USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 TYR OH : rot -90:sc= -0.353! USER MOD Set 1.2: A 119 CYS SG : rot 72:sc= -1.01! USER MOD Set 1.3: A 120 ASN :FLIP amide:sc= -2.48 F(o=-6.6!,f=-3.8) USER MOD Set 2.1: A 40 ASN : amide:sc= 0.252 K(o=0.63,f=-0.66) USER MOD Set 2.2: A 51 THR OG1 : rot -103:sc= 0.378 USER MOD Set 3.1: A 35 HIS :FLIP no HE2:sc= 0.221 F(o=-2.2,f=0.23) USER MOD Set 3.2: A 124 TYR OH : rot -74:sc= 0.0076 USER MOD Single : A 12 SER OG : rot 180:sc= -0.952 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.079) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.186 F(o=-0.9,f=-0.19) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 37 CYS SG : rot -116:sc= 0.949 USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00102 USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= -4.75! (180deg=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.645 K(o=-0.65,f=-3.8!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0606 F(o=-1.2!,f=-0.061) USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 1.28 (180deg=-0.201) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -165:sc= -3.27! (180deg=-3.53!) USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.438 USER MOD Single : A 71 THR OG1 : rot 54:sc= -0.09 USER MOD Single : A 73 LYS NZ :NH3+ -105:sc= -1.38! (180deg=-3.43!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -160:sc= -2.88 USER MOD Single : A 81 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.85) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -129:sc= -1.16 (180deg=-2.93!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.241 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.0864 F(o=-1.7,f=-0.086) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 52:sc= 1.17 USER MOD Single : A 128 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -7.27! C(o=-7.3!,f=-7.6!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.336 12.987 -12.711 1.00 0.00 N ATOM 118 CA SER A 12 -0.411 11.749 -11.943 1.00 0.00 C ATOM 119 C SER A 12 0.680 11.703 -10.878 1.00 0.00 C ATOM 120 O SER A 12 1.742 12.308 -11.034 1.00 0.00 O ATOM 121 CB SER A 12 -0.286 10.540 -12.871 1.00 0.00 C ATOM 122 OG SER A 12 -1.465 10.358 -13.636 1.00 0.00 O ATOM 0 HA SER A 12 -1.380 11.717 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.566 10.676 -13.537 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.090 9.644 -12.282 1.00 0.00 H new ATOM 0 HG SER A 12 -1.358 9.580 -14.222 1.00 0.00 H new ATOM 128 N PHE A 13 0.411 10.982 -9.795 1.00 0.00 N ATOM 129 CA PHE A 13 1.369 10.856 -8.703 1.00 0.00 C ATOM 130 C PHE A 13 2.138 9.542 -8.801 1.00 0.00 C ATOM 131 O PHE A 13 1.902 8.738 -9.703 1.00 0.00 O ATOM 132 CB PHE A 13 0.651 10.941 -7.354 1.00 0.00 C ATOM 133 CG PHE A 13 0.045 12.288 -7.081 1.00 0.00 C ATOM 134 CD1 PHE A 13 -0.923 12.810 -7.924 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.443 13.031 -5.982 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.481 14.050 -7.675 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.112 14.271 -5.727 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.076 14.780 -6.575 1.00 0.00 C ATOM 0 H PHE A 13 -0.463 10.476 -9.650 1.00 0.00 H new ATOM 0 HA PHE A 13 2.080 11.678 -8.781 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.134 10.185 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.358 10.702 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.245 12.242 -8.784 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.196 12.637 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.233 14.448 -8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.207 14.840 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.513 15.748 -6.378 1.00 0.00 H new ATOM 148 N VAL A 14 3.059 9.330 -7.866 1.00 0.00 N ATOM 149 CA VAL A 14 3.862 8.114 -7.846 1.00 0.00 C ATOM 150 C VAL A 14 4.164 7.678 -6.417 1.00 0.00 C ATOM 151 O VAL A 14 3.905 8.414 -5.464 1.00 0.00 O ATOM 152 CB VAL A 14 5.189 8.305 -8.604 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.927 8.653 -10.062 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.035 9.378 -7.935 1.00 0.00 C ATOM 0 H VAL A 14 3.267 9.985 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 14 3.277 7.340 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 14 5.743 7.367 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.876 8.784 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.364 7.847 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.352 9.578 -10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.969 9.500 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.490 10.322 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.253 9.082 -6.909 1.00 0.00 H new ATOM 164 N LEU A 15 4.715 6.478 -6.274 1.00 0.00 N ATOM 165 CA LEU A 15 5.054 5.943 -4.960 1.00 0.00 C ATOM 166 C LEU A 15 6.508 6.240 -4.609 1.00 0.00 C ATOM 167 O LEU A 15 7.401 6.089 -5.443 1.00 0.00 O ATOM 168 CB LEU A 15 4.807 4.434 -4.922 1.00 0.00 C ATOM 169 CG LEU A 15 3.461 3.960 -5.472 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.578 2.550 -6.030 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.392 4.021 -4.391 1.00 0.00 C ATOM 0 H LEU A 15 4.937 5.857 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 15 4.415 6.428 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.600 3.942 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.893 4.098 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 15 3.167 4.626 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.610 2.230 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.313 2.537 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.895 1.871 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.441 3.680 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.680 3.379 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.289 5.047 -4.039 1.00 0.00 H new ATOM 183 N ASP A 16 6.738 6.662 -3.371 1.00 0.00 N ATOM 184 CA ASP A 16 8.085 6.978 -2.909 1.00 0.00 C ATOM 185 C ASP A 16 8.682 5.807 -2.135 1.00 0.00 C ATOM 186 O ASP A 16 9.549 5.991 -1.281 1.00 0.00 O ATOM 187 CB ASP A 16 8.065 8.229 -2.029 1.00 0.00 C ATOM 188 CG ASP A 16 9.396 8.955 -2.024 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.431 8.294 -1.796 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.403 10.183 -2.250 1.00 0.00 O ATOM 0 H ASP A 16 6.010 6.793 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 16 8.707 7.168 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.287 8.906 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.804 7.948 -1.009 1.00 0.00 H new ATOM 195 N PHE A 17 8.212 4.602 -2.439 1.00 0.00 N ATOM 196 CA PHE A 17 8.698 3.400 -1.771 1.00 0.00 C ATOM 197 C PHE A 17 8.785 2.232 -2.749 1.00 0.00 C ATOM 198 O PHE A 17 7.997 2.136 -3.690 1.00 0.00 O ATOM 199 CB PHE A 17 7.781 3.035 -0.602 1.00 0.00 C ATOM 200 CG PHE A 17 6.336 2.905 -0.991 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.848 1.715 -1.507 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.466 3.973 -0.842 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.519 1.592 -1.866 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.136 3.855 -1.199 1.00 0.00 C ATOM 205 CZ PHE A 17 3.662 2.664 -1.713 1.00 0.00 C ATOM 0 H PHE A 17 7.495 4.432 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 17 9.698 3.605 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.118 2.094 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.873 3.796 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.514 0.874 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.831 4.908 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.151 0.659 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.467 4.694 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.624 2.571 -1.995 1.00 0.00 H new ATOM 215 N SER A 18 9.749 1.346 -2.519 1.00 0.00 N ATOM 216 CA SER A 18 9.943 0.186 -3.381 1.00 0.00 C ATOM 217 C SER A 18 8.905 -0.892 -3.082 1.00 0.00 C ATOM 218 O SER A 18 8.474 -1.054 -1.941 1.00 0.00 O ATOM 219 CB SER A 18 11.352 -0.382 -3.199 1.00 0.00 C ATOM 220 OG SER A 18 11.517 -0.930 -1.902 1.00 0.00 O ATOM 0 H SER A 18 10.408 1.409 -1.743 1.00 0.00 H new ATOM 0 HA SER A 18 9.820 0.508 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.537 -1.151 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.089 0.405 -3.361 1.00 0.00 H new ATOM 0 HG SER A 18 12.425 -1.288 -1.811 1.00 0.00 H new ATOM 226 N GLN A 19 8.509 -1.626 -4.117 1.00 0.00 N ATOM 227 CA GLN A 19 7.522 -2.689 -3.966 1.00 0.00 C ATOM 228 C GLN A 19 8.011 -3.751 -2.988 1.00 0.00 C ATOM 229 O GLN A 19 9.171 -4.163 -3.010 1.00 0.00 O ATOM 230 CB GLN A 19 7.218 -3.328 -5.322 1.00 0.00 C ATOM 231 CG GLN A 19 6.859 -2.321 -6.403 1.00 0.00 C ATOM 232 CD GLN A 19 5.901 -1.253 -5.911 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.226 -0.066 -5.907 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.713 -1.672 -5.492 1.00 0.00 N ATOM 0 H GLN A 19 8.856 -1.504 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 19 6.608 -2.248 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.086 -3.902 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.395 -4.033 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.769 -1.846 -6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.411 -2.845 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.486 -2.666 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.027 -1.000 -5.149 1.00 0.00 H new ATOM 243 N PRO A 20 7.107 -4.207 -2.107 1.00 0.00 N ATOM 244 CA PRO A 20 7.424 -5.228 -1.104 1.00 0.00 C ATOM 245 C PRO A 20 7.654 -6.601 -1.727 1.00 0.00 C ATOM 246 O PRO A 20 8.547 -7.339 -1.312 1.00 0.00 O ATOM 247 CB PRO A 20 6.180 -5.247 -0.213 1.00 0.00 C ATOM 248 CG PRO A 20 5.079 -4.756 -1.088 1.00 0.00 C ATOM 249 CD PRO A 20 5.707 -3.760 -2.024 1.00 0.00 C ATOM 0 HA PRO A 20 8.346 -5.001 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.974 -6.251 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.308 -4.606 0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.624 -5.578 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.289 -4.292 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.224 -3.767 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.632 -2.743 -1.638 1.00 0.00 H new ATOM 257 N SER A 21 6.843 -6.936 -2.725 1.00 0.00 N ATOM 258 CA SER A 21 6.956 -8.222 -3.403 1.00 0.00 C ATOM 259 C SER A 21 8.375 -8.440 -3.922 1.00 0.00 C ATOM 260 O SER A 21 8.879 -9.562 -3.930 1.00 0.00 O ATOM 261 CB SER A 21 5.960 -8.301 -4.562 1.00 0.00 C ATOM 262 OG SER A 21 6.061 -9.543 -5.237 1.00 0.00 O ATOM 0 H SER A 21 6.100 -6.335 -3.082 1.00 0.00 H new ATOM 0 HA SER A 21 6.727 -9.006 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.946 -8.170 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.147 -7.487 -5.262 1.00 0.00 H new ATOM 0 HG SER A 21 5.413 -9.569 -5.972 1.00 0.00 H new ATOM 268 N ALA A 22 9.012 -7.357 -4.354 1.00 0.00 N ATOM 269 CA ALA A 22 10.373 -7.428 -4.873 1.00 0.00 C ATOM 270 C ALA A 22 11.183 -8.495 -4.144 1.00 0.00 C ATOM 271 O ALA A 22 11.859 -9.310 -4.772 1.00 0.00 O ATOM 272 CB ALA A 22 11.054 -6.072 -4.754 1.00 0.00 C ATOM 0 H ALA A 22 8.608 -6.420 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 22 10.321 -7.705 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.069 -6.139 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.493 -5.332 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.088 -5.772 -3.707 1.00 0.00 H new ATOM 278 N ASP A 23 11.110 -8.483 -2.818 1.00 0.00 N ATOM 279 CA ASP A 23 11.837 -9.451 -2.004 1.00 0.00 C ATOM 280 C ASP A 23 10.894 -10.518 -1.457 1.00 0.00 C ATOM 281 O ASP A 23 10.219 -10.307 -0.449 1.00 0.00 O ATOM 282 CB ASP A 23 12.552 -8.745 -0.851 1.00 0.00 C ATOM 283 CG ASP A 23 13.537 -7.698 -1.334 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.291 -7.988 -2.286 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.552 -6.589 -0.761 1.00 0.00 O ATOM 0 H ASP A 23 10.555 -7.814 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 23 12.579 -9.937 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.813 -8.273 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.079 -9.484 -0.247 1.00 0.00 H new ATOM 290 N TYR A 24 10.853 -11.663 -2.129 1.00 0.00 N ATOM 291 CA TYR A 24 9.990 -12.763 -1.712 1.00 0.00 C ATOM 292 C TYR A 24 10.270 -13.157 -0.265 1.00 0.00 C ATOM 293 O TYR A 24 9.350 -13.298 0.542 1.00 0.00 O ATOM 294 CB TYR A 24 10.188 -13.970 -2.630 1.00 0.00 C ATOM 295 CG TYR A 24 9.124 -15.032 -2.471 1.00 0.00 C ATOM 296 CD1 TYR A 24 7.841 -14.837 -2.968 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.401 -16.230 -1.824 1.00 0.00 C ATOM 298 CE1 TYR A 24 6.865 -15.805 -2.825 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.432 -17.204 -1.678 1.00 0.00 C ATOM 300 CZ TYR A 24 7.165 -16.986 -2.180 1.00 0.00 C ATOM 301 OH TYR A 24 6.197 -17.953 -2.035 1.00 0.00 O ATOM 0 H TYR A 24 11.407 -11.854 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 24 8.955 -12.427 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.199 -13.630 -3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.164 -14.412 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.603 -13.913 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.391 -16.403 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.873 -15.637 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.665 -18.130 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 24 6.572 -18.723 -1.559 1.00 0.00 H new ATOM 311 N LEU A 25 11.547 -13.334 0.056 1.00 0.00 N ATOM 312 CA LEU A 25 11.951 -13.712 1.405 1.00 0.00 C ATOM 313 C LEU A 25 11.671 -12.585 2.393 1.00 0.00 C ATOM 314 O LEU A 25 10.861 -12.734 3.308 1.00 0.00 O ATOM 315 CB LEU A 25 13.438 -14.072 1.432 1.00 0.00 C ATOM 316 CG LEU A 25 13.778 -15.539 1.171 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.076 -16.438 2.177 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.399 -15.930 -0.251 1.00 0.00 C ATOM 0 H LEU A 25 12.320 -13.222 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 25 11.367 -14.584 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.952 -13.463 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.841 -13.794 2.406 1.00 0.00 H new ATOM 0 HG LEU A 25 14.854 -15.668 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.330 -17.478 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.396 -16.175 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.997 -16.305 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.648 -16.978 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.329 -15.784 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.949 -15.308 -0.958 1.00 0.00 H new ATOM 330 N ASP A 26 12.345 -11.456 2.201 1.00 0.00 N ATOM 331 CA ASP A 26 12.167 -10.301 3.073 1.00 0.00 C ATOM 332 C ASP A 26 10.687 -9.973 3.245 1.00 0.00 C ATOM 333 O ASP A 26 10.283 -9.384 4.248 1.00 0.00 O ATOM 334 CB ASP A 26 12.908 -9.089 2.508 1.00 0.00 C ATOM 335 CG ASP A 26 13.061 -7.976 3.527 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.287 -7.960 4.507 1.00 0.00 O ATOM 337 OD2 ASP A 26 13.953 -7.122 3.344 1.00 0.00 O ATOM 0 H ASP A 26 13.020 -11.316 1.449 1.00 0.00 H new ATOM 0 HA ASP A 26 12.582 -10.548 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.894 -9.399 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.370 -8.710 1.639 1.00 0.00 H new ATOM 342 N PHE A 27 9.883 -10.357 2.259 1.00 0.00 N ATOM 343 CA PHE A 27 8.447 -10.102 2.300 1.00 0.00 C ATOM 344 C PHE A 27 7.737 -11.132 3.173 1.00 0.00 C ATOM 345 O PHE A 27 7.137 -10.789 4.192 1.00 0.00 O ATOM 346 CB PHE A 27 7.864 -10.126 0.886 1.00 0.00 C ATOM 347 CG PHE A 27 6.367 -10.255 0.857 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.766 -11.503 0.877 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.562 -9.128 0.809 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.389 -11.625 0.851 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.185 -9.244 0.783 1.00 0.00 C ATOM 352 CZ PHE A 27 3.598 -10.494 0.803 1.00 0.00 C ATOM 0 H PHE A 27 10.201 -10.846 1.422 1.00 0.00 H new ATOM 0 HA PHE A 27 8.290 -9.114 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.152 -9.212 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.303 -10.957 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.380 -12.391 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.016 -8.148 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.933 -12.604 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.569 -8.358 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.522 -10.587 0.781 1.00 0.00 H new ATOM 362 N ARG A 28 7.808 -12.395 2.765 1.00 0.00 N ATOM 363 CA ARG A 28 7.170 -13.475 3.509 1.00 0.00 C ATOM 364 C ARG A 28 7.466 -13.356 5.001 1.00 0.00 C ATOM 365 O ARG A 28 6.595 -13.592 5.837 1.00 0.00 O ATOM 366 CB ARG A 28 7.648 -14.832 2.989 1.00 0.00 C ATOM 367 CG ARG A 28 8.971 -15.281 3.587 1.00 0.00 C ATOM 368 CD ARG A 28 9.239 -16.751 3.305 1.00 0.00 C ATOM 369 NE ARG A 28 8.715 -17.616 4.359 1.00 0.00 N ATOM 370 CZ ARG A 28 8.693 -18.941 4.279 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.164 -19.552 3.200 1.00 0.00 N ATOM 372 NH2 ARG A 28 8.199 -19.659 5.280 1.00 0.00 N ATOM 0 H ARG A 28 8.301 -12.696 1.924 1.00 0.00 H new ATOM 0 HA ARG A 28 6.093 -13.397 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.888 -15.583 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.747 -14.782 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.781 -14.677 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.961 -15.112 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.786 -17.026 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.313 -16.911 3.205 1.00 0.00 H new ATOM 0 HE ARG A 28 8.346 -17.178 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.545 -19.004 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.146 -20.570 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.836 -19.193 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.182 -20.677 5.218 1.00 0.00 H new ATOM 386 N ASN A 29 8.702 -12.990 5.326 1.00 0.00 N ATOM 387 CA ASN A 29 9.113 -12.842 6.718 1.00 0.00 C ATOM 388 C ASN A 29 8.142 -11.945 7.479 1.00 0.00 C ATOM 389 O ASN A 29 7.890 -12.153 8.666 1.00 0.00 O ATOM 390 CB ASN A 29 10.527 -12.263 6.794 1.00 0.00 C ATOM 391 CG ASN A 29 11.595 -13.310 6.545 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.365 -13.128 5.478 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.727 -14.271 7.303 1.00 0.00 N flip ATOM 0 H ASN A 29 9.435 -12.791 4.646 1.00 0.00 H new ATOM 0 HA ASN A 29 9.106 -13.829 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.629 -11.463 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.682 -11.817 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.113 -14.371 8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.450 -14.967 7.123 1.00 0.00 H new ATOM 400 N ARG A 30 7.600 -10.948 6.788 1.00 0.00 N ATOM 401 CA ARG A 30 6.657 -10.018 7.399 1.00 0.00 C ATOM 402 C ARG A 30 5.256 -10.620 7.449 1.00 0.00 C ATOM 403 O ARG A 30 4.478 -10.334 8.360 1.00 0.00 O ATOM 404 CB ARG A 30 6.631 -8.701 6.622 1.00 0.00 C ATOM 405 CG ARG A 30 7.994 -8.272 6.104 1.00 0.00 C ATOM 406 CD ARG A 30 8.922 -7.873 7.241 1.00 0.00 C ATOM 407 NE ARG A 30 9.372 -9.030 8.011 1.00 0.00 N ATOM 408 CZ ARG A 30 10.386 -8.992 8.868 1.00 0.00 C ATOM 409 NH1 ARG A 30 11.052 -7.862 9.064 1.00 0.00 N ATOM 410 NH2 ARG A 30 10.737 -10.087 9.531 1.00 0.00 N ATOM 0 H ARG A 30 7.797 -10.763 5.805 1.00 0.00 H new ATOM 0 HA ARG A 30 6.987 -9.823 8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.946 -8.799 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.233 -7.917 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.442 -9.088 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.876 -7.433 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.787 -7.348 6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.407 -7.176 7.902 1.00 0.00 H new ATOM 0 HE ARG A 30 8.881 -9.915 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.786 -7.019 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.830 -7.836 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.228 -10.958 9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.516 -10.057 10.189 1.00 0.00 H new ATOM 424 N LEU A 31 4.941 -11.454 6.464 1.00 0.00 N ATOM 425 CA LEU A 31 3.633 -12.096 6.395 1.00 0.00 C ATOM 426 C LEU A 31 3.524 -13.223 7.417 1.00 0.00 C ATOM 427 O LEU A 31 2.432 -13.713 7.701 1.00 0.00 O ATOM 428 CB LEU A 31 3.385 -12.644 4.988 1.00 0.00 C ATOM 429 CG LEU A 31 2.036 -13.326 4.761 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.937 -12.290 4.584 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.101 -14.249 3.553 1.00 0.00 C ATOM 0 H LEU A 31 5.573 -11.701 5.703 1.00 0.00 H new ATOM 0 HA LEU A 31 2.876 -11.346 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.478 -11.822 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.174 -13.358 4.754 1.00 0.00 H new ATOM 0 HG LEU A 31 1.802 -13.927 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.016 -12.794 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.874 -11.670 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.165 -11.662 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.132 -14.726 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.358 -13.670 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.860 -15.013 3.720 1.00 0.00 H new ATOM 443 N GLN A 32 4.665 -13.627 7.968 1.00 0.00 N ATOM 444 CA GLN A 32 4.697 -14.695 8.960 1.00 0.00 C ATOM 445 C GLN A 32 4.792 -14.124 10.372 1.00 0.00 C ATOM 446 O GLN A 32 4.378 -14.763 11.339 1.00 0.00 O ATOM 447 CB GLN A 32 5.878 -15.631 8.695 1.00 0.00 C ATOM 448 CG GLN A 32 6.085 -16.672 9.783 1.00 0.00 C ATOM 449 CD GLN A 32 7.184 -17.660 9.444 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.222 -17.287 8.897 1.00 0.00 O ATOM 451 NE2 GLN A 32 6.960 -18.928 9.767 1.00 0.00 N ATOM 0 H GLN A 32 5.578 -13.231 7.744 1.00 0.00 H new ATOM 0 HA GLN A 32 3.769 -15.261 8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.722 -16.139 7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.786 -15.037 8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.329 -16.170 10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.153 -17.213 9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.085 -19.192 10.220 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.663 -19.638 9.563 1.00 0.00 H new ATOM 460 N ALA A 33 5.340 -12.919 10.481 1.00 0.00 N ATOM 461 CA ALA A 33 5.488 -12.262 11.774 1.00 0.00 C ATOM 462 C ALA A 33 4.339 -11.293 12.032 1.00 0.00 C ATOM 463 O ALA A 33 3.968 -11.046 13.179 1.00 0.00 O ATOM 464 CB ALA A 33 6.822 -11.533 11.846 1.00 0.00 C ATOM 0 H ALA A 33 5.689 -12.378 9.690 1.00 0.00 H new ATOM 0 HA ALA A 33 5.463 -13.029 12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.919 -11.047 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.635 -12.248 11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.869 -10.782 11.058 1.00 0.00 H new ATOM 470 N ASP A 34 3.780 -10.746 10.957 1.00 0.00 N ATOM 471 CA ASP A 34 2.672 -9.804 11.068 1.00 0.00 C ATOM 472 C ASP A 34 1.373 -10.433 10.574 1.00 0.00 C ATOM 473 O ASP A 34 0.286 -9.905 10.812 1.00 0.00 O ATOM 474 CB ASP A 34 2.974 -8.534 10.271 1.00 0.00 C ATOM 475 CG ASP A 34 2.271 -7.315 10.836 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.076 -7.427 11.179 1.00 0.00 O ATOM 477 OD2 ASP A 34 2.916 -6.250 10.934 1.00 0.00 O ATOM 0 H ASP A 34 4.076 -10.939 10.000 1.00 0.00 H new ATOM 0 HA ASP A 34 2.551 -9.544 12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.050 -8.359 10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.669 -8.678 9.234 1.00 0.00 H new ATOM 482 N HIS A 35 1.493 -11.562 9.883 1.00 0.00 N ATOM 483 CA HIS A 35 0.328 -12.263 9.355 1.00 0.00 C ATOM 484 C HIS A 35 -0.385 -11.416 8.305 1.00 0.00 C ATOM 485 O HIS A 35 -1.583 -11.578 8.070 1.00 0.00 O ATOM 486 CB HIS A 35 -0.639 -12.614 10.486 1.00 0.00 C ATOM 487 CG HIS A 35 -0.016 -13.436 11.572 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.130 -13.356 12.919 1.00 0.00 N flip ATOM 489 CD2 HIS A 35 0.842 -14.486 11.323 1.00 0.00 C flip ATOM 490 CE1 HIS A 35 0.652 -14.350 13.453 1.00 0.00 C flip ATOM 491 NE2 HIS A 35 1.227 -15.018 12.470 1.00 0.00 N flip ATOM 0 H HIS A 35 2.385 -12.011 9.676 1.00 0.00 H new ATOM 0 HA HIS A 35 0.672 -13.183 8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.030 -11.693 10.918 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.488 -13.158 10.072 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.692 -12.683 13.440 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.151 -14.821 10.344 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.777 -14.553 14.506 1.00 0.00 H new ATOM 499 N VAL A 36 0.359 -10.511 7.676 1.00 0.00 N ATOM 500 CA VAL A 36 -0.202 -9.639 6.651 1.00 0.00 C ATOM 501 C VAL A 36 0.881 -8.780 6.008 1.00 0.00 C ATOM 502 O VAL A 36 1.801 -8.316 6.682 1.00 0.00 O ATOM 503 CB VAL A 36 -1.293 -8.721 7.231 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.707 -7.798 8.289 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.960 -7.919 6.123 1.00 0.00 C ATOM 0 H VAL A 36 1.352 -10.363 7.859 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.646 -10.285 5.894 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.052 -9.343 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.493 -7.156 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.281 -8.394 9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.073 -7.181 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.729 -7.276 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.214 -7.306 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.416 -8.600 5.405 1.00 0.00 H new ATOM 515 N CYS A 37 0.765 -8.573 4.701 1.00 0.00 N ATOM 516 CA CYS A 37 1.735 -7.769 3.965 1.00 0.00 C ATOM 517 C CYS A 37 1.254 -7.505 2.542 1.00 0.00 C ATOM 518 O CYS A 37 0.698 -8.389 1.889 1.00 0.00 O ATOM 519 CB CYS A 37 3.093 -8.471 3.936 1.00 0.00 C ATOM 520 SG CYS A 37 4.483 -7.376 3.565 1.00 0.00 S ATOM 0 H CYS A 37 0.009 -8.950 4.129 1.00 0.00 H new ATOM 0 HA CYS A 37 1.840 -6.812 4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.266 -8.945 4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.063 -9.267 3.192 1.00 0.00 H new ATOM 0 HG CYS A 37 5.034 -7.739 2.445 1.00 0.00 H new ATOM 526 N LEU A 38 1.471 -6.283 2.067 1.00 0.00 N ATOM 527 CA LEU A 38 1.059 -5.901 0.721 1.00 0.00 C ATOM 528 C LEU A 38 2.009 -6.476 -0.324 1.00 0.00 C ATOM 529 O LEU A 38 3.229 -6.392 -0.180 1.00 0.00 O ATOM 530 CB LEU A 38 1.006 -4.377 0.596 1.00 0.00 C ATOM 531 CG LEU A 38 0.829 -3.826 -0.820 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.647 -3.719 -1.169 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.510 -2.472 -0.954 1.00 0.00 C ATOM 0 H LEU A 38 1.930 -5.540 2.594 1.00 0.00 H new ATOM 0 HA LEU A 38 0.064 -6.309 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.185 -4.010 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.926 -3.966 1.012 1.00 0.00 H new ATOM 0 HG LEU A 38 1.298 -4.517 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.754 -3.325 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.107 -4.706 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.140 -3.049 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.374 -2.095 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.070 -1.772 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.575 -2.578 -0.746 1.00 0.00 H new ATOM 545 N GLU A 39 1.442 -7.059 -1.375 1.00 0.00 N ATOM 546 CA GLU A 39 2.241 -7.647 -2.445 1.00 0.00 C ATOM 547 C GLU A 39 2.658 -6.586 -3.458 1.00 0.00 C ATOM 548 O GLU A 39 3.838 -6.256 -3.577 1.00 0.00 O ATOM 549 CB GLU A 39 1.455 -8.757 -3.146 1.00 0.00 C ATOM 550 CG GLU A 39 2.315 -9.646 -4.030 1.00 0.00 C ATOM 551 CD GLU A 39 1.546 -10.823 -4.598 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.689 -11.376 -3.877 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.801 -11.190 -5.764 1.00 0.00 O ATOM 0 H GLU A 39 0.434 -7.137 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 39 3.141 -8.073 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.963 -9.374 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.669 -8.307 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.721 -9.053 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.163 -10.015 -3.453 1.00 0.00 H new ATOM 560 N ASN A 40 1.682 -6.056 -4.187 1.00 0.00 N ATOM 561 CA ASN A 40 1.947 -5.032 -5.192 1.00 0.00 C ATOM 562 C ASN A 40 0.922 -3.906 -5.105 1.00 0.00 C ATOM 563 O ASN A 40 -0.268 -4.150 -4.906 1.00 0.00 O ATOM 564 CB ASN A 40 1.929 -5.647 -6.593 1.00 0.00 C ATOM 565 CG ASN A 40 0.558 -6.167 -6.979 