USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 Single : A 10 THR OG1 : rot 31:sc= 0.25 USER MOD Single : A 14 GLN :FLIP amide:sc= -3.18! C(o=-6.3!,f=-3.2!) USER MOD Single : A 19 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= -0.195 (180deg=-1.29) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 26 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.689 K(o=0.69,f=-0.19) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 161:sc= -1.54 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.372 F(o=-5.2!,f=-0.37) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 154:sc= -4.11! (180deg=-6.14!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0424 F(o=-1.4!,f=-0.042) USER MOD Single : A 81 ASN : amide:sc= -6.19! C(o=-6.2!,f=-13!) USER MOD Single : A 85 MET CE :methyl -131:sc= -3.49! (180deg=-6.93!) USER MOD Single : A 86 THR OG1 : rot -93:sc= 0.441 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 90 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-4.1!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.13) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 170:sc= -1.18 USER MOD Single : A 110 THR OG1 : rot -113:sc= 0.16 USER MOD Single : A 112 GLN : amide:sc= -3.25! C(o=-3.2!,f=-14!) USER MOD Single : A 113 SER OG : rot -40:sc= 0.987 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -14.912 6.698 4.124 1.00 1.00 N ATOM 140 CA THR A 10 -14.366 6.036 5.269 1.00 1.07 C ATOM 141 C THR A 10 -14.059 4.602 4.902 1.00 0.92 C ATOM 142 O THR A 10 -14.833 3.678 5.146 1.00 0.99 O ATOM 143 CB THR A 10 -15.355 6.092 6.423 1.00 1.30 C ATOM 144 OG1 THR A 10 -15.795 7.448 6.608 1.00 2.09 O ATOM 145 CG2 THR A 10 -14.747 5.572 7.718 1.00 1.90 C ATOM 0 HA THR A 10 -13.448 6.533 5.584 1.00 1.07 H new ATOM 0 HB THR A 10 -16.200 5.450 6.172 1.00 1.30 H new ATOM 0 HG1 THR A 10 -15.798 7.911 5.745 1.00 2.09 H new ATOM 0 HG21 THR A 10 -15.487 5.630 8.516 1.00 1.90 H new ATOM 0 HG22 THR A 10 -14.438 4.535 7.584 1.00 1.90 H new ATOM 0 HG23 THR A 10 -13.880 6.178 7.982 1.00 1.90 H new ATOM 153 N ALA A 11 -12.937 4.470 4.246 1.00 0.83 N ATOM 154 CA ALA A 11 -12.397 3.191 3.849 1.00 0.74 C ATOM 155 C ALA A 11 -11.998 2.350 5.053 1.00 0.77 C ATOM 156 O ALA A 11 -12.006 2.811 6.196 1.00 0.96 O ATOM 157 CB ALA A 11 -11.204 3.402 2.932 1.00 0.70 C ATOM 0 H ALA A 11 -12.359 5.262 3.966 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.175 2.646 3.315 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.799 2.435 2.634 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.519 3.952 2.045 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.437 3.971 3.458 1.00 0.70 H new ATOM 163 N VAL A 12 -11.612 1.125 4.769 1.00 0.65 N ATOM 164 CA VAL A 12 -11.281 0.152 5.799 1.00 0.72 C ATOM 165 C VAL A 12 -9.781 -0.090 5.824 1.00 0.54 C ATOM 166 O VAL A 12 -9.201 -0.521 4.833 1.00 0.54 O ATOM 167 CB VAL A 12 -12.010 -1.189 5.567 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.672 -2.186 6.665 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.514 -0.976 5.481 1.00 1.38 C ATOM 0 H VAL A 12 -11.517 0.771 3.817 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.608 0.560 6.755 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.668 -1.600 4.617 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.197 -3.123 6.480 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -10.597 -2.368 6.673 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.979 -1.782 7.630 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -14.008 -1.934 5.317 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.873 -0.537 6.412 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.740 -0.305 4.652 1.00 1.38 H new ATOM 179 N VAL A 13 -9.150 0.184 6.949 1.00 0.52 N ATOM 180 CA VAL A 13 -7.707 0.076 7.035 1.00 0.44 C ATOM 181 C VAL A 13 -7.260 -1.377 7.135 1.00 0.41 C ATOM 182 O VAL A 13 -7.437 -2.046 8.153 1.00 0.50 O ATOM 183 CB VAL A 13 -7.149 0.895 8.206 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.650 0.695 8.354 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.476 2.369 8.010 1.00 1.02 C ATOM 0 H VAL A 13 -9.609 0.481 7.810 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.301 0.490 6.112 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.621 0.545 9.124 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.285 1.288 9.192 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.440 -0.359 8.537 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.149 1.012 7.439 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.077 2.944 8.845 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.028 2.720 7.080 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.557 2.499 7.964 1.00 1.02 H new ATOM 195 N GLN A 14 -6.711 -1.838 6.030 1.00 0.37 N ATOM 196 CA GLN A 14 -6.156 -3.168 5.884 1.00 0.40 C ATOM 197 C GLN A 14 -4.634 -3.134 6.012 1.00 0.32 C ATOM 198 O GLN A 14 -3.991 -2.250 5.485 1.00 0.41 O ATOM 199 CB GLN A 14 -6.575 -3.678 4.511 1.00 0.51 C ATOM 200 CG GLN A 14 -5.768 -4.837 3.995 1.00 0.53 C ATOM 201 CD GLN A 14 -4.906 -4.466 2.819 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.680 -4.079 3.096 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -5.337 -4.539 1.672 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.636 -1.278 5.180 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.525 -3.830 6.667 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -7.623 -3.974 4.553 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -6.504 -2.857 3.797 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -5.137 -5.220 4.797 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -6.442 -5.644 3.706 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -6.296 -4.845 1.506 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.736 -4.294 0.885 1.00 0.55 H new ATOM 212 N ARG A 15 -4.037 -4.083 6.707 1.00 0.32 N ATOM 213 CA ARG A 15 -2.613 -4.073 6.881 1.00 0.39 C ATOM 214 C ARG A 15 -2.023 -5.393 6.404 1.00 0.33 C ATOM 215 O ARG A 15 -2.385 -6.451 6.916 1.00 0.55 O ATOM 216 CB ARG A 15 -2.294 -3.831 8.359 1.00 0.70 C ATOM 217 CG ARG A 15 -0.898 -3.305 8.577 1.00 0.75 C ATOM 218 CD ARG A 15 0.136 -4.417 8.619 1.00 1.44 C ATOM 219 NE ARG A 15 0.157 -5.103 9.915 1.00 2.26 N ATOM 220 CZ ARG A 15 0.330 -6.419 10.074 1.00 2.85 C ATOM 221 NH1 ARG A 15 0.436 -7.219 9.019 1.00 2.98 N ATOM 222 NH2 ARG A 15 0.387 -6.935 11.294 1.00 3.63 N ATOM 0 H ARG A 15 -4.520 -4.862 7.154 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.170 -3.273 6.288 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.013 -3.122 8.770 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.416 -4.764 8.910 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -0.646 -2.607 7.778 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -0.865 -2.745 9.512 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.077 -5.139 7.831 1.00 1.44 H new ATOM 0 HD3 ARG A 15 1.123 -4.002 8.413 1.00 1.44 H new ATOM 0 HE ARG A 15 0.031 -4.536 10.754 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.386 -6.830 8.077 1.00 2.98 H new ATOM 0 HH12 ARG A 15 0.568 -8.222 9.151 1.00 2.98 H new ATOM 0 HH21 ARG A 15 0.299 -6.328 12.109 1.00 3.63 H new ATOM 0 HH22 ARG A 15 0.519 -7.939 11.417 1.00 3.63 H new ATOM 236 N VAL A 16 -1.116 -5.351 5.432 1.00 0.25 N ATOM 237 CA VAL A 16 -0.489 -6.583 4.980 1.00 0.30 C ATOM 238 C VAL A 16 0.987 -6.579 5.331 1.00 0.26 C ATOM 239 O VAL A 16 1.594 -5.525 5.532 1.00 0.40 O ATOM 240 CB VAL A 16 -0.672 -6.896 3.461 1.00 0.51 C ATOM 241 CG1 VAL A 16 -2.117 -6.728 3.044 1.00 1.02 C ATOM 242 CG2 VAL A 16 0.251 -6.076 2.559 1.00 0.64 C ATOM 0 H VAL A 16 -0.807 -4.503 4.956 1.00 0.25 H new ATOM 0 HA VAL A 16 -1.011 -7.381 5.509 1.00 0.30 H new ATOM 0 HB VAL A 16 -0.384 -7.939 3.329 1.00 0.51 H new ATOM 0 HG11 VAL A 16 -2.218 -6.952 1.982 1.00 1.02 H new ATOM 0 HG12 VAL A 16 -2.743 -7.410 3.619 1.00 1.02 H new ATOM 0 HG13 VAL A 16 -2.432 -5.701 3.230 1.00 1.02 H new ATOM 0 HG21 VAL A 16 0.072 -6.342 1.517 1.00 0.64 H new ATOM 0 HG22 VAL A 16 0.050 -5.014 2.702 1.00 0.64 H new ATOM 0 HG23 VAL A 16 1.290 -6.286 2.814 1.00 0.64 H new ATOM 252 N GLU A 17 1.540 -7.761 5.441 1.00 0.22 N ATOM 253 CA GLU A 17 2.926 -7.937 5.810 1.00 0.25 C ATOM 254 C GLU A 17 3.490 -9.126 5.066 1.00 0.24 C ATOM 255 O GLU A 17 2.904 -10.211 5.111 1.00 0.28 O ATOM 256 CB GLU A 17 3.032 -8.157 7.318 1.00 0.33 C ATOM 257 CG GLU A 17 4.396 -8.625 7.787 1.00 0.44 C ATOM 258 CD GLU A 17 4.413 -8.932 9.268 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.986 -10.043 9.651 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.845 -8.067 10.050 1.00 1.31 O ATOM 0 H GLU A 17 1.040 -8.635 5.276 1.00 0.22 H new ATOM 0 HA GLU A 17 3.495 -7.046 5.546 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.786 -7.225 7.827 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.285 -8.892 7.619 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.685 -9.516 7.229 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.138 -7.857 7.568 1.00 0.44 H new ATOM 267 N ILE A 18 4.600 -8.944 4.368 1.00 0.24 N ATOM 268 CA ILE A 18 5.186 -10.048 3.662 1.00 0.24 C ATOM 269 C ILE A 18 6.692 -9.912 3.669 1.00 0.27 C ATOM 270 O ILE A 18 7.234 -8.804 3.616 1.00 0.33 O ATOM 271 CB ILE A 18 4.636 -10.178 2.222 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.802 -11.618 1.735 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.313 -9.201 1.270 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.998 -12.620 2.534 1.00 0.61 C ATOM 0 H ILE A 18 5.097 -8.058 4.282 1.00 0.24 H new ATOM 0 HA ILE A 18 4.910 -10.968 4.178 1.00 0.24 H new ATOM 0 HB ILE A 18 3.576 -9.926 2.237 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.504 -11.676 0.688 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.857 -11.890 1.781 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.900 -9.323 0.269 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.140 -8.181 1.612 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.385 -9.399 1.247 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.163 -13.621 2.134 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.312 -12.590 3.577 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.939 -12.373 2.467 1.00 0.61 H new ATOM 286 N HIS A 19 7.364 -11.032 3.776 1.00 0.30 N ATOM 287 CA HIS A 19 8.802 -11.035 3.867 1.00 0.33 C ATOM 288 C HIS A 19 9.397 -10.686 2.509 1.00 0.35 C ATOM 289 O HIS A 19 9.225 -11.432 1.547 1.00 0.40 O ATOM 290 CB HIS A 19 9.288 -12.394 4.365 1.00 0.39 C ATOM 291 CG HIS A 19 8.891 -12.694 5.785 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.773 -13.164 6.729 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.697 -12.575 6.421 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.145 -13.321 7.879 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.883 -12.968 7.722 1.00 0.56 N ATOM 0 H HIS A 19 6.935 -11.957 3.802 1.00 0.30 H new ATOM 0 HA HIS A 19 9.132 -10.283 4.584 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.892 -13.173 3.714 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.374 -12.434 4.284 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.771 -12.234 5.983 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.590 -13.679 8.796 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.166 -12.985 8.447 1.00 0.56 H new ATOM 304 N LYS A 20 10.025 -9.505 