USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 713 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 95 MET CE :methyl 177:sc= -0.94 (180deg=-0.901) USER MOD Set 1.2: A 100 MET CE :methyl 175:sc= -1.05 (180deg=-0.559) USER MOD Set 2.1: A 25 GLN :FLIP amide:sc= -0.736 F(o=-5.7!,f=-4.4) USER MOD Set 2.2: A 30 HIS : no HE2:sc= -1.59! K(o=-4.4!,f=-6.1) USER MOD Set 2.3: A 37 CYS SG : rot -20:sc= -2.03! USER MOD Set 3.1: A 21 THR OG1 : rot 82:sc= 0.769 USER MOD Set 3.2: A 41 SER OG : rot 40:sc= -0.43 USER MOD Set 4.1: A 16 CYS SG : rot 72:sc= 1.46 USER MOD Set 4.2: A 59 TYR OH : rot -99:sc= 1.41 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0241 F(o=-1.6!,f=-0.024) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc=-0.00242 (180deg=-0.0873) USER MOD Single : A 19 MET CE :methyl 177:sc= -0.695 (180deg=-0.725) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 84:sc= 0.321 USER MOD Single : A 54 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.099) USER MOD Single : A 55 THR OG1 : rot -16:sc= 0.731 USER MOD Single : A 57 MET CE :methyl -163:sc= -0.0176 (180deg=-0.273) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.548 (180deg=0.543) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0239 (180deg=-0.181) USER MOD Single : A 61 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.294 K(o=0.29,f=-0.69) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.6!) USER MOD Single : A 81 ASN : amide:sc=-0.00572 K(o=-0.0057,f=-1.5) USER MOD Single : A 84 CYS SG : rot 69:sc= 0.3 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.24) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.957 17.451 -5.983 1.00 24.31 N ATOM 147 CA ALA A 11 -8.447 16.064 -6.153 1.00 20.51 C ATOM 148 C ALA A 11 -7.296 15.054 -5.917 1.00 54.12 C ATOM 149 O ALA A 11 -7.468 13.860 -6.142 1.00 52.13 O ATOM 150 CB ALA A 11 -9.070 15.854 -7.559 1.00 73.34 C ATOM 0 HA ALA A 11 -9.227 15.891 -5.412 1.00 20.51 H new ATOM 0 HB1 ALA A 11 -9.420 14.826 -7.652 1.00 73.34 H new ATOM 0 HB2 ALA A 11 -9.910 16.537 -7.691 1.00 73.34 H new ATOM 0 HB3 ALA A 11 -8.318 16.052 -8.323 1.00 73.34 H new ATOM 156 N VAL A 12 -6.143 15.544 -5.399 1.00 51.33 N ATOM 157 CA VAL A 12 -4.848 14.815 -5.465 1.00 22.51 C ATOM 158 C VAL A 12 -4.753 13.632 -4.464 1.00 31.11 C ATOM 159 O VAL A 12 -4.221 12.573 -4.821 1.00 13.33 O ATOM 160 CB VAL A 12 -3.635 15.793 -5.258 1.00 11.23 C ATOM 161 CG1 VAL A 12 -2.280 15.083 -5.516 1.00 24.33 C ATOM 162 CG2 VAL A 12 -3.780 17.055 -6.141 1.00 71.24 C ATOM 0 H VAL A 12 -6.082 16.447 -4.928 1.00 51.33 H new ATOM 0 HA VAL A 12 -4.802 14.388 -6.467 1.00 22.51 H new ATOM 0 HB VAL A 12 -3.645 16.110 -4.215 1.00 11.23 H new ATOM 0 HG11 VAL A 12 -1.464 15.790 -5.364 1.00 24.33 H new ATOM 0 HG12 VAL A 12 -2.170 14.247 -4.825 1.00 24.33 H new ATOM 0 HG13 VAL A 12 -2.253 14.713 -6.541 1.00 24.33 H new ATOM 0 HG21 VAL A 12 -2.927 17.714 -5.977 1.00 71.24 H new ATOM 0 HG22 VAL A 12 -3.817 16.763 -7.190 1.00 71.24 H new ATOM 0 HG23 VAL A 12 -4.699 17.579 -5.878 1.00 71.24 H new ATOM 172 N ARG A 13 -5.238 13.817 -3.209 1.00 65.15 N ATOM 173 CA ARG A 13 -5.350 12.693 -2.234 1.00 4.41 C ATOM 174 C ARG A 13 -6.240 11.569 -2.826 1.00 71.54 C ATOM 175 O ARG A 13 -5.844 10.410 -2.866 1.00 62.44 O ATOM 176 CB ARG A 13 -5.936 13.147 -0.848 1.00 54.34 C ATOM 177 CG ARG A 13 -4.934 13.655 0.225 1.00 30.04 C ATOM 178 CD ARG A 13 -4.346 15.050 -0.056 1.00 61.32 C ATOM 179 NE ARG A 13 -3.246 15.025 -1.036 1.00 41.21 N ATOM 180 CZ ARG A 13 -2.847 16.047 -1.750 1.00 43.42 C ATOM 181 NH1 ARG A 13 -3.547 17.135 -1.837 1.00 31.40 N ATOM 182 NH2 ARG A 13 -1.762 15.958 -2.426 1.00 60.32 N ATOM 0 H ARG A 13 -5.554 14.718 -2.849 1.00 65.15 H new ATOM 0 HA ARG A 13 -4.340 12.325 -2.056 1.00 4.41 H new ATOM 0 HB2 ARG A 13 -6.661 13.940 -1.033 1.00 54.34 H new ATOM 0 HB3 ARG A 13 -6.485 12.306 -0.424 1.00 54.34 H new ATOM 0 HG2 ARG A 13 -5.437 13.675 1.192 1.00 30.04 H new ATOM 0 HG3 ARG A 13 -4.115 12.940 0.306 1.00 30.04 H new ATOM 0 HD2 ARG A 13 -5.137 15.704 -0.423 1.00 61.32 H new ATOM 0 HD3 ARG A 13 -3.984 15.480 0.878 1.00 61.32 H new ATOM 0 HE ARG A 13 -2.756 14.140 -1.169 1.00 41.21 H new ATOM 0 HH11 ARG A 13 -4.435 17.211 -1.341 1.00 31.40 H new ATOM 0 HH12 ARG A 13 -3.210 17.915 -2.401 1.00 31.40 H new ATOM 0 HH21 ARG A 13 -1.217 15.096 -2.405 1.00 60.32 H new ATOM 0 HH22 ARG A 13 -1.443 16.749 -2.985 1.00 60.32 H new ATOM 196 N ASN A 14 -7.436 11.967 -3.299 1.00 72.32 N ATOM 197 CA ASN A 14 -8.427 11.063 -3.936 1.00 70.51 C ATOM 198 C ASN A 14 -7.849 10.362 -5.203 1.00 42.44 C ATOM 199 O ASN A 14 -8.194 9.210 -5.497 1.00 0.01 O ATOM 200 CB ASN A 14 -9.688 11.900 -4.280 1.00 34.21 C ATOM 201 CG ASN A 14 -10.821 11.107 -4.939 1.00 14.01 C ATOM 202 OD1 ASN A 14 -11.645 10.463 -4.141 1.00 62.15 O flip ATOM 203 ND2 ASN A 14 -10.948 11.072 -6.156 1.00 3.44 N flip ATOM 0 H ASN A 14 -7.750 12.936 -3.252 1.00 72.32 H new ATOM 0 HA ASN A 14 -8.686 10.263 -3.242 1.00 70.51 H new ATOM 0 HB2 ASN A 14 -10.066 12.356 -3.365 1.00 34.21 H new ATOM 0 HB3 ASN A 14 -9.398 12.714 -4.945 1.00 34.21 H new ATOM 0 HD21 ASN A 14 -10.295 11.581 -6.752 1.00 3.44 H new ATOM 0 HD22 ASN A 14 -11.707 10.534 -6.574 1.00 3.44 H new ATOM 210 N LYS A 15 -6.959 11.074 -5.925 1.00 24.44 N ATOM 211 CA LYS A 15 -6.279 10.545 -7.128 1.00 35.31 C ATOM 212 C LYS A 15 -5.196 9.511 -6.747 1.00 4.02 C ATOM 213 O LYS A 15 -4.937 8.562 -7.490 1.00 4.04 O ATOM 214 CB LYS A 15 -5.661 11.696 -7.951 1.00 4.41 C ATOM 215 CG LYS A 15 -5.130 11.259 -9.336 1.00 45.31 C ATOM 216 CD LYS A 15 -4.576 12.435 -10.163 1.00 1.43 C ATOM 217 CE LYS A 15 -4.137 12.004 -11.579 1.00 53.41 C ATOM 218 NZ LYS A 15 -3.181 10.857 -11.556 1.00 53.21 N ATOM 0 H LYS A 15 -6.691 12.030 -5.692 1.00 24.44 H new ATOM 0 HA LYS A 15 -7.026 10.040 -7.741 1.00 35.31 H new ATOM 0 HB2 LYS A 15 -6.411 12.475 -8.089 1.00 4.41 H new ATOM 0 HB3 LYS A 15 -4.843 12.139 -7.382 1.00 4.41 H new ATOM 0 HG2 LYS A 15 -4.345 10.515 -9.201 1.00 45.31 H new ATOM 0 HG3 LYS A 15 -5.934 10.777 -9.892 1.00 45.31 H new ATOM 0 HD2 LYS A 15 -5.338 13.211 -10.242 1.00 1.43 H new ATOM 0 HD3 LYS A 15 -3.727 12.875 -9.640 1.00 1.43 H new ATOM 0 HE2 LYS A 15 -5.017 11.728 -12.161 1.00 53.41 H new ATOM 0 HE3 LYS A 15 -3.672 12.850 -12.085 1.00 53.41 H new ATOM 0 HZ1 LYS A 15 -2.825 10.682 -12.518 1.00 53.21 H new ATOM 0 HZ2 LYS A 15 -2.384 11.082 -10.928 1.00 53.21 H new ATOM 0 HZ3 LYS A 15 -3.667 10.007 -11.207 1.00 53.21 H new ATOM 232 N CYS A 16 -4.558 9.718 -5.587 1.00 73.53 N ATOM 233 CA CYS A 16 -3.601 8.747 -5.024 1.00 43.44 C ATOM 234 C CYS A 16 -4.339 7.501 -4.497 1.00 23.52 C ATOM 235 O CYS A 16 -3.874 6.380 -4.706 1.00 13.31 O ATOM 236 CB CYS A 16 -2.743 9.395 -3.919 1.00 4.52 C ATOM 237 SG CYS A 16 -1.672 10.720 -4.522 1.00 61.52 S ATOM 0 H CYS A 16 -4.686 10.553 -5.015 1.00 73.53 H new ATOM 0 HA CYS A 16 -2.929 8.429 -5.821 1.00 43.44 H new ATOM 0 HB2 CYS A 16 -3.400 9.793 -3.146 1.00 4.52 H new ATOM 0 HB3 CYS A 16 -2.128 8.627 -3.450 1.00 4.52 H new ATOM 0 HG CYS A 16 -2.393 11.763 -4.812 1.00 61.52 H new ATOM 243 N ARG A 17 -5.517 7.710 -3.858 1.00 54.32 N ATOM 244 CA ARG A 17 -6.326 6.614 -3.282 1.00 43.20 C ATOM 245 C ARG A 17 -6.798 5.627 -4.369 1.00 64.12 C ATOM 246 O ARG A 17 -6.645 4.430 -4.197 1.00 72.43 O ATOM 247 CB ARG A 17 -7.546 7.153 -2.472 1.00 42.30 C ATOM 248 CG ARG A 17 -8.420 6.033 -1.839 1.00 70.25 C ATOM 249 CD ARG A 17 -9.475 6.550 -0.848 1.00 52.21 C ATOM 250 NE ARG A 17 -10.497 7.396 -1.485 1.00 74.45 N ATOM 251 CZ ARG A 17 -10.913 8.561 -1.036 1.00 72.05 C ATOM 252 NH1 ARG A 17 -10.299 9.174 -0.080 1.00 4.13 N ATOM 253 NH2 ARG A 17 -11.928 9.127 -1.577 1.00 73.41 N ATOM 0 H ARG A 17 -5.927 8.635 -3.730 1.00 54.32 H new ATOM 0 HA ARG A 17 -5.676 6.077 -2.591 1.00 43.20 H new ATOM 0 HB2 ARG A 17 -7.184 7.810 -1.681 1.00 42.30 H new ATOM 0 HB3 ARG A 17 -8.169 7.759 -3.130 1.00 42.30 H new ATOM 0 HG2 ARG A 17 -8.922 5.484 -2.636 1.00 70.25 H new ATOM 0 HG3 ARG A 17 -7.770 5.325 -1.325 1.00 70.25 H new ATOM 0 HD2 ARG A 17 -9.962 5.701 -0.368 1.00 52.21 H new ATOM 0 HD3 ARG A 17 -8.979 7.119 -0.062 1.00 52.21 H new ATOM 0 HE ARG A 17 -10.918 7.050 -2.347 1.00 74.45 H new ATOM 0 HH11 ARG A 17 -9.471 8.756 0.345 1.00 4.13 H new ATOM 0 HH12 ARG A 17 -10.642 10.076 0.250 1.00 4.13 H new ATOM 0 HH21 ARG A 17 -12.411 8.674 -2.353 1.00 73.41 H new ATOM 0 HH22 ARG A 17 -12.253 10.030 -1.231 1.00 73.41 H new ATOM 267 N GLU A 18 -7.335 6.138 -5.501 1.00 13.13 N ATOM 268 CA GLU A 18 -7.822 5.270 -6.611 1.00 54.44 C ATOM 269 C GLU A 18 -6.693 4.373 -7.192 1.00 1.12 C ATOM 270 O GLU A 18 -6.945 3.233 -7.565 1.00 60.42 O ATOM 271 CB GLU A 18 -8.475 6.113 -7.741 1.00 12.51 C ATOM 272 CG GLU A 18 -7.539 7.137 -8.406 1.00 54.54 C ATOM 273 CD GLU A 18 -8.195 7.969 -9.520 1.00 53.44 C ATOM 274 OE1 GLU A 18 -8.952 8.916 -9.206 1.00 23.03 O ATOM 275 OE2 GLU A 18 -7.965 7.681 -10.716 1.00 13.34 O ATOM 0 H GLU A 18 -7.444 7.137 -5.674 1.00 13.13 H new ATOM 0 HA GLU A 18 -8.580 4.614 -6.184 1.00 54.44 H new ATOM 0 HB2 GLU A 18 -8.853 5.436 -8.507 1.00 12.51 H new ATOM 0 HB3 GLU A 18 -9.335 6.642 -7.330 1.00 12.51 H new ATOM 0 HG2 GLU A 18 -7.158 7.813 -7.641 1.00 54.54 H new ATOM 0 HG3 GLU A 18 -6.680 6.610 -8.821 1.00 54.54 H new ATOM 282 N MET A 19 -5.453 4.909 -7.241 1.00 55.41 N ATOM 283 CA MET A 19 -4.267 4.169 -7.747 1.00 52.44 C ATOM 284 C MET A 19 -3.760 3.098 -6.732 1.00 52.51 C ATOM 285 O MET A 19 -3.441 1.966 -7.124 1.00 45.11 O ATOM 286 CB MET A 19 -3.141 5.170 -8.118 1.00 11.15 C ATOM 287 CG MET A 19 -3.495 6.158 -9.246 1.00 21.13 C ATOM 288 SD MET A 19 -2.098 7.194 -9.762 1.00 40.24 S ATOM 289 CE MET A 19 -1.672 8.067 -8.248 1.00 33.41 C ATOM 0 H MET A 19 -5.243 5.859 -6.934 1.00 55.41 H new ATOM 0 HA MET A 19 -4.568 3.625 -8.642 1.00 52.44 H new ATOM 0 HB2 MET A 19 -2.873 5.739 -7.228 1.00 11.15 H new ATOM 0 HB3 MET A 19 -2.257 4.606 -8.414 1.00 11.15 H new ATOM 0 HG2 MET A 19 -3.860 5.599 -10.107 1.00 21.13 H new ATOM 0 HG3 MET A 19 -4.311 6.800 -8.914 1.00 21.13 H new ATOM 0 HE1 MET A 19 -0.797 8.692 -8.423 1.00 33.41 H new ATOM 0 HE2 