USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 962 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 130:sc= -0.696 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.39) USER MOD Set 2.2: A 36 GLN :FLIP amide:sc= -0.304 F(o=-1.1,f=-0.3) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -0.39 USER MOD Set 3.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -14.5! C(o=-16!,f=-15!) USER MOD Single : A 21 TYR OH : rot -155:sc= -2.23! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.1!) USER MOD Single : A 26 SER OG : rot 65:sc= 1.03 USER MOD Single : A 27 THR OG1 : rot 62:sc= 0.384 USER MOD Single : A 29 THR OG1 : rot 94:sc= 0.389 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 130:sc= -1.38 USER MOD Single : A 47 SER OG : rot -166:sc= -3.86! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00638) USER MOD Single : A 65 THR OG1 : rot 126:sc= 1.38 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.1!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 75 HIS :FLIP no HD1:sc=-0.00601 F(o=-0.59,f=-0.006) USER MOD Single : A 77 ASN : amide:sc=-0.00785 X(o=-0.0078,f=-0.42) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.059) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.9!) USER MOD Single : A 115 SER OG : rot 12:sc= 0.955 USER MOD Single : A 119 ASN : amide:sc= -0.349 K(o=-0.35,f=-1.2) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc=-0.00896 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 MET CE :methyl -134:sc= -3.44 (180deg=-5.33!) USER MOD Single : A 127 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.7!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -160:sc= -0.0942 (180deg=-0.488) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.500 9.551 2.129 1.00 0.00 N ATOM 131 CA LEU A 12 16.073 9.592 1.831 1.00 0.00 C ATOM 132 C LEU A 12 15.253 9.122 3.029 1.00 0.00 C ATOM 133 O LEU A 12 14.152 9.615 3.271 1.00 0.00 O ATOM 134 CB LEU A 12 15.761 8.721 0.612 1.00 0.00 C ATOM 135 CG LEU A 12 16.544 9.044 -0.661 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.349 7.949 -1.699 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.119 10.393 -1.221 1.00 0.00 C ATOM 0 HA LEU A 12 15.802 10.625 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.949 7.680 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.697 8.807 0.392 1.00 0.00 H new ATOM 0 HG LEU A 12 17.603 9.095 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.913 8.196 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.703 7.000 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.291 7.866 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.687 10.606 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.055 10.370 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.310 11.171 -0.481 1.00 0.00 H new ATOM 149 N GLY A 13 15.800 8.168 3.776 1.00 0.00 N ATOM 150 CA GLY A 13 15.106 7.650 4.941 1.00 0.00 C ATOM 151 C GLY A 13 14.627 6.225 4.744 1.00 0.00 C ATOM 152 O GLY A 13 14.999 5.567 3.773 1.00 0.00 O ATOM 0 H GLY A 13 16.710 7.745 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.771 7.691 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.252 8.289 5.166 1.00 0.00 H new ATOM 156 N ARG A 14 13.801 5.748 5.669 1.00 0.00 N ATOM 157 CA ARG A 14 13.273 4.391 5.594 1.00 0.00 C ATOM 158 C ARG A 14 11.769 4.377 5.856 1.00 0.00 C ATOM 159 O ARG A 14 11.212 5.342 6.380 1.00 0.00 O ATOM 160 CB ARG A 14 13.985 3.487 6.602 1.00 0.00 C ATOM 161 CG ARG A 14 13.863 3.965 8.040 1.00 0.00 C ATOM 162 CD ARG A 14 15.081 3.572 8.862 1.00 0.00 C ATOM 163 NE ARG A 14 15.185 2.125 9.030 1.00 0.00 N ATOM 164 CZ ARG A 14 16.029 1.541 9.873 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.838 2.277 10.622 1.00 0.00 N ATOM 166 NH2 ARG A 14 16.065 0.218 9.969 1.00 0.00 N ATOM 0 H ARG A 14 13.483 6.281 6.479 1.00 0.00 H new ATOM 0 HA ARG A 14 13.453 4.014 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.575 2.480 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.040 3.423 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.746 5.049 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.966 3.541 8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.982 3.946 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.026 4.047 9.841 1.00 0.00 H new ATOM 0 HE ARG A 14 14.576 1.530 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.813 3.294 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.485 1.826 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.444 -0.352 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.714 -0.229 10.617 1.00 0.00 H new ATOM 180 N ILE A 15 11.120 3.278 5.487 1.00 0.00 N ATOM 181 CA ILE A 15 9.682 3.140 5.683 1.00 0.00 C ATOM 182 C ILE A 15 9.335 1.771 6.259 1.00 0.00 C ATOM 183 O ILE A 15 9.788 0.743 5.756 1.00 0.00 O ATOM 184 CB ILE A 15 8.913 3.339 4.363 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.406 3.225 4.604 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.367 2.322 3.327 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.571 3.631 3.410 1.00 0.00 C ATOM 0 H ILE A 15 11.566 2.471 5.051 1.00 0.00 H new ATOM 0 HA ILE A 15 9.383 3.915 6.389 1.00 0.00 H new ATOM 0 HB ILE A 15 9.127 4.337 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.166 2.196 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.134 3.848 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.815 2.475 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.433 2.446 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.179 1.315 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.514 3.525 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.782 4.669 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.814 2.992 2.561 1.00 0.00 H new ATOM 199 N GLN A 16 8.528 1.767 7.315 1.00 0.00 N ATOM 200 CA GLN A 16 8.119 0.524 7.958 1.00 0.00 C ATOM 201 C GLN A 16 6.674 0.181 7.611 1.00 0.00 C ATOM 202 O GLN A 16 5.797 1.043 7.640 1.00 0.00 O ATOM 203 CB GLN A 16 8.280 0.634 9.475 1.00 0.00 C ATOM 204 CG GLN A 16 8.080 -0.684 10.206 1.00 0.00 C ATOM 205 CD GLN A 16 7.849 -0.499 11.692 1.00 0.00 C ATOM 206 OE1 GLN A 16 8.119 -1.542 12.468 1.00 0.00 O flip ATOM 207 NE2 GLN A 16 7.433 0.570 12.139 1.00 0.00 N flip ATOM 0 H GLN A 16 8.145 2.610 7.743 1.00 0.00 H new ATOM 0 HA GLN A 16 8.761 -0.276 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.276 1.017 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.565 1.363 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.229 -1.210 9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.955 -1.315 10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.238 1.346 11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.283 0.680 13.142 1.00 0.00 H new ATOM 216 N PHE A 17 6.434 -1.085 7.284 1.00 0.00 N ATOM 217 CA PHE A 17 5.096 -1.542 6.930 1.00 0.00 C ATOM 218 C PHE A 17 4.911 -3.014 7.288 1.00 0.00 C ATOM 219 O PHE A 17 5.862 -3.795 7.260 1.00 0.00 O ATOM 220 CB PHE A 17 4.841 -1.334 5.436 1.00 0.00 C ATOM 221 CG PHE A 17 5.764 -2.126 4.554 1.00 0.00 C ATOM 222 CD1 PHE A 17 5.465 -3.436 4.216 1.00 0.00 C ATOM 223 CD2 PHE A 17 6.929 -1.561 4.063 1.00 0.00 C ATOM 224 CE1 PHE A 17 6.312 -4.168 3.406 1.00 0.00 C ATOM 225 CE2 PHE A 17 7.780 -2.287 3.251 1.00 0.00 C ATOM 226 CZ PHE A 17 7.471 -3.592 2.922 1.00 0.00 C ATOM 0 H PHE A 17 7.149 -1.812 7.257 1.00 0.00 H new ATOM 0 HA PHE A 17 4.377 -0.954 7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.811 -1.609 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.947 -0.275 5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.559 -3.890 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.176 -0.541 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.068 -5.189 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.685 -1.834 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.134 -4.161 2.288 1.00 0.00 H new ATOM 236 N SER A 18 3.680 -3.384 7.626 1.00 0.00 N ATOM 237 CA SER A 18 3.371 -4.761 7.995 1.00 0.00 C ATOM 238 C SER A 18 2.460 -5.410 6.957 1.00 0.00 C ATOM 239 O SER A 18 1.432 -4.848 6.578 1.00 0.00 O ATOM 240 CB SER A 18 2.706 -4.805 9.372 1.00 0.00 C ATOM 241 OG SER A 18 2.926 -6.054 10.005 1.00 0.00 O ATOM 0 H SER A 18 2.881 -2.750 7.652 1.00 0.00 H new ATOM 0 HA SER A 18 4.306 -5.320 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.101 -4.003 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.635 -4.630 9.268 1.00 0.00 H new ATOM 0 HG SER A 18 2.493 -6.056 10.884 1.00 0.00 H new ATOM 247 N VAL A 19 2.846 -6.597 6.500 1.00 0.00 N ATOM 248 CA VAL A 19 2.065 -7.324 5.506 1.00 0.00 C ATOM 249 C VAL A 19 1.618 -8.679 6.043 1.00 0.00 C ATOM 250 O VAL A 19 2.405 -9.413 6.638 1.00 0.00 O ATOM 251 CB VAL A 19 2.867 -7.537 4.208 1.00 0.00 C ATOM 252 CG1 VAL A 19 4.215 -8.172 4.512 1.00 0.00 C ATOM 253 CG2 VAL A 19 2.076 -8.390 3.228 1.00 0.00 C ATOM 0 H VAL A 19 3.695 -7.076 6.802 1.00 0.00 H new ATOM 0 HA VAL A 19 1.187 -6.716 5.286 1.00 0.00 H new ATOM 0 HB VAL A 19 3.045 -6.565 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.768 -8.315 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.783 -7.520 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.062 -9.137 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.657 -8.531 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.866 -9.360 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.137 -7.891 2.986 1.00 0.00 H new ATOM 263 N GLY A 20 0.347 -9.005 5.828 1.00 0.00 N ATOM 264 CA GLY A 20 -0.184 -10.272 6.296 1.00 0.00 C ATOM 265 C GLY A 20 -1.490 -10.639 5.619 1.00 0.00 C ATOM 266 O GLY A 20 -2.525 -10.023 5.876 1.00 0.00 O ATOM 0 H GLY A 20 -0.325 -8.414 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.549 -11.058 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.339 -10.222 7.374 1.00 0.00 H new ATOM 270 N TYR A 21 -1.442 -11.644 4.751 1.00 0.00 N ATOM 271 CA TYR A 21 -2.630 -12.089 4.032 1.00 0.00 C ATOM 272 C TYR A 21 -3.330 -13.217 4.783 1.00 0.00 C ATOM 273 O TYR A 21 -2.687 -14.139 5.282 1.00 0.00 O ATOM 274 CB TYR A 21 -2.254 -12.555 2.624 1.00 0.00 C ATOM 275 CG TYR A 21 -3.442 -12.976 1.789 1.00 0.00 C ATOM 276 CD1 TYR A 21 -4.021 -14.229 1.949 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.986 -12.120 0.839 1.00 0.00 C ATOM 278 CE1 TYR A 21 -5.105 -14.618 1.188 1.00 0.00 C ATOM 279 CE2 TYR A 21 -5.072 -12.500 0.074 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.628 -13.750 0.252 1.00 0.00 C ATOM 281 OH TYR A 21 -6.709 -14.133 -0.508 1.00 0.00 O ATOM 0 H TYR A 21 -0.594 -12.165 4.529 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.317 -11.246 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.728 -11.749 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.559 -13.391 2.700 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.616 -14.911 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.553 -11.141 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.541 -15.596 1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.483 -11.822 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.714 -13.628 -1.348 1.00 0.00 H new ATOM 291 N ASN A 22 -4.655 -13.135 4.860 1.00 0.00 N ATOM 292 CA ASN A 22 -5.445 -14.148 5.550 1.00 0.00 C ATOM 293 C ASN A 22 -6.037 -15.145 4.558 1.00 0.00 C ATOM 294 O ASN A 22 -6.758 -14.765 3.635 1.00 0.00 O ATOM 295 CB ASN A 22 -6.564 -13.489 6.358 1.00 0.00 C ATOM 296 CG ASN A 22 -6.111 -13.078 7.745 1.00 0.00 C ATOM 297 OD1 ASN A 22 -5.439 -12.061 7.915 1.00 0.00 O ATOM 298 ND2 ASN A 22 -6.479 -13.870 8.746 1.00 0.00 N ATOM 0 H ASN A 22 -5.204 -12.377 4.453 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.785 -14.687 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.927 -12.612 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.403 -14.180 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.204 -13.645 9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.036 -14.703 8.558 1.00 0.00 H new ATOM 305 N PHE A 23 -5.728 -16.422 4.756 1.00 0.00 N ATOM 306 CA PHE A 23 -6.229 -17.474 3.879 1.00 0.00 C ATOM 307 C PHE A 23 -7.751 -17.557 3.943 1.00 0.00 C ATOM 308 O PHE A 23 -8.437 -17.336 2.945 1.00 0.00 O ATOM 309 CB PHE A 23 -5.617 -18.823 4.264 1.00 0.00 C ATOM 310 CG PHE A 23 -4.193 -18.985 3.815 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.270 -17.971 4.014 1.00 0.00 C ATOM 312 CD2 PHE A 23 -3.778 -20.152 3.194 1.00 0.00 C ATOM 313 CE1 PHE A 23 -1.959 -18.118 3.603 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.468 -20.304 2.781 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.557 -19.285 2.984 1.00 0.00 C ATOM 0 H PHE A 23 -5.133 -16.753 5.516 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.939 -17.229 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.663 -18.938 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.219 -19.623 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.579 -17.055 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.486 -20.951 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.249 -17.321 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.156 -21.219 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.533 -19.401 2.659 1.00 0.00 H new ATOM 325 N GLN A 24 -8.271 -17.876 5.124 1.00 0.00 N ATOM 326 CA GLN A 24 -9.712 -17.989 5.318 1.00 0.00 C ATOM 327 C GLN A 24 -10.441 -16.809 4.683 1.00 0.00 C ATOM 328 O GLN A 24 -11.303 -16.991 3.823 1.00 0.00 O ATOM 329 CB GLN A 24 -10.042 -18.064 6.810 1.00 0.00 C ATOM 330 CG GLN A 24 -9.698 -19.403 7.443 1.00 0.00 C ATOM 331 CD GLN A 24 -10.573 -19.725 8.638 1.00 0.00 C ATOM 332 OE1 GLN A 24 -11.491 -18.975 8.970 1.00 0.00 O ATOM 333 NE2 GLN A 24 -10.292 -20.847 9.292 1.00 0.00 N ATOM 0 H GLN A 24 -7.717 -18.061 5.960 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.048 -18.905 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.502 -17.275 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.105 -17.868 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.804 -20.191 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.653 -19.396 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.522 -21.439 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.847 -21.116 10.104 1.00 0.00 H new ATOM 342 N GLU A 25 -10.089 -15.601 5.112 1.00 0.00 N ATOM 343 CA GLU A 25 -10.712 -14.393 4.585 1.00 0.00 C ATOM 344 C GLU A 25 -10.237 -14.113 3.162 1.00 0.00 C ATOM 345 O GLU A 25 -10.856 -13.339 2.430 1.00 0.00 O ATOM 346 CB GLU A 25 -10.396 -13.196 5.484 1.00 0.00 C ATOM 347 CG GLU A 25 -10.510 -13.503 6.968 1.00 0.00 C ATOM 348 CD GLU A 25 -10.271 -12.283 7.836 1.00 0.00 C ATOM 349 OE1 GLU A 25 -9.234 -11.614 7.645 