N VAL A 105 -12.353 5.769 8.666 1.00 0.00 N ATOM 1382 CA VAL A 105 -12.563 6.990 7.860 1.00 0.00 C ATOM 1383 C VAL A 105 -12.777 6.637 6.370 1.00 0.00 C ATOM 1384 O VAL A 105 -12.224 7.276 5.475 1.00 0.00 O ATOM 1385 CB VAL A 105 -11.421 8.023 8.080 1.00 0.00 C ATOM 1386 CG1 VAL A 105 -11.858 9.443 7.693 1.00 0.00 C ATOM 1387 CG2 VAL A 105 -10.947 8.082 9.550 1.00 0.00 C ATOM 0 H VAL A 105 -11.378 5.468 8.659 1.00 0.00 H new ATOM 0 HA VAL A 105 -13.477 7.474 8.203 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.606 7.681 7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.033 10.136 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.140 9.463 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.711 9.740 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.150 8.819 9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.782 8.366 10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.575 7.103 9.852 1.00 0.00 H new ATOM 1397 N ALA A 106 -13.553 5.578 6.088 1.00 0.00 N ATOM 1398 CA ALA A 106 -13.931 5.146 4.732 1.00 0.00 C ATOM 1399 C ALA A 106 -15.429 5.416 4.450 1.00 0.00 C ATOM 1400 O ALA A 106 -16.256 4.523 4.664 1.00 0.00 O ATOM 1401 CB ALA A 106 -13.569 3.662 4.561 1.00 0.00 C ATOM 0 H ALA A 106 -13.946 4.982 6.817 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.375 5.728 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.845 3.333 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.496 3.530 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.108 3.069 5.299 1.00 0.00 H new ATOM 1407 N PRO A 107 -15.795 6.613 3.945 1.00 0.00 N ATOM 1408 CA PRO A 107 -17.154 6.907 3.484 1.00 0.00 C ATOM 1409 C PRO A 107 -17.457 6.305 2.093 1.00 0.00 C ATOM 1410 O PRO A 107 -18.625 6.285 1.696 1.00 0.00 O ATOM 1411 CB PRO A 107 -17.241 8.438 3.474 1.00 0.00 C ATOM 1412 CG PRO A 107 -15.820 8.853 3.111 1.00 0.00 C ATOM 1413 CD PRO A 107 -14.965 7.808 3.833 1.00 0.00 C ATOM 0 HA PRO A 107 -17.900 6.456 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -17.967 8.797 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -17.543 8.833 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.656 8.835 2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -15.595 9.864 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.053 7.598 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -14.661 8.165 4.817 1.00 0.00 H new ATOM 1421 N ALA A 108 -16.433 5.826 1.367 1.00 0.00 N ATOM 1422 CA ALA A 108 -16.499 5.155 0.062 1.00 0.00 C ATOM 1423 C ALA A 108 -16.902 6.108 -1.095 1.00 0.00 C ATOM 1424 O ALA A 108 -16.836 7.336 -0.964 1.00 0.00 O ATOM 1425 CB ALA A 108 -17.372 3.889 0.170 1.00 0.00 C ATOM 0 H ALA A 108 -15.472 5.904 1.701 1.00 0.00 H new ATOM 0 HA ALA A 108 -15.494 4.834 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -17.418 3.395 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -16.938 3.209 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -18.378 4.167 0.484 1.00 0.00 H new ATOM 1431 N GLY A 109 -17.277 5.548 -2.251 1.00 0.00 N ATOM 1432 CA GLY A 109 -17.764 6.261 -3.445 1.00 0.00 C ATOM 1433 C GLY A 109 -16.657 6.866 -4.311 1.00 0.00 C ATOM 1434 O GLY A 109 -16.664 6.696 -5.525 1.00 0.00 O ATOM 0 H GLY A 109 -17.249 4.538 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -18.349 5.571 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -18.438 7.057 -3.129 1.00 0.00 H new ATOM 1438 N ASP A 110 -15.699 7.560 -3.693 1.00 0.00 N ATOM 1439 CA ASP A 110 -14.526 8.162 -4.340 1.00 0.00 C ATOM 1440 C ASP A 110 -13.303 7.236 -4.328 1.00 0.00 C ATOM 1441 O ASP A 110 -13.161 6.373 -3.458 1.00 0.00 O ATOM 1442 CB ASP A 110 -14.195 9.505 -3.662 1.00 0.00 C ATOM 1443 CG ASP A 110 -15.157 10.620 -4.094 1.00 0.00 C ATOM 1444 OD1 ASP A 110 -15.009 11.118 -5.234 1.00 0.00 O ATOM 1445 OD2 ASP A 110 -16.041 11.006 -3.295 1.00 0.00 O1- ATOM 0 H ASP A 110 -15.718 7.726 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.778 8.329 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.241 9.386 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.173 9.793 -3.908 1.00 0.00 H new ATOM 1450 N ALA A 111 -12.393 7.432 -5.298 1.00 0.00 N ATOM 1451 CA ALA A 111 -11.157 6.651 -5.445 1.00 0.00 C ATOM 1452 C ALA A 111 -10.106 7.015 -4.376 1.00 0.00 C ATOM 1453 O ALA A 111 -9.750 6.192 -3.549 1.00 0.00 O ATOM 1454 CB ALA A 111 -10.649 6.827 -6.867 1.00 0.00 C ATOM 0 H ALA A 111 -12.500 8.151 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.365 5.595 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.731 6.255 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.402 6.470 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.449 7.882 -7.054 1.00 0.00 H new ATOM 1460 N SER A 112 -9.620 8.260 -4.399 1.00 0.00 N ATOM 1461 CA SER A 112 -8.616 8.814 -3.470 1.00 0.00 C ATOM 1462 C SER A 112 -9.138 10.002 -2.635 1.00 0.00 C ATOM 1463 O SER A 112 -8.690 10.229 -1.510 1.00 0.00 O ATOM 1464 CB SER A 112 -7.408 9.275 -4.291 1.00 0.00 C ATOM 1465 OG SER A 112 -7.804 10.158 -5.336 1.00 0.00 O ATOM 0 H SER A 112 -9.925 8.942 -5.093 1.00 0.00 H new ATOM 0 HA SER A 112 -8.356 8.026 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.692 9.776 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.901 8.408 -4.716 1.00 0.00 H new ATOM 0 HG SER A 112 -7.014 10.439 -5.844 1.00 0.00 H new ATOM 1471 N HIS A 113 -10.119 10.756 -3.150 1.00 0.00 N ATOM 1472 CA HIS A 113 -10.628 11.991 -2.542 1.00 0.00 C ATOM 1473 C HIS A 113 -11.367 11.786 -1.200 1.00 0.00 C ATOM 1474 O HIS A 113 -11.626 12.760 -0.484 1.00 0.00 O ATOM 1475 CB HIS A 113 -11.525 12.710 -3.566 1.00 0.00 C ATOM 1476 CG HIS A 113 -10.766 13.318 -4.722 1.00 0.00 C ATOM 1477 ND1 HIS A 113 -10.564 12.765 -5.969 1.00 0.00 N ATOM 1478 CD2 HIS A 113 -10.158 14.546 -4.728 1.00 0.00 C ATOM 1479 CE1 HIS A 113 -9.847 13.635 -6.701 1.00 0.00 C ATOM 1480 NE2 HIS A 113 -9.575 14.744 -5.988 1.00 0.00 N ATOM 0 H HIS A 113 -10.591 10.517 -4.022 1.00 0.00 H new ATOM 0 HA HIS A 113 -9.764 12.605 -2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.255 12.001 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.084 13.496 -3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -10.132 15.243 -3.903 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -9.533 13.467 -7.721 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -9.052 15.562 -6.301 1.00 0.00 H new ATOM 1488 N LEU A 114 -11.682 10.539 -0.828 1.00 0.00 N ATOM 1489 CA LEU A 114 -12.278 10.184 0.467 1.00 0.00 C ATOM 1490 C LEU A 114 -11.312 10.310 1.661 1.00 0.00 C ATOM 1491 O LEU A 114 -11.775 10.418 2.795 1.00 0.00 O ATOM 1492 CB LEU A 114 -12.924 8.786 0.393 1.00 0.00 C ATOM 1493 CG LEU A 114 -12.000 7.550 0.425 1.00 0.00 C ATOM 1494 CD1 LEU A 114 -12.866 6.286 0.465 1.00 0.00 C ATOM 1495 