USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1069 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: B 25 ASN : amide:sc= -0.131 K(o=-0.039,f=-3.3) USER MOD Set 1.2: B 29 LYS NZ :NH3+ -154:sc= 0.0917 (180deg=0.182) USER MOD Set 2.1: B 7 THR OG1 : rot -78:sc= 1.02 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 3.1: B 6 LYS NZ :NH3+ -167:sc= 1.26 (180deg=-0.311) USER MOD Set 3.2: B 12 THR OG1 : rot 17:sc= 1.04 USER MOD Set 4.1: A 59 GLN : amide:sc= -0.996! C(o=0.11!,f=-5!) USER MOD Set 4.2: B 68 HIS : no HE2:sc= 1.11 K(o=0.11,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.792 (180deg=-1.03!) USER MOD Single : A 12 GLN : amide:sc= 0.0481 X(o=0.048,f=-0.047) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.085) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -117:sc= 1.27 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0837) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0631) USER MOD Single : A 39 SER OG : rot 75:sc= 0.377 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= -0.0201 (180deg=-0.245) USER MOD Single : A 44 MET CE :methyl 157:sc= -0.282 (180deg=-1.1) USER MOD Single : A 45 CYS SG : rot -130:sc= -0.39 USER MOD Single : A 46 GLN : amide:sc= 0.928 K(o=0.93,f=-0.74) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -137:sc= 0 (180deg=-1.14) USER MOD Single : B 1 MET N :NH3+ 176:sc= 2.45 (180deg=2.3) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 165:sc= -0.0197 (180deg=-0.247) USER MOD Single : B 14 THR OG1 : rot -94:sc= 0.00405 USER MOD Single : B 19 SER OG : rot 180:sc= 0.0356 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.534 USER MOD Single : B 27 LYS NZ :NH3+ -174:sc= 0.292! (180deg=0.216!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN :FLIP amide:sc= -9.75! C(o=-10!,f=-9.7!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : B 41 GLN :FLIP amide:sc= -6.13! C(o=-6.9!,f=-6.1!) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.0221 (180deg=-0.206) USER MOD Single : B 49 GLN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : B 55 THR OG1 : rot -61:sc= 1.34 USER MOD Single : B 57 SER OG : rot 83:sc= -0.265 USER MOD Single : B 59 TYR OH : rot 180:sc= 0.566 USER MOD Single : B 60 ASN :FLIP amide:sc= -0.107 F(o=-1.6!,f=-0.11) USER MOD Single : B 62 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.97) USER MOD Single : B 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0525) USER MOD Single : B 65 SER OG : rot -129:sc= -0.35 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -19.304 2.799 1.026 1.00 0.00 N ATOM 97 CA LYS A 7 -18.678 3.203 -0.223 1.00 0.00 C ATOM 98 C LYS A 7 -18.374 1.968 -1.057 1.00 0.00 C ATOM 99 O LYS A 7 -18.300 0.863 -0.521 1.00 0.00 O ATOM 100 CB LYS A 7 -17.390 3.966 0.058 1.00 0.00 C ATOM 101 CG LYS A 7 -17.538 5.078 1.087 1.00 0.00 C ATOM 102 CD LYS A 7 -18.409 6.209 0.567 1.00 0.00 C ATOM 103 CE LYS A 7 -17.703 7.545 0.708 1.00 0.00 C ATOM 104 NZ LYS A 7 -16.326 7.496 0.148 1.00 0.00 N ATOM 0 HA LYS A 7 -19.359 3.855 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.632 3.263 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.024 4.395 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.973 4.673 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.554 5.467 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.655 6.032 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.350 6.231 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -18.278 8.317 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.659 7.825 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.044 8.447 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.666 7.160 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.304 6.846 -0.663 1.00 0.00 H new ATOM 118 N ARG A 8 -18.190 2.140 -2.357 1.00 0.00 N ATOM 119 CA ARG A 8 -17.957 0.998 -3.235 1.00 0.00 C ATOM 120 C ARG A 8 -16.723 1.211 -4.103 1.00 0.00 C ATOM 121 O ARG A 8 -16.633 2.193 -4.844 1.00 0.00 O ATOM 122 CB ARG A 8 -19.179 0.744 -4.115 1.00 0.00 C ATOM 123 CG ARG A 8 -20.449 0.465 -3.329 1.00 0.00 C ATOM 124 CD ARG A 8 -21.619 0.175 -4.252 1.00 0.00 C ATOM 125 NE ARG A 8 -21.398 -1.023 -5.063 1.00 0.00 N ATOM 126 CZ ARG A 8 -21.583 -1.073 -6.380 1.00 0.00 C ATOM 127 NH1 ARG A 8 -21.940 0.017 -7.044 1.00 0.00 N ATOM 128 NH2 ARG A 8 -21.393 -2.215 -7.031 1.00 0.00 N ATOM 0 H ARG A 8 -18.197 3.046 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.784 0.125 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.341 1.611 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.974 -0.102 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.288 -0.384 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.685 1.323 -2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.525 0.049 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.784 1.030 -4.907 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.083 -1.870 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.074 0.897 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.081 -0.024 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.106 -3.051 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.534 -2.256 -8.040 1.00 0.00 H new ATOM 142 N GLY A 9 -15.783 0.279 -4.021 1.00 0.00 N ATOM 143 CA GLY A 9 -14.553 0.407 -4.773 1.00 0.00 C ATOM 144 C GLY A 9 -13.957 -0.932 -5.168 1.00 0.00 C ATOM 145 O GLY A 9 -14.377 -1.983 -4.679 1.00 0.00 O ATOM 0 H GLY A 9 -15.851 -0.562 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.743 0.993 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.826 0.961 -4.179 1.00 0.00 H new ATOM 149 N ILE A 10 -12.990 -0.887 -6.073 1.00 0.00 N ATOM 150 CA ILE A 10 -12.248 -2.072 -6.481 1.00 0.00 C ATOM 151 C ILE A 10 -10.775 -1.891 -6.149 1.00 0.00 C ATOM 152 O ILE A 10 -10.181 -0.865 -6.489 1.00 0.00 O ATOM 153 CB ILE A 10 -12.368 -2.336 -8.001 1.00 0.00 C ATOM 154 CG1 ILE A 10 -13.832 -2.445 -8.422 1.00 0.00 C ATOM 155 CG2 ILE A 10 -11.616 -3.606 -8.379 1.00 0.00 C ATOM 156 CD1 ILE A 10 -14.020 -2.546 -9.921 1.00 0.00 C ATOM 0 H ILE A 10 -12.698 -0.031 -6.544 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.672 -2.920 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.923 -1.492 -8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.275 -3.321 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.374 -1.575 -8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.709 -3.779 -9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.563 -3.496 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.037 -4.453 -7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.083 -2.621 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.607 -1.658 -10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.506 -3.432 -10.293 1.00 0.00 H new ATOM 168 N VAL A 11 -10.184 -2.870 -5.486 1.00 0.00 N ATOM 169 CA VAL A 11 -8.758 -2.824 -5.213 1.00 0.00 C ATOM 170 C VAL A 11 -7.970 -3.151 -6.483 1.00 0.00 C ATOM 171 O VAL A 11 -8.144 -4.211 -7.091 1.00 0.00 O ATOM 172 CB VAL A 11 -8.354 -3.765 -4.056 1.00 0.00 C ATOM 173 CG1 VAL A 11 -8.830 -5.186 -4.300 1.00 0.00 C ATOM 174 CG2 VAL A 11 -6.850 -3.730 -3.841 1.00 0.00 C ATOM 0 H VAL A 11 -10.663 -3.697 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.515 -1.811 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.843 -3.407 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.528 -5.819 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.916 -5.196 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.388 -5.565 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.584 -4.399 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.345 -4.052 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.541 -2.714 -3.595 1.00 0.00 H new ATOM 184 N GLN A 12 -7.121 -2.218 -6.889 1.00 0.00 N ATOM 185 CA GLN A 12 -6.395 -2.328 -8.148 1.00 0.00 C ATOM 186 C GLN A 12 -5.211 -3.280 -8.027 1.00 0.00 C ATOM 187 O GLN A 12 -4.841 -3.953 -8.989 1.00 0.00 O ATOM 188 CB GLN A 12 -5.902 -0.951 -8.594 1.00 0.00 C ATOM 189 CG GLN A 12 -7.011 0.073 -8.791 1.00 0.00 C ATOM 190 CD GLN A 12 -8.007 -0.339 -9.857 1.00 0.00 C ATOM 191 OE1 GLN A 12 -7.820 -0.055 -11.038 1.00 0.00 O ATOM 192 NE2 GLN A 12 -9.081 -0.996 -9.447 1.00 0.00 N ATOM 0 H GLN A 12 -6.916 -1.370 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.082 -2.730 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.199 -0.571 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.352 -1.059 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.536 0.220 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.570 1.032 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.199 -1.213 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.790 -1.285 -10.121 1.00 0.00 H new ATOM 201 N TYR A 13 -4.626 -3.335 -6.840 1.00 0.00 N ATOM 202 CA TYR A 13 -3.426 -4.131 -6.611 1.00 0.00 C ATOM 203 C TYR A 13 -3.752 -5.304 -5.697 1.00 0.00 C ATOM 204 O TYR A 13 -4.903 -5.498 -5.316 1.00 0.00 O ATOM 205 CB TYR A 13 -2.330 -3.277 -5.959 1.00 0.00 C ATOM 206 CG TYR A 13 -2.192 -1.882 -6.530 1.00 0.00 C ATOM 207 CD1 TYR A 13 -3.043 -0.865 -6.122 1.00 0.00 C ATOM 208 CD2 TYR A 13 -1.208 -1.578 -7.462 1.00 0.00 C ATOM 209 CE1 TYR A 13 -2.923 0.412 -6.625 1.00 0.00 C ATOM 210 CE2 TYR A 13 -1.080 -0.299 -7.971 1.00 0.00 C ATOM 211 CZ TYR A 13 -1.943 0.692 -7.548 1.00 0.00 C ATOM 212 OH TYR A 13 -1.821 1.969 -8.047 1.00 0.00 O ATOM 0 H TYR A 13 -4.963 -2.836 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.068 -4.499 -7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.536 -3.199 -4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.376 -3.794 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.814 -1.078 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.533 -2.353 -7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.596 1.190 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.310 -0.077 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.080 2.001 -8.688 1.00 0.00 H new ATOM 222 N ASP A 14 -2.744 -6.088 -5.358 1.00 0.00 N ATOM 223 CA ASP A 14 -2.898 -7.129 -4.352 1.00 0.00 C ATOM 224 C ASP A 14 -2.417 -6.599 -3.013 1.00 0.00 C ATOM 225 O ASP A 14 -1.689 -5.608 -2.965 1.00 0.00 O ATOM 226 CB ASP A 14 -2.099 -8.384 -4.723 1.00 0.00 C ATOM 227 CG ASP A 14 -2.687 -9.138 -5.897 1.00 0.00 C ATOM 228 OD1 ASP A 14 -3.544 -10.019 -5.675 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.297 -8.857 -7.050 1.00 0.00 O ATOM 0 H ASP A 14 -1.810 -6.025 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.951 -7.403 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.074 -8.098 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.054 -9.047 -3.859 1.00 0.00 H new ATOM 234 N PHE A 15 -2.827 -7.236 -1.932 1.00 0.00 N ATOM 235 CA PHE A 15 -2.330 -6.875 -0.618 1.00 0.00 C ATOM 236 C PHE A 15 -2.297 -8.089 0.295 1.00 0.00 C ATOM 237 O PHE A 15 -3.328 -8.532 0.804 1.00 0.00 O ATOM 238 CB PHE A 15 -3.172 -5.761 0.010 1.00 0.00 C ATOM 239 CG PHE A 15 -2.687 -5.344 1.373 1.00 0.00 C ATOM 240 CD1 PHE A 15 -1.452 -4.732 1.526 1.00 0.00 C ATOM 241 CD2 PHE A 15 -3.457 -5.579 2.500 1.00 0.00 C ATOM 242 CE1 PHE A 15 -0.998 -4.359 2.776 1.00 0.00 C ATOM 243 CE2 PHE A 15 -3.008 -5.210 3.753 1.00 0.00 C ATOM 244 CZ PHE A 15 -1.777 -4.599 3.891 1.00 0.00 C ATOM 0 H PHE A 15 -3.500 -8.003 -1.938 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.314 -6.501 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.166 -4.894 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.206 -6.096 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.838 -4.545 0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.420 -6.057 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.036 -3.881 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.619 -5.399 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.424 -4.309 4.870 1.00 0.00 H new ATOM 254 N MET A 16 -1.107 -8.632 0.485 1.00 0.00 N ATOM 255 CA MET A 16 -0.919 -9.755 1.384 1.00 0.00 C ATOM 256 C MET A 16 -0.774 -9.252 2.812 1.00 0.00 C ATOM 257 O MET A 16 0.212 -8.599 3.153 1.00 0.00 O ATOM 258 CB MET A 16 0.312 -10.567 0.981 1.00 0.00 C ATOM 259 CG MET A 16 0.170 -11.256 -0.367 1.00 0.00 C ATOM 260 SD MET A 16 1.629 -12.213 -0.820 1.00 0.00 S ATOM 261 CE MET A 16 1.052 -12.996 -2.324 1.00 0.00 C ATOM 0 H MET A 16 -0.254 -8.311 0.026 1.00 0.00 H new ATOM 0 HA MET A 16 -1.792 -10.405 1.321 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.179 -9.907 0.953 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.508 -11.319 1.746 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.698 -11.915 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.020 -10.506 -1.135 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.842 -13.627 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.177 -13.608 -2.103 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.785 -12.231 -3.053 1.00 0.00 H new ATOM 271 N ALA A 17 -1.773 -9.534 3.632 1.00 0.00 N ATOM 272 CA ALA A 17 -1.780 -9.081 5.013 1.00 0.00 C ATOM 273 C ALA A 17 -1.104 -10.095 5.921 1.00 0.00 C ATOM 274 O ALA A 17 -1.121 -11.299 5.650 1.00 0.00 O ATOM 275 CB ALA A 17 -3.202 -8.833 5.475 1.00 0.00 C ATOM 0 H ALA A 17 -2.593 -10.077 3.363 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.220 -8.147 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.194 -8.494 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.661 -8.069 4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.775 -9.757 5.400 1.00 0.00 H new ATOM 281 N GLU A 18 -0.517 -9.607 7.000 1.00 0.00 N ATOM 282 CA GLU A 18 0.133 -10.470 7.970 1.00 0.00 C ATOM 283 C GLU A 18 -0.336 -10.123 9.381 1.00 0.00 C ATOM 284 O GLU A 18 -0.246 -10.939 10.300 1.00 0.00 O ATOM 285 CB GLU A 18 1.656 -10.359 7.853 1.00 0.00 C ATOM 286 CG GLU A 18 2.406 -11.357 8.722 1.00 0.00 C ATOM 287 CD GLU A 18 3.886 -11.399 8.417 1.00 0.00 C ATOM 288 OE1 GLU A 18 4.610 -10.471 8.827 1.00 0.00 O ATOM 289 OE2 GLU A 18 4.332 -12.366 7.760 1.00 0.00 O ATOM 0 H GLU A 18 -0.477 -8.613 7.227 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.144 -11.504 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.944 -10.507 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.961 -9.349 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.263 -11.099 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.981 -12.350 8.577 1.00 0.00 H new ATOM 296 N SER A 19 -0.849 -8.911 9.546 1.00 0.00 N ATOM 297 CA SER A 19 -1.447 -8.507 10.806 1.00 0.00 C ATOM 298 C SER A 19 -2.934 -8.851 10.792 1.00 0.00 C ATOM 299 O SER A 19 -3.554 -8.893 9.729 1.00 0.00 O ATOM 300 CB SER A 19 -1.252 -7.005 11.034 1.00 0.00 C ATOM 301 OG SER A 19 0.119 -6.644 10.958 1.00 0.00 O ATOM 0 H SER A 19 -0.862 -8.193 8.822 1.00 0.00 H new ATOM 0 HA SER A 19 -0.960 -9.041 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.819 -6.446 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.649 -6.729 12.011 1.00 0.00 H new ATOM 0 HG SER A 19 0.286 -5.872 11.537 1.00 0.00 H new ATOM 307 N GLN A 20 -3.508 -9.090 11.961 1.00 0.00 N ATOM 308 CA GLN A 20 -4.910 -9.481 12.055 1.00 0.00 C ATOM 309 C GLN A 20 -5.827 -8.298 11.771 1.00 0.00 C ATOM 310 O GLN A 20 -6.982 -8.472 11.382 1.00 0.00 O ATOM 311 CB GLN A 20 -5.210 -10.060 13.437 1.00 0.00 C ATOM 312 CG GLN A 20 -4.559 -11.412 13.691 1.00 0.00 C ATOM 313 CD GLN A 20 -5.098 -12.500 12.778 1.00 0.00 C ATOM 314 OE1 GLN A 20 -6.093 -13.150 13.092 1.00 0.00 O ATOM 315 NE2 GLN A 20 -4.427 -12.732 11.660 1.00 0.00 N ATOM 0 H GLN A 20 -3.027 -9.021 12.858 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.098 -10.247 11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.872 -9.356 14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.289 -10.159 13.553 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.482 -11.325 13.550 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.722 -11.700 14.729 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.606 -12.172 11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.732 -13.471 11.026 1.00 0.00 H new ATOM 324 N ASP A 21 -5.300 -7.094 11.962 1.00 0.00 N ATOM 325 CA ASP A 21 -6.065 -5.874 11.724 1.00 0.00 C ATOM 326 C ASP A 21 -6.088 -5.530 10.237 1.00 0.00 C ATOM 327 O ASP A 21 -6.886 -4.703 9.789 1.00 0.00 O ATOM 328 CB ASP A 21 -5.474 -4.706 12.523 1.00 0.00 C ATOM 329 CG ASP A 21 -5.439 -4.974 14.014 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.471 -5.611 14.481 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.377 -4.554 14.727 1.00 0.00 O ATOM 0 H ASP A 21 -4.344 -6.936 12.282 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.089 -6.047 12.