1.00 0.00 O ATOM 350 OE2 GLU A 25 -11.120 -11.997 8.706 1.00 0.00 O ATOM 0 H GLU A 25 -9.376 -15.433 5.822 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.791 -14.550 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.385 -12.848 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.073 -12.378 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.502 -13.904 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.790 -14.278 7.231 1.00 0.00 H new ATOM 357 N SER A 26 -9.134 -14.747 2.776 1.00 0.00 N ATOM 358 CA SER A 26 -8.573 -14.563 1.443 1.00 0.00 C ATOM 359 C SER A 26 -8.453 -13.080 1.104 1.00 0.00 C ATOM 360 O SER A 26 -8.939 -12.627 0.067 1.00 0.00 O ATOM 361 CB SER A 26 -9.442 -15.268 0.400 1.00 0.00 C ATOM 362 OG SER A 26 -10.554 -14.468 0.037 1.00 0.00 O ATOM 0 H SER A 26 -8.611 -15.393 3.368 1.00 0.00 H new ATOM 0 HA SER A 26 -7.575 -15.002 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.845 -15.490 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.790 -16.222 0.797 1.00 0.00 H new ATOM 0 HG SER A 26 -10.239 -13.652 -0.405 1.00 0.00 H new ATOM 368 N THR A 27 -7.802 -12.328 1.986 1.00 0.00 N ATOM 369 CA THR A 27 -7.619 -10.897 1.782 1.00 0.00 C ATOM 370 C THR A 27 -6.205 -10.465 2.156 1.00 0.00 C ATOM 371 O THR A 27 -5.585 -11.042 3.051 1.00 0.00 O ATOM 372 CB THR A 27 -8.629 -10.078 2.608 1.00 0.00 C ATOM 373 OG1 THR A 27 -9.963 -10.512 2.321 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.498 -8.593 2.305 1.00 0.00 C ATOM 0 H THR A 27 -7.393 -12.687 2.849 1.00 0.00 H new ATOM 0 HA THR A 27 -7.787 -10.705 0.722 1.00 0.00 H new ATOM 0 HB THR A 27 -8.415 -10.238 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.062 -11.454 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.221 -8.035 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.490 -8.259 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.689 -8.420 1.246 1.00 0.00 H new ATOM 382 N LEU A 28 -5.701 -9.448 1.467 1.00 0.00 N ATOM 383 CA LEU A 28 -4.359 -8.937 1.728 1.00 0.00 C ATOM 384 C LEU A 28 -4.406 -7.738 2.670 1.00 0.00 C ATOM 385 O LEU A 28 -5.222 -6.831 2.498 1.00 0.00 O ATOM 386 CB LEU A 28 -3.678 -8.544 0.416 1.00 0.00 C ATOM 387 CG LEU A 28 -2.215 -8.114 0.522 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.350 -9.276 0.985 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.719 -7.576 -0.812 1.00 0.00 C ATOM 0 H LEU A 28 -6.201 -8.960 0.723 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.782 -9.728 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.739 -9.390 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.244 -7.728 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.143 -7.317 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.312 -8.952 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.690 -9.616 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.427 -10.095 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.676 -7.275 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.805 -8.352 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.320 -6.715 -1.103 1.00 0.00 H new ATOM 401 N THR A 29 -3.525 -7.739 3.665 1.00 0.00 N ATOM 402 CA THR A 29 -3.464 -6.651 4.633 1.00 0.00 C ATOM 403 C THR A 29 -2.119 -5.937 4.575 1.00 0.00 C ATOM 404 O THR A 29 -1.074 -6.537 4.828 1.00 0.00 O ATOM 405 CB THR A 29 -3.699 -7.162 6.067 1.00 0.00 C ATOM 406 OG1 THR A 29 -4.735 -8.151 6.071 1.00 0.00 O ATOM 407 CG2 THR A 29 -4.080 -6.018 6.994 1.00 0.00 C ATOM 0 H THR A 29 -2.843 -8.482 3.822 1.00 0.00 H new ATOM 0 HA THR A 29 -4.256 -5.950 4.370 1.00 0.00 H new ATOM 0 HB THR A 29 -2.771 -7.606 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.335 -9.044 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.241 -6.404 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.277 -5.281 7.012 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.996 -5.548 6.635 1.00 0.00 H new ATOM 415 N VAL A 30 -2.151 -4.651 4.240 1.00 0.00 N ATOM 416 CA VAL A 30 -0.934 -3.854 4.150 1.00 0.00 C ATOM 417 C VAL A 30 -1.024 -2.612 5.030 1.00 0.00 C ATOM 418 O VAL A 30 -1.694 -1.639 4.684 1.00 0.00 O ATOM 419 CB VAL A 30 -0.652 -3.422 2.699 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.575 -2.524 2.637 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.476 -4.640 1.805 1.00 0.00 C ATOM 0 H VAL A 30 -3.007 -4.139 4.026 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.116 -4.485 4.499 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.508 -2.853 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.758 -2.229 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.406 -1.634 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.441 -3.064 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.278 -4.316 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.361 -5.238 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.386 -5.240 1.825 1.00 0.00 H new ATOM 431 N LYS A 31 -0.344 -2.651 6.170 1.00 0.00 N ATOM 432 CA LYS A 31 -0.344 -1.529 7.101 1.00 0.00 C ATOM 433 C LYS A 31 0.956 -0.737 6.999 1.00 0.00 C ATOM 434 O LYS A 31 2.044 -1.313 6.985 1.00 0.00 O ATOM 435 CB LYS A 31 -0.538 -2.029 8.535 1.00 0.00 C ATOM 436 CG LYS A 31 -0.160 -1.006 9.592 1.00 0.00 C ATOM 437 CD LYS A 31 -0.646 -1.422 10.970 1.00 0.00 C ATOM 438 CE LYS A 31 -2.137 -1.169 11.135 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.690 -1.870 12.328 1.00 0.00 N ATOM 0 H LYS A 31 0.215 -3.449 6.472 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.172 -0.871 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.581 -2.314 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.060 -2.928 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.923 -0.882 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.587 -0.038 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.436 -2.480 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.096 -0.871 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.315 -0.098 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.663 -1.503 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.708 -1.673 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.543 -2.895 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.206 -1.533 13.184 1.00 0.00 H new ATOM 453 N ILE A 32 0.834 0.584 6.931 1.00 0.00 N ATOM 454 CA ILE A 32 2.000 1.454 6.834 1.00 0.00 C ATOM 455 C ILE A 32 2.262 2.172 8.153 1.00 0.00 C ATOM 456 O ILE A 32 1.699 3.234 8.415 1.00 0.00 O ATOM 457 CB ILE A 32 1.830 2.501 5.717 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.267 1.845 4.454 1.00 0.00 C ATOM 459 CG2 ILE A 32 3.158 3.180 5.420 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.211 0.849 3.818 1.00 0.00 C ATOM 0 H ILE A 32 -0.060 1.075 6.941 1.00 0.00 H new ATOM 0 HA ILE A 32 2.851 0.816 6.596 1.00 0.00 H new ATOM 0 HB ILE A 32 1.124 3.260 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.333 1.341 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.027 2.621 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.021 3.917 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.522 3.677 6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.884 2.434 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.746 0.424 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.137 1.352 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.431 0.052 4.528 1.00 0.00 H new ATOM 472 N MET A 33 3.122 1.586 8.979 1.00 0.00 N ATOM 473 CA MET A 33 3.461 2.172 10.271 1.00 0.00 C ATOM 474 C MET A 33 3.637 3.682 10.153 1.00 0.00 C ATOM 475 O MET A 33 2.769 4.453 10.566 1.00 0.00 O ATOM 476 CB MET A 33 4.740 1.539 10.822 1.00 0.00 C ATOM 477 CG MET A 33 4.622 0.044 11.067 1.00 0.00 C ATOM 478 SD MET A 33 3.965 -0.343 12.701 1.00 0.00 S ATOM 479 CE MET A 33 3.932 -2.132 12.638 1.00 0.00 C ATOM 0 H MET A 33 3.597 0.706 8.777 1.00 0.00 H new ATOM 0 HA MET A 33 2.640 1.972 10.960 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.556 1.721 10.123 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.006 2.032 11.757 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.976 -0.395 10.307 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.603 -0.417 10.956 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.548 -2.522 13.580 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.287 -2.455 11.821 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.941 -2.509 12.474 1.00 0.00 H new ATOM 489 N LYS A 34 4.764 4.100 9.588 1.00 0.00 N ATOM 490 CA LYS A 34 5.054 5.519 9.414 1.00 0.00 C ATOM 491 C LYS A 34 6.354 5.718 8.641 1.00 0.00 C ATOM 492 O LYS A 34 7.005 4.752 8.244 1.00 0.00 O ATOM 493 CB LYS A 34 5.147 6.211 10.776 1.00 0.00 C ATOM 494 CG LYS A 34 6.385 5.831 11.569 1.00 0.00 C ATOM 495 CD LYS A 34 6.399 4.350 11.905 1.00 0.00 C ATOM 496 CE LYS A 34 7.285 4.059 13.107 1.00 0.00 C ATOM 497 NZ LYS A 34 8.522 4.890 13.098 1.00 0.00 N ATOM 0 H LYS A 34 5.493 3.476 9.242 1.00 0.00 H new ATOM 0 HA LYS A 34 4.240 5.964 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.139 7.291 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.261 5.963 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.277 6.083 10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.422 6.414 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.383 4.013 12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.755 3.784 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.727 4.248 14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.557 3.003 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.222 4.477 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.915 4.917 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.293 5.857 13.405 1.00 0.00 H new ATOM 511 N ALA A 35 6.726 6.977 8.433 1.00 0.00 N ATOM 512 CA ALA A 35 7.949 7.302 7.710 1.00 0.00 C ATOM 513 C ALA A 35 8.937 8.039 8.608 1.00 0.00 C ATOM 514 O ALA A 35 8.539 8.767 9.517 1.00 0.00 O ATOM 515 CB ALA A 35 7.629 8.135 6.478 1.00 0.00 C ATOM 0 H ALA A 35 6.198 7.788 8.755 1.00 0.00 H new ATOM 0 HA ALA A 35 8.413 6.368 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.552 8.370 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.966 7.572 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.139 9.060 6.782 1.00 0.00 H new ATOM 521 N GLN A 36 10.226 7.846 8.346 1.00 0.00 N ATOM 522 CA GLN A 36 11.270 8.492 9.133 1.00 0.00 C ATOM 523 C GLN A 36 12.448 8.890 8.250 1.00 0.00 C ATOM 524 O GLN A 36 12.690 8.279 7.210 1.00 0.00 O ATOM 525 CB GLN A 36 11.745 7.563 10.250 1.00 0.00 C ATOM 526 CG GLN A 36 10.611 6.952 11.057 1.00 0.00 C ATOM 527 CD GLN A 36 10.122 7.867 12.162 1.00 0.00 C ATOM 528 OE1 GLN A 36 8.808 8.045 12.245 1.00 0.00 O flip ATOM 529 NE2 GLN A 36 10.915 8.409 12.932 1.00 0.00 N flip ATOM 0 H GLN A 36 10.572 7.248 7.596 1.00 0.00 H new ATOM 0 HA GLN A 36 10.850 9.395 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.343 6.762 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.398 8.120 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.781 6.718 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.946 6.010 11.492 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.917 8.244 12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.570 9.023 13.670 1.00 0.00 H new ATOM 538 N GLU A 37 13.178 9.918 8.673 1.00 0.00 N ATOM 539 CA GLU A 37 14.330 10.397 7.919 1.00 0.00 C ATOM 540 C GLU A 37 13.921 10.824 6.512 1.00 0.00 C ATOM 541 O GLU A 37 14.542 10.427 5.525 1.00 0.00 O ATOM 542 CB GLU A 37 15.405 9.311 7.842 1.00 0.00 C ATOM 543 CG GLU A 37 16.156 9.104 9.147 1.00 0.00 C ATOM 544 CD GLU A 37 17.387 8.235 8.980 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.184 8.506 8.057 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.555 7.285 9.773 1.00 0.00 O ATOM 0 H GLU A 37 12.992 10.434 9.533 1.00 0.00 H new ATOM 0 HA GLU A 37 14.737 11.264 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.939 8.371 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.118 9.572 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.452 10.073 9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.489 8.646 9.877 1.00 0.00 H new ATOM 553 N LEU A 38 12.872 11.634 6.428 1.00 0.00 N ATOM 554 CA LEU A 38 12.378 12.115 5.142 1.00 0.00 C ATOM 555 C LEU A 38 12.941 13.496 4.825 1.00 0.00 C ATOM 556 O LEU A 38 12.997 14.382 5.678 1.00 0.00 O ATOM 557 CB LEU A 38 10.849 12.164 5.147 1.00 0.00 C ATOM 558 CG LEU A 38 10.134 10.821 5.296 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.692 10.928 4.826 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.870 9.737 4.522 1.00 0.00 C ATOM 0 H LEU A 38 12.347 11.972 7.235 1.00 0.00 H new ATOM 0 HA LEU A 38 12.711 11.421 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.529 12.815 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.517 12.628 4.218 1.00 0.00 H new ATOM 0 HG LEU A 38 10.131 10.548 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.200 9.962 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.169 11.675 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.672 11.224 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.347 8.788 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.905 10.004 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.886 9.642 4.906 1.00 0.00 H new ATOM 572 N PRO A 39 13.368 13.687 3.567 1.00 0.00 N ATOM 573 CA PRO A 39 13.933 14.959 3.107 1.00 0.00 C ATOM 574 C PRO A 39 12.883 16.062 3.022 1.00 0.00 C ATOM 575 O PRO A 39 11.683 15.795 3.078 1.00 0.00 O ATOM 576 CB PRO A 39 14.471 14.625 1.714 1.00 0.00 C ATOM 577 CG PRO A 39 13.654 13.465 1.260 1.00 0.00 C ATOM 578 CD PRO A 39 13.332 12.675 2.498 1.00 0.00 C ATOM 0 HA PRO A 39 14.691 15.340 3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.367 15.472 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.531 14.373 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.743 13.800 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.204 12.857 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.354 12.199 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.060 11.883 2.670 1.00 0.00 H new ATOM 586 N ALA A 40 13.343 17.301 2.885 1.00 0.00 N ATOM 587 CA ALA A 40 12.443 18.444 2.790 1.00 0.00 C ATOM 588 C ALA A 40 12.409 18.999 1.370 1.00 0.00 C ATOM 589 O ALA A 40 13.445 19.127 0.717 1.00 0.00 O ATOM 590 CB ALA A 40 12.861 19.528 3.772 1.00 0.00 C ATOM 0 H ALA A 40 14.334 17.539 2.837 1.00 0.00 H new ATOM 0 HA ALA A 40 11.438 18.106 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.180 20.375 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.827 19.132 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.876 19.854 