CD2 LEU A 114 -11.046 7.487 -0.774 1.00 0.00 C ATOM 0 H LEU A 114 -11.527 9.731 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.055 10.923 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -13.624 8.699 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -13.510 8.739 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 114 -11.378 7.625 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.224 5.406 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.492 6.302 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -13.499 6.250 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.422 6.597 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.624 7.445 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.413 8.374 -0.782 1.00 0.00 H new ATOM 1507 N SER A 115 -9.993 10.309 1.436 1.00 0.00 N ATOM 1508 CA SER A 115 -8.979 10.319 2.506 1.00 0.00 C ATOM 1509 C SER A 115 -7.578 10.673 1.956 1.00 0.00 C ATOM 1510 O SER A 115 -6.716 9.806 1.796 1.00 0.00 O ATOM 1511 CB SER A 115 -8.984 8.972 3.263 1.00 0.00 C ATOM 1512 OG SER A 115 -8.149 9.015 4.412 1.00 0.00 O ATOM 0 H SER A 115 -9.592 10.301 0.498 1.00 0.00 H new ATOM 0 HA SER A 115 -9.238 11.102 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.003 8.726 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.647 8.178 2.597 1.00 0.00 H new ATOM 0 HG SER A 115 -8.176 8.148 4.869 1.00 0.00 H new ATOM 1518 N MET A 116 -7.346 11.955 1.633 1.00 0.00 N ATOM 1519 CA MET A 116 -6.104 12.410 0.980 1.00 0.00 C ATOM 1520 C MET A 116 -4.903 12.500 1.940 1.00 0.00 C ATOM 1521 O MET A 116 -3.762 12.253 1.531 1.00 0.00 O ATOM 1522 CB MET A 116 -6.355 13.763 0.289 1.00 0.00 C ATOM 1523 CG MET A 116 -5.374 13.968 -0.876 1.00 0.00 C ATOM 1524 SD MET A 116 -5.495 15.570 -1.700 1.00 0.00 S ATOM 1525 CE MET A 116 -4.441 16.541 -0.602 1.00 0.00 C ATOM 0 H MET A 116 -8.012 12.706 1.816 1.00 0.00 H new ATOM 0 HA MET A 116 -5.834 11.656 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.380 13.804 -0.080 1.00 0.00 H new ATOM 0 HB3 MET A 116 -6.244 14.572 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 116 -4.358 13.844 -0.502 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.540 13.183 -1.614 1.00 0.00 H new ATOM 0 HE1 MET A 116 -4.396 17.570 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 116 -4.853 16.523 0.407 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.437 16.116 -0.592 1.00 0.00 H new ATOM 1535 N SER A 117 -5.130 12.841 3.204 1.00 0.00 N ATOM 1536 CA SER A 117 -4.105 12.880 4.268 1.00 0.00 C ATOM 1537 C SER A 117 -4.305 11.733 5.270 1.00 0.00 C ATOM 1538 O SER A 117 -5.394 11.598 5.845 1.00 0.00 O ATOM 1539 CB SER A 117 -4.151 14.241 4.986 1.00 0.00 C ATOM 1540 OG SER A 117 -5.452 14.594 5.454 1.00 0.00 O ATOM 0 H SER A 117 -6.056 13.108 3.537 1.00 0.00 H new ATOM 0 HA SER A 117 -3.124 12.752 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 117 -3.463 14.220 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.796 15.014 4.305 1.00 0.00 H new ATOM 0 HG SER A 117 -5.935 13.784 5.721 1.00 0.00 H new ATOM 1546 N THR A 118 -3.270 10.904 5.477 1.00 0.00 N ATOM 1547 CA THR A 118 -3.305 9.659 6.245 1.00 0.00 C ATOM 1548 C THR A 118 -2.316 9.690 7.415 1.00 0.00 C ATOM 1549 O THR A 118 -2.747 9.803 8.561 1.00 0.00 O ATOM 1550 CB THR A 118 -3.047 8.460 5.305 1.00 0.00 C ATOM 1551 OG1 THR A 118 -1.884 8.651 4.518 1.00 0.00 O ATOM 1552 CG2 THR A 118 -4.246 8.281 4.369 1.00 0.00 C ATOM 0 H THR A 118 -2.345 11.097 5.094 1.00 0.00 H new ATOM 0 HA THR A 118 -4.297 9.546 6.683 1.00 0.00 H new ATOM 0 HB THR A 118 -2.903 7.576 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.751 7.873 3.937 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.066 7.436 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.143 8.095 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.383 9.185 3.776 1.00 0.00 H new ATOM 1560 N GLU A 119 -1.025 9.631 7.102 1.00 0.00 N ATOM 1561 CA GLU A 119 0.140 9.683 8.012 1.00 0.00 C ATOM 1562 C GLU A 119 0.371 8.350 8.754 1.00 0.00 C ATOM 1563 O GLU A 119 -0.516 7.505 8.848 1.00 0.00 O ATOM 1564 CB GLU A 119 0.042 10.907 8.963 1.00 0.00 C ATOM 1565 CG GLU A 119 1.380 11.287 9.614 1.00 0.00 C ATOM 1566 CD GLU A 119 1.378 12.756 10.081 1.00 0.00 C ATOM 1567 OE1 GLU A 119 1.781 13.642 9.289 1.00 0.00 O ATOM 1568 OE2 GLU A 119 0.981 13.045 11.235 1.00 0.00 O1- ATOM 0 H GLU A 119 -0.731 9.538 6.130 1.00 0.00 H new ATOM 0 HA GLU A 119 1.033 9.824 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.336 11.762 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.685 10.691 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.572 10.633 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.191 11.130 8.902 1.00 0.00 H new ATOM 1575 N LEU A 120 1.600 8.117 9.239 1.00 0.00 N ATOM 1576 CA LEU A 120 2.043 6.852 9.849 1.00 0.00 C ATOM 1577 C LEU A 120 1.795 6.765 11.371 1.00 0.00 C ATOM 1578 O LEU A 120 2.084 5.732 11.978 1.00 0.00 O ATOM 1579 CB LEU A 120 3.532 6.634 9.500 1.00 0.00 C ATOM 1580 CG LEU A 120 3.794 6.341 8.008 1.00 0.00 C ATOM 1581 CD1 LEU A 120 5.307 6.356 7.739 1.00 0.00 C ATOM 1582 CD2 LEU A 120 3.225 4.982 7.577 1.00 0.00 C ATOM 0 H LEU A 120 2.335 8.824 9.217 1.00 0.00 H new ATOM 0 HA LEU A 120 1.434 6.050 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.095 7.521 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.916 5.805 10.095 1.00 0.00 H new ATOM 0 HG LEU A 120 3.292 7.117 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.491 6.149 6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.712 7.336 7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.793 5.594 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.433 4.819 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.690 4.190 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.147 4.970 7.740 1.00 0.00 H new ATOM 1594 N ASP A 121 1.250 7.807 11.996 1.00 0.00 N ATOM 1595 CA ASP A 121 0.927 7.856 13.433 1.00 0.00 C ATOM 1596 C ASP A 121 -0.373 7.110 13.815 1.00 0.00 C ATOM 1597 O ASP A 121 -0.819 7.182 14.962 1.00 0.00 O ATOM 1598 CB ASP A 121 0.903 9.323 13.906 1.00 0.00 C ATOM 1599 CG ASP A 121 -0.417 10.064 13.604 1.00 0.00 C ATOM 1600 OD1 ASP A 121 -0.927 10.767 14.512 1.00 0.00 O ATOM 1601 OD2 ASP A 121 -0.930 9.952 12.466 1.00 0.00 O1- ATOM 0 H ASP A 121 1.011 8.670 11.507 1.00 0.00 H new ATOM 0 HA ASP A 121 1.716 7.315 13.955 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.084 9.349 14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.725 9.860 13.431 1.00 0.00 H new ATOM 1606 N THR A 122 -0.992 6.403 12.854 1.00 0.00 N ATOM 1607 CA THR A 122 -2.297 5.724 12.960 1.00 0.00 C ATOM 1608 C THR A 122 -2.226 4.367 13.673 1.00 0.00 C ATOM 1609 O THR A 122 -2.812 3.381 13.217 1.00 0.00 O ATOM 1610 CB THR