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.462 -4.505 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.062 -3.808 12.333 1.00 0.00 H new ATOM 336 N GLU A 22 -5.210 -6.170 9.474 1.00 0.00 N ATOM 337 CA GLU A 22 -5.133 -5.943 8.038 1.00 0.00 C ATOM 338 C GLU A 22 -6.121 -6.854 7.316 1.00 0.00 C ATOM 339 O GLU A 22 -6.794 -7.670 7.947 1.00 0.00 O ATOM 340 CB GLU A 22 -3.714 -6.212 7.528 1.00 0.00 C ATOM 341 CG GLU A 22 -2.636 -5.410 8.235 1.00 0.00 C ATOM 342 CD GLU A 22 -1.238 -5.785 7.776 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.950 -6.994 7.648 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.409 -4.878 7.577 1.00 0.00 O ATOM 0 H GLU A 22 -4.540 -6.852 9.828 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.386 -4.902 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.494 -7.274 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.675 -5.991 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.801 -4.348 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.717 -5.568 9.310 1.00 0.00 H new ATOM 351 N LEU A 23 -6.207 -6.721 6.004 1.00 0.00 N ATOM 352 CA LEU A 23 -7.109 -7.549 5.216 1.00 0.00 C ATOM 353 C LEU A 23 -6.412 -8.045 3.955 1.00 0.00 C ATOM 354 O LEU A 23 -6.046 -7.249 3.092 1.00 0.00 O ATOM 355 CB LEU A 23 -8.363 -6.753 4.844 1.00 0.00 C ATOM 356 CG LEU A 23 -9.456 -7.542 4.120 1.00 0.00 C ATOM 357 CD1 LEU A 23 -9.981 -8.665 5.001 1.00 0.00 C ATOM 358 CD2 LEU A 23 -10.586 -6.617 3.702 1.00 0.00 C ATOM 0 H LEU A 23 -5.665 -6.049 5.461 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.401 -8.412 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.787 -6.331 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.066 -5.915 4.213 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.024 -7.987 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.757 -9.213 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.165 -9.343 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.398 -8.245 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.356 -7.192 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.015 -6.144 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.199 -5.849 3.032 1.00 0.00 H new ATOM 370 N THR A 24 -6.213 -9.355 3.865 1.00 0.00 N ATOM 371 CA THR A 24 -5.590 -9.947 2.691 1.00 0.00 C ATOM 372 C THR A 24 -6.538 -9.881 1.499 1.00 0.00 C ATOM 373 O THR A 24 -7.496 -10.649 1.409 1.00 0.00 O ATOM 374 CB THR A 24 -5.185 -11.413 2.941 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.413 -11.510 4.145 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.370 -11.958 1.777 1.00 0.00 C ATOM 0 H THR A 24 -6.474 -10.024 4.589 1.00 0.00 H new ATOM 0 HA THR A 24 -4.688 -9.373 2.477 1.00 0.00 H new ATOM 0 HB THR A 24 -6.096 -12.003 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.161 -12.445 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.097 -12.994 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.963 -11.910 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.466 -11.361 1.655 1.00 0.00 H new ATOM 384 N ILE A 25 -6.273 -8.947 0.603 1.00 0.00 N ATOM 385 CA ILE A 25 -7.103 -8.759 -0.574 1.00 0.00 C ATOM 386 C ILE A 25 -6.293 -9.005 -1.836 1.00 0.00 C ATOM 387 O ILE A 25 -5.064 -8.899 -1.827 1.00 0.00 O ATOM 388 CB ILE A 25 -7.712 -7.340 -0.625 1.00 0.00 C ATOM 389 CG1 ILE A 25 -6.611 -6.275 -0.591 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.683 -7.141 0.526 1.00 0.00 C ATOM 391 CD1 ILE A 25 -7.135 -4.854 -0.594 1.00 0.00 C ATOM 0 H ILE A 25 -5.485 -8.303 0.669 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.919 -9.479 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.258 -7.234 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.000 -6.425 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.958 -6.413 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.104 -6.137 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.486 -7.875 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.157 -7.268 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.297 -4.157 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.721 -4.684 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.764 -4.696 0.282 1.00 0.00 H new ATOM 403 N LYS A 26 -6.976 -9.340 -2.917 1.00 0.00 N ATOM 404 CA LYS A 26 -6.306 -9.624 -4.172 1.00 0.00 C ATOM 405 C LYS A 26 -6.768 -8.656 -5.247 1.00 0.00 C ATOM 406 O LYS A 26 -7.869 -8.111 -5.166 1.00 0.00 O ATOM 407 CB LYS A 26 -6.572 -11.069 -4.600 1.00 0.00 C ATOM 408 CG LYS A 26 -6.139 -12.086 -3.561 1.00 0.00 C ATOM 409 CD LYS A 26 -6.376 -13.507 -4.030 1.00 0.00 C ATOM 410 CE LYS A 26 -6.034 -14.505 -2.940 1.00 0.00 C ATOM 411 NZ LYS A 26 -6.184 -15.903 -3.408 1.00 0.00 N ATOM 0 H LYS A 26 -7.992 -9.422 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.232 -9.497 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.636 -11.193 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.048 -11.267 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.081 -11.949 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.686 -11.913 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.419 -13.627 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.771 -13.707 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.010 -14.341 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.681 -14.339 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.942 -16.556 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.168 -16.067 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.548 -16.069 -4.214 1.00 0.00 H new ATOM 425 N SER A 27 -5.927 -8.439 -6.243 1.00 0.00 N ATOM 426 CA SER A 27 -6.242 -7.516 -7.318 1.00 0.00 C ATOM 427 C SER A 27 -7.513 -7.946 -8.050 1.00 0.00 C ATOM 428 O SER A 27 -7.571 -9.026 -8.643 1.00 0.00 O ATOM 429 CB SER A 27 -5.056 -7.415 -8.284 1.00 0.00 C ATOM 430 OG SER A 27 -4.503 -8.697 -8.562 1.00 0.00 O ATOM 0 H SER A 27 -5.017 -8.892 -6.329 1.00 0.00 H new ATOM 0 HA SER A 27 -6.426 -6.530 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.381 -6.948 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.288 -6.771 -7.854 1.00 0.00 H new ATOM 0 HG SER A 27 -3.580 -8.733 -8.235 1.00 0.00 H new ATOM 436 N GLY A 28 -8.537 -7.104 -7.982 1.00 0.00 N ATOM 437 CA GLY A 28 -9.800 -7.420 -8.616 1.00 0.00 C ATOM 438 C GLY A 28 -10.896 -7.715 -7.609 1.00 0.00 C ATOM 439 O GLY A 28 -12.034 -8.004 -7.986 1.00 0.00 O ATOM 0 H GLY A 28 -8.514 -6.207 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.105 -6.585 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.669 -8.282 -9.270 1.00 0.00 H new ATOM 443 N ASP A 29 -10.555 -7.652 -6.326 1.00 0.00 N ATOM 444 CA ASP A 29 -11.536 -7.862 -5.266 1.00 0.00 C ATOM 445 C ASP A 29 -12.488 -6.680 -5.168 1.00 0.00 C ATOM 446 O ASP A 29 -12.063 -5.521 -5.179 1.00 0.00 O ATOM 447 CB ASP A 29 -10.855 -8.076 -3.908 1.00 0.00 C ATOM 448 CG ASP A 29 -11.090 -9.464 -3.355 1.00 0.00 C ATOM 449 OD1 ASP A 29 -12.251 -9.783 -3.010 1.00 0.00 O ATOM 450 OD2 ASP A 29 -10.124 -10.250 -3.279 1.00 0.00 O ATOM 0 H ASP A 29 -9.610 -7.458 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.099 -8.760 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.783 -7.906 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.227 -7.338 -3.198 1.00 0.00 H new ATOM 455 N LYS A 30 -13.776 -6.975 -5.088 1.00 0.00 N ATOM 456 CA LYS A 30 -14.779 -5.941 -4.899 1.00 0.00 C ATOM 457 C LYS A 30 -14.934 -5.669 -3.408 1.00 0.00 C ATOM 458 O LYS A 30 -15.159 -6.595 -2.626 1.00 0.00 O ATOM 459 CB LYS A 30 -16.118 -6.375 -5.504 1.00 0.00 C ATOM 460 CG LYS A 30 -17.148 -5.257 -5.601 1.00 0.00 C ATOM 461 CD LYS A 30 -16.707 -4.167 -6.565 1.00 0.00 C ATOM 462 CE LYS A 30 -16.531 -4.706 -7.980 1.00 0.00 C ATOM 463 NZ LYS A 30 -17.815 -5.168 -8.568 1.00 0.00 N ATOM 0 H LYS A 30 -14.150 -7.922 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.461 -5.030 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.940 -6.778 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.531 -7.184 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.102 -5.669 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.310 -4.825 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.445 -3.365 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.768 -3.734 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.103 -3.929 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.821 -5.533 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.674 -5.399 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.144 -6.014 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.527 -4.415 -8.483 1.00 0.00 H new ATOM 477 N VAL A 31 -14.794 -4.414 -3.008 1.00 0.00 N ATOM 478 CA VAL A 31 -14.814 -4.072 -1.590 1.00 0.00 C ATOM 479 C VAL A 31 -15.713 -2.875 -1.299 1.00 0.00 C ATOM 480 O VAL A 31 -15.923 -2.007 -2.151 1.00 0.00 O ATOM 481 CB VAL A 31 -13.392 -3.767 -1.058 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.535 -5.020 -1.045 1.00 0.00 C ATOM 483 CG2 VAL A 31 -12.724 -2.683 -1.888 1.00 0.00 C ATOM 0 H VAL A 31 -14.666 -3.621 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.215 -4.947 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.492 -3.408 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.542 -4.778 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.995 -5.769 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.452 -5.414 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.727 -2.486 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.647 -3.013 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.319 -1.771 -1.841 1.00 0.00 H new ATOM 493 N TYR A 32 -16.255 -2.854 -0.094 1.00 0.00 N ATOM 494 CA TYR A 32 -16.980 -1.701 0.407 1.00 0.00 C ATOM 495 C TYR A 32 -16.080 -0.918 1.345 1.00 0.00 C ATOM 496 O TYR A 32 -15.397 -1.503 2.180 1.00 0.00 O ATOM 497 CB TYR A 32 -18.243 -2.122 1.161 1.00 0.00 C ATOM 498 CG TYR A 32 -19.276 -2.797 0.296 1.00 0.00 C ATOM 499 CD1 TYR A 32 -19.821 -2.143 -0.799 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.717 -4.081 0.583 1.00 0.00 C ATOM 501 CE1 TYR A 32 -20.773 -2.750 -1.588 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.670 -4.697 -0.203 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.196 -4.027 -1.286 1.00 0.00 C ATOM 504 OH TYR A 32 -22.146 -4.633 -2.074 1.00 0.00 O ATOM 0 H TYR A 32 -16.205 -3.633 0.562 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.277 -1.086 -0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -17.963 -2.798 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.689 -1.241 1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.494 -1.142 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -19.309 -4.606 1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.186 -2.228 -2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.001 -5.698 0.030 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.334 -5.530 -1.728 1.00 0.00 H new ATOM 514 N ILE A 33 -16.066 0.392 1.215 1.00 0.00 N ATOM 515 CA ILE A 33 -15.235 1.205 2.084 1.00 0.00 C ATOM 516 C ILE A 33 -16.057 1.690 3.268 1.00 0.00 C ATOM 517 O ILE A 33 -17.031 2.429 3.104 1.00 0.00 O ATOM 518 CB ILE A 33 -14.624 2.420 1.355 1.00 0.00 C ATOM 519 CG1 ILE A 33 -14.245 2.053 -0.085 1.00 0.00 C ATOM 520 CG2 ILE A 33 -13.403 2.923 2.117 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.753 3.231 -0.902 1.00 0.00 C ATOM 0 H ILE A 33 -16.611 0.912 0.528 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.410 0.577 2.421 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.368 3.215 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.470 1.287 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -15.112 1.615 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.977 3.781 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.699 3.220 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.659 2.129 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.503 2.897 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.534 3.989 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.867 3.656 -0.431 1.00 0.00 H new ATOM 533 N LEU A 34 -15.680 1.238 4.453 1.00 0.00 N ATOM 534 CA LEU A 34 -16.345 1.640 5.680 1.00 0.00 C ATOM 535 C LEU A 34 -15.936 3.060 6.039 1.00 0.00 C ATOM 536 O LEU A 34 -16.779 3.910 6.335 1.00 0.00 O ATOM 537 CB LEU A 34 -15.978 0.689 6.824 1.00 0.00 C ATOM 538 CG LEU A 34 -16.204 -0.797 6.540 1.00 0.00 C ATOM 539 CD1 LEU A 34 -15.809 -1.636 7.743 1.00 0.00 C ATOM 540 CD2 LEU A 34 -17.654 -1.059 6.172 1.00 0.00 C ATOM 0 H LEU A 34 -14.908 0.585 4.590 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.423 1.599 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.928 0.838 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.558 0.966 7.704 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.576 -1.080 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.977 -2.690 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.755 -1.476 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.412 -1.345 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.793 -2.122 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.299 -0.756 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.912 -0.487 5.281 1.00 0.00 H new ATOM 552 N ASP A 35 -14.632 3.309 6.001 1.00 0.00 N ATOM 553 CA ASP A 35 -14.101 4.627 6.292 1.00 0.00 C ATOM 554 C ASP A 35 -12.923 4.951 5.388 1.00 0.00 C ATOM 555 O ASP A 35 -11.944 4.201 5.327 1.00 0.00 O ATOM 556 CB ASP A 35 -13.675 4.733 7.755 1.00 0.00 C ATOM 557 CG ASP A 35 -13.059 6.081 8.069 1.00 0.00 C ATOM 558 OD1 ASP A 35 -13.729 7.114 7.840 1.00 0.00 O ATOM 559 OD2 ASP A 35 -11.902 6.115 8.525 1.00 0.00 O ATOM 0 H ASP A 35 -13.925 2.611 5.771 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.895 5.350 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.540 4.571 8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.958 3.944 7.982 1.00 0.00 H new ATOM 564 N ASP A 36 -13.057 6.053 4.660 1.00 0.00 N ATOM 565 CA ASP A 36 -11.984 6.597 3.836 1.00 0.00 C ATOM 566 C ASP A 36 -11.771 8.061 4.209 1.00 0.00 C ATOM 567 O ASP A 36 -11.071 8.806 3.520 1.00 0.00 O ATOM 568 CB ASP A 36 -12.327 6.472 2.342 1.00 0.00 C ATOM 569 CG ASP A 36 -13.497 7.343 1.910 1.00 0.00 C ATOM 570 OD1 ASP A 36 -14.663 6.961 2.160 1.00 0.00 O ATOM 571 OD2 ASP A 36 -13.260 8.401 1.285 1.00 0.00 O ATOM 0 H ASP A 36 -13.919 6.598 4.624 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.069 6.033 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.450 6.739 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.558 5.431 2.117 1.00 0.00 H new ATOM 576 N LYS A 37 -12.375 8.453 5.327 1.00 0.00 N ATOM 577 CA LYS A 37 -12.385 9.845 5.759 1.00 0.00 C ATOM 578 C LYS A 37 -11.508 10.035 6.992 1.00 0.00 C ATOM 579 O LYS A 37 -10.599 10.871 7.004 1.00 0.00 O ATOM 580 CB LYS A 37 -13.817 10.277 6.070 1.00 0.00 C ATOM 581 CG LYS A 37 -14.795 9.997 4.942 1.00 0.00 C ATOM 582 CD LYS A 37 -16.230 10.181 5.399 1.00 0.00 C ATOM 583 CE LYS A 37 -17.215 9.678 4.359 1.00 0.00 C ATOM 584 NZ LYS A 37 -18.611 9.698 4.866 1.00 0.00 N ATOM 0 H LYS A 37 -12.868 7.818 5.955 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.985 10.461 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.156 9.763 