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.216 -7.316 -6.697 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.235 -5.322 -7.627 1.00 0.00 N ATOM 0 H ASN A 40 0.700 -6.318 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 40 2.935 -4.615 -4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.249 -4.899 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.650 -6.463 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.169 -5.616 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.090 -4.379 -7.840 1.00 0.00 H new ATOM 574 N CYS A 41 1.392 -2.673 -5.257 1.00 0.00 N ATOM 575 CA CYS A 41 0.516 -1.508 -5.196 1.00 0.00 C ATOM 576 C CYS A 41 0.832 -0.531 -6.324 1.00 0.00 C ATOM 577 O CYS A 41 1.979 -0.124 -6.504 1.00 0.00 O ATOM 578 CB CYS A 41 0.659 -0.808 -3.844 1.00 0.00 C ATOM 579 SG CYS A 41 -0.522 0.536 -3.580 1.00 0.00 S ATOM 0 H CYS A 41 2.374 -2.454 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.512 -1.850 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.537 -1.545 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.670 -0.411 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.324 1.064 -2.409 1.00 0.00 H new ATOM 585 N VAL A 42 -0.195 -0.160 -7.082 1.00 0.00 N ATOM 586 CA VAL A 42 -0.028 0.769 -8.194 1.00 0.00 C ATOM 587 C VAL A 42 -0.845 2.038 -7.977 1.00 0.00 C ATOM 588 O VAL A 42 -1.748 2.073 -7.140 1.00 0.00 O ATOM 589 CB VAL A 42 -0.444 0.126 -9.530 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.184 -1.252 -9.678 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.959 0.044 -9.633 1.00 0.00 C ATOM 0 H VAL A 42 -1.151 -0.488 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 42 1.031 1.025 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.081 0.754 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.121 -1.691 -10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.270 -1.162 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.146 -1.892 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.235 -0.413 -10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.347 -0.561 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.382 1.047 -9.576 1.00 0.00 H new ATOM 601 N LEU A 43 -0.523 3.079 -8.737 1.00 0.00 N ATOM 602 CA LEU A 43 -1.228 4.352 -8.629 1.00 0.00 C ATOM 603 C LEU A 43 -1.593 4.890 -10.009 1.00 0.00 C ATOM 604 O LEU A 43 -0.718 5.225 -10.808 1.00 0.00 O ATOM 605 CB LEU A 43 -0.367 5.372 -7.882 1.00 0.00 C ATOM 606 CG LEU A 43 -1.118 6.532 -7.227 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.254 7.195 -6.166 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.553 7.546 -8.275 1.00 0.00 C ATOM 0 H LEU A 43 0.221 3.067 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.148 4.184 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.195 4.847 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.361 5.785 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.011 6.135 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.805 8.018 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.006 6.465 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.657 7.578 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.086 8.364 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.675 7.938 -8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.210 7.063 -8.998 1.00 0.00 H new ATOM 620 N LYS A 44 -2.891 4.973 -10.282 1.00 0.00 N ATOM 621 CA LYS A 44 -3.373 5.474 -11.563 1.00 0.00 C ATOM 622 C LYS A 44 -3.552 6.989 -11.522 1.00 0.00 C ATOM 623 O LYS A 44 -3.214 7.637 -10.532 1.00 0.00 O ATOM 624 CB LYS A 44 -4.699 4.803 -11.930 1.00 0.00 C ATOM 625 CG LYS A 44 -4.533 3.419 -12.533 1.00 0.00 C ATOM 626 CD LYS A 44 -4.638 2.334 -11.475 1.00 0.00 C ATOM 627 CE LYS A 44 -6.073 1.857 -11.307 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.287 1.197 -9.989 1.00 0.00 N ATOM 0 H LYS A 44 -3.628 4.699 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.629 5.234 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.319 4.729 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.234 5.437 -12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.295 3.260 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.565 3.351 -13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.003 1.492 -11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.266 2.715 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.751 2.705 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.320 1.159 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.630 0.227 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.389 1.170 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.991 1.733 -9.443 1.00 0.00 H new ATOM 642 N ASP A 45 -4.087 7.546 -12.603 1.00 0.00 N ATOM 643 CA ASP A 45 -4.313 8.984 -12.690 1.00 0.00 C ATOM 644 C ASP A 45 -4.978 9.507 -11.420 1.00 0.00 C ATOM 645 O ASP A 45 -4.347 10.185 -10.609 1.00 0.00 O ATOM 646 CB ASP A 45 -5.179 9.313 -13.907 1.00 0.00 C ATOM 647 CG ASP A 45 -6.289 8.303 -14.118 1.00 0.00 C ATOM 648 OD1 ASP A 45 -5.993 7.187 -14.593 1.00 0.00 O ATOM 649 OD2 ASP A 45 -7.455 8.628 -13.809 1.00 0.00 O ATOM 0 H ASP A 45 -4.372 7.023 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.345 9.473 -12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.613 10.305 -13.783 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.551 9.349 -14.797 1.00 0.00 H new ATOM 654 N LYS A 46 -6.258 9.188 -11.254 1.00 0.00 N ATOM 655 CA LYS A 46 -7.010 9.624 -10.084 1.00 0.00 C ATOM 656 C LYS A 46 -7.558 8.428 -9.312 1.00 0.00 C ATOM 657 O LYS A 46 -8.668 8.475 -8.782 1.00 0.00 O ATOM 658 CB LYS A 46 -8.159 10.543 -10.505 1.00 0.00 C ATOM 659 CG LYS A 46 -7.699 11.816 -11.194 1.00 0.00 C ATOM 660 CD LYS A 46 -7.668 11.652 -12.704 1.00 0.00 C ATOM 661 CE LYS A 46 -9.026 11.941 -13.324 1.00 0.00 C ATOM 662 NZ LYS A 46 -8.928 12.168 -14.793 1.00 0.00 N ATOM 0 H LYS A 46 -6.796 8.629 -11.916 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.332 10.175 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.823 9.997 -11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.743 10.808 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.367 12.636 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.706 12.086 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.922 12.324 -13.129 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.361 10.637 -12.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.699 11.106 -13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.463 12.820 -12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.874 12.362 -15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.306 12.981 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.535 11.320 -15.250 1.00 0.00 H new ATOM 676 N ALA A 47 -6.773 7.358 -9.253 1.00 0.00 N ATOM 677 CA ALA A 47 -7.178 6.151 -8.543 1.00 0.00 C ATOM 678 C ALA A 47 -5.975 5.268 -8.228 1.00 0.00 C ATOM 679 O ALA A 47 -4.868 5.519 -8.706 1.00 0.00 O ATOM 680 CB ALA A 47 -8.203 5.378 -9.359 1.00 0.00 C ATOM 0 H ALA A 47 -5.852 7.302 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.632 6.451 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.497 4.479 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.080 6.003 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.768 5.097 -10.318 1.00 0.00 H new ATOM 686 N ILE A 48 -6.199 4.236 -7.423 1.00 0.00 N ATOM 687 CA ILE A 48 -5.133 3.316 -7.046 1.00 0.00 C ATOM 688 C ILE A 48 -5.631 1.875 -7.029 1.00 0.00 C ATOM 689 O ILE A 48 -6.833 1.622 -7.089 1.00 0.00 O ATOM 690 CB ILE A 48 -4.553 3.664 -5.662 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.565 3.333 -4.563 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.163 5.133 -5.605 1.00 0.00 C ATOM 693 CD1 ILE A 48 -5.039 3.573 -3.165 1.00 0.00 C ATOM 0 H ILE A 48 -7.109 4.015 -7.019 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.348 3.417 -7.796 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.658 3.064 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.462 3.934 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.862 2.288 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.755 5.363 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.411 5.340 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.043 5.750 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.809 3.317 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.159 2.952 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.769 4.623 -3.053 1.00 0.00 H new ATOM 705 N ALA A 49 -4.696 0.933 -6.944 1.00 0.00 N ATOM 706 CA ALA A 49 -5.040 -0.483 -6.915 1.00 0.00 C ATOM 707 C ALA A 49 -3.887 -1.316 -6.365 1.00 0.00 C ATOM 708 O ALA A 49 -2.748 -1.189 -6.812 1.00 0.00 O ATOM 709 CB ALA A 49 -5.423 -0.962 -8.308 1.00 0.00 C ATOM 0 H ALA A 49 -3.696 1.125 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.895 -0.611 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.677 -2.021 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.283 -0.394 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.584 -0.814 -8.987 1.00 0.00 H new ATOM 715 N GLY A 50 -4.191 -2.169 -5.392 1.00 0.00 N ATOM 716 CA GLY A 50 -3.169 -3.010 -4.796 1.00 0.00 C ATOM 717 C GLY A 50 -3.745 -4.259 -4.158 1.00 0.00 C ATOM 718 O GLY A 50 -4.893 -4.265 -3.712 1.00 0.00 O ATOM 0 H GLY A 50 -5.127 -2.293 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.447 -3.296 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.626 -2.439 -4.043 1.00 0.00 H new ATOM 722 N THR A 51 -2.947 -5.321 -4.114 1.00 0.00 N ATOM 723 CA THR A 51 -3.385 -6.582 -3.528 1.00 0.00 C ATOM 724 C THR A 51 -2.676 -6.850 -2.206 1.00 0.00 C ATOM 725 O THR A 51 -1.450 -6.769 -2.120 1.00 0.00 O ATOM 726 CB THR A 51 -3.130 -7.763 -4.483 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.735 -7.846 -4.798 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.936 -7.608 -5.764 1.00 0.00 C ATOM 0 H THR A 51 -1.994 -5.333 -4.477 1.00 0.00 H new ATOM 0 HA THR A 51 -4.457 -6.493 -3.350 1.00 0.00 H new ATOM 0 HB THR A 51 -3.445 -8.679 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.581 -7.491 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.739 -8.454 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.999 -7.575 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.649 -6.684 -6.265 1.00 0.00 H new ATOM 736 N VAL A 52 -3.453 -7.169 -1.176 1.00 0.00 N ATOM 737 CA VAL A 52 -2.899 -7.451 0.142 1.00 0.00 C ATOM 738 C VAL A 52 -2.917 -8.946 0.438 1.00 0.00 C ATOM 739 O VAL A 52 -3.909 -9.630 0.181 1.00 0.00 O ATOM 740 CB VAL A 52 -3.675 -6.710 1.248 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.109 -7.050 2.618 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.643 -5.209 1.006 1.00 0.00 C ATOM 0 H VAL A 52 -4.469 -7.239 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.868 -7.098 0.133 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.714 -7.037 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.670 -6.517 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.190 -8.124 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.061 -6.753 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.196 -4.701 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.610 -4.862 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.101 -4.986 0.042 1.00 0.00 H new ATOM 752 N LYS A 53 -1.814 -9.450 0.981 1.00 0.00 N ATOM 753 CA LYS A 53 -1.702 -10.865 1.315 1.00 0.00 C ATOM 754 C LYS A 53 -1.931 -11.092 2.806 1.00 0.00 C ATOM 755 O LYS A 53 -1.730 -10.190 3.620 1.00 0.00 O ATOM 756 CB LYS A 53 -0.325 -11.397 0.913 1.00 0.00 C ATOM 757 CG LYS A 53 -0.307 -12.891 0.638 1.00 0.00 C ATOM 758 CD LYS A 53 -0.617 -13.194 -0.819 1.00 0.00 C ATOM 759 CE LYS A 53 0.075 -14.466 -1.283 1.00 0.00 C ATOM 760 NZ LYS A 53 1.518 -14.240 -1.572 1.00 0.00 N ATOM 0 H LYS A 53 -0.984 -8.899 1.199 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.470 -11.405 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.014 -10.868 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.388 -11.173 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.671 -13.297 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.037 -13.388 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.694 -13.296 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.299 -12.358 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.026 -15.234 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.420 -14.842 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.953 -15.131 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.614 -13.526 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.996 -13.905 -0.711 1.00 0.00 H new ATOM 774 N VAL A 54 -2.350 -12.303 3.158 1.00 0.00 N ATOM 775 CA VAL A 54 -2.603 -12.649 4.552 1.00 0.00 C ATOM 776 C VAL A 54 -2.343 -14.130 4.806 1.00 0.00 C ATOM 777 O VAL A 54 -2.279 -14.928 3.871 1.00 0.00 O ATOM 778 CB VAL A 54 -4.051 -12.316 4.959 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.325 -10.830 4.788 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.036 -13.145 4.148 1.00 0.00 C ATOM 0 H VAL A 54 -2.522 -13.061 2.497 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.918 -12.054 5.156 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.181 -12.566 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.353 -10.613 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.641 -10.259 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.178 -10.551 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.054 -12.897 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.908 -12.928 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.853 -14.205 4.326 1.00 0.00 H new ATOM 790 N GLN A 55 -2.195 -14.489 6.077 1.00 0.00 N ATOM 791 CA GLN A 55 -1.942 -15.875 6.454 1.00 0.00 C ATOM 792 C GLN A 55 -3.246 -16.661 6.544 1.00 0.00 C ATOM 793 O GLN A 55 -4.262 -16.146 7.009 1.00 0.00 O ATOM 794 CB GLN A 55 -1.203 -15.934 7.792 1.00 0.00 C ATOM 795 CG GLN A 55 0.309 -15.857 7.656 1.00 0.00 C ATOM 796 CD GLN A 55 0.914 -17.143 7.129 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.549 -17.620 6.054 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.845 -17.713 7.886 1.00 0.00 N ATOM 0 H GLN A 55 -2.246 -13.840 6.862 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.319 -16.328 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.545 -15.114 