A 122 -2.959 5.629 11.576 1.00 0.00 C ATOM 1611 OG1 THR A 122 -2.083 4.986 10.681 1.00 0.00 O ATOM 1612 CG2 THR A 122 -3.297 7.012 11.020 1.00 0.00 C ATOM 0 H THR A 122 -0.573 6.283 11.932 1.00 0.00 H new ATOM 0 HA THR A 122 -2.929 6.338 13.601 1.00 0.00 H new ATOM 0 HB THR A 122 -3.884 5.062 11.686 1.00 0.00 H new ATOM 0 HG1 THR A 122 -2.505 4.923 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 122 -3.764 6.906 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.985 7.518 11.697 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.384 7.599 10.925 1.00 0.00 H new ATOM 1620 N THR A 123 -1.505 4.324 14.799 1.00 0.00 N ATOM 1621 CA THR A 123 -1.292 3.164 15.682 1.00 0.00 C ATOM 1622 C THR A 123 -2.617 2.497 16.064 1.00 0.00 C ATOM 1623 O THR A 123 -3.660 3.145 16.124 1.00 0.00 O ATOM 1624 CB THR A 123 -0.524 3.629 16.936 1.00 0.00 C ATOM 1625 OG1 THR A 123 0.565 4.442 16.551 1.00 0.00 O ATOM 1626 CG2 THR A 123 0.044 2.495 17.794 1.00 0.00 C ATOM 0 H THR A 123 -1.021 5.153 15.144 1.00 0.00 H new ATOM 0 HA THR A 123 -0.705 2.415 15.151 1.00 0.00 H new ATOM 0 HB THR A 123 -1.260 4.163 17.537 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.051 4.738 17.349 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.567 2.916 18.653 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.770 1.858 18.141 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.740 1.903 17.200 1.00 0.00 H new ATOM 1634 N HIS A 124 -2.581 1.198 16.373 1.00 0.00 N ATOM 1635 CA HIS A 124 -3.760 0.403 16.762 1.00 0.00 C ATOM 1636 C HIS A 124 -4.558 1.037 17.924 1.00 0.00 C ATOM 1637 O HIS A 124 -5.782 0.926 17.974 1.00 0.00 O ATOM 1638 CB HIS A 124 -3.258 -1.007 17.124 1.00 0.00 C ATOM 1639 CG HIS A 124 -4.288 -1.955 17.688 1.00 0.00 C ATOM 1640 ND1 HIS A 124 -4.069 -2.847 18.713 1.00 0.00 N ATOM 1641 CD2 HIS A 124 -5.598 -2.094 17.310 1.00 0.00 C ATOM 1642 CE1 HIS A 124 -5.218 -3.498 18.956 1.00 0.00 C ATOM 1643 NE2 HIS A 124 -6.185 -3.070 18.126 1.00 0.00 N ATOM 0 H HIS A 124 -1.718 0.655 16.361 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.462 0.364 15.929 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.830 -1.459 16.229 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.450 -0.908 17.849 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -3.186 -2.989 19.204 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.092 -1.547 16.521 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.347 -4.258 19.712 1.00 0.00 H new ATOM 1651 N PHE A 125 -3.870 1.770 18.808 1.00 0.00 N ATOM 1652 CA PHE A 125 -4.428 2.453 19.976 1.00 0.00 C ATOM 1653 C PHE A 125 -5.497 3.526 19.655 1.00 0.00 C ATOM 1654 O PHE A 125 -6.177 3.991 20.573 1.00 0.00 O ATOM 1655 CB PHE A 125 -3.248 3.038 20.777 1.00 0.00 C ATOM 1656 CG PHE A 125 -3.439 2.993 22.280 1.00 0.00 C ATOM 1657 CD1 PHE A 125 -3.305 1.765 22.957 1.00 0.00 C ATOM 1658 CD2 PHE A 125 -3.726 4.165 23.007 1.00 0.00 C ATOM 1659 CE1 PHE A 125 -3.457 1.707 24.353 1.00 0.00 C ATOM 1660 CE2 PHE A 125 -3.876 4.106 24.404 1.00 0.00 C ATOM 1661 CZ PHE A 125 -3.742 2.878 25.078 1.00 0.00 C ATOM 0 H PHE A 125 -2.863 1.908 18.722 1.00 0.00 H new ATOM 0 HA PHE A 125 -4.980 1.720 20.564 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.341 2.491 20.520 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.093 4.073 20.472 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -3.085 0.865 22.402 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.831 5.108 22.492 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.355 0.764 24.869 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.095 5.005 24.961 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.858 2.835 26.151 1.00 0.00 H new ATOM 1671 N LEU A 126 -5.678 3.912 18.380 1.00 0.00 N ATOM 1672 CA LEU A 126 -6.759 4.801 17.928 1.00 0.00 C ATOM 1673 C LEU A 126 -8.165 4.245 18.233 1.00 0.00 C ATOM 1674 O LEU A 126 -9.004 4.981 18.755 1.00 0.00 O ATOM 1675 CB LEU A 126 -6.630 5.049 16.409 1.00 0.00 C ATOM 1676 CG LEU A 126 -5.561 6.057 15.943 1.00 0.00 C ATOM 1677 CD1 LEU A 126 -5.601 6.113 14.408 1.00 0.00 C ATOM 1678 CD2 LEU A 126 -5.802 7.465 16.496 1.00 0.00 C ATOM 0 H LEU A 126 -5.066 3.609 17.623 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.651 5.733 18.482 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.424 4.093 15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.597 5.389 16.040 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.592 5.724 16.314 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.853 6.820 14.050 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.389 5.124 14.002 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.590 6.435 14.081 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.021 8.135 16.137 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.773 7.827 16.159 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.783 7.436 17.585 1.00 0.00 H new ATOM 1690 N LEU A 127 -8.436 2.979 17.883 1.00 0.00 N ATOM 1691 CA LEU A 127 -9.769 2.349 17.945 1.00 0.00 C ATOM 1692 C LEU A 127 -9.771 1.096 18.858 1.00 0.00 C ATOM 1693 O LEU A 127 -8.727 0.467 19.035 1.00 0.00 O ATOM 1694 CB LEU A 127 -10.240 1.978 16.513 1.00 0.00 C ATOM 1695 CG LEU A 127 -10.952 3.062 15.667 1.00 0.00 C ATOM 1696 CD1 LEU A 127 -12.242 3.580 16.324 1.00 0.00 C ATOM 1697 CD2 LEU A 127 -10.052 4.248 15.301 1.00 0.00 C ATOM 0 H LEU A 127 -7.715 2.345 17.539 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.463 3.068 18.380 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -9.367 1.641 15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -10.914 1.126 16.596 1.00 0.00 H new ATOM 0 HG LEU A 127 -11.213 2.546 14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.697 4.337 15.685 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -12.939 2.753 16.459 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -12.006 4.018 17.294 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -10.619 4.966 14.709 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -9.696 4.730 16.212 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -9.200 3.893 14.722 1.00 0.00 H new ATOM 1709 N PRO A 128 -10.943 0.684 19.397 1.00 0.00 N ATOM 1710 CA PRO A 128 -11.079 -0.482 20.277 1.00 0.00 C ATOM 1711 C PRO A 128 -11.182 -1.829 19.530 1.00 0.00 C ATOM 1712 O PRO A 128 -11.299 -2.869 20.190 1.00 0.00 O ATOM 1713 CB PRO A 128 -12.352 -0.198 21.085 1.00 0.00 C ATOM 1714 CG PRO A 128 -13.231 0.537 20.079 1.00 0.00 C ATOM 1715 CD PRO A 128 -12.220 1.388 19.314 1.00 0.00 C ATOM 0 HA PRO A 128 -10.188 -0.601 20.894 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -12.821 -1.117 21.437 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.146 0.412 21.964 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -13.760 -0.153 19.422 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.986 1.149 20.572 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.526 1.516 18.276 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -12.143 2.385 19.749 1.00 0.00 H new ATOM 1723 N VAL A 129 -11.159 -1.851 18.198 1.00 0.00 N ATOM 1724 CA VAL A 129 -11.323 -3.052 17.352 1.00 0.00 C ATOM 1725 C VAL A 129 -10.562 -2.880 16.029 1.00 0.00 C ATOM 1726 O VAL A 129 -10.311 -1.758 15.592 1.00 0.00 O ATOM 1727 CB VAL A 129 -12.825 -3.378 17.135 1.00 0.00 C ATOM 1728 CG1 VAL A 129 -13.542 -2.365 16.221 1.00 0.00 C ATOM 1729 CG2 VAL A 129 -13.042 -4.803 16.597 1.00 0.00 C ATOM 0 H VAL A 129 -11.021 -1.003 17.648 1.00 0.00 H new ATOM 0 HA VAL A 129 -10.889 -3.909 17.867 1.00 0.00 H new ATOM 0 HB VAL A 129 -13.271 -3.305 18.127 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -14.588 -2.651 16.111 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -13.482 -1.370 16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -13.063 -2.356 15.242 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -14.109 -4.982 16.462 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -12.532 -4.912 15.640 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -12.640 -5.525 17.307 1.00 0.00 H new ATOM 1739 N LEU A 130 -10.191 -4.007 15.400 1.00 0.00 N ATOM 1740 CA LEU A 130 -9.347 -4.075 14.206 1.00 0.00 C ATOM 1741 C LEU A 130 -9.641 -5.330 13.367 1.00 0.00 C ATOM 1742 O LEU A 130 -10.175 -6.319 13.872 1.00 0.00 O ATOM 1743 CB LEU A 130 -7.855 -3.954 14.607 1.00 0.00 C ATOM 1744 CG LEU A 130 -7.148 -5.115 15.358 1.00 0.00 C ATOM 1745 CD1 LEU A 130 -7.882 -5.615 16.613 1.00 0.00 C ATOM 1746 CD2 LEU A 130 -6.823 -6.320 14.461 1.00 0.00 C ATOM 0 H LEU A 130 -10.484 -4.928 15.725 1.00 0.00 H new ATOM 0 HA LEU A 130 -9.585 -3.230 13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -7.290 -3.769 13.694 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -7.759 -3.063 15.227 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.218 -4.648 15.682 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.313 -6.425 17.069 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.983 -4.797 17.326 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.871 -5.978 16.335 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -6.330 -7.092 15.053 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -7.746 -6.719 14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.162 -6.005 13.654 1.00 0.00 H new ATOM 1758 N GLY A 131 -9.249 -5.290 12.085 1.00 0.00 N ATOM 1759 CA GLY A 131 -9.270 -6.447 11.179 1.00 0.00 C ATOM 1760 C GLY A 131 -10.668 -7.042 10.948 1.00 0.00 C ATOM 1761 O GLY A 131 -11.692 -6.381 11.123 1.00 0.00 O ATOM 0 H GLY A 131 -8.903 -4.439 11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.851 -6.149 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.620 -7.223 11.583 1.00 0.00 H new ATOM 1765 N ARG A 132 -10.682 -8.330 10.577 1.00 0.00 N ATOM 1766 CA ARG A 132 -11.873 -9.190 10.453 1.00 0.00 C ATOM 1767 C ARG A 132 -11.832 -10.374 11.449 1.00 0.00 C ATOM 1768 O ARG A 132 -12.343 -11.451 11.164 1.00 0.00 O ATOM 1769 CB ARG A 132 -11.996 -9.665 8.989 1.00 0.00 C ATOM 1770 CG ARG A 132 -12.535 -8.589 8.034 1.00 0.00 C ATOM 1771 CD ARG A 132 -14.042 -8.343 8.177 1.00 0.00 C ATOM 1772 NE ARG A 132 -14.643 -7.999 6.877 1.00 0.00 N ATOM 1773 CZ ARG A 132 -15.932 -7.819 6.620 1.00 0.00 C ATOM 1774 NH1 ARG A 132 -16.838 -7.809 7.574 1.00 0.00 N1+ ATOM 1775 NH2 ARG A 132 -16.330 -7.653 5.379 1.00 0.00 N ATOM 0 H ARG A 132 -9.822 -8.827 10.343 1.00 0.00 H new ATOM 0 HA ARG A 132 -12.761 -8.614 10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -11.017 -9.992 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -12.654 -10.533 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -12.004 -7.655 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -12.319 -8.885 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -14.523 -9.234 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -14.217 -7.536 8.888 1.00 0.00 H new ATOM 0 HE ARG A 132 -14.001 -7.888 6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -16.557 -7.942 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -17.821 -7.668 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -15.649 -7.663 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -17.320 -7.514 5.175 1.00 0.00 H new ATOM 1789 N HIS A 133 -11.171 -10.195 12.603 1.00 0.00 N ATOM 1790 CA HIS A 133 -11.049 -11.171 13.709 1.00 0.00 C ATOM 1791 C HIS A 133 -10.091 -12.354 13.402 1.00 0.00 C ATOM 1792 O HIS A 133 -10.033 -13.333 14.153 1.00 0.00 O ATOM 1793 CB HIS A 133 -12.457 -11.609 14.181 1.00 0.00 C ATOM 1794 CG HIS A 133 -12.501 -12.278 15.535 1.00 0.00 C ATOM 1795 ND1 HIS A 133 -12.237 -11.690 16.754 1.00 0.00 N ATOM 1796 CD2 HIS A 133 -12.847 -13.580 15.784 1.00 0.00 C ATOM 1797 CE1 HIS A 133 -12.414 -12.619 17.710 1.00 0.00 C ATOM 1798 NE2 HIS A 133 -12.790 -13.794 17.168 1.00 0.00 N ATOM 0 H HIS A 133 -10.681 -9.324 12.805 1.00 0.00 H new ATOM 0 HA HIS A 133 -10.560 -10.669 14.544 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -13.104 -10.732 14.205 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -12.874 -12.293 13.442 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -13.117 -14.316 15.041 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -12.274 -12.447 18.767 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -12.992 -14.662 17.664 1.00 0.00 H new ATOM 1806 N HIS A 134 -9.302 -12.279 12.327 1.00 0.00 N ATOM 1807 CA HIS A 134 -8.279 -13.269 11.959 1.00 0.00 C ATOM 1808 C HIS A 134 -6.888 -12.614 11.805 1.00 0.00 C ATOM 1809 O HIS A 134 -6.745 -11.599 11.116 1.00 0.00 O ATOM 1810 CB HIS A 134 -8.690 -13.968 10.649 1.00 0.00 C ATOM 1811 CG HIS A 134 -9.836 -14.936 10.809 1.00 0.00 C ATOM 1812 ND1 HIS A 134 -9.740 -16.253 11.198 1.00 0.00 N ATOM 1813 CD2 HIS A 134 -11.163 -14.687 10.570 1.00 0.00 C ATOM 1814 CE1 HIS A 134 -10.977 -16.782 11.195 1.00 0.00 C ATOM 1815 NE2 HIS A 134 -11.885 -15.864 10.817 1.00 0.00 N ATOM 0 H HIS A 134 -9.357 -11.504 11.666 1.00 0.00 H new ATOM 0 HA HIS A 134 -8.208 -14.005 12.760 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -8.966 -13.211 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -7.829 -14.502 10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -11.581 -13.745 10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -11.209 -17.803 11.460 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -12.892 -15.997 10.728 1.00 0.00 H new ATOM 1823 N SER A 135 -5.853 -13.208 12.403 1.00 0.00 N ATOM 1824 CA SER A 135 -4.438 -12.819 12.209 1.00 0.00 C ATOM 1825 C SER A 135 -3.695 -13.732 11.206 1.00 0.00 C ATOM 1826 O SER A 135 -2.539 -13.465 10.856 1.00 