MET A 19 -2.510 8.693 -7.941 1.00 33.41 H new ATOM 0 HE3 MET A 19 -1.451 7.345 -7.462 1.00 33.41 H new ATOM 299 N LEU A 20 -3.688 3.471 -5.433 1.00 20.32 N ATOM 300 CA LEU A 20 -3.313 2.538 -4.326 1.00 31.13 C ATOM 301 C LEU A 20 -4.330 1.370 -4.215 1.00 2.33 C ATOM 302 O LEU A 20 -3.955 0.194 -4.143 1.00 3.21 O ATOM 303 CB LEU A 20 -3.256 3.307 -2.969 1.00 40.13 C ATOM 304 CG LEU A 20 -2.200 4.459 -2.846 1.00 52.52 C ATOM 305 CD1 LEU A 20 -2.397 5.273 -1.538 1.00 34.43 C ATOM 306 CD2 LEU A 20 -0.752 3.920 -2.955 1.00 22.14 C ATOM 0 H LEU A 20 -3.886 4.420 -5.116 1.00 20.32 H new ATOM 0 HA LEU A 20 -2.330 2.126 -4.553 1.00 31.13 H new ATOM 0 HB2 LEU A 20 -4.242 3.730 -2.778 1.00 40.13 H new ATOM 0 HB3 LEU A 20 -3.061 2.583 -2.178 1.00 40.13 H new ATOM 0 HG LEU A 20 -2.363 5.135 -3.685 1.00 52.52 H new ATOM 0 HD11 LEU A 20 -1.648 6.063 -1.485 1.00 34.43 H new ATOM 0 HD12 LEU A 20 -3.393 5.716 -1.532 1.00 34.43 H new ATOM 0 HD13 LEU A 20 -2.288 4.612 -0.678 1.00 34.43 H new ATOM 0 HD21 LEU A 20 -0.048 4.747 -2.865 1.00 22.14 H new ATOM 0 HD22 LEU A 20 -0.570 3.201 -2.156 1.00 22.14 H new ATOM 0 HD23 LEU A 20 -0.617 3.432 -3.920 1.00 22.14 H new ATOM 318 N THR A 21 -5.622 1.747 -4.205 1.00 71.34 N ATOM 319 CA THR A 21 -6.774 0.817 -4.176 1.00 71.10 C ATOM 320 C THR A 21 -6.801 -0.107 -5.423 1.00 20.54 C ATOM 321 O THR A 21 -7.149 -1.279 -5.315 1.00 35.20 O ATOM 322 CB THR A 21 -8.132 1.616 -4.073 1.00 70.04 C ATOM 323 OG1 THR A 21 -8.141 2.431 -2.889 1.00 31.04 O ATOM 324 CG2 THR A 21 -9.377 0.716 -4.034 1.00 73.41 C ATOM 0 H THR A 21 -5.904 2.727 -4.217 1.00 71.34 H new ATOM 0 HA THR A 21 -6.658 0.189 -3.293 1.00 71.10 H new ATOM 0 HB THR A 21 -8.182 2.222 -4.978 1.00 70.04 H new ATOM 0 HG1 THR A 21 -7.651 3.262 -3.060 1.00 31.04 H new ATOM 0 HG21 THR A 21 -10.271 1.335 -3.963 1.00 73.41 H new ATOM 0 HG22 THR A 21 -9.422 0.117 -4.944 1.00 73.41 H new ATOM 0 HG23 THR A 21 -9.322 0.057 -3.168 1.00 73.41 H new ATOM 332 N ALA A 22 -6.413 0.434 -6.601 1.00 44.32 N ATOM 333 CA ALA A 22 -6.337 -0.346 -7.867 1.00 22.40 C ATOM 334 C ALA A 22 -5.222 -1.418 -7.826 1.00 13.02 C ATOM 335 O ALA A 22 -5.337 -2.461 -8.476 1.00 33.33 O ATOM 336 CB ALA A 22 -6.134 0.588 -9.061 1.00 71.45 C ATOM 0 H ALA A 22 -6.146 1.413 -6.705 1.00 44.32 H new ATOM 0 HA ALA A 22 -7.287 -0.869 -7.981 1.00 22.40 H new ATOM 0 HB1 ALA A 22 -6.081 0.001 -9.978 1.00 71.45 H new ATOM 0 HB2 ALA A 22 -6.970 1.284 -9.124 1.00 71.45 H new ATOM 0 HB3 ALA A 22 -5.206 1.146 -8.933 1.00 71.45 H new ATOM 342 N ALA A 23 -4.135 -1.136 -7.080 1.00 44.34 N ATOM 343 CA ALA A 23 -3.080 -2.139 -6.789 1.00 43.13 C ATOM 344 C ALA A 23 -3.615 -3.243 -5.846 1.00 33.24 C ATOM 345 O ALA A 23 -3.273 -4.418 -5.989 1.00 20.54 O ATOM 346 CB ALA A 23 -1.850 -1.461 -6.174 1.00 72.31 C ATOM 0 H ALA A 23 -3.961 -0.221 -6.665 1.00 44.34 H new ATOM 0 HA ALA A 23 -2.787 -2.606 -7.729 1.00 43.13 H new ATOM 0 HB1 ALA A 23 -1.087 -2.211 -5.967 1.00 72.31 H new ATOM 0 HB2 ALA A 23 -1.454 -0.723 -6.872 1.00 72.31 H new ATOM 0 HB3 ALA A 23 -2.134 -0.966 -5.245 1.00 72.31 H new ATOM 352 N LEU A 24 -4.469 -2.838 -4.886 1.00 12.32 N ATOM 353 CA LEU A 24 -5.194 -3.769 -3.981 1.00 24.40 C ATOM 354 C LEU A 24 -6.359 -4.516 -4.717 1.00 41.42 C ATOM 355 O LEU A 24 -7.007 -5.406 -4.149 1.00 13.22 O ATOM 356 CB LEU A 24 -5.724 -2.980 -2.753 1.00 53.41 C ATOM 357 CG LEU A 24 -4.651 -2.223 -1.888 1.00 0.10 C ATOM 358 CD1 LEU A 24 -5.313 -1.332 -0.808 1.00 45.21 C ATOM 359 CD2 LEU A 24 -3.643 -3.206 -1.244 1.00 3.41 C ATOM 0 H LEU A 24 -4.680 -1.856 -4.711 1.00 12.32 H new ATOM 0 HA LEU A 24 -4.497 -4.537 -3.645 1.00 24.40 H new ATOM 0 HB2 LEU A 24 -6.454 -2.251 -3.105 1.00 53.41 H new ATOM 0 HB3 LEU A 24 -6.256 -3.676 -2.104 1.00 53.41 H new ATOM 0 HG LEU A 24 -4.099 -1.572 -2.566 1.00 0.10 H new ATOM 0 HD11 LEU A 24 -4.540 -0.825 -0.231 1.00 45.21 H new ATOM 0 HD12 LEU A 24 -5.951 -0.591 -1.289 1.00 45.21 H new ATOM 0 HD13 LEU A 24 -5.914 -1.952 -0.143 1.00 45.21 H new ATOM 0 HD21 LEU A 24 -2.917 -2.647 -0.654 1.00 3.41 H new ATOM 0 HD22 LEU A 24 -4.177 -3.903 -0.598 1.00 3.41 H new ATOM 0 HD23 LEU A 24 -3.125 -3.761 -2.026 1.00 3.41 H new ATOM 371 N GLN A 25 -6.634 -4.099 -5.978 1.00 63.54 N ATOM 372 CA GLN A 25 -7.605 -4.753 -6.897 1.00 42.23 C ATOM 373 C GLN A 25 -6.909 -5.229 -8.201 1.00 61.31 C ATOM 374 O GLN A 25 -7.582 -5.413 -9.223 1.00 40.44 O ATOM 375 CB GLN A 25 -8.755 -3.763 -7.265 1.00 2.42 C ATOM 376 CG GLN A 25 -9.537 -3.203 -6.069 1.00 34.12 C ATOM 377 CD GLN A 25 -10.685 -2.275 -6.472 1.00 73.11 C ATOM 378 OE1 GLN A 25 -10.387 -1.012 -6.668 1.00 34.34 O flip ATOM 379 NE2 GLN A 25 -11.825 -2.701 -6.632 1.00 0.32 N flip ATOM 0 H GLN A 25 -6.181 -3.285 -6.394 1.00 63.54 H new ATOM 0 HA GLN A 25 -8.016 -5.620 -6.380 1.00 42.23 H new ATOM 0 HB2 GLN A 25 -8.331 -2.929 -7.825 1.00 2.42 H new ATOM 0 HB3 GLN A 25 -9.453 -4.272 -7.930 1.00 2.42 H new ATOM 0 HG2 GLN A 25 -9.938 -4.032 -5.487 1.00 34.12 H new ATOM 0 HG3 GLN A 25 -8.851 -2.659 -5.419 1.00 34.12 H new ATOM 0 HE21 GLN A 25 -12.028 -3.688 -6.472 1.00 0.32 H new ATOM 0 HE22 GLN A 25 -12.570 -2.068 -6.925 1.00 0.32 H new ATOM 388 N THR A 26 -5.573 -5.456 -8.150 1.00 20.21 N ATOM 389 CA THR A 26 -4.760 -5.837 -9.350 1.00 22.44 C ATOM 390 C THR A 26 -5.259 -7.154 -10.017 1.00 74.24 C ATOM 391 O THR A 26 -5.146 -7.334 -11.235 1.00 51.31 O ATOM 392 CB THR A 26 -3.221 -5.944 -9.023 1.00 42.24 C ATOM 393 OG1 THR A 26 -2.462 -6.190 -10.227 1.00 5.00 O ATOM 394 CG2 THR A 26 -2.892 -7.038 -7.987 1.00 41.10 C ATOM 0 H THR A 26 -5.027 -5.383 -7.291 1.00 20.21 H new ATOM 0 HA THR A 26 -4.899 -5.026 -10.064 1.00 22.44 H new ATOM 0 HB THR A 26 -2.941 -4.985 -8.587 1.00 42.24 H new ATOM 0 HG1 THR A 26 -1.509 -6.252 -10.006 1.00 5.00 H new ATOM 0 HG21 THR A 26 -1.817 -7.058 -7.808 1.00 41.10 H new ATOM 0 HG22 THR A 26 -3.411 -6.823 -7.053 1.00 41.10 H new ATOM 0 HG23 THR A 26 -3.215 -8.007 -8.367 1.00 41.10 H new ATOM 402 N ASP A 27 -5.828 -8.052 -9.195 1.00 62.43 N ATOM 403 CA ASP A 27 -6.539 -9.263 -9.658 1.00 41.15 C ATOM 404 C ASP A 27 -7.890 -9.393 -8.888 1.00 32.10 C ATOM 405 O ASP A 27 -8.364 -10.493 -8.605 1.00 61.24 O ATOM 406 CB ASP A 27 -5.607 -10.497 -9.465 1.00 2.22 C ATOM 407 CG ASP A 27 -6.083 -11.797 -10.147 1.00 22.13 C ATOM 408 OD1 ASP A 27 -6.874 -11.740 -11.121 1.00 31.00 O ATOM 409 OD2 ASP A 27 -5.635 -12.884 -9.732 1.00 21.45 O ATOM 0 H ASP A 27 -5.809 -7.959 -8.179 1.00 62.43 H new ATOM 0 HA ASP A 27 -6.782 -9.199 -10.719 1.00 41.15 H new ATOM 0 HB2 ASP A 27 -4.617 -10.247 -9.847 1.00 2.22 H new ATOM 0 HB3 ASP A 27 -5.498 -10.686 -8.397 1.00 2.22 H new ATOM 414 N HIS A 28 -8.508 -8.220 -8.591 1.00 53.53 N ATOM 415 CA HIS A 28 -9.785 -8.096 -7.822 1.00 1.44 C ATOM 416 C HIS A 28 -9.669 -8.731 -6.411 1.00 33.03 C ATOM 417 O HIS A 28 -10.654 -9.203 -5.844 1.00 15.15 O ATOM 418 CB HIS A 28 -10.974 -8.713 -8.621 1.00 74.24 C ATOM 419 CG HIS A 28 -11.191 -8.101 -9.974 1.00 2.51 C ATOM 420 ND1 HIS A 28 -11.403 -8.839 -11.116 1.00 50.41 N ATOM 421 CD2 HIS A 28 -11.258 -6.808 -10.352 1.00 62.54 C ATOM 422 CE1 HIS A 28 -11.581 -8.027 -12.136 1.00 40.24 C ATOM 423 NE2 HIS A 28 -11.497 -6.789 -11.704 1.00 70.24 N ATOM 0 H HIS A 28 -8.131 -7.318 -8.881 1.00 53.53 H new ATOM 0 HA HIS A 28 -9.984 -7.033 -7.682 1.00 1.44 H new ATOM 0 HB2 HIS A 28 -10.799 -9.782 -8.742 1.00 74.24 H new ATOM 0 HB3 HIS A 28 -11.886 -8.604 -8.035 1.00 74.24 H new ATOM 0 HD2 HIS A 28 -11.145 -5.947 -9.710 1.00 62.54 H new ATOM 0 HE1 HIS A 28 -11.765 -8.328 -13.157 1.00 40.24 H new ATOM 0 HE2 HIS A 28 -11.593 -5.952 -12.278 1.00 70.24 H new ATOM 432 N ASP A 29 -8.462 -8.635 -5.841 1.00 41.21 N ATOM 433 CA ASP A 29 -8.006 -9.444 -4.679 1.00 50.23 C ATOM 434 C ASP A 29 -8.895 -9.266 -3.426 1.00 21.44 C ATOM 435 O ASP A 29 -9.281 -10.247 -2.780 1.00 32.32 O ATOM 436 CB ASP A 29 -6.540 -9.067 -4.350 1.00 32.23 C ATOM 437 CG ASP A 29 -5.678 -8.939 -5.612 1.00 31.33 C ATOM 438 OD1 ASP A 29 -5.132 -9.954 -6.092 1.00 74.20 O ATOM 439 OD2 ASP A 29 -5.571 -7.809 -6.146 1.00 1.21 O ATOM 0 H ASP A 29 -7.752 -7.982 -6.173 1.00 41.21 H new ATOM 0 HA ASP A 29 -8.082 -10.494 -4.960 1.00 50.23 H new ATOM 0 HB2 ASP A 29 -6.523 -8.124 -3.803 1.00 32.23 H new ATOM 0 HB3 ASP A 29 -6.110 -9.824 -3.694 1.00 32.23 H new ATOM 444 N HIS A 30 -9.225 -7.996 -3.120 1.00 33.51 N ATOM 445 CA HIS A 30 -10.011 -7.610 -1.923 1.00 44.41 C ATOM 446 C HIS A 30 -11.421 -8.275 -1.873 1.00 44.30 C ATOM 447 O HIS A 30 -12.014 -8.385 -0.804 1.00 22.42 O ATOM 448 CB HIS A 30 -10.137 -6.065 -1.854 1.00 71.25 C ATOM 449 CG HIS A 30 -11.225 -5.476 -2.719 1.00 70.51 C ATOM 450 ND1 HIS A 30 -12.339 -4.847 -2.203 1.00 4.14 N ATOM 451 CD2 HIS A 30 -11.357 -5.408 -4.062 1.00 33.44 C ATOM 452 CE1 HIS A 30 -13.098 -4.426 -3.186 1.00 13.34 C ATOM 453 NE2 HIS A 30 -12.528 -4.750 -4.322 1.00 15.41 N ATOM 0 H HIS A 30 -8.954 -7.201 -3.698 1.00 33.51 H new ATOM 0 HA HIS A 30 -9.468 -7.978 -1.052 1.00 44.41 H new ATOM 0 HB2 HIS A 30 -10.320 -5.776 -0.819 1.00 71.25 H new ATOM 0 HB3 HIS A 30 -9.183 -5.624 -2.145 1.00 71.25 H new ATOM 0 HD1 HIS A 30 -12.541 -4.728 -1.210 1.00 4.14 H new ATOM 0 HD2 HIS A 30 -10.667 -5.800 -4.794 1.00 33.44 H new ATOM 0 HE1 HIS A 30 -14.035 -3.901 -3.078 1.00 13.34 H new ATOM 462 N VAL A 31 -11.948 -8.678 -3.052 1.00 23.04 N ATOM 463 CA VAL A 31 -13.263 -9.352 -3.168 1.00 12.14 C ATOM 464 C VAL A 31 -13.201 -10.777 -2.560 1.00 33.32 C ATOM 465 O VAL A 31 -13.981 -11.116 -1.664 1.00 34.21 O ATOM 466 CB VAL A 31 -13.735 -9.434 -4.676 1.00 14.21 C ATOM 467 CG1 VAL A 31 -15.131 -10.091 -4.809 1.00 74.41 C ATOM 468 CG2 VAL A 31 -13.719 -8.034 -5.343 1.00 24.43 C ATOM 0 H VAL A 31 -11.476 -8.546 -3.947 1.00 23.04 H new ATOM 0 HA VAL A 31 -13.988 -8.757 -2.612 1.00 12.14 H new ATOM 0 HB VAL A 31 -13.023 -10.071 -5.201 1.00 14.21 H new ATOM 0 HG11 VAL A 31 -15.417 -10.128 -5.860 1.00 74.41 H new ATOM 0 HG12 VAL A 31 -15.096 -11.104 -4.407 1.00 74.41 H new ATOM 0 HG13 VAL A 31 -15.863 -9.505 -4.254 1.00 74.41 H new ATOM 0 HG21 VAL A 31 -14.048 -8.121 -6.379 1.00 24.43 H new ATOM 0 HG22 VAL A 31 -14.391 -7.366 -4.804 1.00 