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.826 11.344 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.589 10.664 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.654 8.979 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.385 9.647 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.417 11.236 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.145 10.295 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.949 8.662 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.254 9.348 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.684 9.089 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.874 10.672 5.120 1.00 0.00 H new ATOM 598 N LYS A 38 -11.785 9.259 8.036 1.00 0.00 N ATOM 599 CA LYS A 38 -11.015 9.344 9.270 1.00 0.00 C ATOM 600 C LYS A 38 -9.656 8.702 9.067 1.00 0.00 C ATOM 601 O LYS A 38 -8.621 9.275 9.402 1.00 0.00 O ATOM 602 CB LYS A 38 -11.752 8.645 10.412 1.00 0.00 C ATOM 603 CG LYS A 38 -13.137 9.206 10.683 1.00 0.00 C ATOM 604 CD LYS A 38 -13.870 8.383 11.730 1.00 0.00 C ATOM 605 CE LYS A 38 -15.255 8.943 12.014 1.00 0.00 C ATOM 606 NZ LYS A 38 -15.202 10.271 12.685 1.00 0.00 N ATOM 0 H LYS A 38 -12.534 8.567 8.051 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.887 10.394 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.839 7.584 10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.154 8.724 11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.054 10.239 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.714 9.219 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.957 7.352 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.288 8.365 12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.807 9.033 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.806 8.243 12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.160 10.550 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.586 10.213 13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.823 10.979 12.024 1.00 0.00 H new ATOM 620 N SER A 39 -9.674 7.510 8.505 1.00 0.00 N ATOM 621 CA SER A 39 -8.465 6.804 8.164 1.00 0.00 C ATOM 622 C SER A 39 -8.130 7.077 6.702 1.00 0.00 C ATOM 623 O SER A 39 -8.755 6.530 5.796 1.00 0.00 O ATOM 624 CB SER A 39 -8.665 5.312 8.413 1.00 0.00 C ATOM 625 OG SER A 39 -9.344 5.088 9.640 1.00 0.00 O ATOM 0 H SER A 39 -10.531 7.007 8.273 1.00 0.00 H new ATOM 0 HA SER A 39 -7.635 7.146 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.235 4.876 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.698 4.810 8.431 1.00 0.00 H new ATOM 0 HG SER A 39 -10.294 5.302 9.532 1.00 0.00 H new ATOM 631 N LYS A 40 -7.166 7.955 6.478 1.00 0.00 N ATOM 632 CA LYS A 40 -6.849 8.414 5.137 1.00 0.00 C ATOM 633 C LYS A 40 -5.652 7.662 4.574 1.00 0.00 C ATOM 634 O LYS A 40 -5.494 7.544 3.359 1.00 0.00 O ATOM 635 CB LYS A 40 -6.565 9.915 5.162 1.00 0.00 C ATOM 636 CG LYS A 40 -6.361 10.527 3.787 1.00 0.00 C ATOM 637 CD LYS A 40 -6.207 12.039 3.862 1.00 0.00 C ATOM 638 CE LYS A 40 -7.390 12.690 4.564 1.00 0.00 C ATOM 639 NZ LYS A 40 -8.685 12.214 4.020 1.00 0.00 N ATOM 0 H LYS A 40 -6.588 8.365 7.211 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.705 8.219 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.393 10.423 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.675 10.096 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.475 10.093 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.209 10.279 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.288 12.285 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.112 12.446 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.343 12.474 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.326 13.773 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.397 12.967 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.570 11.965 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.998 11.376 4.551 1.00 0.00 H new ATOM 653 N ASP A 41 -4.814 7.165 5.466 1.00 0.00 N ATOM 654 CA ASP A 41 -3.629 6.417 5.070 1.00 0.00 C ATOM 655 C ASP A 41 -3.990 4.954 4.839 1.00 0.00 C ATOM 656 O ASP A 41 -3.534 4.325 3.879 1.00 0.00 O ATOM 657 CB ASP A 41 -2.544 6.538 6.145 1.00 0.00 C ATOM 658 CG ASP A 41 -2.084 7.971 6.364 1.00 0.00 C ATOM 659 OD1 ASP A 41 -2.799 8.736 7.051 1.00 0.00 O ATOM 660 OD2 ASP A 41 -1.003 8.337 5.862 1.00 0.00 O ATOM 0 H ASP A 41 -4.931 7.265 6.474 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.242 6.832 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.924 6.136 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.688 5.927 5.860 1.00 0.00 H new ATOM 665 N TRP A 42 -4.826 4.426 5.719 1.00 0.00 N ATOM 666 CA TRP A 42 -5.308 3.058 5.608 1.00 0.00 C ATOM 667 C TRP A 42 -6.826 3.062 5.606 1.00 0.00 C ATOM 668 O TRP A 42 -7.441 3.545 6.546 1.00 0.00 O ATOM 669 CB TRP A 42 -4.800 2.197 6.770 1.00 0.00 C ATOM 670 CG TRP A 42 -3.357 1.804 6.667 1.00 0.00 C ATOM 671 CD1 TRP A 42 -2.269 2.623 6.764 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.845 0.482 6.457 1.00 0.00 C ATOM 673 NE1 TRP A 42 -1.119 1.891 6.629 1.00 0.00 N ATOM 674 CE2 TRP A 42 -1.443 0.576 6.437 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.435 -0.774 6.287 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.622 -0.532 6.255 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.620 -1.873 6.100 1.00 0.00 C ATOM 678 CH2 TRP A 42 -1.226 -1.747 6.087 1.00 0.00 C ATOM 0 H TRP A 42 -5.189 4.931 6.527 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.931 2.632 4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.950 2.742 7.702 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.407 1.293 6.828 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.309 3.690 6.924 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.171 2.267 6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.509 -0.883 6.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.454 -0.436 6.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.066 -2.847 5.961 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.616 -2.626 5.941 1.00 0.00 H new ATOM 689 N TRP A 43 -7.425 2.518 4.568 1.00 0.00 N ATOM 690 CA TRP A 43 -8.871 2.553 4.432 1.00 0.00 C ATOM 691 C TRP A 43 -9.489 1.272 4.962 1.00 0.00 C ATOM 692 O TRP A 43 -8.930 0.185 4.799 1.00 0.00 O ATOM 693 CB TRP A 43 -9.264 2.759 2.969 1.00 0.00 C ATOM 694 CG TRP A 43 -8.983 4.141 2.460 1.00 0.00 C ATOM 695 CD1 TRP A 43 -8.291 5.129 3.099 1.00 0.00 C ATOM 696 CD2 TRP A 43 -9.397 4.692 1.205 1.00 0.00 C ATOM 697 NE1 TRP A 43 -8.250 6.259 2.321 1.00 0.00 N ATOM 698 CE2 TRP A 43 -8.923 6.016 1.153 1.00 0.00 C ATOM 699 CE3 TRP A 43 -10.125 4.194 0.118 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -9.149 6.847 0.061 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -10.349 5.022 -0.966 1.00 0.00 C ATOM 702 CH2 TRP A 43 -9.863 6.333 -0.986 1.00 0.00 C ATOM 0 H TRP A 43 -6.937 2.047 3.806 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.249 3.390 5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.727 2.038 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.327 2.548 2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.841 5.035 4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.793 7.136 2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.504 3.183 0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.775 7.860 0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.909 4.650 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.056 6.954 -1.848 1.00 0.00 H new ATOM 713 N MET A 44 -10.640 1.403 5.605 1.00 0.00 N ATOM 714 CA MET A 44 -11.333 0.249 6.156 1.00 0.00 C ATOM 715 C MET A 44 -12.206 -0.369 5.080 1.00 0.00 C ATOM 716 O MET A 44 -13.265 0.160 4.761 1.00 0.00 O ATOM 717 CB MET A 44 -12.204 0.648 7.352 1.00 0.00 C ATOM 718 CG MET A 44 -11.512 1.571 8.339 1.00 0.00 C ATOM 719 SD MET A 44 -12.462 1.813 9.855 1.00 0.00 S ATOM 720 CE MET A 44 -12.541 0.134 10.478 1.00 0.00 C ATOM 0 H MET A 44 -11.112 2.294 5.757 1.00 0.00 H new ATOM 0 HA MET A 44 -10.590 -0.471 6.499 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.106 1.137 6.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.521 -0.254 7.875 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.534 1.160 8.590 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.339 2.538 7.866 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.715 0.153 11.554 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.356 -0.398 9.988 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.600 -0.375 10.272 1.00 0.00 H new ATOM 730 N CYS A 45 -11.761 -1.467 4.506 1.00 0.00 N ATOM 731 CA CYS A 45 -12.497 -2.087 3.420 1.00 0.00 C ATOM 732 C CYS A 45 -13.131 -3.397 3.862 1.00 0.00 C ATOM 733 O CYS A 45 -12.577 -4.126 4.683 1.00 0.00 O ATOM 734 CB CYS A 45 -11.584 -2.305 2.216 1.00 0.00 C ATOM 735 SG CYS A 45 -10.948 -0.771 1.504 1.00 0.00 S ATOM 0 H CYS A 45 -10.900 -1.947 4.769 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.302 -1.413 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.744 -2.932 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.132 -2.852 1.449 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.144 -0.775 0.219 1.00 0.00 H new ATOM 741 N GLN A 46 -14.312 -3.662 3.331 1.00 0.00 N ATOM 742 CA GLN A 46 -15.048 -4.875 3.624 1.00 0.00 C ATOM 743 C GLN A 46 -15.290 -5.656 2.337 1.00 0.00 C ATOM 744 O GLN A 46 -15.804 -5.112 1.360 1.00 0.00 O ATOM 745 CB GLN A 46 -16.377 -4.518 4.297 1.00 0.00 C ATOM 746 CG GLN A 46 -17.218 -5.720 4.685 1.00 0.00 C ATOM 747 CD GLN A 46 -18.468 -5.330 5.454 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.024 -4.247 5.263 1.00 0.00 O ATOM 749 NE2 GLN A 46 -18.921 -6.211 6.331 1.00 0.00 N ATOM 0 H GLN A 46 -14.788 -3.037 2.681 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.468 -5.500 4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.172 -3.928 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -16.955 -3.886 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.504 -6.265 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.618 -6.398 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -18.434 -7.097 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -19.758 -6.004 6.876 1.00 0.00 H new ATOM 758 N LEU A 47 -14.904 -6.923 2.335 1.00 0.00 N ATOM 759 CA LEU A 47 -15.027 -7.764 1.150 1.00 0.00 C ATOM 760 C LEU A 47 -16.487 -8.046 0.827 1.00 0.00 C ATOM 761 O LEU A 47 -17.283 -8.337 1.716 1.00 0.00 O ATOM 762 CB LEU A 47 -14.283 -9.088 1.353 1.00 0.00 C ATOM 763 CG LEU A 47 -12.769 -8.976 1.494 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.159 -10.339 1.778 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.155 -8.369 0.241 1.00 0.00 C ATOM 0 H LEU A 47 -14.501 -7.395 3.144 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.582 -7.225 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.678 -9.574 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.504 -9.742 0.510 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.552 -8.317 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.078 -10.241 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.572 -10.737 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.389 -11.019 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.074 -8.298 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.383 -9.000 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.568 -7.373 0.079 1.00 0.00 H new ATOM 777 N VAL A 48 -16.831 -7.954 -0.448 1.00 0.00 N ATOM 778 CA VAL A 48 -18.166 -8.312 -0.908 1.00 0.00 C ATOM 779 C VAL A 48 -18.297 -9.833 -0.955 1.00 0.00 C ATOM 780 O VAL A 48 -19.395 -10.387 -0.871 1.00 0.00 O ATOM 781 CB VAL A 48 -18.461 -7.707 -2.302 1.00 0.00 C ATOM 782 CG1 VAL A 48 -19.847 -8.089 -2.797 1.00 0.00 C ATOM 783 CG2 VAL A 48 -18.320 -6.194 -2.259 1.00 0.00 C ATOM 0 H VAL A 48 -16.203 -7.634 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 48 -18.894 -7.903 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.732 -8.117 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.018 -7.646 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.921 -9.174 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -20.597 -7.721 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.530 -5.781 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.025 -5.783 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.304 -5.931 -1.965 1.00 0.00 H new ATOM 793 N ASP A 49 -17.156 -10.496 -1.076 1.00 0.00 N ATOM 794 CA ASP A 49 -17.097 -11.950 -1.118 1.00 0.00 C ATOM 795 C ASP A 49 -17.604 -12.572 0.182 1.00 0.00 C ATOM 796 O ASP A 49 -18.689 -13.152 0.221 1.00 0.00 O ATOM 797 CB ASP A 49 -15.659 -12.396 -1.385 1.00 0.00 C ATOM 798 CG ASP A 49 -15.504 -13.901 -1.414 1.00 0.00 C ATOM 799 OD1 ASP A 49 -15.730 -14.506 -2.485 1.00 0.00 O ATOM 800 OD2 ASP A 49 -15.141 -14.485 -0.374 1.00 0.00 O ATOM 0 H ASP A 49 -16.246 -10.042 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.746 -12.293 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.327 -11.983 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.007 -11.984 -0.615 1.00 0.00 H new ATOM 805 N SER A 50 -16.821 -12.440 1.243 1.00 0.00 N ATOM 806 CA SER A 50 -17.147 -13.060 2.520 1.00 0.00 C ATOM 807 C SER A 50 -17.821 -12.076 3.475 1.00 0.00 C ATOM 808 O SER A 50 -18.580 -12.475 4.358 1.00 0.00 O ATOM 809 CB SER A 50 -15.871 -13.611 3.152 1.00 0.00 C ATOM 810 OG SER A 50 -14.839 -12.634 3.124 1.00 0.00 O ATOM 0 H SER A 50 -15.952 -11.907 1.245 1.00 0.00 H new ATOM 0 HA SER A 50 -17.853 -13.869 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.068 -13.911 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.549 -14.504 2.616 1.00 0.00 H new ATOM 0 HG SER A 50 -14.029 -13.002 3.534 1.00 0.00 H new ATOM 816 N GLY A 51 -17.543 -10.793 3.296 1.00 0.00 N ATOM 817 CA GLY A 51 -18.082 -9.788 4.193 1.00 0.00 C ATOM 818 C GLY A 51 -17.100 -9.410 5.285 1.00 0.00 C ATOM 819 O GLY A 51 -17.432 -8.655 6.200 1.00 0.00 O ATOM 0 H GLY A 51 -16.954 -10.429 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.348 -8.899 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.000 -10.162 4.646 1.00 0.00 H new ATOM 823 N LYS A 52 -15.887 -9.938 5.192 1.00 0.00 N ATOM 824 CA LYS A 52 -14.851 -9.640 6.173 1.00 0.00 C ATOM 825 C LYS A 52 -14.238 -8.273 5.897 1.00 0.00 C ATOM 826 O LYS A 52 -14.083 -7.876 4.744 1.00 0.00 O ATOM 827 CB LYS A 52 -13.769 -10.720 6.152 1.00 0.00 C ATOM 828 CG LYS A 52 -14.296 -12.108 6.468 1.00 0.00 C ATOM 829 CD LYS A 52 -13.182 -13.140 6.486 1.00 0.00 C ATOM 830 CE LYS A 52 -13.724 -14.528 6.775 1.00 0.00 C ATOM 831 NZ LYS A 52 -12.641 -15.542 6.859 1.00 0.00 N ATOM 0 H LYS A 52 -15.596 -10.574 4.449 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.307 -9.625 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.298 -10.733 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.994 -10.461 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.797 -12.096 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.043 -12.391 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.668 -13.140 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.445 -12.870 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.279 -14.512 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.427 -14.813 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.054 -16.476 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.127 -15.576 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.983 -15.285 7.623 1.00 0.00 H new ATOM 845 N SER A 53 -13.899 -7.558 6.956 1.00 0.00 N ATOM 846 CA SER A 53 -13.368 -6.212 6.829 1.00 0.00 C ATOM 847 C SER A 53 -11.972 -6.119 7.432 1.00 0.00 C ATOM 848 O SER A 53 -11.607 -6.926 8.289 1.00 0.00 O ATOM 849 CB SER A 53 -14.310 -5.226 7.518 1.00 0.00 C ATOM 850 OG SER A 53 -14.619 -5.656 8.837 1.00 0.00 O ATOM 0 H SER A 53 -13.983 -7.889 7.917 1.00 0.00 H new ATOM 0 HA SER A 53 -13.293 -5.962 