3.544 1.00 0.00 H new ATOM 668 N THR A 46 9.877 21.341 5.770 1.00 0.00 N ATOM 669 CA THR A 46 8.823 20.338 5.850 1.00 0.00 C ATOM 670 C THR A 46 8.385 19.889 4.460 1.00 0.00 C ATOM 671 O THR A 46 8.794 20.467 3.453 1.00 0.00 O ATOM 672 CB THR A 46 7.597 20.871 6.614 1.00 0.00 C ATOM 673 OG1 THR A 46 6.869 19.782 7.193 1.00 0.00 O ATOM 674 CG2 THR A 46 6.685 21.664 5.690 1.00 0.00 C ATOM 0 HA THR A 46 9.237 19.487 6.391 1.00 0.00 H new ATOM 0 HB THR A 46 7.949 21.533 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.700 19.968 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.826 22.030 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.234 22.509 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.341 21.022 4.880 1.00 0.00 H new ATOM 682 N SER A 47 7.551 18.855 4.413 1.00 0.00 N ATOM 683 CA SER A 47 7.059 18.326 3.146 1.00 0.00 C ATOM 684 C SER A 47 5.796 17.498 3.356 1.00 0.00 C ATOM 685 O SER A 47 5.483 17.097 4.477 1.00 0.00 O ATOM 686 CB SER A 47 8.136 17.473 2.474 1.00 0.00 C ATOM 687 OG SER A 47 8.170 16.167 3.024 1.00 0.00 O ATOM 0 H SER A 47 7.202 18.367 5.238 1.00 0.00 H new ATOM 0 HA SER A 47 6.816 19.169 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.942 17.415 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.109 17.948 2.597 1.00 0.00 H new ATOM 0 HG SER A 47 8.994 15.716 2.745 1.00 0.00 H new ATOM 693 N ASP A 48 5.073 17.246 2.270 1.00 0.00 N ATOM 694 CA ASP A 48 3.844 16.465 2.334 1.00 0.00 C ATOM 695 C ASP A 48 4.052 15.075 1.741 1.00 0.00 C ATOM 696 O ASP A 48 3.545 14.749 0.667 1.00 0.00 O ATOM 697 CB ASP A 48 2.717 17.186 1.592 1.00 0.00 C ATOM 698 CG ASP A 48 3.229 18.025 0.437 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.992 18.981 0.690 1.00 0.00 O ATOM 700 OD2 ASP A 48 2.866 17.725 -0.719 1.00 0.00 O ATOM 0 H ASP A 48 5.317 17.572 1.335 1.00 0.00 H new ATOM 0 HA ASP A 48 3.567 16.355 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.005 16.451 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.177 17.825 2.290 1.00 0.00 H new ATOM 705 N PRO A 49 4.816 14.235 2.455 1.00 0.00 N ATOM 706 CA PRO A 49 5.109 12.867 2.018 1.00 0.00 C ATOM 707 C PRO A 49 3.883 11.962 2.083 1.00 0.00 C ATOM 708 O PRO A 49 3.039 12.106 2.968 1.00 0.00 O ATOM 709 CB PRO A 49 6.173 12.397 3.013 1.00 0.00 C ATOM 710 CG PRO A 49 5.941 13.221 4.233 1.00 0.00 C ATOM 711 CD PRO A 49 5.452 14.556 3.743 1.00 0.00 C ATOM 0 HA PRO A 49 5.433 12.832 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.071 11.333 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.178 12.548 2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.206 12.752 4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.859 13.330 4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.744 15.005 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.272 15.264 3.621 1.00 0.00 H new ATOM 719 N PHE A 50 3.791 11.030 1.140 1.00 0.00 N ATOM 720 CA PHE A 50 2.667 10.102 1.090 1.00 0.00 C ATOM 721 C PHE A 50 3.092 8.765 0.490 1.00 0.00 C ATOM 722 O PHE A 50 3.915 8.716 -0.424 1.00 0.00 O ATOM 723 CB PHE A 50 1.520 10.700 0.271 1.00 0.00 C ATOM 724 CG PHE A 50 1.857 10.892 -1.180 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.512 12.036 -1.607 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.518 9.930 -2.117 1.00 0.00 C ATOM 727 CE1 PHE A 50 2.822 12.216 -2.941 1.00 0.00 C ATOM 728 CE2 PHE A 50 1.826 10.104 -3.453 1.00 0.00 C ATOM 729 CZ PHE A 50 2.480 11.248 -3.865 1.00 0.00 C ATOM 0 H PHE A 50 4.481 10.897 0.400 1.00 0.00 H new ATOM 0 HA PHE A 50 2.324 9.930 2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.649 10.049 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.240 11.662 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.783 12.796 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.007 9.033 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.331 13.113 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.556 9.346 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.724 11.386 -4.908 1.00 0.00 H new ATOM 739 N VAL A 51 2.524 7.682 1.011 1.00 0.00 N ATOM 740 CA VAL A 51 2.843 6.344 0.528 1.00 0.00 C ATOM 741 C VAL A 51 1.950 5.957 -0.646 1.00 0.00 C ATOM 742 O VAL A 51 0.773 6.314 -0.690 1.00 0.00 O ATOM 743 CB VAL A 51 2.689 5.293 1.643 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.250 3.952 1.195 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.372 5.766 2.918 1.00 0.00 C ATOM 0 H VAL A 51 1.840 7.705 1.768 1.00 0.00 H new ATOM 0 HA VAL A 51 3.882 6.365 0.200 1.00 0.00 H new ATOM 0 HB VAL A 51 1.627 5.164 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.132 3.222 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.712 3.610 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.308 4.061 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.254 5.011 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.433 5.925 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.919 6.701 3.248 1.00 0.00 H new ATOM 755 N LYS A 52 2.519 5.223 -1.597 1.00 0.00 N ATOM 756 CA LYS A 52 1.775 4.784 -2.772 1.00 0.00 C ATOM 757 C LYS A 52 1.705 3.262 -2.835 1.00 0.00 C ATOM 758 O LYS A 52 2.719 2.593 -3.037 1.00 0.00 O ATOM 759 CB LYS A 52 2.427 5.328 -4.045 1.00 0.00 C ATOM 760 CG LYS A 52 1.913 6.698 -4.455 1.00 0.00 C ATOM 761 CD LYS A 52 2.235 7.002 -5.908 1.00 0.00 C ATOM 762 CE LYS A 52 1.633 8.329 -6.346 1.00 0.00 C ATOM 763 NZ LYS A 52 1.365 8.360 -7.810 1.00 0.00 N ATOM 0 H LYS A 52 3.493 4.920 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 52 0.760 5.173 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.505 5.384 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.254 4.626 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.835 6.743 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.357 7.461 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.316 7.029 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.854 6.201 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.704 8.503 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.312 9.140 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.955 9.280 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.255 8.219 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.697 7.602 -8.057 1.00 0.00 H new ATOM 777 N ILE A 53 0.504 2.722 -2.661 1.00 0.00 N ATOM 778 CA ILE A 53 0.303 1.279 -2.701 1.00 0.00 C ATOM 779 C ILE A 53 -0.113 0.820 -4.094 1.00 0.00 C ATOM 780 O ILE A 53 -1.186 1.176 -4.583 1.00 0.00 O ATOM 781 CB ILE A 53 -0.765 0.831 -1.685 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.431 1.366 -0.292 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.873 -0.686 -1.664 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.627 1.439 0.631 1.00 0.00 C ATOM 0 H ILE A 53 -0.345 3.262 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 53 1.257 0.820 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.729 1.240 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.328 0.728 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.004 2.361 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.632 -0.987 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.153 -1.045 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.088 -1.115 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.315 1.827 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.379 2.100 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.050 0.442 0.758 1.00 0.00 H new ATOM 796 N TYR A 54 0.742 0.025 -4.729 1.00 0.00 N ATOM 797 CA TYR A 54 0.464 -0.483 -6.067 1.00 0.00 C ATOM 798 C TYR A 54 0.746 -1.980 -6.151 1.00 0.00 C ATOM 799 O TYR A 54 1.817 -2.445 -5.761 1.00 0.00 O ATOM 800 CB TYR A 54 1.305 0.264 -7.104 1.00 0.00 C ATOM 801 CG TYR A 54 0.789 1.651 -7.416 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.809 2.654 -6.455 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.283 1.959 -8.673 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.338 3.922 -6.736 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.189 3.224 -8.963 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.160 4.202 -7.991 1.00 0.00 C ATOM 807 OH TYR A 54 -0.628 5.465 -8.275 1.00 0.00 O ATOM 0 H TYR A 54 1.633 -0.281 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.593 -0.318 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.330 0.340 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.334 -0.319 -8.024 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.199 2.439 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.258 1.196 -9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.360 4.690 -5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.579 3.446 -9.945 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.223 5.784 -9.109 1.00 0.00 H new ATOM 817 N LEU A 55 -0.224 -2.730 -6.663 1.00 0.00 N ATOM 818 CA LEU A 55 -0.082 -4.175 -6.800 1.00 0.00 C ATOM 819 C LEU A 55 0.339 -4.549 -8.217 1.00 0.00 C ATOM 820 O LEU A 55 -0.499 -4.863 -9.063 1.00 0.00 O ATOM 821 CB LEU A 55 -1.397 -4.872 -6.445 1.00 0.00 C ATOM 822 CG LEU A 55 -1.586 -5.240 -4.973 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.863 -6.044 -4.784 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.383 -6.018 -4.459 1.00 0.00 C ATOM 0 H LEU A 55 -1.117 -2.361 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 55 0.695 -4.506 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.221 -4.224 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.474 -5.783 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.672 -4.319 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.981 -6.297 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.717 -5.453 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.807 -6.960 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.535 -6.271 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.266 -6.933 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.515 -5.408 -4.559 1.00 0.00 H new ATOM 836 N LEU A 56 1.643 -4.515 -8.470 1.00 0.00 N ATOM 837 CA LEU A 56 2.177 -4.853 -9.785 1.00 0.00 C ATOM 838 C LEU A 56 2.054 -6.350 -10.054 1.00 0.00 C ATOM 839 O LEU A 56 2.075 -7.174 -9.140 1.00 0.00 O ATOM 840 CB LEU A 56 3.641 -4.423 -9.888 1.00 0.00 C ATOM 841 CG LEU A 56 3.981 -3.053 -9.302 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.414 -3.031 -8.793 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.765 -1.960 -10.339 1.00 0.00 C ATOM 0 H LEU A 56 2.350 -4.257 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 56 1.594 -4.319 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.255 -5.172 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.927 -4.427 -10.940 1.00 0.00 H new ATOM 0 HG LEU A 56 3.315 -2.864 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.638 -2.048 -8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.536 -3.787 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.096 -3.242 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.012 -0.992 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.406 -2.145 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.722 -1.960 -10.656 1.00 0.00 H new ATOM 855 N PRO A 57 1.924 -6.711 -11.339 1.00 0.00 N ATOM 856 CA PRO A 57 1.897 -5.739 -12.436 1.00 0.00 C ATOM 857 C PRO A 57 0.621 -4.905 -12.440 1.00 0.00 C ATOM 858 O PRO A 57 0.628 -3.743 -12.846 1.00 0.00 O ATOM 859 CB PRO A 57 1.967 -6.616 -13.689 1.00 0.00 C ATOM 860 CG PRO A 57 1.407 -7.929 -13.264 1.00 0.00 C ATOM 861 CD PRO A 57 1.794 -8.097 -11.821 1.00 0.00 C ATOM 0 HA PRO A 57 2.709 -5.016 -12.360 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.389 -6.185 -14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.993 -6.719 -14.043 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.324 -7.948 -13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.808 -8.740 -13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.036 -8.647 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.729 -8.648 -11.717 1.00 0.00 H new ATOM 869 N ASP A 58 -0.474 -5.505 -11.986 1.00 0.00 N ATOM 870 CA ASP A 58 -1.759 -4.817 -11.936 1.00 0.00 C ATOM 871 C ASP A 58 -1.575 -3.350 -11.560 1.00 0.00 C ATOM 872 O ASP A 58 -1.221 -3.028 -10.425 1.00 0.00 O ATOM 873 CB ASP A 58 -2.689 -5.501 -10.932 1.00 0.00 C ATOM 874 CG ASP A 58 -3.510 -6.607 -11.565 1.00 0.00 C ATOM 875 OD1 ASP A 58 -3.008 -7.251 -12.510 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.654 -6.829 -11.115 1.00 0.00 O ATOM 0 H ASP A 58 -0.497 -6.467 -11.647 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.209 -4.866 -12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.097 -5.914 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.358 -4.759 -10.497 1.00 0.00 H new ATOM 881 N LYS A 59 -1.816 -2.464 -12.520 1.00 0.00 N ATOM 882 CA LYS A 59 -1.677 -1.031 -12.292 1.00 0.00 C ATOM 883 C LYS A 59 -3.042 -0.350 -12.260 1.00 0.00 C ATOM 884 O LYS A 59 -3.150 0.859 -12.466 1.00 0.00 O ATOM 885 CB LYS A 59 -0.807 -0.401 -13.382 1.00 0.00 C ATOM 886 CG LYS A 59 0.675 -0.693 -13.221 1.00 0.00 C ATOM 887 CD LYS A 59 1.529 0.397 -13.845 1.00 0.00 C ATOM 888 CE LYS A 59 2.949 -0.085 -14.100 1.00 0.00 C ATOM 889 NZ LYS A 59 3.765 0.941 -14.808 1.00 0.00 N ATOM 0 H LYS A 59 -2.109 -2.714 -13.465 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.196 -0.888 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.137 -0.766 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.959 0.678 -13.378 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.916 -0.784 -12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.910 -1.651 -13.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.079 0.720 -14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.551 1.265 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.424 -0.335 -13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.921 -0.999 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.726 0.574 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.326 1.161 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.813 1.805 -14.231 1.00 0.00 H new ATOM 903 N LYS A 60 -4.083 -1.134 -12.001 1.00 0.00 N ATOM 904 CA LYS A 60 -5.442 -0.608 -11.939 1.00 0.00 C ATOM 905 C LYS A 60 -5.851 -0.325 -10.497 1.00 0.00 C ATOM 906 O LYS A 60 -5.964 0.831 -10.089 1.00 0.00 O ATOM 907 CB LYS A 60 -6.422 -1.596 -12.575 1.00 0.00 C ATOM 908 CG LYS A 60 -6.285 -1.703 -14.084 1.00 0.00 C ATOM 909 CD LYS A 60 -6.895 -0.502 -14.786 1.00 0.00 C ATOM 910 CE LYS A 60 -6.629 -0.537 -16.283 1.00 0.00 C ATOM 911 NZ LYS A 60 -7.172 0.667 -16.972 1.00 0.00 N ATOM 0 H LYS A 60 -4.012 -2.137 -11.830 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.468 0.329 -12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.269 -2.581 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.440 -1.292 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.231 -1.784 -14.