USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl 166:sc= -0.623 (180deg=-1.32) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= -0.187 F(o=-5.3!,f=-0.81) USER MOD Set 2.1: A 72 SER OG : rot -57:sc= 0.895 USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.291 F(o=-2.8!,f=0.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 0:sc= 1.16 USER MOD Single : A 22 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.6) USER MOD Single : A 25 TYR OH : rot -41:sc= 1.05 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : A 31 GLN : amide:sc= 0.00824 X(o=0.0082,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -28:sc= 0.839 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 29:sc= -2.3 USER MOD Single : A 64 TYR OH : rot 23:sc= 0.575 USER MOD Single : A 65 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.13) USER MOD Single : A 67 GLN :FLIP amide:sc= -7.05! C(o=-7.8!,f=-7!) USER MOD Single : A 69 THR OG1 : rot -171:sc= -0.496 USER MOD Single : A 78 ASN : amide:sc= -0.829 X(o=-0.83,f=-1.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.63 K(o=-2.6,f=-4.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 -4.416 9.288 -0.158 1.00 0.00 N ATOM 90 CA SER A 14 -4.156 10.716 -0.225 1.00 0.00 C ATOM 91 C SER A 14 -5.332 11.431 -0.893 1.00 0.00 C ATOM 92 O SER A 14 -5.730 12.513 -0.464 1.00 0.00 O ATOM 93 CB SER A 14 -2.859 11.005 -0.982 1.00 0.00 C ATOM 94 OG SER A 14 -1.754 11.184 -0.100 1.00 0.00 O ATOM 0 HA SER A 14 -4.042 11.091 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.648 10.183 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.986 11.901 -1.590 1.00 0.00 H new ATOM 0 HG SER A 14 -0.945 11.365 -0.622 1.00 0.00 H new ATOM 100 N LEU A 15 -5.855 10.797 -1.933 1.00 0.00 N ATOM 101 CA LEU A 15 -6.977 11.360 -2.665 1.00 0.00 C ATOM 102 C LEU A 15 -8.242 11.253 -1.811 1.00 0.00 C ATOM 103 O LEU A 15 -9.260 11.868 -2.124 1.00 0.00 O ATOM 104 CB LEU A 15 -7.106 10.699 -4.039 1.00 0.00 C ATOM 105 CG LEU A 15 -5.925 10.898 -4.992 1.00 0.00 C ATOM 106 CD1 LEU A 15 -6.360 10.721 -6.448 1.00 0.00 C ATOM 107 CD2 LEU A 15 -5.251 12.251 -4.755 1.00 0.00 C ATOM 0 H LEU A 15 -5.523 9.900 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.811 12.419 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.253 9.629 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.005 11.082 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.183 10.128 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.502 10.868 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.758 9.716 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.131 11.453 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.415 12.367 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.972 13.051 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.884 12.300 -3.730 1.00 0.00 H new ATOM 119 N ARG A 16 -8.136 10.469 -0.748 1.00 0.00 N ATOM 120 CA ARG A 16 -9.259 10.275 0.154 1.00 0.00 C ATOM 121 C ARG A 16 -8.936 10.848 1.535 1.00 0.00 C ATOM 122 O ARG A 16 -9.032 10.146 2.540 1.00 0.00 O ATOM 123 CB ARG A 16 -9.603 8.790 0.293 1.00 0.00 C ATOM 124 CG ARG A 16 -10.012 8.194 -1.056 1.00 0.00 C ATOM 125 CD ARG A 16 -10.174 6.676 -0.957 1.00 0.00 C ATOM 126 NE ARG A 16 -11.027 6.332 0.203 1.00 0.00 N ATOM 127 CZ ARG A 16 -11.223 5.083 0.647 1.00 0.00 C ATOM 128 NH1 ARG A 16 -10.629 4.052 0.031 1.00 0.00 N ATOM 129 NH2 ARG A 16 -12.014 4.865 1.706 1.00 0.00 N ATOM 0 H ARG A 16 -7.290 9.961 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.117 10.798 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.743 8.249 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.414 8.666 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.949 8.643 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.260 8.435 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.619 6.289 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.197 6.204 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.495 7.093 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.028 4.218 -0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.778 3.101 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.467 5.650 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.163 3.914 2.044 1.00 0.00 H new ATOM 143 N SER A 17 -8.558 12.118 1.540 1.00 0.00 N ATOM 144 CA SER A 17 -8.220 12.793 2.781 1.00 0.00 C ATOM 145 C SER A 17 -8.202 14.308 2.565 1.00 0.00 C ATOM 146 O SER A 17 -7.519 14.802 1.670 1.00 0.00 O ATOM 147 CB SER A 17 -6.868 12.317 3.317 1.00 0.00 C ATOM 148 OG SER A 17 -6.939 10.996 3.847 1.00 0.00 O ATOM 0 H SER A 17 -8.478 12.697 0.704 1.00 0.00 H new ATOM 0 HA SER A 17 -8.981 12.547 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.129 12.347 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.524 13.001 4.093 1.00 0.00 H new ATOM 0 HG SER A 17 -7.853 10.655 3.755 1.00 0.00 H new ATOM 154 N VAL A 18 -8.962 15.002 3.400 1.00 0.00 N ATOM 155 CA VAL A 18 -9.042 16.450 3.311 1.00 0.00 C ATOM 156 C VAL A 18 -8.655 17.061 4.659 1.00 0.00 C ATOM 157 O VAL A 18 -9.231 16.715 5.690 1.00 0.00 O ATOM 158 CB VAL A 18 -10.437 16.869 2.842 1.00 0.00 C ATOM 159 CG1 VAL A 18 -10.456 17.117 1.332 1.00 0.00 C ATOM 160 CG2 VAL A 18 -11.485 15.828 3.240 1.00 0.00 C ATOM 0 H VAL A 18 -9.528 14.588 4.141 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.338 16.827 2.569 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.690 17.806 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.459 17.413 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.751 17.911 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.172 16.204 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.467 16.150 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.237 14.869 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.499 15.722 4.325 1.00 0.00 H new ATOM 170 N PHE A 19 -7.684 17.960 4.608 1.00 0.00 N ATOM 171 CA PHE A 19 -7.213 18.623 5.813 1.00 0.00 C ATOM 172 C PHE A 19 -8.178 19.730 6.241 1.00 0.00 C ATOM 173 O PHE A 19 -8.550 20.581 5.435 1.00 0.00 O ATOM 174 CB PHE A 19 -5.856 19.246 5.480 1.00 0.00 C ATOM 175 CG PHE A 19 -5.185 19.944 6.664 1.00 0.00 C ATOM 176 CD1 PHE A 19 -4.919 19.249 7.802 1.00 0.00 C ATOM 177 CD2 PHE A 19 -4.853 21.261 6.578 1.00 0.00 C ATOM 178 CE1 PHE A 19 -4.295 19.897 8.901 1.00 0.00 C ATOM 179 CE2 PHE A 19 -4.230 21.909 7.677 1.00 0.00 C ATOM 180 CZ PHE A 19 -3.964 21.213 8.815 1.00 0.00 C ATOM 0 H PHE A 19 -7.210 18.245 3.751 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.141 17.904 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.192 18.467 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.987 19.967 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.182 18.204 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.063 21.813 5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.083 19.345 9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.967 22.954 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.490 21.706 9.651 1.00 0.00 H new ATOM 190 N VAL A 20 -8.556 19.683 7.510 1.00 0.00 N ATOM 191 CA VAL A 20 -9.471 20.672 8.056 1.00 0.00 C ATOM 192 C VAL A 20 -8.779 21.427 9.193 1.00 0.00 C ATOM 193 O VAL A 20 -8.164 20.816 10.065 1.00 0.00 O ATOM 194 CB VAL A 20 -10.772 19.996 8.492 1.00 0.00 C ATOM 195 CG1 VAL A 20 -11.925 21.001 8.531 1.00 0.00 C ATOM 196 CG2 VAL A 20 -11.107 18.813 7.582 1.00 0.00 C ATOM 0 H VAL A 20 -8.245 18.976 8.176 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.740 21.405 7.296 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.628 19.611 9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.838 20.495 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.690 21.797 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.069 21.428 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.036 18.350 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.223 19.164 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.301 18.080 7.626 1.00 0.00 H new ATOM 206 N GLY A 21 -8.903 22.745 9.146 1.00 0.00 N ATOM 207 CA GLY A 21 -8.298 23.590 10.161 1.00 0.00 C ATOM 208 C GLY A 21 -9.223 24.752 10.531 1.00 0.00 C ATOM 209 O GLY A 21 -10.345 24.838 10.035 1.00 0.00 O ATOM 0 H GLY A 21 -9.414 23.249 8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.080 22.997 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.348 23.979 9.796 1.00 0.00 H new ATOM 213 N ASN A 22 -8.717 25.616 11.399 1.00 0.00 N ATOM 214 CA ASN A 22 -9.484 26.769 11.840 1.00 0.00 C ATOM 215 C ASN A 22 -10.787 26.292 12.486 1.00 0.00 C ATOM 216 O ASN A 22 -11.796 26.994 12.449 1.00 0.00 O ATOM 217 CB ASN A 22 -9.845 27.674 10.661 1.00 0.00 C ATOM 218 CG ASN A 22 -10.124 29.103 11.133 1.00 0.00 C ATOM 219 OD1 ASN A 22 -10.088 29.413 12.313 1.00 0.00 O ATOM 220 ND2 ASN A 22 -10.405 29.952 10.149 1.00 0.00 N ATOM 0 H ASN A 22 -7.786 25.541 11.809 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.875 27.328 12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.029 27.679 9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.722 27.278 10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.607 30.929 10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.418 29.626 9.183 1.00 0.00 H new ATOM 227 N ILE A 23 -10.722 25.102 13.065 1.00 0.00 N ATOM 228 CA ILE A 23 -11.884 24.523 13.718 1.00 0.00 C ATOM 229 C ILE A 23 -11.782 24.754 15.227 1.00 0.00 C ATOM 230 O ILE A 23 -10.843 24.286 15.869 1.00 0.00 O ATOM 231 CB ILE A 23 -12.039 23.051 13.330 1.00 0.00 C ATOM 232 CG1 ILE A 23 -11.503 22.796 11.920 1.00 0.00 C ATOM 233 CG2 ILE A 23 -13.491 22.594 13.483 1.00 0.00 C ATOM 234 CD1 ILE A 23 -11.501 21.301 11.596 1.00 0.00 C ATOM 0 H ILE A 23 -9.883 24.523 13.096 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.796 25.015 13.380 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.439 22.452 14.