2.446 1.00 0.34 N ATOM 305 CA LYS A 20 10.689 -8.992 1.228 1.00 0.36 C ATOM 306 C LYS A 20 11.273 -10.097 0.345 1.00 0.36 C ATOM 307 O LYS A 20 11.936 -11.007 0.836 1.00 0.42 O ATOM 308 CB LYS A 20 11.814 -8.027 1.606 1.00 0.40 C ATOM 309 CG LYS A 20 11.439 -6.553 1.537 1.00 1.42 C ATOM 310 CD LYS A 20 11.250 -6.045 0.107 1.00 2.33 C ATOM 311 CE LYS A 20 9.993 -6.593 -0.546 1.00 3.13 C ATOM 312 NZ LYS A 20 8.760 -6.202 0.191 1.00 4.00 N ATOM 0 H LYS A 20 10.090 -8.870 3.241 1.00 0.34 H new ATOM 0 HA LYS A 20 9.914 -8.484 0.655 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.146 -8.256 2.619 1.00 0.40 H new ATOM 0 HB3 LYS A 20 12.663 -8.203 0.945 1.00 0.40 H new ATOM 0 HG2 LYS A 20 10.518 -6.393 2.097 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.216 -5.964 2.025 1.00 1.42 H new ATOM 0 HD2 LYS A 20 11.206 -4.956 0.115 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.117 -6.324 -0.491 1.00 2.33 H new ATOM 0 HE2 LYS A 20 9.931 -6.231 -1.572 1.00 3.13 H new ATOM 0 HE3 LYS A 20 10.056 -7.680 -0.595 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 7.995 -6.012 -0.488 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 8.475 -6.975 0.826 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 8.947 -5.346 0.751 1.00 4.00 H new ATOM 326 N LEU A 21 11.058 -9.992 -0.964 1.00 0.33 N ATOM 327 CA LEU A 21 11.479 -11.040 -1.879 1.00 0.37 C ATOM 328 C LEU A 21 12.775 -10.654 -2.570 1.00 0.41 C ATOM 329 O LEU A 21 12.780 -9.892 -3.532 1.00 0.45 O ATOM 330 CB LEU A 21 10.375 -11.315 -2.910 1.00 0.38 C ATOM 331 CG LEU A 21 10.651 -12.467 -3.876 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.746 -13.783 -3.121 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.565 -12.540 -4.940 1.00 0.48 C ATOM 0 H LEU A 21 10.598 -9.197 -1.409 1.00 0.33 H new ATOM 0 HA LEU A 21 11.657 -11.952 -1.309 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.448 -11.525 -2.377 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.210 -10.408 -3.491 1.00 0.38 H new ATOM 0 HG LEU A 21 11.606 -12.283 -4.369 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.943 -14.592 -3.824 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.557 -13.728 -2.395 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.807 -13.973 -2.602 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.776 -13.365 -5.620 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.598 -12.701 -4.463 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.541 -11.605 -5.500 1.00 0.48 H new ATOM 345 N ARG A 22 13.874 -11.172 -2.054 1.00 0.51 N ATOM 346 CA ARG A 22 15.183 -10.891 -2.612 1.00 0.61 C ATOM 347 C ARG A 22 15.369 -11.589 -3.959 1.00 0.60 C ATOM 348 O ARG A 22 14.890 -12.703 -4.174 1.00 0.66 O ATOM 349 CB ARG A 22 16.282 -11.299 -1.628 1.00 0.88 C ATOM 350 CG ARG A 22 16.285 -12.776 -1.257 1.00 1.19 C ATOM 351 CD ARG A 22 17.597 -13.189 -0.594 1.00 1.94 C ATOM 352 NE ARG A 22 18.006 -12.261 0.464 1.00 2.47 N ATOM 353 CZ ARG A 22 18.609 -12.625 1.600 1.00 3.28 C ATOM 354 NH1 ARG A 22 18.881 -13.905 1.846 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.963 -11.697 2.479 1.00 3.97 N ATOM 0 H ARG A 22 13.885 -11.793 -1.245 1.00 0.51 H new ATOM 0 HA ARG A 22 15.256 -9.817 -2.783 1.00 0.61 H new ATOM 0 HB2 ARG A 22 17.250 -11.044 -2.059 1.00 0.88 H new ATOM 0 HB3 ARG A 22 16.173 -10.709 -0.718 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.455 -12.983 -0.582 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.125 -13.377 -2.152 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.489 -14.189 -0.174 1.00 1.94 H new ATOM 0 HD3 ARG A 22 18.381 -13.243 -1.349 1.00 1.94 H new ATOM 0 HE ARG A 22 17.817 -11.268 0.324 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.629 -14.620 1.164 1.00 3.78 H new ATOM 0 HH12 ARG A 22 19.342 -14.170 2.717 1.00 3.78 H new ATOM 0 HH21 ARG A 22 18.775 -10.713 2.286 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.424 -11.967 3.348 1.00 3.97 H new ATOM 369 N GLN A 23 16.039 -10.903 -4.868 1.00 0.68 N ATOM 370 CA GLN A 23 16.310 -11.408 -6.195 1.00 0.81 C ATOM 371 C GLN A 23 17.757 -11.134 -6.552 1.00 0.93 C ATOM 372 O GLN A 23 18.073 -10.047 -7.023 1.00 1.02 O ATOM 373 CB GLN A 23 15.434 -10.685 -7.207 1.00 0.90 C ATOM 374 CG GLN A 23 15.015 -11.545 -8.377 1.00 1.04 C ATOM 375 CD GLN A 23 13.751 -12.353 -8.113 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.505 -12.708 -6.860 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 12.995 -12.649 -9.038 1.00 0.69 N flip ATOM 0 H GLN A 23 16.413 -9.969 -4.700 1.00 0.68 H new ATOM 0 HA GLN A 23 16.106 -12.479 -6.213 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.542 -10.315 -6.702 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.972 -9.814 -7.582 1.00 0.90 H new ATOM 0 HG2 GLN A 23 14.855 -10.908 -9.247 1.00 1.04 H new ATOM 0 HG3 GLN A 23 15.828 -12.227 -8.626 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.216 -12.359 -9.990 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.147 -13.185 -8.852 1.00 0.69 H new ATOM 386 N GLY A 24 18.628 -12.097 -6.333 1.00 1.03 N ATOM 387 CA GLY A 24 20.034 -11.883 -6.591 1.00 1.19 C ATOM 388 C GLY A 24 20.629 -10.839 -5.674 1.00 1.23 C ATOM 389 O GLY A 24 21.236 -11.167 -4.659 1.00 1.33 O ATOM 0 H GLY A 24 18.390 -13.024 -5.981 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.572 -12.823 -6.467 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.169 -11.573 -7.627 1.00 1.19 H new ATOM 393 N GLU A 25 20.437 -9.575 -6.027 1.00 1.27 N ATOM 394 CA GLU A 25 20.974 -8.473 -5.242 1.00 1.43 C ATOM 395 C GLU A 25 19.960 -7.338 -5.110 1.00 1.40 C ATOM 396 O GLU A 25 20.289 -6.243 -4.656 1.00 1.61 O ATOM 397 CB GLU A 25 22.276 -7.967 -5.870 1.00 1.67 C ATOM 398 CG GLU A 25 23.355 -9.038 -5.948 1.00 1.84 C ATOM 399 CD GLU A 25 24.634 -8.543 -6.583 1.00 2.03 C ATOM 400 OE1 GLU A 25 25.454 -7.922 -5.873 1.00 2.33 O ATOM 401 OE2 GLU A 25 24.831 -8.775 -7.796 1.00 2.21 O ATOM 0 H GLU A 25 19.912 -9.288 -6.853 1.00 1.27 H new ATOM 0 HA GLU A 25 21.186 -8.841 -4.238 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.068 -7.595 -6.873 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.650 -7.124 -5.288 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.572 -9.401 -4.943 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.977 -9.886 -6.519 1.00 1.84 H new ATOM 408 N ASN A 26 18.722 -7.617 -5.488 1.00 1.21 N ATOM 409 CA ASN A 26 17.650 -6.626 -5.398 1.00 1.23 C ATOM 410 C ASN A 26 16.458 -7.189 -4.632 1.00 1.05 C ATOM 411 O ASN A 26 16.424 -8.373 -4.317 1.00 1.06 O ATOM 412 CB ASN A 26 17.224 -6.152 -6.795 1.00 1.31 C ATOM 413 CG ASN A 26 17.080 -7.283 -7.788 1.00 1.39 C ATOM 414 OD1 ASN A 26 15.988 -7.801 -8.003 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.185 -7.675 -8.397 1.00 1.33 N ATOM 0 H ASN A 26 18.430 -8.521 -5.861 1.00 1.21 H new ATOM 0 HA ASN A 26 18.031 -5.764 -4.850 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.275 -5.621 -6.718 1.00 1.31 H new ATOM 0 HB3 ASN A 26 17.959 -5.439 -7.170 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.151 -8.436 -9.076 1.00 1.33 H new ATOM 0 HD22 ASN A 26 19.072 -7.217 -8.189 1.00 1.33 H new ATOM 422 N LEU A 27 15.488 -6.335 -4.318 1.00 0.95 N ATOM 423 CA LEU A 27 14.323 -6.738 -3.546 1.00 0.82 C ATOM 424 C LEU A 27 13.051 -6.465 -4.319 1.00 0.71 C ATOM 425 O LEU A 27 12.794 -5.338 -4.737 1.00 0.81 O ATOM 426 CB LEU A 27 14.273 -6.004 -2.204 1.00 0.93 C ATOM 427 CG LEU A 27 14.999 -6.692 -1.053 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.494 -6.802 -1.323 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.747 -5.945 0.242 1.00 1.62 C ATOM 0 H LEU A 27 15.489 -5.352 -4.590 1.00 0.95 H new ATOM 0 HA LEU A 27 14.406 -7.808 -3.358 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.699 -5.010 -2.337 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.229 -5.868 -1.923 1.00 0.93 H new ATOM 0 HG LEU A 27 14.605 -7.704 -0.963 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.980 -7.297 -0.482 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.658 -7.383 -2.231 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.915 -5.805 -1.449 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.270 -6.444 1.058 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.112 -4.922 0.149 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.677 -5.931 0.452 1.00 1.62 H new ATOM 441 N ILE A 28 12.259 -7.500 -4.510 1.00 0.57 N ATOM 442 CA ILE A 28 11.002 -7.364 -5.210 1.00 0.52 C ATOM 443 C ILE A 28 9.859 -7.264 -4.212 1.00 0.44 C ATOM 444 O ILE A 28 9.813 -7.993 -3.214 1.00 0.43 O ATOM 445 CB ILE A 28 10.771 -8.525 -6.219 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.441 -8.199 -7.564 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.284 -8.804 -6.425 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.931 -7.941 -7.473 1.00 0.80 C ATOM 0 H ILE A 28 12.466 -8.446 -4.189 1.00 0.57 H new ATOM 0 HA ILE A 28 11.038 -6.444 -5.794 1.00 0.52 H new ATOM 0 HB ILE A 28 11.223 -9.424 -5.800 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.269 -9.027 -8.252 1.00 0.75 H new ATOM 0 HG13 ILE A 28 10.958 -7.321 -7.994 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.162 -9.621 -7.136 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.830 -9.081 -5.473 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.796 -7.910 -6.813 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.323 -7.719 -8.466 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.114 -7.093 -6.813 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.430 -8.825 -7.075 1.00 0.80 H new ATOM 460 N LEU A 29 8.961 -6.331 -4.472 1.00 0.51 N ATOM 461 CA LEU A 29 7.879 -6.025 -3.551 1.00 0.55 C ATOM 462 C LEU A 29 6.692 -6.930 -3.800 1.00 0.73 C ATOM 463 O LEU A 29 5.990 -7.329 -2.870 1.00 1.74 O ATOM 464 CB LEU A 29 7.442 -4.573 -3.737 1.00 0.71 C ATOM 465 CG LEU A 29 8.579 -3.587 -3.977 1.00 0.74 C ATOM 466 CD1 LEU A 29 8.052 -2.168 -4.105 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.618 -3.681 -2.868 1.00 1.33 C ATOM 0 H LEU A 29 8.960 -5.767 -5.322 1.00 0.51 H new ATOM 0 HA LEU A 29 8.239 -6.182 -2.534 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.752 -4.521 -4.579 1.00 0.71 H new ATOM 0 HB3 LEU A 29 6.889 -4.259 -2.852 1.00 0.71 H new ATOM 0 HG LEU A 29 9.061 -3.852 -4.918 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.884 -1.485 -4.276 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.358 -2.112 -4.944 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.535 -1.888 -3.187 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.420 -2.969 -3.060 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.150 -3.452 -1.911 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.028 -4.690 -2.839 1.00 1.33 H new ATOM 479 N GLY A 30 6.483 -7.252 -5.062 1.00 0.40 N ATOM 480 CA GLY A 30 5.305 -7.980 -5.446 1.00 0.32 C ATOM 481 C GLY A 30 4.176 -7.040 -5.783 1.00 0.35 C ATOM 482 O GLY A 30 3.033 -7.461 -5.915 1.00 0.69 O ATOM 0 H GLY A 30 7.113 -7.020 -5.829 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.527 -8.611 -6.307 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.002 -8.642 -4.635 1.00 0.32 H new ATOM 486 N PHE A 31 4.499 -5.755 -5.885 1.00 0.29 N ATOM 487 CA PHE A 31 3.531 -4.738 -6.251 1.00 0.28 C ATOM 488 C PHE A 31 4.225 -3.518 -6.837 1.00 0.31 C ATOM 489 O PHE A 