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.772 -2.614 -14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.970 -0.482 -14.607 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.484 0.415 -14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.555 -0.603 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.078 -1.433 -16.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.970 0.605 -17.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.200 0.717 -16.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.725 1.521 -16.582 1.00 0.00 H new ATOM 925 N HIS A 61 -6.071 -1.389 -9.730 1.00 0.00 N ATOM 926 CA HIS A 61 -6.466 -1.254 -8.333 1.00 0.00 C ATOM 927 C HIS A 61 -5.314 -0.712 -7.492 1.00 0.00 C ATOM 928 O HIS A 61 -4.742 -1.427 -6.669 1.00 0.00 O ATOM 929 CB HIS A 61 -6.926 -2.603 -7.779 1.00 0.00 C ATOM 930 CG HIS A 61 -8.266 -3.035 -8.291 1.00 0.00 C ATOM 931 ND1 HIS A 61 -9.449 -2.453 -7.888 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.605 -3.998 -9.180 1.00 0.00 C ATOM 933 CE1 HIS A 61 -10.459 -3.040 -8.506 1.00 0.00 C ATOM 934 NE2 HIS A 61 -9.973 -3.981 -9.296 1.00 0.00 N ATOM 0 H HIS A 61 -5.982 -2.353 -10.052 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.294 -0.547 -8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.187 -3.362 -8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.963 -2.546 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.926 -4.657 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.503 -2.793 -8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.525 -4.595 -9.895 1.00 0.00 H new ATOM 943 N LYS A 62 -4.977 0.555 -7.706 1.00 0.00 N ATOM 944 CA LYS A 62 -3.894 1.194 -6.968 1.00 0.00 C ATOM 945 C LYS A 62 -4.442 2.075 -5.850 1.00 0.00 C ATOM 946 O LYS A 62 -5.457 2.752 -6.021 1.00 0.00 O ATOM 947 CB LYS A 62 -3.029 2.031 -7.914 1.00 0.00 C ATOM 948 CG LYS A 62 -3.565 3.433 -8.147 1.00 0.00 C ATOM 949 CD LYS A 62 -3.200 3.947 -9.530 1.00 0.00 C ATOM 950 CE LYS A 62 -4.244 4.920 -10.056 1.00 0.00 C ATOM 951 NZ LYS A 62 -4.345 6.138 -9.204 1.00 0.00 N ATOM 0 H LYS A 62 -5.439 1.160 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.281 0.411 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.021 2.100 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.951 1.517 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.649 3.433 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.164 4.107 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.228 4.440 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.104 3.107 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.990 5.210 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.214 4.425 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.042 6.792 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.645 5.867 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.418 6.606 -9.157 1.00 0.00 H new ATOM 965 N LEU A 63 -3.764 2.064 -4.708 1.00 0.00 N ATOM 966 CA LEU A 63 -4.183 2.863 -3.562 1.00 0.00 C ATOM 967 C LEU A 63 -3.008 3.648 -2.987 1.00 0.00 C ATOM 968 O LEU A 63 -1.855 3.405 -3.342 1.00 0.00 O ATOM 969 CB LEU A 63 -4.789 1.965 -2.482 1.00 0.00 C ATOM 970 CG LEU A 63 -6.285 1.676 -2.611 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.529 0.561 -3.615 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.877 1.315 -1.256 1.00 0.00 C ATOM 0 H LEU A 63 -2.922 1.511 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.938 3.572 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.254 1.015 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.611 2.428 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.780 2.577 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.599 0.370 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.141 0.858 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.022 -0.345 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.942 1.113 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.378 0.428 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.735 2.145 -0.564 1.00 0.00 H new ATOM 984 N GLU A 64 -3.309 4.587 -2.095 1.00 0.00 N ATOM 985 CA GLU A 64 -2.277 5.405 -1.470 1.00 0.00 C ATOM 986 C GLU A 64 -2.683 5.806 -0.055 1.00 0.00 C ATOM 987 O GLU A 64 -3.801 5.532 0.384 1.00 0.00 O ATOM 988 CB GLU A 64 -2.009 6.656 -2.310 1.00 0.00 C ATOM 989 CG GLU A 64 -1.625 6.353 -3.748 1.00 0.00 C ATOM 990 CD GLU A 64 -2.807 5.905 -4.585 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.944 6.320 -4.276 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.597 5.139 -5.549 1.00 0.00 O ATOM 0 H GLU A 64 -4.259 4.800 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.364 4.812 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.900 7.284 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.210 7.232 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.183 7.242 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.861 5.576 -3.760 1.00 0.00 H new ATOM 999 N THR A 65 -1.767 6.457 0.655 1.00 0.00 N ATOM 1000 CA THR A 65 -2.028 6.895 2.021 1.00 0.00 C ATOM 1001 C THR A 65 -2.274 8.399 2.079 1.00 0.00 C ATOM 1002 O THR A 65 -1.728 9.159 1.278 1.00 0.00 O ATOM 1003 CB THR A 65 -0.858 6.541 2.957 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.333 7.212 2.529 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.619 5.039 2.981 1.00 0.00 C ATOM 0 H THR A 65 -0.838 6.693 0.307 1.00 0.00 H new ATOM 0 HA THR A 65 -2.923 6.370 2.356 1.00 0.00 H new ATOM 0 HB THR A 65 -1.116 6.868 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.704 7.728 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.212 4.813 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.517 4.533 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.381 4.692 1.975 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.098 8.823 3.031 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.414 10.236 3.195 1.00 0.00 C ATOM 1015 C LYS A 66 -2.148 11.086 3.155 1.00 0.00 C ATOM 1016 O LYS A 66 -1.045 10.584 3.368 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.152 10.464 4.517 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.661 10.332 4.401 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.309 11.652 4.017 1.00 0.00 C ATOM 1020 CE LYS A 66 -7.753 11.458 3.582 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.542 12.715 3.702 1.00 0.00 N ATOM 0 H LYS A 66 -3.559 8.207 3.701 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.058 10.537 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.789 9.748 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.910 11.459 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.905 9.576 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.071 9.987 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.272 12.337 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.743 12.115 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.778 11.111 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.214 10.680 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.521 12.541 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.540 13.033 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.117 13.450 3.102 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.315 12.376 2.882 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.186 13.296 2.816 1.00 0.00 C ATOM 1037 C VAL A 67 -1.120 14.175 4.060 1.00 0.00 C ATOM 1038 O VAL A 67 -2.040 14.944 4.341 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.267 14.196 1.569 1.00 0.00 C ATOM 1040 CG1 VAL A 67 0.006 15.016 1.419 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.522 13.360 0.324 1.00 0.00 C ATOM 0 H VAL A 67 -3.222 12.808 2.703 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.284 12.686 2.757 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.102 14.885 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.069 15.646 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.140 15.644 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.860 14.347 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.576 14.012 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.709 12.646 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.464 12.822 0.434 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.025 14.057 4.804 1.00 0.00 N ATOM 1052 CA LYS A 68 0.163 14.842 6.018 1.00 0.00 C ATOM 1053 C LYS A 68 0.971 16.103 5.731 1.00 0.00 C ATOM 1054 O LYS A 68 2.201 16.088 5.775 1.00 0.00 O ATOM 1055 CB LYS A 68 0.869 14.004 7.087 1.00 0.00 C ATOM 1056 CG LYS A 68 0.076 12.786 7.527 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.850 13.113 8.687 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.921 12.047 8.862 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.904 12.417 9.918 1.00 0.00 N ATOM 0 H LYS A 68 0.746 13.425 4.587 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.820 15.137 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.835 13.678 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.067 14.631 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.509 12.409 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.761 11.991 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.269 13.200 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.322 14.080 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.443 11.897 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.450 11.098 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.617 11.665 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.410 12.535 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.372 13.309 9.660 1.00 0.00 H new ATOM 1073 N ARG A 69 0.271 17.195 5.438 1.00 0.00 N ATOM 1074 CA ARG A 69 0.924 18.465 5.144 1.00 0.00 C ATOM 1075 C ARG A 69 1.778 18.923 6.323 1.00 0.00 C ATOM 1076 O ARG A 69 1.375 18.802 7.480 1.00 0.00 O ATOM 1077 CB ARG A 69 -0.119 19.533 4.811 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.858 19.278 3.508 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.106 19.854 2.319 1.00 0.00 C ATOM 1080 NE ARG A 69 -0.929 19.885 1.113 1.00 0.00 N ATOM 1081 CZ ARG A 69 -0.541 20.445 -0.028 1.00 0.00 C ATOM 1082 NH1 ARG A 69 0.652 21.017 -0.117 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -1.347 20.433 -1.082 1.00 0.00 N ATOM 0 H ARG A 69 -0.748 17.225 5.398 1.00 0.00 H new ATOM 0 HA ARG A 69 1.574 18.320 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.843 19.588 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.373 20.504 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.993 18.205 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.853 19.721 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.228 20.864 2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.788 19.259 2.133 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.852 19.453 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.274 21.028 0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.948 21.446 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.265 19.994 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.048 20.863 -1.957 1.00 0.00 H new ATOM 1097 N LYS A 70 2.960 19.448 6.021 1.00 0.00 N ATOM 1098 CA LYS A 70 3.873 19.925 7.053 1.00 0.00 C ATOM 1099 C LYS A 70 4.262 18.794 8.000 1.00 0.00 C ATOM 1100 O LYS A 70 4.141 18.922 9.217 1.00 0.00 O ATOM 1101 CB LYS A 70 3.229 21.067 7.843 1.00 0.00 C ATOM 1102 CG LYS A 70 3.470 22.438 7.236 1.00 0.00 C ATOM 1103 CD LYS A 70 2.528 23.479 7.818 1.00 0.00 C ATOM 1104 CE LYS A 70 3.123 24.141 9.051 1.00 0.00 C ATOM 1105 NZ LYS A 70 2.068 24.648 9.971 1.00 0.00 N ATOM 0 H LYS A 70 3.309 19.554 5.068 1.00 0.00 H new ATOM 0 HA LYS A 70 4.775 20.292 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.155 20.892 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.617 21.057 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.502 22.740 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.335 22.387 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.312 24.237 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.580 23.008 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.753 23.425 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.766 24.966 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.514 25.092 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.483 25.350 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.470 23.857 10.283 1.00 0.00 H new ATOM 1119 N ASN A 71 4.732 17.688 7.432 1.00 0.00 N ATOM 1120 CA ASN A 71 5.140 16.535 8.226 1.00 0.00 C ATOM 1121 C ASN A 71 6.063 15.622 7.424 1.00 0.00 C ATOM 1122 O ASN A 71 5.639 14.982 6.461 1.00 0.00 O ATOM 1123 CB ASN A 71 3.912 15.752 8.695 1.00 0.00 C ATOM 1124 CG ASN A 71 4.161 15.010 9.994 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.289 14.614 10.289 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.107 14.817 10.777 1.00 0.00 N ATOM 0 H ASN A 71 4.840 17.566 6.425 1.00 0.00 H new ATOM 0 HA ASN A 71 5.685 16.899 9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.075 16.438 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.622 15.040 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.214 14.323 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.190 15.163 10.493 1.00 0.00 H new ATOM 1133 N LEU A 72 7.327 15.566 7.829 1.00 0.00 N ATOM 1134 CA LEU A 72 8.311 14.730 7.150 1.00 0.00 C ATOM 1135 C LEU A 72 8.343 13.329 7.750 1.00 0.00 C ATOM 1136 O LEU A 72 8.611 12.351 7.054 1.00 0.00 O ATOM 1137 CB LEU A 72 9.699 15.368 7.240 1.00 0.00 C ATOM 1138 CG LEU A 72 9.829 16.777 6.662 1.00 0.00 C ATOM 1139 CD1 LEU A 72 10.903 17.560 7.401 1.00 0.00 C ATOM 1140 CD2 LEU A 72 10.140 16.717 5.173 1.00 0.00 C ATOM 0 H LEU A 72 7.695 16.089 8.624 1.00 0.00 H new ATOM 0 HA LEU A 72 8.022 14.649 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.996 15.398 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.409 14.719 6.727 1.00 0.00 H new ATOM 0 HG LEU A 72 8.877 17.292 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.981 18.561 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.639 17.634 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.860 17.048 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.229 17.729 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.078 16.184 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.336 16.195 4.654 1.00 0.00 