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.116 23.329 11.192 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.491 23.192 11.835 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.574 21.544 13.201 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.804 22.717 14.520 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.131 23.195 12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.115 21.148 10.588 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.868 20.775 12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.518 20.914 11.658 1.00 0.00 H new ATOM 246 N PRO A 24 -12.789 25.494 15.764 1.00 0.00 N ATOM 247 CA PRO A 24 -12.822 25.793 17.186 1.00 0.00 C ATOM 248 C PRO A 24 -13.247 24.566 17.994 1.00 0.00 C ATOM 249 O PRO A 24 -13.617 23.540 17.424 1.00 0.00 O ATOM 250 CB PRO A 24 -13.789 26.957 17.321 1.00 0.00 C ATOM 251 CG PRO A 24 -14.613 26.966 16.043 1.00 0.00 C ATOM 252 CD PRO A 24 -13.918 26.065 15.035 1.00 0.00 C ATOM 0 HA PRO A 24 -11.842 26.059 17.583 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.427 26.835 18.196 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.253 27.898 17.446 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.625 26.611 16.239 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.701 27.980 15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.589 25.287 14.671 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.583 26.629 14.165 1.00 0.00 H new ATOM 260 N TYR A 25 -13.179 24.711 19.309 1.00 0.00 N ATOM 261 CA TYR A 25 -13.553 23.626 20.202 1.00 0.00 C ATOM 262 C TYR A 25 -15.071 23.444 20.237 1.00 0.00 C ATOM 263 O TYR A 25 -15.577 22.547 20.911 1.00 0.00 O ATOM 264 CB TYR A 25 -13.068 24.040 21.593 1.00 0.00 C ATOM 265 CG TYR A 25 -11.586 23.755 21.846 1.00 0.00 C ATOM 266 CD1 TYR A 25 -10.680 23.842 20.809 1.00 0.00 C ATOM 267 CD2 TYR A 25 -11.156 23.409 23.111 1.00 0.00 C ATOM 268 CE1 TYR A 25 -9.285 23.574 21.047 1.00 0.00 C ATOM 269 CE2 TYR A 25 -9.762 23.141 23.349 1.00 0.00 C ATOM 270 CZ TYR A 25 -8.895 23.236 22.306 1.00 0.00 C ATOM 271 OH TYR A 25 -7.578 22.983 22.531 1.00 0.00 O ATOM 0 H TYR A 25 -12.871 25.563 19.778 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.114 22.685 19.869 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.251 25.106 21.728 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.661 23.518 22.344 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.017 24.111 19.819 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.865 23.339 23.922 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.565 23.640 20.245 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.412 22.870 24.334 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.214 22.457 21.788 1.00 0.00 H new ATOM 281 N GLU A 26 -15.757 24.308 19.503 1.00 0.00 N ATOM 282 CA GLU A 26 -17.207 24.253 19.442 1.00 0.00 C ATOM 283 C GLU A 26 -17.657 23.371 18.275 1.00 0.00 C ATOM 284 O GLU A 26 -18.838 23.051 18.153 1.00 0.00 O ATOM 285 CB GLU A 26 -17.805 25.657 19.330 1.00 0.00 C ATOM 286 CG GLU A 26 -18.327 26.140 20.685 1.00 0.00 C ATOM 287 CD GLU A 26 -18.427 27.667 20.721 1.00 0.00 C ATOM 288 OE1 GLU A 26 -19.296 28.196 19.995 1.00 0.00 O ATOM 289 OE2 GLU A 26 -17.631 28.270 21.474 1.00 0.00 O ATOM 0 H GLU A 26 -15.335 25.050 18.945 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.573 23.810 20.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.049 26.350 18.959 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.618 25.653 18.603 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.307 25.703 20.878 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.663 25.797 21.478 1.00 0.00 H new ATOM 296 N ALA A 27 -16.690 23.004 17.446 1.00 0.00 N ATOM 297 CA ALA A 27 -16.971 22.166 16.294 1.00 0.00 C ATOM 298 C ALA A 27 -16.269 20.817 16.465 1.00 0.00 C ATOM 299 O ALA A 27 -15.078 20.693 16.185 1.00 0.00 O ATOM 300 CB ALA A 27 -16.538 22.890 15.017 1.00 0.00 C ATOM 0 H ALA A 27 -15.711 23.272 17.550 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.041 21.973 16.213 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.749 22.261 14.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.087 23.827 14.926 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.469 23.099 15.062 1.00 0.00 H new ATOM 306 N THR A 28 -17.038 19.840 16.925 1.00 0.00 N ATOM 307 CA THR A 28 -16.504 18.506 17.138 1.00 0.00 C ATOM 308 C THR A 28 -16.665 17.659 15.873 1.00 0.00 C ATOM 309 O THR A 28 -17.284 18.096 14.904 1.00 0.00 O ATOM 310 CB THR A 28 -17.200 17.908 18.362 1.00 0.00 C ATOM 311 OG1 THR A 28 -18.567 18.275 18.198 1.00 0.00 O ATOM 312 CG2 THR A 28 -16.783 18.593 19.665 1.00 0.00 C ATOM 0 H THR A 28 -18.026 19.946 17.156 1.00 0.00 H new ATOM 0 HA THR A 28 -15.433 18.536 17.338 1.00 0.00 H new ATOM 0 HB THR A 28 -16.975 16.843 18.424 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.092 17.926 18.948 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.306 18.131 20.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.707 18.485 19.805 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.039 19.652 19.618 1.00 0.00 H new ATOM 320 N GLU A 29 -16.098 16.463 15.924 1.00 0.00 N ATOM 321 CA GLU A 29 -16.172 15.551 14.795 1.00 0.00 C ATOM 322 C GLU A 29 -17.632 15.265 14.438 1.00 0.00 C ATOM 323 O GLU A 29 -17.954 15.026 13.275 1.00 0.00 O ATOM 324 CB GLU A 29 -15.415 14.254 15.088 1.00 0.00 C ATOM 325 CG GLU A 29 -13.952 14.362 14.651 1.00 0.00 C ATOM 326 CD GLU A 29 -13.232 13.021 14.809 1.00 0.00 C ATOM 327 OE1 GLU A 29 -13.908 11.988 14.614 1.00 0.00 O ATOM 328 OE2 GLU A 29 -12.023 13.060 15.121 1.00 0.00 O ATOM 0 H GLU A 29 -15.585 16.104 16.729 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.695 16.026 13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.464 14.033 16.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.893 13.424 14.568 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.902 14.685 13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.446 15.123 15.246 1.00 0.00 H new ATOM 335 N GLU A 30 -18.475 15.300 15.459 1.00 0.00 N ATOM 336 CA GLU A 30 -19.893 15.048 15.266 1.00 0.00 C ATOM 337 C GLU A 30 -20.507 16.124 14.368 1.00 0.00 C ATOM 338 O GLU A 30 -21.427 15.846 13.601 1.00 0.00 O ATOM 339 CB GLU A 30 -20.623 14.973 16.609 1.00 0.00 C ATOM 340 CG GLU A 30 -21.744 13.932 16.566 1.00 0.00 C ATOM 341 CD GLU A 30 -22.569 13.960 17.854 1.00 0.00 C ATOM 342 OE1 GLU A 30 -23.550 14.734 17.883 1.00 0.00 O ATOM 343 OE2 GLU A 30 -22.200 13.208 18.781 1.00 0.00 O ATOM 0 H GLU A 30 -18.204 15.499 16.422 1.00 0.00 H new ATOM 0 HA GLU A 30 -20.007 14.083 14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.915 14.718 17.398 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -21.038 15.950 16.856 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -22.392 14.125 15.711 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -21.317 12.939 16.425 1.00 0.00 H new ATOM 350 N GLN A 31 -19.973 17.330 14.494 1.00 0.00 N ATOM 351 CA GLN A 31 -20.456 18.449 13.703 1.00 0.00 C ATOM 352 C GLN A 31 -19.733 18.498 12.356 1.00 0.00 C ATOM 353 O GLN A 31 -20.364 18.682 11.315 1.00 0.00 O ATOM 354 CB GLN A 31 -20.293 19.768 14.462 1.00 0.00 C ATOM 355 CG GLN A 31 -21.248 19.835 15.655 1.00 0.00 C ATOM 356 CD GLN A 31 -21.928 21.203 15.736 1.00 0.00 C ATOM 357 OE1 GLN A 31 -22.938 21.461 15.102 1.00 0.00 O ATOM 358 NE2 GLN A 31 -21.321 22.062 16.550 1.00 0.00 N ATOM 0 H GLN A 31 -19.210 17.557 15.132 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.520 18.305 13.517 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.264 19.868 14.809 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -20.485 20.605 13.790 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -22.003 19.054 15.565 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -20.699 19.643 16.577 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -20.478 21.781 17.051 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.698 23.002 16.673 1.00 0.00 H new ATOM 367 N LEU A 32 -18.421 18.331 12.418 1.00 0.00 N ATOM 368 CA LEU A 32 -17.605 18.354 11.216 1.00 0.00 C ATOM 369 C LEU A 32 -18.083 17.260 10.259 1.00 0.00 C ATOM 370 O LEU A 32 -18.304 17.517 9.077 1.00 0.00 O ATOM 371 CB LEU A 32 -16.121 18.254 11.573 1.00 0.00 C ATOM 372 CG LEU A 32 -15.440 19.561 11.985 1.00 0.00 C ATOM 373 CD1 LEU A 32 -16.133 20.180 13.201 1.00 0.00 C ATOM 374 CD2 LEU A 32 -13.944 19.348 12.224 1.00 0.00 C ATOM 0 H LEU A 32 -17.902 18.179 13.283 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.720 19.305 10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.011 17.538 12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.588 17.845 10.715 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.536 20.271 11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.630 21.108 13.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.175 20.390 12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.089 19.484 14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.484 20.292 12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.803 18.615 13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.477 18.985 11.308 1.00 0.00 H new ATOM 386 N LYS A 33 -18.228 16.062 10.807 1.00 0.00 N ATOM 387 CA LYS A 33 -18.676 14.928 10.017 1.00 0.00 C ATOM 388 C LYS A 33 -20.034 15.251 9.392 1.00 0.00 C ATOM 389 O LYS A 33 -20.302 14.873 8.253 1.00 0.00 O ATOM 390 CB LYS A 33 -18.676 13.653 10.864 1.00 0.00 C ATOM 391 CG LYS A 33 -18.595 12.407 9.979 1.00 0.00 C ATOM 392 CD LYS A 33 -17.926 11.249 10.722 1.00 0.00 C ATOM 393 CE LYS A 33 -18.852 10.033 10.789 1.00 0.00 C ATOM 394 NZ LYS A 33 -18.506 9.181 11.949 1.00 0.00 N ATOM 0 H LYS A 33 -18.043 15.852 11.788 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.985 14.739 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.831 13.670 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.581 13.615 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.597 12.113 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.033 12.636 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.998 10.977 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.661 11.565 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.888 10.362 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.770 9.455 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.144 8.360 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.523 8.852 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.607 9.731 12.826 1.00 0.00 H new ATOM 408 N ASP A 34 -20.855 15.947 10.165 1.00 0.00 N ATOM 409 CA ASP A 34 -22.178 16.326 9.701 1.00 0.00 