24.43 H new ATOM 0 HG23 VAL A 31 -12.707 -7.630 -5.316 1.00 24.43 H new ATOM 478 N ALA A 32 -12.235 -11.583 -3.044 1.00 33.21 N ATOM 479 CA ALA A 32 -12.031 -12.982 -2.592 1.00 24.24 C ATOM 480 C ALA A 32 -11.519 -13.054 -1.128 1.00 70.20 C ATOM 481 O ALA A 32 -11.801 -14.020 -0.411 1.00 1.43 O ATOM 482 CB ALA A 32 -11.061 -13.698 -3.546 1.00 52.23 C ATOM 0 H ALA A 32 -11.572 -11.286 -3.760 1.00 33.21 H new ATOM 0 HA ALA A 32 -12.997 -13.487 -2.613 1.00 24.24 H new ATOM 0 HB1 ALA A 32 -10.913 -14.725 -3.211 1.00 52.23 H new ATOM 0 HB2 ALA A 32 -11.477 -13.701 -4.553 1.00 52.23 H new ATOM 0 HB3 ALA A 32 -10.104 -13.177 -3.550 1.00 52.23 H new ATOM 488 N ILE A 33 -10.756 -12.028 -0.706 1.00 60.24 N ATOM 489 CA ILE A 33 -10.263 -11.894 0.690 1.00 70.22 C ATOM 490 C ILE A 33 -11.374 -11.336 1.639 1.00 70.41 C ATOM 491 O ILE A 33 -11.430 -11.687 2.822 1.00 41.02 O ATOM 492 CB ILE A 33 -8.973 -10.981 0.731 1.00 53.23 C ATOM 493 CG1 ILE A 33 -7.833 -11.619 -0.143 1.00 74.51 C ATOM 494 CG2 ILE A 33 -8.478 -10.724 2.181 1.00 22.34 C ATOM 495 CD1 ILE A 33 -6.544 -10.815 -0.225 1.00 51.15 C ATOM 0 H ILE A 33 -10.461 -11.267 -1.317 1.00 60.24 H new ATOM 0 HA ILE A 33 -9.997 -12.888 1.051 1.00 70.22 H new ATOM 0 HB ILE A 33 -9.243 -10.011 0.314 1.00 53.23 H new ATOM 0 HG12 ILE A 33 -7.601 -12.606 0.258 1.00 74.51 H new ATOM 0 HG13 ILE A 33 -8.213 -11.767 -1.154 1.00 74.51 H new ATOM 0 HG21 ILE A 33 -7.590 -10.092 2.156 1.00 22.34 H new ATOM 0 HG22 ILE A 33 -9.262 -10.225 2.750 1.00 22.34 H new ATOM 0 HG23 ILE A 33 -8.234 -11.674 2.656 1.00 22.34 H new ATOM 0 HD11 ILE A 33 -5.825 -11.343 -0.851 1.00 51.15 H new ATOM 0 HD12 ILE A 33 -6.752 -9.837 -0.658 1.00 51.15 H new ATOM 0 HD13 ILE A 33 -6.130 -10.688 0.775 1.00 51.15 H new ATOM 507 N GLY A 34 -12.259 -10.481 1.096 1.00 52.23 N ATOM 508 CA GLY A 34 -13.360 -9.880 1.872 1.00 4.01 C ATOM 509 C GLY A 34 -12.928 -8.693 2.745 1.00 32.24 C ATOM 510 O GLY A 34 -13.222 -8.650 3.945 1.00 3.35 O ATOM 0 H GLY A 34 -12.233 -10.189 0.119 1.00 52.23 H new ATOM 0 HA2 GLY A 34 -14.138 -9.549 1.184 1.00 4.01 H new ATOM 0 HA3 GLY A 34 -13.803 -10.645 2.509 1.00 4.01 H new ATOM 514 N ALA A 35 -12.221 -7.729 2.131 1.00 2.33 N ATOM 515 CA ALA A 35 -11.762 -6.488 2.806 1.00 72.02 C ATOM 516 C ALA A 35 -12.010 -5.265 1.903 1.00 42.15 C ATOM 517 O ALA A 35 -11.768 -5.330 0.700 1.00 32.34 O ATOM 518 CB ALA A 35 -10.267 -6.589 3.153 1.00 53.42 C ATOM 0 H ALA A 35 -11.947 -7.782 1.150 1.00 2.33 H new ATOM 0 HA ALA A 35 -12.330 -6.367 3.728 1.00 72.02 H new ATOM 0 HB1 ALA A 35 -9.945 -5.672 3.647 1.00 53.42 H new ATOM 0 HB2 ALA A 35 -10.105 -7.436 3.819 1.00 53.42 H new ATOM 0 HB3 ALA A 35 -9.690 -6.730 2.239 1.00 53.42 H new ATOM 524 N ASP A 36 -12.507 -4.155 2.481 1.00 23.14 N ATOM 525 CA ASP A 36 -12.653 -2.881 1.746 1.00 34.40 C ATOM 526 C ASP A 36 -11.278 -2.208 1.533 1.00 5.02 C ATOM 527 O ASP A 36 -10.751 -1.531 2.423 1.00 32.33 O ATOM 528 CB ASP A 36 -13.640 -1.930 2.459 1.00 43.44 C ATOM 529 CG ASP A 36 -15.075 -2.460 2.417 1.00 61.33 C ATOM 530 OD1 ASP A 36 -15.699 -2.403 1.331 1.00 2.31 O ATOM 531 OD2 ASP A 36 -15.581 -2.948 3.447 1.00 20.32 O ATOM 0 H ASP A 36 -12.814 -4.113 3.453 1.00 23.14 H new ATOM 0 HA ASP A 36 -13.071 -3.107 0.765 1.00 34.40 H new ATOM 0 HB2 ASP A 36 -13.332 -1.798 3.496 1.00 43.44 H new ATOM 0 HB3 ASP A 36 -13.602 -0.948 1.988 1.00 43.44 H new ATOM 536 N CYS A 37 -10.714 -2.419 0.333 1.00 3.45 N ATOM 537 CA CYS A 37 -9.389 -1.892 -0.068 1.00 61.14 C ATOM 538 C CYS A 37 -9.363 -0.350 -0.107 1.00 25.22 C ATOM 539 O CYS A 37 -8.340 0.258 0.185 1.00 5.54 O ATOM 540 CB CYS A 37 -9.036 -2.464 -1.450 1.00 64.14 C ATOM 541 SG CYS A 37 -10.318 -2.203 -2.691 1.00 4.23 S ATOM 0 H CYS A 37 -11.167 -2.967 -0.399 1.00 3.45 H new ATOM 0 HA CYS A 37 -8.653 -2.200 0.675 1.00 61.14 H new ATOM 0 HB2 CYS A 37 -8.109 -2.007 -1.796 1.00 64.14 H new ATOM 0 HB3 CYS A 37 -8.848 -3.533 -1.354 1.00 64.14 H new ATOM 0 HG CYS A 37 -11.452 -1.966 -2.101 1.00 4.23 H new ATOM 547 N GLU A 38 -10.505 0.257 -0.475 1.00 14.23 N ATOM 548 CA GLU A 38 -10.697 1.731 -0.460 1.00 70.23 C ATOM 549 C GLU A 38 -10.645 2.311 0.983 1.00 1.40 C ATOM 550 O GLU A 38 -10.149 3.421 1.197 1.00 34.12 O ATOM 551 CB GLU A 38 -12.050 2.074 -1.137 1.00 61.00 C ATOM 552 CG GLU A 38 -13.269 1.387 -0.482 1.00 31.13 C ATOM 553 CD GLU A 38 -14.605 1.730 -1.155 1.00 30.52 C ATOM 554 OE1 GLU A 38 -15.188 2.787 -0.828 1.00 4.32 O ATOM 555 OE2 GLU A 38 -15.073 0.950 -2.016 1.00 65.44 O ATOM 0 H GLU A 38 -11.327 -0.256 -0.793 1.00 14.23 H new ATOM 0 HA GLU A 38 -9.878 2.190 -1.015 1.00 70.23 H new ATOM 0 HB2 GLU A 38 -12.196 3.154 -1.109 1.00 61.00 H new ATOM 0 HB3 GLU A 38 -12.003 1.785 -2.187 1.00 61.00 H new ATOM 0 HG2 GLU A 38 -13.125 0.307 -0.510 1.00 31.13 H new ATOM 0 HG3 GLU A 38 -13.317 1.675 0.568 1.00 31.13 H new ATOM 562 N ARG A 39 -11.166 1.533 1.959 1.00 51.14 N ATOM 563 CA ARG A 39 -11.173 1.906 3.394 1.00 23.25 C ATOM 564 C ARG A 39 -9.734 1.844 3.955 1.00 23.22 C ATOM 565 O ARG A 39 -9.304 2.736 4.696 1.00 32.41 O ATOM 566 CB ARG A 39 -12.151 0.954 4.166 1.00 13.22 C ATOM 567 CG ARG A 39 -12.511 1.330 5.634 1.00 62.33 C ATOM 568 CD ARG A 39 -11.438 0.958 6.677 1.00 52.01 C ATOM 569 NE ARG A 39 -11.860 1.310 8.042 1.00 62.41 N ATOM 570 CZ ARG A 39 -11.074 1.414 9.095 1.00 12.21 C ATOM 571 NH1 ARG A 39 -9.793 1.235 9.003 1.00 21.51 N ATOM 572 NH2 ARG A 39 -11.577 1.704 10.245 1.00 13.13 N ATOM 0 H ARG A 39 -11.595 0.626 1.774 1.00 51.14 H new ATOM 0 HA ARG A 39 -11.528 2.929 3.522 1.00 23.25 H new ATOM 0 HB2 ARG A 39 -13.079 0.892 3.597 1.00 13.22 H new ATOM 0 HB3 ARG A 39 -11.714 -0.044 4.172 1.00 13.22 H new ATOM 0 HG2 ARG A 39 -12.691 2.404 5.686 1.00 62.33 H new ATOM 0 HG3 ARG A 39 -13.445 0.837 5.902 1.00 62.33 H new ATOM 0 HD2 ARG A 39 -11.234 -0.111 6.624 1.00 52.01 H new ATOM 0 HD3 ARG A 39 -10.507 1.472 6.440 1.00 52.01 H new ATOM 0 HE ARG A 39 -12.853 1.490 8.187 1.00 62.41 H new ATOM 0 HH11 ARG A 39 -9.373 1.008 8.101 1.00 21.51 H new ATOM 0 HH12 ARG A 39 -9.205 1.321 9.832 1.00 21.51 H new ATOM 0 HH21 ARG A 39 -12.582 1.853 10.339 1.00 13.13 H new ATOM 0 HH22 ARG A 39 -10.971 1.785 11.061 1.00 13.13 H new ATOM 586 N LEU A 40 -9.006 0.772 3.588 1.00 13.42 N ATOM 587 CA LEU A 40 -7.589 0.597 3.965 1.00 21.55 C ATOM 588 C LEU A 40 -6.722 1.714 3.358 1.00 20.23 C ATOM 589 O LEU A 40 -5.903 2.307 4.051 1.00 2.23 O ATOM 590 CB LEU A 40 -7.066 -0.790 3.508 1.00 64.10 C ATOM 591 CG LEU A 40 -7.852 -2.033 4.035 1.00 11.12 C ATOM 592 CD1 LEU A 40 -7.208 -3.347 3.550 1.00 20.51 C ATOM 593 CD2 LEU A 40 -7.987 -2.012 5.577 1.00 71.42 C ATOM 0 H LEU A 40 -9.380 0.007 3.026 1.00 13.42 H new ATOM 0 HA LEU A 40 -7.521 0.654 5.051 1.00 21.55 H new ATOM 0 HB2 LEU A 40 -7.074 -0.817 2.418 1.00 64.10 H new ATOM 0 HB3 LEU A 40 -6.026 -0.884 3.822 1.00 64.10 H new ATOM 0 HG LEU A 40 -8.858 -1.981 3.620 1.00 11.12 H new ATOM 0 HD11 LEU A 40 -7.777 -4.194 3.933 1.00 20.51 H new ATOM 0 HD12 LEU A 40 -7.209 -3.372 2.460 1.00 20.51 H new ATOM 0 HD13 LEU A 40 -6.182 -3.405 3.913 1.00 20.51 H new ATOM 0 HD21 LEU A 40 -8.539 -2.892 5.906 1.00 71.42 H new ATOM 0 HD22 LEU A 40 -6.995 -2.016 6.029 1.00 71.42 H new ATOM 0 HD23 LEU A 40 -8.522 -1.113 5.883 1.00 71.42 H new ATOM 605 N SER A 41 -6.960 2.006 2.061 1.00 60.13 N ATOM 606 CA SER A 41 -6.231 3.051 1.303 1.00 23.01 C ATOM 607 C SER A 41 -6.494 4.459 1.863 1.00 52.40 C ATOM 608 O SER A 41 -5.628 5.322 1.774 1.00 13.41 O ATOM 609 CB SER A 41 -6.601 2.997 -0.193 1.00 4.35 C ATOM 610 OG SER A 41 -5.834 3.915 -0.974 1.00 33.34 O ATOM 0 H SER A 41 -7.666 1.522 1.506 1.00 60.13 H new ATOM 0 HA SER A 41 -5.167 2.844 1.415 1.00 23.01 H new ATOM 0 HB2 SER A 41 -6.444 1.985 -0.568 1.00 4.35 H new ATOM 0 HB3 SER A 41 -7.661 3.220 -0.311 1.00 4.35 H new ATOM 0 HG SER A 41 -4.907 3.921 -0.655 1.00 33.34 H new ATOM 616 N ALA A 42 -7.698 4.671 2.430 1.00 52.43 N ATOM 617 CA ALA A 42 -8.059 5.931 3.118 1.00 31.50 C ATOM 618 C ALA A 42 -7.195 6.164 4.383 1.00 21.45 C ATOM 619 O ALA A 42 -6.770 7.291 4.672 1.00 33.34 O ATOM 620 CB ALA A 42 -9.556 5.928 3.459 1.00 53.34 C ATOM 0 H ALA A 42 -8.446 3.978 2.425 1.00 52.43 H new ATOM 0 HA ALA A 42 -7.854 6.760 2.441 1.00 31.50 H new ATOM 0 HB1 ALA A 42 -9.816 6.858 3.965 1.00 53.34 H new ATOM 0 HB2 ALA A 42 -10.138 5.839 2.542 1.00 53.34 H new ATOM 0 HB3 ALA A 42 -9.779 5.085 4.113 1.00 53.34 H new ATOM 626 N GLN A 43 -6.939 5.072 5.124 1.00 24.32 N ATOM 627 CA GLN A 43 -6.051 5.086 6.310 1.00 73.41 C ATOM 628 C GLN A 43 -4.561 5.199 5.887 1.00 0.23 C ATOM 629 O GLN A 43 -3.748 5.805 6.590 1.00 21.11 O ATOM 630 CB GLN A 43 -6.285 3.804 7.154 1.00 72.33 C ATOM 631 CG GLN A 43 -7.740 3.569 7.604 1.00 33.23 C ATOM 632 CD GLN A 43 -8.288 4.674 8.514 1.00 53.44 C ATOM 633 OE1 GLN A 43 -8.866 5.654 8.057 1.00 54.05 O ATOM 634 NE2 GLN A 43 -8.107 4.527 9.805 1.00 62.13 N ATOM 0 H GLN A 43 -7.338 4.155 4.922 1.00 24.32 H new ATOM 0 HA GLN A 43 -6.291 5.959 6.916 1.00 73.41 H new ATOM 0 HB2 GLN A 43 -5.958 2.942 6.573 1.00 72.33 H new ATOM 0 HB3 GLN A 43 -5.651 3.851 8.040 1.00 72.33 H new ATOM 0 HG2 GLN A 43 -8.375 3.488 6.722 1.00 33.23 H new ATOM 0 HG3 GLN A 43 -7.800 2.615 8.128 1.00 33.23 H new ATOM 0 HE21 GLN A 43 -7.623 3.703 10.162 1.00 62.13 H new ATOM 0 HE22 GLN A 43 -8.450 5.237 10.452 1.00 62.13 H new ATOM 643 N ILE A 44 -4.228 4.599 4.726 1.00 44.14 N ATOM 644 CA ILE A 44 -2.891 4.701 4.097 1.00 1.04 C ATOM 645 C ILE A 44 -2.560 6.164 3.714 1.00 20.44 C ATOM 646 O ILE A 44 -1.420 6.596 3.896 1.00 22.04 O ATOM 647 CB ILE A 44 -2.793 3.764 2.818 1.00 24.44 C ATOM 648 CG1 ILE A 44 -2.826 2.250 3.225 1.00 61.10 C ATOM 649 CG2 ILE A 44 -1.547 4.077 1.955 1.00 53.40 C ATOM 650 CD1 ILE A 44 -2.941 1.259 2.070 1.00 64.24 C ATOM 0 H ILE A 44 -4.882 4.026 4.193 1.00 44.14 H new ATOM 0 HA ILE A 44 -2.158 4.366 4.831 1.00 1.04 H new ATOM 0 HB ILE A 44 -3.668 3.974 2.203 1.00 24.44 H new ATOM 0 HG12 ILE A 44 -1.919 2.023 3.786 1.00 61.10 H new ATOM 0 HG13 ILE A 44 -3.667 2.092 3.901 1.00 61.10 H new ATOM 0 HG21 ILE A 44 -1.525 3.410 1.093 1.00 53.40 H new ATOM 0 HG22 ILE A 44 -1.592 5.111 1.613 1.00 53.40 H new ATOM 0 HG23 ILE A 44 -0.646 3.930 2.550 1.00 53.40 H new ATOM 0 HD11 ILE A 44 -2.955 0.242 2.463 1.00 64.24 H new ATOM 0 HD12 ILE A 44 -3.862 1.448 1.519 1.00 64.24 H new ATOM 0 HD13 ILE A 44 -2.088 1.378 1.402 1.00 64.24 H new ATOM 662 N GLU A 45 -3.570 6.910 3.199 1.00 31.41 N ATOM 663 CA GLU A 45 -3.410 8.324 2.763 1.00 33.22 C ATOM 664 C GLU A 45 -2.782 9.213 3.863 1.00 35.24 C ATOM 665 O GLU A 45 -1.829 9.935 3.594 1.00 22.11 O ATOM 666 CB GLU A 45 -4.770 8.939 2.331 1.00 61.24 C ATOM 667 CG GLU A 45 -5.355 8.418 1.002 1.00 75.40 C ATOM 668 CD GLU A 45 -6.733 9.036 0.681 1.00 65.54 C ATOM 669 OE1 GLU A 45 -7.751 8.566 1.220 1.00 44.44 O ATOM 670 OE2 GLU A 45 -6.802 9.999 -0.093 1.00 10.22 O ATOM 0 H GLU A 45 -4.516 6.551 3.074 1.00 31.41 H new ATOM 0 HA GLU A 45 -2.732 8.300 1.910 1.00 33.22 H new ATOM 0 HB2 GLU A 45 -5.497 8.755 3.122 1.00 61.24 H new ATOM 0 HB3 GLU A 45 -4.649 10.020 2.253 1.00 61.24 H new ATOM 0 HG2 GLU A 45 -4.662 8.642 0.191 1.00 75.40 H new ATOM 0 HG3 GLU A 45 -5.449 7.333 1.050 1.00 75.40 H new ATOM 677 N GLU A 46 -3.332 9.150 5.095 1.00 12.01 N ATOM 678 CA GLU A 46 -2.835 9.959 6.239 1.00 62.23 C ATOM 679 C GLU A 46 -1.479 9.428 6.773 1.00 70.43 C ATOM 680 O GLU A 46 -0.633 10.206 7.218 1.00 34.23 O ATOM 681 CB GLU A 46 -3.913 10.047 7.364 1.00 35.11 C ATOM 682 CG GLU A 46 -4.283 8.714 8.079 1.00 42.42 C ATOM 683 CD GLU A 46 -3.648 8.571 9.483 1.00 51.24 C ATOM 684 OE1 GLU A 46 -2.479 8.154 9.588 1.00 21.02 O ATOM 685 OE2 GLU A 46 -4.313 8.895 10.490 1.00 20.31 O ATOM 0 H GLU A 46 -4.122 8.548 5.327 1.00 12.01 H new ATOM 0 HA GLU A 46 -2.651 10.971 5.879 1.00 62.23 H new ATOM 0 HB2 GLU A 46 -3.563 10.752 8.118 1.00 35.11 H new ATOM 0 HB3 GLU A 46 -4.822 10.467 6.933 1.00 35.11 H new ATOM 0 HG2 GLU A 46 -5.367 8.649 8.171 1.00 42.42 H new ATOM 0 HG3 GLU A 46 -3.965 7.877 7.458 1.00 42.42 H new ATOM 692 N CYS A 47 -1.286 8.094 6.704 1.00 12.11 N ATOM 693 CA CYS A 47 -0.058 7.419 7.194 1.00 33.43 C ATOM 694 C CYS A 47 1.177 7.714 6.312 1.00 11.33 C ATOM 695 O CYS A 47 2.304 7.788 6.811 1.00 74.12 O ATOM 696 CB CYS A 47 -0.299 5.904 7.289 1.00 5.21 C ATOM 697 SG CYS A 47 -1.565 5.431 8.490 1.00 54.53 S ATOM 0 H CYS A 47 -1.973 7.453 6.308 1.00 12.11 H new ATOM 0 HA CYS A 47 0.160 7.820 8.184 1.00 33.43 H new ATOM 0 HB2 CYS A 47 -0.588 5.531 6.307 1.00 5.21 H new ATOM 0 HB3 CYS A 47 0.638 5.414 7.553 1.00 5.21 H new ATOM 0 HG CYS A 47 -2.739 5.516 7.939 1.00 54.53 H new ATOM 703 N ILE A 48 0.957 7.854 4.994 1.00 62.34 N ATOM 704 CA ILE A 48 2.017 8.240 4.039 1.00 1.22 C ATOM 705 C ILE A 48 2.176 9.790 4.032 1.00 53.32 C ATOM 706 O ILE A 48 3.274 10.307 3.880 1.00 71.33 O ATOM 707 CB ILE A 48 1.721 7.658 2.591 1.00 22.01 C ATOM 708 CG1 ILE A 48 2.986 7.734 1.671 1.00 2.24 C ATOM 709 CG2 ILE A 48 0.503 8.352 1.919 1.00 32.41 C ATOM 710 CD1 ILE A 48 2.829 7.086 0.299 1.00 34.32 C ATOM 0 H ILE A 48 0.046 7.705 4.560 1.00 62.34 H new ATOM 0 HA ILE A 48 2.965 7.806 4.358 1.00 1.22 H new ATOM 0 HB ILE A 48 1.464 6.607 2.723 1.00 22.01 H new ATOM 0 HG12 ILE A 48 3.253 8.782 1.532 1.00 2.24 H new ATOM 0 HG13 ILE A 48 3.820 7.258 2.187 1.00 2.24 H new ATOM 0 HG21 ILE A 48 0.338 7.922 0.931 1.00 32.41 H new ATOM 0 HG22 ILE A 48 -0.385 8.202 2.533 1.00 32.41 H new ATOM 0 HG23 ILE A 48 0.701 9.419 1.821 1.00 32.41 H new ATOM 0 HD11 ILE A 48 3.758 7.191 -0.262 1.00 34.32 H new ATOM 0 HD12 ILE A 48 2.597 6.028 0.421 1.00 34.32 H new ATOM 0 HD13 ILE A 48 2.020 7.575 -0.244 1.00 34.32 H new ATOM 722 N PHE A 49 1.057 10.510 4.299 1.00 20.02 N ATOM 723 CA PHE A 49 1.004 12.003 4.361 1.00 30.33 C ATOM 724 C PHE A 49 1.982 12.603 5.412 1.00 41.51 C ATOM 725 O PHE A 49 2.412 13.757 5.274 1.00 70.34 O ATOM 726 CB PHE A 49 -0.454 12.451 4.666 1.00 22.13 C ATOM 727 CG PHE A 49 -0.708 13.963 4.682 1.00 44.45 C ATOM 728 CD1 PHE A 49 -0.821 14.675 3.490 1.00 30.32 C ATOM 729 CD2 PHE A 49 -0.846 14.665 5.881 1.00 34.24 C ATOM 730 CE1 PHE A 49 -1.062 16.036 3.492 1.00 34.21 C ATOM 731 CE2 PHE A 49 -1.084 16.025 5.882 1.00 74.52 C ATOM 732 CZ PHE A 49 -1.194 16.711 4.686 1.00 23.32 C ATOM 0 H PHE A 49 0.154 10.071 4.480 1.00 20.02 H new ATOM 0 HA PHE A 49 1.324 12.383 3.391 1.00 30.33 H new ATOM 0 HB2 PHE A 49 -1.113 12.001 3.924 1.00 22.13 H new ATOM 0 HB3 PHE A 49 -0.741 12.045 5.636 1.00 22.13 H new ATOM 0 HD1 PHE A 49 -0.719 14.155 2.549 1.00 30.32 H new ATOM 0 HD2 PHE A 49 -0.766 14.137 6.820 1.00 34.24 H new ATOM 0 HE1 PHE A 49 -1.147 16.571 2.557 1.00 34.21 H new ATOM 0 HE2 PHE A 49 -1.184 16.554 6.818 1.00 74.52 H new ATOM 0 HZ PHE A 49 -1.383 17.774 4.688 1.00 23.32 H new ATOM 742 N ARG A 50 2.320 11.804 6.444 1.00 40.52 N ATOM 743 CA ARG A 50 3.191 12.225 7.571 1.00 51.35 C ATOM 744 C ARG A 50 4.571 12.765 7.083 1.00 74.24 C ATOM 745 O ARG A 50 4.852 13.965 7.203 1.00 63.41 O ATOM 746 CB ARG A 50 3.387 11.032 8.560 1.00 32.53 C ATOM 747 CG ARG A 50 2.074 10.399 9.082 1.00 64.04 C ATOM 748 CD ARG A 50 1.188 11.396 9.844 1.00 32.13 C ATOM 749 NE ARG A 50 -0.106 10.804 10.221 1.00 33.20 N ATOM 750 CZ ARG A 50 -1.078 11.436 10.841 1.00 21.50 C ATOM 751 NH1 ARG A 50 -0.968 12.678 11.200 1.00 34.35 N ATOM 752 NH2 ARG A 50 -2.168 10.818 11.101 1.00 73.23 N ATOM 0 H ARG A 50 1.996 10.840 6.524 1.00 40.52 H new ATOM 0 HA ARG A 50 2.694 13.048 8.085 1.00 51.35 H new ATOM 0 HB2 ARG A 50 3.974 10.259 8.063 1.00 32.53 H new ATOM 0 HB3 ARG A 50 3.971 11.378 9.413 1.00 32.53 H new ATOM 0 HG2 ARG A 50 1.513 9.993 8.240 1.00 64.04 H new ATOM 0 HG3 ARG A 50 2.316 9.562 9.737 1.00 64.04 H new ATOM 0 HD2 ARG A 50 1.708 11.732 10.741 1.00 32.13 H new ATOM 0 HD3 ARG A 50 1.018 12.277 9.225 1.00 32.13 H new ATOM 0 HE ARG A 50 -0.261 9.825 9.982 1.00 33.20 H new ATOM 0 HH11 ARG A 50 -0.109 13.192 11.003 1.00 34.35 H new ATOM 0 HH12 ARG A 50 -1.740 13.141 11.680 1.00 34.35 H new ATOM 0 HH21 ARG A 50 -2.278 9.842 10.828 1.00 73.23 H new ATOM 0 HH22 ARG A 50 -2.926 11.302 11.582 1.00 73.23 H new ATOM 766 N ASP A 51 5.409 11.874 6.525 1.00 1.22 N ATOM 767 CA ASP A 51 6.746 12.243 5.983 1.00 34.13 C ATOM 768 C ASP A 51 6.684 12.617 4.479 1.00 62.42 C ATOM 769 O ASP A 51 7.456 13.447 4.002 1.00 43.11 O ATOM 770 CB ASP A 51 7.738 11.073 6.213 1.00 24.44 C ATOM 771 CG ASP A 51 9.168 11.398 5.740 1.00 71.14 C ATOM 772 OD1 ASP A 51 9.839 12.219 6.395 1.00 41.30 O ATOM 773 OD2 ASP A 51 9.600 10.881 4.684 1.00 65.33 O ATOM 0 H ASP A 51 5.189 10.882 6.433 1.00 1.22 H new ATOM 0 HA ASP A 51 7.093 13.129 6.515 1.00 34.13 H new ATOM 0 HB2 ASP A 51 7.759 10.825 7.274 1.00 24.44 H new ATOM 0 HB3 ASP A 51 7.378 10.189 5.686 1.00 24.44 H new ATOM 778 N VAL A 52 5.777 11.972 3.742 1.00 15.24 N ATOM 779 CA VAL A 52 5.753 12.020 2.258 1.00 53.31 C ATOM 780 C VAL A 52 4.800 13.102 1.689 1.00 53.31 C ATOM 781 O VAL A 52 5.026 13.599 0.580 1.00 60.25 O ATOM 782 CB VAL A 52 5.399 10.590 1.695 1.00 34.32 C ATOM 783 CG1 VAL A 52 5.306 10.550 0.165 1.00 51.31 C ATOM 784 CG2 VAL A 52 6.412 9.545 2.188 1.00 72.11 C ATOM 0 H VAL A 52 5.035 11.400 4.145 1.00 15.24 H new ATOM 0 HA VAL A 52 6.749 12.312 1.925 1.00 53.31 H new ATOM 0 HB VAL A 52 4.408 10.349 2.080 1.00 34.32 H new ATOM 0 HG11 VAL A 52 5.060 9.539 -0.158 1.00 51.31 H new ATOM 0 HG12 VAL A 52 4.529 11.237 -0.170 1.00 51.31 H new ATOM 0 HG13 VAL A 52 6.263 10.846 -0.266 1.00 51.31 H new ATOM 0 HG21 VAL A 52 6.149 8.566 1.788 1.00 72.11 H new ATOM 0 HG22 VAL A 52 7.411 9.819 1.849 1.00 72.11 H new ATOM 0 HG23 VAL A 52 6.396 9.508 3.277 1.00 72.11 H new ATOM 794 N GLY A 53 3.787 13.521 2.474 1.00 63.23 N ATOM 795 CA GLY A 53 2.711 14.416 1.983 1.00 41.54 C ATOM 796 C GLY A 53 3.085 15.903 1.794 1.00 13.35 C ATOM 797 O GLY A 53 2.214 16.777 1.910 1.00 54.32 O ATOM 0 H GLY A 53 3.689 13.255 3.454 1.00 63.23 H new ATOM 0 HA2 GLY A 53 2.355 14.030 1.028 1.00 41.54 H new ATOM 0 HA3 GLY A 53 1.876 14.360 2.681 1.00 41.54 H new ATOM 801 N ASN A 54 4.367 16.188 1.483 1.00 10.33 N ATOM 802 CA ASN A 54 4.861 17.556 1.182 1.00 73.02 C ATOM 803 C ASN A 54 4.427 18.046 -0.229 1.00 35.22 C ATOM 804 O ASN A 54 4.527 19.240 -0.522 1.00 34.10 O ATOM 805 CB ASN A 54 6.401 17.579 1.282 1.00 22.31 C ATOM 806 CG ASN A 54 6.921 17.148 2.648 1.00 31.21 C ATOM 807 OD1 ASN A 54 7.125 17.968 3.533 1.00 60.22 O ATOM 808 ND2 ASN A 54 7.134 15.862 2.829 1.00 61.11 N ATOM 0 H ASN A 54 5.095 15.475 1.432 1.00 10.33 H new ATOM 0 HA ASN A 54 4.419 18.232 1.914 1.00 73.02 H new ATOM 0 HB2 ASN A 54 6.818 16.923 0.518 1.00 22.31 H new ATOM 0 HB3 ASN A 54 6.758 18.586 1.066 1.00 22.31 H new ATOM 0 HD21 ASN A 54 7.479 15.524 3.727 1.00 61.11 H new ATOM 0 HD22 ASN A 54 6.954 15.204 2.071 1.00 61.11 H new ATOM 815 N THR A 55 3.981 17.089 -1.090 1.00 13.00 N ATOM 816 CA THR A 55 3.482 17.332 -2.482 1.00 61.14 C ATOM 817 C THR A 55 4.501 18.089 -3.375 1.00 74.11 C ATOM 818 O THR A 55 4.122 18.843 -4.278 1.00 51.53 O ATOM 819 CB THR A 55 2.070 18.049 -2.504 1.00 43.34 C ATOM 820 OG1 THR A 55 2.162 19.425 -2.075 1.00 11.42 O ATOM 821 CG2 THR A 55 1.055 17.313 -1.613 1.00 51.42 C ATOM 0 H THR A 55 3.956 16.102 -0.833 1.00 13.00 H new ATOM 0 HA THR A 55 3.357 16.340 -2.915 1.00 61.14 H new ATOM 0 HB THR A 55 1.727 18.024 -3.538 1.00 43.34 H new ATOM 0 HG1 THR A 55 3.016 19.568 -1.616 1.00 11.42 H new ATOM 0 HG21 THR A 55 0.096 17.830 -1.650 1.00 51.42 H new ATOM 0 HG22 THR A 55 0.930 16.291 -1.971 1.00 51.42 H new ATOM 0 HG23 THR A 55 1.418 17.295 -0.586 1.00 51.42 H new ATOM 829 N ASP A 56 5.797 17.823 -3.154 1.00 53.45 N ATOM 830 CA ASP A 56 6.910 18.479 -3.885 1.00 23.30 C ATOM 831 C ASP A 56 7.531 17.542 -4.970 1.00 63.02 C ATOM 832 O ASP A 56 7.615 17.918 -6.145 1.00 14.40 O ATOM 833 CB ASP A 56 7.978 18.992 -2.864 1.00 54.52 C ATOM 834 CG ASP A 56 8.634 17.912 -1.966 1.00 24.55 C ATOM 835 OD1 ASP A 56 8.007 16.860 -1.672 1.00 33.41 O ATOM 836 OD2 ASP A 56 9.785 18.119 -1.530 1.00 11.23 O ATOM 0 H ASP A 56 6.112 17.144 -2.461 1.00 53.45 H new ATOM 0 HA ASP A 56 6.513 19.337 -4.427 1.00 23.30 H new ATOM 0 HB2 ASP A 56 8.766 19.503 -3.418 1.00 54.52 H new ATOM 0 HB3 ASP A 56 7.508 19.735 -2.220 1.00 54.52 H new ATOM 841 N MET