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.848 -4.239 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.228 -5.129 6.939 1.00 0.00 H new ATOM 0 HG SER A 53 -15.222 -5.009 9.259 1.00 0.00 H new ATOM 856 N GLY A 54 -11.196 -5.147 6.971 1.00 0.00 N ATOM 857 CA GLY A 54 -9.873 -4.927 7.517 1.00 0.00 C ATOM 858 C GLY A 54 -9.246 -3.659 6.974 1.00 0.00 C ATOM 859 O GLY A 54 -9.837 -2.984 6.126 1.00 0.00 O ATOM 0 H GLY A 54 -11.462 -4.504 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.933 -4.867 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.235 -5.779 7.280 1.00 0.00 H new ATOM 863 N LEU A 55 -8.057 -3.327 7.458 1.00 0.00 N ATOM 864 CA LEU A 55 -7.359 -2.128 7.014 1.00 0.00 C ATOM 865 C LEU A 55 -6.460 -2.437 5.824 1.00 0.00 C ATOM 866 O LEU A 55 -5.713 -3.417 5.838 1.00 0.00 O ATOM 867 CB LEU A 55 -6.527 -1.526 8.152 1.00 0.00 C ATOM 868 CG LEU A 55 -7.300 -0.689 9.184 1.00 0.00 C ATOM 869 CD1 LEU A 55 -8.033 0.453 8.500 1.00 0.00 C ATOM 870 CD2 LEU A 55 -8.271 -1.549 9.984 1.00 0.00 C ATOM 0 H LEU A 55 -7.555 -3.872 8.159 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.111 -1.400 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.024 -2.338 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.750 -0.899 7.715 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.577 -0.270 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.575 1.035 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.313 1.094 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.737 0.049 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.801 -0.926 10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.989 -2.012 9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.718 -2.325 10.513 1.00 0.00 H new ATOM 882 N VAL A 56 -6.557 -1.608 4.791 1.00 0.00 N ATOM 883 CA VAL A 56 -5.725 -1.750 3.603 1.00 0.00 C ATOM 884 C VAL A 56 -5.210 -0.381 3.147 1.00 0.00 C ATOM 885 O VAL A 56 -5.805 0.647 3.468 1.00 0.00 O ATOM 886 CB VAL A 56 -6.493 -2.419 2.437 1.00 0.00 C ATOM 887 CG1 VAL A 56 -6.955 -3.816 2.824 1.00 0.00 C ATOM 888 CG2 VAL A 56 -7.674 -1.565 2.001 1.00 0.00 C ATOM 0 H VAL A 56 -7.209 -0.825 4.753 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.886 -2.391 3.873 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.809 -2.507 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.492 -4.266 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.089 -4.430 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.615 -3.754 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.196 -2.058 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.358 -1.434 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.316 -0.590 1.669 1.00 0.00 H new ATOM 898 N PRO A 57 -4.085 -0.352 2.412 1.00 0.00 N ATOM 899 CA PRO A 57 -3.505 0.891 1.888 1.00 0.00 C ATOM 900 C PRO A 57 -4.489 1.687 1.022 1.00 0.00 C ATOM 901 O PRO A 57 -5.145 1.135 0.136 1.00 0.00 O ATOM 902 CB PRO A 57 -2.310 0.415 1.051 1.00 0.00 C ATOM 903 CG PRO A 57 -2.511 -1.051 0.862 1.00 0.00 C ATOM 904 CD PRO A 57 -3.281 -1.526 2.054 1.00 0.00 C ATOM 0 HA PRO A 57 -3.229 1.572 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.272 0.932 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.368 0.619 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.057 -1.253 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.554 -1.568 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.906 -2.386 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.621 -1.828 2.868 1.00 0.00 H new ATOM 912 N ALA A 58 -4.562 2.989 1.284 1.00 0.00 N ATOM 913 CA ALA A 58 -5.536 3.878 0.647 1.00 0.00 C ATOM 914 C ALA A 58 -5.491 3.842 -0.881 1.00 0.00 C ATOM 915 O ALA A 58 -6.512 3.619 -1.532 1.00 0.00 O ATOM 916 CB ALA A 58 -5.307 5.300 1.124 1.00 0.00 C ATOM 0 H ALA A 58 -3.946 3.461 1.946 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.523 3.520 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.031 5.963 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.427 5.344 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.298 5.615 0.858 1.00 0.00 H new ATOM 922 N GLN A 59 -4.304 4.048 -1.446 1.00 0.00 N ATOM 923 CA GLN A 59 -4.149 4.221 -2.897 1.00 0.00 C ATOM 924 C GLN A 59 -4.335 2.919 -3.675 1.00 0.00 C ATOM 925 O GLN A 59 -4.037 2.854 -4.869 1.00 0.00 O ATOM 926 CB GLN A 59 -2.779 4.820 -3.222 1.00 0.00 C ATOM 927 CG GLN A 59 -1.612 4.101 -2.568 1.00 0.00 C ATOM 928 CD GLN A 59 -0.274 4.541 -3.129 1.00 0.00 C ATOM 929 OE1 GLN A 59 0.252 3.932 -4.058 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.272 5.616 -2.589 1.00 0.00 N ATOM 0 H GLN A 59 -3.430 4.100 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.938 4.904 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.638 4.809 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.769 5.864 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.631 4.286 -1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.726 3.026 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.196 6.094 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.162 5.968 -2.942 1.00 0.00 H new ATOM 939 N PHE A 60 -4.839 1.894 -3.011 1.00 0.00 N ATOM 940 CA PHE A 60 -5.094 0.620 -3.660 1.00 0.00 C ATOM 941 C PHE A 60 -6.548 0.521 -4.098 1.00 0.00 C ATOM 942 O PHE A 60 -6.901 -0.337 -4.904 1.00 0.00 O ATOM 943 CB PHE A 60 -4.752 -0.545 -2.724 1.00 0.00 C ATOM 944 CG PHE A 60 -3.281 -0.840 -2.619 1.00 0.00 C ATOM 945 CD1 PHE A 60 -2.346 0.183 -2.582 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.835 -2.150 -2.560 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.998 -0.095 -2.484 1.00 0.00 C ATOM 948 CE2 PHE A 60 -1.488 -2.435 -2.462 1.00 0.00 C ATOM 949 CZ PHE A 60 -0.568 -1.406 -2.425 1.00 0.00 C ATOM 0 H PHE A 60 -5.080 1.919 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.456 0.560 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.138 -0.323 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.267 -1.440 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.677 1.210 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.550 -2.959 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.280 0.711 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.154 -3.461 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.487 -1.626 -2.350 1.00 0.00 H new ATOM 959 N ILE A 61 -7.383 1.409 -3.576 1.00 0.00 N ATOM 960 CA ILE A 61 -8.816 1.338 -3.820 1.00 0.00 C ATOM 961 C ILE A 61 -9.265 2.353 -4.872 1.00 0.00 C ATOM 962 O ILE A 61 -8.994 3.549 -4.759 1.00 0.00 O ATOM 963 CB ILE A 61 -9.611 1.571 -2.515 1.00 0.00 C ATOM 964 CG1 ILE A 61 -9.185 0.565 -1.440 1.00 0.00 C ATOM 965 CG2 ILE A 61 -11.109 1.483 -2.771 1.00 0.00 C ATOM 966 CD1 ILE A 61 -9.358 -0.886 -1.847 1.00 0.00 C ATOM 0 H ILE A 61 -7.093 2.186 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.021 0.336 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.388 2.575 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.139 0.739 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.764 0.749 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.648 1.650 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.399 2.241 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.354 0.495 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.034 -1.534 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.408 -1.079 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.757 -1.090 -2.733 1.00 0.00 H new ATOM 978 N GLU A 62 -9.946 1.857 -5.897 1.00 0.00 N ATOM 979 CA GLU A 62 -10.529 2.707 -6.925 1.00 0.00 C ATOM 980 C GLU A 62 -12.056 2.641 -6.838 1.00 0.00 C ATOM 981 O GLU A 62 -12.649 1.606 -7.143 1.00 0.00 O ATOM 982 CB GLU A 62 -10.055 2.251 -8.310 1.00 0.00 C ATOM 983 CG GLU A 62 -10.617 3.068 -9.466 1.00 0.00 C ATOM 984 CD GLU A 62 -10.066 4.479 -9.523 1.00 0.00 C ATOM 985 OE1 GLU A 62 -10.550 5.344 -8.765 1.00 0.00 O ATOM 986 OE2 GLU A 62 -9.155 4.736 -10.342 1.00 0.00 O ATOM 0 H GLU A 62 -10.109 0.860 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.208 3.737 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.967 2.299 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.333 1.206 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.394 2.560 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.703 3.112 -9.377 1.00 0.00 H new ATOM 993 N PRO A 63 -12.706 3.728 -6.384 1.00 0.00 N ATOM 994 CA PRO A 63 -14.171 3.789 -6.257 1.00 0.00 C ATOM 995 C PRO A 63 -14.883 3.584 -7.592 1.00 0.00 C ATOM 996 O PRO A 63 -14.483 4.147 -8.613 1.00 0.00 O ATOM 997 CB PRO A 63 -14.435 5.202 -5.726 1.00 0.00 C ATOM 998 CG PRO A 63 -13.141 5.640 -5.130 1.00 0.00 C ATOM 999 CD PRO A 63 -12.068 4.980 -5.948 1.00 0.00 C ATOM 0 HA PRO A 63 -14.548 2.999 -5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.747 5.872 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.232 5.201 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.044 6.725 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.073 5.343 -4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.770 5.597 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.170 4.792 -5.359 1.00 0.00 H new ATOM 1007 N VAL A 64 -15.946 2.785 -7.574 1.00 0.00 N ATOM 1008 CA VAL A 64 -16.676 2.462 -8.796 1.00 0.00 C ATOM 1009 C VAL A 64 -17.756 3.492 -9.082 1.00 0.00 C ATOM 1010 O VAL A 64 -18.104 3.746 -10.236 1.00 0.00 O ATOM 1011 CB VAL A 64 -17.313 1.055 -8.733 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -16.240 -0.005 -8.570 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -18.333 0.962 -7.607 1.00 0.00 C ATOM 0 H VAL A 64 -16.320 2.351 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.946 2.475 -9.605 1.00 0.00 H new ATOM 0 HB VAL A 64 -17.837 0.880 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -16.705 -0.990 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.556 0.037 -9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.687 0.176 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -18.764 -0.039 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -17.843 1.164 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -19.124 1.694 -7.771 1.00 0.00 H new ATOM 1152 N MET B 1 20.993 0.171 -8.724 1.00 0.00 N ATOM 1153 CA MET B 1 20.001 0.543 -9.758 1.00 0.00 C ATOM 1154 C MET B 1 19.016 1.552 -9.228 1.00 0.00 C ATOM 1155 O MET B 1 18.999 1.878 -8.047 1.00 0.00 O ATOM 1156 CB MET B 1 19.222 -0.666 -10.275 1.00 0.00 C ATOM 1157 CG MET B 1 18.683 -1.572 -9.187 1.00 0.00 C ATOM 1158 SD MET B 1 17.794 -2.997 -9.842 1.00 0.00 S ATOM 1159 CE MET B 1 17.269 -3.796 -8.327 1.00 0.00 C ATOM 0 H1 MET B 1 21.617 -0.574 -9.094 1.00 0.00 H new ATOM 0 H2 MET B 1 21.561 1.005 -8.472 1.00 0.00 H new ATOM 0 H3 MET B 1 20.499 -0.179 -7.879 1.00 0.00 H new ATOM 0 HA MET B 1 20.571 0.974 -10.581 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.389 -0.314 -10.884 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.871 -1.249 -10.929 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.509 -1.919 -8.567 1.00 0.00 H new ATOM 0 HG3 MET B 1 18.017 -1.000 -8.541 1.00 0.00 H new ATOM 0 HE1 MET B 1 17.420 -4.872 -8.412 1.00 0.00 H new ATOM 0 HE2 MET B 1 17.854 -3.412 -7.491 1.00 0.00 H new ATOM 0 HE3 MET B 1 16.212 -3.591 -8.155 1.00 0.00 H new ATOM 1171 N GLN B 2 18.169 2.010 -10.114 1.00 0.00 N ATOM 1172 CA GLN B 2 17.189 3.021 -9.767 1.00 0.00 C ATOM 1173 C GLN B 2 15.804 2.415 -9.640 1.00 0.00 C ATOM 1174 O GLN B 2 15.358 1.659 -10.508 1.00 0.00 O ATOM 1175 CB GLN B 2 17.190 4.143 -10.802 1.00 0.00 C ATOM 1176 CG GLN B 2 18.461 4.975 -10.775 1.00 0.00 C ATOM 1177 CD GLN B 2 18.501 6.043 -11.848 1.00 0.00 C ATOM 1178 OE1 GLN B 2 17.340 6.532 -12.250 1.00 0.00 O flip ATOM 1179 NE2 GLN B 2 19.572 6.418 -12.320 1.00 0.00 N flip ATOM 0 H GLN B 2 18.134 1.701 -11.085 1.00 0.00 H new ATOM 0 HA GLN B 2 17.464 3.441 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN B 2 17.065 3.713 -11.796 1.00 0.00 H new ATOM 0 HB3 GLN B 2 16.333 4.793 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN B 2 18.557 5.448 -9.798 1.00 0.00 H new ATOM 0 HG3 GLN B 2 19.321 4.316 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN B 2 20.447 6.016 -11.983 1.00 0.00 H new ATOM 0 HE22 GLN B 2 19.586 7.131 -13.049 1.00 0.00 H new ATOM 1188 N ILE B 3 15.147 2.726 -8.532 1.00 0.00 N ATOM 1189 CA ILE B 3 13.767 2.330 -8.310 1.00 0.00 C ATOM 1190 C ILE B 3 12.939 3.553 -7.944 1.00 0.00 C ATOM 1191 O ILE B 3 13.459 4.520 -7.384 1.00 0.00 O ATOM 1192 CB ILE B 3 13.627 1.269 -7.195 1.00 0.00 C ATOM 1193 CG1 ILE B 3 14.268 1.760 -5.891 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.246 -0.049 -7.639 1.00 0.00 C ATOM 1195 CD1 ILE B 3 14.043 0.832 -4.715 1.00 0.00 C ATOM 0 H ILE B 3 15.556 3.259 -7.764 1.00 0.00 H new ATOM 0 HA ILE B 3 13.406 1.884 -9.237 1.00 0.00 H new ATOM 0 HB ILE B 3 12.566 1.106 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE B 3 15.340 1.882 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.868 2.744 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE B 3 14.140 -0.787 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE B 3 13.738 -0.406 -8.535 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.304 0.101 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.525 1.245 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE B 3 12.973 0.729 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.469 -0.147 -4.937 1.00 0.00 H new ATOM 1207 N PHE B 4 11.660 3.511 -8.268 1.00 0.00 N ATOM 1208 CA PHE B 4 10.774 4.630 -8.006 1.00 0.00 C ATOM 1209 C PHE B 4 9.933 4.359 -6.768 1.00 0.00 C ATOM 1210 O PHE B 4 9.005 3.554 -6.800 1.00 0.00 O ATOM 1211 CB PHE B 4 9.870 4.888 -9.216 1.00 0.00 C ATOM 1212 CG PHE B 4 10.626 5.276 -10.456 1.00 0.00 C ATOM 1213 CD1 PHE B 4 11.074 6.577 -10.631 1.00 0.00 C ATOM 1214 CD2 PHE B 4 10.896 4.338 -11.441 1.00 0.00 C ATOM 1215 CE1 PHE B 4 11.774 6.935 -11.767 1.00 0.00 C ATOM 1216 CE2 PHE B 4 11.599 4.691 -12.578 1.00 0.00 C ATOM 1217 CZ PHE B 4 12.038 5.990 -12.741 1.00 0.00 C ATOM 0 H PHE B 4 11.210 2.712 -8.714 1.00 0.00 H new ATOM 0 HA PHE B 4 11.380 5.519 -7.828 1.00 0.00 H new ATOM 0 HB2 PHE B 4 9.286 3.991 -9.422 1.00 0.00 H new ATOM 0 HB3 PHE B 4 9.162 5.679 -8.969 1.00 0.00 H new ATOM 0 HD1 PHE B 4 10.874 7.318 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE B 4 10.554 3.321 -11.319 1.00 0.00 H new ATOM 0 HE1 PHE B 4 12.115 7.952 -11.894 1.00 0.00 H new ATOM 0 HE2 PHE B 4 11.805 3.952 -13.338 1.00 0.00 H new ATOM 0 HZ PHE B 4 12.587 6.268 -13.629 1.00 0.00 H new ATOM 1227 N VAL B 5 10.272 5.021 -5.673 1.00 0.00 N ATOM 1228 CA VAL B 5 9.541 4.857 -4.430 1.00 0.00 C ATOM 1229 C VAL B 5 8.370 5.829 -4.378 1.00 0.00 C ATOM 1230 O VAL B 5 8.534 7.008 -4.062 1.00 0.00 O ATOM 1231 CB VAL B 5 10.445 5.067 -3.197 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.658 4.862 -1.910 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.642 4.131 -3.250 1.00 0.00 C ATOM 0 H VAL B 5 11.051 5.678 -5.622 1.00 0.00 H new ATOM 0 HA VAL B 5 9.171 3.832 -4.403 1.00 0.00 H new ATOM 0 HB VAL B 5 10.810 6.094 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.315 5.015 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.836 5.576 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.259 3.848 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.269 4.292 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.296 3.098 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.221 4.331 -4.152 1.00 0.00 H new ATOM 1243 N LYS B 6 7.199 5.329 -4.719 1.00 0.00 N ATOM 1244 CA LYS B 6 5.990 6.131 -4.735 1.00 0.00 C ATOM 1245 C LYS B 6 5.336 6.109 -3.359 1.00 0.00 C ATOM 1246 O LYS B 6 4.859 5.067 -2.905 1.00 0.00 O ATOM 1247 CB LYS B 6 5.035 5.590 -5.804 1.00 0.00 C ATOM 1248 CG LYS B 6 3.695 6.299 -5.858 1.00 0.00 C ATOM 1249 CD LYS B 6 2.826 5.750 -6.977 1.00 0.00 C ATOM 1250 CE LYS B 6 3.381 6.102 -8.352 1.00 0.00 C ATOM 1251 NZ LYS B 6 3.419 7.573 -8.580 1.00 0.00 N ATOM 0 H LYS B 6 7.058 4.357 -4.993 1.00 0.00 H new ATOM 0 HA LYS B 6 6.236 7.165 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS B 6 5.516 5.671 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS B 6 4.865 4.529 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.180 6.182 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS B 6 3.852 7.367 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.753 4.667 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.816 6.148 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS B 6 4.387 5.694 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.768 5.632 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.590 7.764 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.510 7.992 -8.