C ATOM 410 C ASP A 34 -22.044 17.319 8.544 1.00 0.00 C ATOM 411 O ASP A 34 -22.826 17.282 7.595 1.00 0.00 O ATOM 412 CB ASP A 34 -22.980 17.002 10.814 1.00 0.00 C ATOM 413 CG ASP A 34 -24.427 16.525 10.951 1.00 0.00 C ATOM 414 OD1 ASP A 34 -24.603 15.327 11.258 1.00 0.00 O ATOM 415 OD2 ASP A 34 -25.325 17.370 10.745 1.00 0.00 O ATOM 0 H ASP A 34 -20.629 16.258 11.110 1.00 0.00 H new ATOM 0 HA ASP A 34 -22.695 15.421 9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -22.468 16.837 11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -22.983 18.077 10.637 1.00 0.00 H new ATOM 420 N ILE A 35 -21.047 18.184 8.662 1.00 0.00 N ATOM 421 CA ILE A 35 -20.801 19.185 7.639 1.00 0.00 C ATOM 422 C ILE A 35 -20.319 18.495 6.361 1.00 0.00 C ATOM 423 O ILE A 35 -20.818 18.777 5.273 1.00 0.00 O ATOM 424 CB ILE A 35 -19.840 20.257 8.158 1.00 0.00 C ATOM 425 CG1 ILE A 35 -20.373 20.895 9.443 1.00 0.00 C ATOM 426 CG2 ILE A 35 -19.547 21.300 7.078 1.00 0.00 C ATOM 427 CD1 ILE A 35 -19.230 21.231 10.403 1.00 0.00 C ATOM 0 H ILE A 35 -20.401 18.212 9.451 1.00 0.00 H new ATOM 0 HA ILE A 35 -21.724 19.709 7.390 1.00 0.00 H new ATOM 0 HB ILE A 35 -18.893 19.777 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -20.927 21.802 9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -21.072 20.214 9.928 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.862 22.050 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -19.093 20.813 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -20.477 21.782 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.636 21.683 11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.693 20.319 10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -18.546 21.931 9.923 1.00 0.00 H new ATOM 439 N PHE A 36 -19.355 17.603 6.536 1.00 0.00 N ATOM 440 CA PHE A 36 -18.800 16.870 5.411 1.00 0.00 C ATOM 441 C PHE A 36 -19.824 15.887 4.839 1.00 0.00 C ATOM 442 O PHE A 36 -19.795 15.577 3.649 1.00 0.00 O ATOM 443 CB PHE A 36 -17.597 16.085 5.937 1.00 0.00 C ATOM 444 CG PHE A 36 -16.276 16.854 5.872 1.00 0.00 C ATOM 445 CD1 PHE A 36 -15.897 17.645 6.912 1.00 0.00 C ATOM 446 CD2 PHE A 36 -15.480 16.747 4.774 1.00 0.00 C ATOM 447 CE1 PHE A 36 -14.671 18.359 6.851 1.00 0.00 C ATOM 448 CE2 PHE A 36 -14.254 17.461 4.713 1.00 0.00 C ATOM 449 CZ PHE A 36 -13.876 18.252 5.753 1.00 0.00 C ATOM 0 H PHE A 36 -18.944 17.371 7.440 1.00 0.00 H new ATOM 0 HA PHE A 36 -18.518 17.563 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -17.788 15.797 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -17.498 15.164 5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -16.529 17.730 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.781 16.119 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.370 18.987 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.622 17.376 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.944 18.795 5.707 1.00 0.00 H new ATOM 459 N SER A 37 -20.705 15.423 5.713 1.00 0.00 N ATOM 460 CA SER A 37 -21.735 14.482 5.310 1.00 0.00 C ATOM 461 C SER A 37 -22.663 15.131 4.280 1.00 0.00 C ATOM 462 O SER A 37 -23.168 14.457 3.384 1.00 0.00 O ATOM 463 CB SER A 37 -22.540 13.996 6.517 1.00 0.00 C ATOM 464 OG SER A 37 -23.383 15.017 7.043 1.00 0.00 O ATOM 0 H SER A 37 -20.726 15.682 6.699 1.00 0.00 H new ATOM 0 HA SER A 37 -21.250 13.617 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 37 -23.147 13.139 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.857 13.654 7.294 1.00 0.00 H new ATOM 0 HG SER A 37 -22.989 15.895 6.856 1.00 0.00 H new ATOM 470 N GLU A 38 -22.858 16.431 4.444 1.00 0.00 N ATOM 471 CA GLU A 38 -23.716 17.178 3.540 1.00 0.00 C ATOM 472 C GLU A 38 -23.111 17.205 2.135 1.00 0.00 C ATOM 473 O GLU A 38 -23.779 17.585 1.174 1.00 0.00 O ATOM 474 CB GLU A 38 -23.958 18.596 4.060 1.00 0.00 C ATOM 475 CG GLU A 38 -24.009 18.618 5.589 1.00 0.00 C ATOM 476 CD GLU A 38 -25.047 19.625 6.089 1.00 0.00 C ATOM 477 OE1 GLU A 38 -24.995 20.778 5.611 1.00 0.00 O ATOM 478 OE2 GLU A 38 -25.869 19.217 6.938 1.00 0.00 O ATOM 0 H GLU A 38 -22.437 16.986 5.189 1.00 0.00 H new ATOM 0 HA GLU A 38 -24.682 16.676 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.165 19.256 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.894 18.981 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.253 17.623 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.027 18.876 5.985 1.00 0.00 H new ATOM 485 N VAL A 39 -21.852 16.799 2.060 1.00 0.00 N ATOM 486 CA VAL A 39 -21.149 16.772 0.788 1.00 0.00 C ATOM 487 C VAL A 39 -21.056 15.327 0.292 1.00 0.00 C ATOM 488 O VAL A 39 -20.387 15.050 -0.702 1.00 0.00 O ATOM 489 CB VAL A 39 -19.782 17.444 0.932 1.00 0.00 C ATOM 490 CG1 VAL A 39 -19.186 17.772 -0.439 1.00 0.00 C ATOM 491 CG2 VAL A 39 -19.876 18.697 1.804 1.00 0.00 C ATOM 0 H VAL A 39 -21.301 16.486 2.859 1.00 0.00 H new ATOM 0 HA VAL A 39 -21.698 17.339 0.036 1.00 0.00 H new ATOM 0 HB VAL A 39 -19.113 16.741 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -18.215 18.249 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -19.065 16.853 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -19.853 18.448 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -18.891 19.155 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -20.567 19.406 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -20.237 18.424 2.796 1.00 0.00 H new ATOM 501 N GLY A 40 -21.739 14.445 1.007 1.00 0.00 N ATOM 502 CA GLY A 40 -21.741 13.036 0.652 1.00 0.00 C ATOM 503 C GLY A 40 -21.422 12.163 1.868 1.00 0.00 C ATOM 504 O GLY A 40 -21.362 12.658 2.993 1.00 0.00 O ATOM 0 H GLY A 40 -22.294 14.679 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -22.715 12.761 0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -21.007 12.854 -0.133 1.00 0.00 H new ATOM 508 N PRO A 41 -21.220 10.847 1.593 1.00 0.00 N ATOM 509 CA PRO A 41 -20.909 9.901 2.651 1.00 0.00 C ATOM 510 C PRO A 41 -19.461 10.060 3.121 1.00 0.00 C ATOM 511 O PRO A 41 -18.529 9.894 2.336 1.00 0.00 O ATOM 512 CB PRO A 41 -21.191 8.533 2.052 1.00 0.00 C ATOM 513 CG PRO A 41 -21.204 8.733 0.545 1.00 0.00 C ATOM 514 CD PRO A 41 -21.283 10.226 0.274 1.00 0.00 C ATOM 0 HA PRO A 41 -21.509 10.060 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -20.426 7.813 2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -22.146 8.142 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -20.305 8.311 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -22.055 8.218 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -20.460 10.557 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -22.207 10.486 -0.242 1.00 0.00 H new ATOM 522 N VAL A 42 -19.319 10.381 4.398 1.00 0.00 N ATOM 523 CA VAL A 42 -18.000 10.565 4.981 1.00 0.00 C ATOM 524 C VAL A 42 -17.529 9.243 5.592 1.00 0.00 C ATOM 525 O VAL A 42 -18.195 8.685 6.463 1.00 0.00 O ATOM 526 CB VAL A 42 -18.030 11.713 5.991 1.00 0.00 C ATOM 527 CG1 VAL A 42 -18.889 11.353 7.205 1.00 0.00 C ATOM 528 CG2 VAL A 42 -16.614 12.105 6.418 1.00 0.00 C ATOM 0 H VAL A 42 -20.095 10.519 5.046 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.278 10.844 4.213 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.484 12.576 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.893 12.186 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.909 11.146 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.477 10.469 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.664 12.923 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.122 11.248 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.046 12.423 5.544 1.00 0.00 H new ATOM 538 N VAL A 43 -16.384 8.781 5.112 1.00 0.00 N ATOM 539 CA VAL A 43 -15.816 7.536 5.600 1.00 0.00 C ATOM 540 C VAL A 43 -15.413 7.705 7.066 1.00 0.00 C ATOM 541 O VAL A 43 -16.147 7.299 7.966 1.00 0.00 O ATOM 542 CB VAL A 43 -14.651 7.107 4.706 1.00 0.00 C ATOM 543 CG1 VAL A 43 -13.616 6.306 5.500 1.00 0.00 C ATOM 544 CG2 VAL A 43 -15.151 6.311 3.499 1.00 0.00 C ATOM 0 H VAL A 43 -15.834 9.247 4.390 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.555 6.736 5.556 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.164 8.009 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.799 6.013 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.226 6.920 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.086 5.414 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.303 6.018 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.674 5.419 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.832 6.928 2.913 1.00 0.00 H new ATOM 554 N SER A 44 -14.248 8.304 7.262 1.00 0.00 N ATOM 555 CA SER A 44 -13.739 8.531 8.603 1.00 0.00 C ATOM 556 C SER A 44 -13.250 9.975 8.740 1.00 0.00 C ATOM 557 O SER A 44 -13.106 10.682 7.744 1.00 0.00 O ATOM 558 CB SER A 44 -12.609 7.555 8.937 1.00 0.00 C ATOM 559 OG SER A 44 -12.876 6.817 10.127 1.00 0.00 O ATOM 0 H SER A 44 -13.642 8.639 6.514 1.00 0.00 H new ATOM 0 HA SER A 44 -14.551 8.360 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.469 6.864 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.676 8.107 9.054 1.00 0.00 H new ATOM 0 HG SER A 44 -12.133 6.204 10.305 1.00 0.00 H new ATOM 565 N PHE A 45 -13.008 10.369 9.982 1.00 0.00 N ATOM 566 CA PHE A 45 -12.538 11.715 10.262 1.00 0.00 C ATOM 567 C PHE A 45 -11.890 11.793 11.646 1.00 0.00 C ATOM 568 O PHE A 45 -12.563 11.620 12.661 1.00 0.00 O ATOM 569 CB PHE A 45 -13.763 12.631 10.233 1.00 0.00 C ATOM 570 CG PHE A 45 -13.431 14.108 10.008 1.00 0.00 C ATOM 571 CD1 PHE A 45 -12.168 14.561 10.227 1.00 0.00 C ATOM 572 CD2 PHE A 45 -14.399 14.966 9.589 1.00 0.00 C ATOM 573 CE1 PHE A 45 -11.859 15.931 10.018 1.00 0.00 C ATOM 574 CE2 PHE A 45 -14.090 16.337 9.380 1.00 0.00 C ATOM 575 CZ PHE A 45 -12.827 16.790 9.599 1.00 0.00 C ATOM 0 H PHE A 45 -13.129 9.779 10.806 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.792 12.010 9.524 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -14.436 12.296 9.443 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.302 12.530 11.175 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.400 13.879 10.560 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.402 14.606 9.415 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.856 16.291 10.192 