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.467 -16.860 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.568 -15.037 6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.746 -15.626 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.117 -17.283 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.288 -18.581 7.583 1.00 0.00 H new ATOM 807 N ASN A 56 -3.209 -17.912 6.096 1.00 0.00 N ATOM 808 CA ASN A 56 -4.388 -18.770 6.125 1.00 0.00 C ATOM 809 C ASN A 56 -4.578 -19.386 7.507 1.00 0.00 C ATOM 810 O ASN A 56 -4.670 -20.606 7.648 1.00 0.00 O ATOM 811 CB ASN A 56 -4.266 -19.875 5.074 1.00 0.00 C ATOM 812 CG ASN A 56 -2.864 -20.447 4.996 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.002 -19.798 4.222 1.00 0.00 O flip ATOM 814 ND2 ASN A 56 -2.560 -21.461 5.625 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.375 -18.354 5.709 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.259 -18.156 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.969 -20.674 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.548 -19.478 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.255 -21.927 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.613 -21.835 5.563 1.00 0.00 H new ATOM 821 N LEU A 57 -4.636 -18.535 8.526 1.00 0.00 N ATOM 822 CA LEU A 57 -4.816 -18.995 9.898 1.00 0.00 C ATOM 823 C LEU A 57 -6.240 -19.494 10.123 1.00 0.00 C ATOM 824 O LEU A 57 -6.450 -20.622 10.567 1.00 0.00 O ATOM 825 CB LEU A 57 -4.498 -17.867 10.881 1.00 0.00 C ATOM 826 CG LEU A 57 -3.184 -17.121 10.644 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.046 -15.961 11.617 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.002 -18.071 10.772 1.00 0.00 C ATOM 0 H LEU A 57 -4.561 -17.523 8.427 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.129 -19.823 10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.314 -17.144 10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.479 -18.284 11.888 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.194 -16.719 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.105 -15.442 11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.876 -15.268 11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.058 -16.340 12.639 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.075 -17.524 10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.989 -18.502 11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.094 -18.868 10.034 1.00 0.00 H new ATOM 840 N ALA A 58 -7.215 -18.645 9.812 1.00 0.00 N ATOM 841 CA ALA A 58 -8.619 -19.001 9.976 1.00 0.00 C ATOM 842 C ALA A 58 -9.408 -18.724 8.701 1.00 0.00 C ATOM 843 O ALA A 58 -8.970 -17.959 7.841 1.00 0.00 O ATOM 844 CB ALA A 58 -9.223 -18.242 11.148 1.00 0.00 C ATOM 0 H ALA A 58 -7.058 -17.706 9.445 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.675 -20.070 10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.272 -18.518 11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.684 -18.493 12.061 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.147 -17.170 10.965 1.00 0.00 H new ATOM 850 N PHE A 59 -10.573 -19.352 8.583 1.00 0.00 N ATOM 851 CA PHE A 59 -11.423 -19.174 7.412 1.00 0.00 C ATOM 852 C PHE A 59 -11.913 -17.733 7.309 1.00 0.00 C ATOM 853 O PHE A 59 -11.715 -17.070 6.291 1.00 0.00 O ATOM 854 CB PHE A 59 -12.618 -20.128 7.472 1.00 0.00 C ATOM 855 CG PHE A 59 -12.264 -21.502 7.965 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.198 -21.769 9.323 1.00 0.00 C ATOM 857 CD2 PHE A 59 -11.997 -22.525 7.071 1.00 0.00 C ATOM 858 CE1 PHE A 59 -11.873 -23.033 9.780 1.00 0.00 C ATOM 859 CE2 PHE A 59 -11.672 -23.791 7.522 1.00 0.00 C ATOM 860 CZ PHE A 59 -11.608 -24.044 8.878 1.00 0.00 C ATOM 0 H PHE A 59 -10.950 -19.989 9.285 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.830 -19.402 6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.380 -19.702 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.058 -20.209 6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.403 -20.981 10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.043 -22.332 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.827 -23.229 10.841 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -11.468 -24.581 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.351 -25.031 9.232 1.00 0.00 H new ATOM 870 N GLU A 60 -12.554 -17.255 8.371 1.00 0.00 N ATOM 871 CA GLU A 60 -13.074 -15.893 8.400 1.00 0.00 C ATOM 872 C GLU A 60 -11.944 -14.876 8.257 1.00 0.00 C ATOM 873 O GLU A 60 -10.920 -14.970 8.934 1.00 0.00 O ATOM 874 CB GLU A 60 -13.839 -15.642 9.701 1.00 0.00 C ATOM 875 CG GLU A 60 -13.038 -15.970 10.950 1.00 0.00 C ATOM 876 CD GLU A 60 -13.864 -15.862 12.217 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.809 -16.662 12.380 1.00 0.00 O ATOM 878 OE2 GLU A 60 -13.565 -14.978 13.047 1.00 0.00 O ATOM 0 H GLU A 60 -12.726 -17.790 9.222 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.756 -15.774 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.142 -14.596 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.751 -16.239 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.639 -16.981 10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.185 -15.295 11.018 1.00 0.00 H new ATOM 885 N LYS A 61 -12.139 -13.906 7.371 1.00 0.00 N ATOM 886 CA LYS A 61 -11.139 -12.870 7.138 1.00 0.00 C ATOM 887 C LYS A 61 -11.802 -11.543 6.785 1.00 0.00 C ATOM 888 O LYS A 61 -12.759 -11.501 6.011 1.00 0.00 O ATOM 889 CB LYS A 61 -10.189 -13.293 6.014 1.00 0.00 C ATOM 890 CG LYS A 61 -9.377 -14.535 6.339 1.00 0.00 C ATOM 891 CD LYS A 61 -8.529 -14.971 5.156 1.00 0.00 C ATOM 892 CE LYS A 61 -7.673 -16.181 5.500 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.401 -17.459 5.268 1.00 0.00 N ATOM 0 H LYS A 61 -12.981 -13.815 6.802 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.569 -12.737 8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.769 -13.475 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.508 -12.470 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.733 -14.336 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.048 -15.345 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.176 -15.210 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.888 -14.147 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.764 -16.166 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.365 -16.123 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.483 -17.979 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.351 -17.255 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.878 -18.037 4.579 1.00 0.00 H new ATOM 907 N THR A 62 -11.286 -10.458 7.355 1.00 0.00 N ATOM 908 CA THR A 62 -11.828 -9.130 7.101 1.00 0.00 C ATOM 909 C THR A 62 -10.720 -8.140 6.759 1.00 0.00 C ATOM 910 O THR A 62 -10.150 -7.501 7.643 1.00 0.00 O ATOM 911 CB THR A 62 -12.615 -8.602 8.315 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.699 -9.487 8.619 1.00 0.00 O ATOM 913 CG2 THR A 62 -13.154 -7.205 8.045 1.00 0.00 C ATOM 0 H THR A 62 -10.493 -10.474 7.996 1.00 0.00 H new ATOM 0 HA THR A 62 -12.504 -9.223 6.251 1.00 0.00 H new ATOM 0 HB THR A 62 -11.936 -8.554 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.193 -9.145 9.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.706 -6.853 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.324 -6.528 7.843 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.818 -7.232 7.181 1.00 0.00 H new ATOM 921 N VAL A 63 -10.418 -8.019 5.470 1.00 0.00 N ATOM 922 CA VAL A 63 -9.379 -7.105 5.011 1.00 0.00 C ATOM 923 C VAL A 63 -9.973 -5.768 4.583 1.00 0.00 C ATOM 924 O VAL A 63 -10.940 -5.720 3.822 1.00 0.00 O ATOM 925 CB VAL A 63 -8.587 -7.703 3.833 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.467 -6.764 3.411 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.035 -9.071 4.202 1.00 0.00 C ATOM 0 H VAL A 63 -10.878 -8.543 4.725 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.703 -6.946 5.851 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.264 -7.826 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.919 -7.203 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.890 -5.808 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.788 -6.607 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.478 -9.478 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.372 -8.976 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.858 -9.741 4.451 1.00 0.00 H new ATOM 937 N LYS A 64 -9.387 -4.682 5.076 1.00 0.00 N ATOM 938 CA LYS A 64 -9.855 -3.342 4.744 1.00 0.00 C ATOM 939 C LYS A 64 -8.695 -2.353 4.708 1.00 0.00 C ATOM 940 O LYS A 64 -7.850 -2.340 5.603 1.00 0.00 O ATOM 941 CB LYS A 64 -10.902 -2.879 5.761 1.00 0.00 C ATOM 942 CG LYS A 64 -12.324 -3.252 5.382 1.00 0.00 C ATOM 943 CD LYS A 64 -13.218 -3.359 6.607 1.00 0.00 C ATOM 944 CE LYS A 64 -14.495 -4.126 6.300 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.448 -3.317 5.491 1.00 0.00 N ATOM 0 H LYS A 64 -8.586 -4.704 5.708 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.309 -3.378 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.668 -3.313 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.836 -1.797 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.728 -2.504 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.322 -4.202 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.677 -3.858 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.469 -2.360 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.248 -5.041 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.973 -4.424 7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.305 -3.875 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.704 -2.456 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.002 -3.054 4.589 1.00 0.00 H new ATOM 959 N ILE A 65 -8.661 -1.525 3.669 1.00 0.00 N ATOM 960 CA ILE A 65 -7.605 -0.532 3.518 1.00 0.00 C ATOM 961 C ILE A 65 -8.108 0.863 3.873 1.00 0.00 C ATOM 962 O ILE A 65 -9.143 1.306 3.376 1.00 0.00 O ATOM 963 CB ILE A 65 -7.048 -0.514 2.082 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.443 -1.875 1.731 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.012 0.589 1.929 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.204 -2.210 2.532 1.00 0.00 C ATOM 0 H ILE A 65 -9.353 -1.522 2.919 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.807 -0.814 4.204 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.867 -0.312 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.192 -2.650 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.195 -1.891 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.628 0.589 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.473 1.553 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.192 0.417 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.829 -3.188 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.438 -1.456 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.451 -2.227 3.594 1.00 0.00 H new ATOM 978 N ARG A 66 -7.367 1.552 4.736 1.00 0.00 N ATOM 979 CA ARG A 66 -7.738 2.897 5.157 1.00 0.00 C ATOM 980 C ARG A 66 -6.746 3.927 4.623 1.00 0.00 C ATOM 981 O ARG A 66 -5.547 3.843 4.887 1.00 0.00 O ATOM 982 CB ARG A 66 -7.801 2.978 6.683 1.00 0.00 C ATOM 983 CG ARG A 66 -6.487 2.633 7.366 1.00 0.00 C ATOM 984 CD ARG A 66 -6.598 2.751 8.878 1.00 0.00 C ATOM 985 NE ARG A 66 -5.315 3.072 9.497 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.101 3.033 10.808 1.00 0.00 C ATOM 987 NH1 ARG A 66 -6.080 2.687 11.633 1.00 0.00 N ATOM 988 NH2 ARG A 66 -3.905 3.339 11.296 1.00 0.00 N ATOM 0 H ARG A 66 -6.507 1.200 5.157 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.723 3.120 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.098 3.986 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.576 2.302 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.193 1.618 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.702 3.298 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.325 3.523 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.974 1.814 9.288 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.541 3.341 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.000 2.450 11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.913 2.658 12.639 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.149 3.604 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.742 3.309 12.302 1.00 0.00 H new ATOM 1002 N MET A 67 -7.255 4.897 3.871 1.00 0.00 N ATOM 1003 CA MET A 67 -6.414 5.943 3.301 1.00 0.00 C ATOM 1004 C MET A 67 -6.846 7.319 3.797 1.00 0.00 C ATOM 1005 O MET A 67 -8.032 7.650 3.787 1.00 0.00 O ATOM 1006 CB MET A 67 -6.472 5.897 1.773 1.00 0.00 C ATOM 1007 CG MET A 67 -5.915 7.145 1.106 1.00 0.00 C ATOM 1008 SD MET A 67 -6.390 7.276 -0.628 1.00 0.00 S ATOM 1009 CE MET A 67 -5.158 6.228 -1.397 1.00 0.00 C ATOM 0 H MET A 67 -8.245 4.981 3.642 1.00 0.00 H new ATOM 0 HA MET A 67 -5.388 5.766 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.915 5.028 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.507 5.759 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.266 8.026 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.828 7.138 1.181 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.145 6.410 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.177 6.453 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.402 5.182 -1.210 1.00 0.00 H new ATOM 1019 N THR A 68 -5.876 8.118 4.232 1.00 0.00 N ATOM 1020 CA THR A 68 -6.156 9.457 4.733 1.00 0.00 C ATOM 1021 C THR A 68 -5.510 10.520 3.852 1.00 0.00 C ATOM 1022 O THR A 68 -4.599 10.229 3.078 1.00 0.00 O ATOM 1023 CB THR A 68 -5.655 9.631 6.179 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.096 10.889 6.702 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.137 9.556 6.239 1.00 0.00 C ATOM 0 H THR A 68 -4.889 7.860 4.247 1.00 0.00 H new ATOM 0 HA THR A 68 -7.239 9.582 4.713 1.00 0.00 H new ATOM 0 HB THR A 68 -6.067 8.822 6.782 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.777 10.737 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.807 9.682 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.806 8.586 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.709 10.346 5.622 1.00 0.00 H new ATOM 1033 N PHE A 69 -5.988 11.754 3.976 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.456 12.862 3.190 1.00 0.00 C ATOM 1035 C PHE A 69 -5.063 14.029 4.091 1.00 0.00 C