H new ATOM 1152 N ASN A 73 8.066 13.239 9.047 1.00 0.00 N ATOM 1153 CA ASN A 73 8.061 11.957 9.741 1.00 0.00 C ATOM 1154 C ASN A 73 6.673 11.640 10.289 1.00 0.00 C ATOM 1155 O ASN A 73 6.508 11.248 11.444 1.00 0.00 O ATOM 1156 CB ASN A 73 9.081 11.966 10.881 1.00 0.00 C ATOM 1157 CG ASN A 73 10.425 12.522 10.450 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.878 12.282 9.330 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.069 13.269 11.339 1.00 0.00 N ATOM 0 H ASN A 73 7.842 14.039 9.638 1.00 0.00 H new ATOM 0 HA ASN A 73 8.335 11.183 9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.693 12.561 11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.214 10.951 11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.977 13.670 11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.655 13.442 12.255 1.00 0.00 H new ATOM 1166 N PRO A 74 5.648 11.812 9.440 1.00 0.00 N ATOM 1167 CA PRO A 74 4.256 11.550 9.816 1.00 0.00 C ATOM 1168 C PRO A 74 3.977 10.062 10.005 1.00 0.00 C ATOM 1169 O PRO A 74 4.786 9.216 9.623 1.00 0.00 O ATOM 1170 CB PRO A 74 3.459 12.097 8.630 1.00 0.00 C ATOM 1171 CG PRO A 74 4.401 12.031 7.478 1.00 0.00 C ATOM 1172 CD PRO A 74 5.770 12.277 8.048 1.00 0.00 C ATOM 0 HA PRO A 74 3.998 12.011 10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.565 11.501 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.128 13.119 8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.351 11.058 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.151 12.780 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.537 11.724 7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.042 13.331 7.999 1.00 0.00 H new ATOM 1180 N HIS A 75 2.828 9.750 10.595 1.00 0.00 N ATOM 1181 CA HIS A 75 2.442 8.364 10.833 1.00 0.00 C ATOM 1182 C HIS A 75 1.056 8.080 10.261 1.00 0.00 C ATOM 1183 O HIS A 75 0.062 8.653 10.705 1.00 0.00 O ATOM 1184 CB HIS A 75 2.461 8.057 12.331 1.00 0.00 C ATOM 1185 CG HIS A 75 3.464 8.865 13.095 1.00 0.00 C ATOM 1186 ND1 HIS A 75 4.802 8.991 12.940 1.00 0.00 N flip ATOM 1187 CD2 HIS A 75 3.126 9.667 14.165 1.00 0.00 C flip ATOM 1188 CE1 HIS A 75 5.245 9.858 13.909 1.00 0.00 C flip ATOM 1189 NE2 HIS A 75 4.214 10.252 14.634 1.00 0.00 N flip ATOM 0 H HIS A 75 2.148 10.438 10.917 1.00 0.00 H new ATOM 0 HA HIS A 75 3.163 7.720 10.329 1.00 0.00 H new ATOM 0 HB2 HIS A 75 1.469 8.240 12.744 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.675 6.998 12.474 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.128 9.797 14.558 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.270 10.167 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.251 10.898 15.422 1.00 0.00 H new ATOM 1198 N TRP A 76 1.000 7.193 9.273 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.264 6.834 8.640 1.00 0.00 C ATOM 1200 C TRP A 76 -0.976 5.741 9.429 1.00 0.00 C ATOM 1201 O TRP A 76 -2.141 5.888 9.796 1.00 0.00 O ATOM 1202 CB TRP A 76 -0.023 6.369 7.203 1.00 0.00 C ATOM 1203 CG TRP A 76 0.562 7.433 6.324 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.105 8.472 5.740 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.932 7.560 5.928 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.768 9.238 5.006 1.00 0.00 N ATOM 1207 CE2 TRP A 76 2.024 8.700 5.105 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.090 6.824 6.190 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.227 9.117 4.543 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.284 7.238 5.632 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.346 8.377 4.817 1.00 0.00 C ATOM 0 H TRP A 76 1.814 6.710 8.894 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.900 7.719 8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.646 5.509 7.215 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.967 6.032 6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.163 8.663 5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.521 10.072 4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.052 5.946 6.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.276 9.993 3.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.185 6.675 5.827 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.295 8.677 4.397 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.269 4.646 9.685 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.836 3.527 10.431 1.00 0.00 C ATOM 1224 C ASN A 77 -2.179 3.106 9.842 1.00 0.00 C ATOM 1225 O ASN A 77 -3.078 2.680 10.566 1.00 0.00 O ATOM 1226 CB ASN A 77 -1.007 3.904 11.904 1.00 0.00 C ATOM 1227 CG ASN A 77 0.312 4.241 12.571 1.00 0.00 C ATOM 1228 OD1 ASN A 77 1.218 3.410 12.635 1.00 0.00 O ATOM 1229 ND2 ASN A 77 0.425 5.465 13.074 1.00 0.00 N ATOM 0 H ASN A 77 0.697 4.509 9.388 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.147 2.686 10.356 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.679 4.759 11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.479 3.078 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.289 5.749 13.536 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.352 6.121 12.998 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.306 3.228 8.525 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.540 2.860 7.840 1.00 0.00 C ATOM 1238 C GLU A 78 -3.576 1.362 7.552 1.00 0.00 C ATOM 1239 O GLU A 78 -2.539 0.699 7.520 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.678 3.645 6.533 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.354 4.995 6.703 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.823 4.871 7.060 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.589 4.327 6.238 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -6.205 5.319 8.161 1.00 0.00 O ATOM 0 H GLU A 78 -1.571 3.578 7.911 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.376 3.107 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.688 3.795 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.248 3.050 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.841 5.559 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.255 5.566 5.779 1.00 0.00 H new ATOM 1251 N THR A 79 -4.779 0.835 7.343 1.00 0.00 N ATOM 1252 CA THR A 79 -4.952 -0.584 7.059 1.00 0.00 C ATOM 1253 C THR A 79 -5.678 -0.796 5.736 1.00 0.00 C ATOM 1254 O THR A 79 -6.893 -0.622 5.648 1.00 0.00 O ATOM 1255 CB THR A 79 -5.737 -1.289 8.181 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.159 -0.978 9.454 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.740 -2.797 7.975 1.00 0.00 C ATOM 0 H THR A 79 -5.647 1.370 7.365 1.00 0.00 H new ATOM 0 HA THR A 79 -3.954 -1.018 6.995 1.00 0.00 H new ATOM 0 HB THR A 79 -6.767 -0.932 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.665 -1.429 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.300 -3.273 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.207 -3.033 7.019 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.715 -3.167 7.979 1.00 0.00 H new ATOM 1265 N PHE A 80 -4.926 -1.174 4.707 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.498 -1.409 3.387 1.00 0.00 C ATOM 1267 C PHE A 80 -5.888 -2.874 3.217 1.00 0.00 C ATOM 1268 O PHE A 80 -5.206 -3.772 3.712 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.504 -1.004 2.297 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.162 0.458 2.310 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -3.242 0.960 3.217 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -4.761 1.332 1.417 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -2.924 2.305 3.232 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -4.447 2.678 1.427 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.529 3.165 2.336 1.00 0.00 C ATOM 0 H PHE A 80 -3.919 -1.324 4.763 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.396 -0.799 3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.589 -1.584 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.920 -1.263 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.768 0.292 3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.481 0.957 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.204 2.683 3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.919 3.348 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.284 4.217 2.347 1.00 0.00 H new ATOM 1285 N LEU A 81 -6.991 -3.109 2.514 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.473 -4.465 2.277 1.00 0.00 C ATOM 1287 C LEU A 81 -7.871 -4.655 0.817 1.00 0.00 C ATOM 1288 O LEU A 81 -8.583 -3.830 0.245 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.665 -4.769 3.187 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.363 -4.859 4.683 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -9.653 -4.929 5.485 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.484 -6.065 4.977 1.00 0.00 C ATOM 0 H LEU A 81 -7.568 -2.378 2.098 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.663 -5.158 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.419 -3.996 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.108 -5.713 2.869 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.823 -3.960 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.418 -4.993 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.247 -4.034 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.220 -5.810 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.279 -6.114 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.997 -6.974 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.545 -5.972 4.431 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.408 -5.749 0.221 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.717 -6.048 -1.173 1.00 0.00 C ATOM 1306 C PHE A 82 -8.535 -7.331 -1.285 1.00 0.00 C ATOM 1307 O PHE A 82 -8.001 -8.432 -1.162 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.428 -6.179 -1.986 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.701 -4.878 -2.172 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -6.102 -3.978 -3.146 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.617 -4.554 -1.372 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.435 -2.781 -3.320 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.946 -3.358 -1.540 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.356 -2.469 -2.515 1.00 0.00 C ATOM 0 H PHE A 82 -6.818 -6.443 0.681 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.309 -5.225 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.766 -6.888 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.666 -6.596 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.946 -4.215 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.293 -5.245 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.757 -2.089 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.102 -3.118 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.834 -1.533 -2.648 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.835 -7.178 -1.519 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.728 -8.324 -1.646 1.00 0.00 C ATOM 1326 C GLU A 83 -10.919 -8.705 -3.112 1.00 0.00 C ATOM 1327 O GLU A 83 -10.902 -7.848 -3.994 1.00 0.00 O ATOM 1328 CB GLU A 83 -12.083 -8.017 -1.007 1.00 0.00 C ATOM 1329 CG GLU A 83 -12.031 -7.907 0.508 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.410 -7.833 1.135 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -13.949 -6.713 1.253 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.948 -8.896 1.508 1.00 0.00 O ATOM 0 H GLU A 83 -10.293 -6.273 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.272 -9.166 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.466 -7.083 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.790 -8.799 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.497 -8.767 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.462 -7.020 0.785 1.00 0.00 H new ATOM 1339 N GLY A 84 -11.100 -9.998 -3.362 1.00 0.00 N ATOM 1340 CA GLY A 84 -11.290 -10.471 -4.721 1.00 0.00 C ATOM 1341 C GLY A 84 -10.005 -10.976 -5.345 1.00 0.00 C ATOM 1342 O GLY A 84 -9.895 -11.072 -6.568 1.00 0.00 O ATOM 0 H GLY A 84 -11.118 -10.726 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.030 -11.271 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.693 -9.662 -5.331 1.00 0.00 H new ATOM 1346 N PHE A 85 -9.027 -11.298 -4.504 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.741 -11.793 -4.981 1.00 0.00 C ATOM 1348 C PHE A 85 -7.290 -13.004 -4.169 1.00 0.00 C ATOM 1349 O PHE A 85 -6.963 -12.903 -2.987 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.684 -10.689 -4.901 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.579 -9.868 -6.155 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.679 -9.182 -6.643 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.380 -9.783 -6.844 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.585 -8.427 -7.797 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -5.280 -9.029 -7.998 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.384 -8.349 -8.474 1.00 0.00 C ATOM 0 H PHE A 85 -9.101 -11.225 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.860 -12.098 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.920 -10.031 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.714 -11.140 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.620 -9.238 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.514 -10.312 -6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.450 -7.898 -8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.340 -8.972 -8.527 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.308 -7.757 -9.374 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.273 -14.178 -4.818 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.865 -15.431 -4.177 1.00 0.00 C ATOM 1368 C PRO A 86 -5.371 -15.466 -3.872 1.00 0.00 C ATOM 1369 O PRO A 86 -4.560 -14.936 -4.632 1.00 0.00 O ATOM 1370 CB PRO A 86 -7.223 -16.495 -5.218 1.00 0.00 C ATOM 1371 CG PRO A 86 -7.196 -15.774 -6.521 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.651 -14.371 -6.228 1.00 0.00 C ATOM 0 HA PRO A 86 -7.355 -15.575 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.508 -17.317 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.206 -16.924 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.193 -15.778 -6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.853 -16.254 -7.246 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.162 -13.646 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.725 -14.258 -6.375 1.00 0.00 H new ATOM 1380 N TYR A 87 -5.014 -16.094 -2.758 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.618 -16.197 -2.352 1.00 0.00 C ATOM 1382 C TYR A 87 -2.741 -16.637 -3.521 1.00 0.00 C ATOM 