31 5.420 -3.319 -6.628 1.00 0.42 O ATOM 490 CB PHE A 31 2.695 -4.328 -5.033 1.00 0.28 C ATOM 491 CG PHE A 31 3.501 -3.934 -3.818 1.00 0.32 C ATOM 492 CD1 PHE A 31 4.064 -2.671 -3.728 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.698 -4.822 -2.772 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.809 -2.302 -2.626 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.442 -4.458 -1.666 1.00 0.42 C ATOM 496 CZ PHE A 31 4.972 -3.219 -1.569 1.00 0.51 C ATOM 0 H PHE A 31 5.438 -5.394 -5.716 1.00 0.29 H new ATOM 0 HA PHE A 31 2.870 -5.160 -7.008 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.054 -3.492 -5.314 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.039 -5.156 -4.764 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.918 -1.965 -4.532 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.265 -5.810 -2.822 1.00 0.33 H new ATOM 0 HE1 PHE A 31 5.261 -1.323 -2.575 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.602 -5.171 -0.871 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.519 -2.932 -0.683 1.00 0.51 H new ATOM 506 N SER A 32 3.471 -2.708 -7.567 1.00 0.25 N ATOM 507 CA SER A 32 3.962 -1.419 -8.015 1.00 0.23 C ATOM 508 C SER A 32 3.320 -0.355 -7.152 1.00 0.23 C ATOM 509 O SER A 32 2.291 -0.608 -6.540 1.00 0.29 O ATOM 510 CB SER A 32 3.641 -1.182 -9.488 1.00 0.25 C ATOM 511 OG SER A 32 4.274 -0.012 -9.971 1.00 0.53 O ATOM 0 H SER A 32 2.518 -2.923 -7.860 1.00 0.25 H new ATOM 0 HA SER A 32 5.047 -1.385 -7.919 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.964 -2.041 -10.075 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.562 -1.094 -9.618 1.00 0.25 H new ATOM 0 HG SER A 32 4.052 0.113 -10.917 1.00 0.53 H new ATOM 517 N ILE A 33 3.892 0.828 -7.111 1.00 0.23 N ATOM 518 CA ILE A 33 3.520 1.785 -6.085 1.00 0.25 C ATOM 519 C ILE A 33 3.915 3.205 -6.443 1.00 0.25 C ATOM 520 O ILE A 33 5.000 3.436 -6.976 1.00 0.32 O ATOM 521 CB ILE A 33 4.213 1.397 -4.756 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.215 2.569 -3.760 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.624 0.919 -5.036 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.269 2.456 -2.674 1.00 0.37 C ATOM 0 H ILE A 33 4.606 1.150 -7.764 1.00 0.23 H new ATOM 0 HA ILE A 33 2.435 1.755 -5.990 1.00 0.25 H new ATOM 0 HB ILE A 33 3.649 0.586 -4.296 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.372 3.498 -4.308 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.233 2.637 -3.293 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.109 0.647 -4.098 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.590 0.050 -5.693 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.189 1.716 -5.519 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.205 3.320 -2.013 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.102 1.546 -2.098 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.259 2.420 -3.130 1.00 0.37 H new ATOM 536 N GLY A 34 3.031 4.146 -6.154 1.00 0.26 N ATOM 537 CA GLY A 34 3.453 5.510 -5.975 1.00 0.43 C ATOM 538 C GLY A 34 2.667 6.162 -4.872 1.00 0.30 C ATOM 539 O GLY A 34 1.445 6.228 -4.906 1.00 0.72 O ATOM 0 H GLY A 34 2.030 3.986 -6.041 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.517 5.540 -5.739 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.317 6.064 -6.904 1.00 0.43 H new ATOM 543 N GLY A 35 3.368 6.560 -3.850 1.00 0.77 N ATOM 544 CA GLY A 35 2.776 7.352 -2.806 1.00 0.93 C ATOM 545 C GLY A 35 3.703 8.420 -2.338 1.00 0.73 C ATOM 546 O GLY A 35 4.770 8.100 -1.847 1.00 1.42 O ATOM 0 H GLY A 35 4.357 6.348 -3.715 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.853 7.804 -3.170 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.508 6.709 -1.968 1.00 0.93 H new ATOM 550 N GLY A 36 3.359 9.664 -2.491 1.00 0.40 N ATOM 551 CA GLY A 36 4.224 10.678 -1.954 1.00 0.39 C ATOM 552 C GLY A 36 3.564 12.028 -1.882 1.00 0.35 C ATOM 553 O GLY A 36 2.785 12.380 -2.764 1.00 0.48 O ATOM 0 H GLY A 36 2.519 9.996 -2.964 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.547 10.383 -0.956 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.120 10.749 -2.571 1.00 0.39 H new ATOM 557 N ILE A 37 3.876 12.802 -0.853 1.00 0.37 N ATOM 558 CA ILE A 37 3.787 14.249 -0.978 1.00 0.41 C ATOM 559 C ILE A 37 4.748 14.674 -2.070 1.00 0.38 C ATOM 560 O ILE A 37 4.640 15.749 -2.653 1.00 0.46 O ATOM 561 CB ILE A 37 4.169 14.958 0.320 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.437 14.316 0.895 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.015 14.914 1.296 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.956 14.987 2.146 1.00 0.49 C ATOM 0 H ILE A 37 4.186 12.463 0.058 1.00 0.37 H new ATOM 0 HA ILE A 37 2.758 14.521 -1.212 1.00 0.41 H new ATOM 0 HB ILE A 37 4.384 16.008 0.123 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.233 13.268 1.116 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.218 14.335 0.135 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.298 15.422 2.218 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.149 15.412 0.859 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.764 13.876 1.516 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.854 14.473 2.489 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.195 16.028 1.928 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.194 14.944 2.924 1.00 0.49 H new ATOM 576 N ASP A 38 5.695 13.776 -2.313 1.00 0.35 N ATOM 577 CA ASP A 38 6.650 13.899 -3.386 1.00 0.40 C ATOM 578 C ASP A 38 5.941 13.924 -4.743 1.00 0.56 C ATOM 579 O ASP A 38 6.330 14.657 -5.649 1.00 0.69 O ATOM 580 CB ASP A 38 7.610 12.713 -3.354 1.00 0.39 C ATOM 581 CG ASP A 38 8.345 12.513 -4.661 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.300 13.262 -4.940 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.962 11.597 -5.413 1.00 0.72 O ATOM 0 H ASP A 38 5.815 12.931 -1.755 1.00 0.35 H new ATOM 0 HA ASP A 38 7.197 14.832 -3.253 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.336 12.861 -2.554 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.052 11.807 -3.115 1.00 0.39 H new ATOM 588 N GLN A 39 4.880 13.111 -4.852 1.00 0.63 N ATOM 589 CA GLN A 39 4.231 12.833 -6.134 1.00 0.85 C ATOM 590 C GLN A 39 3.530 14.065 -6.721 1.00 0.93 C ATOM 591 O GLN A 39 3.976 14.603 -7.736 1.00 1.19 O ATOM 592 CB GLN A 39 3.245 11.667 -5.978 1.00 0.98 C ATOM 593 CG GLN A 39 3.908 10.353 -5.585 1.00 1.00 C ATOM 594 CD GLN A 39 4.800 9.781 -6.670 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.364 8.985 -7.498 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.058 10.184 -6.682 1.00 0.82 N ATOM 0 H GLN A 39 4.453 12.633 -4.059 1.00 0.63 H new ATOM 0 HA GLN A 39 5.012 12.555 -6.842 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.503 11.929 -5.224 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.710 11.527 -6.917 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.500 10.509 -4.683 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.136 9.624 -5.338 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.388 10.846 -5.980 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.699 9.833 -7.393 1.00 0.82 H new ATOM 815 N GLY A 54 -0.889 10.638 0.248 1.00 0.78 N ATOM 816 CA GLY A 54 -0.285 9.607 1.053 1.00 0.65 C ATOM 817 C GLY A 54 0.614 8.733 0.220 1.00 0.53 C ATOM 818 O GLY A 54 1.142 9.177 -0.814 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.289 10.060 1.861 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.062 8.999 1.516 1.00 0.65 H new ATOM 822 N ILE A 55 0.806 7.498 0.644 1.00 0.48 N ATOM 823 CA ILE A 55 1.470 6.542 -0.201 1.00 0.40 C ATOM 824 C ILE A 55 0.402 5.593 -0.699 1.00 0.33 C ATOM 825 O ILE A 55 -0.589 5.432 -0.019 1.00 0.43 O ATOM 826 CB ILE A 55 2.634 5.823 0.535 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.886 6.711 0.526 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.962 4.486 -0.115 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.769 8.027 1.269 1.00 0.54 C ATOM 0 H ILE A 55 0.514 7.143 1.555 1.00 0.48 H new ATOM 0 HA ILE A 55 1.953 7.033 -1.046 1.00 0.40 H new ATOM 0 HB ILE A 55 2.315 5.638 1.561 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.712 6.145 0.956 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.150 6.923 -0.510 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.781 4.010 0.425 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.084 3.841 -0.084 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.257 4.648 -1.152 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.711 8.571 1.196 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.970 8.624 0.828 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.541 7.834 2.317 1.00 0.54 H new ATOM 841 N TYR A 56 0.504 5.070 -1.917 1.00 0.25 N ATOM 842 CA TYR A 56 -0.499 4.141 -2.387 1.00 0.23 C ATOM 843 C TYR A 56 0.071 3.207 -3.426 1.00 0.18 C ATOM 844 O TYR A 56 0.911 3.584 -4.244 1.00 0.28 O ATOM 845 CB TYR A 56 -1.765 4.852 -2.899 1.00 0.36 C ATOM 846 CG TYR A 56 -1.522 6.092 -3.714 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.917 7.194 -3.146 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.915 6.162 -5.036 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.696 8.344 -3.871 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.708 7.310 -5.779 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.093 8.400 -5.190 1.00 1.01 C ATOM 852 OH TYR A 56 -0.884 9.552 -5.918 1.00 1.42 O ATOM 0 H TYR A 56 1.255 5.272 -2.578 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.806 3.543 -1.529 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.338 4.148 -3.502 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.385 5.116 -2.042 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.610 7.154 -2.111 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.391 5.308 -5.496 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.216 9.195 -3.410 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.024 7.355 -6.811 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.220 9.428 -6.830 1.00 1.42 H new ATOM 862 N VAL A 57 -0.363 1.973 -3.341 1.00 0.18 N ATOM 863 CA VAL A 57 0.111 0.933 -4.208 1.00 0.17 C ATOM 864 C VAL A 57 -0.627 1.006 -5.532 1.00 0.16 C ATOM 865 O VAL A 57 -1.852 1.156 -5.572 1.00 0.22 O ATOM 866 CB VAL A 57 -0.034 -0.450 -3.531 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.428 -1.034 -3.638 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.997 -1.420 -4.051 1.00 0.58 C ATOM 0 H VAL A 57 -1.059 1.665 -2.663 1.00 0.18 H new ATOM 0 HA VAL A 57 1.174 1.074 -4.406 1.00 0.17 H new ATOM 0 HB VAL A 57 0.144 -0.283 -2.469 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.455 -2.004 -3.141 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.142 -0.362 -3.161 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.691 -1.157 -4.689 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.871 -2.384 -3.558 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.870 -1.544 -5.127 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.996 -1.035 -3.845 1.00 0.58 H new ATOM 878 N THR A 58 0.138 0.945 -6.601 1.00 0.17 N ATOM 879 CA THR A 58 -0.379 1.146 -7.936 1.00 0.24 C ATOM 880 C THR A 58 -0.596 -0.193 -8.625 1.00 0.38 C ATOM 881 O THR A 58 -1.315 -0.290 -9.611 1.00 1.11 O ATOM 882 CB THR A 58 0.593 2.009 -8.764 1.00 0.39 C ATOM 883 OG1 THR A 58 0.905 3.211 -8.045 