A 57 7.940 16.320 -4.560 1.00 5.10 N ATOM 842 CA MET A 57 8.529 15.290 -5.455 1.00 60.22 C ATOM 843 C MET A 57 8.512 13.907 -4.773 1.00 33.41 C ATOM 844 O MET A 57 8.203 12.895 -5.421 1.00 60.21 O ATOM 845 CB MET A 57 9.983 15.659 -5.887 1.00 35.05 C ATOM 846 CG MET A 57 10.722 14.558 -6.681 1.00 65.00 C ATOM 847 SD MET A 57 12.262 15.124 -7.442 1.00 11.42 S ATOM 848 CE MET A 57 11.645 16.208 -8.731 1.00 13.52 C ATOM 0 H MET A 57 7.871 16.015 -3.589 1.00 5.10 H new ATOM 0 HA MET A 57 7.915 15.252 -6.355 1.00 60.22 H new ATOM 0 HB2 MET A 57 9.948 16.564 -6.494 1.00 35.05 H new ATOM 0 HB3 MET A 57 10.563 15.896 -4.995 1.00 35.05 H new ATOM 0 HG2 MET A 57 10.941 13.725 -6.013 1.00 65.00 H new ATOM 0 HG3 MET A 57 10.061 14.177 -7.459 1.00 65.00 H new ATOM 0 HE1 MET A 57 12.433 16.389 -9.462 1.00 13.52 H new ATOM 0 HE2 MET A 57 10.793 15.739 -9.224 1.00 13.52 H new ATOM 0 HE3 MET A 57 11.333 17.155 -8.291 1.00 13.52 H new ATOM 858 N LYS A 58 8.837 13.881 -3.457 1.00 74.32 N ATOM 859 CA LYS A 58 8.803 12.644 -2.632 1.00 51.41 C ATOM 860 C LYS A 58 7.420 11.953 -2.730 1.00 51.32 C ATOM 861 O LYS A 58 7.329 10.738 -2.889 1.00 25.45 O ATOM 862 CB LYS A 58 9.122 12.963 -1.143 1.00 54.24 C ATOM 863 CG LYS A 58 9.249 11.711 -0.229 1.00 11.21 C ATOM 864 CD LYS A 58 9.296 12.052 1.279 1.00 30.33 C ATOM 865 CE LYS A 58 10.497 12.916 1.694 1.00 21.42 C ATOM 866 NZ LYS A 58 10.419 13.307 3.129 1.00 23.13 N ATOM 0 H LYS A 58 9.128 14.710 -2.939 1.00 74.32 H new ATOM 0 HA LYS A 58 9.564 11.968 -3.020 1.00 51.41 H new ATOM 0 HB2 LYS A 58 10.054 13.527 -1.097 1.00 54.24 H new ATOM 0 HB3 LYS A 58 8.338 13.609 -0.747 1.00 54.24 H new ATOM 0 HG2 LYS A 58 8.406 11.046 -0.417 1.00 11.21 H new ATOM 0 HG3 LYS A 58 10.153 11.164 -0.498 1.00 11.21 H new ATOM 0 HD2 LYS A 58 8.378 12.572 1.551 1.00 30.33 H new ATOM 0 HD3 LYS A 58 9.317 11.123 1.849 1.00 30.33 H new ATOM 0 HE2 LYS A 58 11.421 12.366 1.516 1.00 21.42 H new ATOM 0 HE3 LYS A 58 10.534 13.811 1.073 1.00 21.42 H new ATOM 0 HZ1 LYS A 58 11.218 13.931 3.363 1.00 23.13 H new ATOM 0 HZ2 LYS A 58 9.525 13.809 3.304 1.00 23.13 H new ATOM 0 HZ3 LYS A 58 10.460 12.455 3.724 1.00 23.13 H new ATOM 880 N TYR A 59 6.358 12.775 -2.664 1.00 11.12 N ATOM 881 CA TYR A 59 4.952 12.324 -2.743 1.00 53.52 C ATOM 882 C TYR A 59 4.610 11.652 -4.091 1.00 13.24 C ATOM 883 O TYR A 59 3.799 10.732 -4.138 1.00 65.45 O ATOM 884 CB TYR A 59 4.018 13.517 -2.442 1.00 40.43 C ATOM 885 CG TYR A 59 2.516 13.174 -2.325 1.00 42.53 C ATOM 886 CD1 TYR A 59 2.044 12.336 -1.305 1.00 21.40 C ATOM 887 CD2 TYR A 59 1.572 13.693 -3.222 1.00 45.25 C ATOM 888 CE1 TYR A 59 0.698 12.035 -1.185 1.00 65.32 C ATOM 889 CE2 TYR A 59 0.227 13.398 -3.097 1.00 4.40 C ATOM 890 CZ TYR A 59 -0.205 12.571 -2.080 1.00 22.05 C ATOM 891 OH TYR A 59 -1.552 12.291 -1.953 1.00 25.31 O ATOM 0 H TYR A 59 6.450 13.785 -2.553 1.00 11.12 H new ATOM 0 HA TYR A 59 4.802 11.550 -1.990 1.00 53.52 H new ATOM 0 HB2 TYR A 59 4.340 13.982 -1.510 1.00 40.43 H new ATOM 0 HB3 TYR A 59 4.143 14.261 -3.229 1.00 40.43 H new ATOM 0 HD1 TYR A 59 2.745 11.917 -0.598 1.00 21.40 H new ATOM 0 HD2 TYR A 59 1.901 14.335 -4.026 1.00 45.25 H new ATOM 0 HE1 TYR A 59 0.356 11.384 -0.394 1.00 65.32 H new ATOM 0 HE2 TYR A 59 -0.485 13.814 -3.794 1.00 4.40 H new ATOM 0 HH TYR A 59 -1.799 11.582 -2.583 1.00 25.31 H new ATOM 901 N LYS A 60 5.234 12.124 -5.176 1.00 21.21 N ATOM 902 CA LYS A 60 5.039 11.540 -6.517 1.00 32.33 C ATOM 903 C LYS A 60 5.738 10.162 -6.643 1.00 40.53 C ATOM 904 O LYS A 60 5.089 9.154 -6.928 1.00 21.42 O ATOM 905 CB LYS A 60 5.562 12.524 -7.598 1.00 1.21 C ATOM 906 CG LYS A 60 4.859 13.900 -7.593 1.00 10.11 C ATOM 907 CD LYS A 60 3.335 13.796 -7.872 1.00 23.40 C ATOM 908 CE LYS A 60 2.646 15.170 -7.927 1.00 31.43 C ATOM 909 NZ LYS A 60 3.246 16.053 -8.966 1.00 22.10 N ATOM 0 H LYS A 60 5.882 12.912 -5.156 1.00 21.21 H new ATOM 0 HA LYS A 60 3.972 11.377 -6.669 1.00 32.33 H new ATOM 0 HB2 LYS A 60 6.631 12.674 -7.450 1.00 1.21 H new ATOM 0 HB3 LYS A 60 5.437 12.068 -8.580 1.00 1.21 H new ATOM 0 HG2 LYS A 60 5.015 14.380 -6.627 1.00 10.11 H new ATOM 0 HG3 LYS A 60 5.319 14.541 -8.345 1.00 10.11 H new ATOM 0 HD2 LYS A 60 3.178 13.277 -8.818 1.00 23.40 H new ATOM 0 HD3 LYS A 60 2.868 13.191 -7.095 1.00 23.40 H new ATOM 0 HE2 LYS A 60 1.584 15.035 -8.134 1.00 31.43 H new ATOM 0 HE3 LYS A 60 2.722 15.653 -6.953 1.00 31.43 H new ATOM 0 HZ1 LYS A 60 2.635 16.881 -9.113 1.00 22.10 H new ATOM 0 HZ2 LYS A 60 4.186 16.368 -8.653 1.00 22.10 H new ATOM 0 HZ3 LYS A 60 3.336 15.527 -9.859 1.00 22.10 H new ATOM 923 N ASN A 61 7.057 10.133 -6.355 1.00 21.23 N ATOM 924 CA ASN A 61 7.928 8.951 -6.597 1.00 72.01 C ATOM 925 C ASN A 61 7.603 7.781 -5.625 1.00 33.42 C ATOM 926 O ASN A 61 7.540 6.621 -6.047 1.00 64.41 O ATOM 927 CB ASN A 61 9.423 9.395 -6.485 1.00 24.12 C ATOM 928 CG ASN A 61 10.456 8.349 -6.952 1.00 43.42 C ATOM 929 OD1 ASN A 61 10.273 7.147 -6.818 1.00 72.14 O ATOM 930 ND2 ASN A 61 11.555 8.802 -7.522 1.00 63.43 N ATOM 0 H ASN A 61 7.553 10.926 -5.948 1.00 21.23 H new ATOM 0 HA ASN A 61 7.739 8.570 -7.601 1.00 72.01 H new ATOM 0 HB2 ASN A 61 9.560 10.304 -7.071 1.00 24.12 H new ATOM 0 HB3 ASN A 61 9.633 9.650 -5.446 1.00 24.12 H new ATOM 0 HD21 ASN A 61 12.263 8.148 -7.856 1.00 63.43 H new ATOM 0 HD22 ASN A 61 11.697 9.806 -7.629 1.00 63.43 H new ATOM 937 N ARG A 62 7.400 8.105 -4.333 1.00 31.55 N ATOM 938 CA ARG A 62 7.087 7.106 -3.276 1.00 11.01 C ATOM 939 C ARG A 62 5.809 6.294 -3.597 1.00 24.13 C ATOM 940 O ARG A 62 5.802 5.067 -3.460 1.00 41.22 O ATOM 941 CB ARG A 62 6.945 7.818 -1.901 1.00 61.31 C ATOM 942 CG ARG A 62 6.575 6.913 -0.699 1.00 3.22 C ATOM 943 CD ARG A 62 7.635 5.844 -0.379 1.00 73.15 C ATOM 944 NE ARG A 62 7.261 5.077 0.822 1.00 65.45 N ATOM 945 CZ ARG A 62 7.881 5.121 1.982 1.00 51.21 C ATOM 946 NH1 ARG A 62 8.977 5.784 2.136 1.00 12.23 N ATOM 947 NH2 ARG A 62 7.404 4.485 2.988 1.00 54.40 N ATOM 0 H ARG A 62 7.447 9.063 -3.987 1.00 31.55 H new ATOM 0 HA ARG A 62 7.915 6.398 -3.237 1.00 11.01 H new ATOM 0 HB2 ARG A 62 7.886 8.320 -1.676 1.00 61.31 H new ATOM 0 HB3 ARG A 62 6.185 8.594 -1.993 1.00 61.31 H new ATOM 0 HG2 ARG A 62 6.424 7.537 0.182 1.00 3.22 H new ATOM 0 HG3 ARG A 62 5.625 6.420 -0.906 1.00 3.22 H new ATOM 0 HD2 ARG A 62 7.744 5.169 -1.228 1.00 73.15 H new ATOM 0 HD3 ARG A 62 8.603 6.321 -0.224 1.00 73.15 H new ATOM 0 HE ARG A 62 6.453 4.459 0.748 1.00 65.45 H new ATOM 0 HH11 ARG A 62 9.382 6.290 1.348 1.00 12.23 H new ATOM 0 HH12 ARG A 62 9.438 5.802 3.046 1.00 12.23 H new ATOM 0 HH21 ARG A 62 6.544 3.945 2.889 1.00 54.40 H new ATOM 0 HH22 ARG A 62 7.884 4.519 3.887 1.00 54.40 H new ATOM 961 N VAL A 63 4.740 6.996 -4.018 1.00 41.24 N ATOM 962 CA VAL A 63 3.462 6.363 -4.411 1.00 32.55 C ATOM 963 C VAL A 63 3.657 5.421 -5.633 1.00 12.41 C ATOM 964 O VAL A 63 3.190 4.282 -5.605 1.00 11.14 O ATOM 965 CB VAL A 63 2.350 7.454 -4.694 1.00 11.01 C ATOM 966 CG1 VAL A 63 1.047 6.836 -5.258 1.00 34.24 C ATOM 967 CG2 VAL A 63 2.042 8.263 -3.405 1.00 73.03 C ATOM 0 H VAL A 63 4.735 8.013 -4.096 1.00 41.24 H new ATOM 0 HA VAL A 63 3.119 5.752 -3.576 1.00 32.55 H new ATOM 0 HB VAL A 63 2.749 8.124 -5.456 1.00 11.01 H new ATOM 0 HG11 VAL A 63 0.317 7.626 -5.435 1.00 34.24 H new ATOM 0 HG12 VAL A 63 1.263 6.325 -6.196 1.00 34.24 H new ATOM 0 HG13 VAL A 63 0.643 6.122 -4.541 1.00 34.24 H new ATOM 0 HG21 VAL A 63 1.276 9.008 -3.618 1.00 73.03 H new ATOM 0 HG22 VAL A 63 1.685 7.587 -2.628 1.00 73.03 H new ATOM 0 HG23 VAL A 63 2.949 8.762 -3.063 1.00 73.03 H new ATOM 977 N ARG A 64 4.394 5.895 -6.664 1.00 34.33 N ATOM 978 CA ARG A 64 4.693 5.101 -7.895 1.00 55.45 C ATOM 979 C ARG A 64 5.412 3.760 -7.572 1.00 35.03 C ATOM 980 O ARG A 64 5.018 2.695 -8.068 1.00 64.23 O ATOM 981 CB ARG A 64 5.579 5.926 -8.874 1.00 23.13 C ATOM 982 CG ARG A 64 4.946 7.229 -9.412 1.00 2.43 C ATOM 983 CD ARG A 64 3.646 6.991 -10.198 1.00 1.11 C ATOM 984 NE ARG A 64 3.833 6.041 -11.313 1.00 62.31 N ATOM 985 CZ ARG A 64 3.441 6.212 -12.553 1.00 23.31 C ATOM 986 NH1 ARG A 64 2.833 7.291 -12.933 1.00 32.22 N ATOM 987 NH2 ARG A 64 3.659 5.279 -13.412 1.00 70.23 N ATOM 0 H ARG A 64 4.799 6.831 -6.674 1.00 34.33 H new ATOM 0 HA ARG A 64 3.734 4.872 -8.359 1.00 55.45 H new ATOM 0 HB2 ARG A 64 6.511 6.178 -8.367 1.00 23.13 H new ATOM 0 HB3 ARG A 64 5.839 5.292 -9.722 1.00 23.13 H new ATOM 0 HG2 ARG A 64 4.740 7.898 -8.576 1.00 2.43 H new ATOM 0 HG3 ARG A 64 5.665 7.736 -10.056 1.00 2.43 H new ATOM 0 HD2 ARG A 64 2.880 6.609 -9.523 1.00 1.11 H new ATOM 0 HD3 ARG A 64 3.281 7.941 -10.590 1.00 1.11 H new ATOM 0 HE ARG A 64 4.313 5.167 -11.098 1.00 62.31 H new ATOM 0 HH11 ARG A 64 2.648 8.036 -12.261 1.00 32.22 H new ATOM 0 HH12 ARG A 64 2.540 7.396 -13.904 1.00 32.22 H new ATOM 0 HH21 ARG A 64 4.131 4.421 -13.125 1.00 70.23 H new ATOM 0 HH22 ARG A 64 3.360 5.397 -14.380 1.00 70.23 H new ATOM 1001 N SER A 65 6.470 3.846 -6.744 1.00 41.42 N ATOM 1002 CA SER A 65 7.298 2.677 -6.351 1.00 24.51 C ATOM 1003 C SER A 65 6.509 1.685 -5.469 1.00 62.14 C ATOM 1004 O SER A 65 6.619 0.471 -5.640 1.00 23.41 O ATOM 1005 CB SER A 65 8.573 3.153 -5.610 1.00 43.31 C ATOM 1006 OG SER A 65 9.394 2.061 -5.212 1.00 61.42 O ATOM 0 H SER A 65 6.779 4.724 -6.326 1.00 41.42 H new ATOM 0 HA SER A 65 7.583 2.152 -7.263 1.00 24.51 H new ATOM 0 HB2 SER A 65 9.143 3.818 -6.259 1.00 43.31 H new ATOM 0 HB3 SER A 65 8.288 3.732 -4.732 1.00 43.31 H new ATOM 0 HG SER A 65 10.189 2.401 -4.750 1.00 61.42 H new ATOM 1012 N ARG A 66 5.698 2.227 -4.543 1.00 12.25 N ATOM 1013 CA ARG A 66 4.896 1.429 -3.589 1.00 74.50 C ATOM 1014 C ARG A 66 3.805 0.598 -4.316 1.00 52.00 C ATOM 1015 O ARG A 66 3.656 -0.597 -4.046 1.00 2.00 O ATOM 1016 CB ARG A 66 4.300 2.381 -2.510 1.00 33.42 C ATOM 1017 CG ARG A 66 3.473 1.717 -1.371 1.00 62.53 C ATOM 1018 CD ARG A 66 1.958 1.669 -1.656 1.00 73.04 C ATOM 1019 NE ARG A 66 1.193 1.204 -0.492 1.00 2.23 N ATOM 1020 CZ ARG A 66 0.935 1.924 0.585 1.00 61.25 C ATOM 1021 NH1 ARG A 66 1.358 3.153 0.715 1.00 52.41 N ATOM 1022 NH2 ARG A 66 0.252 1.402 1.538 1.00 1.44 N ATOM 0 H ARG A 66 5.578 3.234 -4.432 1.00 12.25 H