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 4.184 7.992 -8.014 1.00 0.00 H new ATOM 1265 N THR B 7 5.333 7.253 -2.693 1.00 0.00 N ATOM 1266 CA THR B 7 4.795 7.349 -1.345 1.00 0.00 C ATOM 1267 C THR B 7 3.273 7.231 -1.339 1.00 0.00 C ATOM 1268 O THR B 7 2.633 7.210 -2.393 1.00 0.00 O ATOM 1269 CB THR B 7 5.204 8.669 -0.667 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.801 9.778 -1.475 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.708 8.718 -0.437 1.00 0.00 C ATOM 0 H THR B 7 5.698 8.130 -3.065 1.00 0.00 H new ATOM 0 HA THR B 7 5.217 6.516 -0.782 1.00 0.00 H new ATOM 0 HB THR B 7 4.705 8.725 0.301 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.434 9.891 -2.215 1.00 0.00 H new ATOM 0 HG21 THR B 7 6.972 9.660 0.043 1.00 0.00 H new ATOM 0 HG22 THR B 7 7.005 7.888 0.204 1.00 0.00 H new ATOM 0 HG23 THR B 7 7.225 8.641 -1.393 1.00 0.00 H new ATOM 1279 N LEU B 8 2.709 7.159 -0.140 1.00 0.00 N ATOM 1280 CA LEU B 8 1.270 7.011 0.040 1.00 0.00 C ATOM 1281 C LEU B 8 0.523 8.222 -0.515 1.00 0.00 C ATOM 1282 O LEU B 8 -0.557 8.082 -1.087 1.00 0.00 O ATOM 1283 CB LEU B 8 0.962 6.806 1.533 1.00 0.00 C ATOM 1284 CG LEU B 8 -0.475 6.392 1.882 1.00 0.00 C ATOM 1285 CD1 LEU B 8 -0.486 5.616 3.188 1.00 0.00 C ATOM 1286 CD2 LEU B 8 -1.382 7.609 2.002 1.00 0.00 C ATOM 0 H LEU B 8 3.234 7.201 0.733 1.00 0.00 H new ATOM 0 HA LEU B 8 0.928 6.137 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.640 6.046 1.921 1.00 0.00 H new ATOM 0 HB3 LEU B 8 1.188 7.733 2.059 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.852 5.761 1.077 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -1.508 5.325 3.430 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.131 4.723 3.086 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.088 6.242 3.987 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.393 7.286 2.250 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.008 8.265 2.788 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.395 8.148 1.055 1.00 0.00 H new ATOM 1298 N THR B 9 1.112 9.402 -0.367 1.00 0.00 N ATOM 1299 CA THR B 9 0.473 10.630 -0.809 1.00 0.00 C ATOM 1300 C THR B 9 0.593 10.811 -2.323 1.00 0.00 C ATOM 1301 O THR B 9 -0.285 11.403 -2.956 1.00 0.00 O ATOM 1302 CB THR B 9 1.071 11.847 -0.082 1.00 0.00 C ATOM 1303 OG1 THR B 9 2.502 11.775 -0.104 1.00 0.00 O ATOM 1304 CG2 THR B 9 0.584 11.910 1.358 1.00 0.00 C ATOM 0 H THR B 9 2.031 9.532 0.056 1.00 0.00 H new ATOM 0 HA THR B 9 -0.586 10.555 -0.560 1.00 0.00 H new ATOM 0 HB THR B 9 0.744 12.749 -0.599 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.876 12.554 0.359 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.020 12.778 1.852 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.503 11.993 1.371 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.885 11.004 1.884 1.00 0.00 H new ATOM 1312 N GLY B 10 1.676 10.295 -2.899 1.00 0.00 N ATOM 1313 CA GLY B 10 1.854 10.369 -4.337 1.00 0.00 C ATOM 1314 C GLY B 10 3.296 10.613 -4.736 1.00 0.00 C ATOM 1315 O GLY B 10 3.763 10.068 -5.741 1.00 0.00 O ATOM 0 H GLY B 10 2.431 9.828 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.508 9.440 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.231 11.169 -4.735 1.00 0.00 H new ATOM 1319 N LYS B 11 3.992 11.434 -3.949 1.00 0.00 N ATOM 1320 CA LYS B 11 5.391 11.779 -4.210 1.00 0.00 C ATOM 1321 C LYS B 11 6.227 10.536 -4.498 1.00 0.00 C ATOM 1322 O LYS B 11 6.395 9.671 -3.638 1.00 0.00 O ATOM 1323 CB LYS B 11 5.988 12.535 -3.015 1.00 0.00 C ATOM 1324 CG LYS B 11 7.458 12.898 -3.186 1.00 0.00 C ATOM 1325 CD LYS B 11 7.672 13.895 -4.317 1.00 0.00 C ATOM 1326 CE LYS B 11 7.101 15.264 -3.979 1.00 0.00 C ATOM 1327 NZ LYS B 11 7.823 15.899 -2.844 1.00 0.00 N ATOM 0 H LYS B 11 3.605 11.877 -3.116 1.00 0.00 H new ATOM 0 HA LYS B 11 5.412 12.420 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.415 13.448 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS B 11 5.876 11.925 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.838 13.319 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.034 11.994 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS B 11 8.738 13.987 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.202 13.520 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS B 11 7.162 15.910 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS B 11 6.045 15.165 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 7.587 16.911 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.540 15.442 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 8.848 15.788 -2.979 1.00 0.00 H new ATOM 1341 N THR B 12 6.733 10.455 -5.714 1.00 0.00 N ATOM 1342 CA THR B 12 7.542 9.330 -6.130 1.00 0.00 C ATOM 1343 C THR B 12 9.019 9.717 -6.156 1.00 0.00 C ATOM 1344 O THR B 12 9.441 10.554 -6.955 1.00 0.00 O ATOM 1345 CB THR B 12 7.092 8.840 -7.514 1.00 0.00 C ATOM 1346 OG1 THR B 12 5.664 8.706 -7.518 1.00 0.00 O ATOM 1347 CG2 THR B 12 7.733 7.505 -7.854 1.00 0.00 C ATOM 0 H THR B 12 6.595 11.163 -6.435 1.00 0.00 H new ATOM 0 HA THR B 12 7.411 8.520 -5.412 1.00 0.00 H new ATOM 0 HB THR B 12 7.404 9.566 -8.264 1.00 0.00 H new ATOM 0 HG1 THR B 12 5.287 9.198 -6.759 1.00 0.00 H new ATOM 0 HG21 THR B 12 7.398 7.181 -8.839 1.00 0.00 H new ATOM 0 HG22 THR B 12 8.818 7.613 -7.857 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.444 6.763 -7.110 1.00 0.00 H new ATOM 1355 N ILE B 13 9.787 9.116 -5.262 1.00 0.00 N ATOM 1356 CA ILE B 13 11.197 9.444 -5.112 1.00 0.00 C ATOM 1357 C ILE B 13 12.070 8.398 -5.799 1.00 0.00 C ATOM 1358 O ILE B 13 11.887 7.197 -5.604 1.00 0.00 O ATOM 1359 CB ILE B 13 11.577 9.534 -3.618 1.00 0.00 C ATOM 1360 CG1 ILE B 13 10.588 10.432 -2.868 1.00 0.00 C ATOM 1361 CG2 ILE B 13 12.995 10.063 -3.458 1.00 0.00 C ATOM 1362 CD1 ILE B 13 10.826 10.482 -1.374 1.00 0.00 C ATOM 0 H ILE B 13 9.455 8.393 -4.624 1.00 0.00 H new ATOM 0 HA ILE B 13 11.368 10.412 -5.582 1.00 0.00 H new ATOM 0 HB ILE B 13 11.531 8.532 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.650 11.443 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.575 10.077 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE B 13 13.245 10.119 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.692 9.392 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.065 11.057 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.088 11.137 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.734 9.479 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.827 10.866 -1.178 1.00 0.00 H new ATOM 1374 N THR B 14 13.012 8.858 -6.606 1.00 0.00 N ATOM 1375 CA THR B 14 13.901 7.962 -7.325 1.00 0.00 C ATOM 1376 C THR B 14 15.102 7.583 -6.457 1.00 0.00 C ATOM 1377 O THR B 14 15.932 8.431 -6.123 1.00 0.00 O ATOM 1378 CB THR B 14 14.396 8.614 -8.630 1.00 0.00 C ATOM 1379 OG1 THR B 14 13.295 9.236 -9.306 1.00 0.00 O ATOM 1380 CG2 THR B 14 15.038 7.580 -9.544 1.00 0.00 C ATOM 0 H THR B 14 13.180 9.849 -6.779 1.00 0.00 H new ATOM 0 HA THR B 14 13.339 7.061 -7.570 1.00 0.00 H new ATOM 0 HB THR B 14 15.145 9.365 -8.378 1.00 0.00 H new ATOM 0 HG1 THR B 14 12.921 8.613 -9.964 1.00 0.00 H new ATOM 0 HG21 THR B 14 15.379 8.065 -10.459 1.00 0.00 H new ATOM 0 HG22 THR B 14 15.888 7.123 -9.036 1.00 0.00 H new ATOM 0 HG23 THR B 14 14.307 6.810 -9.792 1.00 0.00 H new ATOM 1388 N LEU B 15 15.187 6.312 -6.092 1.00 0.00 N ATOM 1389 CA LEU B 15 16.263 5.834 -5.232 1.00 0.00 C ATOM 1390 C LEU B 15 17.289 5.027 -6.014 1.00 0.00 C ATOM 1391 O LEU B 15 16.937 4.192 -6.848 1.00 0.00 O ATOM 1392 CB LEU B 15 15.706 4.980 -4.088 1.00 0.00 C ATOM 1393 CG LEU B 15 15.446 5.723 -2.773 1.00 0.00 C ATOM 1394 CD1 LEU B 15 16.712 6.414 -2.292 1.00 0.00 C ATOM 1395 CD2 LEU B 15 14.316 6.729 -2.925 1.00 0.00 C ATOM 0 H LEU B 15 14.524 5.592 -6.378 1.00 0.00 H new ATOM 0 HA LEU B 15 16.757 6.713 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.772 4.526 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU B 15 16.404 4.166 -3.893 1.00 0.00 H new ATOM 0 HG LEU B 15 15.144 4.988 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU B 15 16.509 6.936 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.493 5.671 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU B 15 17.043 7.131 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU B 15 14.154 7.241 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU B 15 14.579 7.459 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU B 15 13.403 6.210 -3.217 1.00 0.00 H new ATOM 1407 N GLU B 16 18.560 5.290 -5.737 1.00 0.00 N ATOM 1408 CA GLU B 16 19.653 4.514 -6.304 1.00 0.00 C ATOM 1409 C GLU B 16 20.122 3.481 -5.282 1.00 0.00 C ATOM 1410 O GLU B 16 20.821 3.808 -4.320 1.00 0.00 O ATOM 1411 CB GLU B 16 20.800 5.448 -6.725 1.00 0.00 C ATOM 1412 CG GLU B 16 22.076 4.737 -7.173 1.00 0.00 C ATOM 1413 CD GLU B 16 21.856 3.739 -8.294 1.00 0.00 C ATOM 1414 OE1 GLU B 16 21.671 4.163 -9.457 1.00 0.00 O ATOM 1415 OE2 GLU B 16 21.889 2.525 -8.017 1.00 0.00 O ATOM 0 H GLU B 16 18.860 6.042 -5.117 1.00 0.00 H new ATOM 0 HA GLU B 16 19.310 3.988 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.451 6.084 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.041 6.104 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU B 16 22.801 5.482 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.512 4.220 -6.318 1.00 0.00 H new ATOM 1422 N VAL B 17 19.689 2.244 -5.481 1.00 0.00 N ATOM 1423 CA VAL B 17 19.994 1.144 -4.575 1.00 0.00 C ATOM 1424 C VAL B 17 20.312 -0.117 -5.374 1.00 0.00 C ATOM 1425 O VAL B 17 19.725 -0.360 -6.429 1.00 0.00 O ATOM 1426 CB VAL B 17 18.813 0.851 -3.615 1.00 0.00 C ATOM 1427 CG1 VAL B 17 18.582 2.013 -2.661 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.546 0.554 -4.400 1.00 0.00 C ATOM 0 H VAL B 17 19.114 1.973 -6.279 1.00 0.00 H new ATOM 0 HA VAL B 17 20.858 1.439 -3.980 1.00 0.00 H new ATOM 0 HB VAL B 17 19.072 -0.028 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL B 17 17.748 1.780 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL B 17 19.481 2.180 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL B 17 18.352 2.912 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.729 0.351 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL B 17 17.292 1.414 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL B 17 17.708 -0.316 -5.036 1.00 0.00 H new ATOM 1438 N GLU B 18 21.247 -0.913 -4.887 1.00 0.00 N ATOM 1439 CA GLU B 18 21.613 -2.147 -5.567 1.00 0.00 C ATOM 1440 C GLU B 18 20.647 -3.271 -5.226 1.00 0.00 C ATOM 1441 O GLU B 18 19.846 -3.154 -4.301 1.00 0.00 O ATOM 1442 CB GLU B 18 23.043 -2.554 -5.212 1.00 0.00 C ATOM 1443 CG GLU B 18 24.094 -1.824 -6.029 1.00 0.00 C ATOM 1444 CD GLU B 18 23.936 -2.082 -7.512 1.00 0.00 C ATOM 1445 OE1 GLU B 18 24.330 -3.172 -7.973 1.00 0.00 O ATOM 1446 OE2 GLU B 18 23.406 -1.201 -8.224 1.00 0.00 O ATOM 0 H GLU B 18 21.766 -0.730 -4.028 1.00 0.00 H new ATOM 0 HA GLU B 18 21.556 -1.964 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.216 -2.361 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU B 18 23.156 -3.628 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU B 18 24.024 -0.753 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU B 18 25.087 -2.141 -5.709 1.00 0.00 H new ATOM 1453 N SER B 19 20.729 -4.359 -5.976 1.00 0.00 N ATOM 1454 CA SER B 19 19.879 -5.513 -5.745 1.00 0.00 C ATOM 1455 C SER B 19 20.180 -6.138 -4.387 1.00 0.00 C ATOM 1456 O SER B 19 19.300 -6.700 -3.732 1.00 0.00 O ATOM 1457 CB SER B 19 20.090 -6.524 -6.873 1.00 0.00 C ATOM 1458 OG SER B 19 21.469 -6.644 -7.185 1.00 0.00 O ATOM 0 H SER B 19 21.380 -4.465 -6.754 1.00 0.00 H new ATOM 0 HA SER B 19 18.835 -5.200 -5.738 1.00 0.00 H new ATOM 0 HB2 SER B 19 19.693 -7.495 -6.577 1.00 0.00 H new ATOM 0 HB3 SER B 19 19.537 -6.210 -7.758 1.00 0.00 H new ATOM 0 HG SER B 19 21.585 -7.296 -7.907 1.00 0.00 H new ATOM 1464 N SER B 20 21.428 -6.013 -3.957 1.00 0.00 N ATOM 1465 CA SER B 20 21.859 -6.559 -2.683 1.00 0.00 C ATOM 1466 C SER B 20 21.687 -5.537 -1.556 1.00 0.00 C ATOM 1467 O SER B 20 22.162 -5.746 -0.439 1.00 0.00 O ATOM 1468 CB SER B 20 23.320 -7.000 -2.783 1.00 0.00 C ATOM 1469 OG SER B 20 23.510 -7.875 -3.885 1.00 0.00 O ATOM 0 H SER B 20 22.163 -5.534 -4.478 1.00 0.00 H new ATOM 0 HA SER B 20 21.236 -7.421 -2.447 1.00 0.00 H new ATOM 0 HB2 SER B 20 23.961 -6.126 -2.893 1.00 0.00 H new ATOM 0 HB3 SER B 20 23.617 -7.500 -1.861 1.00 0.00 H new ATOM 0 HG SER B 20 24.451 -8.143 -3.931 1.00 0.00 H new ATOM 1475 N ASP B 21 21.007 -4.432 -1.851 1.00 0.00 N ATOM 1476 CA ASP B 21 20.706 -3.428 -0.837 1.00 0.00 C ATOM 1477 C ASP B 21 19.508 -3.905 -0.031 1.00 0.00 C ATOM 1478 O ASP B 21 18.591 -4.510 -0.589 1.00 0.00 O ATOM 1479 CB ASP B 21 20.406 -2.071 -1.491 1.00 0.00 C ATOM 1480 CG ASP B 21 20.586 -0.896 -0.548 1.00 0.00 C ATOM 1481 OD1 ASP B 21 19.618 -0.506 0.133 1.00 0.00 O ATOM 1482 OD2 ASP B 21 21.700 -0.338 -0.503 1.00 0.00 O ATOM 0 H ASP B 21 20.655 -4.210 -2.782 1.00 0.00 H new ATOM 0 HA ASP B 21 21.567 -3.296 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP B 21 21.060 -1.939 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP B 21 19.382 -2.074 -1.865 1.00 0.00 H new ATOM 1487 N THR B 22 19.520 -3.677 1.269 1.00 0.00 N ATOM 1488 CA THR B 22 18.452 -4.174 2.117 1.00 0.00 C ATOM 1489 C THR B 22 17.293 -3.185 2.171 1.00 0.00 C ATOM 1490 O THR B 22 17.487 -1.980 2.022 1.00 0.00 O ATOM 1491 CB THR B 22 18.953 -4.465 3.544 1.00 0.00 C ATOM 1492 OG1 THR B 22 19.590 -3.306 4.094 1.00 0.00 O ATOM 1493 CG2 THR B 22 19.923 -5.637 3.548 1.00 0.00 C ATOM 0 H THR B 22 20.249 -3.157 1.757 1.00 0.00 H new ATOM 0 HA THR B 22 18.102 -5.108 1.677 1.00 0.00 H new ATOM 0 HB THR B 22 18.091 -4.724 4.159 1.00 0.00 H new ATOM 0 HG1 THR B 22 19.902 -3.504 5.002 1.00 0.00 H new ATOM 0 HG21 THR B 22 20.263 -5.824 4.566 1.00 0.00 H new ATOM 0 HG22 THR B 22 19.422 -6.525 3.164 1.00 0.00 H new ATOM 0 HG23 THR B 22 20.780 -5.402 2.916 1.00 0.00 H new ATOM 1501 N ILE B 23 16.089 -3.704 2.390 1.00 0.00 N ATOM 1502 CA ILE B 23 14.887 -2.875 2.451 1.00 0.00 C ATOM 1503 C ILE B 23 15.031 -1.786 3.514 1.00 0.00 C ATOM 1504 O ILE B 23 14.558 -0.661 3.333 1.00 0.00 O ATOM 1505 CB ILE B 23 13.630 -3.726 2.744 1.00 0.00 C ATOM 1506 CG1 ILE B 23 13.458 -4.806 1.670 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.382 -2.853 2.822 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.322 -4.260 0.262 1.00 0.00 C ATOM 0 H ILE B 23 15.918 -4.700 2.529 1.00 0.00 H new ATOM 0 HA ILE B 23 14.767 -2.406 1.475 1.00 0.00 H new ATOM 0 HB ILE B 23 13.766 -4.209 3.712 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.314 -5.479 1.706 1.00 0.00 H new ATOM 0 HG13 ILE B 23 12.575 -5.400 1.905 1.00 0.00 H new ATOM 0 HG21 ILE B 23 11.513 -3.478 3.029 1.00 0.00 H new ATOM 0 HG22 ILE B 23 12.500 -2.120 3.620 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.239 -2.336 1.873 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.204 -5.086 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.449 -3.610 0.207 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.215 -3.691 0.005 1.00 0.00 H new ATOM 1520 N ASP B 24 15.700 -2.115 4.613 1.00 0.00 N ATOM 1521 CA ASP B 24 15.945 -1.137 5.667 