1383 O TYR A 87 -1.794 -15.946 -3.895 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.473 -17.183 -1.192 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.038 -17.546 -0.880 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.373 -18.520 -1.615 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.349 -16.916 0.149 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.062 -18.855 -1.334 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.038 -17.244 0.436 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.601 -18.214 -0.308 1.00 0.00 C ATOM 1391 OH TYR A 87 1.906 -18.545 -0.024 1.00 0.00 O ATOM 0 H TYR A 87 -5.673 -16.540 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.288 -15.211 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.932 -16.753 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.026 -18.092 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.889 -19.023 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.847 -16.157 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.441 -19.614 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.484 -16.744 1.238 1.00 0.00 H new ATOM 0 HH TYR A 87 2.226 -18.001 0.725 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.066 -17.792 -4.093 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.309 -18.326 -5.219 1.00 0.00 C ATOM 1403 C GLU A 88 -1.936 -17.216 -6.198 1.00 0.00 C ATOM 1404 O GLU A 88 -0.944 -17.316 -6.920 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.118 -19.406 -5.940 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.334 -18.868 -6.675 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.688 -19.691 -7.898 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -5.357 -20.733 -7.738 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -4.295 -19.294 -9.015 1.00 0.00 O ATOM 0 H GLU A 88 -3.848 -18.376 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.392 -18.768 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.471 -19.918 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.443 -20.150 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.186 -18.849 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.145 -17.838 -6.977 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.739 -16.158 -6.218 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.495 -15.028 -7.106 1.00 0.00 C ATOM 1418 C LYS A 89 -1.775 -13.903 -6.371 1.00 0.00 C ATOM 1419 O LYS A 89 -0.670 -13.509 -6.746 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.816 -14.511 -7.682 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.336 -15.336 -8.847 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.336 -14.554 -9.682 1.00 0.00 C ATOM 1423 CE LYS A 89 -6.017 -15.442 -10.712 1.00 0.00 C ATOM 1424 NZ LYS A 89 -5.039 -16.036 -11.665 1.00 0.00 N ATOM 0 H LYS A 89 -3.566 -16.060 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.858 -15.371 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.567 -14.499 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.681 -13.480 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.501 -15.647 -9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.807 -16.244 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.088 -14.109 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.827 -13.733 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.558 -16.239 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.754 -14.859 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.549 -16.565 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.481 -15.278 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.403 -16.680 -11.153 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.406 -13.389 -5.320 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.824 -12.311 -4.530 1.00 0.00 C ATOM 1440 C VAL A 90 -0.318 -12.493 -4.378 1.00 0.00 C ATOM 1441 O VAL A 90 0.435 -11.520 -4.335 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.464 -12.231 -3.131 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.751 -13.163 -2.163 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.444 -10.800 -2.617 1.00 0.00 C ATOM 0 H VAL A 90 -3.321 -13.702 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.023 -11.383 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.503 -12.551 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.217 -13.093 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.822 -14.188 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.702 -12.877 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.900 -10.762 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.414 -10.450 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.004 -10.160 -3.299 1.00 0.00 H new ATOM 1454 N VAL A 91 0.116 -13.747 -4.296 1.00 0.00 N ATOM 1455 CA VAL A 91 1.533 -14.057 -4.151 1.00 0.00 C ATOM 1456 C VAL A 91 2.311 -13.677 -5.405 1.00 0.00 C ATOM 1457 O VAL A 91 3.399 -13.107 -5.324 1.00 0.00 O ATOM 1458 CB VAL A 91 1.753 -15.554 -3.857 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.063 -15.951 -2.561 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.255 -16.402 -5.018 1.00 0.00 C ATOM 0 H VAL A 91 -0.494 -14.564 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 91 1.900 -13.471 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 91 2.822 -15.731 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.229 -17.011 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.471 -15.366 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.007 -15.761 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.418 -17.456 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.190 -16.223 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.800 -16.135 -5.924 1.00 0.00 H new ATOM 1470 N GLN A 92 1.746 -13.996 -6.565 1.00 0.00 N ATOM 1471 CA GLN A 92 2.387 -13.688 -7.838 1.00 0.00 C ATOM 1472 C GLN A 92 2.561 -12.182 -8.009 1.00 0.00 C ATOM 1473 O GLN A 92 3.262 -11.728 -8.913 1.00 0.00 O ATOM 1474 CB GLN A 92 1.564 -14.253 -8.997 1.00 0.00 C ATOM 1475 CG GLN A 92 1.277 -15.740 -8.871 1.00 0.00 C ATOM 1476 CD GLN A 92 0.859 -16.368 -10.187 1.00 0.00 C ATOM 1477 OE1 GLN A 92 1.581 -16.291 -11.181 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.312 -16.993 -10.199 1.00 0.00 N ATOM 0 H GLN A 92 0.846 -14.468 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 92 3.373 -14.152 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.619 -13.713 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.095 -14.072 -9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.166 -16.247 -8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.489 -15.893 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.878 -17.032 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.646 -17.434 -11.056 1.00 0.00 H new ATOM 1487 N ARG A 93 1.919 -11.414 -7.135 1.00 0.00 N ATOM 1488 CA ARG A 93 2.002 -9.960 -7.190 1.00 0.00 C ATOM 1489 C ARG A 93 3.190 -9.452 -6.378 1.00 0.00 C ATOM 1490 O ARG A 93 3.864 -10.224 -5.697 1.00 0.00 O ATOM 1491 CB ARG A 93 0.708 -9.334 -6.668 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.524 -9.723 -7.468 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.460 -9.182 -8.888 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.780 -9.122 -9.510 1.00 0.00 N ATOM 1495 CZ ARG A 93 -2.357 -10.157 -10.110 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.735 -11.326 -10.169 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.561 -10.023 -10.654 1.00 0.00 N ATOM 0 H ARG A 93 1.336 -11.775 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 93 2.144 -9.668 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.564 -9.631 -5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.810 -8.249 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.614 -10.809 -7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.417 -9.342 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.019 -8.185 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.195 -9.814 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.286 -8.237 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.810 -11.433 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.181 -12.118 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.043 -9.125 -10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.004 -10.818 -11.115 1.00 0.00 H new ATOM 1511 N ILE A 94 3.440 -8.149 -6.457 1.00 0.00 N ATOM 1512 CA ILE A 94 4.545 -7.539 -5.729 1.00 0.00 C ATOM 1513 C ILE A 94 4.122 -6.218 -5.094 1.00 0.00 C ATOM 1514 O ILE A 94 3.631 -5.318 -5.776 1.00 0.00 O ATOM 1515 CB ILE A 94 5.755 -7.289 -6.648 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.470 -8.606 -6.956 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.713 -6.297 -6.005 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.163 -8.618 -8.300 1.00 0.00 C ATOM 0 H ILE A 94 2.892 -7.496 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 94 4.833 -8.241 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 94 5.398 -6.863 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.205 -8.802 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.745 -9.420 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.563 -6.131 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.197 -5.352 -5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.066 -6.696 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.648 -9.582 -8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.429 -8.454 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.912 -7.826 -8.330 1.00 0.00 H new ATOM 1530 N LEU A 95 4.319 -6.108 -3.784 1.00 0.00 N ATOM 1531 CA LEU A 95 3.960 -4.896 -3.056 1.00 0.00 C ATOM 1532 C LEU A 95 4.883 -3.741 -3.433 1.00 0.00 C ATOM 1533 O LEU A 95 6.102 -3.836 -3.291 1.00 0.00 O ATOM 1534 CB LEU A 95 4.026 -5.145 -1.548 1.00 0.00 C ATOM 1535 CG LEU A 95 3.253 -4.160 -0.671 1.00 0.00 C ATOM 1536 CD1 LEU A 95 1.766 -4.217 -0.985 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.501 -4.450 0.802 1.00 0.00 C ATOM 0 H LEU A 95 4.725 -6.843 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 95 2.940 -4.626 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.651 -6.149 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.072 -5.129 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 95 3.610 -3.153 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.233 -3.509 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.605 -3.959 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.393 -5.224 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.943 -3.739 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.173 -5.463 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.565 -4.355 1.017 1.00 0.00 H new ATOM 1549 N TYR A 96 4.293 -2.651 -3.911 1.00 0.00 N ATOM 1550 CA TYR A 96 5.061 -1.478 -4.308 1.00 0.00 C ATOM 1551 C TYR A 96 4.678 -0.265 -3.465 1.00 0.00 C ATOM 1552 O TYR A 96 3.591 0.293 -3.617 1.00 0.00 O ATOM 1553 CB TYR A 96 4.838 -1.174 -5.790 1.00 0.00 C ATOM 1554 CG TYR A 96 5.582 0.050 -6.276 1.00 0.00 C ATOM 1555 CD1 TYR A 96 5.008 1.313 -6.195 1.00 0.00 C ATOM 1556 CD2 TYR A 96 6.857 -0.056 -6.816 1.00 0.00 C ATOM 1557 CE1 TYR A 96 5.683 2.434 -6.638 1.00 0.00 C ATOM 1558 CE2 TYR A 96 7.540 1.059 -7.260 1.00 0.00 C ATOM 1559 CZ TYR A 96 6.949 2.302 -7.169 1.00 0.00 C ATOM 1560 OH TYR A 96 7.625 3.416 -7.612 1.00 0.00 O ATOM 0 H TYR A 96 3.285 -2.556 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 96 6.117 -1.694 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.149 -2.036 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.772 -1.035 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.017 1.420 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.323 -1.028 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.222 3.408 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.531 0.958 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 96 8.503 3.150 -7.956 1.00 0.00 H new ATOM 1570 N LEU A 97 5.580 0.138 -2.576 1.00 0.00 N ATOM 1571 CA LEU A 97 5.339 1.285 -1.708 1.00 0.00 C ATOM 1572 C LEU A 97 6.319 2.413 -2.012 1.00 0.00 C ATOM 1573 O LEU A 97 7.526 2.268 -1.821 1.00 0.00 O ATOM 1574 CB LEU A 97 5.458 0.873 -0.240 1.00 0.00 C ATOM 1575 CG LEU A 97 4.783 -0.445 0.144 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.463 -1.058 1.359 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.302 -0.226 0.414 1.00 0.00 C ATOM 0 H LEU A 97 6.485 -0.313 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 97 4.328 1.646 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.516 0.803 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.035 1.667 0.375 1.00 0.00 H new ATOM 0 HG LEU A 97 4.881 -1.139 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.970 -1.995 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.511 -1.251 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.396 -0.368 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.838 -1.174 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.182 0.484 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.823 0.169 -0.482 1.00 0.00 H new ATOM 1589 N GLN A 98 5.791 3.538 -2.485 1.00 0.00 N ATOM 1590 CA GLN A 98 6.620 4.691 -2.814 1.00 0.00 C ATOM 1591 C GLN A 98 6.231 5.900 -1.969 1.00 0.00 C ATOM 1592 O GLN A 98 5.057 6.262 -1.889 1.00 0.00 O ATOM 1593 CB GLN A 98 6.493 5.030 -4.300 1.00 0.00 C ATOM 1594 CG GLN A 98 6.833 6.476 -4.626 1.00 0.00 C ATOM 1595 CD GLN A 98 6.520 6.839 -6.064 1.00 0.00 C ATOM 1596 OE1 GLN A 98 5.612 6.275 -6.675 1.00 0.00 O ATOM 1597 NE2 GLN A 98 7.271 7.787 -6.612 1.00 0.00 N ATOM 0 H GLN A 98 4.794 3.675 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 98 7.657 4.436 -2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.149 4.374 -4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.474 4.823 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.277 7.135 -3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.892 6.648 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.013 8.228 -6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.106 8.075 -7.577 1.00 0.00 H new ATOM 1606 N VAL A 99 7.224 6.521 -1.340 1.00 0.00 N ATOM 1607 CA VAL A 99 6.986 7.689 -0.502 1.00 0.00 C ATOM 1608 C VAL A 99 7.524 8.956 -1.159 1.00 0.00 C ATOM 1609 O VAL A 99 8.732 9.108 -1.342 1.00 0.00 O ATOM 1610 CB VAL A 99 7.636 7.527 0.885 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.488 8.805 1.697 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.028 6.344 1.622 1.00 0.00 C ATOM 0 H VAL A 99 8.201 6.234 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 99 5.906 7.777 