ATOM 1036 O PHE A 69 -4.539 15.040 3.623 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.488 13.324 2.159 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.115 12.196 1.390 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.408 11.542 0.394 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.411 11.790 1.664 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.982 10.503 -0.314 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.990 10.751 0.959 1.00 0.00 C ATOM 1043 CZ PHE A 69 -8.275 10.108 -0.032 1.00 0.00 C ATOM 0 H PHE A 69 -6.742 12.012 4.613 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.564 12.511 2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.271 13.886 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.009 14.008 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.397 11.848 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.975 12.291 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.420 10.000 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.000 10.443 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.726 9.298 -0.586 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.321 13.881 5.386 1.00 0.00 N ATOM 1054 CA ASP A 70 -4.994 14.922 6.354 1.00 0.00 C ATOM 1055 C ASP A 70 -4.330 14.324 7.591 1.00 0.00 C ATOM 1056 O ASP A 70 -4.963 14.168 8.635 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.255 15.688 6.757 1.00 0.00 C ATOM 1058 CG ASP A 70 -6.836 16.490 5.609 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -6.788 16.003 4.461 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -7.338 17.606 5.860 1.00 0.00 O ATOM 0 H ASP A 70 -5.755 13.051 5.790 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.293 15.613 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.004 14.984 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.021 16.359 7.583 1.00 0.00 H new ATOM 1065 N THR A 71 -3.049 13.990 7.465 1.00 0.00 N ATOM 1066 CA THR A 71 -2.300 13.408 8.571 1.00 0.00 C ATOM 1067 C THR A 71 -3.177 12.476 9.400 1.00 0.00 C ATOM 1068 O THR A 71 -3.288 12.631 10.616 1.00 0.00 O ATOM 1069 CB THR A 71 -1.716 14.498 9.490 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.628 15.598 9.584 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.375 14.987 8.966 1.00 0.00 C ATOM 0 H THR A 71 -2.509 14.113 6.608 1.00 0.00 H new ATOM 0 HA THR A 71 -1.482 12.837 8.132 1.00 0.00 H new ATOM 0 HB THR A 71 -1.565 14.066 10.479 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.507 15.271 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.017 15.756 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.325 14.153 8.923 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.505 15.403 7.967 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.797 11.508 8.734 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.664 10.551 9.411 1.00 0.00 C ATOM 1081 C TRP A 72 -5.696 11.267 10.276 1.00 0.00 C ATOM 1082 O TRP A 72 -5.900 10.913 11.437 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.833 9.597 10.271 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.570 9.144 9.604 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.431 9.875 9.421 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.319 7.856 9.029 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.488 9.120 8.767 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.007 7.877 8.517 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.074 6.687 8.900 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -0.437 6.775 7.885 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -2.507 5.594 8.273 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -1.199 5.644 7.772 1.00 0.00 C ATOM 0 H TRP A 72 -3.715 11.365 7.727 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.192 9.976 8.650 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.583 10.090 11.210 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.437 8.725 10.520 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.292 10.896 9.743 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.448 9.434 8.509 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.082 6.639 9.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.571 6.812 7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.082 4.686 8.167 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.784 4.773 7.287 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.344 12.275 9.703 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.357 13.041 10.420 1.00 0.00 C ATOM 1105 C LYS A 73 -8.760 12.583 10.034 1.00 0.00 C ATOM 1106 O LYS A 73 -9.587 12.291 10.898 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.197 14.534 10.129 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.017 15.171 10.843 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.415 15.710 12.206 1.00 0.00 C ATOM 1110 CE LYS A 73 -7.296 16.944 12.082 1.00 0.00 C ATOM 1111 NZ LYS A 73 -8.742 16.590 12.026 1.00 0.00 N ATOM 0 H LYS A 73 -6.186 12.581 8.743 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.219 12.869 11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.080 14.675 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.110 15.052 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.221 14.435 10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.616 15.981 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.945 14.938 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.520 15.957 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.117 17.605 12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.022 17.497 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.088 16.695 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.871 15.605 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.279 17.222 12.653 1.00 0.00 H new ATOM 1125 N SER A 74 -9.020 12.523 8.732 1.00 0.00 N ATOM 1126 CA SER A 74 -10.324 12.103 8.232 1.00 0.00 C ATOM 1127 C SER A 74 -10.173 11.081 7.110 1.00 0.00 C ATOM 1128 O SER A 74 -10.044 11.441 5.940 1.00 0.00 O ATOM 1129 CB SER A 74 -11.116 13.313 7.732 1.00 0.00 C ATOM 1130 OG SER A 74 -12.510 13.110 7.886 1.00 0.00 O ATOM 0 H SER A 74 -8.345 12.760 8.004 1.00 0.00 H new ATOM 0 HA SER A 74 -10.867 11.636 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.812 14.203 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.886 13.494 6.682 1.00 0.00 H new ATOM 0 HG SER A 74 -12.993 13.898 7.561 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.189 9.804 7.477 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.050 8.728 6.502 1.00 0.00 C ATOM 1138 C TYR A 75 -11.330 7.901 6.418 1.00 0.00 C ATOM 1139 O TYR A 75 -12.276 8.120 7.175 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.871 7.826 6.871 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.110 6.993 8.110 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.764 5.770 8.033 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.683 7.430 9.358 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.985 5.006 9.163 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.899 6.673 10.493 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.550 5.461 10.390 1.00 0.00 C ATOM 1147 OH TYR A 75 -9.768 4.704 11.518 1.00 0.00 O ATOM 0 H TYR A 75 -10.297 9.489 8.441 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.864 9.178 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.656 7.163 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.986 8.444 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.106 5.410 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.173 8.378 9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.496 4.058 9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.560 7.028 11.455 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.399 5.167 12.299 1.00 0.00 H new ATOM 1157 N THR A 76 -11.352 6.949 5.491 1.00 0.00 N ATOM 1158 CA THR A 76 -12.514 6.089 5.306 1.00 0.00 C ATOM 1159 C THR A 76 -12.099 4.630 5.151 1.00 0.00 C ATOM 1160 O THR A 76 -11.055 4.330 4.572 1.00 0.00 O ATOM 1161 CB THR A 76 -13.334 6.511 4.072 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.566 7.924 4.099 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.665 5.775 4.030 1.00 0.00 C ATOM 0 H THR A 76 -10.578 6.754 4.856 1.00 0.00 H new ATOM 0 HA THR A 76 -13.132 6.196 6.198 1.00 0.00 H new ATOM 0 HB THR A 76 -12.765 6.253 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.086 8.185 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.227 6.089 3.150 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.485 4.701 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.238 6.007 4.928 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.924 3.727 5.670 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.643 2.299 5.587 1.00 0.00 C ATOM 1173 C ASP A 77 -13.184 1.713 4.287 1.00 0.00 C ATOM 1174 O ASP A 77 -14.395 1.657 4.075 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.255 1.567 6.783 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.328 1.542 7.983 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -12.255 2.563 8.697 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -11.674 0.501 8.206 1.00 0.00 O ATOM 0 H ASP A 77 -13.792 3.959 6.152 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.561 2.166 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.191 2.051 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.498 0.545 6.494 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.277 1.279 3.418 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.662 0.699 2.136 1.00 0.00 C ATOM 1185 C PHE A 78 -12.525 -0.820 2.163 1.00 0.00 C ATOM 1186 O PHE A 78 -11.465 -1.368 2.468 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.804 1.280 1.011 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.725 2.780 1.031 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.851 3.550 0.783 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.526 3.421 1.296 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.782 4.930 0.800 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.451 4.801 1.316 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.580 5.556 1.067 1.00 0.00 C ATOM 0 H PHE A 78 -11.270 1.318 3.578 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.707 0.948 1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.797 0.870 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.210 0.958 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.793 3.065 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.639 2.836 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.666 5.518 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.510 5.288 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.523 6.634 1.081 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.622 -1.519 1.837 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.650 -2.985 1.816 1.00 0.00 C ATOM 1205 C PRO A 79 -12.822 -3.564 0.674 1.00 0.00 C ATOM 1206 O PRO A 79 -12.799 -3.016 -0.429 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.133 -3.308 1.618 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.695 -2.109 0.937 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.920 -0.933 1.462 1.00 0.00 C ATOM 0 HA PRO A 79 -13.223 -3.414 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.265 -4.205 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.629 -3.490 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.593 -2.191 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.759 -2.002 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.807 -0.157 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.416 -0.475 2.318 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.144 -4.674 0.945 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.314 -5.327 -0.061 1.00 0.00 C ATOM 1219 C CYS A 80 -12.053 -6.499 -0.698 1.00 0.00 C ATOM 1220 O CYS A 80 -12.875 -7.151 -0.054 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.006 -5.814 0.565 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.828 -4.493 0.934 1.00 0.00 S ATOM 0 H CYS A 80 -12.153 -5.140 1.852 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.087 -4.597 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.234 -6.351 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.535 -6.527 -0.111 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.635 -4.996 1.054 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.757 -6.759 -1.968 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.396 -7.851 -2.693 1.00 0.00 C ATOM 1230 C GLN A 81 -11.518 -9.098 -2.683 1.00 0.00 C ATOM 1231 O GLN A 81 -10.440 -9.106 -2.089 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.689 -7.431 -4.134 1.00 0.00 C ATOM 1233 CG GLN A 81 -11.456 -6.978 -4.899 1.00 0.00 C ATOM 1234 CD GLN A 81 -11.746 -6.698 -6.360 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -12.620 -7.323 -6.963 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -11.014 -5.754 -6.939 1.00 0.00 N ATOM 0 H GLN A 81 -11.079 -6.229 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.335 -8.086 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.146 -8.268 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.419 -6.622 -4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.054 -6.078 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.686 -7.746 -4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.300 -5.261 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.165 -5.522 -7.921 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.987 -10.151 -3.343 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.247 -11.405 -3.408 1.00 0.00 C ATOM 1247 C TYR A 82 -10.747 -11.670 -4.825 1.00 0.00 C ATOM 1248 O TYR A 82 -11.518 -11.637 -5.784 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.126 -12.566 -2.940 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.425 -13.905 -2.966 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.572 -14.285 -1.937 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.615 -14.791 -4.019 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -9.928 -15.507 -1.957 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.977 -16.016 -4.047 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.135 -16.370 -3.013 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.496 -17.588 -3.038 1.00 0.00 O ATOM 0 H TYR A 82 -12.877 -10.161 