1.00 0.00 C ATOM 1522 C ASP B 24 16.939 -0.080 5.209 1.00 0.00 C ATOM 1523 O ASP B 24 16.808 1.093 5.550 1.00 0.00 O ATOM 1524 CB ASP B 24 16.454 -1.802 6.945 1.00 0.00 C ATOM 1525 CG ASP B 24 16.891 -0.783 7.981 1.00 0.00 C ATOM 1526 OD1 ASP B 24 16.017 -0.155 8.616 1.00 0.00 O ATOM 1527 OD2 ASP B 24 18.114 -0.587 8.147 1.00 0.00 O ATOM 0 H ASP B 24 16.080 -3.044 4.797 1.00 0.00 H new ATOM 0 HA ASP B 24 14.991 -0.658 5.885 1.00 0.00 H new ATOM 0 HB2 ASP B 24 15.668 -2.431 7.364 1.00 0.00 H new ATOM 0 HB3 ASP B 24 17.292 -2.456 6.704 1.00 0.00 H new ATOM 1532 N ASN B 25 17.921 -0.477 4.419 1.00 0.00 N ATOM 1533 CA ASN B 25 18.911 0.475 3.941 1.00 0.00 C ATOM 1534 C ASN B 25 18.283 1.387 2.891 1.00 0.00 C ATOM 1535 O ASN B 25 18.606 2.574 2.811 1.00 0.00 O ATOM 1536 CB ASN B 25 20.139 -0.238 3.368 1.00 0.00 C ATOM 1537 CG ASN B 25 21.364 0.666 3.318 1.00 0.00 C ATOM 1538 OD1 ASN B 25 22.119 0.655 2.346 1.00 0.00 O ATOM 1539 ND2 ASN B 25 21.602 1.415 4.384 1.00 0.00 N ATOM 0 H ASN B 25 18.055 -1.436 4.098 1.00 0.00 H new ATOM 0 HA ASN B 25 19.245 1.077 4.786 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.363 -1.115 3.975 1.00 0.00 H new ATOM 0 HB3 ASN B 25 19.913 -0.595 2.363 1.00 0.00 H new ATOM 0 HD21 ASN B 25 22.432 2.007 4.416 1.00 0.00 H new ATOM 0 HD22 ASN B 25 20.955 1.400 5.172 1.00 0.00 H new ATOM 1546 N VAL B 26 17.374 0.829 2.092 1.00 0.00 N ATOM 1547 CA VAL B 26 16.606 1.614 1.139 1.00 0.00 C ATOM 1548 C VAL B 26 15.737 2.630 1.874 1.00 0.00 C ATOM 1549 O VAL B 26 15.782 3.828 1.581 1.00 0.00 O ATOM 1550 CB VAL B 26 15.704 0.722 0.257 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.932 1.567 -0.737 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.522 -0.327 -0.475 1.00 0.00 C ATOM 0 H VAL B 26 17.154 -0.167 2.090 1.00 0.00 H new ATOM 0 HA VAL B 26 17.318 2.128 0.494 1.00 0.00 H new ATOM 0 HB VAL B 26 14.997 0.210 0.910 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.302 0.923 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.307 2.281 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.631 2.106 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL B 26 15.862 -0.941 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.257 0.164 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL B 26 17.035 -0.959 0.250 1.00 0.00 H new ATOM 1562 N LYS B 27 14.961 2.153 2.848 1.00 0.00 N ATOM 1563 CA LYS B 27 14.092 3.034 3.614 1.00 0.00 C ATOM 1564 C LYS B 27 14.921 4.049 4.392 1.00 0.00 C ATOM 1565 O LYS B 27 14.457 5.154 4.649 1.00 0.00 O ATOM 1566 CB LYS B 27 13.172 2.254 4.569 1.00 0.00 C ATOM 1567 CG LYS B 27 13.905 1.478 5.646 1.00 0.00 C ATOM 1568 CD LYS B 27 12.958 0.910 6.688 1.00 0.00 C ATOM 1569 CE LYS B 27 11.976 -0.086 6.094 1.00 0.00 C ATOM 1570 NZ LYS B 27 11.126 -0.698 7.149 1.00 0.00 N ATOM 0 H LYS B 27 14.919 1.171 3.120 1.00 0.00 H new ATOM 0 HA LYS B 27 13.454 3.559 2.903 1.00 0.00 H new ATOM 0 HB2 LYS B 27 12.485 2.954 5.045 1.00 0.00 H new ATOM 0 HB3 LYS B 27 12.567 1.560 3.986 1.00 0.00 H new ATOM 0 HG2 LYS B 27 14.467 0.665 5.187 1.00 0.00 H new ATOM 0 HG3 LYS B 27 14.629 2.131 6.133 1.00 0.00 H new ATOM 0 HD2 LYS B 27 13.536 0.423 7.473 1.00 0.00 H new ATOM 0 HD3 LYS B 27 12.406 1.725 7.157 1.00 0.00 H new ATOM 0 HE2 LYS B 27 11.345 0.415 5.360 1.00 0.00 H new ATOM 0 HE3 LYS B 27 12.522 -0.867 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 10.537 -1.446 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 11.732 -1.108 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.514 0.031 7.568 1.00 0.00 H new ATOM 1584 N SER B 28 16.145 3.672 4.762 1.00 0.00 N ATOM 1585 CA SER B 28 17.048 4.577 5.463 1.00 0.00 C ATOM 1586 C SER B 28 17.464 5.726 4.552 1.00 0.00 C ATOM 1587 O SER B 28 17.565 6.874 4.990 1.00 0.00 O ATOM 1588 CB SER B 28 18.271 3.825 5.991 1.00 0.00 C ATOM 1589 OG SER B 28 19.218 4.712 6.566 1.00 0.00 O ATOM 0 H SER B 28 16.532 2.745 4.586 1.00 0.00 H new ATOM 0 HA SER B 28 16.519 4.996 6.319 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.956 3.094 6.736 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.738 3.270 5.177 1.00 0.00 H new ATOM 0 HG SER B 28 19.987 4.201 6.895 1.00 0.00 H new ATOM 1595 N LYS B 29 17.682 5.422 3.278 1.00 0.00 N ATOM 1596 CA LYS B 29 17.969 6.456 2.292 1.00 0.00 C ATOM 1597 C LYS B 29 16.761 7.380 2.147 1.00 0.00 C ATOM 1598 O LYS B 29 16.903 8.577 1.902 1.00 0.00 O ATOM 1599 CB LYS B 29 18.332 5.830 0.942 1.00 0.00 C ATOM 1600 CG LYS B 29 19.540 4.909 1.002 1.00 0.00 C ATOM 1601 CD LYS B 29 19.881 4.341 -0.366 1.00 0.00 C ATOM 1602 CE LYS B 29 20.991 3.300 -0.289 1.00 0.00 C ATOM 1603 NZ LYS B 29 20.577 2.097 0.484 1.00 0.00 N ATOM 0 H LYS B 29 17.666 4.473 2.905 1.00 0.00 H new ATOM 0 HA LYS B 29 18.823 7.040 2.633 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.475 5.268 0.570 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.528 6.626 0.223 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.397 5.458 1.392 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.341 4.092 1.696 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.990 3.890 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS B 29 20.188 5.150 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS B 29 21.278 3.002 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS B 29 21.872 3.743 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 21.418 1.638 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.935 2.381 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.088 1.430 -0.147 1.00 0.00 H new ATOM 1617 N ILE B 30 15.571 6.812 2.310 1.00 0.00 N ATOM 1618 CA ILE B 30 14.342 7.599 2.329 1.00 0.00 C ATOM 1619 C ILE B 30 14.279 8.462 3.596 1.00 0.00 C ATOM 1620 O ILE B 30 13.862 9.619 3.550 1.00 0.00 O ATOM 1621 CB ILE B 30 13.089 6.698 2.256 1.00 0.00 C ATOM 1622 CG1 ILE B 30 13.169 5.770 1.040 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.824 7.547 2.195 1.00 0.00 C ATOM 1624 CD1 ILE B 30 12.032 4.775 0.953 1.00 0.00 C ATOM 0 H ILE B 30 15.431 5.809 2.431 1.00 0.00 H new ATOM 0 HA ILE B 30 14.353 8.242 1.449 1.00 0.00 H new ATOM 0 HB ILE B 30 13.051 6.086 3.157 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.180 6.375 0.133 1.00 0.00 H new ATOM 0 HG13 ILE B 30 14.113 5.226 1.071 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.951 6.896 2.144 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.761 8.170 3.087 1.00 0.00 H new ATOM 0 HG23 ILE B 30 11.855 8.183 1.310 1.00 0.00 H new ATOM 0 HD11 ILE B 30 12.159 4.154 0.066 1.00 0.00 H new ATOM 0 HD12 ILE B 30 12.032 4.143 1.841 1.00 0.00 H new ATOM 0 HD13 ILE B 30 11.084 5.310 0.889 1.00 0.00 H new ATOM 1636 N GLN B 31 14.714 7.897 4.724 1.00 0.00 N ATOM 1637 CA GLN B 31 14.750 8.630 5.995 1.00 0.00 C ATOM 1638 C GLN B 31 15.756 9.770 5.913 1.00 0.00 C ATOM 1639 O GLN B 31 15.627 10.784 6.598 1.00 0.00 O ATOM 1640 CB GLN B 31 15.130 7.704 7.156 1.00 0.00 C ATOM 1641 CG GLN B 31 14.263 6.476 7.281 1.00 0.00 C ATOM 1642 CD GLN B 31 15.013 5.339 7.933 1.00 0.00 C ATOM 1643 OE1 GLN B 31 14.688 4.117 7.548 1.00 0.00 O flip ATOM 1644 NE2 GLN B 31 15.899 5.555 8.758 1.00 0.00 N flip ATOM 0 H GLN B 31 15.047 6.935 4.785 1.00 0.00 H new ATOM 0 HA GLN B 31 13.753 9.030 6.178 1.00 0.00 H new ATOM 0 HB2 GLN B 31 16.167 7.391 7.031 1.00 0.00 H new ATOM 0 HB3 GLN B 31 15.077 8.268 8.087 1.00 0.00 H new ATOM 0 HG2 GLN B 31 13.376 6.713 7.868 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.919 6.169 6.293 1.00 0.00 H new ATOM 0 HE21 GLN B 31 16.121 6.513 9.029 1.00 0.00 H new ATOM 0 HE22 GLN B 31 16.412 4.776 9.171 1.00 0.00 H new ATOM 1653 N ASP B 32 16.762 9.587 5.071 1.00 0.00 N ATOM 1654 CA ASP B 32 17.763 10.614 4.831 1.00 0.00 C ATOM 1655 C ASP B 32 17.116 11.831 4.179 1.00 0.00 C ATOM 1656 O ASP B 32 17.500 12.969 4.438 1.00 0.00 O ATOM 1657 CB ASP B 32 18.878 10.064 3.937 1.00 0.00 C ATOM 1658 CG ASP B 32 20.005 11.053 3.722 1.00 0.00 C ATOM 1659 OD1 ASP B 32 19.938 11.842 2.757 1.00 0.00 O ATOM 1660 OD2 ASP B 32 20.974 11.029 4.510 1.00 0.00 O ATOM 0 H ASP B 32 16.907 8.729 4.539 1.00 0.00 H new ATOM 0 HA ASP B 32 18.196 10.915 5.785 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.280 9.155 4.384 1.00 0.00 H new ATOM 0 HB3 ASP B 32 18.457 9.785 2.971 1.00 0.00 H new ATOM 1665 N LYS B 33 16.108 11.581 3.355 1.00 0.00 N ATOM 1666 CA LYS B 33 15.410 12.648 2.657 1.00 0.00 C ATOM 1667 C LYS B 33 14.222 13.155 3.467 1.00 0.00 C ATOM 1668 O LYS B 33 14.212 14.299 3.921 1.00 0.00 O ATOM 1669 CB LYS B 33 14.932 12.169 1.283 1.00 0.00 C ATOM 1670 CG LYS B 33 16.057 11.732 0.361 1.00 0.00 C ATOM 1671 CD LYS B 33 17.076 12.841 0.171 1.00 0.00 C ATOM 1672 CE LYS B 33 18.135 12.461 -0.846 1.00 0.00 C ATOM 1673 NZ LYS B 33 19.174 13.515 -0.984 1.00 0.00 N ATOM 0 H LYS B 33 15.756 10.645 3.154 1.00 0.00 H new ATOM 0 HA LYS B 33 16.113 13.470 2.525 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.242 11.336 1.419 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.372 12.972 0.803 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.548 10.851 0.775 1.00 0.00 H new ATOM 0 HG3 LYS B 33 15.646 11.443 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS B 33 16.569 13.750 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.552 13.065 1.126 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.606 11.524 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.664 12.287 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.879 13.217 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.729 14.403 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.642 13.664 -0.067 1.00 0.00 H new ATOM 1687 N GLU B 34 13.237 12.292 3.667 1.00 0.00 N ATOM 1688 CA GLU B 34 11.981 12.694 4.291 1.00 0.00 C ATOM 1689 C GLU B 34 12.080 12.677 5.813 1.00 0.00 C ATOM 1690 O GLU B 34 11.587 13.584 6.486 1.00 0.00 O ATOM 1691 CB GLU B 34 10.848 11.778 3.829 1.00 0.00 C ATOM 1692 CG GLU B 34 10.742 11.659 2.316 1.00 0.00 C ATOM 1693 CD GLU B 34 10.621 13.005 1.630 1.00 0.00 C ATOM 1694 OE1 GLU B 34 9.484 13.482 1.443 1.00 0.00 O ATOM 1695 OE2 GLU B 34 11.662 13.593 1.272 1.00 0.00 O ATOM 0 H GLU B 34 13.282 11.307 3.406 1.00 0.00 H new ATOM 0 HA GLU B 34 11.768 13.717 3.982 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.998 10.785 4.254 1.00 0.00 H new ATOM 0 HB3 GLU B 34 9.904 12.154 4.223 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.621 11.139 1.934 1.00 0.00 H new ATOM 0 HG3 GLU B 34 9.875 11.048 2.064 1.00 0.00 H new ATOM 1702 N GLY B 35 12.716 11.647 6.349 1.00 0.00 N ATOM 1703 CA GLY B 35 12.851 11.524 7.788 1.00 0.00 C ATOM 1704 C GLY B 35 11.656 10.840 8.420 1.00 0.00 C ATOM 1705 O GLY B 35 11.084 11.339 9.391 1.00 0.00 O ATOM 0 H GLY B 35 13.143 10.891 5.813 1.00 0.00 H new ATOM 0 HA2 GLY B 35 13.754 10.960 8.019 1.00 0.00 H new ATOM 0 HA3 GLY B 35 12.973 12.515 8.225 1.00 0.00 H new ATOM 1709 N ILE B 36 11.269 9.703 7.865 1.00 0.00 N ATOM 1710 CA ILE B 36 10.133 8.951 8.376 1.00 0.00 C ATOM 1711 C ILE B 36 10.616 7.699 9.105 1.00 0.00 C ATOM 1712 O ILE B 36 11.472 6.980 8.588 1.00 0.00 O ATOM 1713 CB ILE B 36 9.177 8.546 7.230 1.00 0.00 C ATOM 1714 CG1 ILE B 36 8.752 9.777 6.422 1.00 0.00 C ATOM 1715 CG2 ILE B 36 7.953 7.823 7.779 1.00 0.00 C ATOM 1716 CD1 ILE B 36 7.886 9.451 5.223 1.00 0.00 C ATOM 0 H ILE B 36 11.726 9.279 7.058 1.00 0.00 H new ATOM 0 HA ILE B 36 9.591 9.591 9.072 1.00 0.00 H new ATOM 0 HB ILE B 36 9.710 7.864 6.567 1.00 0.00 H new ATOM 0 HG12 ILE B 36 8.209 10.460 7.076 1.00 0.00 H new ATOM 0 HG13 ILE B 36 9.644 10.303 6.082 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.294 7.547 6.956 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.269 6.924 8.308 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.420 8.480 8.466 1.00 0.00 H new ATOM 0 HD11 ILE B 36 7.625 10.372 4.701 1.00 0.00 H new ATOM 0 HD12 ILE B 36 8.433 8.793 4.547 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.976 8.953 5.556 1.00 0.00 H new ATOM 1728 N PRO B 37 10.099 7.453 10.330 1.00 0.00 N ATOM 1729 CA PRO B 37 10.408 6.253 11.121 1.00 0.00 C ATOM 1730 C PRO B 37 10.547 4.988 10.269 1.00 0.00 C ATOM 1731 O PRO B 37 9.613 4.600 9.562 1.00 0.00 O ATOM 1732 CB PRO B 37 9.189 6.155 12.030 1.00 0.00 C ATOM 1733 CG PRO B 37 8.838 7.573 12.313 1.00 0.00 C ATOM 1734 CD PRO B 37 9.177 8.348 11.062 1.00 0.00 C ATOM 0 HA PRO B 37 11.364 6.330 11.639 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.368 5.630 11.542 1.00 0.00 H new ATOM 0 HB3 PRO B 37 9.416 5.609 12.946 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.780 7.671 12.557 1.00 0.00 H new ATOM 0 HG3 PRO B 37 9.399 7.950 13.168 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.286 8.570 10.475 1.00 0.00 H new ATOM 0 HD3 PRO B 37 9.649 9.302 11.298 1.00 0.00 H new ATOM 1742 N PRO B 38 11.718 4.331 10.330 1.00 0.00 N ATOM 1743 CA PRO B 38 12.016 3.150 9.510 1.00 0.00 C ATOM 1744 C PRO B 38 10.998 2.024 9.680 1.00 0.00 C ATOM 1745 O PRO B 38 10.530 1.456 8.692 1.00 0.00 O ATOM 1746 CB PRO B 38 13.395 2.709 9.999 1.00 0.00 C ATOM 1747 CG PRO B 38 13.999 3.936 10.589 1.00 0.00 C ATOM 1748 CD PRO B 38 12.856 4.704 11.189 1.00 0.00 C ATOM 0 HA PRO B 38 11.981 3.388 8.447 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.316 1.912 10.738 1.00 0.00 H new ATOM 0 HB3 PRO B 38 14.001 2.325 9.179 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.740 3.682 11.347 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.510 4.526 9.828 1.00 0.00 H new ATOM 0 HD2 PRO B 38 12.685 4.426 12.229 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.039 5.778 11.172 1.00 0.00 H new ATOM 1756 N ASP B 39 10.651 1.711 10.923 1.00 0.00 N ATOM 1757 CA ASP B 39 9.666 0.662 11.209 1.00 0.00 C ATOM 1758 C ASP B 39 8.310 1.012 10.612 1.00 0.00 C ATOM 1759 O ASP B 39 7.508 0.134 10.302 1.00 0.00 O ATOM 1760 CB ASP B 39 9.508 0.459 12.718 1.00 0.00 C ATOM 1761 CG ASP B 39 10.742 -0.120 13.372 1.00 0.00 C ATOM 1762 OD1 ASP B 39 11.690 0.647 13.635 1.00 0.00 O ATOM 1763 OD2 ASP B 39 10.762 -1.338 13.646 1.00 0.00 O ATOM 0 H ASP B 39 11.034 2.165 11.752 1.00 0.00 H new ATOM 0 HA ASP B 39 10.032 -0.260 10.757 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.272 1.416 13.184 1.00 0.00 H new ATOM 0 HB3 ASP B 39 8.662 -0.203 12.903 1.00 0.00 H new ATOM 1768 N GLN B 40 8.074 2.304 10.435 1.00 0.00 N ATOM 1769 CA GLN B 40 6.795 2.789 9.950 1.00 0.00 C ATOM 1770 C GLN B 40 6.720 2.704 8.426 1.00 0.00 C ATOM 1771 O GLN B 40 5.640 2.541 7.859 1.00 0.00 O ATOM 1772 CB GLN B 40 6.578 4.235 10.409 1.00 0.00 C ATOM 1773 CG GLN B 40 5.201 4.776 10.074 1.00 0.00 C ATOM 1774 CD GLN B 40 5.021 6.226 10.469 1.00 0.00 C ATOM 1775 OE1 GLN B 40 3.920 6.647 10.815 1.00 0.00 O ATOM 1776 NE2 GLN B 40 6.089 7.000 10.395 1.00 0.00 N ATOM 0 H GLN B 40 8.758 3.037 10.622 1.00 0.00 H new ATOM 0 HA GLN B 40 6.008 2.158 10.364 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.730 4.292 11.487 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.332 4.872 9.947 1.00 0.00 H new ATOM 0 HG2 GLN B 40 5.027 4.673 9.003 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.447 4.172 10.579 1.00 0.00 H new ATOM 0 HE21 GLN B 40 6.984 6.608 10.103 1.00 0.00 H new ATOM 0 HE22 GLN B 40 6.019 7.990 10.630 1.00 0.00 H new ATOM 1785 N GLN B 41 7.870 2.809 7.771 1.00 0.00 N ATOM 1786 CA GLN B 41 7.924 2.789 6.315 1.00 0.00 C ATOM 1787 C GLN B 41 7.830 1.363 5.773 1.00 0.00 C ATOM 1788 O GLN B 41 8.760 0.564 5.924 1.00 0.00 O ATOM 1789 CB GLN B 41 9.210 3.455 5.823 1.00 0.00 C ATOM 1790 CG GLN B 41 9.250 4.959 6.052 1.00 0.00 C ATOM 1791 CD GLN B 41 10.542 5.595 5.571 1.00 0.00 C ATOM 1792 OE1 GLN B 41 11.632 4.850 5.637 1.00 0.00 O flip ATOM 1793 NE2 GLN B 41 10.561 6.749 5.149 1.00 0.00 N flip ATOM 0 H GLN B 41 8.778 2.909 8.225 1.00 0.00 H new ATOM 0 HA GLN B 41 7.066 3.348 5.942 1.00 0.00 H new ATOM 0 HB2 GLN B 41 10.061 2.997 6.328 1.00 0.00 H new ATOM 0 HB3 GLN B 41 9.326 3.256 4.758 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.409 