0.00 O ATOM 1827 CB SER A 135 -3.714 -12.844 13.561 1.00 0.00 C ATOM 1828 OG SER A 135 -4.275 -11.913 14.485 1.00 0.00 O ATOM 0 H SER A 135 -5.968 -13.989 13.050 1.00 0.00 H new ATOM 0 HA SER A 135 -4.434 -11.814 11.788 1.00 0.00 H new ATOM 0 HB2 SER A 135 -3.766 -13.848 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 135 -2.659 -12.615 13.411 1.00 0.00 H new ATOM 0 HG SER A 135 -3.840 -11.042 14.376 1.00 0.00 H new ATOM 1834 N LEU A 136 -4.338 -14.812 10.745 1.00 0.00 N ATOM 1835 CA LEU A 136 -3.810 -15.778 9.767 1.00 0.00 C ATOM 1836 C LEU A 136 -3.820 -15.216 8.329 1.00 0.00 C ATOM 1837 O LEU A 136 -4.393 -14.167 8.058 1.00 0.00 O ATOM 1838 CB LEU A 136 -4.628 -17.084 9.872 1.00 0.00 C ATOM 1839 CG LEU A 136 -4.394 -17.890 11.167 1.00 0.00 C ATOM 1840 CD1 LEU A 136 -5.421 -19.026 11.255 1.00 0.00 C ATOM 1841 CD2 LEU A 136 -2.976 -18.487 11.224 1.00 0.00 C ATOM 0 H LEU A 136 -5.280 -15.049 11.055 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.765 -15.982 10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -5.688 -16.840 9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -4.387 -17.717 9.018 1.00 0.00 H new ATOM 0 HG LEU A 136 -4.507 -17.206 12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.256 -19.596 12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.427 -18.607 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.311 -19.684 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -2.854 -19.046 12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -2.828 -19.155 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.241 -17.683 11.185 1.00 0.00 H new ATOM 1853 N SER A 137 -3.156 -15.938 7.415 1.00 0.00 N ATOM 1854 CA SER A 137 -3.133 -15.692 5.953 1.00 0.00 C ATOM 1855 C SER A 137 -2.279 -14.469 5.544 1.00 0.00 C ATOM 1856 O SER A 137 -2.256 -14.100 4.351 1.00 0.00 O ATOM 1857 CB SER A 137 -4.549 -15.615 5.359 1.00 0.00 C ATOM 1858 OG SER A 137 -5.332 -16.768 5.678 1.00 0.00 O ATOM 0 H SER A 137 -2.593 -16.747 7.679 1.00 0.00 H new ATOM 0 HA SER A 137 -2.638 -16.562 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 137 -5.050 -14.723 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 137 -4.482 -15.512 4.276 1.00 0.00 H new ATOM 0 HG SER A 137 -6.224 -16.677 5.283 1.00 0.00 H new ATOM 1864 N GLY A 138 -1.577 -13.838 6.476 1.00 0.00 N ATOM 1865 CA GLY A 138 -0.761 -12.634 6.286 1.00 0.00 C ATOM 1866 C GLY A 138 0.746 -12.875 6.342 1.00 0.00 C ATOM 1867 O GLY A 138 1.238 -13.932 5.922 1.00 0.00 O ATOM 0 H GLY A 138 -1.557 -14.167 7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -1.010 -12.190 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -1.028 -11.905 7.051 1.00 0.00 H new ATOM 1871 N ALA A 139 1.488 -11.899 6.851 1.00 0.00 N ATOM 1872 CA ALA A 139 2.931 -11.952 7.079 1.00 0.00 C ATOM 1873 C ALA A 139 3.290 -12.871 8.270 1.00 0.00 C ATOM 1874 O ALA A 139 3.620 -12.407 9.361 1.00 0.00 O ATOM 1875 CB ALA A 139 3.461 -10.513 7.257 1.00 0.00 C ATOM 0 H ALA A 139 1.083 -11.006 7.130 1.00 0.00 H new ATOM 0 HA ALA A 139 3.420 -12.397 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.537 -10.540 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.251 -9.934 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 139 2.970 -10.047 8.111 1.00 0.00 H new ATOM 1881 N THR A 140 3.212 -14.188 8.033 1.00 0.00 N ATOM 1882 CA THR A 140 3.704 -15.241 8.945 1.00 0.00 C ATOM 1883 C THR A 140 5.237 -15.353 8.935 1.00 0.00 C ATOM 1884 O THR A 140 5.821 -15.920 9.858 1.00 0.00 O ATOM 1885 CB THR A 140 3.005 -16.569 8.607 1.00 0.00 C ATOM 1886 OG1 THR A 140 3.245 -17.499 9.638 1.00 0.00 O ATOM 1887 CG2 THR A 140 3.431 -17.175 7.273 1.00 0.00 C ATOM 0 H THR A 140 2.795 -14.564 7.181 1.00 0.00 H new ATOM 0 HA THR A 140 3.449 -14.970 9.969 1.00 0.00 H new ATOM 0 HB THR A 140 1.943 -16.341 8.516 1.00 0.00 H new ATOM 0 HG1 THR A 140 2.799 -18.345 9.425 1.00 0.00 H new ATOM 0 HG21 THR A 140 2.893 -18.109 7.109 1.00 0.00 H new ATOM 0 HG22 THR A 140 3.202 -16.478 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 140 4.503 -17.372 7.289 1.00 0.00 H new ATOM 1895 N GLU A 141 5.888 -14.789 7.916 1.00 0.00 N ATOM 1896 CA GLU A 141 7.339 -14.609 7.828 1.00 0.00 C ATOM 1897 C GLU A 141 7.844 -13.526 8.811 1.00 0.00 C ATOM 1898 O GLU A 141 7.065 -12.654 9.210 1.00 0.00 O ATOM 1899 CB GLU A 141 7.706 -14.209 6.388 1.00 0.00 C ATOM 1900 CG GLU A 141 7.488 -15.322 5.349 1.00 0.00 C ATOM 1901 CD GLU A 141 8.486 -16.477 5.526 1.00 0.00 C ATOM 1902 OE1 GLU A 141 8.126 -17.509 6.137 1.00 0.00 O ATOM 1903 OE2 GLU A 141 9.637 -16.365 5.044 1.00 0.00 O1- ATOM 0 H GLU A 141 5.399 -14.430 7.096 1.00 0.00 H new ATOM 0 HA GLU A 141 7.818 -15.550 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.114 -13.340 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 141 8.752 -13.904 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.471 -15.705 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.588 -14.907 4.346 1.00 0.00 H new ATOM 1910 N PRO A 142 9.135 -13.554 9.201 1.00 0.00 N ATOM 1911 CA PRO A 142 9.727 -12.590 10.131 1.00 0.00 C ATOM 1912 C PRO A 142 10.065 -11.239 9.468 1.00 0.00 C ATOM 1913 O PRO A 142 9.779 -11.007 8.291 1.00 0.00 O ATOM 1914 CB PRO A 142 10.971 -13.308 10.683 1.00 0.00 C ATOM 1915 CG PRO A 142 11.430 -14.152 9.498 1.00 0.00 C ATOM 1916 CD PRO A 142 10.106 -14.594 8.876 1.00 0.00 C ATOM 0 HA PRO A 142 9.030 -12.311 10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 142 11.739 -12.601 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 142 10.731 -13.924 11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.035 -13.575 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.034 -15.002 9.815 1.00 0.00 H new ATOM 0 HD2 PRO A 142 10.203 -14.712 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 142 9.791 -15.558 9.275 1.00 0.00 H new ATOM 1924 N ASP A 143 10.715 -10.358 10.237 1.00 0.00 N ATOM 1925 CA ASP A 143 11.197 -9.025 9.837 1.00 0.00 C ATOM 1926 C ASP A 143 12.082 -9.004 8.572 1.00 0.00 C ATOM 1927 O ASP A 143 12.223 -7.957 7.941 1.00 0.00 O ATOM 1928 CB ASP A 143 12.018 -8.437 10.995 1.00 0.00 C ATOM 1929 CG ASP A 143 11.186 -8.134 12.255 1.00 0.00 C ATOM 1930 OD1 ASP A 143 11.009 -9.052 13.092 1.00 0.00 O ATOM 1931 OD2 ASP A 143 10.748 -6.970 12.417 1.00 0.00 O1- ATOM 0 H ASP A 143 10.933 -10.565 11.212 1.00 0.00 H new ATOM 0 HA ASP A 143 10.305 -8.444 9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.814 -9.135 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 143 12.498 -7.518 10.658 1.00 0.00 H new ATOM 1936 N ASP A 144 12.648 -10.152 8.188 1.00 0.00 N ATOM 1937 CA ASP A 144 13.454 -10.347 6.978 1.00 0.00 C ATOM 1938 C ASP A 144 12.719 -9.933 5.691 1.00 0.00 C ATOM 1939 O ASP A 144 13.355 -9.442 4.755 1.00 0.00 O ATOM 