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.005 2.367 -10.115 1.00 0.69 C ATOM 0 H THR A 58 1.139 0.754 -6.568 1.00 0.17 H new ATOM 0 HA THR A 58 -1.335 1.665 -7.861 1.00 0.24 H new ATOM 0 HB THR A 58 1.502 1.431 -8.933 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.524 3.757 -8.573 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.703 2.976 -10.677 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.220 1.454 -10.671 1.00 0.69 H new ATOM 0 HG23 THR A 58 -0.928 2.928 -9.967 1.00 0.69 H new ATOM 892 N ARG A 59 0.042 -1.228 -8.105 1.00 0.31 N ATOM 893 CA ARG A 59 -0.184 -2.575 -8.604 1.00 0.26 C ATOM 894 C ARG A 59 -0.080 -3.612 -7.506 1.00 0.26 C ATOM 895 O ARG A 59 -0.122 -3.293 -6.319 1.00 0.27 O ATOM 896 CB ARG A 59 0.803 -2.952 -9.710 1.00 0.26 C ATOM 897 CG ARG A 59 0.543 -2.255 -11.024 1.00 0.34 C ATOM 898 CD ARG A 59 1.445 -2.783 -12.124 1.00 0.45 C ATOM 899 NE ARG A 59 1.347 -1.986 -13.345 1.00 1.06 N ATOM 900 CZ ARG A 59 1.238 -2.503 -14.568 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.145 -3.818 -14.732 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.209 -1.698 -15.624 1.00 2.27 N ATOM 0 H ARG A 59 0.716 -1.163 -7.342 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.197 -2.569 -9.006 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.814 -2.715 -9.378 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.763 -4.030 -9.867 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.500 -2.393 -11.310 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.702 -1.183 -10.906 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.478 -2.786 -11.775 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.180 -3.817 -12.344 1.00 0.45 H new ATOM 0 HE ARG A 59 1.363 -0.970 -13.255 1.00 1.06 H new ATOM 0 HH11 ARG A 59 1.157 -4.435 -13.920 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.062 -4.210 -15.670 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.270 -0.688 -15.497 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.126 -2.090 -16.562 1.00 2.27 H new ATOM 916 N VAL A 60 -0.031 -4.854 -7.969 1.00 0.26 N ATOM 917 CA VAL A 60 0.371 -6.042 -7.210 1.00 0.27 C ATOM 918 C VAL A 60 0.597 -7.144 -8.234 1.00 0.36 C ATOM 919 O VAL A 60 -0.061 -7.156 -9.275 1.00 0.51 O ATOM 920 CB VAL A 60 -0.644 -6.566 -6.147 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.135 -7.874 -5.565 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.836 -5.593 -5.007 1.00 0.75 C ATOM 0 H VAL A 60 -0.282 -5.077 -8.932 1.00 0.26 H new ATOM 0 HA VAL A 60 1.251 -5.759 -6.632 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.599 -6.698 -6.655 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.843 -8.242 -4.822 1.00 0.83 H new ATOM 0 HG12 VAL A 60 -0.030 -8.610 -6.362 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.834 -7.710 -5.093 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.551 -6.004 -4.294 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.118 -5.425 -4.507 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.214 -4.647 -5.396 1.00 0.75 H new ATOM 932 N SER A 61 1.537 -8.027 -7.977 1.00 0.45 N ATOM 933 CA SER A 61 1.802 -9.123 -8.878 1.00 0.56 C ATOM 934 C SER A 61 1.072 -10.376 -8.456 1.00 0.56 C ATOM 935 O SER A 61 1.088 -10.765 -7.285 1.00 0.64 O ATOM 936 CB SER A 61 3.287 -9.412 -8.937 1.00 0.72 C ATOM 937 OG SER A 61 3.821 -9.584 -7.635 1.00 1.65 O ATOM 0 H SER A 61 2.131 -8.006 -7.148 1.00 0.45 H new ATOM 0 HA SER A 61 1.444 -8.825 -9.864 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.463 -10.310 -9.528 1.00 0.72 H new ATOM 0 HB3 SER A 61 3.801 -8.593 -9.440 1.00 0.72 H new ATOM 0 HG SER A 61 4.677 -10.058 -7.692 1.00 1.65 H new ATOM 943 N GLU A 62 0.447 -10.992 -9.427 1.00 0.68 N ATOM 944 CA GLU A 62 -0.149 -12.294 -9.266 1.00 0.73 C ATOM 945 C GLU A 62 0.921 -13.326 -8.994 1.00 0.74 C ATOM 946 O GLU A 62 1.785 -13.592 -9.834 1.00 0.84 O ATOM 947 CB GLU A 62 -0.900 -12.634 -10.528 1.00 0.86 C ATOM 948 CG GLU A 62 -2.254 -11.961 -10.603 1.00 1.45 C ATOM 949 CD GLU A 62 -2.923 -12.153 -11.942 1.00 1.62 C ATOM 950 OE1 GLU A 62 -2.466 -11.546 -12.931 1.00 1.85 O ATOM 951 OE2 GLU A 62 -3.902 -12.926 -12.016 1.00 1.75 O ATOM 0 H GLU A 62 0.336 -10.599 -10.362 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.835 -12.289 -8.419 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.304 -12.338 -11.391 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -1.032 -13.714 -10.587 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.898 -12.359 -9.819 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -2.137 -10.895 -10.409 1.00 1.45 H new ATOM 958 N GLY A 63 0.862 -13.886 -7.810 1.00 0.76 N ATOM 959 CA GLY A 63 1.854 -14.842 -7.388 1.00 0.86 C ATOM 960 C GLY A 63 2.928 -14.209 -6.525 1.00 0.80 C ATOM 961 O GLY A 63 3.666 -14.907 -5.825 1.00 0.92 O ATOM 0 H GLY A 63 0.135 -13.695 -7.121 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.369 -15.644 -6.832 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.315 -15.296 -8.265 1.00 0.86 H new ATOM 965 N GLY A 64 3.017 -12.882 -6.564 1.00 0.67 N ATOM 966 CA GLY A 64 3.990 -12.186 -5.753 1.00 0.66 C ATOM 967 C GLY A 64 3.552 -12.099 -4.319 1.00 0.63 C ATOM 968 O GLY A 64 2.406 -12.390 -3.992 1.00 0.99 O ATOM 0 H GLY A 64 2.431 -12.281 -7.143 1.00 0.67 H new ATOM 0 HA2 GLY A 64 4.949 -12.702 -5.811 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.144 -11.182 -6.149 1.00 0.66 H new ATOM 972 N PRO A 65 4.431 -11.626 -3.453 1.00 0.37 N ATOM 973 CA PRO A 65 4.251 -11.753 -2.018 1.00 0.27 C ATOM 974 C PRO A 65 3.183 -10.833 -1.467 1.00 0.23 C ATOM 975 O PRO A 65 2.527 -11.136 -0.469 1.00 0.29 O ATOM 976 CB PRO A 65 5.634 -11.442 -1.483 1.00 0.32 C ATOM 977 CG PRO A 65 6.278 -10.553 -2.491 1.00 0.43 C ATOM 978 CD PRO A 65 5.660 -10.899 -3.813 1.00 0.44 C ATOM 0 HA PRO A 65 3.889 -12.737 -1.721 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.575 -10.951 -0.512 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.212 -12.355 -1.343 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.112 -9.504 -2.247 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.357 -10.708 -2.514 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.439 -10.005 -4.396 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.326 -11.516 -4.416 1.00 0.44 H new ATOM 986 N ALA A 66 2.998 -9.730 -2.138 1.00 0.22 N ATOM 987 CA ALA A 66 1.924 -8.819 -1.855 1.00 0.24 C ATOM 988 C ALA A 66 0.558 -9.491 -1.981 1.00 0.29 C ATOM 989 O ALA A 66 -0.362 -9.159 -1.245 1.00 0.36 O ATOM 990 CB ALA A 66 2.033 -7.669 -2.811 1.00 0.27 C ATOM 0 H ALA A 66 3.598 -9.434 -2.908 1.00 0.22 H new ATOM 0 HA ALA A 66 2.007 -8.474 -0.824 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.228 -6.959 -2.619 1.00 0.27 H new ATOM 0 HB2 ALA A 66 2.994 -7.173 -2.676 1.00 0.27 H new ATOM 0 HB3 ALA A 66 1.956 -8.038 -3.834 1.00 0.27 H new ATOM 996 N GLU A 67 0.428 -10.447 -2.894 1.00 0.30 N ATOM 997 CA GLU A 67 -0.855 -11.106 -3.106 1.00 0.42 C ATOM 998 C GLU A 67 -1.096 -12.126 -2.000 1.00 0.39 C ATOM 999 O GLU A 67 -2.236 -12.411 -1.621 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.912 -11.769 -4.486 1.00 0.53 C ATOM 1001 CG GLU A 67 -2.238 -12.461 -4.761 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.383 -12.939 -6.188 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.593 -13.803 -6.613 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.318 -12.472 -6.876 1.00 1.79 O ATOM 0 H GLU A 67 1.184 -10.780 -3.492 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.645 -10.356 -3.072 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.737 -11.014 -5.253 1.00 0.53 H new ATOM 0 HB3 GLU A 67 -0.105 -12.498 -4.566 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.341 -13.313 -4.088 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -3.052 -11.774 -4.532 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.003 -12.658 -1.476 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.057 -13.593 -0.363 1.00 0.31 C ATOM 1013 C ILE A 68 -0.451 -12.836 0.898 1.00 0.28 C ATOM 1014 O ILE A 68 -1.270 -13.302 1.695 1.00 0.34 O ATOM 1015 CB ILE A 68 1.305 -14.311 -0.159 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.549 -15.369 -1.247 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.372 -14.957 1.213 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.412 -14.859 -2.659 1.00 0.51 C ATOM 0 H ILE A 68 0.940 -12.456 -1.807 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.799 -14.360 -0.583 1.00 0.31 H new ATOM 0 HB ILE A 68 2.087 -13.555 -0.234 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.551 -15.779 -1.118 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.847 -16.190 -1.101 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.334 -15.454 1.334 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.259 -14.192 1.981 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.571 -15.689 1.310 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.601 -15.672 -3.360 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.403 -14.476 -2.811 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.133 -14.059 -2.829 1.00 0.51 H new ATOM 1030 N ALA A 69 0.119 -11.649 1.046 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.227 -10.759 2.143 1.00 0.24 C ATOM 1032 C ALA A 69 -1.646 -10.219 1.953 1.00 0.31 C ATOM 1033 O ALA A 69 -2.364 -9.974 2.922 1.00 0.41 O ATOM 1034 CB ALA A 69 0.784 -9.620 2.239 1.00 0.24 C ATOM 0 H ALA A 69 0.829 -11.278 0.414 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.196 -11.318 3.078 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.513 -8.961 3.064 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.779 -10.030 2.414 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.784 -9.054 1.308 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.051 -10.066 0.695 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.400 -9.617 0.391 1.00 0.41 C ATOM 1042 C GLY A 70 -3.487 -8.140 0.040 1.00 0.36 C ATOM 1043 O GLY A 70 -4.284 -7.412 0.624 1.00 0.45 O ATOM 0 H GLY A 70 -1.467 -10.245 -0.122 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.790 -10.203 -0.441 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.042 -9.816 1.249 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.670 -7.702 -0.909 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.705 -6.320 -1.384 1.00 0.30 C ATOM 1049 C LEU A 71 -3.433 -6.267 -2.730 1.00 0.24 C ATOM 1050 O LEU A 71 -3.479 -7.270 -3.444 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.273 -5.791 -1.496 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.128 -4.285 -1.689 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.837 -3.533 -0.570 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.347 -3.910 -1.732 1.00 0.87 C ATOM 0 H LEU A 71 -1.971 -8.285 -1.369 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.247 -5.687 -0.681 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.731 -6.075 -0.594 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.786 -6.293 -2.332 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.592 -4.004 -2.635 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.723 -2.460 -0.724 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.896 -3.790 -0.573 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.399 -3.810 0.389 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.445 -2.833 -1.870 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.824 -4.201 -0.796 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.830 -4.427 -2.561 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.998 -5.112 -3.085 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.991 -5.075 -4.157 1.00 0.33 C ATOM 1068 C GLN A 72 -4.712 -4.086 -5.287 1.00 0.25 C ATOM 1069 O GLN A 72 -5.660 -3.598 -5.904 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.321 -4.727 -3.557 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.720 -5.629 -2.416 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.763 -4.980 -1.550 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.616 -3.686 -1.344 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.666 -5.636 -1.034 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.791 -4.210 -2.657 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.962 -6.065 -4.613 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.292 -3.697 -3.202 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.085 -4.776 -4.333 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.104 -6.570 -2.810 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.843 -5.870 -1.815 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.741 -6.636 -1.222 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.340 -5.180 -0.418 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.451 -3.785 -5.587 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.134 -3.096 -6.831 1.00 0.26 C ATOM 1085 C ILE A 73 -3.555 -1.603 -6.822 1.00 0.23 C ATOM 1086 O ILE A 73 -3.322 -0.887 -7.790 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.819 -3.850 -8.015 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.447 -5.339 -7.990 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.451 -3.259 -9.358 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.140 -6.166 -9.057 1.00 0.77 C ATOM 0 H ILE A 73 -2.647 -4.003 -4.998 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.051 -3.104 -6.950 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.895 -3.737 -7.883 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.368 -5.436 -8.113 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.694 -5.748 -7.010 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.951 -3.816 -10.150 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.765 -2.216 -9.395 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.372 -3.319 -9.498 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.825 -7.206 -8.973 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.220 -6.102 -8.923 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.874 -5.785 -10.043 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.110 -1.108 -5.717 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.676 0.238 -5.733 1.00 0.25 C ATOM 1104 C GLY A 74 -5.097 0.722 -4.362 1.00 0.29 C ATOM 1105 O GLY A 74 -6.217 1.202 -4.177 1.00 0.37 O ATOM 0 H GLY A 74 -4.179 -1.600 -4.826 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.942 0.929 -6.146 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.539 0.255 -6.398 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.185 0.620 -3.418 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.484 0.882 -2.008 1.00 0.34 C ATOM 1111 C ASP A 75 -3.602 1.978 -1.441 1.00 0.30 C ATOM 1112 O ASP A 75 -2.419 2.035 -1.745 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.302 -0.385 -1.176 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.408 -1.390 -1.393 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.544 -1.130 -0.940 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.146 -2.447 -2.010 1.00 0.89 O ATOM 0 H ASP A 75 -3.216 0.355 -3.596 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.522 1.210 -1.958 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.346 -0.844 -1.426 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.261 -0.118 -0.120 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.160 2.814 -0.580 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.393 3.861 0.077 1.00 0.28 C ATOM 1123 C LYS A 76 -2.671 3.286 1.281 1.00 0.28 C ATOM 1124 O LYS A 76 -3.250 2.598 2.086 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.296 5.016 0.518 1.00 0.34 C ATOM 1126 CG LYS A 76 -4.705 5.948 -0.608 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.661 7.018 -0.104 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.992 8.035 -1.179 1.00 1.55 C ATOM 1129 NZ LYS A 76 -4.883 8.997 -1.413 1.00 2.20 N ATOM 0 H LYS A 76 -5.146 2.788 -0.319 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.667 4.251 -0.636 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.194 4.605 0.979 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -3.780 5.594 1.284 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -3.820 6.418 -1.037 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -5.180 5.376 -1.405 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -6.580 6.548 0.246 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -5.218 7.526 0.752 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.220 7.515 -2.109 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -6.890 8.583 -0.892 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -5.159 9.671 -2.156 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -4.681 9.515 -0.534 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -4.032 8.480 -1.713 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.406 3.555 1.381 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.590 3.056 2.450 1.00 0.27 C ATOM 1145 C ILE A 77 -0.396 4.123 3.517 1.00 0.25 C ATOM 1146 O ILE A 77 0.026 5.264 3.216 1.00 0.29 O ATOM 1147 CB ILE A 77 0.751 2.607 1.888 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.527 1.450 0.914 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.744 2.236 2.984 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.960 1.776 -0.495 1.00 0.49 C ATOM 0 H ILE A 77 -0.901 4.137 0.712 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.086 2.205 2.916 1.00 0.27 H new ATOM 0 HB ILE A 77 1.198 3.444 1.352 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.076 0.576 1.264 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.530 1.183 0.911 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.685 1.922 2.532 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.919 3.101 3.624 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.339 1.419 3.581 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.776 0.917 -1.140 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.393 2.632 -0.861 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.023 2.015 -0.503 1.00 0.49 H new ATOM 1162 N MET A 78 -0.749 3.734 4.745 1.00 0.22 N ATOM 1163 CA MET A 78 -0.668 4.592 5.912 1.00 0.24 C ATOM 1164 C MET A 78 0.670 4.484 6.638 1.00 0.24 C ATOM 1165 O MET A 78 1.004 5.341 7.458 1.00 0.30 O ATOM 1166 CB MET A 78 -1.782 4.254 6.908 1.00 0.33 C ATOM 1167 CG MET A 78 -3.195 4.282 6.342 1.00 0.32 C ATOM 1168 SD MET A 78 -3.785 5.945 5.971 1.00 0.75 S ATOM 1169 CE MET A 78 -2.832 6.299 4.501 1.00 1.06 C ATOM 0 H MET A 78 -1.103 2.800 4.951 1.00 0.22 H new ATOM 0 HA MET A 78 -0.776 5.611 5.541 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.592 3.261 7.316 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.728 4.957 7.740 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.226 3.682 5.432 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.874 3.814 7.055 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.362 7.030 3.891 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.860 6.701 4.786 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.692 5.382 3.929 1.00 1.06 H new ATOM 1179 N GLN A 79 1.423 3.431 6.369 1.00 0.23 N ATOM 1180 CA GLN A 79 2.677 3.203 7.084 1.00 0.23 C ATOM 1181 C GLN A 79 3.565 2.186 6.376 1.00 0.24 C ATOM 1182 O GLN A 79 3.079 1.287 5.693 1.00 0.24 O ATOM 1183 CB GLN A 79 2.404 2.759 8.534 1.00 0.26 C ATOM 1184 CG GLN A 79 3.365 1.691 9.042 1.00 0.54 C ATOM 1185 CD GLN A 79 3.307 1.481 10.538 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.102 2.552 11.277 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.497 0.368 11.027 1.00 0.43 N flip ATOM 0 H GLN A 79 1.195 2.725 5.669 1.00 0.23 H new ATOM 0 HA GLN A 79 3.214 4.151 7.099 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.464 3.629 9.188 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.385 2.379 8.602 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.142 0.748 8.543 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.382 1.967 8.762 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.652 -0.436 10.419 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.500 0.250 12.040 1.00 0.43 H new ATOM 1196 N VAL A 80 4.869 2.338 6.570 1.00 0.28 N ATOM 1197 CA VAL A 80 5.853 1.434 5.997 1.00 0.35 C ATOM 1198 C VAL A 80 6.832 0.972 7.064 1.00 0.31 C ATOM 1199 O VAL A 80 7.702 1.734 7.489 1.00 0.31 O ATOM 1200 CB VAL A 80 6.640 2.091 4.841 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.871 1.271 4.485 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.748 2.279 3.624 1.00 1.31 C ATOM 0 H VAL A 80 5.272 3.091 7.128 1.00 0.28 H new ATOM 0 HA VAL A 80 5.305 0.580 5.597 1.00 0.35 H new ATOM 0 HB VAL A 80 6.975 3.073 5.175 1.00 0.52 H new ATOM 0 HG11 VAL A 80 8.407 1.755 3.669 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.524 1.198 5.355 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.565 0.271 4.176 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.321 2.743 2.821 1.00 1.31 H new ATOM 0 HG22 VAL A 80 5.377 1.309 3.292 1.00 1.31 H new ATOM 0 HG23 VAL A 80 4.906 2.919 3.886 1.00 1.31 H new ATOM 1212 N ASN A 81 6.668 -0.275 7.498 1.00 0.34 N ATOM 1213 CA ASN A 81 7.573 -0.905 8.456 1.00 0.38 C ATOM 1214 C ASN A 81 7.821 -0.025 9.667 1.00 0.34 C ATOM 1215 O ASN A 81 8.965 0.170 10.082 1.00 0.40 O ATOM 1216 CB ASN A 81 8.895 -1.275 7.776 1.00 0.46 C ATOM 1217 CG ASN A 81 8.726 -2.463 6.859 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.963 -3.603 7.248 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.288 -2.212 5.641 1.00 1.18 N ATOM 0 H ASN A 81 5.903 -0.878 7.195 1.00 0.34 H new ATOM 0 HA ASN A 81 7.092 -1.816 8.813 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.264 -0.422 7.206 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.645 -1.501 8.534 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.135 -2.979 4.986 1.00 1.18 H new ATOM 0 HD22 ASN A 81 8.102 -1.251 5.354 1.00 1.18 H new ATOM 1226 N GLY A 82 6.744 0.515 10.218 1.00 0.32 N ATOM 1227 CA GLY A 82 6.858 1.302 11.433 1.00 0.34 C ATOM 1228 C GLY A 82 6.897 2.794 11.170 1.00 0.31 C ATOM 1229 O GLY A 82 6.713 3.592 12.084 1.00 0.38 O ATOM 0 H GLY A 82 5.797 0.424 9.850 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.015 1.076 12.086 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.762 1.009 11.966 1.00 0.34 H new ATOM 1233 N TRP A 83 7.136 3.180 9.924 1.00 0.28 N ATOM 1234 CA TRP A 83 7.146 4.589 9.561 1.00 0.28 C ATOM 1235 C TRP A 83 5.747 5.045 9.253 1.00 0.29 C ATOM 1236 O TRP A 83 4.844 4.236 9.121 1.00 0.48 O ATOM 1237 CB TRP A 83 8.050 4.869 8.366 1.00 0.30 C ATOM 1238 CG TRP A 83 9.487 4.702 8.679 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.197 3.555 8.587 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.393 