5.423 5.537 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.124 5.163 7.115 1.00 0.00 H new ATOM 0 HE21 GLN B 41 9.699 7.293 5.113 1.00 0.00 H new ATOM 0 HE22 GLN B 41 11.439 7.163 4.835 1.00 0.00 H new ATOM 1802 N ARG B 42 6.701 1.051 5.150 1.00 0.00 N ATOM 1803 CA ARG B 42 6.487 -0.257 4.544 1.00 0.00 C ATOM 1804 C ARG B 42 6.403 -0.131 3.032 1.00 0.00 C ATOM 1805 O ARG B 42 5.568 0.604 2.509 1.00 0.00 O ATOM 1806 CB ARG B 42 5.198 -0.891 5.076 1.00 0.00 C ATOM 1807 CG ARG B 42 5.217 -1.161 6.569 1.00 0.00 C ATOM 1808 CD ARG B 42 5.707 -2.566 6.895 1.00 0.00 C ATOM 1809 NE ARG B 42 7.065 -2.828 6.413 1.00 0.00 N ATOM 1810 CZ ARG B 42 8.123 -2.969 7.213 1.00 0.00 C ATOM 1811 NH1 ARG B 42 8.003 -2.819 8.527 1.00 0.00 N ATOM 1812 NH2 ARG B 42 9.308 -3.272 6.695 1.00 0.00 N ATOM 0 H ARG B 42 5.913 1.692 5.051 1.00 0.00 H new ATOM 0 HA ARG B 42 7.331 -0.895 4.805 1.00 0.00 H new ATOM 0 HB2 ARG B 42 4.360 -0.234 4.846 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.022 -1.829 4.549 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.860 -0.431 7.060 1.00 0.00 H new ATOM 0 HG3 ARG B 42 4.214 -1.025 6.974 1.00 0.00 H new ATOM 0 HD2 ARG B 42 5.676 -2.713 7.975 1.00 0.00 H new ATOM 0 HD3 ARG B 42 5.025 -3.293 6.455 1.00 0.00 H new ATOM 0 HE ARG B 42 7.210 -2.907 5.407 1.00 0.00 H new ATOM 0 HH11 ARG B 42 7.095 -2.594 8.934 1.00 0.00 H new ATOM 0 HH12 ARG B 42 8.819 -2.929 9.129 1.00 0.00 H new ATOM 0 HH21 ARG B 42 9.407 -3.396 5.688 1.00 0.00 H new ATOM 0 HH22 ARG B 42 10.118 -3.380 7.305 1.00 0.00 H new ATOM 1826 N LEU B 43 7.276 -0.835 2.334 1.00 0.00 N ATOM 1827 CA LEU B 43 7.247 -0.854 0.881 1.00 0.00 C ATOM 1828 C LEU B 43 6.392 -2.015 0.396 1.00 0.00 C ATOM 1829 O LEU B 43 6.576 -3.144 0.835 1.00 0.00 O ATOM 1830 CB LEU B 43 8.666 -0.983 0.313 1.00 0.00 C ATOM 1831 CG LEU B 43 9.597 0.200 0.589 1.00 0.00 C ATOM 1832 CD1 LEU B 43 11.010 -0.115 0.123 1.00 0.00 C ATOM 1833 CD2 LEU B 43 9.082 1.451 -0.103 1.00 0.00 C ATOM 0 H LEU B 43 8.015 -1.402 2.750 1.00 0.00 H new ATOM 0 HA LEU B 43 6.816 0.084 0.532 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.122 -1.885 0.722 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.595 -1.123 -0.766 1.00 0.00 H new ATOM 0 HG LEU B 43 9.618 0.379 1.664 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.659 0.737 0.327 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.382 -0.990 0.656 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.003 -0.318 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU B 43 9.755 2.284 0.103 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.036 1.279 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 43 8.086 1.689 0.270 1.00 0.00 H new ATOM 1845 N ILE B 44 5.438 -1.738 -0.472 1.00 0.00 N ATOM 1846 CA ILE B 44 4.628 -2.791 -1.064 1.00 0.00 C ATOM 1847 C ILE B 44 5.036 -3.011 -2.518 1.00 0.00 C ATOM 1848 O ILE B 44 5.068 -2.066 -3.317 1.00 0.00 O ATOM 1849 CB ILE B 44 3.106 -2.488 -0.981 1.00 0.00 C ATOM 1850 CG1 ILE B 44 2.590 -2.597 0.463 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.318 -3.431 -1.879 1.00 0.00 C ATOM 1852 CD1 ILE B 44 3.026 -1.469 1.373 1.00 0.00 C ATOM 0 H ILE B 44 5.203 -0.796 -0.784 1.00 0.00 H new ATOM 0 HA ILE B 44 4.810 -3.698 -0.488 1.00 0.00 H new ATOM 0 HB ILE B 44 2.960 -1.463 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.501 -2.631 0.444 1.00 0.00 H new ATOM 0 HG13 ILE B 44 2.931 -3.541 0.887 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.255 -3.201 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.645 -3.308 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.489 -4.461 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.617 -1.627 2.371 1.00 0.00 H new ATOM 0 HD12 ILE B 44 4.114 -1.445 1.427 1.00 0.00 H new ATOM 0 HD13 ILE B 44 2.661 -0.521 0.978 1.00 0.00 H new ATOM 1864 N PHE B 45 5.366 -4.254 -2.846 1.00 0.00 N ATOM 1865 CA PHE B 45 5.756 -4.619 -4.200 1.00 0.00 C ATOM 1866 C PHE B 45 4.824 -5.696 -4.748 1.00 0.00 C ATOM 1867 O PHE B 45 4.836 -6.834 -4.275 1.00 0.00 O ATOM 1868 CB PHE B 45 7.207 -5.112 -4.220 1.00 0.00 C ATOM 1869 CG PHE B 45 7.671 -5.605 -5.564 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.854 -4.724 -6.615 1.00 0.00 C ATOM 1871 CD2 PHE B 45 7.918 -6.952 -5.772 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.277 -5.178 -7.851 1.00 0.00 C ATOM 1873 CE2 PHE B 45 8.340 -7.411 -7.004 1.00 0.00 C ATOM 1874 CZ PHE B 45 8.520 -6.523 -8.046 1.00 0.00 C ATOM 0 H PHE B 45 5.371 -5.031 -2.186 1.00 0.00 H new ATOM 0 HA PHE B 45 5.679 -3.736 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.859 -4.300 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.316 -5.916 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.665 -3.671 -6.469 1.00 0.00 H new ATOM 0 HD2 PHE B 45 7.779 -7.651 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.417 -4.480 -8.664 1.00 0.00 H new ATOM 0 HE2 PHE B 45 8.529 -8.464 -7.153 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.850 -6.880 -9.011 1.00 0.00 H new ATOM 1884 N ALA B 46 3.994 -5.307 -5.716 1.00 0.00 N ATOM 1885 CA ALA B 46 3.086 -6.230 -6.402 1.00 0.00 C ATOM 1886 C ALA B 46 2.098 -6.886 -5.437 1.00 0.00 C ATOM 1887 O ALA B 46 1.505 -7.919 -5.746 1.00 0.00 O ATOM 1888 CB ALA B 46 3.881 -7.290 -7.158 1.00 0.00 C ATOM 0 H ALA B 46 3.931 -4.344 -6.047 1.00 0.00 H new ATOM 0 HA ALA B 46 2.502 -5.647 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA B 46 3.194 -7.969 -7.663 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.522 -6.807 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.497 -7.853 -6.456 1.00 0.00 H new ATOM 1894 N GLY B 47 1.910 -6.275 -4.275 1.00 0.00 N ATOM 1895 CA GLY B 47 0.985 -6.814 -3.298 1.00 0.00 C ATOM 1896 C GLY B 47 1.685 -7.364 -2.075 1.00 0.00 C ATOM 1897 O GLY B 47 1.065 -7.567 -1.029 1.00 0.00 O ATOM 0 H GLY B 47 2.381 -5.416 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.289 -6.033 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.394 -7.605 -3.760 1.00 0.00 H new ATOM 1901 N LYS B 48 2.978 -7.608 -2.206 1.00 0.00 N ATOM 1902 CA LYS B 48 3.772 -8.135 -1.108 1.00 0.00 C ATOM 1903 C LYS B 48 4.301 -6.994 -0.253 1.00 0.00 C ATOM 1904 O LYS B 48 4.969 -6.092 -0.762 1.00 0.00 O ATOM 1905 CB LYS B 48 4.944 -8.956 -1.655 1.00 0.00 C ATOM 1906 CG LYS B 48 4.518 -10.103 -2.554 1.00 0.00 C ATOM 1907 CD LYS B 48 5.714 -10.767 -3.220 1.00 0.00 C ATOM 1908 CE LYS B 48 5.287 -11.927 -4.105 1.00 0.00 C ATOM 1909 NZ LYS B 48 4.362 -11.500 -5.190 1.00 0.00 N ATOM 0 H LYS B 48 3.503 -7.449 -3.066 1.00 0.00 H new ATOM 0 HA LYS B 48 3.140 -8.778 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.609 -8.297 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.518 -9.355 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS B 48 3.971 -10.841 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.835 -9.733 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.253 -10.032 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.404 -11.126 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.170 -12.390 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.800 -12.687 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.259 -12.270 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.432 -11.273 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.748 -10.658 -5.664 1.00 0.00 H new ATOM 1923 N GLN B 49 3.990 -7.016 1.036 1.00 0.00 N ATOM 1924 CA GLN B 49 4.527 -6.016 1.945 1.00 0.00 C ATOM 1925 C GLN B 49 5.949 -6.398 2.342 1.00 0.00 C ATOM 1926 O GLN B 49 6.184 -7.437 2.958 1.00 0.00 O ATOM 1927 CB GLN B 49 3.629 -5.826 3.179 1.00 0.00 C ATOM 1928 CG GLN B 49 3.377 -7.091 3.990 1.00 0.00 C ATOM 1929 CD GLN B 49 2.586 -6.825 5.259 1.00 0.00 C ATOM 1930 OE1 GLN B 49 3.157 -6.532 6.310 1.00 0.00 O ATOM 1931 NE2 GLN B 49 1.267 -6.944 5.179 1.00 0.00 N ATOM 0 H GLN B 49 3.377 -7.706 1.470 1.00 0.00 H new ATOM 0 HA GLN B 49 4.551 -5.056 1.429 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.084 -5.079 3.830 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.670 -5.423 2.854 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.838 -7.811 3.375 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.332 -7.547 4.251 1.00 0.00 H new ATOM 0 HE21 GLN B 49 0.830 -7.188 4.290 1.00 0.00 H new ATOM 0 HE22 GLN B 49 0.690 -6.791 6.006 1.00 0.00 H new ATOM 1940 N LEU B 50 6.897 -5.564 1.950 1.00 0.00 N ATOM 1941 CA LEU B 50 8.306 -5.853 2.160 1.00 0.00 C ATOM 1942 C LEU B 50 8.721 -5.488 3.579 1.00 0.00 C ATOM 1943 O LEU B 50 8.466 -4.368 4.047 1.00 0.00 O ATOM 1944 CB LEU B 50 9.164 -5.081 1.154 1.00 0.00 C ATOM 1945 CG LEU B 50 8.632 -5.058 -0.286 1.00 0.00 C ATOM 1946 CD1 LEU B 50 9.596 -4.320 -1.196 1.00 0.00 C ATOM 1947 CD2 LEU B 50 8.385 -6.463 -0.806 1.00 0.00 C ATOM 0 H LEU B 50 6.715 -4.676 1.482 1.00 0.00 H new ATOM 0 HA LEU B 50 8.461 -6.922 2.012 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.265 -4.053 1.502 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.164 -5.515 1.147 1.00 0.00 H new ATOM 0 HG LEU B 50 7.679 -4.530 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.204 -4.313 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU B 50 9.714 -3.295 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU B 50 10.564 -4.821 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU B 50 8.009 -6.412 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU B 50 9.318 -7.026 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.650 -6.961 -0.173 1.00 0.00 H new ATOM 1959 N GLU B 51 9.360 -6.424 4.259 1.00 0.00 N ATOM 1960 CA GLU B 51 9.804 -6.196 5.621 1.00 0.00 C ATOM 1961 C GLU B 51 11.286 -5.857 5.661 1.00 0.00 C ATOM 1962 O GLU B 51 11.951 -5.784 4.629 1.00 0.00 O ATOM 1963 CB GLU B 51 9.518 -7.405 6.515 1.00 0.00 C ATOM 1964 CG GLU B 51 8.041 -7.648 6.769 1.00 0.00 C ATOM 1965 CD GLU B 51 7.809 -8.543 7.968 1.00 0.00 C ATOM 1966 OE1 GLU B 51 7.978 -9.774 7.843 1.00 0.00 O ATOM 1967 OE2 GLU B 51 7.484 -8.012 9.052 1.00 0.00 O ATOM 0 H GLU B 51 9.582 -7.348 3.890 1.00 0.00 H new ATOM 0 HA GLU B 51 9.239 -5.347 6.006 1.00 0.00 H new ATOM 0 HB2 GLU B 51 9.948 -8.294 6.055 1.00 0.00 H new ATOM 0 HB3 GLU B 51 10.023 -7.265 7.471 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.539 -6.694 6.927 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.592 -8.102 5.886 1.00 0.00 H new ATOM 1974 N ASP B 52 11.789 -5.636 6.862 1.00 0.00 N ATOM 1975 CA ASP B 52 13.180 -5.268 7.059 1.00 0.00 C ATOM 1976 C ASP B 52 14.044 -6.517 7.103 1.00 0.00 C ATOM 1977 O ASP B 52 13.573 -7.587 7.489 1.00 0.00 O ATOM 1978 CB ASP B 52 13.337 -4.477 8.362 1.00 0.00 C ATOM 1979 CG ASP B 52 12.503 -3.210 8.381 1.00 0.00 C ATOM 1980 OD1 ASP B 52 11.257 -3.307 8.425 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.077 -2.108 8.326 1.00 0.00 O ATOM 0 H ASP B 52 11.249 -5.706 7.724 1.00 0.00 H new ATOM 0 HA ASP B 52 13.501 -4.642 6.226 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.050 -5.109 9.203 1.00 0.00 H new ATOM 0 HB3 ASP B 52 14.387 -4.218 8.501 1.00 0.00 H new ATOM 1986 N GLY B 53 15.296 -6.385 6.698 1.00 0.00 N ATOM 1987 CA GLY B 53 16.207 -7.512 6.729 1.00 0.00 C ATOM 1988 C GLY B 53 16.542 -8.028 5.346 1.00 0.00 C ATOM 1989 O GLY B 53 17.706 -8.287 5.040 1.00 0.00 O ATOM 0 H GLY B 53 15.700 -5.517 6.347 1.00 0.00 H new ATOM 0 HA2 GLY B 53 17.126 -7.218 7.235 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.764 -8.317 7.315 1.00 0.00 H new ATOM 1993 N ARG B 54 15.529 -8.170 4.506 1.00 0.00 N ATOM 1994 CA ARG B 54 15.723 -8.733 3.175 1.00 0.00 C ATOM 1995 C ARG B 54 16.211 -7.673 2.193 1.00 0.00 C ATOM 1996 O ARG B 54 16.204 -6.478 2.494 1.00 0.00 O ATOM 1997 CB ARG B 54 14.429 -9.362 2.661 1.00 0.00 C ATOM 1998 CG ARG B 54 13.908 -10.496 3.529 1.00 0.00 C ATOM 1999 CD ARG B 54 14.953 -11.585 3.711 1.00 0.00 C ATOM 2000 NE ARG B 54 14.407 -12.752 4.394 1.00 0.00 N ATOM 2001 CZ ARG B 54 15.049 -13.440 5.332 1.00 0.00 C ATOM 2002 NH1 ARG B 54 16.245 -13.058 5.757 1.00 0.00 N ATOM 2003 NH2 ARG B 54 14.480 -14.510 5.864 1.00 0.00 N ATOM 0 H ARG B 54 14.567 -7.905 4.719 1.00 0.00 H new ATOM 0 HA ARG B 54 16.486 -9.507 3.253 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.663 -8.589 2.592 1.00 0.00 H new ATOM 0 HB3 ARG B 54 14.595 -9.737 1.651 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.616 -10.105 4.503 1.00 0.00 H new ATOM 0 HG3 ARG B 54 13.013 -10.921 3.075 1.00 0.00 H new ATOM 0 HD2 ARG B 54 15.341 -11.883 2.737 1.00 0.00 H new ATOM 0 HD3 ARG B 54 15.794 -11.190 4.282 1.00 0.00 H new ATOM 0 HE ARG B 54 13.470 -13.061 4.134 1.00 0.00 H new ATOM 0 HH11 ARG B 54 16.684 -12.226 5.363 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.726 -13.596 6.478 1.00 0.00 H new ATOM 0 HH21 ARG B 54 13.553 -14.802 5.554 1.00 0.00 H new ATOM 0 HH22 ARG B 54 14.968 -15.042 6.584 1.00 0.00 H new ATOM 2017 N THR B 55 16.632 -8.125 1.019 1.00 0.00 N ATOM 2018 CA THR B 55 17.141 -7.236 -0.012 1.00 0.00 C ATOM 2019 C THR B 55 16.156 -7.125 -1.171 1.00 0.00 C ATOM 2020 O THR B 55 15.091 -7.750 -1.156 1.00 0.00 O ATOM 2021 CB THR B 55 18.494 -7.737 -0.559 1.00 0.00 C ATOM 2022 OG1 THR B 55 18.331 -9.025 -1.172 1.00 0.00 O ATOM 2023 CG2 THR B 55 19.530 -7.828 0.549 1.00 0.00 C ATOM 0 H THR B 55 16.630 -9.111 0.758 1.00 0.00 H new ATOM 0 HA THR B 55 17.276 -6.257 0.447 1.00 0.00 H new ATOM 0 HB THR B 55 18.844 -7.021 -1.303 1.00 0.00 H new ATOM 0 HG1 THR B 55 18.014 -9.668 -0.503 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.474 -8.184 0.136 1.00 0.00 H new ATOM 0 HG22 THR B 55 19.676 -6.843 0.992 1.00 0.00 H new ATOM 0 HG23 THR B 55 19.184 -8.523 1.314 1.00 0.00 H new ATOM 2031 N LEU B 56 16.521 -6.340 -2.176 1.00 0.00 N ATOM 2032 CA LEU B 56 15.713 -6.210 -3.384 1.00 0.00 C ATOM 2033 C LEU B 56 15.672 -7.529 -4.144 1.00 0.00 C ATOM 2034 O LEU B 56 14.672 -7.859 -4.781 1.00 0.00 O ATOM 2035 CB LEU B 56 16.259 -5.106 -4.299 1.00 0.00 C ATOM 2036 CG LEU B 56 15.895 -3.666 -3.912 1.00 0.00 C ATOM 2037 CD1 LEU B 56 16.490 -3.284 -2.566 1.00 0.00 C ATOM 2038 CD2 LEU B 56 16.366 -2.698 -4.984 1.00 0.00 C ATOM 0 H LEU B 56 17.374 -5.781 -2.179 1.00 0.00 H new ATOM 0 HA LEU B 56 14.702 -5.940 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 56 17.345 -5.190 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.899 -5.290 -5.311 1.00 0.00 H new ATOM 0 HG LEU B 56 14.810 -3.608 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.212 -2.258 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.109 -3.955 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU B 56 17.576 -3.365 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.101 -1.680 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.448 -2.775 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU B 56 15.887 -2.944 -5.932 1.00 0.00 H new ATOM 2050 N SER B 57 16.762 -8.281 -4.063 1.00 0.00 N ATOM 2051 CA SER B 57 16.886 -9.543 -4.742 1.00 0.00 C ATOM 2052 C SER B 57 15.907 -10.577 -4.189 1.00 0.00 C ATOM 2053 O SER B 57 15.330 -11.358 -4.941 1.00 0.00 O ATOM 2054 CB SER B 57 18.315 -10.029 -4.574 1.00 0.00 C ATOM 2055 OG SER B 57 19.242 -9.059 -5.036 1.00 0.00 O ATOM 0 H SER B 57 17.584 -8.022 -3.518 1.00 0.00 H new ATOM 0 HA SER B 57 16.647 -9.409 -5.797 1.00 0.00 H new ATOM 0 HB2 SER B 57 18.507 -10.248 -3.524 1.00 0.00 H new ATOM 0 HB3 SER B 57 18.453 -10.960 -5.124 1.00 0.00 H new ATOM 0 HG SER B 57 19.392 -8.390 -4.336 1.00 0.00 H new ATOM 2061 N ASP B 58 15.710 -10.563 -2.875 1.00 0.00 N ATOM 2062 CA ASP B 58 14.834 -11.535 -2.226 1.00 0.00 C ATOM 2063 C ASP B 58 13.395 -11.361 -2.692 1.00 0.00 C ATOM 2064 O ASP B 58 12.659 -12.337 -2.849 1.00 0.00 O ATOM 2065 CB ASP B 58 14.894 -11.400 -0.702 1.00 0.00 C ATOM 2066 CG ASP B 58 16.270 -11.681 -0.133 1.00 0.00 C ATOM 2067 OD1 ASP B 58 16.695 -12.856 -0.137 1.00 0.00 O ATOM 2068 OD2 ASP B 58 16.929 -10.724 0.326 1.00 0.00 O ATOM 0 H ASP B 58 16.143 -9.893 -2.240 1.00 0.00 H new ATOM 0 HA