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -14.858 17.019 9.047 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.592 17.832 9.440 1.00 0.00 H new ATOM 585 N ARG A 46 -10.591 12.053 11.642 1.00 0.00 N ATOM 586 CA ARG A 46 -9.845 12.156 12.884 1.00 0.00 C ATOM 587 C ARG A 46 -8.963 13.407 12.872 1.00 0.00 C ATOM 588 O ARG A 46 -8.398 13.761 11.838 1.00 0.00 O ATOM 589 CB ARG A 46 -8.967 10.923 13.103 1.00 0.00 C ATOM 590 CG ARG A 46 -9.819 9.688 13.401 1.00 0.00 C ATOM 591 CD ARG A 46 -9.346 8.990 14.677 1.00 0.00 C ATOM 592 NE ARG A 46 -10.235 7.848 14.989 1.00 0.00 N ATOM 593 CZ ARG A 46 -10.025 6.985 15.992 1.00 0.00 C ATOM 594 NH1 ARG A 46 -8.955 7.128 16.786 1.00 0.00 N ATOM 595 NH2 ARG A 46 -10.884 5.978 16.201 1.00 0.00 N ATOM 0 H ARG A 46 -10.036 12.195 10.798 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.566 12.224 13.699 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.358 10.744 12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.280 11.104 13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.864 9.980 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.766 8.994 12.562 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.321 8.640 14.551 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.342 9.696 15.507 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.059 7.710 14.404 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.300 7.894 16.627 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.795 6.471 17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.698 5.868 15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.724 5.321 16.965 1.00 0.00 H new ATOM 609 N LEU A 47 -8.873 14.040 14.032 1.00 0.00 N ATOM 610 CA LEU A 47 -8.070 15.243 14.167 1.00 0.00 C ATOM 611 C LEU A 47 -6.930 14.982 15.154 1.00 0.00 C ATOM 612 O LEU A 47 -6.846 13.903 15.738 1.00 0.00 O ATOM 613 CB LEU A 47 -8.950 16.436 14.546 1.00 0.00 C ATOM 614 CG LEU A 47 -10.378 16.417 13.996 1.00 0.00 C ATOM 615 CD1 LEU A 47 -11.403 16.401 15.132 1.00 0.00 C ATOM 616 CD2 LEU A 47 -10.609 17.582 13.031 1.00 0.00 C ATOM 0 H LEU A 47 -9.343 13.742 14.887 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.613 15.504 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.001 16.494 15.633 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.461 17.347 14.201 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.513 15.497 13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.409 16.388 14.714 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.253 15.512 15.745 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.278 17.292 15.748 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.631 17.545 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.448 18.525 13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.912 17.507 12.196 1.00 0.00 H new ATOM 628 N VAL A 48 -6.083 15.988 15.310 1.00 0.00 N ATOM 629 CA VAL A 48 -4.952 15.881 16.216 1.00 0.00 C ATOM 630 C VAL A 48 -5.384 16.319 17.617 1.00 0.00 C ATOM 631 O VAL A 48 -5.839 17.445 17.807 1.00 0.00 O ATOM 632 CB VAL A 48 -3.770 16.688 15.676 1.00 0.00 C ATOM 633 CG1 VAL A 48 -3.079 15.947 14.529 1.00 0.00 C ATOM 634 CG2 VAL A 48 -4.214 18.085 15.237 1.00 0.00 C ATOM 0 H VAL A 48 -6.157 16.882 14.824 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.616 14.846 16.287 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.047 16.805 16.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.242 16.542 14.163 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.711 14.985 14.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.791 15.785 13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.354 18.637 14.857 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.965 17.998 14.452 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.639 18.616 16.089 1.00 0.00 H new ATOM 644 N TYR A 49 -5.226 15.404 18.563 1.00 0.00 N ATOM 645 CA TYR A 49 -5.593 15.682 19.941 1.00 0.00 C ATOM 646 C TYR A 49 -4.406 15.462 20.881 1.00 0.00 C ATOM 647 O TYR A 49 -3.876 14.355 20.969 1.00 0.00 O ATOM 648 CB TYR A 49 -6.698 14.683 20.292 1.00 0.00 C ATOM 649 CG TYR A 49 -8.109 15.271 20.238 1.00 0.00 C ATOM 650 CD1 TYR A 49 -8.777 15.350 19.033 1.00 0.00 C ATOM 651 CD2 TYR A 49 -8.714 15.723 21.393 1.00 0.00 C ATOM 652 CE1 TYR A 49 -10.106 15.903 18.981 1.00 0.00 C ATOM 653 CE2 TYR A 49 -10.042 16.276 21.342 1.00 0.00 C ATOM 654 CZ TYR A 49 -10.673 16.339 20.138 1.00 0.00 C ATOM 655 OH TYR A 49 -11.927 16.862 20.090 1.00 0.00 O ATOM 0 H TYR A 49 -4.849 14.470 18.402 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.914 16.718 20.051 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.641 13.838 19.606 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.516 14.293 21.293 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.303 14.997 18.129 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.191 15.662 22.336 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.640 15.970 18.045 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.527 16.633 22.239 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.204 17.131 20.991 1.00 0.00 H new ATOM 665 N ASP A 50 -4.022 16.534 21.558 1.00 0.00 N ATOM 666 CA ASP A 50 -2.907 16.472 22.487 1.00 0.00 C ATOM 667 C ASP A 50 -3.344 15.734 23.754 1.00 0.00 C ATOM 668 O ASP A 50 -4.117 16.264 24.550 1.00 0.00 O ATOM 669 CB ASP A 50 -2.449 17.875 22.893 1.00 0.00 C ATOM 670 CG ASP A 50 -1.252 18.416 22.108 1.00 0.00 C ATOM 671 OD1 ASP A 50 -1.017 17.892 20.998 1.00 0.00 O ATOM 672 OD2 ASP A 50 -0.598 19.341 22.637 1.00 0.00 O ATOM 0 H ASP A 50 -4.463 17.450 21.482 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.086 15.953 21.993 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.285 18.563 22.772 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.195 17.866 23.953 1.00 0.00 H new ATOM 677 N ARG A 51 -2.831 14.521 23.900 1.00 0.00 N ATOM 678 CA ARG A 51 -3.159 13.704 25.056 1.00 0.00 C ATOM 679 C ARG A 51 -2.456 14.243 26.304 1.00 0.00 C ATOM 680 O ARG A 51 -2.943 14.067 27.420 1.00 0.00 O ATOM 681 CB ARG A 51 -2.746 12.247 24.836 1.00 0.00 C ATOM 682 CG ARG A 51 -3.666 11.564 23.822 1.00 0.00 C ATOM 683 CD ARG A 51 -3.202 10.134 23.537 1.00 0.00 C ATOM 684 NE ARG A 51 -4.372 9.235 23.428 1.00 0.00 N ATOM 685 CZ ARG A 51 -5.111 8.834 24.472 1.00 0.00 C ATOM 686 NH1 ARG A 51 -4.806 9.251 25.708 1.00 0.00 N ATOM 687 NH2 ARG A 51 -6.156 8.017 24.279 1.00 0.00 N ATOM 0 H ARG A 51 -2.191 14.084 23.237 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.239 13.747 25.196 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.716 12.207 24.483 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.779 11.709 25.783 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.687 11.550 24.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.680 12.137 22.895 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.625 10.107 22.613 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.542 9.791 24.334 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.633 8.899 22.501 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.011 9.874 25.855 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.368 8.946 26.502 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.389 7.700 23.338 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.718 7.712 25.073 1.00 0.00 H new ATOM 701 N GLU A 52 -1.322 14.889 26.073 1.00 0.00 N ATOM 702 CA GLU A 52 -0.547 15.454 27.164 1.00 0.00 C ATOM 703 C GLU A 52 -1.289 16.642 27.781 1.00 0.00 C ATOM 704 O GLU A 52 -1.141 16.921 28.970 1.00 0.00 O ATOM 705 CB GLU A 52 0.848 15.865 26.690 1.00 0.00 C ATOM 706 CG GLU A 52 1.927 15.326 27.631 1.00 0.00 C ATOM 707 CD GLU A 52 2.848 16.450 28.110 1.00 0.00 C ATOM 708 OE1 GLU A 52 3.718 16.852 27.308 1.00 0.00 O ATOM 709 OE2 GLU A 52 2.662 16.881 29.269 1.00 0.00 O ATOM 0 H GLU A 52 -0.922 15.033 25.146 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.423 14.689 27.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.019 15.489 25.681 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.914 16.952 26.640 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.459 14.844 28.489 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.514 14.564 27.119 1.00 0.00 H new ATOM 716 N THR A 53 -2.070 17.310 26.945 1.00 0.00 N ATOM 717 CA THR A 53 -2.835 18.462 27.394 1.00 0.00 C ATOM 718 C THR A 53 -4.330 18.139 27.399 1.00 0.00 C ATOM 719 O THR A 53 -5.140 18.942 27.861 1.00 0.00 O ATOM 720 CB THR A 53 -2.471 19.648 26.499 1.00 0.00 C ATOM 721 OG1 THR A 53 -2.527 20.772 27.373 1.00 0.00 O ATOM 722 CG2 THR A 53 -3.545 19.939 25.448 1.00 0.00 C ATOM 0 H THR A 53 -2.190 17.076 25.959 1.00 0.00 H new ATOM 0 HA THR A 53 -2.589 18.726 28.423 1.00 0.00 H new ATOM 0 HB THR A 53 -1.521 19.450 26.002 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.303 21.585 26.875 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.238 20.789 24.839 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.676 19.065 24.810 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.487 20.170 25.945 1.00 0.00 H new ATOM 730 N GLY A 54 -4.651 16.964 26.879 1.00 0.00 N ATOM 731 CA GLY A 54 -6.036 16.526 26.818 1.00 0.00 C ATOM 732 C GLY A 54 -6.890 17.517 26.024 1.00 0.00 C ATOM 733 O GLY A 54 -8.115 17.506 26.127 1.00 0.00 O ATOM 0 H GLY A 54 -3.977 16.301 26.496 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.090 15.541 26.354 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.434 16.425 27.828 1.00 0.00 H new ATOM 737 N LYS A 55 -6.208 18.349 25.251 1.00 0.00 N ATOM 738 CA LYS A 55 -6.889 19.345 24.441 1.00 0.00 C ATOM 739 C LYS A 55 -6.566 19.102 22.965 1.00 0.00 C ATOM 740 O LYS A 55 -5.461 18.680 22.629 1.00 0.00 O ATOM 741 CB LYS A 55 -6.543 20.755 24.922 1.00 0.00 C ATOM 742 CG LYS A 55 -6.758 20.888 26.431 1.00 0.00 C ATOM 743 CD LYS A 55 -5.636 21.705 27.075 1.00 0.00 C ATOM 744 CE LYS A 55 -6.164 23.041 27.601 1.00 0.00 C ATOM 745 NZ LYS A 55 -5.964 24.109 26.596 1.00 0.00 N ATOM 0 H LYS A 55 -5.191 18.354 25.168 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.969 19.252 24.551 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.505 20.982 24.678 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.161 21.484 24.397 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.718 21.366 26.624 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.798 19.898 26.885 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.192 21.138 27.893 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.846 21.884 26.