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.384 -11.322 -2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.469 -12.365 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.013 -12.617 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.410 -13.613 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.273 -14.517 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.266 -15.785 -1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.136 -16.693 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.751 -18.075 -3.849 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.450 -11.934 -4.948 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.846 -12.207 -6.247 1.00 0.00 C ATOM 1268 C VAL A 83 -8.834 -13.703 -6.544 1.00 0.00 C ATOM 1269 O VAL A 83 -8.135 -14.472 -5.885 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.404 -11.669 -6.319 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.772 -12.015 -7.659 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.385 -10.166 -6.083 1.00 0.00 C ATOM 0 H VAL A 83 -8.798 -11.965 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.455 -11.696 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.816 -12.145 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.754 -11.627 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.752 -13.098 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.357 -11.568 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.359 -9.802 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.987 -9.670 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.796 -9.947 -5.097 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.204 -16.823 0.289 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.270 -15.921 -0.132 1.00 0.00 C ATOM 1417 C ASP A 93 -4.703 -14.571 -0.559 1.00 0.00 C ATOM 1418 O ASP A 93 -3.762 -14.060 0.048 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.281 -15.729 0.999 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.242 -16.896 1.121 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -8.101 -17.054 0.229 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -7.134 -17.652 2.109 1.00 0.00 O ATOM 0 HA ASP A 93 -5.775 -16.369 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.748 -15.601 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.846 -14.813 0.826 1.00 0.00 H new ATOM 1427 N THR A 94 -5.282 -13.998 -1.610 1.00 0.00 N ATOM 1428 CA THR A 94 -4.834 -12.708 -2.120 1.00 0.00 C ATOM 1429 C THR A 94 -6.011 -11.766 -2.345 1.00 0.00 C ATOM 1430 O THR A 94 -6.810 -11.963 -3.261 1.00 0.00 O ATOM 1431 CB THR A 94 -4.057 -12.866 -3.441 1.00 0.00 C ATOM 1432 OG1 THR A 94 -2.979 -13.792 -3.268 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.511 -11.526 -3.911 1.00 0.00 C ATOM 0 H THR A 94 -6.062 -14.407 -2.124 1.00 0.00 H new ATOM 0 HA THR A 94 -4.172 -12.283 -1.366 1.00 0.00 H new ATOM 0 HB THR A 94 -4.744 -13.246 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.491 -13.888 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.966 -11.663 -4.845 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.337 -10.832 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.838 -11.122 -3.155 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.112 -10.742 -1.505 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.193 -9.769 -1.612 1.00 0.00 C ATOM 1443 C PHE A 95 -6.772 -8.581 -2.473 1.00 0.00 C ATOM 1444 O PHE A 95 -5.591 -8.405 -2.772 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.611 -9.283 -0.223 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.272 -10.344 0.609 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.516 -11.193 1.402 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.649 -10.494 0.598 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.121 -12.170 2.170 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.260 -11.470 1.364 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.495 -12.309 2.150 1.00 0.00 C ATOM 0 H PHE A 95 -5.458 -10.564 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.042 -10.259 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.731 -8.915 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.293 -8.440 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.441 -11.090 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.252 -9.841 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.520 -12.824 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.335 -11.576 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.970 -13.072 2.748 1.00 0.00 H new ATOM 1461 N SER A 96 -7.748 -7.770 -2.869 1.00 0.00 N ATOM 1462 CA SER A 96 -7.480 -6.601 -3.700 1.00 0.00 C ATOM 1463 C SER A 96 -8.253 -5.387 -3.193 1.00 0.00 C ATOM 1464 O SER A 96 -9.238 -5.522 -2.467 1.00 0.00 O ATOM 1465 CB SER A 96 -7.854 -6.887 -5.155 1.00 0.00 C ATOM 1466 OG SER A 96 -7.344 -5.887 -6.019 1.00 0.00 O ATOM 0 H SER A 96 -8.731 -7.900 -2.628 1.00 0.00 H new ATOM 0 HA SER A 96 -6.414 -6.381 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.462 -7.861 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.939 -6.937 -5.252 1.00 0.00 H new ATOM 0 HG SER A 96 -7.595 -6.094 -6.943 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.799 -4.200 -3.583 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.446 -2.961 -3.169 1.00 0.00 C ATOM 1474 C PHE A 97 -8.353 -1.905 -4.267 1.00 0.00 C ATOM 1475 O PHE A 97 -7.301 -1.722 -4.879 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.807 -2.432 -1.883 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.389 -1.970 -2.064 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.116 -0.732 -2.622 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.330 -2.774 -1.675 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.812 -0.305 -2.790 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -4.024 -2.353 -1.840 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.765 -1.116 -2.398 1.00 0.00 C ATOM 0 H PHE A 97 -6.986 -4.071 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.498 -3.175 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.405 -1.603 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.832 -3.216 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.931 -0.093 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.527 -3.741 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.612 0.662 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.207 -2.990 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.746 -0.784 -2.527 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.462 -1.216 -4.511 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.507 -0.178 -5.535 1.00 0.00 C ATOM 1494 C ASP A 98 -10.071 1.121 -4.968 1.00 0.00 C ATOM 1495 O ASP A 98 -11.287 1.299 -4.890 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.353 -0.640 -6.723 1.00 0.00 C ATOM 1497 CG ASP A 98 -10.122 -2.099 -7.065 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -10.672 -2.968 -6.357 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -9.390 -2.371 -8.040 1.00 0.00 O ATOM 0 H ASP A 98 -10.342 -1.357 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.488 0.007 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.408 -0.486 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.120 -0.025 -7.592 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.180 2.024 -4.572 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.590 3.306 -4.012 1.00 0.00 C ATOM 1506 C ILE A 99 -9.521 4.411 -5.061 1.00 0.00 C ATOM 1507 O ILE A 99 -8.679 4.378 -5.957 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.713 3.700 -2.809 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.944 2.736 -1.644 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -9.008 5.131 -2.385 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.809 2.713 -0.644 1.00 0.00 C ATOM 0 H ILE A 99 -8.170 1.892 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.621 3.190 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.666 3.638 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.864 3.014 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.090 1.731 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.381 5.395 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.798 5.807 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.057 5.218 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -8.041 2.008 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.890 2.406 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.676 3.709 -0.221 1.00 0.00 H new ATOM 1523 N SER A 100 -10.412 5.389 -4.940 1.00 0.00 N ATOM 1524 CA SER A 100 -10.455 6.504 -5.879 1.00 0.00 C ATOM 1525 C SER A 100 -9.787 7.741 -5.285 1.00 0.00 C ATOM 1526 O SER A 100 -10.059 8.120 -4.145 1.00 0.00 O ATOM 1527 CB SER A 100 -11.902 6.825 -6.258 1.00 0.00 C ATOM 1528 OG SER A 100 -11.956 7.670 -7.394 1.00 0.00 O ATOM 0 H SER A 100 -11.114 5.432 -4.201 1.00 0.00 H new ATOM 0 HA SER A 100 -9.908 6.212 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.441 5.900 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.403 7.307 -5.418 1.00 0.00 H new ATOM 0 HG SER A 100 -12.891 7.859 -7.617 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.912 8.365 -6.065 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.203 9.559 -5.617 1.00 0.00 C ATOM 1536 C LEU A 101 -9.097 10.791 -5.715 1.00 0.00 C ATOM 1537 O LEU A 101 -10.001 10.869 -6.548 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.937 9.767 -6.449 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.904 8.640 -6.393 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.688 8.988 -7.237 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.495 8.364 -4.953 1.00 0.00 C ATOM 0 H LEU A 101 -8.676 8.064 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.925 9.416 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.230 9.913 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.458 10.689 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.357 7.737 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.964 8.175 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.994 9.136 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.233 9.904 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.760 7.560 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.060 9.265 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.372 8.070 -4.376 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.840 11.780 -4.846 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.609 13.027 -4.816 1.00 0.00 C ATOM 1555 C PRO A 102 -9.344 13.901 -6.037 1.00 0.00 C ATOM 1556 O PRO A 102 -8.293 13.797 -6.669 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.111 13.721 -3.545 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.743 13.174 -3.327 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.779 11.755 -3.825 1.00 0.00 C ATOM 0 HA PRO A 102 -10.683 12.843 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.090 14.804 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.762 13.509 -2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.999 13.758 -3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.472 13.210 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.821 11.453 -4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.009 11.053 -3.023 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.151 15.516 4.986 1.00 0.00 N ATOM 1688 CA ARG A 110 0.420 14.212 4.674 1.00 0.00 C ATOM 1689 C ARG A 110 -0.652 13.261 4.149 1.00 0.00 C ATOM 1690 O ARG A 110 -1.801 13.304 4.586 1.00 0.00 O ATOM 1691 CB ARG A 110 1.086 13.613 5.914 1.00 0.00 C ATOM 1692 CG ARG A 110 2.075 12.503 5.598 1.00 0.00 C ATOM 1693 CD ARG A 110 3.354 13.055 4.986 1.00 0.00 C ATOM 1694 NE ARG A 110 3.267 13.154 3.532 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.323 13.299 2.740 1.00 0.00 C ATOM 1696 NH1 ARG A 110 5.541 13.361 3.260 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.163 13.382 1.426 1.00 0.00 N ATOM 0 HA ARG A 110 1.172 14.349 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.603 14.405 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.314 13.223 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.313 11.956 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.618 11.792 4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.560 14.040 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.192 12.412 5.256 1.00 0.00 H new ATOM 0 HE ARG A 110 2.344 13.109 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.668 13.297 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.351 13.472 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.228 13.334 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.975 13.493 0.819 1.00 0.00 H new ATOM 1711 N MET A 111 -0.266 12.404 3.209 1.00 0.00 N ATOM 1712 CA MET A 111 -1.194 11.442 2.626 1.00 0.00 C ATOM 1713 C MET A 111 -0.603 10.035 2.646 1.00 0.00 C ATOM 1714 O MET A 111 0.380 9.756 1.960 1.00 0.00 O ATOM 1715 CB MET A 111 -1.541 11.841 1.190 1.00 0.00 C ATOM 1716 CG MET A 111 -2.392 10.813 0.462 1.00 0.00 C ATOM 1717 SD MET A 111 -2.925 11.380 -1.164 1.00 0.00 S ATOM 1718 CE MET A 111 -1.356 11.469 -2.023 1.00 0.00 C ATOM 0 H MET A 111 0.682 12.356 2.835 1.00 0.00 H new ATOM 0 HA MET A 111 -2.104 11.444 3.226 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.070 12.794 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.618 11.997 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.824 9.889 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.268 10.579 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.255 12.446 -2.496 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.543 11.324 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.314 10.691 -2.785 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.208 9.155 3.437 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.740 7.778 3.546 1.00 0.00 C ATOM 1730 C GLU A 112 -1.903 6.828 3.816 1.00 0.00 C ATOM 1731 O GLU A 112 -3.054 7.251 3.920 1.00 0.00 O ATOM 1732 CB GLU A 112 0.301 7.657 4.661 1.00 0.00 C ATOM 1733 CG GLU A 112 1.429 8.670 4.553 1.00 0.00 C ATOM 1734 CD GLU A 112 2.447 8.531 5.669 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.051 8.628 6.849 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.639 8.325 5.361 1.00 0.00 O ATOM 0 H GLU A 112 -2.023 9.371 4.012 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.280 