ASP B 58 15.184 -12.528 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP B 58 14.590 -10.392 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP B 58 14.175 -12.086 -0.254 1.00 0.00 H new ATOM 2073 N TYR B 59 13.000 -10.117 -2.919 1.00 0.00 N ATOM 2074 CA TYR B 59 11.637 -9.816 -3.336 1.00 0.00 C ATOM 2075 C TYR B 59 11.533 -9.710 -4.856 1.00 0.00 C ATOM 2076 O TYR B 59 10.451 -9.477 -5.392 1.00 0.00 O ATOM 2077 CB TYR B 59 11.152 -8.518 -2.688 1.00 0.00 C ATOM 2078 CG TYR B 59 11.045 -8.583 -1.177 1.00 0.00 C ATOM 2079 CD1 TYR B 59 10.136 -9.437 -0.556 1.00 0.00 C ATOM 2080 CD2 TYR B 59 11.832 -7.770 -0.371 1.00 0.00 C ATOM 2081 CE1 TYR B 59 10.024 -9.482 0.823 1.00 0.00 C ATOM 2082 CE2 TYR B 59 11.720 -7.807 1.006 1.00 0.00 C ATOM 2083 CZ TYR B 59 10.816 -8.661 1.598 1.00 0.00 C ATOM 2084 OH TYR B 59 10.697 -8.683 2.971 1.00 0.00 O ATOM 0 H TYR B 59 13.603 -9.300 -2.822 1.00 0.00 H new ATOM 0 HA TYR B 59 11.001 -10.638 -3.006 1.00 0.00 H new ATOM 0 HB2 TYR B 59 11.834 -7.712 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR B 59 10.176 -8.261 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR B 59 9.508 -10.075 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR B 59 12.543 -7.098 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR B 59 9.321 -10.156 1.289 1.00 0.00 H new ATOM 0 HE2 TYR B 59 12.340 -7.168 1.617 1.00 0.00 H new ATOM 0 HH TYR B 59 11.328 -8.045 3.364 1.00 0.00 H new ATOM 2094 N ASN B 60 12.666 -9.885 -5.536 1.00 0.00 N ATOM 2095 CA ASN B 60 12.727 -9.831 -7.000 1.00 0.00 C ATOM 2096 C ASN B 60 12.306 -8.464 -7.538 1.00 0.00 C ATOM 2097 O ASN B 60 11.621 -8.370 -8.558 1.00 0.00 O ATOM 2098 CB ASN B 60 11.867 -10.934 -7.629 1.00 0.00 C ATOM 2099 CG ASN B 60 12.498 -12.310 -7.514 1.00 0.00 C ATOM 2100 OD1 ASN B 60 13.820 -12.367 -7.554 1.00 0.00 O flip ATOM 2101 ND2 ASN B 60 11.800 -13.319 -7.402 1.00 0.00 N flip ATOM 0 H ASN B 60 13.566 -10.068 -5.091 1.00 0.00 H new ATOM 0 HA ASN B 60 13.768 -9.995 -7.280 1.00 0.00 H new ATOM 0 HB2 ASN B 60 10.890 -10.946 -7.146 1.00 0.00 H new ATOM 0 HB3 ASN B 60 11.700 -10.703 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN B 60 10.784 -13.236 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN B 60 12.238 -14.238 -7.337 1.00 0.00 H new ATOM 2108 N ILE B 61 12.745 -7.407 -6.866 1.00 0.00 N ATOM 2109 CA ILE B 61 12.451 -6.052 -7.307 1.00 0.00 C ATOM 2110 C ILE B 61 13.252 -5.730 -8.567 1.00 0.00 C ATOM 2111 O ILE B 61 14.483 -5.742 -8.555 1.00 0.00 O ATOM 2112 CB ILE B 61 12.749 -5.019 -6.198 1.00 0.00 C ATOM 2113 CG1 ILE B 61 11.878 -5.311 -4.972 1.00 0.00 C ATOM 2114 CG2 ILE B 61 12.503 -3.603 -6.706 1.00 0.00 C ATOM 2115 CD1 ILE B 61 12.162 -4.415 -3.786 1.00 0.00 C ATOM 0 H ILE B 61 13.305 -7.463 -6.015 1.00 0.00 H new ATOM 0 HA ILE B 61 11.387 -5.992 -7.534 1.00 0.00 H new ATOM 0 HB ILE B 61 13.798 -5.098 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE B 61 10.830 -5.205 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.026 -6.349 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE B 61 12.718 -2.889 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.153 -3.404 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE B 61 11.462 -3.502 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE B 61 11.504 -4.686 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.200 -4.537 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE B 61 11.986 -3.376 -4.065 1.00 0.00 H new ATOM 2127 N GLN B 62 12.538 -5.462 -9.650 1.00 0.00 N ATOM 2128 CA GLN B 62 13.147 -5.292 -10.964 1.00 0.00 C ATOM 2129 C GLN B 62 13.670 -3.873 -11.174 1.00 0.00 C ATOM 2130 O GLN B 62 13.430 -2.977 -10.361 1.00 0.00 O ATOM 2131 CB GLN B 62 12.121 -5.630 -12.043 1.00 0.00 C ATOM 2132 CG GLN B 62 11.609 -7.058 -11.966 1.00 0.00 C ATOM 2133 CD GLN B 62 10.402 -7.304 -12.852 1.00 0.00 C ATOM 2134 OE1 GLN B 62 9.589 -6.408 -13.082 1.00 0.00 O ATOM 2135 NE2 GLN B 62 10.284 -8.520 -13.362 1.00 0.00 N ATOM 0 H GLN B 62 11.524 -5.356 -9.645 1.00 0.00 H new ATOM 0 HA GLN B 62 14.000 -5.967 -11.029 1.00 0.00 H new ATOM 0 HB2 GLN B 62 11.277 -4.945 -11.958 1.00 0.00 H new ATOM 0 HB3 GLN B 62 12.568 -5.465 -13.023 1.00 0.00 H new ATOM 0 HG2 GLN B 62 12.409 -7.741 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN B 62 11.348 -7.289 -10.933 1.00 0.00 H new ATOM 0 HE21 GLN B 62 10.980 -9.233 -13.146 1.00 0.00 H new ATOM 0 HE22 GLN B 62 9.497 -8.743 -13.971 1.00 0.00 H new ATOM 2144 N LYS B 63 14.385 -3.683 -12.282 1.00 0.00 N ATOM 2145 CA LYS B 63 14.909 -2.376 -12.662 1.00 0.00 C ATOM 2146 C LYS B 63 13.778 -1.376 -12.843 1.00 0.00 C ATOM 2147 O LYS B 63 12.761 -1.699 -13.461 1.00 0.00 O ATOM 2148 CB LYS B 63 15.693 -2.475 -13.977 1.00 0.00 C ATOM 2149 CG LYS B 63 16.970 -3.294 -13.891 1.00 0.00 C ATOM 2150 CD LYS B 63 18.057 -2.559 -13.123 1.00 0.00 C ATOM 2151 CE LYS B 63 18.449 -1.250 -13.798 1.00 0.00 C ATOM 2152 NZ LYS B 63 19.089 -1.464 -15.123 1.00 0.00 N ATOM 0 H LYS B 63 14.616 -4.429 -12.938 1.00 0.00 H new ATOM 0 HA LYS B 63 15.570 -2.038 -11.864 1.00 0.00 H new ATOM 0 HB2 LYS B 63 15.047 -2.912 -14.738 1.00 0.00 H new ATOM 0 HB3 LYS B 63 15.944 -1.469 -14.312 1.00 0.00 H new ATOM 0 HG2 LYS B 63 16.760 -4.246 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS B 63 17.325 -3.522 -14.896 1.00 0.00 H new ATOM 0 HD2 LYS B 63 17.710 -2.355 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS B 63 18.935 -3.199 -13.036 1.00 0.00 H new ATOM 0 HE2 LYS B 63 17.562 -0.629 -13.922 1.00 0.00 H new ATOM 0 HE3 LYS B 63 19.134 -0.702 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 19.443 -0.557 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 19.881 -2.130 -15.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 18.390 -1.855 -15.787 1.00 0.00 H new ATOM 2166 N GLU B 64 13.955 -0.177 -12.286 1.00 0.00 N ATOM 2167 CA GLU B 64 13.024 0.932 -12.503 1.00 0.00 C ATOM 2168 C GLU B 64 11.622 0.589 -12.003 1.00 0.00 C ATOM 2169 O GLU B 64 10.628 1.138 -12.477 1.00 0.00 O ATOM 2170 CB GLU B 64 12.989 1.298 -13.988 1.00 0.00 C ATOM 2171 CG GLU B 64 14.368 1.548 -14.580 1.00 0.00 C ATOM 2172 CD GLU B 64 14.314 1.932 -16.040 1.00 0.00 C ATOM 2173 OE1 GLU B 64 14.170 3.134 -16.337 1.00 0.00 O ATOM 2174 OE2 GLU B 64 14.420 1.034 -16.902 1.00 0.00 O ATOM 0 H GLU B 64 14.740 0.052 -11.677 1.00 0.00 H new ATOM 0 HA GLU B 64 13.376 1.790 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU B 64 12.504 0.494 -14.542 1.00 0.00 H new ATOM 0 HB3 GLU B 64 12.377 2.190 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU B 64 14.862 2.341 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU B 64 14.976 0.650 -14.467 1.00 0.00 H new ATOM 2181 N SER B 65 11.554 -0.306 -11.027 1.00 0.00 N ATOM 2182 CA SER B 65 10.279 -0.723 -10.469 1.00 0.00 C ATOM 2183 C SER B 65 9.681 0.400 -9.629 1.00 0.00 C ATOM 2184 O SER B 65 10.396 1.290 -9.166 1.00 0.00 O ATOM 2185 CB SER B 65 10.461 -1.976 -9.612 1.00 0.00 C ATOM 2186 OG SER B 65 9.211 -2.521 -9.231 1.00 0.00 O ATOM 0 H SER B 65 12.367 -0.756 -10.607 1.00 0.00 H new ATOM 0 HA SER B 65 9.598 -0.953 -11.289 1.00 0.00 H new ATOM 0 HB2 SER B 65 11.031 -2.720 -10.168 1.00 0.00 H new ATOM 0 HB3 SER B 65 11.040 -1.730 -8.722 1.00 0.00 H new ATOM 0 HG SER B 65 9.199 -2.667 -8.262 1.00 0.00 H new ATOM 2192 N THR B 66 8.377 0.353 -9.435 1.00 0.00 N ATOM 2193 CA THR B 66 7.685 1.367 -8.662 1.00 0.00 C ATOM 2194 C THR B 66 7.141 0.771 -7.370 1.00 0.00 C ATOM 2195 O THR B 66 6.154 0.033 -7.374 1.00 0.00 O ATOM 2196 CB THR B 66 6.540 2.006 -9.470 1.00 0.00 C ATOM 2197 OG1 THR B 66 7.046 2.467 -10.729 1.00 0.00 O ATOM 2198 CG2 THR B 66 5.914 3.172 -8.709 1.00 0.00 C ATOM 0 H THR B 66 7.772 -0.381 -9.804 1.00 0.00 H new ATOM 0 HA THR B 66 8.406 2.148 -8.420 1.00 0.00 H new ATOM 0 HB THR B 66 5.769 1.253 -9.632 1.00 0.00 H new ATOM 0 HG1 THR B 66 6.318 2.872 -11.245 1.00 0.00 H new ATOM 0 HG21 THR B 66 5.109 3.604 -9.303 1.00 0.00 H new ATOM 0 HG22 THR B 66 5.513 2.814 -7.760 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.672 3.932 -8.519 1.00 0.00 H new ATOM 2206 N LEU B 67 7.811 1.082 -6.273 1.00 0.00 N ATOM 2207 CA LEU B 67 7.412 0.602 -4.961 1.00 0.00 C ATOM 2208 C LEU B 67 6.380 1.545 -4.372 1.00 0.00 C ATOM 2209 O LEU B 67 6.433 2.749 -4.609 1.00 0.00 O ATOM 2210 CB LEU B 67 8.623 0.500 -4.016 1.00 0.00 C ATOM 2211 CG LEU B 67 9.660 -0.585 -4.350 1.00 0.00 C ATOM 2212 CD1 LEU B 67 8.986 -1.938 -4.520 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.464 -0.223 -5.593 1.00 0.00 C ATOM 0 H LEU B 67 8.643 1.672 -6.267 1.00 0.00 H new ATOM 0 HA LEU B 67 6.984 -0.394 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.130 1.465 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.254 0.321 -3.006 1.00 0.00 H new ATOM 0 HG LEU B 67 10.355 -0.648 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU B 67 9.737 -2.692 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU B 67 8.477 -2.210 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU B 67 8.260 -1.883 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU B 67 11.188 -1.011 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU B 67 9.791 -0.115 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU B 67 10.990 0.717 -5.425 1.00 0.00 H new ATOM 2225 N HIS B 68 5.432 1.003 -3.631 1.00 0.00 N ATOM 2226 CA HIS B 68 4.415 1.821 -2.986 1.00 0.00 C ATOM 2227 C HIS B 68 4.682 1.882 -1.488 1.00 0.00 C ATOM 2228 O HIS B 68 4.629 0.863 -0.803 1.00 0.00 O ATOM 2229 CB HIS B 68 3.012 1.269 -3.271 1.00 0.00 C ATOM 2230 CG HIS B 68 2.655 1.266 -4.729 1.00 0.00 C ATOM 2231 ND1 HIS B 68 1.750 2.139 -5.288 1.00 0.00 N ATOM 2232 CD2 HIS B 68 3.101 0.492 -5.747 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.655 1.904 -6.583 1.00 0.00 C ATOM 2234 NE2 HIS B 68 2.465 0.909 -6.888 1.00 0.00 N ATOM 0 H HIS B 68 5.342 0.002 -3.459 1.00 0.00 H new ATOM 0 HA HIS B 68 4.461 2.831 -3.393 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.946 0.251 -2.887 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.279 1.864 -2.727 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.233 2.857 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.824 -0.307 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.021 2.437 -7.276 1.00 0.00 H new ATOM 2243 N LEU B 69 4.997 3.071 -0.993 1.00 0.00 N ATOM 2244 CA LEU B 69 5.365 3.246 0.406 1.00 0.00 C ATOM 2245 C LEU B 69 4.146 3.592 1.256 1.00 0.00 C ATOM 2246 O LEU B 69 3.550 4.658 1.099 1.00 0.00 O ATOM 2247 CB LEU B 69 6.425 4.344 0.534 1.00 0.00 C ATOM 2248 CG LEU B 69 6.886 4.651 1.962 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.561 3.439 2.580 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.823 5.849 1.973 1.00 0.00 C ATOM 0 H LEU B 69 5.005 3.931 -1.541 1.00 0.00 H new ATOM 0 HA LEU B 69 5.776 2.305 0.771 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.295 4.056 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.030 5.259 0.093 1.00 0.00 H new ATOM 0 HG LEU B 69 6.008 4.895 2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.881 3.678 3.594 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.858 2.606 2.608 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.429 3.161 1.982 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.141 6.053 2.996 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.697 5.633 1.358 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.304 6.720 1.574 1.00 0.00 H new ATOM 2262 N VAL B 70 3.786 2.686 2.149 1.00 0.00 N ATOM 2263 CA VAL B 70 2.652 2.884 3.037 1.00 0.00 C ATOM 2264 C VAL B 70 3.135 2.935 4.484 1.00 0.00 C ATOM 2265 O VAL B 70 3.899 2.077 4.926 1.00 0.00 O ATOM 2266 CB VAL B 70 1.609 1.758 2.864 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.394 2.007 3.742 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.197 1.631 1.403 1.00 0.00 C ATOM 0 H VAL B 70 4.268 1.797 2.279 1.00 0.00 H new ATOM 0 HA VAL B 70 2.173 3.829 2.781 1.00 0.00 H new ATOM 0 HB VAL B 70 2.067 0.819 3.176 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.327 1.201 3.603 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.702 2.043 4.787 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.066 2.956 3.466 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.462 0.833 1.300 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.762 2.571 1.065 1.00 0.00 H new ATOM 0 HG23 VAL B 70 2.073 1.398 0.797 1.00 0.00 H new ATOM 2278 N LEU B 71 2.707 3.960 5.206 1.00 0.00 N ATOM 2279 CA LEU B 71 3.133 4.159 6.585 1.00 0.00 C ATOM 2280 C LEU B 71 2.265 3.357 7.546 1.00 0.00 C ATOM 2281 O LEU B 71 1.075 3.190 7.318 1.00 0.00 O ATOM 2282 CB LEU B 71 3.086 5.642 6.957 1.00 0.00 C ATOM 2283 CG LEU B 71 4.108 6.533 6.244 1.00 0.00 C ATOM 2284 CD1 LEU B 71 3.669 6.846 4.819 1.00 0.00 C ATOM 2285 CD2 LEU B 71 4.325 7.811 7.033 1.00 0.00 C ATOM 0 H LEU B 71 2.062 4.670 4.859 1.00 0.00 H new ATOM 0 HA LEU B 71 4.161 3.806 6.668 1.00 0.00 H new ATOM 0 HB2 LEU B 71 2.087 6.021 6.742 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.237 5.734 8.033 1.00 0.00 H new ATOM 0 HG LEU B 71 5.052 5.991 6.186 1.00 0.00 H new ATOM 0 HD11 LEU B 71 4.415 7.480 4.339 1.00 0.00 H new ATOM 0 HD12 LEU B 71 3.567 5.917 4.257 1.00 0.00 H new ATOM 0 HD13 LEU B 71 2.711 7.365 4.839 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.053 8.437 6.518 1.00 0.00 H new ATOM 0 HD22 LEU B 71 3.381 8.349 7.121 1.00 0.00 H new ATOM 0 HD23 LEU B 71 4.697 7.566 8.028 1.00 0.00 H new ATOM 2297 N ARG B 72 2.872 2.860 8.616 1.00 0.00 N ATOM 2298 CA ARG B 72 2.146 2.095 9.630 1.00 0.00 C ATOM 2299 C ARG B 72 1.395 3.017 10.589 1.00 0.00 C ATOM 2300 O ARG B 72 0.627 2.551 11.428 1.00 0.00 O ATOM 2301 CB ARG B 72 3.108 1.209 10.429 1.00 0.00 C ATOM 2302 CG ARG B 72 3.817 0.159 9.591 1.00 0.00 C ATOM 2303 CD ARG B 72 2.838 -0.828 8.971 1.00 0.00 C ATOM 2304 NE ARG B 72 2.190 -1.673 9.971 1.00 0.00 N ATOM 2305 CZ ARG B 72 1.321 -2.637 9.675 1.00 0.00 C ATOM 2306 NH1 ARG B 72 0.969 -2.846 8.412 1.00 0.00 N ATOM 2307 NH2 ARG B 72 0.808 -3.392 10.640 1.00 0.00 N ATOM 0 H ARG B 72 3.868 2.972 8.807 1.00 0.00 H new ATOM 0 HA ARG B 72 1.423 1.468 9.108 1.00 0.00 H new ATOM 0 HB2 ARG B 72 3.855 1.841 10.909 1.00 0.00 H new ATOM 0 HB3 ARG B 72 2.553 0.711 11.224 1.00 0.00 H new ATOM 0 HG2 ARG B 72 4.387 0.649 8.802 1.00 0.00 H new ATOM 0 HG3 ARG B 72 4.531 -0.380 10.213 1.00 0.00 H new ATOM 0 HD2 ARG B 72 2.078 -0.280 8.415 1.00 0.00 H new ATOM 0 HD3 ARG B 72 3.366 -1.457 8.254 1.00 0.00 H new ATOM 0 HE ARG B 72 2.417 -1.515 10.953 1.00 0.00 H new ATOM 0 HH11 ARG B 72 1.364 -2.268 7.670 1.00 0.00 H new ATOM 0 HH12 ARG B 72 0.303 -3.584 8.184 1.00 0.00 H new ATOM 0 HH21 ARG B 72 1.080 -3.234 11.610 1.00 0.00 H new ATOM 0 HH22 ARG B 72 0.142 -4.130 10.411 1.00 0.00 H new ATOM 2321 N LEU B 73 1.660 4.320 10.482 1.00 0.00 N ATOM 2322 CA LEU B 73 1.002 5.345 11.306 1.00 0.00 C ATOM 2323 C LEU B 73 1.377 5.237 12.784 1.00 0.00 C ATOM 2324 O LEU B 73 0.864 5.995 13.609 1.00 0.00 O ATOM 2325 CB LEU B 73 -0.519 5.284 11.143 1.00 0.00 C ATOM 2326 CG LEU B 73 -1.039 5.670 9.759 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -2.554 5.551 9.704 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -0.603 7.084 9.404 1.00 0.00 C ATOM 0 H LEU B 73 2.338 4.699 9.821 1.00 0.00 H new ATOM 0 HA LEU B 73 1.361 6.310 10.948 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -0.853 4.271 11.370 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -0.975 5.943 11.882 1.00 0.00 H new ATOM 0 HG LEU B 73 -0.614 4.982 9.028 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.905 5.830 8.711 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -2.846 4.523 9.916 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.998 6.215 10.446 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -0.981 7.344 8.415 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.001 7.783 10.140 1.00 0.00 H new ATOM 0 HD23 LEU B 73 0.486 7.139 9.402 1.00 0.00 H new