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.224 22.952 27.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.650 23.303 28.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.328 25.009 26.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.949 24.205 26.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.474 23.864 25.723 1.00 0.00 H new ATOM 759 N PRO A 56 -7.578 19.386 22.101 1.00 0.00 N ATOM 760 CA PRO A 56 -7.413 19.203 20.669 1.00 0.00 C ATOM 761 C PRO A 56 -6.544 20.312 20.071 1.00 0.00 C ATOM 762 O PRO A 56 -6.696 21.481 20.422 1.00 0.00 O ATOM 763 CB PRO A 56 -8.826 19.188 20.109 1.00 0.00 C ATOM 764 CG PRO A 56 -9.703 19.825 21.174 1.00 0.00 C ATOM 765 CD PRO A 56 -8.900 19.887 22.464 1.00 0.00 C ATOM 0 HA PRO A 56 -6.891 18.279 20.420 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.881 19.745 19.173 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.150 18.170 19.894 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.010 20.825 20.867 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.613 19.242 21.318 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.846 20.906 22.848 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.355 19.276 23.244 1.00 0.00 H new ATOM 773 N LYS A 57 -5.653 19.906 19.179 1.00 0.00 N ATOM 774 CA LYS A 57 -4.761 20.850 18.529 1.00 0.00 C ATOM 775 C LYS A 57 -5.585 21.977 17.903 1.00 0.00 C ATOM 776 O LYS A 57 -5.383 23.148 18.218 1.00 0.00 O ATOM 777 CB LYS A 57 -3.849 20.129 17.534 1.00 0.00 C ATOM 778 CG LYS A 57 -2.396 20.141 18.014 1.00 0.00 C ATOM 779 CD LYS A 57 -1.809 21.552 17.948 1.00 0.00 C ATOM 780 CE LYS A 57 -1.366 22.027 19.333 1.00 0.00 C ATOM 781 NZ LYS A 57 0.104 21.927 19.471 1.00 0.00 N ATOM 0 H LYS A 57 -5.530 18.935 18.891 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.096 21.310 19.260 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.185 19.100 17.407 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.917 20.610 16.558 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.344 19.769 19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.800 19.466 17.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.959 21.564 17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.552 22.240 17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.682 23.059 19.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.851 21.426 20.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.387 22.253 20.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.398 20.938 19.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.562 22.520 18.749 1.00 0.00 H new ATOM 795 N GLY A 58 -6.497 21.582 17.026 1.00 0.00 N ATOM 796 CA GLY A 58 -7.353 22.544 16.353 1.00 0.00 C ATOM 797 C GLY A 58 -7.588 22.142 14.895 1.00 0.00 C ATOM 798 O GLY A 58 -8.548 22.591 14.271 1.00 0.00 O ATOM 0 H GLY A 58 -6.661 20.609 16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.308 22.613 16.874 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.896 23.533 16.392 1.00 0.00 H new ATOM 802 N TYR A 59 -6.695 21.301 14.395 1.00 0.00 N ATOM 803 CA TYR A 59 -6.793 20.833 13.023 1.00 0.00 C ATOM 804 C TYR A 59 -6.861 19.306 12.967 1.00 0.00 C ATOM 805 O TYR A 59 -6.414 18.627 13.891 1.00 0.00 O ATOM 806 CB TYR A 59 -5.514 21.301 12.326 1.00 0.00 C ATOM 807 CG TYR A 59 -4.227 20.873 13.035 1.00 0.00 C ATOM 808 CD1 TYR A 59 -3.737 21.621 14.085 1.00 0.00 C ATOM 809 CD2 TYR A 59 -3.558 19.738 12.624 1.00 0.00 C ATOM 810 CE1 TYR A 59 -2.526 21.219 14.752 1.00 0.00 C ATOM 811 CE2 TYR A 59 -2.347 19.336 13.291 1.00 0.00 C ATOM 812 CZ TYR A 59 -1.890 20.096 14.322 1.00 0.00 C ATOM 813 OH TYR A 59 -0.747 19.716 14.952 1.00 0.00 O ATOM 0 H TYR A 59 -5.900 20.931 14.916 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.694 21.222 12.549 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.503 20.911 11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.531 22.388 12.250 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.262 22.508 14.407 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.943 19.152 11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.131 21.796 15.575 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.813 18.450 12.979 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.403 18.896 14.539 1.00 0.00 H new ATOM 823 N GLY A 60 -7.424 18.810 11.875 1.00 0.00 N ATOM 824 CA GLY A 60 -7.557 17.375 11.687 1.00 0.00 C ATOM 825 C GLY A 60 -7.703 17.028 10.204 1.00 0.00 C ATOM 826 O GLY A 60 -7.606 17.903 9.346 1.00 0.00 O ATOM 0 H GLY A 60 -7.793 19.376 11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.684 16.868 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.425 17.011 12.237 1.00 0.00 H new ATOM 830 N PHE A 61 -7.933 15.748 9.949 1.00 0.00 N ATOM 831 CA PHE A 61 -8.093 15.274 8.585 1.00 0.00 C ATOM 832 C PHE A 61 -9.326 14.377 8.457 1.00 0.00 C ATOM 833 O PHE A 61 -9.599 13.563 9.338 1.00 0.00 O ATOM 834 CB PHE A 61 -6.845 14.457 8.246 1.00 0.00 C ATOM 835 CG PHE A 61 -5.552 15.274 8.228 1.00 0.00 C ATOM 836 CD1 PHE A 61 -4.920 15.573 9.395 1.00 0.00 C ATOM 837 CD2 PHE A 61 -5.033 15.702 7.046 1.00 0.00 C ATOM 838 CE1 PHE A 61 -3.720 16.331 9.379 1.00 0.00 C ATOM 839 CE2 PHE A 61 -3.833 16.460 7.030 1.00 0.00 C ATOM 840 CZ PHE A 61 -3.201 16.759 8.197 1.00 0.00 C ATOM 0 H PHE A 61 -8.012 15.025 10.664 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.221 16.120 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.743 13.651 8.972 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.982 13.992 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.331 15.233 10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.534 15.465 6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.219 16.568 10.306 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.422 16.800 6.091 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.288 17.336 8.185 1.00 0.00 H new ATOM 850 N CYS A 62 -10.037 14.557 7.354 1.00 0.00 N ATOM 851 CA CYS A 62 -11.235 13.774 7.100 1.00 0.00 C ATOM 852 C CYS A 62 -11.011 12.954 5.828 1.00 0.00 C ATOM 853 O CYS A 62 -10.723 13.510 4.769 1.00 0.00 O ATOM 854 CB CYS A 62 -12.478 14.659 6.998 1.00 0.00 C ATOM 855 SG CYS A 62 -13.914 13.662 6.455 1.00 0.00 S ATOM 0 H CYS A 62 -9.807 15.233 6.626 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.418 13.101 7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.688 15.118 7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -12.300 15.470 6.292 1.00 0.00 H new ATOM 0 HG CYS A 62 -13.765 12.434 6.854 1.00 0.00 H new ATOM 861 N GLU A 63 -11.154 11.645 5.973 1.00 0.00 N ATOM 862 CA GLU A 63 -10.971 10.742 4.849 1.00 0.00 C ATOM 863 C GLU A 63 -12.327 10.338 4.267 1.00 0.00 C ATOM 864 O GLU A 63 -13.193 9.845 4.988 1.00 0.00 O ATOM 865 CB GLU A 63 -10.162 9.511 5.260 1.00 0.00 C ATOM 866 CG GLU A 63 -10.365 8.365 4.267 1.00 0.00 C ATOM 867 CD GLU A 63 -9.067 7.581 4.060 1.00 0.00 C ATOM 868 OE1 GLU A 63 -7.997 8.221 4.153 1.00 0.00 O ATOM 869 OE2 GLU A 63 -9.174 6.361 3.814 1.00 0.00 O ATOM 0 H GLU A 63 -11.395 11.188 6.852 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.407 11.265 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.104 9.768 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.463 9.190 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.144 7.696 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.710 8.763 3.313 1.00 0.00 H new ATOM 876 N TYR A 64 -12.469 10.563 2.969 1.00 0.00 N ATOM 877 CA TYR A 64 -13.705 10.228 2.282 1.00 0.00 C ATOM 878 C TYR A 64 -13.621 8.838 1.649 1.00 0.00 C ATOM 879 O TYR A 64 -12.709 8.069 1.950 1.00 0.00 O ATOM 880 CB TYR A 64 -13.867 11.271 1.174 1.00 0.00 C ATOM 881 CG TYR A 64 -14.809 12.421 1.536 1.00 0.00 C ATOM 882 CD1 TYR A 64 -16.163 12.189 1.668 1.00 0.00 C ATOM 883 CD2 TYR A 64 -14.304 13.691 1.730 1.00 0.00 C ATOM 884 CE1 TYR A 64 -17.049 13.272 2.008 1.00 0.00 C ATOM 885 CE2 TYR A 64 -15.190 14.774 2.070 1.00 0.00 C ATOM 886 CZ TYR A 64 -16.518 14.511 2.193 1.00 0.00 C ATOM 887 OH TYR A 64 -17.355 15.534 2.514 1.00 0.00 O ATOM 0 H TYR A 64 -11.749 10.973 2.375 1.00 0.00 H new ATOM 0 HA TYR A 64 -14.543 10.224 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.887 11.681 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -14.240 10.778 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -16.558 11.195 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.244 13.872 1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -18.111 13.105 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.808 15.772 2.224 1.00 0.00 H new ATOM 0 HH TYR A 64 -18.172 15.174 2.918 1.00 0.00 H new ATOM 897 N GLN A 65 -14.585 8.557 0.785 1.00 0.00 N ATOM 898 CA GLN A 65 -14.632 7.273 0.107 1.00 0.00 C ATOM 899 C GLN A 65 -14.372 7.453 -1.390 1.00 0.00 C ATOM 900 O GLN A 65 -14.092 6.485 -2.096 1.00 0.00 O ATOM 901 CB GLN A 65 -15.971 6.573 0.350 1.00 0.00 C ATOM 902 CG GLN A 65 -15.773 5.071 0.568 1.00 0.00 C ATOM 903 CD GLN A 65 -16.335 4.268 -0.607 1.00 0.00 C ATOM 904 OE1 GLN A 65 -17.460 4.456 -1.039 1.00 0.00 O ATOM 905 NE2 GLN A 65 -15.490 3.366 -1.098 1.00 0.00 N ATOM 0 H GLN A 65 -15.340 9.197 0.539 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.847 6.638 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.461 7.009 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -16.631 6.737 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.711 4.854 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.266 4.766 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.562 3.261 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.770 2.780 -1.884 1.00 0.00 H new ATOM 914 N ASP A 66 -14.473 8.698 -1.830 1.00 0.00 N ATOM 915 CA ASP A 66 -14.252 9.017 -3.230 1.00 0.00 C ATOM 916 C ASP A 66 -13.505 10.348 -3.333 1.00 0.00 C ATOM 917 O ASP A 66 -13.860 11.318 -2.665 1.00 0.00 O ATOM 918 CB ASP A 66 -15.579 9.161 -3.978 1.00 0.00 C ATOM 919 CG ASP A 66 -16.792 8.560 -3.265 1.00 0.00 