5.710 9.137 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.497 3.780 8.947 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.644 5.094 9.295 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.271 7.071 9.429 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.770 5.789 9.727 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.388 7.763 9.858 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.623 7.117 10.004 1.00 0.76 C ATOM 0 H TRP A 83 7.324 2.541 9.152 1.00 0.28 H new ATOM 0 HA TRP A 83 7.542 5.143 10.412 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.781 4.200 7.549 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.876 5.886 8.015 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.797 2.602 8.275 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.238 3.080 8.955 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.321 7.573 9.321 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.724 5.296 9.839 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.308 8.816 10.084 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.478 7.683 10.343 1.00 0.76 H new ATOM 1257 N ASP A 84 5.574 6.332 9.105 1.00 0.39 N ATOM 1258 CA ASP A 84 4.246 6.888 8.966 1.00 0.41 C ATOM 1259 C ASP A 84 4.056 7.530 7.610 1.00 0.40 C ATOM 1260 O ASP A 84 4.683 8.542 7.291 1.00 0.59 O ATOM 1261 CB ASP A 84 3.984 7.904 10.073 1.00 0.62 C ATOM 1262 CG ASP A 84 2.555 8.417 10.067 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.680 7.742 10.643 1.00 1.89 O ATOM 1264 OD2 ASP A 84 2.304 9.502 9.497 1.00 1.28 O ATOM 0 H ASP A 84 6.330 7.016 9.077 1.00 0.39 H new ATOM 0 HA ASP A 84 3.529 6.072 9.052 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.198 7.447 11.039 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.669 8.745 9.959 1.00 0.62 H new ATOM 1269 N MET A 85 3.199 6.926 6.808 1.00 0.36 N ATOM 1270 CA MET A 85 2.936 7.424 5.481 1.00 0.46 C ATOM 1271 C MET A 85 1.564 8.073 5.407 1.00 0.36 C ATOM 1272 O MET A 85 0.534 7.413 5.318 1.00 0.56 O ATOM 1273 CB MET A 85 3.066 6.300 4.450 1.00 0.76 C ATOM 1274 CG MET A 85 4.508 5.918 4.154 1.00 0.49 C ATOM 1275 SD MET A 85 5.387 5.307 5.605 1.00 1.01 S ATOM 1276 CE MET A 85 7.083 5.590 5.123 1.00 0.44 C ATOM 0 H MET A 85 2.674 6.088 7.058 1.00 0.36 H new ATOM 0 HA MET A 85 3.679 8.187 5.249 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.532 5.421 4.812 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.582 6.609 3.523 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.523 5.153 3.378 1.00 0.49 H new ATOM 0 HG3 MET A 85 5.034 6.786 3.756 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.667 4.686 5.298 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.122 5.848 4.065 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.497 6.409 5.712 1.00 0.44 H new ATOM 1286 N THR A 86 1.591 9.378 5.465 1.00 0.31 N ATOM 1287 CA THR A 86 0.441 10.217 5.220 1.00 0.35 C ATOM 1288 C THR A 86 0.868 11.298 4.271 1.00 0.46 C ATOM 1289 O THR A 86 0.337 11.463 3.179 1.00 1.05 O ATOM 1290 CB THR A 86 -0.049 10.877 6.514 1.00 0.36 C ATOM 1291 OG1 THR A 86 1.076 11.169 7.362 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.038 10.000 7.241 1.00 0.37 C ATOM 0 H THR A 86 2.435 9.904 5.690 1.00 0.31 H new ATOM 0 HA THR A 86 -0.369 9.610 4.814 1.00 0.35 H new ATOM 0 HB THR A 86 -0.560 11.804 6.254 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.224 10.421 7.978 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.364 10.499 8.154 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.900 9.815 6.600 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.565 9.051 7.495 1.00 0.37 H new ATOM 1300 N MET A 87 1.863 12.028 4.718 1.00 0.56 N ATOM 1301 CA MET A 87 2.511 13.007 3.895 1.00 0.65 C ATOM 1302 C MET A 87 4.001 12.716 3.880 1.00 0.76 C ATOM 1303 O MET A 87 4.772 13.304 4.636 1.00 1.49 O ATOM 1304 CB MET A 87 2.232 14.415 4.411 1.00 0.84 C ATOM 1305 CG MET A 87 1.036 14.491 5.356 1.00 0.97 C ATOM 1306 SD MET A 87 0.727 16.158 5.965 1.00 1.36 S ATOM 1307 CE MET A 87 -0.688 15.850 7.019 1.00 1.62 C ATOM 0 H MET A 87 2.242 11.956 5.662 1.00 0.56 H new ATOM 0 HA MET A 87 2.121 12.952 2.879 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.117 14.786 4.927 1.00 0.84 H new ATOM 0 HB3 MET A 87 2.057 15.076 3.562 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.148 14.128 4.839 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.206 13.826 6.203 1.00 0.97 H new ATOM 0 HE1 MET A 87 -1.010 16.785 7.478 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.503 15.439 6.423 1.00 1.62 H new ATOM 0 HE3 MET A 87 -0.413 15.139 7.798 1.00 1.62 H new ATOM 1317 N VAL A 88 4.380 11.740 3.069 1.00 0.40 N ATOM 1318 CA VAL A 88 5.753 11.313 2.946 1.00 0.45 C ATOM 1319 C VAL A 88 6.057 11.042 1.471 1.00 0.36 C ATOM 1320 O VAL A 88 5.204 10.533 0.760 1.00 0.39 O ATOM 1321 CB VAL A 88 5.966 10.066 3.843 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.605 8.900 3.114 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.786 10.447 5.060 1.00 1.09 C ATOM 0 H VAL A 88 3.733 11.222 2.475 1.00 0.40 H new ATOM 0 HA VAL A 88 6.445 12.084 3.284 1.00 0.45 H new ATOM 0 HB VAL A 88 4.978 9.723 4.150 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.724 8.062 3.801 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.969 8.599 2.282 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.582 9.200 2.734 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.934 9.569 5.688 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.754 10.832 4.740 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.260 11.215 5.627 1.00 1.09 H new ATOM 1333 N THR A 89 7.221 11.476 0.992 1.00 0.31 N ATOM 1334 CA THR A 89 7.602 11.291 -0.394 1.00 0.28 C ATOM 1335 C THR A 89 7.584 9.819 -0.816 1.00 0.26 C ATOM 1336 O THR A 89 7.757 8.917 0.002 1.00 0.26 O ATOM 1337 CB THR A 89 8.997 11.901 -0.644 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.977 11.247 0.161 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.989 13.381 -0.304 1.00 0.35 C ATOM 0 H THR A 89 7.918 11.962 1.555 1.00 0.31 H new ATOM 0 HA THR A 89 6.861 11.807 -1.005 1.00 0.28 H new ATOM 0 HB THR A 89 9.244 11.767 -1.697 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.857 11.643 -0.009 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.979 13.801 -0.484 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.258 13.894 -0.929 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.725 13.512 0.745 1.00 0.35 H new ATOM 1347 N HIS A 90 7.357 9.595 -2.108 1.00 0.26 N ATOM 1348 CA HIS A 90 7.308 8.245 -2.675 1.00 0.25 C ATOM 1349 C HIS A 90 8.593 7.513 -2.398 1.00 0.27 C ATOM 1350 O HIS A 90 8.601 6.319 -2.108 1.00 0.30 O ATOM 1351 CB HIS A 90 7.074 8.330 -4.180 1.00 0.25 C ATOM 1352 CG HIS A 90 7.006 7.007 -4.902 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.234 6.891 -6.256 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.717 5.747 -4.471 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.086 5.635 -6.621 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.775 4.919 -5.561 1.00 0.32 N ATOM 0 H HIS A 90 7.202 10.338 -2.790 1.00 0.26 H new ATOM 0 HA HIS A 90 6.488 7.697 -2.211 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.143 8.868 -4.356 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.874 8.925 -4.622 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.485 5.455 -3.457 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.201 5.254 -7.625 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.605 3.913 -5.553 1.00 0.32 H new ATOM 1365 N ASP A 91 9.664 8.252 -2.478 1.00 0.31 N ATOM 1366 CA ASP A 91 10.994 7.692 -2.253 1.00 0.34 C ATOM 1367 C ASP A 91 11.169 7.358 -0.795 1.00 0.32 C ATOM 1368 O ASP A 91 11.856 6.404 -0.451 1.00 0.33 O ATOM 1369 CB ASP A 91 12.109 8.645 -2.685 1.00 0.41 C ATOM 1370 CG ASP A 91 12.240 8.752 -4.190 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.294 9.240 -4.845 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.299 8.365 -4.723 1.00 1.67 O ATOM 0 H ASP A 91 9.656 9.248 -2.697 1.00 0.31 H new ATOM 0 HA ASP A 91 11.069 6.792 -2.863 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.916 9.634 -2.271 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.055 8.303 -2.266 1.00 0.41 H new ATOM 1377 N GLN A 92 10.530 8.137 0.067 1.00 0.31 N ATOM 1378 CA GLN A 92 10.665 7.939 1.483 1.00 0.32 C ATOM 1379 C GLN A 92 10.057 6.600 1.857 1.00 0.29 C ATOM 1380 O GLN A 92 10.650 5.808 2.589 1.00 0.31 O ATOM 1381 CB GLN A 92 9.962 9.061 2.220 1.00 0.36 C ATOM 1382 CG GLN A 92 9.808 8.795 3.689 1.00 0.42 C ATOM 1383 CD GLN A 92 10.961 9.318 4.502 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.971 8.641 4.691 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.800 10.525 5.005 1.00 0.62 N ATOM 0 H GLN A 92 9.917 8.907 -0.200 1.00 0.31 H new ATOM 0 HA GLN A 92 11.719 7.944 1.761 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.522 9.986 2.081 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.977 9.216 1.780 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.884 9.253 4.041 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.713 7.721 3.851 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.943 11.045 4.818 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.533 10.939 5.581 1.00 0.62 H new ATOM 1394 N ALA A 93 8.878 6.343 1.308 1.00 0.27 N ATOM 1395 CA ALA A 93 8.168 5.112 1.589 1.00 0.28 C ATOM 1396 C ALA A 93 8.809 3.945 0.852 1.00 0.28 C ATOM 1397 O ALA A 93 8.908 2.842 1.385 1.00 0.33 O ATOM 1398 CB ALA A 93 6.705 5.252 1.215 1.00 0.33 C ATOM 0 H ALA A 93 8.397 6.973 0.666 1.00 0.27 H new ATOM 0 HA ALA A 93 8.230 4.909 2.658 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.183 4.320 1.431 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.258 6.061 1.793 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.621 5.476 0.152 1.00 0.33 H new ATOM 1404 N ARG A 94 9.267 4.206 -0.368 1.00 0.27 N ATOM 1405 CA ARG A 94 9.902 3.185 -1.191 1.00 0.30 C ATOM 1406 C ARG A 94 11.203 2.724 -0.552 1.00 0.33 C ATOM 1407 O ARG A 94 11.545 1.540 -0.593 1.00 0.37 O ATOM 1408 CB ARG A 94 10.192 3.729 -2.588 1.00 0.34 C ATOM 1409 CG ARG A 94 10.428 2.642 -3.623 1.00 0.43 C ATOM 1410 CD ARG A 94 11.072 3.192 -4.886 1.00 0.57 C ATOM 1411 NE ARG A 94 12.394 3.760 -4.626 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.755 4.995 -4.979 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.907 5.778 -5.628 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.970 5.443 -4.699 1.00 2.10 N ATOM 0 H ARG A 94 9.209 5.123 -0.810 1.00 0.27 H new ATOM 0 HA ARG A 94 9.219 2.340 -1.270 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.356 4.350 -2.909 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.069 4.374 -2.543 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.067 1.868 -3.197 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.479 2.169 -3.876 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.159 2.395 -5.625 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.427 3.958 -5.317 1.00 0.57 H new ATOM 0 HE ARG A 94 13.081 3.178 -4.147 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.974 5.438 -5.860 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.187 6.722 -5.896 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.635 4.843 -4.211 