new ATOM 0 HA ARG A 66 5.539 0.702 -3.092 1.00 74.50 H new ATOM 0 HB2 ARG A 66 5.121 2.936 -2.055 1.00 33.42 H new ATOM 0 HB3 ARG A 66 3.663 3.109 -3.013 1.00 33.42 H new ATOM 0 HG2 ARG A 66 3.837 0.702 -1.213 1.00 62.53 H new ATOM 0 HG3 ARG A 66 3.643 2.264 -0.444 1.00 62.53 H new ATOM 0 HD2 ARG A 66 1.612 2.662 -1.944 1.00 73.04 H new ATOM 0 HD3 ARG A 66 1.769 1.008 -2.502 1.00 73.04 H new ATOM 0 HE ARG A 66 0.833 0.250 -0.517 1.00 2.23 H new ATOM 0 HH11 ARG A 66 1.906 3.585 -0.029 1.00 52.41 H new ATOM 0 HH12 ARG A 66 1.140 3.680 1.560 1.00 52.41 H new ATOM 0 HH21 ARG A 66 -0.084 0.442 1.458 1.00 1.44 H new ATOM 0 HH22 ARG A 66 0.046 1.947 2.375 1.00 1.44 H new ATOM 1036 N ILE A 67 3.050 1.249 -5.230 1.00 20.51 N ATOM 1037 CA ILE A 67 2.056 0.575 -6.116 1.00 12.23 C ATOM 1038 C ILE A 67 2.728 -0.542 -6.962 1.00 20.33 C ATOM 1039 O ILE A 67 2.175 -1.640 -7.120 1.00 32.13 O ATOM 1040 CB ILE A 67 1.354 1.620 -7.073 1.00 11.32 C ATOM 1041 CG1 ILE A 67 0.568 2.688 -6.251 1.00 70.41 C ATOM 1042 CG2 ILE A 67 0.416 0.938 -8.106 1.00 73.31 C ATOM 1043 CD1 ILE A 67 -0.001 3.829 -7.077 1.00 23.00 C ATOM 0 H ILE A 67 3.108 2.256 -5.379 1.00 20.51 H new ATOM 0 HA ILE A 67 1.301 0.121 -5.475 1.00 12.23 H new ATOM 0 HB ILE A 67 2.148 2.117 -7.631 1.00 11.32 H new ATOM 0 HG12 ILE A 67 -0.250 2.194 -5.726 1.00 70.41 H new ATOM 0 HG13 ILE A 67 1.230 3.102 -5.491 1.00 70.41 H new ATOM 0 HG21 ILE A 67 -0.042 1.698 -8.739 1.00 73.31 H new ATOM 0 HG22 ILE A 67 0.994 0.251 -8.724 1.00 73.31 H new ATOM 0 HG23 ILE A 67 -0.363 0.386 -7.581 1.00 73.31 H new ATOM 0 HD11 ILE A 67 -0.530 4.522 -6.424 1.00 23.00 H new ATOM 0 HD12 ILE A 67 0.811 4.353 -7.581 1.00 23.00 H new ATOM 0 HD13 ILE A 67 -0.692 3.431 -7.820 1.00 23.00 H new ATOM 1055 N SER A 68 3.934 -0.234 -7.480 1.00 34.42 N ATOM 1056 CA SER A 68 4.749 -1.185 -8.272 1.00 41.30 C ATOM 1057 C SER A 68 5.123 -2.445 -7.454 1.00 3.05 C ATOM 1058 O SER A 68 5.058 -3.556 -7.972 1.00 74.22 O ATOM 1059 CB SER A 68 6.029 -0.491 -8.802 1.00 44.35 C ATOM 1060 OG SER A 68 6.806 -1.365 -9.609 1.00 60.41 O ATOM 0 H SER A 68 4.373 0.679 -7.363 1.00 34.42 H new ATOM 0 HA SER A 68 4.142 -1.508 -9.117 1.00 41.30 H new ATOM 0 HB2 SER A 68 5.752 0.389 -9.382 1.00 44.35 H new ATOM 0 HB3 SER A 68 6.629 -0.143 -7.961 1.00 44.35 H new ATOM 0 HG SER A 68 7.604 -0.894 -9.927 1.00 60.41 H new ATOM 1066 N ASN A 69 5.481 -2.249 -6.168 1.00 21.21 N ATOM 1067 CA ASN A 69 5.862 -3.354 -5.244 1.00 43.40 C ATOM 1068 C ASN A 69 4.649 -4.225 -4.833 1.00 65.43 C ATOM 1069 O ASN A 69 4.804 -5.419 -4.556 1.00 33.41 O ATOM 1070 CB ASN A 69 6.559 -2.780 -3.984 1.00 51.22 C ATOM 1071 CG ASN A 69 7.865 -2.048 -4.300 1.00 70.25 C ATOM 1072 OD1 ASN A 69 8.558 -2.370 -5.257 1.00 53.31 O ATOM 1073 ND2 ASN A 69 8.217 -1.062 -3.495 1.00 4.32 N ATOM 0 H ASN A 69 5.516 -1.326 -5.736 1.00 21.21 H new ATOM 0 HA ASN A 69 6.555 -4.000 -5.783 1.00 43.40 H new ATOM 0 HB2 ASN A 69 5.878 -2.094 -3.480 1.00 51.22 H new ATOM 0 HB3 ASN A 69 6.765 -3.593 -3.288 1.00 51.22 H new ATOM 0 HD21 ASN A 69 9.083 -0.550 -3.664 1.00 4.32 H new ATOM 0 HD22 ASN A 69 7.623 -0.812 -2.704 1.00 4.32 H new ATOM 1080 N LEU A 70 3.449 -3.612 -4.787 1.00 23.43 N ATOM 1081 CA LEU A 70 2.184 -4.330 -4.472 1.00 11.21 C ATOM 1082 C LEU A 70 1.832 -5.394 -5.551 1.00 30.25 C ATOM 1083 O LEU A 70 1.235 -6.431 -5.246 1.00 4.11 O ATOM 1084 CB LEU A 70 1.016 -3.313 -4.318 1.00 2.11 C ATOM 1085 CG LEU A 70 1.105 -2.341 -3.090 1.00 72.30 C ATOM 1086 CD1 LEU A 70 0.000 -1.263 -3.128 1.00 54.52 C ATOM 1087 CD2 LEU A 70 1.058 -3.110 -1.753 1.00 44.21 C ATOM 0 H LEU A 70 3.323 -2.615 -4.964 1.00 23.43 H new ATOM 0 HA LEU A 70 2.332 -4.858 -3.530 1.00 11.21 H new ATOM 0 HB2 LEU A 70 0.961 -2.714 -5.227 1.00 2.11 H new ATOM 0 HB3 LEU A 70 0.082 -3.871 -4.247 1.00 2.11 H new ATOM 0 HG LEU A 70 2.069 -1.837 -3.161 1.00 72.30 H new ATOM 0 HD11 LEU A 70 0.098 -0.611 -2.260 1.00 54.52 H new ATOM 0 HD12 LEU A 70 0.099 -0.672 -4.039 1.00 54.52 H new ATOM 0 HD13 LEU A 70 -0.978 -1.744 -3.112 1.00 54.52 H new ATOM 0 HD21 LEU A 70 1.122 -2.404 -0.925 1.00 44.21 H new ATOM 0 HD22 LEU A 70 0.122 -3.665 -1.685 1.00 44.21 H new ATOM 0 HD23 LEU A 70 1.896 -3.805 -1.703 1.00 44.21 H new ATOM 1099 N LYS A 71 2.221 -5.121 -6.807 1.00 24.44 N ATOM 1100 CA LYS A 71 1.922 -5.996 -7.975 1.00 43.15 C ATOM 1101 C LYS A 71 3.189 -6.745 -8.484 1.00 30.30 C ATOM 1102 O LYS A 71 3.110 -7.518 -9.449 1.00 21.31 O ATOM 1103 CB LYS A 71 1.317 -5.125 -9.116 1.00 32.41 C ATOM 1104 CG LYS A 71 2.296 -4.066 -9.686 1.00 62.21 C ATOM 1105 CD LYS A 71 1.656 -3.102 -10.709 1.00 2.42 C ATOM 1106 CE LYS A 71 0.534 -2.244 -10.098 1.00 12.40 C ATOM 1107 NZ LYS A 71 0.094 -1.173 -11.025 1.00 31.31 N ATOM 0 H LYS A 71 2.754 -4.287 -7.052 1.00 24.44 H new ATOM 0 HA LYS A 71 1.207 -6.756 -7.661 1.00 43.15 H new ATOM 0 HB2 LYS A 71 0.993 -5.779 -9.926 1.00 32.41 H new ATOM 0 HB3 LYS A 71 0.428 -4.618 -8.740 1.00 32.41 H new ATOM 0 HG2 LYS A 71 2.705 -3.483 -8.861 1.00 62.21 H new ATOM 0 HG3 LYS A 71 3.133 -4.579 -10.160 1.00 62.21 H new ATOM 0 HD2 LYS A 71 2.427 -2.448 -11.116 1.00 2.42 H new ATOM 0 HD3 LYS A 71 1.254 -3.678 -11.542 1.00 2.42 H new ATOM 0 HE2 LYS A 71 -0.315 -2.880 -9.848 1.00 12.40 H new ATOM 0 HE3 LYS A 71 0.883 -1.798 -9.167 1.00 12.40 H new ATOM 0 HZ1 LYS A 71 -0.662 -0.616 -10.578 1.00 31.31 H new ATOM 0 HZ2 LYS A 71 0.898 -0.551 -11.244 1.00 31.31 H new ATOM 0 HZ3 LYS A 71 -0.263 -1.600 -11.904 1.00 31.31 H new ATOM 1121 N ASP A 72 4.349 -6.517 -7.829 1.00 61.50 N ATOM 1122 CA ASP A 72 5.656 -7.052 -8.286 1.00 41.22 C ATOM 1123 C ASP A 72 5.849 -8.538 -7.881 1.00 20.22 C ATOM 1124 O ASP A 72 5.402 -8.964 -6.816 1.00 40.42 O ATOM 1125 CB ASP A 72 6.809 -6.176 -7.732 1.00 54.42 C ATOM 1126 CG ASP A 72 8.166 -6.485 -8.380 1.00 72.22 C ATOM 1127 OD1 ASP A 72 8.302 -6.288 -9.606 1.00 4.35 O ATOM 1128 OD2 ASP A 72 9.080 -6.948 -7.689 1.00 32.14 O ATOM 0 H ASP A 72 4.409 -5.962 -6.975 1.00 61.50 H new ATOM 0 HA ASP A 72 5.671 -7.015 -9.375 1.00 41.22 H new ATOM 0 HB2 ASP A 72 6.568 -5.125 -7.892 1.00 54.42 H new ATOM 0 HB3 ASP A 72 6.885 -6.325 -6.655 1.00 54.42 H new ATOM 1133 N ALA A 73 6.555 -9.306 -8.742 1.00 21.44 N ATOM 1134 CA ALA A 73 6.774 -10.760 -8.554 1.00 73.13 C ATOM 1135 C ALA A 73 7.794 -11.090 -7.430 1.00 43.53 C ATOM 1136 O ALA A 73 7.845 -12.229 -6.961 1.00 22.30 O ATOM 1137 CB ALA A 73 7.208 -11.402 -9.881 1.00 13.42 C ATOM 0 H ALA A 73 6.989 -8.936 -9.587 1.00 21.44 H new ATOM 0 HA ALA A 73 5.822 -11.182 -8.233 1.00 73.13 H new ATOM 0 HB1 ALA A 73 7.367 -12.470 -9.734 1.00 13.42 H new ATOM 0 HB2 ALA A 73 6.431 -11.251 -10.630 1.00 13.42 H new ATOM 0 HB3 ALA A 73 8.135 -10.941 -10.222 1.00 13.42 H new ATOM 1143 N LYS A 74 8.608 -10.099 -7.005 1.00 10.42 N ATOM 1144 CA LYS A 74 9.557 -10.276 -5.870 1.00 53.03 C ATOM 1145 C LYS A 74 8.819 -10.250 -4.506 1.00 22.44 C ATOM 1146 O LYS A 74 9.306 -10.823 -3.520 1.00 13.30 O ATOM 1147 CB LYS A 74 10.684 -9.197 -5.886 1.00 70.20 C ATOM 1148 CG LYS A 74 11.815 -9.405 -6.929 1.00 15.44 C ATOM 1149 CD LYS A 74 11.355 -9.295 -8.401 1.00 13.03 C ATOM 1150 CE LYS A 74 12.513 -9.465 -9.396 1.00 11.44 C ATOM 1151 NZ LYS A 74 12.056 -9.326 -10.803 1.00 23.20 N ATOM 0 H LYS A 74 8.631 -9.170 -7.425 1.00 10.42 H new ATOM 0 HA LYS A 74 10.019 -11.255 -5.997 1.00 53.03 H new ATOM 0 HB2 LYS A 74 10.225 -8.225 -6.067 1.00 70.20 H new ATOM 0 HB3 LYS A 74 11.135 -9.157 -4.894 1.00 70.20 H new ATOM 0 HG2 LYS A 74 12.598 -8.668 -6.750 1.00 15.44 H new ATOM 0 HG3 LYS A 74 12.260 -10.388 -6.773 1.00 15.44 H new ATOM 0 HD2 LYS A 74 10.597 -10.053 -8.598 1.00 13.03 H new ATOM 0 HD3 LYS A 74 10.884 -8.325 -8.559 1.00 13.03 H new ATOM 0 HE2 LYS A 74 13.283 -8.721 -9.189 1.00 11.44 H new ATOM 0 HE3 LYS A 74 12.971 -10.445 -9.257 1.00 11.44 H new ATOM 0 HZ1 LYS A 74 12.866 -9.447 -11.445 1.00 23.20 H new ATOM 0 HZ2 LYS A 74 11.340 -10.052 -11.009 1.00 23.20 H new ATOM 0 HZ3 LYS A 74 11.642 -8.382 -10.942 1.00 23.20 H new ATOM 1165 N ASN A 75 7.650 -9.573 -4.463 1.00 62.02 N ATOM 1166 CA ASN A 75 6.796 -9.494 -3.250 1.00 52.11 C ATOM 1167 C ASN A 75 5.284 -9.279 -3.607 1.00 53.10 C ATOM 1168 O ASN A 75 4.712 -8.215 -3.348 1.00 2.32 O ATOM 1169 CB ASN A 75 7.345 -8.411 -2.255 1.00 52.25 C ATOM 1170 CG ASN A 75 7.529 -7.001 -2.857 1.00 71.35 C ATOM 1171 OD1 ASN A 75 7.726 -6.826 -4.055 1.00 73.04 O ATOM 1172 ND2 ASN A 75 7.511 -5.987 -2.016 1.00 11.23 N ATOM 0 H ASN A 75 7.270 -9.067 -5.263 1.00 62.02 H new ATOM 0 HA ASN A 75 6.845 -10.456 -2.740 1.00 52.11 H new ATOM 0 HB2 ASN A 75 6.664 -8.341 -1.407 1.00 52.25 H new ATOM 0 HB3 ASN A 75 8.305 -8.751 -1.866 1.00 52.25 H new ATOM 0 HD21 ASN A 75 7.662 -5.038 -2.358 1.00 11.23 H new ATOM 0 HD22 ASN A 75 7.346 -6.151 -1.023 1.00 11.23 H new ATOM 1179 N PRO A 76 4.598 -10.313 -4.217 1.00 43.14 N ATOM 1180 CA PRO A 76 3.145 -10.226 -4.552 1.00 15.12 C ATOM 1181 C PRO A 76 2.232 -10.444 -3.313 1.00 74.21 C ATOM 1182 O PRO A 76 1.065 -10.034 -3.300 1.00 75.45 O ATOM 1183 CB PRO A 76 2.976 -11.344 -5.611 1.00 14.23 C ATOM 1184 CG PRO A 76 3.986 -12.387 -5.218 1.00 43.33 C ATOM 1185 CD PRO A 76 5.171 -11.627 -4.638 1.00 63.33 C ATOM 0 HA PRO A 76 2.849 -9.241 -4.914 1.00 15.12 H new ATOM 0 HB2 PRO A 76 1.964 -11.748 -5.604 1.00 14.23 H new ATOM 0 HB3 PRO A 76 3.163 -10.969 -6.618 1.00 14.23 H new ATOM 0 HG2 PRO A 76 3.569 -13.077 -4.485 1.00 43.33 H new ATOM 0 HG3 PRO A 76 4.288 -12.982 -6.080 1.00 43.33 H new ATOM 0 HD2 PRO A 76 5.609 -12.159 -3.793 1.00 63.33 H new ATOM 0 HD3 PRO A 76 5.961 -11.498 -5.378 1.00 63.33 H new ATOM 1193 N ASP A 77 2.788 -11.089 -2.270 1.00 70.24 N ATOM 1194 CA ASP A 77 2.103 -11.307 -0.978 1.00 44.13 C ATOM 1195 C ASP A 77 1.987 -10.000 -0.166 1.00 35.32 C ATOM 1196 O ASP A 77 1.177 -9.919 0.751 1.00 10.51 O ATOM 1197 CB ASP A 77 2.870 -12.366 -0.158 1.00 30.01 C ATOM 1198 CG ASP A 77 3.045 -13.675 -0.929 1.00 1.41 C ATOM 1199 OD1 ASP A 77 3.938 -13.741 -1.802 1.00 20.44 O ATOM 1200 OD2 ASP A 77 2.270 -14.631 -0.702 1.00 41.41 O ATOM 0 H ASP A 77 3.731 -11.477 -2.299 1.00 70.24 H new ATOM 0 HA ASP A 77 1.093 -11.659 -1.188 