C ATOM 920 OD1 ASP A 66 -16.625 7.465 -2.687 1.00 0.00 O ATOM 921 OD2 ASP A 66 -17.858 9.210 -3.315 1.00 0.00 O ATOM 0 H ASP A 66 -14.705 9.498 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.674 8.206 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.767 10.220 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.481 8.689 -4.956 1.00 0.00 H new ATOM 926 N GLN A 67 -12.483 10.353 -4.177 1.00 0.00 N ATOM 927 CA GLN A 67 -11.682 11.549 -4.376 1.00 0.00 C ATOM 928 C GLN A 67 -12.568 12.711 -4.830 1.00 0.00 C ATOM 929 O GLN A 67 -12.357 13.853 -4.424 1.00 0.00 O ATOM 930 CB GLN A 67 -10.556 11.294 -5.380 1.00 0.00 C ATOM 931 CG GLN A 67 -9.764 12.574 -5.652 1.00 0.00 C ATOM 932 CD GLN A 67 -9.008 12.480 -6.979 1.00 0.00 C ATOM 933 OE1 GLN A 67 -7.774 12.973 -6.935 1.00 0.00 O flip ATOM 934 NE2 GLN A 67 -9.513 11.991 -7.977 1.00 0.00 N flip ATOM 0 H GLN A 67 -12.191 9.548 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.222 11.817 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.888 10.524 -4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.974 10.916 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.442 13.427 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.059 12.749 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.466 11.630 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.981 11.943 -8.846 1.00 0.00 H new ATOM 943 N GLU A 68 -13.541 12.380 -5.666 1.00 0.00 N ATOM 944 CA GLU A 68 -14.460 13.382 -6.179 1.00 0.00 C ATOM 945 C GLU A 68 -15.242 14.023 -5.031 1.00 0.00 C ATOM 946 O GLU A 68 -15.494 15.227 -5.043 1.00 0.00 O ATOM 947 CB GLU A 68 -15.407 12.776 -7.217 1.00 0.00 C ATOM 948 CG GLU A 68 -16.457 13.797 -7.662 1.00 0.00 C ATOM 949 CD GLU A 68 -17.038 13.425 -9.028 1.00 0.00 C ATOM 950 OE1 GLU A 68 -17.738 12.391 -9.085 1.00 0.00 O ATOM 951 OE2 GLU A 68 -16.768 14.184 -9.985 1.00 0.00 O ATOM 0 H GLU A 68 -13.713 11.432 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.879 14.160 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.836 12.436 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.901 11.900 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.257 13.847 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.007 14.789 -7.712 1.00 0.00 H new ATOM 958 N THR A 69 -15.604 13.190 -4.067 1.00 0.00 N ATOM 959 CA THR A 69 -16.353 13.660 -2.913 1.00 0.00 C ATOM 960 C THR A 69 -15.482 14.574 -2.049 1.00 0.00 C ATOM 961 O THR A 69 -15.950 15.598 -1.554 1.00 0.00 O ATOM 962 CB THR A 69 -16.882 12.437 -2.162 1.00 0.00 C ATOM 963 OG1 THR A 69 -17.251 11.527 -3.196 1.00 0.00 O ATOM 964 CG2 THR A 69 -18.196 12.722 -1.431 1.00 0.00 C ATOM 0 H THR A 69 -15.393 12.192 -4.061 1.00 0.00 H new ATOM 0 HA THR A 69 -17.206 14.267 -3.216 1.00 0.00 H new ATOM 0 HB THR A 69 -16.133 12.100 -1.445 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.736 10.769 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.528 11.821 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.043 13.521 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.955 13.027 -2.152 1.00 0.00 H new ATOM 972 N ALA A 70 -14.229 14.170 -1.893 1.00 0.00 N ATOM 973 CA ALA A 70 -13.289 14.940 -1.097 1.00 0.00 C ATOM 974 C ALA A 70 -12.992 16.263 -1.805 1.00 0.00 C ATOM 975 O ALA A 70 -12.868 17.303 -1.158 1.00 0.00 O ATOM 976 CB ALA A 70 -12.025 14.111 -0.857 1.00 0.00 C ATOM 0 H ALA A 70 -13.844 13.320 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.715 15.176 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.319 14.688 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.286 13.195 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.569 13.858 -1.814 1.00 0.00 H new ATOM 982 N LEU A 71 -12.885 16.182 -3.123 1.00 0.00 N ATOM 983 CA LEU A 71 -12.605 17.361 -3.925 1.00 0.00 C ATOM 984 C LEU A 71 -13.821 18.289 -3.901 1.00 0.00 C ATOM 985 O LEU A 71 -13.681 19.496 -3.709 1.00 0.00 O ATOM 986 CB LEU A 71 -12.167 16.958 -5.334 1.00 0.00 C ATOM 987 CG LEU A 71 -10.658 16.944 -5.590 1.00 0.00 C ATOM 988 CD1 LEU A 71 -10.340 16.355 -6.966 1.00 0.00 C ATOM 989 CD2 LEU A 71 -10.060 18.341 -5.411 1.00 0.00 C ATOM 0 H LEU A 71 -12.987 15.318 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.769 17.919 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.560 15.963 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.630 17.641 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.191 16.296 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.261 16.357 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.712 15.332 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.819 16.956 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.987 18.304 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.528 19.030 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.239 18.686 -4.392 1.00 0.00 H new ATOM 1001 N SER A 72 -14.987 17.691 -4.098 1.00 0.00 N ATOM 1002 CA SER A 72 -16.226 18.449 -4.102 1.00 0.00 C ATOM 1003 C SER A 72 -16.446 19.099 -2.734 1.00 0.00 C ATOM 1004 O SER A 72 -16.918 20.232 -2.649 1.00 0.00 O ATOM 1005 CB SER A 72 -17.416 17.559 -4.464 1.00 0.00 C ATOM 1006 OG SER A 72 -18.577 18.322 -4.780 1.00 0.00 O ATOM 0 H SER A 72 -15.099 16.690 -4.256 1.00 0.00 H new ATOM 0 HA SER A 72 -16.147 19.229 -4.860 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.153 16.930 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.636 16.892 -3.631 1.00 0.00 H new ATOM 0 HG SER A 72 -18.800 18.906 -4.025 1.00 0.00 H new ATOM 1012 N ALA A 73 -16.093 18.353 -1.697 1.00 0.00 N ATOM 1013 CA ALA A 73 -16.246 18.842 -0.337 1.00 0.00 C ATOM 1014 C ALA A 73 -15.299 20.022 -0.115 1.00 0.00 C ATOM 1015 O ALA A 73 -15.651 20.987 0.562 1.00 0.00 O ATOM 1016 CB ALA A 73 -15.995 17.699 0.648 1.00 0.00 C ATOM 0 H ALA A 73 -15.702 17.414 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 73 -17.262 19.199 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.110 18.066 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.713 16.899 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.983 17.317 0.512 1.00 0.00 H new ATOM 1022 N MET A 74 -14.114 19.906 -0.696 1.00 0.00 N ATOM 1023 CA MET A 74 -13.113 20.952 -0.570 1.00 0.00 C ATOM 1024 C MET A 74 -13.604 22.260 -1.193 1.00 0.00 C ATOM 1025 O MET A 74 -13.478 23.325 -0.590 1.00 0.00 O ATOM 1026 CB MET A 74 -11.822 20.509 -1.262 1.00 0.00 C ATOM 1027 CG MET A 74 -10.772 20.075 -0.238 1.00 0.00 C ATOM 1028 SD MET A 74 -9.402 19.285 -1.066 1.00 0.00 S ATOM 1029 CE MET A 74 -9.070 20.493 -2.338 1.00 0.00 C ATOM 0 H MET A 74 -13.824 19.104 -1.255 1.00 0.00 H new ATOM 0 HA MET A 74 -12.927 21.125 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.034 19.684 -1.942 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.430 21.327 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.419 20.941 0.322 1.00 0.00 H new ATOM 0 HG3 MET A 74 -11.217 19.389 0.483 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.099 20.288 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.845 20.438 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.063 21.491 -1.899 1.00 0.00 H new ATOM 1039 N ARG A 75 -14.154 22.137 -2.392 1.00 0.00 N ATOM 1040 CA ARG A 75 -14.665 23.296 -3.104 1.00 0.00 C ATOM 1041 C ARG A 75 -16.018 23.718 -2.528 1.00 0.00 C ATOM 1042 O ARG A 75 -16.403 24.882 -2.626 1.00 0.00 O ATOM 1043 CB ARG A 75 -14.822 23.001 -4.597 1.00 0.00 C ATOM 1044 CG ARG A 75 -14.172 24.096 -5.444 1.00 0.00 C ATOM 1045 CD ARG A 75 -14.616 23.996 -6.905 1.00 0.00 C ATOM 1046 NE ARG A 75 -14.087 25.143 -7.675 1.00 0.00 N ATOM 1047 CZ ARG A 75 -14.384 25.388 -8.958 1.00 0.00 C ATOM 1048 NH1 ARG A 75 -15.209 24.567 -9.623 1.00 0.00 N ATOM 1049 NH2 ARG A 75 -13.857 26.454 -9.577 1.00 0.00 N ATOM 0 H ARG A 75 -14.257 21.252 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.945 24.105 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.368 22.038 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.880 22.923 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.438 25.075 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.087 24.012 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.260 23.061 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.704 23.980 -6.962 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.456 25.788 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.610 23.756 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.435 24.753 -10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.230 27.079 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.083 26.640 -10.554 1.00 0.00 H new ATOM 1063 N ASN A 76 -16.704 22.748 -1.941 1.00 0.00 N ATOM 1064 CA ASN A 76 -18.006 23.004 -1.350 1.00 0.00 C ATOM 1065 C ASN A 76 -17.823 23.741 -0.021 1.00 0.00 C ATOM 1066 O ASN A 76 -18.634 24.593 0.337 1.00 0.00 O ATOM 1067 CB ASN A 76 -18.750 21.697 -1.067 1.00 0.00 C ATOM 1068 CG ASN A 76 -19.665 21.323 -2.235 1.00 0.00 C ATOM 1069 OD1 ASN A 76 -19.435 20.113 -2.737 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 -20.523 22.083 -2.653 1.00 0.00 N flip ATOM 0 H ASN A 76 -16.382 21.783 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.584 23.602 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -18.032 20.896 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -19.340 21.800 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -20.647 22.999 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -21.116 21.802 -3.434 1.00 0.00 H new ATOM 1077 N LEU A 77 -16.752 23.385 0.673 1.00 0.00 N ATOM 1078 CA LEU A 77 -16.451 24.001 1.954 1.00 0.00 C ATOM 1079 C LEU A 77 -15.297 24.991 1.780 1.00 0.00 C ATOM 1080 O LEU A 77 -15.520 26.162 1.478 1.00 0.00 O ATOM 1081 CB LEU A 77 -16.189 22.931 3.015 1.00 0.00 C ATOM 1082 CG LEU A 77 -17.414 22.154 3.500 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -18.028 21.333 2.364 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -17.069 21.286 4.712 1.00 0.00 C ATOM 0 H LEU A 77 -16.082 22.677 0.372 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.308 24.570 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.467 22.219 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.722 23.408 3.876 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.168 22.872 