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.240 6.388 -4.971 1.00 2.10 H new ATOM 1428 N LYS A 95 11.918 3.673 0.047 1.00 0.33 N ATOM 1429 CA LYS A 95 13.196 3.404 0.655 1.00 0.40 C ATOM 1430 C LYS A 95 13.012 2.585 1.920 1.00 0.42 C ATOM 1431 O LYS A 95 13.777 1.662 2.191 1.00 0.46 O ATOM 1432 CB LYS A 95 13.892 4.734 0.959 1.00 0.46 C ATOM 1433 CG LYS A 95 15.274 4.603 1.567 1.00 0.64 C ATOM 1434 CD LYS A 95 15.219 4.422 3.083 1.00 0.56 C ATOM 1435 CE LYS A 95 16.279 3.444 3.587 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.644 3.787 3.100 1.00 0.96 N ATOM 0 H LYS A 95 11.619 4.645 0.119 1.00 0.33 H new ATOM 0 HA LYS A 95 13.817 2.826 -0.029 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.970 5.307 0.035 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.264 5.310 1.639 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.788 3.752 1.119 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.860 5.491 1.329 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.359 5.388 3.568 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.230 4.062 3.369 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.276 3.438 4.677 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.023 2.435 3.262 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.350 3.241 3.634 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.720 3.556 2.089 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.816 4.803 3.237 1.00 0.96 H new ATOM 1450 N ARG A 96 11.989 2.924 2.695 1.00 0.45 N ATOM 1451 CA ARG A 96 11.728 2.217 3.938 1.00 0.51 C ATOM 1452 C ARG A 96 11.256 0.799 3.657 1.00 0.57 C ATOM 1453 O ARG A 96 11.438 -0.108 4.472 1.00 0.72 O ATOM 1454 CB ARG A 96 10.682 2.943 4.788 1.00 0.55 C ATOM 1455 CG ARG A 96 11.085 4.334 5.241 1.00 0.59 C ATOM 1456 CD ARG A 96 12.514 4.379 5.750 1.00 0.72 C ATOM 1457 NE ARG A 96 12.864 3.227 6.585 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.056 3.061 7.162 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.995 3.991 7.035 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.291 1.981 7.903 1.00 3.57 N ATOM 0 H ARG A 96 11.333 3.677 2.486 1.00 0.45 H new ATOM 0 HA ARG A 96 12.664 2.185 4.495 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.757 3.016 4.216 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.466 2.338 5.668 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.975 5.031 4.410 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.410 4.668 6.029 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.195 4.424 4.900 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.660 5.294 6.324 1.00 0.72 H new ATOM 0 HE ARG A 96 12.155 2.509 6.734 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.807 4.836 6.495 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.905 3.861 7.477 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.560 1.281 8.030 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.202 1.854 8.344 1.00 3.57 H new ATOM 1474 N LEU A 97 10.635 0.626 2.507 1.00 0.52 N ATOM 1475 CA LEU A 97 10.133 -0.664 2.091 1.00 0.57 C ATOM 1476 C LEU A 97 11.271 -1.532 1.557 1.00 0.64 C ATOM 1477 O LEU A 97 11.424 -2.694 1.942 1.00 0.96 O ATOM 1478 CB LEU A 97 9.064 -0.447 1.021 1.00 0.70 C ATOM 1479 CG LEU A 97 7.975 -1.508 0.968 1.00 0.88 C ATOM 1480 CD1 LEU A 97 6.745 -0.964 0.267 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.464 -2.762 0.267 1.00 1.65 C ATOM 0 H LEU A 97 10.465 1.376 1.837 1.00 0.52 H new ATOM 0 HA LEU A 97 9.694 -1.185 2.942 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.596 0.523 1.189 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.552 -0.401 0.047 1.00 0.70 H new ATOM 0 HG LEU A 97 7.713 -1.773 1.993 1.00 0.88 H new ATOM 0 HD11 LEU A 97 5.974 -1.734 0.236 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.370 -0.096 0.810 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.006 -0.671 -0.750 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.664 -3.502 0.245 1.00 1.65 H new ATOM 0 HD22 LEU A 97 8.760 -2.517 -0.753 1.00 1.65 H new ATOM 0 HD23 LEU A 97 9.320 -3.169 0.805 1.00 1.65 H new ATOM 1493 N THR A 98 12.071 -0.947 0.683 1.00 0.54 N ATOM 1494 CA THR A 98 13.181 -1.648 0.063 1.00 0.65 C ATOM 1495 C THR A 98 14.511 -1.129 0.610 1.00 0.74 C ATOM 1496 O THR A 98 15.263 -0.444 -0.083 1.00 1.53 O ATOM 1497 CB THR A 98 13.143 -1.472 -1.466 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.785 -1.511 -1.916 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.935 -2.566 -2.167 1.00 1.12 C ATOM 0 H THR A 98 11.970 0.023 0.384 1.00 0.54 H new ATOM 0 HA THR A 98 13.090 -2.708 0.299 1.00 0.65 H new ATOM 0 HB THR A 98 13.594 -0.510 -1.710 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.759 -1.397 -2.889 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.889 -2.414 -3.245 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.974 -2.530 -1.839 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.510 -3.539 -1.919 1.00 1.12 H new ATOM 1507 N LYS A 99 14.782 -1.447 1.869 1.00 0.79 N ATOM 1508 CA LYS A 99 15.983 -0.953 2.538 1.00 1.12 C ATOM 1509 C LYS A 99 16.988 -2.081 2.752 1.00 1.36 C ATOM 1510 O LYS A 99 18.011 -1.918 3.420 1.00 2.28 O ATOM 1511 CB LYS A 99 15.582 -0.258 3.853 1.00 1.29 C ATOM 1512 CG LYS A 99 16.002 -0.980 5.121 1.00 1.18 C ATOM 1513 CD LYS A 99 14.963 -0.846 6.217 1.00 1.56 C ATOM 1514 CE LYS A 99 13.702 -1.624 5.883 1.00 1.98 C ATOM 1515 NZ LYS A 99 12.740 -1.631 7.012 1.00 2.72 N ATOM 0 H LYS A 99 14.190 -2.043 2.448 1.00 0.79 H new ATOM 0 HA LYS A 99 16.481 -0.216 1.908 1.00 1.12 H new ATOM 0 HB2 LYS A 99 16.015 0.742 3.863 1.00 1.29 H new ATOM 0 HB3 LYS A 99 14.499 -0.136 3.865 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.164 -2.035 4.901 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.953 -0.577 5.470 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.377 -1.207 7.159 1.00 1.56 H new ATOM 0 HD3 LYS A 99 14.716 0.206 6.360 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.228 -1.186 5.005 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.966 -2.650 5.625 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 11.893 -2.172 6.743 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.183 -2.072 7.843 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 12.468 -0.654 7.242 1.00 2.72 H new ATOM 1529 N ARG A 100 16.681 -3.214 2.146 1.00 1.04 N ATOM 1530 CA ARG A 100 17.579 -4.360 2.107 1.00 1.17 C ATOM 1531 C ARG A 100 17.678 -5.076 3.451 1.00 1.12 C ATOM 1532 O ARG A 100 18.627 -5.816 3.689 1.00 1.39 O ATOM 1533 CB ARG A 100 18.973 -3.952 1.623 1.00 1.55 C ATOM 1534 CG ARG A 100 19.007 -3.517 0.169 1.00 2.10 C ATOM 1535 CD ARG A 100 20.398 -3.064 -0.243 1.00 2.50 C ATOM 1536 NE ARG A 100 21.422 -4.085 -0.002 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.712 -3.918 -0.295 1.00 3.59 C ATOM 1538 NH1 ARG A 100 23.119 -2.787 -0.866 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.589 -4.879 -0.032 1.00 4.38 N ATOM 0 H ARG A 100 15.796 -3.368 1.663 1.00 1.04 H new ATOM 0 HA ARG A 100 17.147 -5.063 1.395 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.341 -3.137 2.246 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.656 -4.791 1.759 1.00 1.55 H new ATOM 0 HG2 ARG A 100 18.689 -4.343 -0.467 1.00 2.10 H new ATOM 0 HG3 ARG A 100 18.297 -2.704 0.014 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.392 -2.805 -1.302 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.658 -2.159 0.306 1.00 2.50 H new ATOM 0 HE ARG A 100 21.132 -4.971 0.412 1.00 3.10 H new ATOM 0 HH11 ARG A 100 22.445 -2.051 -1.078 1.00 3.60 H new ATOM 0 HH12 ARG A 100 24.105 -2.656 -1.092 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.277 -5.751 0.396 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.575 -4.746 -0.258 1.00 4.38 H new ATOM 1553 N SER A 101 16.695 -4.880 4.322 1.00 1.05 N ATOM 1554 CA SER A 101 16.657 -5.624 5.574 1.00 1.37 C ATOM 1555 C SER A 101 16.303 -7.081 5.289 1.00 1.22 C ATOM 1556 O SER A 101 16.932 -8.001 5.820 1.00 1.64 O ATOM 1557 CB SER A 101 15.655 -4.991 6.543 1.00 1.90 C ATOM 1558 OG SER A 101 14.392 -4.787 5.927 1.00 2.51 O ATOM 0 H SER A 101 15.926 -4.224 4.188 1.00 1.05 H new ATOM 0 HA SER A 101 17.639 -5.589 6.046 1.00 1.37 H new ATOM 0 HB2 SER A 101 15.536 -5.633 7.416 1.00 1.90 H new ATOM 0 HB3 SER A 101 16.045 -4.038 6.900 1.00 1.90 H new ATOM 0 HG SER A 101 13.733 -4.535 6.607 1.00 2.51 H new ATOM 1564 N GLU A 102 15.280 -7.263 4.448 1.00 1.06 N ATOM 1565 CA GLU A 102 14.925 -8.567 3.868 1.00 1.19 C ATOM 1566 C GLU A 102 14.389 -9.551 4.897 1.00 0.93 C ATOM 1567 O GLU A 102 14.141 -10.714 4.587 1.00 1.34 O ATOM 1568 CB GLU A 102 16.129 -9.172 3.142 1.00 1.63 C ATOM 1569 CG GLU A 102 16.705 -8.278 2.062 1.00 2.12 C ATOM 1570 CD GLU A 102 17.977 -8.845 1.474 1.00 2.70 C ATOM 1571 OE1 GLU A 102 19.059 -8.543 2.001 1.00 2.95 O ATOM 1572 OE2 GLU A 102 17.900 -9.573 0.460 1.00 3.40 O ATOM 0 H GLU A 102 14.668 -6.504 4.147 1.00 1.06 H new ATOM 0 HA GLU A 102 14.120 -8.382 3.157 1.00 1.19 H new ATOM 0 HB2 GLU A 102 16.908 -9.393 3.872 1.00 1.63 H new ATOM 0 HB3 GLU A 102 15.833 -10.121 2.695 1.00 1.63 H new ATOM 0 HG2 GLU A 102 15.968 -8.145 1.270 1.00 2.12 H new ATOM 0 HG3 GLU A 102 16.907 -7.291 2.478 1.00 2.12 H new ATOM 1579 N GLU A 103 14.202 -9.076 6.106 1.00 0.74 N ATOM 1580 CA GLU A 103 13.592 -9.869 7.147 1.00 0.68 C ATOM 1581 C GLU A 103 12.105 -10.062 6.846 1.00 0.54 C ATOM 1582 O GLU A 103 11.647 -11.159 6.532 1.00 0.61 O ATOM 1583 CB GLU A 103 13.788 -9.160 8.495 1.00 0.95 C ATOM 1584 CG GLU A 103 13.955 -7.648 8.353 1.00 1.37 C ATOM 1585 CD GLU A 103 13.772 -6.899 9.651 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.689 -6.951 10.502 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.712 -6.274 9.837 1.00 2.68 O ATOM 0 H GLU A 103 14.467 -8.134 6.395 1.00 0.74 H new ATOM 0 HA GLU A 103 14.061 -10.852 7.191 1.00 0.68 H new ATOM 0 HB2 GLU A 103 12.932 -9.367 9.137 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.666 -9.572 8.992 1.00 0.95 H new ATOM 0 HG2 GLU A 103 14.948 -7.435 7.957 1.00 1.37 H new ATOM 0 HG3 GLU A 103 13.235 -7.277 7.624 1.00 1.37 H new ATOM 1594 N VAL A 104 11.376 -8.969 6.938 1.00 0.40 N ATOM 1595 CA VAL A 104 9.934 -8.958 6.764 1.00 0.33 C ATOM 1596 C VAL A 104 9.497 -7.535 6.431 1.00 0.29 C ATOM 1597 O VAL A 104 10.211 -6.588 6.757 1.00 0.34 O ATOM 1598 CB VAL A 104 9.203 -9.505 8.016 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.631 -8.771 9.270 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.696 -9.443 7.844 1.00 0.37 C ATOM 0 H VAL A 104 11.771 -8.050 7.138 1.00 0.40 H new ATOM 0 HA VAL A 104 9.662 -9.621 5.942 1.00 0.33 H new ATOM 0 HB VAL A 104 9.487 -10.551 8.127 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.100 -9.179 10.130 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.704 -8.894 9.415 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.398 -7.711 9.169 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.211 -9.834 8.739 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.390 -8.409 7.688 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.403 -10.042 6.982 1.00 0.37 H new ATOM 1610 N VAL A 105 8.357 -7.363 5.777 1.00 0.28 N ATOM 1611 CA VAL A 105 7.934 -6.033 5.388 1.00 0.28 C ATOM 1612 C VAL A 105 6.498 -5.747 5.739 1.00 0.26 C ATOM 1613 O VAL A 105 5.573 -6.429 