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 99 8.700 7.333 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.953 8.671 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.975 9.628 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.430 9.033 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.499 6.244 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.958 6.506 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.191 5.433 1.046 1.00 0.00 H new ATOM 1622 N LEU A 100 6.619 9.863 -1.511 1.00 0.00 N ATOM 1623 CA LEU A 100 7.003 11.118 -2.147 1.00 0.00 C ATOM 1624 C LEU A 100 6.079 12.253 -1.714 1.00 0.00 C ATOM 1625 O LEU A 100 5.093 12.030 -1.012 1.00 0.00 O ATOM 1626 CB LEU A 100 6.970 10.972 -3.669 1.00 0.00 C ATOM 1627 CG LEU A 100 5.596 10.720 -4.290 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.582 11.149 -5.749 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.212 9.253 -4.160 1.00 0.00 C ATOM 0 H LEU A 100 5.615 9.753 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 100 8.018 11.360 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.385 11.878 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.629 10.151 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 100 4.861 11.317 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.596 10.962 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.811 12.212 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.329 10.581 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.231 9.093 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.950 8.637 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.179 8.977 -3.106 1.00 0.00 H new ATOM 1641 N ASP A 101 6.405 13.468 -2.139 1.00 0.00 N ATOM 1642 CA ASP A 101 5.603 14.638 -1.798 1.00 0.00 C ATOM 1643 C ASP A 101 4.702 15.037 -2.963 1.00 0.00 C ATOM 1644 O ASP A 101 5.071 14.883 -4.127 1.00 0.00 O ATOM 1645 CB ASP A 101 6.508 15.809 -1.412 1.00 0.00 C ATOM 1646 CG ASP A 101 5.877 17.153 -1.715 1.00 0.00 C ATOM 1647 OD1 ASP A 101 5.698 17.469 -2.911 1.00 0.00 O ATOM 1648 OD2 ASP A 101 5.561 17.889 -0.758 1.00 0.00 O ATOM 0 H ASP A 101 7.219 13.669 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 101 4.973 14.381 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.739 15.751 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.453 15.726 -1.948 1.00 0.00 H new ATOM 1791 N PRO A 110 9.528 12.302 -6.808 1.00 0.00 N ATOM 1792 CA PRO A 110 9.567 11.073 -6.010 1.00 0.00 C ATOM 1793 C PRO A 110 10.820 10.982 -5.146 1.00 0.00 C ATOM 1794 O PRO A 110 11.940 11.083 -5.648 1.00 0.00 O ATOM 1795 CB PRO A 110 9.564 9.964 -7.065 1.00 0.00 C ATOM 1796 CG PRO A 110 10.144 10.599 -8.282 1.00 0.00 C ATOM 1797 CD PRO A 110 9.712 12.038 -8.245 1.00 0.00 C ATOM 0 HA PRO A 110 8.734 11.016 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.158 9.109 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.554 9.598 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.231 10.518 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.786 10.107 -9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.465 12.695 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.789 12.195 -8.804 1.00 0.00 H new ATOM 1805 N ILE A 111 10.624 10.791 -3.845 1.00 0.00 N ATOM 1806 CA ILE A 111 11.739 10.685 -2.913 1.00 0.00 C ATOM 1807 C ILE A 111 12.359 9.292 -2.953 1.00 0.00 C ATOM 1808 O ILE A 111 13.576 9.146 -3.059 1.00 0.00 O ATOM 1809 CB ILE A 111 11.298 10.996 -1.470 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.617 12.365 -1.407 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.493 10.949 -0.529 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.844 12.596 -0.128 1.00 0.00 C ATOM 0 H ILE A 111 9.704 10.707 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 111 12.481 11.420 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 111 10.581 10.239 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.373 13.143 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.939 12.464 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.165 11.171 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.940 9.955 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.231 11.687 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.388 13.586 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 111 9.065 11.840 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.521 12.529 0.724 1.00 0.00 H new ATOM 1824 N GLY A 112 11.512 8.270 -2.869 1.00 0.00 N ATOM 1825 CA GLY A 112 11.995 6.902 -2.900 1.00 0.00 C ATOM 1826 C GLY A 112 10.868 5.889 -2.899 1.00 0.00 C ATOM 1827 O GLY A 112 9.696 6.256 -2.827 1.00 0.00 O ATOM 0 H GLY A 112 10.500 8.365 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.609 6.757 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.637 6.727 -2.037 1.00 0.00 H new ATOM 1831 N GLU A 113 11.223 4.611 -2.981 1.00 0.00 N ATOM 1832 CA GLU A 113 10.230 3.542 -2.992 1.00 0.00 C ATOM 1833 C GLU A 113 10.869 2.203 -2.637 1.00 0.00 C ATOM 1834 O GLU A 113 12.090 2.095 -2.525 1.00 0.00 O ATOM 1835 CB GLU A 113 9.561 3.452 -4.365 1.00 0.00 C ATOM 1836 CG GLU A 113 10.514 3.062 -5.483 1.00 0.00 C ATOM 1837 CD GLU A 113 10.631 1.560 -5.652 1.00 0.00 C ATOM 1838 OE1 GLU A 113 9.650 0.851 -5.344 1.00 0.00 O ATOM 1839 OE2 GLU A 113 11.702 1.093 -6.093 1.00 0.00 O ATOM 0 H GLU A 113 12.189 4.290 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 113 9.474 3.775 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.752 2.723 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.109 4.415 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.171 3.503 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.500 3.479 -5.277 1.00 0.00 H new ATOM 1846 N VAL A 114 10.034 1.184 -2.459 1.00 0.00 N ATOM 1847 CA VAL A 114 10.515 -0.149 -2.116 1.00 0.00 C ATOM 1848 C VAL A 114 9.762 -1.222 -2.894 1.00 0.00 C ATOM 1849 O VAL A 114 8.574 -1.076 -3.182 1.00 0.00 O ATOM 1850 CB VAL A 114 10.372 -0.427 -0.608 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.302 -1.552 -0.181 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.646 0.836 0.195 1.00 0.00 C ATOM 0 H VAL A 114 9.020 1.256 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 114 11.571 -0.183 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 114 9.347 -0.741 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.187 -1.734 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.053 -2.459 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.334 -1.271 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.540 0.621 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.660 1.182 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.934 1.611 -0.091 1.00 0.00 H new ATOM 1862 N SER A 115 10.462 -2.301 -3.231 1.00 0.00 N ATOM 1863 CA SER A 115 9.860 -3.399 -3.979 1.00 0.00 C ATOM 1864 C SER A 115 10.082 -4.729 -3.265 1.00 0.00 C ATOM 1865 O SER A 115 11.219 -5.163 -3.079 1.00 0.00 O ATOM 1866 CB SER A 115 10.444 -3.462 -5.392 1.00 0.00 C ATOM 1867 OG SER A 115 11.772 -3.956 -5.373 1.00 0.00 O ATOM 0 H SER A 115 11.446 -2.438 -2.998 1.00 0.00 H new ATOM 0 HA SER A 115 8.787 -3.216 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.823 -4.103 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.429 -2.468 -5.840 1.00 0.00 H new ATOM 0 HG SER A 115 11.969 -4.332 -4.490 1.00 0.00 H new ATOM 1873 N ILE A 116 8.988 -5.369 -2.868 1.00 0.00 N ATOM 1874 CA ILE A 116 9.062 -6.650 -2.175 1.00 0.00 C ATOM 1875 C ILE A 116 7.927 -7.573 -2.604 1.00 0.00 C ATOM 1876 O ILE A 116 6.747 -7.244 -2.484 1.00 0.00 O ATOM 1877 CB ILE A 116 9.011 -6.467 -0.647 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.243 -5.700 -0.161 1.00 0.00 C ATOM 1879 CG2 ILE A 116 8.914 -7.819 0.045 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.132 -5.223 1.270 1.00 0.00 C ATOM 0 H ILE A 116 8.040 -5.022 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 116 10.016 -7.101 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 116 8.123 -5.887 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.120 -6.340 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.405 -4.840 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.879 -7.673 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.009 -8.331 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.785 -8.422 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.040 -4.688 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.275 -4.557 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.001 -6.080 1.930 1.00 0.00 H new ATOM 1892 N PRO A 117 8.290 -8.759 -3.115 1.00 0.00 N ATOM 1893 CA PRO A 117 7.317 -9.757 -3.569 1.00 0.00 C ATOM 1894 C PRO A 117 6.544 -10.381 -2.413 1.00 0.00 C ATOM 1895 O PRO A 117 7.111 -10.674 -1.360 1.00 0.00 O ATOM 1896 CB PRO A 117 8.186 -10.810 -4.262 1.00 0.00 C ATOM 1897 CG PRO A 117 9.525 -10.676 -3.624 1.00 0.00 C ATOM 1898 CD PRO A 117 9.679 -9.218 -3.287 1.00 0.00 C ATOM 0 HA PRO A 117 6.556 -9.320 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.780 -11.812 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.240 -10.634 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.594 -11.293 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.314 -11.006 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.265 -9.075 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.187 -8.673 -4.083 1.00 0.00 H new ATOM 1906 N LEU A 118 5.246 -10.583 -2.616 1.00 0.00 N ATOM 1907 CA LEU A 118 4.394 -11.173 -1.590 1.00 0.00 C ATOM 1908 C LEU A 118 4.562 -12.689 -1.549 1.00 0.00 C ATOM 1909 O LEU A 118 4.045 -13.356 -0.654 1.00 0.00 O ATOM 1910 CB LEU A 118 2.929 -10.818 -1.849 1.00 0.00 C ATOM 1911 CG LEU A 118 2.545 -9.354 -1.630 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.144 -9.085 -2.157 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.641 -8.992 -0.155 1.00 0.00 C ATOM 0 H LEU A 118 4.761 -10.347 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 118 4.695 -10.766 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.687 -11.086 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.306 -11.437 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 118 3.245 -8.728 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.888 -8.038 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.108 -9.304 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.430 -9.720 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.364 -7.947 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.965 -9.625 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.663 -9.145 0.191 1.00 0.00 H new ATOM 1925 N ASN A 119 5.289 -13.225 -2.524 1.00 0.00 N ATOM 1926 CA ASN A 119 5.526 -14.662 -2.598 1.00 0.00 C ATOM 1927 C ASN A 119 6.730 -15.059 -1.750 1.00 0.00 C ATOM 1928 O ASN A 119 6.862 -16.213 -1.339 1.00 0.00 O ATOM 1929 CB ASN A 119 5.749 -15.089 -4.051 1.00 0.00 C ATOM 1930 CG ASN A 119 6.584 -16.350 -4.161 1.00 0.00 C ATOM 1931 OD1 ASN A 119 6.254 -17.380 -3.574 1.00 0.00 O ATOM 1932 ND2 ASN A 119 7.673 -16.273 -4.917 1.00 0.00 N ATOM 0 H ASN A 119 5.724 -12.686 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 119 4.645 -15.171 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.784 -15.252 -4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.242 -14.282 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.275 -17.089 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 119 7.908 -15.398 -5.385 1.00 0.00 H new ATOM 1939 N LYS A 120 7.608 -14.096 -1.490 1.00 0.00 N ATOM 1940 CA LYS A 120 8.801 -14.342 -0.689 1.00 0.00 C ATOM 1941 C LYS A 120 8.496 -14.198 0.799 1.00 0.00 C ATOM 1942 O LYS A 120 8.969 -14.986 1.619 1.00 0.00 O ATOM 1943 CB LYS A 120 9.917 -13.375 -1.088 1.00 0.00 C ATOM 1944 CG LYS A 120 10.452 -13.608 -2.490 1.00 0.00 C ATOM 1945 CD LYS A 120 11.336 -14.842 -2.552 1.00 0.00 C ATOM 1946 CE LYS A 120 11.601 -15.267 -3.988 1.00 0.00 C ATOM 1947 NZ LYS A 120 11.959 -16.709 -4.083 1.00 0.00 N ATOM 0 H LYS A 120 7.515 -13.136 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 120 9.130 -15.364 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.544 -12.353 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.737 -13.466 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.619 -13.721 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.020 -12.736 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.283 -14.638 -2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.859 -15.660 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.716 -15.072 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.409 -14.664 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.132 -16.959 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.818 -16.891 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.177 -17.286 -3.712 1.00 0.00 H new ATOM 1961 N VAL A 121 7.703 -13.188 1.141 1.00 0.00 N ATOM 1962 CA VAL A 121 7.334 -12.943 2.530 1.00 0.00 C ATOM 1963 C VAL A 121 6.303 -13.957 3.012 1.00 0.00 C ATOM 1964 O VAL A 121 5.354 -14.281 2.297 1.00 0.00 O ATOM 1965 CB VAL A 121 6.767 -11.523 2.717 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.774 -11.194 1.613 1.00 0.00 C ATOM 1967 CG2 VAL A 121 6.119 -11.385 4.087 1.00 0.00 C ATOM 0 H VAL A 121 7.304 -12.526 0.475 1.00 0.00 H new ATOM 0 HA VAL A 121 8.244 -13.045 3.122 1.00 0.00 H new ATOM 0 HB VAL A 121 7.590 -10.811 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.384 -10.187 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.273 -11.250 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.951 -11.909 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.724 -10.376 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.307 -12.106 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.862 -11.574 4.862 1.00 0.00 H new ATOM 1977 N ASP A 122 6.495 -14.455 4.228 1.00 0.00 N ATOM 1978 CA ASP A 122 5.581 -15.432 4.808 1.00 0.00 C ATOM 1979 C ASP A 122 4.225 -14.799 5.104 1.00 0.00 C ATOM 1980 O ASP A 122 3.914 -14.479 6.253 1.00 0.00 O ATOM 1981 CB ASP A 122 6.174 -16.020 6.089 1.00 0.00 C ATOM 1982 CG ASP A 122 7.328 -16.963 5.813 1.00 0.00 C ATOM 1983 OD1 ASP A 122 8.244 -16.575 5.057 1.00 0.00 O ATOM 1984 OD2 ASP A 122 7.317 -18.089 6.353 1.00 0.00 O ATOM 0 H ASP A 122 7.276 -14.198 4.832 1.00 0.00 H new ATOM 0 HA ASP A 122 5.437 -16.233 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.517 -15.210 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.396 -16.553 6.635 1.00 0.00 H new ATOM 1989 N LEU A 123 3.421 -14.619 4.062 1.00 0.00 N ATOM 1990 CA LEU A 123 2.098 -14.023 4.210 1.00 0.00 C ATOM 1991 C LEU A 123 1.279 -14.768 