7.501 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.195 7.779 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.723 6.652 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.930 8.549 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.011 9.677 4.571 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.593 5.540 3.927 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.611 4.528 4.182 1.00 0.00 C ATOM 1745 C PHE A 113 -2.025 3.349 4.953 1.00 0.00 C ATOM 1746 O PHE A 113 -0.828 3.074 4.871 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.218 4.040 2.865 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.324 3.101 2.105 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.198 1.777 2.494 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.610 3.543 1.003 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.377 0.911 1.797 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.788 2.681 0.302 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.671 1.364 0.700 1.00 0.00 C ATOM 0 H PHE A 113 -0.645 5.173 3.844 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.395 4.982 4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.164 3.540 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.444 4.902 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.748 1.418 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.697 4.572 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.288 -0.119 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.238 3.037 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.028 0.689 0.154 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.877 2.656 5.702 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.445 1.506 6.486 1.00 0.00 C ATOM 1765 C ALA A 114 -3.363 0.310 6.258 1.00 0.00 C ATOM 1766 O ALA A 114 -4.576 0.464 6.116 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.397 1.864 7.964 1.00 0.00 C ATOM 0 H ALA A 114 -3.871 2.872 5.782 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.443 1.229 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.073 0.996 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.695 2.683 8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.389 2.169 8.297 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.776 -0.882 6.225 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.542 -2.105 6.015 1.00 0.00 C ATOM 1775 C VAL A 115 -4.093 -2.641 7.332 1.00 0.00 C ATOM 1776 O VAL A 115 -3.425 -2.585 8.365 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.685 -3.196 5.347 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.501 -4.463 5.138 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.116 -2.694 4.029 1.00 0.00 C ATOM 0 H VAL A 115 -1.773 -1.027 6.341 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.371 -1.850 5.355 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.852 -3.435 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.879 -5.223 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.854 -4.831 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.356 -4.244 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.513 -3.478 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.933 -2.426 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.494 -1.818 4.211 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.314 -3.162 7.287 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.956 -3.707 8.477 1.00 0.00 C ATOM 1791 C TYR A 116 -6.516 -5.100 8.205 1.00 0.00 C ATOM 1792 O TYR A 116 -7.551 -5.249 7.555 1.00 0.00 O ATOM 1793 CB TYR A 116 -7.076 -2.778 8.949 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.219 -3.502 9.625 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.984 -4.401 10.657 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.534 -3.286 9.231 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -9.025 -5.066 11.277 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.581 -3.945 9.846 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.322 -4.834 10.868 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.361 -5.492 11.483 1.00 0.00 O ATOM 0 H TYR A 116 -5.879 -3.218 6.440 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.203 -3.785 9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.661 -2.045 9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.463 -2.225 8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.970 -4.584 10.981 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.741 -2.591 8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.824 -5.763 12.077 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.597 -3.765 9.528 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.209 -5.215 11.078 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.825 -6.117 8.707 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.250 -7.498 8.517 1.00 0.00 C ATOM 1812 C TYR A 117 -6.754 -8.098 9.826 1.00 0.00 C ATOM 1813 O TYR A 117 -5.997 -8.247 10.784 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.096 -8.339 7.969 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.374 -9.825 7.971 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.604 -10.322 7.558 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.407 -10.732 8.385 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.863 -11.679 7.560 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.656 -12.091 8.388 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.886 -12.559 7.975 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.140 -13.912 7.976 1.00 0.00 O ATOM 0 H TYR A 117 -4.967 -6.011 9.249 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.068 -7.503 7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.878 -8.020 6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.202 -8.144 8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.371 -9.636 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.443 -10.369 8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.825 -12.049 7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.892 -12.783 8.712 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.514 -14.174 8.843 1.00 0.00 H new ATOM 1831 N GLU A 118 -8.038 -8.440 9.857 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.644 -9.024 11.048 1.00 0.00 C ATOM 1833 C GLU A 118 -8.878 -10.520 10.862 1.00 0.00 C ATOM 1834 O GLU A 118 -9.530 -10.944 9.907 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.968 -8.326 11.367 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.303 -8.306 12.849 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.769 -9.656 13.360 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -9.905 -10.490 13.703 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.996 -9.878 13.417 1.00 0.00 O ATOM 0 H GLU A 118 -8.678 -8.323 9.072 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.956 -8.882 11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.927 -7.301 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.772 -8.827 10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.424 -7.992 13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.080 -7.564 13.032 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.340 -11.315 11.780 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.488 -12.765 11.718 1.00 0.00 C ATOM 1848 C CYS A 119 -8.133 -13.406 13.056 1.00 0.00 C ATOM 1849 O CYS A 119 -7.295 -12.894 13.797 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.603 -13.341 10.612 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.753 -15.131 10.405 1.00 0.00 S ATOM 0 H CYS A 119 -7.797 -10.980 12.576 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.531 -12.990 11.494 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.855 -12.855 9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.563 -13.097 10.829 1.00 0.00 H new ATOM 0 HG CYS A 119 -8.904 -15.411 9.870 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.778 -14.527 13.359 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.532 -15.237 14.609 1.00 0.00 C ATOM 1859 C ASN A 120 -8.662 -14.296 15.803 1.00 0.00 C ATOM 1860 O ASN A 120 -7.812 -14.284 16.692 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.140 -15.871 14.594 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.135 -17.240 13.941 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.359 -17.383 12.873 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -7.821 -18.158 14.392 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.475 -14.964 12.756 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.281 -16.023 14.705 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.451 -15.215 14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.772 -15.958 15.616 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.403 -18.003 15.215 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.807 -19.073 13.942 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.734 -13.510 15.816 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.957 -12.577 16.906 1.00 0.00 C ATOM 1873 C GLY A 121 -8.753 -11.694 17.168 1.00 0.00 C ATOM 1874 O GLY A 121 -8.419 -11.417 18.319 1.00 0.00 O ATOM 0 H GLY A 121 -10.452 -13.502 15.092 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.819 -11.951 16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.200 -13.132 17.812 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.100 -11.254 16.097 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.925 -10.399 16.218 1.00 0.00 C ATOM 1880 C GLN A 122 -6.973 -9.261 15.205 1.00 0.00 C ATOM 1881 O GLN A 122 -7.812 -9.252 14.304 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.649 -11.220 16.021 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.284 -12.076 17.223 1.00 0.00 C ATOM 1884 CD GLN A 122 -5.217 -11.277 18.510 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.072 -10.652 18.760 1.00 0.00 O flip ATOM 1886 NE2 GLN A 122 -6.183 -11.222 19.271 1.00 0.00 N flip ATOM 0 H GLN A 122 -8.364 -11.475 15.137 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.921 -9.969 17.220 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.772 -11.865 15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.822 -10.544 15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.019 -12.874 17.333 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.320 -12.553 17.045 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.044 -11.718 19.039 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -6.123 -10.680 20.133 1.00 0.00 H new ATOM 1895 N THR A 123 -6.067 -8.300 15.358 1.00 0.00 N ATOM 1896 CA THR A 123 -6.007 -7.155 14.458 1.00 0.00 C ATOM 1897 C THR A 123 -4.564 -6.781 14.139 1.00 0.00 C ATOM 1898 O THR A 123 -3.856 -6.227 14.980 1.00 0.00 O ATOM 1899 CB THR A 123 -6.722 -5.930 15.058 1.00 0.00 C ATOM 1900 OG1 THR A 123 -8.061 -6.277 15.427 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.747 -4.778 14.065 1.00 0.00 C ATOM 0 H THR A 123 -5.364 -8.292 16.097 1.00 0.00 H new ATOM 0 HA THR A 123 -6.515 -7.449 13.539 1.00 0.00 H new ATOM 0 HB THR A 123 -6.172 -5.613 15.944 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.509 -5.493 15.809 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.257 -3.924 14.511 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.726 -4.497 13.808 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.276 -5.086 13.163 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.134 -7.087 12.920 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.774 -6.784 12.490 1.00 0.00 C ATOM 1911 C TYR A 124 -2.735 -5.498 11.671 1.00 0.00 C ATOM 1912 O TYR A 124 -3.488 -5.338 10.710 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.206 -7.943 11.669 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.483 -9.303 12.269 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.947 -9.664 13.499 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.281 -10.227 11.606 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -2.197 -10.906 14.051 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.538 -11.471 12.150 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.993 -11.805 13.373 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.246 -13.043 13.919 1.00 0.00 O ATOM 0 H TYR A 124 -4.708 -7.545 12.212 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.161 -6.644 13.381 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.627 -7.906 10.664 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.129 -7.812 11.568 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.324 -8.962 14.033 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.708 -9.968 10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.772 -11.171 15.008 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.161 -12.177 11.622 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.447 -13.605 13.839 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.851 -4.585 12.057 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.713 -3.312 11.358 1.00 0.00 C ATOM 1932 C TRP A 125 -0.390 -3.248 10.602 1.00 0.00 C ATOM 1933 O TRP A 125 0.680 -3.193 11.208 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.805 -2.150 12.349 1.00 0.00 C ATOM 1935 CG TRP A 125 -3.203 -1.876 12.814 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.745 -2.209 14.023 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.238 -1.215 12.077 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -5.053 -1.794 14.082 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.380 -1.181 12.901 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.310 -0.647 10.803 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.577 -0.602 12.490 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.499 -0.073 10.395 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.619 -0.053 11.237 1.00 0.00 C ATOM 0 H TRP A 125 -1.219 -4.702 12.849 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.527 -3.231 10.637 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -1.178 -2.369 13.214 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.402 -1.251 11.882 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -3.222 -2.723 14.816 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.680 -1.922 14.877 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.451 -0.656 10.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.442 -0.586 13.