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.897 20.790 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -18.334 21.999 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.291 20.623 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.958 20.744 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.290 20.574 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.714 21.920 5.524 1.00 0.00 H new ATOM 1096 N ASN A 78 -14.090 24.484 1.980 1.00 0.00 N ATOM 1097 CA ASN A 78 -12.901 25.308 1.849 1.00 0.00 C ATOM 1098 C ASN A 78 -13.178 26.693 2.439 1.00 0.00 C ATOM 1099 O ASN A 78 -13.632 27.592 1.733 1.00 0.00 O ATOM 1100 CB ASN A 78 -12.514 25.489 0.380 1.00 0.00 C ATOM 1101 CG ASN A 78 -11.739 26.792 0.173 1.00 0.00 C ATOM 1102 OD1 ASN A 78 -10.796 27.103 0.883 1.00 0.00 O ATOM 1103 ND2 ASN A 78 -12.186 27.533 -0.836 1.00 0.00 N ATOM 0 H ASN A 78 -13.910 23.512 2.232 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.087 24.811 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.907 24.645 0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.412 25.494 -0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.735 28.421 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.980 27.214 -1.391 1.00 0.00 H new ATOM 1110 N GLY A 79 -12.894 26.820 3.727 1.00 0.00 N ATOM 1111 CA GLY A 79 -13.107 28.080 4.419 1.00 0.00 C ATOM 1112 C GLY A 79 -14.601 28.376 4.570 1.00 0.00 C ATOM 1113 O GLY A 79 -15.018 29.532 4.500 1.00 0.00 O ATOM 0 H GLY A 79 -12.518 26.071 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.639 28.043 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.626 28.888 3.867 1.00 0.00 H new ATOM 1117 N ARG A 80 -15.365 27.314 4.773 1.00 0.00 N ATOM 1118 CA ARG A 80 -16.803 27.446 4.934 1.00 0.00 C ATOM 1119 C ARG A 80 -17.142 27.842 6.373 1.00 0.00 C ATOM 1120 O ARG A 80 -16.806 27.124 7.314 1.00 0.00 O ATOM 1121 CB ARG A 80 -17.518 26.137 4.591 1.00 0.00 C ATOM 1122 CG ARG A 80 -18.855 26.409 3.897 1.00 0.00 C ATOM 1123 CD ARG A 80 -19.956 26.692 4.921 1.00 0.00 C ATOM 1124 NE ARG A 80 -21.134 25.840 4.645 1.00 0.00 N ATOM 1125 CZ ARG A 80 -21.806 25.839 3.485 1.00 0.00 C ATOM 1126 NH1 ARG A 80 -21.419 26.645 2.487 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -22.864 25.033 3.324 1.00 0.00 N ATOM 0 H ARG A 80 -15.016 26.357 4.830 1.00 0.00 H new ATOM 0 HA ARG A 80 -17.143 28.223 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.884 25.531 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -17.687 25.561 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.753 27.260 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -19.133 25.550 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -19.586 26.500 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -20.240 27.744 4.881 1.00 0.00 H new ATOM 0 HE ARG A 80 -21.455 25.214 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -20.614 27.259 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.930 26.645 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.158 24.420 4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -23.375 25.032 2.441 1.00 0.00 H new ATOM 1141 N GLU A 81 -17.803 28.983 6.499 1.00 0.00 N ATOM 1142 CA GLU A 81 -18.191 29.483 7.806 1.00 0.00 C ATOM 1143 C GLU A 81 -18.982 28.419 8.569 1.00 0.00 C ATOM 1144 O GLU A 81 -19.800 27.711 7.983 1.00 0.00 O ATOM 1145 CB GLU A 81 -18.994 30.779 7.682 1.00 0.00 C ATOM 1146 CG GLU A 81 -18.257 31.800 6.812 1.00 0.00 C ATOM 1147 CD GLU A 81 -19.210 32.456 5.811 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -20.050 31.715 5.257 1.00 0.00 O ATOM 1149 OE2 GLU A 81 -19.076 33.685 5.621 1.00 0.00 O ATOM 0 H GLU A 81 -18.080 29.576 5.716 1.00 0.00 H new ATOM 0 HA GLU A 81 -17.286 29.708 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -19.971 30.565 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -19.169 31.199 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.806 32.564 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.444 31.308 6.277 1.00 0.00 H new ATOM 1156 N PHE A 82 -18.711 28.339 9.863 1.00 0.00 N ATOM 1157 CA PHE A 82 -19.388 27.373 10.711 1.00 0.00 C ATOM 1158 C PHE A 82 -18.934 27.507 12.166 1.00 0.00 C ATOM 1159 O PHE A 82 -17.759 27.310 12.474 1.00 0.00 O ATOM 1160 CB PHE A 82 -19.008 25.983 10.197 1.00 0.00 C ATOM 1161 CG PHE A 82 -19.724 24.837 10.914 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -19.259 24.387 12.111 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -20.826 24.268 10.356 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -19.924 23.324 12.777 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -21.491 23.204 11.022 1.00 0.00 C ATOM 1166 CZ PHE A 82 -21.026 22.755 12.218 1.00 0.00 C ATOM 0 H PHE A 82 -18.032 28.928 10.345 1.00 0.00 H new ATOM 0 HA PHE A 82 -20.465 27.539 10.678 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -19.231 25.927 9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -17.932 25.849 10.304 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.384 24.839 12.555 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -21.196 24.625 9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.555 22.967 13.727 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -22.366 22.752 10.578 1.00 0.00 H new ATOM 0 HZ PHE A 82 -21.532 21.946 12.725 1.00 0.00 H new ATOM 1218 N ALA A 86 -14.404 30.055 9.844 1.00 0.00 N ATOM 1219 CA ALA A 86 -14.297 29.435 8.534 1.00 0.00 C ATOM 1220 C ALA A 86 -13.674 28.045 8.682 1.00 0.00 C ATOM 1221 O ALA A 86 -12.730 27.863 9.449 1.00 0.00 O ATOM 1222 CB ALA A 86 -13.488 30.341 7.604 1.00 0.00 C ATOM 0 HA ALA A 86 -15.283 29.308 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.408 29.876 6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.988 31.305 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.490 30.489 8.018 1.00 0.00 H new ATOM 1228 N LEU A 87 -14.228 27.101 7.935 1.00 0.00 N ATOM 1229 CA LEU A 87 -13.738 25.734 7.974 1.00 0.00 C ATOM 1230 C LEU A 87 -12.744 25.520 6.830 1.00 0.00 C ATOM 1231 O LEU A 87 -13.119 25.053 5.756 1.00 0.00 O ATOM 1232 CB LEU A 87 -14.906 24.746 7.966 1.00 0.00 C ATOM 1233 CG LEU A 87 -15.411 24.293 9.337 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -16.382 23.118 9.203 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -14.244 23.969 10.272 1.00 0.00 C ATOM 0 H LEU A 87 -15.011 27.256 7.300 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.200 25.549 8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.737 25.201 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.605 23.863 7.402 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.964 25.118 9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.726 22.816 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.237 23.420 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.876 22.280 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.631 23.650 11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.643 23.169 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.626 24.857 10.404 1.00 0.00 H new ATOM 1247 N ARG A 88 -11.496 25.873 7.100 1.00 0.00 N ATOM 1248 CA ARG A 88 -10.445 25.726 6.107 1.00 0.00 C ATOM 1249 C ARG A 88 -10.300 24.258 5.701 1.00 0.00 C ATOM 1250 O ARG A 88 -9.994 23.407 6.535 1.00 0.00 O ATOM 1251 CB ARG A 88 -9.105 26.235 6.643 1.00 0.00 C ATOM 1252 CG ARG A 88 -8.513 27.299 5.717 1.00 0.00 C ATOM 1253 CD ARG A 88 -7.036 27.541 6.034 1.00 0.00 C ATOM 1254 NE ARG A 88 -6.825 28.953 6.421 1.00 0.00 N ATOM 1255 CZ ARG A 88 -6.984 29.423 7.666 1.00 0.00 C ATOM 1256 NH1 ARG A 88 -7.355 28.595 8.652 1.00 0.00 N ATOM 1257 NH2 ARG A 88 -6.771 30.720 7.925 1.00 0.00 N ATOM 0 H ARG A 88 -11.189 26.260 7.992 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.725 26.321 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.243 26.652 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.408 25.403 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.619 26.983 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.069 28.230 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.717 26.883 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.425 27.299 5.165 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.541 29.610 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.516 27.607 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.476 28.952 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.488 31.350 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.892 31.077 8.873 1.00 0.00 H new ATOM 1271 N VAL A 89 -10.526 24.006 4.420 1.00 0.00 N ATOM 1272 CA VAL A 89 -10.424 22.656 3.894 1.00 0.00 C ATOM 1273 C VAL A 89 -9.455 22.647 2.709 1.00 0.00 C ATOM 1274 O VAL A 89 -9.647 23.381 1.741 1.00 0.00 O ATOM 1275 CB VAL A 89 -11.814 22.128 3.533 1.00 0.00 C ATOM 1276 CG1 VAL A 89 -11.731 20.713 2.957 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -12.749 22.174 4.744 1.00 0.00 C ATOM 0 H VAL A 89 -10.779 24.714 3.731 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.021 21.981 4.649 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.230 22.778 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.733 20.362 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.116 20.722 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.285 20.046 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.730 21.793 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.338 21.558 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.845 23.203 5.091 1.00 0.00 H new ATOM 1287 N ASP A 90 -8.437 21.807 2.825 1.00 0.00 N ATOM 1288 CA ASP A 90 -7.438 21.693 1.776 1.00 0.00 C ATOM 1289 C ASP A 90 -7.059 20.221 1.597 1.00 0.00 C ATOM 1290 O ASP A 90 -6.880 19.499 2.576 1.00 0.00 O ATOM 1291 CB ASP A 90 -6.169 22.467 2.137 1.00 0.00 C ATOM 1292 CG ASP A 90 -6.232 23.231 3.461 1.00 0.00 C ATOM 1293 OD1 ASP A 90 -6.715 22.627 4.443 1.00 0.00 O ATOM 1294 OD2 ASP A 90 -5.795 24.403 3.462 1.00 0.00 O ATOM 0 H ASP A 90 -8.282 21.199 3.629 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.862 22.104 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.334 21.767 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.953 23.175 1.337 1.00 0.00 H new ATOM 1299 N ASN A 91 -6.949 19.821 0.339 1.00 0.00 