5.259 1.00 0.00 C ATOM 1992 O LEU A 123 0.294 -14.245 5.781 1.00 0.00 O ATOM 1993 CB LEU A 123 1.360 -14.032 2.870 1.00 0.00 C ATOM 1994 CG LEU A 123 1.758 -12.939 1.877 1.00 0.00 C ATOM 1995 CD1 LEU A 123 1.033 -13.130 0.554 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.463 -11.562 2.455 1.00 0.00 C ATOM 0 H LEU A 123 3.662 -14.877 3.105 1.00 0.00 H new ATOM 0 HA LEU A 123 2.226 -12.992 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.520 -15.001 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.291 -13.945 3.066 1.00 0.00 H new ATOM 0 HG LEU A 123 2.830 -13.013 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.329 -12.343 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.293 -14.101 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.043 -13.083 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.752 -10.796 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.397 -11.477 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.028 -11.426 3.377 1.00 0.00 H new ATOM 2008 N THR A 124 1.694 -15.993 5.566 1.00 0.00 N ATOM 2009 CA THR A 124 1.001 -16.810 6.554 1.00 0.00 C ATOM 2010 C THR A 124 0.531 -15.966 7.733 1.00 0.00 C ATOM 2011 O THR A 124 -0.433 -16.317 8.414 1.00 0.00 O ATOM 2012 CB THR A 124 1.901 -17.945 7.076 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.098 -17.400 7.643 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.258 -18.911 5.957 1.00 0.00 C ATOM 0 H THR A 124 2.507 -16.441 5.144 1.00 0.00 H new ATOM 0 HA THR A 124 0.135 -17.244 6.054 1.00 0.00 H new ATOM 0 HB THR A 124 1.352 -18.490 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.664 -18.128 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.894 -19.704 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.346 -19.346 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.790 -18.376 5.170 1.00 0.00 H new ATOM 2022 N GLN A 125 1.217 -14.853 7.969 1.00 0.00 N ATOM 2023 CA GLN A 125 0.868 -13.959 9.067 1.00 0.00 C ATOM 2024 C GLN A 125 1.462 -12.571 8.849 1.00 0.00 C ATOM 2025 O GLN A 125 2.360 -12.392 8.027 1.00 0.00 O ATOM 2026 CB GLN A 125 1.360 -14.534 10.396 1.00 0.00 C ATOM 2027 CG GLN A 125 2.781 -15.070 10.338 1.00 0.00 C ATOM 2028 CD GLN A 125 3.074 -16.069 11.440 1.00 0.00 C ATOM 2029 OE1 GLN A 125 2.646 -17.222 11.378 1.00 0.00 O ATOM 2030 NE2 GLN A 125 3.806 -15.631 12.457 1.00 0.00 N ATOM 0 H GLN A 125 2.017 -14.548 7.415 1.00 0.00 H new ATOM 0 HA GLN A 125 -0.218 -13.869 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.304 -13.759 11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 125 0.690 -15.336 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.947 -15.543 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.482 -14.239 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.140 -14.667 12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.035 -16.258 13.228 1.00 0.00 H new ATOM 2039 N MET A 126 0.953 -11.592 9.590 1.00 0.00 N ATOM 2040 CA MET A 126 1.434 -10.220 9.477 1.00 0.00 C ATOM 2041 C MET A 126 2.919 -10.135 9.815 1.00 0.00 C ATOM 2042 O MET A 126 3.372 -10.705 10.807 1.00 0.00 O ATOM 2043 CB MET A 126 0.635 -9.299 10.402 1.00 0.00 C ATOM 2044 CG MET A 126 0.471 -7.888 9.861 1.00 0.00 C ATOM 2045 SD MET A 126 -1.026 -7.692 8.876 1.00 0.00 S ATOM 2046 CE MET A 126 -0.690 -6.136 8.056 1.00 0.00 C ATOM 0 H MET A 126 0.208 -11.723 10.274 1.00 0.00 H new ATOM 0 HA MET A 126 1.295 -9.896 8.445 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.351 -9.732 10.569 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.131 -9.252 11.371 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.449 -7.184 10.693 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.338 -7.634 9.252 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.571 -5.497 8.114 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.150 -5.641 8.544 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.444 -6.321 7.010 1.00 0.00 H new ATOM 2056 N GLN A 127 3.671 -9.421 8.983 1.00 0.00 N ATOM 2057 CA GLN A 127 5.105 -9.263 9.194 1.00 0.00 C ATOM 2058 C GLN A 127 5.561 -7.860 8.809 1.00 0.00 C ATOM 2059 O GLN A 127 5.204 -7.349 7.747 1.00 0.00 O ATOM 2060 CB GLN A 127 5.879 -10.305 8.384 1.00 0.00 C ATOM 2061 CG GLN A 127 5.467 -11.737 8.683 1.00 0.00 C ATOM 2062 CD GLN A 127 5.912 -12.198 10.057 1.00 0.00 C ATOM 2063 OE1 GLN A 127 6.431 -11.411 10.850 1.00 0.00 O ATOM 2064 NE2 GLN A 127 5.712 -13.478 10.346 1.00 0.00 N ATOM 0 H GLN A 127 3.311 -8.943 8.157 1.00 0.00 H new ATOM 0 HA GLN A 127 5.309 -9.413 10.254 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.734 -10.108 7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.944 -10.192 8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.383 -11.822 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.891 -12.398 7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.278 -14.094 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 127 5.992 -13.845 11.256 1.00 0.00 H new ATOM 2073 N THR A 128 6.352 -7.240 9.679 1.00 0.00 N ATOM 2074 CA THR A 128 6.856 -5.895 9.431 1.00 0.00 C ATOM 2075 C THR A 128 8.184 -5.935 8.684 1.00 0.00 C ATOM 2076 O THR A 128 8.910 -6.928 8.740 1.00 0.00 O ATOM 2077 CB THR A 128 7.042 -5.114 10.745 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.002 -5.454 11.669 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.029 -3.614 10.490 1.00 0.00 C ATOM 0 H THR A 128 6.658 -7.648 10.562 1.00 0.00 H new ATOM 0 HA THR A 128 6.112 -5.387 8.817 1.00 0.00 H new ATOM 0 HB THR A 128 8.008 -5.386 11.169 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.129 -4.954 12.502 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.162 -3.083 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.840 -3.354 9.810 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.076 -3.329 10.045 1.00 0.00 H new ATOM 2087 N PHE A 129 8.497 -4.849 7.985 1.00 0.00 N ATOM 2088 CA PHE A 129 9.739 -4.760 7.226 1.00 0.00 C ATOM 2089 C PHE A 129 10.327 -3.354 7.308 1.00 0.00 C ATOM 2090 O PHE A 129 9.601 -2.362 7.240 1.00 0.00 O ATOM 2091 CB PHE A 129 9.496 -5.139 5.764 1.00 0.00 C ATOM 2092 CG PHE A 129 9.067 -6.566 5.578 1.00 0.00 C ATOM 2093 CD1 PHE A 129 7.739 -6.930 5.731 1.00 0.00 C ATOM 2094 CD2 PHE A 129 9.993 -7.544 5.251 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.341 -8.242 5.560 1.00 0.00 C ATOM 2096 CE2 PHE A 129 9.600 -8.858 5.079 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.273 -9.208 5.235 1.00 0.00 C ATOM 0 H PHE A 129 7.908 -4.018 7.928 1.00 0.00 H new ATOM 0 HA PHE A 129 10.453 -5.459 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.732 -4.481 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.410 -4.966 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.006 -6.179 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.032 -7.277 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.302 -8.512 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.331 -9.611 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 129 7.965 -10.235 5.103 1.00 0.00 H new ATOM 2107 N TRP A 130 11.645 -3.278 7.455 1.00 0.00 N ATOM 2108 CA TRP A 130 12.331 -1.994 7.547 1.00 0.00 C ATOM 2109 C TRP A 130 13.360 -1.846 6.432 1.00 0.00 C ATOM 2110 O TRP A 130 14.449 -2.415 6.499 1.00 0.00 O ATOM 2111 CB TRP A 130 13.012 -1.853 8.909 1.00 0.00 C ATOM 2112 CG TRP A 130 12.078 -1.422 9.999 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.458 -2.225 10.913 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.656 -0.084 10.286 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.677 -1.468 11.751 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.781 -0.151 11.388 1.00 0.00 C ATOM 2117 CE3 TRP A 130 11.933 1.164 9.721 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.183 0.982 11.933 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.338 2.287 10.263 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.472 2.191 11.360 1.00 0.00 C ATOM 0 H TRP A 130 12.260 -4.090 7.513 1.00 0.00 H new ATOM 0 HA TRP A 130 11.588 -1.204 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.462 -2.807 9.182 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.823 -1.129 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.566 -3.298 10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.111 -1.828 12.519 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.600 1.249 8.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.515 0.910 12.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.544 3.256 9.833 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.024 3.088 11.761 1.00 0.00 H new ATOM 2131 N LYS A 131 13.008 -1.078 5.406 1.00 0.00 N ATOM 2132 CA LYS A 131 13.902 -0.853 4.277 1.00 0.00 C ATOM 2133 C LYS A 131 14.094 0.639 4.023 1.00 0.00 C ATOM 2134 O LYS A 131 13.229 1.451 4.354 1.00 0.00 O ATOM 2135 CB LYS A 131 13.349 -1.528 3.020 1.00 0.00 C ATOM 2136 CG LYS A 131 12.895 -2.960 3.248 1.00 0.00 C ATOM 2137 CD LYS A 131 14.025 -3.947 3.008 1.00 0.00 C ATOM 2138 CE LYS A 131 13.493 -5.344 2.723 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.455 -6.400 3.144 1.00 0.00 N ATOM 0 H LYS A 131 12.109 -0.601 5.334 1.00 0.00 H new ATOM 0 HA LYS A 131 14.871 -1.289 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.508 -0.945 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.116 -1.518 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.527 -3.068 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.063 -3.189 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.632 -3.609 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.676 -3.976 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.547 -5.486 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.287 -5.444 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.056 -7.337 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.350 -6.280 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.632 -6.321 4.166 1.00 0.00 H new ATOM 2153 N ASP A 132 15.230 0.993 3.432 1.00 0.00 N ATOM 2154 CA ASP A 132 15.533 2.387 3.131 1.00 0.00 C ATOM 2155 C ASP A 132 15.000 2.775 1.755 1.00 0.00 C ATOM 2156 O ASP A 132 15.428 2.231 0.736 1.00 0.00 O ATOM 2157 CB ASP A 132 17.042 2.628 3.193 1.00 0.00 C ATOM 2158 CG ASP A 132 17.492 3.731 2.256 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.804 3.425 1.086 1.00 0.00 O ATOM 2160 OD2 ASP A 132 17.532 4.901 2.692 1.00 0.00 O ATOM 0 H ASP A 132 15.956 0.334 3.152 1.00 0.00 H new ATOM 0 HA ASP A 132 15.042 3.009 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.324 2.885 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.565 1.705 2.941 1.00 0.00 H new ATOM 2165 N LEU A 133 14.063 3.716 1.733 1.00 0.00 N ATOM 2166 CA LEU A 133 13.470 4.176 0.482 1.00 0.00 C ATOM 2167 C LEU A 133 14.541 4.384 -0.584 1.00 0.00 C ATOM 2168 O LEU A 133 15.294 5.357 -0.542 1.00 0.00 O ATOM 2169 CB LEU A 133 12.700 5.478 0.709 1.00 0.00 C ATOM 2170 CG LEU A 133 11.561 5.416 1.727 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.243 6.805 2.258 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.324 4.784 1.106 1.00 0.00 C ATOM 0 H LEU A 133 13.697 4.176 2.567 1.00 0.00 H new ATOM 0 HA LEU A 133 12.779 3.409 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.407 6.243 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.289 5.805 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 133 11.881 4.794 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.430 6.741 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 133 12.127 7.221 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.944 7.451 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.524 4.748 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.002 5.378 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.559 3.772 0.776 1.00 0.00 H new ATOM 2184 N LYS A 134 14.602 3.464 -1.541 1.00 0.00 N ATOM 2185 CA LYS A 134 15.578 3.547 -2.621 1.00 0.00 C ATOM 2186 C LYS A 134 15.368 4.812 -3.448 1.00 0.00 C ATOM 2187 O LYS A 134 14.278 5.382 -3.488 1.00 0.00 O ATOM 2188 CB LYS A 134 15.478 2.315 -3.522 1.00 0.00 C ATOM 2189 CG LYS A 134 16.103 1.068 -2.919 1.00 0.00 C ATOM 2190 CD LYS A 134 17.620 1.125 -2.971 1.00 0.00 C ATOM 2191 CE LYS A 134 18.139 0.896 -4.382 1.00 0.00 C ATOM 2192 NZ LYS A 134 17.778 -0.455 -4.893 1.00 0.00 N ATOM 0 H LYS A 134 13.987 2.652 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 134 16.572 3.585 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.428 2.117 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.964 2.531 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.777 0.960 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.752 0.187 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.961 2.095 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 134 18.036 0.372 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 134 17.731 1.657 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 134 19.223 1.011 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 18.408 -0.708 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 17.881 -1.154 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 16.793 -0.448 -5.226 1.00 0.00 H new ATOM 2206 N PRO A 135 16.436 5.262 -4.124 1.00 0.00 N ATOM 2207 CA PRO A 135 16.392 6.463 -4.963 1.00 0.00 C ATOM 2208 C PRO A 135 15.557 6.260 -6.223 1.00 0.00 C ATOM 2209 O PRO A 135 15.968 5.555 -7.144 1.00 0.00 O ATOM 2210 CB PRO A 135 17.861 6.695 -5.327 1.00 0.00 C ATOM 2211 CG PRO A 135 18.493 5.349 -5.226 1.00 0.00 C ATOM 2212 CD PRO A 135 17.767 4.633 -4.121 1.00 0.00 C ATOM 0 HA PRO A 135 15.928 7.304 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.960 7.104 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.330 7.405 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.406 4.805 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.557 5.433 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.705 3.561 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.269 4.760 -3.162 1.00 0.00 H new ATOM 2220 N SER A 136 14.384 6.883 -6.256 1.00 0.00 N ATOM 2221 CA SER A 136 13.489 6.768 -7.402 1.00 0.00 C ATOM 2222 C SER A 136 13.603 7.992 -8.305 1.00 0.00 C ATOM 2223 O SER A 136 13.604 9.128 -7.833 1.00 0.00 O ATOM 2224 CB SER A 136 12.043 6.600 -6.932 1.00 0.00 C ATOM 2225 OG SER A 136 11.256 5.963 -7.923 1.00 0.00 O ATOM 0 H SER A 136 14.031 7.473 -5.503 1.00 0.00 H new ATOM 0 HA SER A 136 13.782 5.888 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.022 6.013 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.618 7.576 -6.697 1.00 0.00 H new ATOM 0 HG SER A 136 10.337 5.866 -7.598 1.00 0.00 H new