1940 CB ASP A 144 13.845 -11.831 6.852 1.00 0.00 C ATOM 1941 CG ASP A 144 14.931 -12.303 7.846 1.00 0.00 C ATOM 1942 OD1 ASP A 144 15.897 -12.980 7.407 1.00 0.00 O ATOM 1943 OD2 ASP A 144 14.829 -12.030 9.069 1.00 0.00 O1- ATOM 0 H ASP A 144 12.553 -11.008 8.735 1.00 0.00 H new ATOM 0 HA ASP A 144 14.332 -9.709 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 144 12.953 -12.440 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 144 14.197 -12.014 5.837 1.00 0.00 H new ATOM 1948 N GLU A 145 11.388 -10.073 5.660 1.00 0.00 N ATOM 1949 CA GLU A 145 10.549 -9.605 4.553 1.00 0.00 C ATOM 1950 C GLU A 145 10.216 -8.112 4.700 1.00 0.00 C ATOM 1951 O GLU A 145 10.460 -7.350 3.764 1.00 0.00 O ATOM 1952 CB GLU A 145 9.256 -10.434 4.458 1.00 0.00 C ATOM 1953 CG GLU A 145 9.467 -11.938 4.219 1.00 0.00 C ATOM 1954 CD GLU A 145 10.116 -12.258 2.861 1.00 0.00 C ATOM 1955 OE1 GLU A 145 9.379 -12.545 1.888 1.00 0.00 O ATOM 1956 OE2 GLU A 145 11.366 -12.272 2.766 1.00 0.00 O1- ATOM 0 H GLU A 145 10.860 -10.519 6.410 1.00 0.00 H new ATOM 0 HA GLU A 145 11.115 -9.738 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.690 -10.304 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 145 8.644 -10.035 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.093 -12.340 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.505 -12.446 4.282 1.00 0.00 H new ATOM 1963 N ARG A 146 9.712 -7.700 5.880 1.00 0.00 N ATOM 1964 CA ARG A 146 9.396 -6.315 6.297 1.00 0.00 C ATOM 1965 C ARG A 146 8.757 -6.264 7.702 1.00 0.00 C ATOM 1966 O ARG A 146 9.245 -5.521 8.552 1.00 0.00 O ATOM 1967 CB ARG A 146 8.525 -5.584 5.242 1.00 0.00 C ATOM 1968 CG ARG A 146 7.985 -4.204 5.644 1.00 0.00 C ATOM 1969 CD ARG A 146 9.040 -3.176 6.075 1.00 0.00 C ATOM 1970 NE ARG A 146 8.396 -1.919 6.501 1.00 0.00 N ATOM 1971 CZ ARG A 146 9.013 -0.787 6.821 1.00 0.00 C ATOM 1972 NH1 ARG A 146 10.324 -0.674 6.788 1.00 0.00 N1+ ATOM 1973 NH2 ARG A 146 8.307 0.264 7.181 1.00 0.00 N ATOM 0 H ARG A 146 9.500 -8.370 6.619 1.00 0.00 H new ATOM 0 HA ARG A 146 10.343 -5.779 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 146 9.114 -5.469 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 146 7.678 -6.224 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 146 7.427 -3.793 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 146 7.277 -4.336 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 146 9.637 -3.580 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 146 9.723 -2.979 5.249 1.00 0.00 H new ATOM 0 HE ARG A 146 7.377 -1.919 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 146 10.898 -1.470 6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 146 10.766 0.210 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 146 7.289 0.208 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 146 8.778 1.135 7.427 1.00 0.00 H new ATOM 1987 N VAL A 147 7.672 -7.009 7.932 1.00 0.00 N ATOM 1988 CA VAL A 147 6.893 -7.028 9.192 1.00 0.00 C ATOM 1989 C VAL A 147 6.625 -8.457 9.662 1.00 0.00 C ATOM 1990 O VAL A 147 6.526 -9.370 8.845 1.00 0.00 O ATOM 1991 CB VAL A 147 5.533 -6.297 9.071 1.00 0.00 C ATOM 1992 CG1 VAL A 147 5.731 -4.770 9.005 1.00 0.00 C ATOM 1993 CG2 VAL A 147 4.681 -6.763 7.884 1.00 0.00 C ATOM 0 H VAL A 147 7.292 -7.640 7.227 1.00 0.00 H new ATOM 0 HA VAL A 147 7.511 -6.501 9.919 1.00 0.00 H new ATOM 0 HB VAL A 147 4.982 -6.560 9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 147 4.761 -4.281 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 147 6.232 -4.429 9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 147 6.341 -4.519 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 147 3.745 -6.205 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.225 -6.589 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 147 4.467 -7.827 7.985 1.00 0.00 H new ATOM 2003 N LEU A 148 6.536 -8.648 10.982 1.00 0.00 N ATOM 2004 CA LEU A 148 6.315 -9.947 11.640 1.00 0.00 C ATOM 2005 C LEU A 148 4.871 -10.139 12.162 1.00 0.00 C ATOM 2006 O LEU A 148 4.480 -11.267 12.472 1.00 0.00 O ATOM 2007 CB LEU A 148 7.398 -10.083 12.733 1.00 0.00 C ATOM 2008 CG LEU A 148 7.377 -11.382 13.579 1.00 0.00 C ATOM 2009 CD1 LEU A 148 8.793 -11.794 13.988 1.00 0.00 C ATOM 2010 CD2 LEU A 148 6.556 -11.234 14.880 1.00 0.00 C ATOM 0 H LEU A 148 6.618 -7.879 11.647 1.00 0.00 H new ATOM 0 HA LEU A 148 6.414 -10.757 10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 148 8.375 -10.004 12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 148 7.305 -9.234 13.411 1.00 0.00 H new ATOM 0 HG LEU A 148 6.915 -12.135 12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 148 8.749 -12.708 14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 148 9.393 -11.969 13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 148 9.246 -10.999 14.580 1.00 0.00 H new ATOM 0 HD21 LEU A 148 6.576 -12.174 15.432 1.00 0.00 H new ATOM 0 HD22 LEU A 148 6.987 -10.443 15.494 1.00 0.00 H new ATOM 0 HD23 LEU A 148 5.525 -10.981 14.633 1.00 0.00 H new ATOM 2022 N GLY A 149 4.068 -9.066 12.244 1.00 0.00 N ATOM 2023 CA GLY A 149 2.720 -9.070 12.832 1.00 0.00 C ATOM 2024 C GLY A 149 1.699 -9.833 11.981 1.00 0.00 C ATOM 2025 O GLY A 149 1.462 -11.015 12.229 1.00 0.00 O ATOM 0 H GLY A 149 4.346 -8.149 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.764 -9.517 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.382 -8.042 12.960 1.00 0.00 H new ATOM 2029 N TRP A 150 1.099 -9.156 10.993 1.00 0.00 N ATOM 2030 CA TRP A 150 0.122 -9.707 10.036 1.00 0.00 C ATOM 2031 C TRP A 150 -0.252 -8.710 8.918 1.00 0.00 C ATOM 2032 O TRP A 150 0.202 -7.565 8.891 1.00 0.00 O ATOM 2033 CB TRP A 150 -1.124 -10.282 10.758 1.00 0.00 C ATOM 2034 CG TRP A 150 -1.789 -9.430 11.797 1.00 0.00 C ATOM 2035 CD1 TRP A 150 -1.846 -9.743 13.112 1.00 0.00 C ATOM 2036 CD2 TRP A 150 -2.507 -8.153 11.663 1.00 0.00 C ATOM 2037 NE1 TRP A 150 -2.557 -8.778 13.793 1.00 0.00 N ATOM 2038 CE2 TRP A 150 -2.963 -7.771 12.960 1.00 0.00 C ATOM 2039 CE3 TRP A 150 -2.808 -7.280 10.600 1.00 0.00 C ATOM 2040 CZ2 TRP A 150 -3.660 -6.565 13.184 1.00 0.00 C ATOM 2041 CZ3 TRP A 150 -3.485 -6.062 10.819 1.00 0.00 C ATOM 2042 CH2 TRP A 150 -3.914 -5.711 12.110 1.00 0.00 C ATOM 0 H TRP A 150 1.287 -8.167 10.829 1.00 0.00 H new ATOM 0 HA TRP A 150 0.614 -10.540 9.534 1.00 0.00 H new ATOM 0 HB2 TRP A 150 -1.868 -10.525 9.999 1.00 0.00 H new ATOM 0 HB3 TRP A 150 -0.833 -11.220 11.231 1.00 0.00 H new ATOM 0 HD1 TRP A 150 -1.401 -10.618 13.561 1.00 0.00 H new ATOM 0 HE1 TRP A 150 -2.756 -8.811 14.793 1.00 0.00 H new ATOM 0 HE3 TRP A 150 -2.514 -7.549 9.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 150 -3.994 -6.305 14.