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.566 0.367 9.411 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.534 0.405 10.890 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.471 -3.255 9.276 1.00 0.00 N ATOM 1955 CA ASP A 126 0.721 -3.196 8.438 1.00 0.00 C ATOM 1956 C ASP A 126 0.842 -1.834 7.761 1.00 0.00 C ATOM 1957 O ASP A 126 0.196 -1.575 6.745 1.00 0.00 O ATOM 1958 CB ASP A 126 0.683 -4.303 7.382 1.00 0.00 C ATOM 1959 CG ASP A 126 1.724 -4.104 6.298 1.00 0.00 C ATOM 1960 OD1 ASP A 126 1.413 -3.433 5.291 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.850 -4.619 6.456 1.00 0.00 O ATOM 0 H ASP A 126 -1.349 -3.301 8.759 1.00 0.00 H new ATOM 0 HA ASP A 126 1.592 -3.343 9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.844 -5.267 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.308 -4.335 6.929 1.00 0.00 H new ATOM 1966 N SER A 127 1.673 -0.967 8.331 1.00 0.00 N ATOM 1967 CA SER A 127 1.875 0.370 7.785 1.00 0.00 C ATOM 1968 C SER A 127 3.225 0.471 7.082 1.00 0.00 C ATOM 1969 O SER A 127 4.251 0.712 7.716 1.00 0.00 O ATOM 1970 CB SER A 127 1.787 1.416 8.898 1.00 0.00 C ATOM 1971 OG SER A 127 2.854 1.270 9.820 1.00 0.00 O ATOM 0 H SER A 127 2.217 -1.166 9.170 1.00 0.00 H new ATOM 0 HA SER A 127 1.089 0.560 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.811 2.416 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.835 1.317 9.420 1.00 0.00 H new ATOM 0 HG SER A 127 3.705 1.247 9.335 1.00 0.00 H new ATOM 1977 N ASN A 128 3.215 0.284 5.766 1.00 0.00 N ATOM 1978 CA ASN A 128 4.438 0.354 4.974 1.00 0.00 C ATOM 1979 C ASN A 128 5.559 -0.444 5.634 1.00 0.00 C ATOM 1980 O ASN A 128 6.712 -0.012 5.655 1.00 0.00 O ATOM 1981 CB ASN A 128 4.871 1.810 4.794 1.00 0.00 C ATOM 1982 CG ASN A 128 6.209 1.932 4.091 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.588 1.070 3.298 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.933 3.007 4.380 1.00 0.00 N ATOM 0 H ASN A 128 2.374 0.083 5.226 1.00 0.00 H new ATOM 0 HA ASN A 128 4.234 -0.081 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 128 4.113 2.344 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.931 2.292 5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.842 3.143 3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.580 3.696 5.044 1.00 0.00 H new ATOM 1991 N ARG A 129 5.212 -1.609 6.171 1.00 0.00 N ATOM 1992 CA ARG A 129 6.188 -2.466 6.832 1.00 0.00 C ATOM 1993 C ARG A 129 7.268 -1.633 7.516 1.00 0.00 C ATOM 1994 O ARG A 129 8.454 -1.952 7.439 1.00 0.00 O ATOM 1995 CB ARG A 129 6.828 -3.420 5.822 1.00 0.00 C ATOM 1996 CG ARG A 129 6.878 -2.865 4.408 1.00 0.00 C ATOM 1997 CD ARG A 129 8.105 -1.991 4.196 1.00 0.00 C ATOM 1998 NE ARG A 129 9.287 -2.780 3.860 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.340 -2.289 3.216 1.00 0.00 C ATOM 2000 NH1 ARG A 129 10.358 -1.017 2.841 1.00 0.00 N ATOM 2001 NH2 ARG A 129 11.378 -3.070 2.946 1.00 0.00 N ATOM 0 H ARG A 129 4.262 -1.981 6.161 1.00 0.00 H new ATOM 0 HA ARG A 129 5.667 -3.049 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.842 -3.654 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.271 -4.357 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.888 -3.688 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 129 5.977 -2.283 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.907 -1.276 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 129 8.299 -1.414 5.100 1.00 0.00 H new ATOM 0 HE ARG A 129 9.305 -3.762 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.562 -0.413 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 129 11.168 -0.642 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.368 -4.049 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.186 -2.692 2.451 1.00 0.00 H new ATOM 2015 N GLY A 130 6.849 -0.564 8.185 1.00 0.00 N ATOM 2016 CA GLY A 130 7.793 0.299 8.873 1.00 0.00 C ATOM 2017 C GLY A 130 7.136 1.543 9.437 1.00 0.00 C ATOM 2018 O GLY A 130 6.739 1.571 10.601 1.00 0.00 O ATOM 0 H GLY A 130 5.873 -0.279 8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.266 -0.257 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.584 0.591 8.182 1.00 0.00 H new ATOM 2022 N LYS A 131 7.024 2.577 8.610 1.00 0.00 N ATOM 2023 CA LYS A 131 6.412 3.832 9.032 1.00 0.00 C ATOM 2024 C LYS A 131 5.052 4.024 8.367 1.00 0.00 C ATOM 2025 O LYS A 131 4.014 3.949 9.024 1.00 0.00 O ATOM 2026 CB LYS A 131 7.328 5.009 8.692 1.00 0.00 C ATOM 2027 CG LYS A 131 8.631 5.010 9.472 1.00 0.00 C ATOM 2028 CD LYS A 131 8.471 5.682 10.826 1.00 0.00 C ATOM 2029 CE LYS A 131 9.797 6.217 11.344 1.00 0.00 C ATOM 2030 NZ LYS A 131 9.608 7.376 12.259 1.00 0.00 N ATOM 0 H LYS A 131 7.349 2.571 7.643 1.00 0.00 H new ATOM 0 HA LYS A 131 6.267 3.792 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.553 4.988 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.797 5.940 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.973 3.985 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.400 5.527 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.755 6.499 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.061 4.969 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.329 5.423 11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.421 6.517 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.535 7.712 12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.123 8.143 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.034 7.084 13.075 1.00 0.00 H new ATOM 2044 N ASN A 132 5.066 4.271 7.062 1.00 0.00 N ATOM 2045 CA ASN A 132 3.834 4.473 6.309 1.00 0.00 C ATOM 2046 C ASN A 132 4.125 4.629 4.819 1.00 0.00 C ATOM 2047 O ASN A 132 5.230 5.006 4.428 1.00 0.00 O ATOM 2048 CB ASN A 132 3.092 5.707 6.826 1.00 0.00 C ATOM 2049 CG ASN A 132 4.033 6.754 7.389 1.00 0.00 C ATOM 2050 OD1 ASN A 132 5.159 6.911 6.916 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.576 7.476 8.406 1.00 0.00 N ATOM 0 H ASN A 132 5.917 4.336 6.504 1.00 0.00 H new ATOM 0 HA ASN A 132 3.205 3.594 6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.510 6.144 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.385 5.405 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 132 4.165 8.195 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.636 7.312 8.766 1.00 0.00 H new ATOM 2058 N TYR A 133 3.127 4.337 3.993 1.00 0.00 N ATOM 2059 CA TYR A 133 3.276 4.443 2.546 1.00 0.00 C ATOM 2060 C TYR A 133 3.122 5.890 2.087 1.00 0.00 C ATOM 2061 O TYR A 133 2.012 6.356 1.831 1.00 0.00 O ATOM 2062 CB TYR A 133 2.247 3.559 1.840 1.00 0.00 C ATOM 2063 CG TYR A 133 2.598 2.089 1.856 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.693 1.609 1.148 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.835 1.180 2.579 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.018 0.266 1.159 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.154 -0.164 2.597 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.245 -0.617 1.885 1.00 0.00 C ATOM 2069 OH TYR A 133 3.565 -1.955 1.900 1.00 0.00 O ATOM 0 H TYR A 133 2.206 4.025 4.300 1.00 0.00 H new ATOM 0 HA TYR A 133 4.278 4.103 2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.276 3.697 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.146 3.888 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.301 2.297 0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.978 1.530 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.872 -0.091 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.552 -0.857 3.166 1.00 0.00 H new ATOM 0 HH TYR A 133 2.922 -2.439 2.459 1.00 0.00 H new ATOM 2079 N ARG A 134 4.244 6.594 1.985 1.00 0.00 N ATOM 2080 CA ARG A 134 4.235 7.988 1.557 1.00 0.00 C ATOM 2081 C ARG A 134 3.964 8.095 0.059 1.00 0.00 C ATOM 2082 O ARG A 134 4.698 7.534 -0.756 1.00 0.00 O ATOM 2083 CB ARG A 134 5.569 8.656 1.894 1.00 0.00 C ATOM 2084 CG ARG A 134 6.780 7.801 1.557 1.00 0.00 C ATOM 2085 CD ARG A 134 8.004 8.657 1.272 1.00 0.00 C ATOM 2086 NE ARG A 134 8.449 9.388 2.455 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.703 9.786 2.645 1.00 0.00 C ATOM 2088 NH1 ARG A 134 10.629 9.526 1.733 1.00 0.00 N ATOM 2089 NH2 ARG A 134 10.030 10.447 3.748 1.00 0.00 N ATOM 0 H ARG A 134 5.171 6.222 2.193 1.00 0.00 H new ATOM 0 HA ARG A 134 3.435 8.501 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.640 9.600 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.588 8.895 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.992 7.126 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 134 6.558 7.180 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 134 8.814 8.023 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.774 9.364 0.475 1.00 0.00 H new ATOM 0 HE ARG A 134 7.760 9.605 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 134 10.380 9.020 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 134 11.591 9.832 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 134 9.319 10.650 4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.992 10.752 3.893 1.00 0.00 H new ATOM 2103 N ILE A 135 2.907 8.818 -0.295 1.00 0.00 N ATOM 2104 CA ILE A 135 2.540 8.999 -1.695 1.00 0.00 C ATOM 2105 C ILE A 135 2.872 10.408 -2.172 1.00 0.00 C ATOM 2106 O ILE A 135 2.245 11.381 -1.750 1.00 0.00 O ATOM 2107 CB ILE A 135 1.041 8.730 -1.923 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.674 7.324 -1.446 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.689 8.906 -3.392 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.817 7.072 -1.397 1.00 0.00 C ATOM 0 H ILE A 135 2.290 9.288 0.367 1.00 0.00 H new ATOM 0 HA ILE A 135 3.121 8.278 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 135 0.465 9.451 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.136 6.592 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.094 7.165 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.374 8.712 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.918 9.926 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.271 8.206 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.003 6.056 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.283 7.780 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.240 7.198 -2.393 1.00 0.00 H new ATOM 2122 N ILE A 136 3.859 10.511 -3.055 1.00 0.00 N ATOM 2123 CA ILE A 136 4.271 11.802 -3.592 1.00 0.00 C ATOM 2124 C ILE A 136 3.838 11.956 -5.046 1.00 0.00 C ATOM 2125 O ILE A 136 3.396 10.996 -5.678 1.00 0.00 O ATOM 2126 CB ILE A 136 5.797 11.989 -3.500 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.513 10.947 -4.362 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.256 11.892 -2.053 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.961 11.286 -4.642 1.00 0.00 C ATOM 0 H ILE A 136 4.388 9.716 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 136 3.782 12.566 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 136 6.050 12.980 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.465 9.979 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.983 10.844 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.337 12.026 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.767 12.668 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.994 10.913 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.405 10.504 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 136 8.016 12.238 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.506 11.360 -3.701 1.00 0.00 H new ATOM 2141 N ARG A 137 3.971 13.169 -5.572 1.00 0.00 N ATOM 2142 CA ARG A 137 3.595 13.449 -6.953 1.00 0.00 C ATOM 2143 C ARG A 137 4.675 12.973 -7.919 1.00 0.00 C ATOM 2144 O ARG A 137 5.804 12.696 -7.514 1.00 0.00 O ATOM 2145 CB ARG A 137 3.349 14.947 -7.143 1.00 0.00 C ATOM 2146 CG ARG A 137 2.331 15.265 -8.226 1.00 0.00 C ATOM 2147 CD ARG A 137 1.621 16.582 -7.953 1.00 0.00 C ATOM 2148 NE ARG A 137 0.802 17.006 -9.085 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.160 17.918 -8.995 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.420 18.499 -7.832 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -0.862 18.252 -10.071 1.00 0.00 N ATOM 0 H ARG A 137 4.336 13.974 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 137 2.675 12.906 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.008 15.373 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.293 15.433 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.830 15.313 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.598 14.461 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.992 16.478 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 137 2.359 17.353 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 137 0.978 16.579 -9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.119 18.246 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.159 19.199 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.663 17.808 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.600 18.952 -10.001 1.00 0.00 H new ATOM 2165 N ALA A 138 4.321 12.879 -9.196 1.00 0.00 N ATOM 2166 CA ALA A 138 5.261 12.438 -10.219 1.00 0.00 C ATOM 2167 C ALA A 138 6.226 13.557 -10.597 1.00 0.00 C ATOM 2168 O ALA A 138 7.345 13.299 -11.039 1.00 0.00 O ATOM 2169 CB ALA A 138 4.510 11.947 -11.449 1.00 0.00 C ATOM 0 H ALA A 138 3.390 13.102 -9.547 1.00 0.00 H new ATOM 0 HA ALA A 138 5.845 11.613 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.224 11.621 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.867 11.112 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.901 12.757 -11.851 1.00 0.00 H new ATOM 2175 N GLU A 139 5.784 14.798 -10.421 1.00 0.00 N ATOM 2176 CA GLU A 139 6.609 15.955 -10.746 1.00 0.00 C ATOM 2177 C GLU A 139 7.804 16.054 -9.802 1.00 0.00 C ATOM 2178 O GLU A 139 8.830 16.646 -10.140 1.00 0.00 O ATOM 2179 CB GLU A 139 5.779 17.239 -10.672 1.00 0.00 C ATOM 2180 CG GLU A 139 5.153 17.480 -9.309 1.00 0.00 C ATOM 2181 CD GLU A 139 4.716 18.919 -9.115 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.019 19.452 -10.004 1.00 0.00 O ATOM 2183 OE2 GLU A 139 5.070 19.513 -8.075 1.00 0.00 O ATOM 0 H GLU A 139 4.860 15.028 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 139 6.981 15.829 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.414 18.088 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.990 17.195 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.292 16.823 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.869 17.214 -8.532 1.00 0.00 H new