5.302 1.00 0.26 O ATOM 1614 CB VAL A 105 8.178 -5.759 3.909 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.248 -4.682 3.386 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.600 -5.325 3.752 1.00 0.46 C ATOM 0 H VAL A 105 7.721 -8.115 5.510 1.00 0.28 H new ATOM 0 HA VAL A 105 8.556 -5.353 5.970 1.00 0.28 H new ATOM 0 HB VAL A 105 7.982 -6.665 3.335 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.448 -4.511 2.328 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.214 -5.002 3.513 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.413 -3.758 3.941 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.804 -5.121 2.701 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.771 -4.421 4.337 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.263 -6.116 4.104 1.00 0.46 H new ATOM 1626 N ARG A 106 6.354 -4.731 6.556 1.00 0.29 N ATOM 1627 CA ARG A 106 5.081 -4.278 7.040 1.00 0.28 C ATOM 1628 C ARG A 106 4.602 -3.065 6.271 1.00 0.26 C ATOM 1629 O ARG A 106 5.350 -2.106 6.087 1.00 0.32 O ATOM 1630 CB ARG A 106 5.222 -3.925 8.502 1.00 0.35 C ATOM 1631 CG ARG A 106 5.713 -5.076 9.358 1.00 0.43 C ATOM 1632 CD ARG A 106 7.220 -5.305 9.216 1.00 0.54 C ATOM 1633 NE ARG A 106 7.853 -5.643 10.490 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.175 -5.638 10.697 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.016 -5.408 9.692 1.00 1.76 N ATOM 1636 NH2 ARG A 106 9.662 -5.889 11.904 1.00 1.46 N ATOM 0 H ARG A 106 7.141 -4.186 6.909 1.00 0.29 H new ATOM 0 HA ARG A 106 4.347 -5.073 6.904 1.00 0.28 H new ATOM 0 HB2 ARG A 106 5.914 -3.089 8.600 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.257 -3.587 8.881 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.475 -4.876 10.403 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.182 -5.986 9.079 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.397 -6.108 8.501 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.685 -4.407 8.809 1.00 0.54 H new ATOM 0 HE ARG A 106 7.248 -5.899 11.271 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.655 -5.234 8.754 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.022 -5.406 9.859 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.028 -6.087 12.679 1.00 1.46 H new ATOM 0 HH22 ARG A 106 10.670 -5.884 12.058 1.00 1.46 H new ATOM 1650 N LEU A 107 3.377 -3.103 5.820 1.00 0.24 N ATOM 1651 CA LEU A 107 2.765 -1.928 5.219 1.00 0.24 C ATOM 1652 C LEU A 107 1.352 -1.735 5.742 1.00 0.21 C ATOM 1653 O LEU A 107 0.572 -2.693 5.824 1.00 0.28 O ATOM 1654 CB LEU A 107 2.782 -1.980 3.684 1.00 0.37 C ATOM 1655 CG LEU A 107 2.238 -3.252 3.035 1.00 0.57 C ATOM 1656 CD1 LEU A 107 1.706 -2.939 1.645 1.00 0.98 C ATOM 1657 CD2 LEU A 107 3.329 -4.313 2.943 1.00 1.12 C ATOM 0 H LEU A 107 2.777 -3.927 5.853 1.00 0.24 H new ATOM 0 HA LEU A 107 3.366 -1.067 5.511 1.00 0.24 H new ATOM 0 HB2 LEU A 107 2.207 -1.134 3.308 1.00 0.37 H new ATOM 0 HB3 LEU A 107 3.810 -1.840 3.350 1.00 0.37 H new ATOM 0 HG LEU A 107 1.427 -3.637 3.653 1.00 0.57 H new ATOM 0 HD11 LEU A 107 1.320 -3.851 1.189 1.00 0.98 H new ATOM 0 HD12 LEU A 107 0.905 -2.203 1.719 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.511 -2.538 1.029 1.00 0.98 H new ATOM 0 HD21 LEU A 107 2.924 -5.212 2.478 1.00 1.12 H new ATOM 0 HD22 LEU A 107 4.155 -3.934 2.341 1.00 1.12 H new ATOM 0 HD23 LEU A 107 3.689 -4.552 3.944 1.00 1.12 H new ATOM 1669 N LEU A 108 1.011 -0.497 6.080 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.304 -0.192 6.574 1.00 0.15 C ATOM 1671 C LEU A 108 -1.098 0.347 5.411 1.00 0.15 C ATOM 1672 O LEU A 108 -0.618 1.193 4.688 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.195 0.832 7.705 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.502 1.262 8.357 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.307 0.042 8.777 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.203 2.141 9.566 1.00 0.26 C ATOM 0 H LEU A 108 1.637 0.306 6.017 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.801 -1.073 6.980 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.453 0.419 8.478 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.301 1.721 7.315 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.091 1.832 7.638 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.239 0.363 9.242 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.530 -0.566 7.900 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.730 -0.547 9.490 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.139 2.449 10.033 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.606 1.580 10.285 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.650 3.024 9.246 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.276 -0.176 5.199 1.00 0.18 N ATOM 1689 CA VAL A 109 -3.026 0.131 4.000 1.00 0.21 C ATOM 1690 C VAL A 109 -4.427 0.582 4.330 1.00 0.22 C ATOM 1691 O VAL A 109 -5.041 0.122 5.283 1.00 0.27 O ATOM 1692 CB VAL A 109 -3.065 -1.104 3.064 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.333 -1.160 2.223 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.830 -1.125 2.180 1.00 0.77 C ATOM 0 H VAL A 109 -2.742 -0.819 5.840 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.523 0.951 3.488 1.00 0.21 H new ATOM 0 HB VAL A 109 -3.071 -1.992 3.696 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.308 -2.044 1.586 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -5.202 -1.209 2.879 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.397 -0.267 1.602 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.866 -1.996 1.526 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -1.800 -0.218 1.576 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -0.937 -1.176 2.803 1.00 0.77 H new ATOM 1704 N THR A 110 -4.901 1.527 3.579 1.00 0.22 N ATOM 1705 CA THR A 110 -6.307 1.818 3.571 1.00 0.25 C ATOM 1706 C THR A 110 -6.971 1.151 2.368 1.00 0.26 C ATOM 1707 O THR A 110 -6.710 1.506 1.218 1.00 0.30 O ATOM 1708 CB THR A 110 -6.564 3.313 3.518 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.393 4.030 3.918 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.708 3.664 4.430 1.00 0.33 C ATOM 0 H THR A 110 -4.338 2.112 2.962 1.00 0.22 H new ATOM 0 HA THR A 110 -6.732 1.427 4.496 1.00 0.25 H new ATOM 0 HB THR A 110 -6.817 3.591 2.495 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.564 4.489 4.767 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.889 4.738 4.389 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.604 3.132 4.111 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.460 3.376 5.452 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.838 0.198 2.663 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.503 -0.627 1.674 1.00 0.37 C ATOM 1720 C ARG A 111 -9.909 -0.094 1.397 1.00 0.42 C ATOM 1721 O ARG A 111 -10.568 0.432 2.291 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.556 -2.056 2.208 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.506 -2.966 1.475 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.585 -4.324 2.149 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.747 -5.085 1.697 1.00 1.06 N ATOM 1726 CZ ARG A 111 -11.568 -5.750 2.513 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -11.349 -5.764 3.823 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.605 -6.414 2.017 1.00 2.01 N ATOM 0 H ARG A 111 -8.104 -0.028 3.621 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.955 -0.607 0.732 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.555 -2.484 2.161 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.841 -2.026 3.260 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.497 -2.514 1.443 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.177 -3.087 0.443 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.676 -4.888 1.939 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.635 -4.191 3.230 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.943 -5.110 0.696 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -10.549 -5.264 4.212 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -11.981 -6.274 4.440 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.775 -6.417 1.011 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -13.232 -6.922 2.642 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.360 -0.237 0.160 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.595 0.386 -0.280 1.00 0.71 C ATOM 1744 C GLN A 112 -12.474 -0.550 -1.116 1.00 0.89 C ATOM 1745 O GLN A 112 -13.521 -0.991 -0.650 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.294 1.709 -1.011 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.345 1.647 -2.214 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.177 0.690 -2.049 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.268 -0.467 -2.456 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.127 1.120 -1.365 1.00 0.66 N ATOM 0 H GLN A 112 -9.885 -0.783 -0.559 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.182 0.612 0.610 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.241 2.130 -1.349 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.875 2.407 -0.286 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.916 1.355 -3.096 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -9.955 2.647 -2.404 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.089 2.088 -1.044 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.357 0.484 -1.159 1.00 0.66 H new ATOM 1759 N SER A 113 -12.046 -0.878 -2.325 1.00 0.79 N ATOM 1760 CA SER A 113 -12.887 -1.652 -3.237 1.00 0.96 C ATOM 1761 C SER A 113 -12.057 -2.356 -4.309 1.00 0.89 C ATOM 1762 O SER A 113 -12.550 -2.662 -5.395 1.00 1.18 O ATOM 1763 CB SER A 113 -13.921 -0.723 -3.886 1.00 1.25 C ATOM 1764 OG SER A 113 -14.801 -1.435 -4.738 1.00 1.62 O ATOM 0 H SER A 113 -11.131 -0.625 -2.699 1.00 0.79 H new ATOM 0 HA SER A 113 -13.397 -2.425 -2.662 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.495 -0.218 -3.109 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.408 0.051 -4.457 1.00 1.25 H new ATOM 0 HG SER A 113 -14.297 -2.111 -5.238 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.812 -2.645 -3.987 1.00 0.90 N ATOM 1771 CA LEU A 114 -9.901 -3.253 -4.947 1.00 0.94 C ATOM 1772 C LEU A 114 -9.786 -4.764 -4.757 1.00 1.13 C ATOM 1773 O LEU A 114 -8.819 -5.385 -5.195 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.530 -2.584 -4.841 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.324 -1.413 -5.797 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.433 -1.919 -7.218 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.341 -0.306 -5.544 1.00 1.23 C ATOM 0 H LEU A 114 -10.404 -2.470 -3.069 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.307 -3.095 -5.946 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.389 -2.232 -3.819 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -7.759 -3.331 -5.030 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.334 -0.987 -5.631 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.287 -1.091 -7.911 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.670 -2.678 -7.394 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -9.420 -2.354 -7.375 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.168 0.514 -6.241 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.348 -0.697 -5.688 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -9.236 0.058 -4.522 1.00 1.23 H new