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 150 -3.674 -5.396 9.990 1.00 0.00 H new ATOM 0 HH2 TRP A 150 -4.440 -4.781 12.271 1.00 0.00 H new ATOM 2053 N VAL A 151 -1.108 -9.162 7.988 1.00 0.00 N ATOM 2054 CA VAL A 151 -1.666 -8.389 6.862 1.00 0.00 C ATOM 2055 C VAL A 151 -2.876 -9.124 6.264 1.00 0.00 C ATOM 2056 O VAL A 151 -2.832 -10.343 6.098 1.00 0.00 O ATOM 2057 CB VAL A 151 -0.613 -7.976 5.786 1.00 0.00 C ATOM 2058 CG1 VAL A 151 0.481 -9.028 5.556 1.00 0.00 C ATOM 2059 CG2 VAL A 151 -1.196 -7.660 4.395 1.00 0.00 C ATOM 0 H VAL A 151 -1.448 -10.124 8.000 1.00 0.00 H new ATOM 0 HA VAL A 151 -2.008 -7.437 7.269 1.00 0.00 H new ATOM 0 HB VAL A 151 -0.199 -7.070 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.175 -8.671 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 151 1.020 -9.201 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.025 -9.960 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.389 -7.384 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.710 -8.539 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -1.902 -6.833 4.476 1.00 0.00 H new ATOM 2069 N GLU A 152 -3.944 -8.389 5.961 1.00 0.00 N ATOM 2070 CA GLU A 152 -5.133 -8.876 5.244 1.00 0.00 C ATOM 2071 C GLU A 152 -5.064 -8.453 3.766 1.00 0.00 C ATOM 2072 O GLU A 152 -4.465 -7.424 3.458 1.00 0.00 O ATOM 2073 CB GLU A 152 -6.407 -8.311 5.900 1.00 0.00 C ATOM 2074 CG GLU A 152 -7.664 -9.135 5.589 1.00 0.00 C ATOM 2075 CD GLU A 152 -7.768 -10.375 6.491 1.00 0.00 C ATOM 2076 OE1 GLU A 152 -8.364 -10.275 7.589 1.00 0.00 O ATOM 2077 OE2 GLU A 152 -7.268 -11.452 6.093 1.00 0.00 O1- ATOM 0 H GLU A 152 -4.013 -7.403 6.214 1.00 0.00 H new ATOM 0 HA GLU A 152 -5.162 -9.964 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -6.265 -8.271 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -6.559 -7.286 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -8.549 -8.513 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -7.647 -9.445 4.544 1.00 0.00 H new ATOM 2084 N LEU A 153 -5.684 -9.210 2.850 1.00 0.00 N ATOM 2085 CA LEU A 153 -5.623 -8.972 1.398 1.00 0.00 C ATOM 2086 C LEU A 153 -6.862 -9.519 0.658 1.00 0.00 C ATOM 2087 O LEU A 153 -6.849 -10.640 0.144 1.00 0.00 O ATOM 2088 CB LEU A 153 -4.282 -9.501 0.833 1.00 0.00 C ATOM 2089 CG LEU A 153 -3.937 -10.974 1.184 1.00 0.00 C ATOM 2090 CD1 LEU A 153 -3.700 -11.819 -0.078 1.00 0.00 C ATOM 2091 CD2 LEU A 153 -2.694 -11.045 2.086 1.00 0.00 C ATOM 0 H LEU A 153 -6.252 -10.019 3.100 1.00 0.00 H new ATOM 0 HA LEU A 153 -5.650 -7.897 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -4.301 -9.400 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -3.478 -8.862 1.198 1.00 0.00 H new ATOM 0 HG LEU A 153 -4.795 -11.383 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -3.461 -12.843 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -4.600 -11.815 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -2.870 -11.399 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -2.472 -12.087 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -1.844 -10.599 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -2.884 -10.500 3.010 1.00 0.00 H new ATOM 2103 N GLU A 154 -7.931 -8.726 0.588 1.00 0.00 N ATOM 2104 CA GLU A 154 -9.187 -9.055 -0.100 1.00 0.00 C ATOM 2105 C GLU A 154 -9.521 -7.987 -1.155 1.00 0.00 C ATOM 2106 O GLU A 154 -9.917 -6.863 -0.836 1.00 0.00 O ATOM 2107 CB GLU A 154 -10.334 -9.184 0.918 1.00 0.00 C ATOM 2108 CG GLU A 154 -10.107 -10.220 2.032 1.00 0.00 C ATOM 2109 CD GLU A 154 -9.959 -11.657 1.501 1.00 0.00 C ATOM 2110 OE1 GLU A 154 -9.149 -12.430 2.066 1.00 0.00 O ATOM 2111 OE2 GLU A 154 -10.684 -12.042 0.551 1.00 0.00 O1- ATOM 0 H GLU A 154 -7.951 -7.804 1.023 1.00 0.00 H new ATOM 0 HA GLU A 154 -9.064 -10.011 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -10.501 -8.210 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -11.247 -9.444 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -9.211 -9.952 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -10.943 -10.182 2.731 1.00 0.00 H new ATOM 2118 N LEU A 155 -9.367 -8.345 -2.434 1.00 0.00 N ATOM 2119 CA LEU A 155 -9.478 -7.450 -3.592 1.00 0.00 C ATOM 2120 C LEU A 155 -9.598 -8.241 -4.915 1.00 0.00 C ATOM 2121 O LEU A 155 -9.828 -9.452 -4.908 1.00 0.00 O ATOM 2122 CB LEU A 155 -8.314 -6.422 -3.599 1.00 0.00 C ATOM 2123 CG LEU A 155 -6.895 -7.000 -3.841 1.00 0.00 C ATOM 2124 CD1 LEU A 155 -6.018 -5.974 -4.566 1.00 0.00 C ATOM 2125 CD2 LEU A 155 -6.214 -7.466 -2.543 1.00 0.00 C ATOM 0 H LEU A 155 -9.153 -9.305 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 155 -10.404 -6.881 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -8.518 -5.678 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -8.313 -5.898 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 155 -7.015 -7.882 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -5.025 -6.394 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -6.468 -5.725 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -5.935 -5.072 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -5.224 -7.861 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -6.118 -6.623 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -6.816 -8.245 -2.076 1.00 0.00 H new ATOM 2137 N SER A 156 -9.448 -7.566 -6.052 1.00 0.00 N ATOM 2138 CA SER A 156 -9.352 -8.177 -7.383 1.00 0.00 C ATOM 2139 C SER A 156 -8.024 -8.939 -7.601 1.00 0.00 C ATOM 2140 O SER A 156 -7.158 -9.001 -6.720 1.00 0.00 O ATOM 2141 CB SER A 156 -9.513 -7.062 -8.431 1.00 0.00 C ATOM 2142 OG SER A 156 -8.395 -6.183 -8.423 1.00 0.00 O ATOM 0 H SER A 156 -9.388 -6.548 -6.078 1.00 0.00 H new ATOM 0 HA SER A 156 -10.143 -8.921 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 156 -9.625 -7.504 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 156 -10.424 -6.498 -8.229 1.00 0.00 H new ATOM 0 HG SER A 156 -8.523 -5.485 -9.099 1.00 0.00 H new ATOM 2148 N HIS A 157 -7.798 -9.492 -8.795 1.00 0.00 N ATOM 2149 CA HIS A 157 -6.501 -10.086 -9.158 1.00 0.00 C ATOM 2150 C HIS A 157 -5.382 -9.040 -9.390 1.00 0.00 C ATOM 2151 O HIS A 157 -4.212 -9.420 -9.461 1.00 0.00 O ATOM 2152 CB HIS A 157 -6.688 -10.988 -10.387 1.00 0.00 C ATOM 2153 CG HIS A 157 -7.383 -12.290 -10.066 1.00 0.00 C ATOM 2154 ND1 HIS A 157 -6.762 -13.478 -9.748 1.00 0.00 N ATOM 2155 CD2 HIS A 157 -8.733 -12.515 -10.010 1.00 0.00 C ATOM 2156 CE1 HIS A 157 -7.715 -14.396 -9.509 1.00 0.00 C ATOM 2157 NE2 HIS A 157 -8.940 -13.857 -9.657 1.00 0.00 N ATOM 0 H HIS A 157 -8.499 -9.543 -9.534 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.162 -10.679 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -7.265 -10.451 -11.140 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -5.713 -11.202 -10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -9.505 -11.785 -10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -7.524 -15.423 -9.236 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -9.836 -14.329 -9.537 1.00 0.00 H new ATOM 2165 N HIS A 158 -5.725 -7.746 -9.500 1.00 0.00 N ATOM 2166 CA HIS A 158 -4.822 -6.621 -9.801 1.00 0.00 C ATOM 2167 C HIS A 158 -4.196 -6.702 -11.224 1.00 0.00 C ATOM 2168 O HIS A 158 -4.370 -7.681 -11.960 1.00 0.00 O ATOM 2169 CB HIS A 158 -3.786 -6.467 -8.663 1.00 0.00 C ATOM 2170 CG HIS A 158 -3.014 -5.172 -8.679 1.00 0.00 C ATOM 2171 ND1 HIS A 158 -3.457 -3.947 -8.234 1.00 0.00 N ATOM 2172 CD2 HIS A 158 -1.743 -4.992 -9.156 1.00 0.00 C ATOM 2173 CE1 HIS A 158 -2.478 -3.051 -8.446 1.00 0.00 C ATOM 2174 NE2 HIS A 158 -1.408 -3.642 -9.010 1.00 0.00 N ATOM 0 H HIS A 158 -6.690 -7.440 -9.375 1.00 0.00 H new ATOM 0 HA HIS A 158 -5.410 -5.704 -9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 158 -4.302 -6.554 -7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 158 -3.080 -7.295 -8.720 1.00 0.00 H new ATOM 0 HD1 HIS A 158 -4.368 -3.753 -7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 158 -1.109 -5.760 -9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 158 -2.541 -2.002 -8.198 1.00 0.00 H new ATOM 2182 N GLY A 159 -3.488 -5.649 -11.658 1.00 0.00 N ATOM 2183 CA GLY A 159 -2.734 -5.590 -12.925 1.00 0.00 C ATOM 2184 C GLY A 159 -3.589 -5.318 -14.171 1.00 0.00 C ATOM 2185 O GLY A 159 -3.075 -4.771 -15.150 1.00 0.00 O ATOM 0 H GLY A 159 -3.420 -4.785 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -1.976 -4.811 -12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -2.207 -6.534 -13.062 1.00 0.00 H new ATOM 2189 N THR A 160 -4.883 -5.660 -14.130 1.00 0.00 N ATOM 2190 CA THR A 160 -5.922 -5.257 -15.091 1.00 0.00 C ATOM 2191 C THR A 160 -6.248 -3.767 -14.977 1.00 0.00 C ATOM 2192 O THR A 160 -5.772 -3.078 -14.074 1.00 0.00 O ATOM 2193 CB THR A 160 -7.183 -6.117 -14.900 1.00 0.00 C ATOM 2194 OG1 THR A 160 -7.452 -6.291 -13.525 1.00 0.00 O ATOM 2195 CG2 THR A 160 -7.008 -7.493 -15.545 1.00 0.00 C ATOM 0 H THR A 160 -5.254 -6.255 -13.389 1.00 0.00 H new ATOM 0 HA THR A 160 -5.536 -5.424 -16.097 1.00 0.00 H new ATOM 0 HB THR A 160 -8.014 -5.599 -15.378 1.00 0.00 H new ATOM 0 HG1 THR A 160 -8.258 -6.838 -13.416 1.00 0.00 H new ATOM 0 HG21 THR A 160 -7.913 -8.082 -15.396 1.00 0.00 H new ATOM 0 HG22 THR A 160 -6.824 -7.374 -16.613 1.00 0.00 H new ATOM 0 HG23 THR A 160 -6.162 -8.005 -15.086 1.00 0.00 H new ATOM 2203 N LEU A 161 -7.051 -3.259 -15.918 1.00 0.00 N ATOM 2204 CA LEU A 161 -7.396 -1.837 -16.024 1.00 0.00 C ATOM 2205 C LEU A 161 -8.194 -1.341 -14.804 1.00 0.00 C ATOM 2206 O LEU A 161 -7.872 -0.282 -14.256 1.00 0.00 O ATOM 2207 CB LEU A 161 -8.179 -1.565 -17.328 1.00 0.00 C ATOM 2208 CG LEU A 161 -7.463 -1.977 -18.636 1.00 0.00 C ATOM 2209 CD1 LEU A 161 -7.863 -3.393 -19.095 1.00 0.00 C ATOM 2210 CD2 LEU A 161 -7.804 -0.991 -19.764 1.00 0.00 C ATOM 0 H LEU A 161 -7.487 -3.834 -16.639 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.460 -1.279 -16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -9.132 -2.092 -17.275 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -8.406 -0.500 -17.379 1.00 0.00 H new ATOM 0 HG LEU A 161 -6.394 -1.965 -18.425 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -7.336 -3.639 -20.017 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -7.598 -4.114 -18.322 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -8.938 -3.428 -19.271 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -7.293 -1.293 -20.678 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -8.881 -0.990 -19.933 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.480 0.011 -19.482 1.00 0.00 H new ATOM 2222 N LEU A 162 -9.209 -2.116 -14.389 1.00 0.00 N ATOM 2223 CA LEU A 162 -10.123 -1.854 -13.257 1.00 0.00 C ATOM 2224 C LEU A 162 -10.923 -0.539 -13.437 1.00 0.00 C ATOM 2225 O LEU A 162 -10.881 0.084 -14.502 1.00 0.00 O ATOM 2226 CB LEU A 162 -9.343 -1.938 -11.917 1.00 0.00 C ATOM 2227 CG LEU A 162 -8.606 -3.276 -11.673 1.00 0.00 C ATOM 2228 CD1 LEU A 162 -7.742 -3.171 -10.409 1.00 0.00 C ATOM 2229 CD2 LEU A 162 -9.582 -4.456 -11.534 1.00 0.00 C ATOM 0 H LEU A 162 -9.429 -2.994 -14.859 1.00 0.00 H new ATOM 0 HA LEU A 162 -10.885 -2.633 -13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -8.614 -1.128 -11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -10.041 -1.770 -11.097 1.00 0.00 H new ATOM 0 HG LEU A 162 -7.976 -3.467 -12.542 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -7.225 -4.116 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -7.009 -2.374 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -8.377 -2.948 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -9.020 -5.375 -11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -10.250 -4.278 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -10.168 -4.553 -12.448 1.00 0.00 H new ATOM 2241 N ARG A 163 -11.676 -0.127 -12.404 1.00 0.00 N ATOM 2242 CA ARG A 163 -12.481 1.109 -12.375 1.00 0.00 C ATOM 2243 C ARG A 163 -12.938 1.477 -10.955 1.00 0.00 C ATOM 2244 O ARG A 163 -13.285 0.587 -10.172 1.00 0.00 O ATOM 2245 CB ARG A 163 -13.680 1.051 -13.356 1.00 0.00 C ATOM 2246 CG ARG A 163 -14.958 0.341 -12.867 1.00 0.00 C ATOM 2247 CD ARG A 163 -14.782 -1.142 -12.504 1.00 0.00 C ATOM 2248 NE ARG A 163 -16.020 -1.697 -11.926 1.00 0.00 N ATOM 2249 CZ ARG A 163 -16.440 -1.566 -10.671 1.00 0.00 C ATOM 2250 NH1 ARG A 163 -15.755 -0.905 -9.759 1.00 0.00 N1+ ATOM 2251 NH2 ARG A 163 -17.583 -2.106 -10.307 1.00 0.00 N ATOM 0 H ARG A 163 -11.745 -0.661 -11.538 1.00 0.00 H new ATOM 0 HA ARG A 163 -11.822 1.907 -12.716 1.00 0.00 H new ATOM 0 HB2 ARG A 163 -13.944 2.073 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 163 -13.346 0.556 -14.268 1.00 0.00 H new ATOM 0 HG2 ARG A 163 -15.337 0.870 -11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 163 -15.719 0.421 -13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 163 -14.507 -1.708 -13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 163 -13.964 -1.251 -11.792 1.00 0.00 H new ATOM 0 HE ARG A 163 -16.616 -2.237 -12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 163 -14.866 -0.470 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 163 -16.114 -0.829 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 163 -18.142 -2.622 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 163 -17.910 -2.009 -9.346 1.00 0.00 H new ATOM 2265 N GLY A 164 -13.013 2.773 -10.648 1.00 0.00 N ATOM 2266 CA GLY A 164 -13.563 3.323 -9.398 1.00 0.00 C ATOM 2267 C GLY A 164 -15.035 3.721 -9.552 1.00 0.00 C ATOM 2268 O GLY A 164 -15.385 4.494 -10.452 1.00 0.00 O ATOM 0 H GLY A 164 -12.681 3.499 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -13.467 2.584 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -12.980 4.193 -9.096 1.00 0.00 H new