1.00 44.13 H new ATOM 0 HB2 ASP A 77 3.849 -11.973 0.115 1.00 30.01 H new ATOM 0 HB3 ASP A 77 2.335 -12.562 0.771 1.00 30.01 H new ATOM 1205 N LEU A 78 2.806 -8.989 -0.527 1.00 53.13 N ATOM 1206 CA LEU A 78 2.816 -7.658 0.126 1.00 1.41 C ATOM 1207 C LEU A 78 1.400 -7.026 0.141 1.00 12.22 C ATOM 1208 O LEU A 78 0.882 -6.647 1.197 1.00 23.42 O ATOM 1209 CB LEU A 78 3.795 -6.719 -0.631 1.00 20.22 C ATOM 1210 CG LEU A 78 4.025 -5.310 -0.006 1.00 64.24 C ATOM 1211 CD1 LEU A 78 4.843 -5.408 1.302 1.00 55.55 C ATOM 1212 CD2 LEU A 78 4.678 -4.346 -1.024 1.00 1.22 C ATOM 0 H LEU A 78 3.484 -9.072 -1.284 1.00 53.13 H new ATOM 0 HA LEU A 78 3.142 -7.786 1.158 1.00 1.41 H new ATOM 0 HB2 LEU A 78 4.760 -7.221 -0.707 1.00 20.22 H new ATOM 0 HB3 LEU A 78 3.424 -6.586 -1.647 1.00 20.22 H new ATOM 0 HG LEU A 78 3.051 -4.893 0.252 1.00 64.24 H new ATOM 0 HD11 LEU A 78 4.988 -4.410 1.716 1.00 55.55 H new ATOM 0 HD12 LEU A 78 4.305 -6.025 2.022 1.00 55.55 H new ATOM 0 HD13 LEU A 78 5.813 -5.858 1.092 1.00 55.55 H new ATOM 0 HD21 LEU A 78 4.826 -3.371 -0.559 1.00 1.22 H new ATOM 0 HD22 LEU A 78 5.641 -4.748 -1.339 1.00 1.22 H new ATOM 0 HD23 LEU A 78 4.028 -4.239 -1.892 1.00 1.22 H new ATOM 1224 N ARG A 79 0.799 -6.949 -1.057 1.00 43.44 N ATOM 1225 CA ARG A 79 -0.579 -6.455 -1.274 1.00 42.22 C ATOM 1226 C ARG A 79 -1.631 -7.323 -0.542 1.00 65.23 C ATOM 1227 O ARG A 79 -2.580 -6.797 0.056 1.00 21.25 O ATOM 1228 CB ARG A 79 -0.834 -6.412 -2.812 1.00 1.33 C ATOM 1229 CG ARG A 79 -2.270 -6.036 -3.288 1.00 12.43 C ATOM 1230 CD ARG A 79 -3.206 -7.250 -3.491 1.00 11.34 C ATOM 1231 NE ARG A 79 -2.834 -8.072 -4.657 1.00 2.11 N ATOM 1232 CZ ARG A 79 -2.167 -9.212 -4.635 1.00 13.01 C ATOM 1233 NH1 ARG A 79 -1.736 -9.711 -3.519 1.00 51.13 N ATOM 1234 NH2 ARG A 79 -1.964 -9.855 -5.737 1.00 4.25 N ATOM 0 H ARG A 79 1.262 -7.232 -1.921 1.00 43.44 H new ATOM 0 HA ARG A 79 -0.680 -5.455 -0.851 1.00 42.22 H new ATOM 0 HB2 ARG A 79 -0.136 -5.699 -3.250 1.00 1.33 H new ATOM 0 HB3 ARG A 79 -0.588 -7.391 -3.222 1.00 1.33 H new ATOM 0 HG2 ARG A 79 -2.719 -5.363 -2.557 1.00 12.43 H new ATOM 0 HG3 ARG A 79 -2.198 -5.486 -4.226 1.00 12.43 H new ATOM 0 HD2 ARG A 79 -3.188 -7.870 -2.595 1.00 11.34 H new ATOM 0 HD3 ARG A 79 -4.230 -6.897 -3.614 1.00 11.34 H new ATOM 0 HE ARG A 79 -3.120 -7.726 -5.573 1.00 2.11 H new ATOM 0 HH11 ARG A 79 -1.910 -9.222 -2.641 1.00 51.13 H new ATOM 0 HH12 ARG A 79 -1.223 -10.592 -3.519 1.00 51.13 H new ATOM 0 HH21 ARG A 79 -2.318 -9.482 -6.618 1.00 4.25 H new ATOM 0 HH22 ARG A 79 -1.450 -10.736 -5.726 1.00 4.25 H new ATOM 1248 N ARG A 80 -1.442 -8.657 -0.617 1.00 24.11 N ATOM 1249 CA ARG A 80 -2.379 -9.650 -0.044 1.00 10.42 C ATOM 1250 C ARG A 80 -2.501 -9.497 1.491 1.00 30.34 C ATOM 1251 O ARG A 80 -3.602 -9.480 2.030 1.00 62.55 O ATOM 1252 CB ARG A 80 -1.901 -11.086 -0.402 1.00 10.54 C ATOM 1253 CG ARG A 80 -2.828 -12.216 0.099 1.00 61.20 C ATOM 1254 CD ARG A 80 -2.250 -13.628 -0.138 1.00 51.35 C ATOM 1255 NE ARG A 80 -3.152 -14.677 0.369 1.00 64.44 N ATOM 1256 CZ ARG A 80 -3.201 -15.113 1.613 1.00 22.23 C ATOM 1257 NH1 ARG A 80 -2.390 -14.668 2.518 1.00 24.05 N ATOM 1258 NH2 ARG A 80 -4.064 -16.015 1.934 1.00 44.25 N ATOM 0 H ARG A 80 -0.635 -9.078 -1.077 1.00 24.11 H new ATOM 0 HA ARG A 80 -3.365 -9.474 -0.473 1.00 10.42 H new ATOM 0 HB2 ARG A 80 -1.807 -11.164 -1.485 1.00 10.54 H new ATOM 0 HB3 ARG A 80 -0.906 -11.238 0.016 1.00 10.54 H new ATOM 0 HG2 ARG A 80 -3.012 -12.080 1.165 1.00 61.20 H new ATOM 0 HG3 ARG A 80 -3.792 -12.136 -0.404 1.00 61.20 H new ATOM 0 HD2 ARG A 80 -2.080 -13.778 -1.204 1.00 51.35 H new ATOM 0 HD3 ARG A 80 -1.281 -13.712 0.354 1.00 51.35 H new ATOM 0 HE ARG A 80 -3.794 -15.103 -0.300 1.00 64.44 H new ATOM 0 HH11 ARG A 80 -1.693 -13.964 2.276 1.00 24.05 H new ATOM 0 HH12 ARG A 80 -2.448 -15.021 3.473 1.00 24.05 H new ATOM 0 HH21 ARG A 80 -4.701 -16.385 1.229 1.00 44.25 H new ATOM 0 HH22 ARG A 80 -4.110 -16.359 2.893 1.00 44.25 H new ATOM 1272 N ASN A 81 -1.342 -9.358 2.160 1.00 43.01 N ATOM 1273 CA ASN A 81 -1.238 -9.272 3.632 1.00 3.22 C ATOM 1274 C ASN A 81 -1.900 -7.997 4.205 1.00 74.42 C ATOM 1275 O ASN A 81 -2.423 -8.027 5.321 1.00 74.14 O ATOM 1276 CB ASN A 81 0.254 -9.347 4.055 1.00 13.31 C ATOM 1277 CG ASN A 81 0.894 -10.722 3.829 1.00 63.10 C ATOM 1278 OD1 ASN A 81 0.462 -11.511 2.990 1.00 41.14 O ATOM 1279 ND2 ASN A 81 1.951 -11.010 4.559 1.00 24.25 N ATOM 0 H ASN A 81 -0.439 -9.301 1.689 1.00 43.01 H new ATOM 0 HA ASN A 81 -1.784 -10.119 4.048 1.00 3.22 H new ATOM 0 HB2 ASN A 81 0.818 -8.599 3.498 1.00 13.31 H new ATOM 0 HB3 ASN A 81 0.336 -9.088 5.111 1.00 13.31 H new ATOM 0 HD21 ASN A 81 2.429 -11.902 4.435 1.00 24.25 H new ATOM 0 HD22 ASN A 81 2.292 -10.341 5.249 1.00 24.25 H new ATOM 1286 N VAL A 82 -1.866 -6.883 3.443 1.00 33.02 N ATOM 1287 CA VAL A 82 -2.573 -5.630 3.826 1.00 30.23 C ATOM 1288 C VAL A 82 -4.107 -5.867 3.885 1.00 4.12 C ATOM 1289 O VAL A 82 -4.779 -5.473 4.847 1.00 31.12 O ATOM 1290 CB VAL A 82 -2.245 -4.449 2.831 1.00 55.32 C ATOM 1291 CG1 VAL A 82 -2.951 -3.127 3.245 1.00 64.44 C ATOM 1292 CG2 VAL A 82 -0.718 -4.244 2.713 1.00 31.22 C ATOM 0 H VAL A 82 -1.359 -6.820 2.560 1.00 33.02 H new ATOM 0 HA VAL A 82 -2.218 -5.343 4.816 1.00 30.23 H new ATOM 0 HB VAL A 82 -2.634 -4.729 1.852 1.00 55.32 H new ATOM 0 HG11 VAL A 82 -2.698 -2.341 2.533 1.00 64.44 H new ATOM 0 HG12 VAL A 82 -4.031 -3.277 3.251 1.00 64.44 H new ATOM 0 HG13 VAL A 82 -2.620 -2.834 4.241 1.00 64.44 H new ATOM 0 HG21 VAL A 82 -0.513 -3.426 2.023 1.00 31.22 H new ATOM 0 HG22 VAL A 82 -0.306 -4.004 3.693 1.00 31.22 H new ATOM 0 HG23 VAL A 82 -0.256 -5.158 2.340 1.00 31.22 H new ATOM 1302 N LEU A 83 -4.620 -6.561 2.856 1.00 41.14 N ATOM 1303 CA LEU A 83 -6.047 -6.943 2.749 1.00 41.12 C ATOM 1304 C LEU A 83 -6.432 -8.035 3.785 1.00 30.44 C ATOM 1305 O LEU A 83 -7.569 -8.080 4.258 1.00 41.25 O ATOM 1306 CB LEU A 83 -6.333 -7.440 1.310 1.00 75.34 C ATOM 1307 CG LEU A 83 -6.058 -6.407 0.168 1.00 24.53 C ATOM 1308 CD1 LEU A 83 -6.175 -7.056 -1.223 1.00 2.30 C ATOM 1309 CD2 LEU A 83 -6.997 -5.185 0.280 1.00 4.54 C ATOM 0 H LEU A 83 -4.056 -6.877 2.067 1.00 41.14 H new ATOM 0 HA LEU A 83 -6.656 -6.065 2.967 1.00 41.12 H new ATOM 0 HB2 LEU A 83 -5.728 -8.328 1.125 1.00 75.34 H new ATOM 0 HB3 LEU A 83 -7.377 -7.748 1.253 1.00 75.34 H new ATOM 0 HG LEU A 83 -5.032 -6.059 0.289 1.00 24.53 H new ATOM 0 HD11 LEU A 83 -5.978 -6.308 -1.991 1.00 2.30 H new ATOM 0 HD12 LEU A 83 -5.450 -7.865 -1.309 1.00 2.30 H new ATOM 0 HD13 LEU A 83 -7.181 -7.455 -1.355 1.00 2.30 H new ATOM 0 HD21 LEU A 83 -6.781 -4.485 -0.527 1.00 4.54 H new ATOM 0 HD22 LEU A 83 -8.033 -5.515 0.207 1.00 4.54 H new ATOM 0 HD23 LEU A 83 -6.839 -4.692 1.239 1.00 4.54 H new ATOM 1321 N CYS A 84 -5.469 -8.915 4.116 1.00 53.43 N ATOM 1322 CA CYS A 84 -5.650 -9.995 5.123 1.00 65.33 C ATOM 1323 C CYS A 84 -5.477 -9.476 6.574 1.00 71.51 C ATOM 1324 O CYS A 84 -5.748 -10.209 7.526 1.00 41.13 O ATOM 1325 CB CYS A 84 -4.652 -11.150 4.845 1.00 63.24 C ATOM 1326 SG CYS A 84 -4.884 -11.976 3.247 1.00 5.01 S ATOM 0 H CYS A 84 -4.539 -8.903 3.696 1.00 53.43 H new ATOM 0 HA CYS A 84 -6.672 -10.364 5.030 1.00 65.33 H new ATOM 0 HB2 CYS A 84 -3.637 -10.755 4.892 1.00 63.24 H new ATOM 0 HB3 CYS A 84 -4.743 -11.891 5.639 1.00 63.24 H new ATOM 0 HG CYS A 84 -4.557 -11.163 2.287 1.00 5.01 H new ATOM 1332 N GLY A 85 -5.014 -8.218 6.729 1.00 52.34 N ATOM 1333 CA GLY A 85 -4.807 -7.602 8.052 1.00 25.23 C ATOM 1334 C GLY A 85 -3.458 -7.949 8.707 1.00 31.34 C ATOM 1335 O GLY A 85 -3.160 -7.460 9.802 1.00 64.31 O ATOM 0 H GLY A 85 -4.776 -7.607 5.947 1.00 52.34 H new ATOM 0 HA2 GLY A 85 -4.881 -6.519 7.951 1.00 25.23 H new ATOM 0 HA3 GLY A 85 -5.612 -7.916 8.716 1.00 25.23 H new ATOM 1339 N ALA A 86 -2.642 -8.791 8.028 1.00 52.42 N ATOM 1340 CA ALA A 86 -1.295 -9.200 8.505 1.00 65.12 C ATOM 1341 C ALA A 86 -0.300 -8.009 8.504 1.00 3.24 C ATOM 1342 O ALA A 86 0.627 -7.960 9.319 1.00 31.25 O ATOM 1343 CB ALA A 86 -0.762 -10.352 7.637 1.00 71.21 C ATOM 0 H ALA A 86 -2.898 -9.207 7.133 1.00 52.42 H new ATOM 0 HA ALA A 86 -1.390 -9.541 9.536 1.00 65.12 H new ATOM 0 HB1 ALA A 86 0.226 -10.648 7.991 1.00 71.21 H new ATOM 0 HB2 ALA A 86 -1.441 -11.202 7.704 1.00 71.21 H new ATOM 0 HB3 ALA A 86 -0.692 -10.024 6.600 1.00 71.21 H new ATOM 1349 N ILE A 87 -0.506 -7.066 7.564 1.00 11.11 N ATOM 1350 CA ILE A 87 0.192 -5.756 7.530 1.00 3.34 C ATOM 1351 C ILE A 87 -0.862 -4.631 7.692 1.00 24.24 C ATOM 1352 O ILE A 87 -1.856 -4.611 6.955 1.00 54.01 O ATOM 1353 CB ILE A 87 0.986 -5.560 6.176 1.00 53.45 C ATOM 1354 CG1 ILE A 87 2.039 -6.703 5.969 1.00 51.15 C ATOM 1355 CG2 ILE A 87 1.673 -4.167 6.113 1.00 24.42 C ATOM 1356 CD1 ILE A 87 2.814 -6.638 4.657 1.00 60.22 C ATOM 0 H ILE A 87 -1.167 -7.189 6.797 1.00 11.11 H new ATOM 0 HA ILE A 87 0.916 -5.720 8.344 1.00 3.34 H new ATOM 0 HB ILE A 87 0.260 -5.611 5.365 1.00 53.45 H new ATOM 0 HG12 ILE A 87 2.750 -6.675 6.795 1.00 51.15 H new ATOM 0 HG13 ILE A 87 1.526 -7.663 6.023 1.00 51.15 H new ATOM 0 HG21 ILE A 87 2.209 -4.068 5.169 1.00 24.42 H new ATOM 0 HG22 ILE A 87 0.917 -3.385 6.185 1.00 24.42 H new ATOM 0 HG23 ILE A 87 2.375 -4.070 6.941 1.00 24.42 H new ATOM 0 HD11 ILE A 87 3.517 -7.470 4.608 1.00 60.22 H new ATOM 0 HD12 ILE A 87 2.118 -6.700 3.820 1.00 60.22 H new ATOM 0 HD13 ILE A 87 3.362 -5.697 4.604 1.00 60.22 H new ATOM 1368 N THR A 88 -0.657 -3.711 8.661 1.00 52.40 N ATOM 1369 CA THR A 88 -1.599 -2.576 8.888 1.00 51.43 C ATOM 1370 C THR A 88 -1.428 -1.488 7.798 1.00 74.51 C ATOM 1371 O THR A 88 -0.330 -1.355 7.232 1.00 34.11 O ATOM 1372 CB THR A 88 -1.421 -1.902 10.300 1.00 63.31 C ATOM 1373 OG1 THR A 88 -0.197 -1.148 10.363 1.00 5.25 O ATOM 1374 CG2 THR A 88 -1.444 -2.939 11.434 1.00 52.03 C ATOM 0 H THR A 88 0.141 -3.725 9.296 1.00 52.40 H new ATOM 0 HA THR A 88 -2.598 -3.008 8.840 1.00 51.43 H new ATOM 0 HB THR A 88 -2.265 -1.226 10.434 1.00 63.31 H new ATOM 0 HG1 THR A 88 -0.111 -0.738 11.249 1.00 5.25 H new ATOM 0 HG21 THR A 88 -1.318 -2.434 12.392 1.00 52.03 H new ATOM 0 HG22 THR A 88 -2.397 -3.467 11.425 1.00 52.03 H new ATOM 0 HG23 THR A 88 -0.633 -3.653 11.291 1.00 52.03 H new ATOM 1382 N PRO A 89 -2.516 -0.701 7.470 1.00 25.14 N ATOM 1383 CA PRO A 89 -2.438 0.455 6.532 1.00 63.52 C ATOM 1384 C PRO A 89 -1.283 1.449 6.829 1.00 41.42 C ATOM 1385 O PRO A 89 -0.737 2.064 5.899 1.00 54.33 O ATOM 1386 CB PRO A 89 -3.818 1.139 6.695 1.00 61.14 C ATOM 1387 CG PRO A 89 -4.744 0.020 7.049 1.00 61.31 C ATOM 1388 CD PRO A 89 -3.926 -0.913 7.929 1.00 63.34 C ATOM 0 HA PRO A 89 -2.220 0.119 5.518 1.00 63.52 H new ATOM 0 HB2 PRO A 89 -3.796 1.899 7.476 1.00 61.14 H new ATOM 0 HB3 PRO A 89 -4.127 1.636 5.775 1.00 61.14 H new ATOM 0 HG2 PRO A 89 -5.623 0.389 7.577 1.00 61.31 H new ATOM 0 HG3 PRO A 89 -5.101 -0.493 6.156 1.00 61.31 H new ATOM 0 HD2 PRO A 89 -4.043 -0.670 8.985 1.00 63.34 H new ATOM 0 HD3 PRO A 89 -4.234 -1.951 7.805 1.00 63.34 H new ATOM 1396 N GLN A 90 -0.908 1.595 8.120 1.00 64.53 N ATOM 1397 CA GLN A 90 0.231 2.448 8.512 1.00 71.31 C ATOM 1398 C GLN A 90 1.576 1.786 8.161 1.00 11.34 C ATOM 1399 O GLN A 90 2.437 2.439 7.580 1.00 54.14 O ATOM 1400 CB GLN A 90 0.213 2.803 10.022 1.00 53.30 C ATOM 1401 CG GLN A 90 1.274 3.867 10.410 1.00 22.20 C ATOM 1402 CD GLN A 90 1.396 4.116 11.912 1.00 41.32 C ATOM 1403 OE1 GLN A 90 0.701 4.956 12.481 1.00 32.33 O ATOM 1404 NE2 GLN A 90 2.309 3.417 12.561 1.00 22.31 N ATOM 0 H GLN A 90 -1.375 1.136 8.902 1.00 64.53 H new ATOM 0 HA GLN A 90 0.124 3.372 7.943 1.00 71.31 H new ATOM 0 HB2 GLN A 90 -0.777 3.171 10.291 1.00 53.30 H new ATOM 0 HB3 GLN A 90 0.385 1.898 10.604 1.00 53.30 H new ATOM 0 HG2 GLN A 90 2.244 3.552 10.026 1.00 22.20 H new ATOM 0 HG3 GLN A 90 1.026 4.807 9.917 1.00 22.20 H new ATOM 0 HE21 GLN A 90 2.871 2.727 12.064 1.00 22.31 H new ATOM 0 HE22 GLN A 90 2.452 3.567 13.560 1.00 22.31 H new ATOM 1413 N GLN A 91 1.727 0.480 8.499 1.00 0.34 N ATOM 1414 CA GLN A 91 2.985 -0.285 8.266 1.00 15.55 C ATOM 1415 C GLN A 91 3.427 -0.218 6.788 1.00 73.51 C ATOM 1416 O GLN A 91 4.530 0.225 6.495 1.00 32.32 O ATOM 1417 CB GLN A 91 2.825 -1.770 8.711 1.00 64.13 C ATOM 1418 CG GLN A 91 2.833 -2.003 10.239 1.00 11.22 C ATOM 1419 CD GLN A 91 2.462 -3.439 10.643 1.00 30.15 C ATOM 1420 OE1 GLN A 91 2.673 -4.390 9.896 1.00 4.31 O ATOM 1421 NE2 GLN A 91 1.915 -3.615 11.833 1.00 51.14 N ATOM 0 H GLN A 91 0.989 -0.071 8.937 1.00 0.34 H new ATOM 0 HA GLN A 91 3.762 0.181 8.872 1.00 15.55 H new ATOM 0 HB2 GLN A 91 1.889 -2.155 8.306 1.00 64.13 H new ATOM 0 HB3 GLN A 91 3.630 -2.355 8.266 1.00 64.13 H new ATOM 0 HG2 GLN A 91 3.824 -1.769 10.629 1.00 11.22 H new ATOM 0 HG3 GLN A 91 2.134 -1.310 10.708 1.00 11.22 H new ATOM 0 HE21 GLN A 91 1.747 -2.813 12.441 1.00 51.14 H new ATOM 0 HE22 GLN A 91 1.661 -4.553 12.144 1.00 51.14 H new ATOM 1430 N ILE A 92 2.524 -0.611 5.877 1.00 34.41 N ATOM 1431 CA ILE A 92 2.789 -0.613 4.415 1.00 14.33 C ATOM 1432 C ILE A 92 3.050 0.822 3.845 1.00 73.43 C ATOM 1433 O ILE A 92 3.809 0.987 2.883 1.00 12.40 O ATOM 1434 CB ILE A 92 1.606 -1.328 3.651 1.00 32.23 C ATOM 1435 CG1 ILE A 92 1.852 -1.404 2.104 1.00 72.12 C ATOM 1436 CG2 ILE A 92 0.247 -0.660 3.968 1.00 21.14 C ATOM 1437 CD1 ILE A 92 3.120 -2.130 1.686 1.00 23.01 C ATOM 0 H ILE A 92 1.589 -0.937 6.124 1.00 34.41 H new ATOM 0 HA ILE A 92 3.708 -1.175 4.250 1.00 14.33 H new ATOM 0 HB ILE A 92 1.572 -2.354 4.017 1.00 32.23 H new ATOM 0 HG12 ILE A 92 0.999 -1.900 1.640 1.00 72.12 H new ATOM 0 HG13 ILE A 92 1.886 -0.389 1.707 1.00 72.12 H new ATOM 0 HG21 ILE A 92 -0.547 -1.175 3.427 1.00 21.14 H new ATOM 0 HG22 ILE A 92 0.054 -0.719 5.039 1.00 21.14 H new ATOM 0 HG23 ILE A 92 0.275 0.386 3.662 1.00 21.14 H new ATOM 0 HD11 ILE A 92 3.199 -2.128 0.599 1.00 23.01 H new ATOM 0 HD12 ILE A 92 3.986 -1.625 2.113 1.00 23.01 H new ATOM 0 HD13 ILE A 92 3.086 -3.158 2.046 1.00 23.01 H new ATOM 1449 N ALA A 93 2.441 1.850 4.466 1.00 75.45 N ATOM 1450 CA ALA A 93 2.597 3.260 4.032 1.00 41.42 C ATOM 1451 C ALA A 93 3.959 3.868 4.465 1.00 4.54 C ATOM 1452 O ALA A 93 4.619 4.538 3.670 1.00 52.02 O ATOM 1453 CB ALA A 93 1.434 4.104 4.568 1.00 14.52 C ATOM 0 H ALA A 93 1.832 1.733 5.276 1.00 75.45 H new ATOM 0 HA ALA A 93 2.581 3.270 2.942 1.00 41.42 H new ATOM 0 HB1 ALA A 93 1.556 5.138 4.245 1.00 14.52 H new ATOM 0 HB2 ALA A 93 0.492 3.712 4.183 1.00 14.52 H new ATOM 0 HB3 ALA A 93 1.426 4.063 5.657 1.00 14.52 H new ATOM 1459 N VAL A 94 4.368 3.615 5.726 1.00 54.50 N ATOM 1460 CA VAL A 94 5.608 4.188 6.312 1.00 34.03 C ATOM 1461 C VAL A 94 6.871 3.361 5.938 1.00 2.15 C ATOM 1462 O VAL A 94 7.976 3.906 5.912 1.00 65.44 O ATOM 1463 CB VAL A 94 5.507 4.322 7.888 1.00 64.32 C ATOM 1464 CG1 VAL A 94 4.279 5.176 8.307 1.00 52.25 C ATOM 1465 CG2 VAL A 94 5.489 2.940 8.594 1.00 50.01 C ATOM 0 H VAL A 94 3.854 3.011 6.368 1.00 54.50 H new ATOM 0 HA VAL A 94 5.711 5.184 5.882 1.00 34.03 H new ATOM 0 HB VAL A 94 6.408 4.841 8.217 1.00 64.32 H new ATOM 0 HG11 VAL A 94 4.240 5.248 9.394 1.00 52.25 H new ATOM 0 HG12 VAL A 94 4.368 6.175 7.880 1.00 52.25 H new ATOM 0 HG13 VAL A 94 3.367 4.705 7.941 1.00 52.25 H new ATOM 0 HG21 VAL A 94 5.419 3.083 9.672 1.00 50.01 H new ATOM 0 HG22 VAL A 94 4.630 2.366 8.248 1.00 50.01 H new ATOM 0 HG23 VAL A 94 6.406 2.399 8.359 1.00 50.01 H new ATOM 1475 N MET A 95 6.687 2.057 5.643 1.00 11.34 N ATOM 1476 CA MET A 95 7.795 1.134 5.297 1.00 24.44 C ATOM 1477 C MET A 95 8.447 1.506 3.943 1.00 2.34 C ATOM 1478 O MET A 95 7.762 1.601 2.917 1.00 4.34 O ATOM 1479 CB MET A 95 7.271 -0.325 5.265 1.00 15.41 C ATOM 1480 CG MET A 95 8.289 -1.394 4.857 1.00 70.13 C ATOM 1481 SD MET A 95 7.641 -3.076 5.002 1.00 10.32 S ATOM 1482 CE MET A 95 6.193 -3.016 3.943 1.00 0.11 C ATOM 0 H MET A 95 5.769 1.612 5.637 1.00 11.34 H new ATOM 0 HA MET A 95 8.564 1.225 6.064 1.00 24.44 H new ATOM 0 HB2 MET A 95 6.888 -0.575 6.255 1.00 15.41 H new ATOM 0 HB3 MET A 95 6.428 -0.372 4.576 1.00 15.41 H new ATOM 0 HG2 MET A 95 8.600 -1.218 3.827 1.00 70.13 H new ATOM 0 HG3 MET A 95 9.178 -1.298 5.480 1.00 70.13 H new ATOM 0 HE1 MET A 95 5.732 -4.003 3.901 1.00 0.11 H new ATOM 0 HE2 MET A 95 5.478 -2.298 4.345 1.00 0.11 H new ATOM 0 HE3 MET A 95 6.489 -2.711 2.939 1.00 0.11 H new ATOM 1492 N THR A 96 9.779 1.687 3.955 1.00 25.23 N ATOM 1493 CA THR A 96 10.554 2.046 2.743 1.00 50.53 C ATOM 1494 C THR A 96 10.915 0.780 1.921 1.00 75.33 C ATOM 1495 O THR A 96 10.750 -0.348 2.405 1.00 73.23 O ATOM 1496 CB THR A 96 11.858 2.836 3.109 1.00 61.22 C ATOM 1497 OG1 THR A 96 12.497 3.308 1.908 1.00 61.20 O ATOM 1498 CG2 THR A 96 12.860 1.985 3.923 1.00 24.41 C ATOM 0 H THR A 96 10.350 1.591 4.795 1.00 25.23 H new ATOM 0 HA THR A 96 9.922 2.693 2.135 1.00 50.53 H new ATOM 0 HB THR A 96 11.557 3.676 3.735 1.00 61.22 H new ATOM 0 HG1 THR A 96 13.310 3.802 2.143 1.00 61.20 H new ATOM 0 HG21 THR A 96 13.744 2.581 4.149 1.00 24.41 H new ATOM 0 HG22 THR A 96 12.392 1.663 4.853 1.00 24.41 H new ATOM 0 HG23 THR A 96 13.151 1.110 3.341 1.00 24.41 H new ATOM 1506 N SER A 97 11.440 0.987 0.695 1.00 51.42 N ATOM 1507 CA SER A 97 11.773 -0.107 -0.257 1.00 32.43 C ATOM 1508 C SER A 97 12.856 -1.072 0.288 1.00 61.42 C ATOM 1509 O SER A 97 12.839 -2.254 -0.043 1.00 75.14 O ATOM 1510 CB SER A 97 12.228 0.484 -1.610 1.00 45.41 C ATOM 1511 OG SER A 97 13.392 1.283 -1.463 1.00 3.45 O ATOM 0 H SER A 97 11.647 1.917 0.332 1.00 51.42 H new ATOM 0 HA SER A 97 10.864 -0.692 -0.394 1.00 32.43 H new ATOM 0 HB2 SER A 97 12.427 -0.325 -2.313 1.00 45.41 H new ATOM 0 HB3 SER A 97 11.424 1.085 -2.035 1.00 45.41 H new ATOM 0 HG SER A 97 13.656 1.641 -2.336 1.00 3.45 H new ATOM 1517 N GLU A 98 13.786 -0.556 1.133 1.00 71.14 N ATOM 1518 CA GLU A 98 14.855 -1.381 1.771 1.00 4.30 C ATOM 1519 C GLU A 98 14.256 -2.538 2.620 1.00 33.33 C ATOM 1520 O GLU A 98 14.616 -3.698 2.439 1.00 45.51 O ATOM 1521 CB GLU A 98 15.776 -0.499 2.662 1.00 64.11 C ATOM 1522 CG GLU A 98 16.954 -1.264 3.322 1.00 75.23 C ATOM 1523 CD GLU A 98 17.762 -0.412 4.320 1.00 11.24 C ATOM 1524 OE1 GLU A 98 18.712 0.282 3.896 1.00 70.22 O ATOM 1525 OE2 GLU A 98 17.449 -0.432 5.532 1.00 41.35 O ATOM 0 H GLU A 98 13.820 0.430 1.391 1.00 71.14 H new ATOM 0 HA GLU A 98 15.447 -1.818 0.967 1.00 4.30 H new ATOM 0 HB2 GLU A 98 16.180 0.312 2.055 1.00 64.11 H new ATOM 0 HB3 GLU A 98 15.172 -0.041 3.445 1.00 64.11 H new ATOM 0 HG2 GLU A 98 16.563 -2.140 3.839 1.00 75.23 H new ATOM 0 HG3 GLU A 98 17.623 -1.627 2.542 1.00 75.23 H new ATOM 1532 N GLU A 99 13.325 -2.181 3.525 1.00 43.24 N ATOM 1533 CA GLU A 99 12.628 -3.145 4.416 1.00 54.22 C ATOM 1534 C GLU A 99 11.699 -4.077 3.598 1.00 73.45 C ATOM 1535 O GLU A 99 11.665 -5.298 3.799 1.00 62.10 O ATOM 1536 CB GLU A 99 11.781 -2.367 5.455 1.00 14.54 C ATOM 1537 CG GLU A 99 12.537 -1.281 6.243 1.00 10.24 C ATOM 1538 CD GLU A 99 11.601 -0.420 7.112 1.00 74.11 C ATOM 1539 OE1 GLU A 99 11.007 0.548 6.582 1.00 2.33 O ATOM 1540 OE2 GLU A 99 11.450 -0.706 8.320 1.00 2.23 O ATOM 0 H GLU A 99 13.030 -1.215 3.664 1.00 43.24 H new ATOM 0 HA GLU A 99 13.378 -3.753 4.922 1.00 54.22 H new ATOM 0 HB2 GLU A 99 10.942 -1.900 4.939 1.00 14.54 H new ATOM 0 HB3 GLU A 99 11.361 -3.081 6.164 1.00 14.54 H new ATOM 0 HG2 GLU A 99 13.285 -1.754 6.880 1.00 10.24 H new ATOM 0 HG3 GLU A 99 13.073 -0.638 5.545 1.00 10.24 H new ATOM 1547 N MET A 100 10.980 -3.449 2.655 1.00 62.52 N ATOM 1548 CA MET A 100 9.967 -4.090 1.797 1.00 73.42 C ATOM 1549 C MET A 100 10.593 -5.133 0.823 1.00 45.22 C ATOM 1550 O MET A 100 9.923 -6.085 0.396 1.00 54.41 O ATOM 1551 CB MET A 100 9.247 -2.957 1.016 1.00 23.01 C ATOM 1552 CG MET A 100 8.047 -3.380 0.173 1.00 3.42 C ATOM 1553 SD MET A 100 7.284 -1.995 -0.710 1.00 44.12 S ATOM 1554 CE MET A 100 6.801 -0.903 0.629 1.00 24.30 C ATOM 0 H MET A 100 11.089 -2.453 2.462 1.00 62.52 H new ATOM 0 HA MET A 100 9.262 -4.648 2.413 1.00 73.42 H new ATOM 0 HB2 MET A 100 8.915 -2.204 1.731 1.00 23.01 H new ATOM 0 HB3 MET A 100 9.974 -2.476 0.361 1.00 23.01 H new ATOM 0 HG2 MET A 100 8.363 -4.134 -0.548 1.00 3.42 H new ATOM 0 HG3 MET A 100 7.303 -3.848 0.818 1.00 3.42 H new ATOM 0 HE1 MET A 100 6.402 0.024 0.217 1.00 24.30 H new ATOM 0 HE2 MET A 100 6.037 -1.388 1.237 1.00 24.30 H new ATOM 0 HE3 MET A 100 7.670 -0.680 1.248 1.00 24.30 H new