N ATOM 1300 CA ASN A 91 -6.595 18.449 0.019 1.00 0.00 C ATOM 1301 C ASN A 91 -5.509 17.969 0.983 1.00 0.00 C ATOM 1302 O ASN A 91 -4.444 18.578 1.078 1.00 0.00 O ATOM 1303 CB ASN A 91 -6.045 18.339 -1.405 1.00 0.00 C ATOM 1304 CG ASN A 91 -6.703 17.182 -2.159 1.00 0.00 C ATOM 1305 OD1 ASN A 91 -5.965 16.077 -2.204 1.00 0.00 O flip ATOM 1306 ND2 ASN A 91 -7.807 17.286 -2.667 1.00 0.00 N flip ATOM 0 H ASN A 91 -7.099 20.423 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.495 17.840 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.220 19.273 -1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.966 18.189 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.321 18.164 -2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.216 16.495 -3.164 1.00 0.00 H new ATOM 1313 N ALA A 92 -5.815 16.881 1.675 1.00 0.00 N ATOM 1314 CA ALA A 92 -4.878 16.312 2.629 1.00 0.00 C ATOM 1315 C ALA A 92 -3.634 15.821 1.885 1.00 0.00 C ATOM 1316 O ALA A 92 -2.621 15.502 2.505 1.00 0.00 O ATOM 1317 CB ALA A 92 -5.565 15.195 3.416 1.00 0.00 C ATOM 0 H ALA A 92 -6.699 16.378 1.594 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.557 17.066 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.862 14.768 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.424 15.601 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.899 14.418 2.728 1.00 0.00 H new ATOM 1323 N ALA A 93 -3.752 15.775 0.566 1.00 0.00 N ATOM 1324 CA ALA A 93 -2.651 15.328 -0.269 1.00 0.00 C ATOM 1325 C ALA A 93 -1.788 16.532 -0.655 1.00 0.00 C ATOM 1326 O ALA A 93 -1.074 16.493 -1.655 1.00 0.00 O ATOM 1327 CB ALA A 93 -3.202 14.591 -1.491 1.00 0.00 C ATOM 0 H ALA A 93 -4.594 16.040 0.055 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.017 14.628 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.375 14.256 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.783 13.728 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.841 15.263 -2.063 1.00 0.00 H new ATOM 1333 N SER A 94 -1.882 17.572 0.160 1.00 0.00 N ATOM 1334 CA SER A 94 -1.119 18.785 -0.083 1.00 0.00 C ATOM 1335 C SER A 94 0.322 18.602 0.397 1.00 0.00 C ATOM 1336 O SER A 94 0.586 17.791 1.284 1.00 0.00 O ATOM 1337 CB SER A 94 -1.761 19.988 0.610 1.00 0.00 C ATOM 1338 OG SER A 94 -1.265 21.224 0.103 1.00 0.00 O ATOM 0 H SER A 94 -2.475 17.600 0.990 1.00 0.00 H new ATOM 0 HA SER A 94 -1.116 18.978 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.842 19.949 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.570 19.933 1.682 1.00 0.00 H new ATOM 0 HG SER A 94 -1.701 21.967 0.570 1.00 0.00 H new ATOM 1344 N GLU A 95 1.216 19.368 -0.209 1.00 0.00 N ATOM 1345 CA GLU A 95 2.623 19.301 0.146 1.00 0.00 C ATOM 1346 C GLU A 95 2.838 19.827 1.566 1.00 0.00 C ATOM 1347 O GLU A 95 3.719 19.351 2.281 1.00 0.00 O ATOM 1348 CB GLU A 95 3.480 20.073 -0.860 1.00 0.00 C ATOM 1349 CG GLU A 95 3.991 19.149 -1.968 1.00 0.00 C ATOM 1350 CD GLU A 95 5.184 18.322 -1.485 1.00 0.00 C ATOM 1351 OE1 GLU A 95 6.156 18.950 -1.013 1.00 0.00 O ATOM 1352 OE2 GLU A 95 5.097 17.080 -1.600 1.00 0.00 O ATOM 0 H GLU A 95 0.993 20.039 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 95 2.936 18.257 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.894 20.882 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.324 20.533 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.190 18.484 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.282 19.742 -2.835 1.00 0.00 H new ATOM 1359 N LYS A 96 2.018 20.801 1.933 1.00 0.00 N ATOM 1360 CA LYS A 96 2.108 21.396 3.256 1.00 0.00 C ATOM 1361 C LYS A 96 1.382 20.501 4.263 1.00 0.00 C ATOM 1362 O LYS A 96 1.794 20.400 5.417 1.00 0.00 O ATOM 1363 CB LYS A 96 1.593 22.837 3.230 1.00 0.00 C ATOM 1364 CG LYS A 96 0.070 22.873 3.088 1.00 0.00 C ATOM 1365 CD LYS A 96 -0.414 24.280 2.730 1.00 0.00 C ATOM 1366 CE LYS A 96 -0.631 25.121 3.989 1.00 0.00 C ATOM 1367 NZ LYS A 96 -2.067 25.435 4.161 1.00 0.00 N ATOM 0 H LYS A 96 1.288 21.193 1.338 1.00 0.00 H new ATOM 0 HA LYS A 96 3.148 21.459 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.889 23.349 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.052 23.376 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.244 22.169 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.394 22.551 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.317 24.767 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.345 24.216 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.264 24.581 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.056 26.045 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.197 26.006 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.407 25.969 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.608 24.551 4.248 1.00 0.00 H new ATOM 1381 N ASN A 97 0.315 19.876 3.789 1.00 0.00 N ATOM 1382 CA ASN A 97 -0.472 18.993 4.633 1.00 0.00 C ATOM 1383 C ASN A 97 0.311 17.703 4.885 1.00 0.00 C ATOM 1384 O ASN A 97 0.025 16.974 5.834 1.00 0.00 O ATOM 1385 CB ASN A 97 -1.794 18.621 3.960 1.00 0.00 C ATOM 1386 CG ASN A 97 -2.801 19.769 4.054 1.00 0.00 C ATOM 1387 OD1 ASN A 97 -2.627 20.721 4.797 1.00 0.00 O ATOM 1388 ND2 ASN A 97 -3.860 19.627 3.262 1.00 0.00 N ATOM 0 H ASN A 97 -0.023 19.963 2.831 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.678 19.515 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.616 18.374 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.208 17.730 4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.589 20.340 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.943 18.805 2.664 1.00 0.00 H new ATOM 1395 N LYS A 98 1.283 17.460 4.018 1.00 0.00 N ATOM 1396 CA LYS A 98 2.109 16.271 4.134 1.00 0.00 C ATOM 1397 C LYS A 98 2.908 16.335 5.437 1.00 0.00 C ATOM 1398 O LYS A 98 3.083 15.322 6.112 1.00 0.00 O ATOM 1399 CB LYS A 98 2.979 16.099 2.887 1.00 0.00 C ATOM 1400 CG LYS A 98 3.212 14.618 2.581 1.00 0.00 C ATOM 1401 CD LYS A 98 4.055 14.446 1.316 1.00 0.00 C ATOM 1402 CE LYS A 98 4.009 13.000 0.819 1.00 0.00 C ATOM 1403 NZ LYS A 98 5.226 12.269 1.237 1.00 0.00 N ATOM 0 H LYS A 98 1.517 18.067 3.232 1.00 0.00 H new ATOM 0 HA LYS A 98 1.486 15.378 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.498 16.579 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.936 16.598 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.714 14.143 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.254 14.114 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.688 15.114 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.087 14.731 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.124 12.501 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.924 12.985 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.178 11.289 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.066 12.736 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.291 12.267 2.275 1.00 0.00 H new ATOM 1417 N GLU A 99 3.370 17.536 5.752 1.00 0.00 N ATOM 1418 CA GLU A 99 4.146 17.745 6.962 1.00 0.00 C ATOM 1419 C GLU A 99 3.281 17.489 8.198 1.00 0.00 C ATOM 1420 O GLU A 99 3.755 16.930 9.186 1.00 0.00 O ATOM 1421 CB GLU A 99 4.744 19.153 6.994 1.00 0.00 C ATOM 1422 CG GLU A 99 6.186 19.126 7.502 1.00 0.00 C ATOM 1423 CD GLU A 99 6.668 20.533 7.862 1.00 0.00 C ATOM 1424 OE1 GLU A 99 6.214 21.037 8.911 1.00 0.00 O ATOM 1425 OE2 GLU A 99 7.480 21.072 7.079 1.00 0.00 O ATOM 0 H GLU A 99 3.222 18.374 5.190 1.00 0.00 H new ATOM 0 HA GLU A 99 4.973 17.035 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.715 19.587 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.140 19.794 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.255 18.479 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.836 18.699 6.738 1.00 0.00 H new ATOM 1432 N GLU A 100 2.029 17.910 8.102 1.00 0.00 N ATOM 1433 CA GLU A 100 1.094 17.733 9.200 1.00 0.00 C ATOM 1434 C GLU A 100 0.709 16.259 9.337 1.00 0.00 C ATOM 1435 O GLU A 100 0.645 15.731 10.446 1.00 0.00 O ATOM 1436 CB GLU A 100 -0.147 18.608 9.010 1.00 0.00 C ATOM 1437 CG GLU A 100 0.208 20.093 9.117 1.00 0.00 C ATOM 1438 CD GLU A 100 -0.529 20.910 8.054 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -1.694 20.556 7.772 1.00 0.00 O ATOM 1440 OE2 GLU A 100 0.089 21.871 7.547 1.00 0.00 O ATOM 0 H GLU A 100 1.640 18.373 7.281 1.00 0.00 H new ATOM 0 HA GLU A 100 1.583 18.048 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.593 18.406 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.894 18.354 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.051 20.462 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.284 20.223 9.000 1.00 0.00 H new ATOM 1447 N LEU A 101 0.463 15.636 8.194 1.00 0.00 N ATOM 1448 CA LEU A 101 0.086 14.233 8.172 1.00 0.00 C ATOM 1449 C LEU A 101 1.234 13.392 8.735 1.00 0.00 C ATOM 1450 O LEU A 101 1.003 12.361 9.365 1.00 0.00 O ATOM 1451 CB LEU A 101 -0.349 13.816 6.766 1.00 0.00 C ATOM 1452 CG LEU A 101 -1.807 14.105 6.402 1.00 0.00 C ATOM 1453 CD1 LEU A 101 -1.901 14.860 5.075 1.00 0.00 C ATOM 1454 CD2 LEU A 101 -2.635 12.819 6.390 1.00 0.00 C ATOM 0 H LEU A 101 0.517 16.077 7.276 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.780 14.062 8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.292 14.321 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.173 12.746 6.655 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.229 14.752 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.948 15.053 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.367 15.807 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.455 14.259 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.667 13.053 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.222 12.127 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.607 12.359 7.378 1.00 0.00 H new ATOM 1466 N LYS A 102 2.447 13.863 8.487 1.00 0.00 N ATOM 1467 CA LYS A 102 3.632 13.168 8.961 1.00 0.00 C ATOM 1468 C LYS A 102 3.471 12.853 10.449 1.00 0.00 C ATOM 1469 O LYS A 102 4.027 11.873 10.943 1.00 0.00 O ATOM 1470 CB LYS A 102 4.892 13.973 8.635 1.00 0.00 C ATOM 1471 CG LYS A 102 6.131 13.328 9.259 1.00 0.00 C ATOM 1472 CD LYS A 102 7.336 14.268 9.182 1.00 0.00 C ATOM 1473 CE LYS A 102 7.689 14.821 10.564 1.00 0.00 C ATOM 1474 NZ LYS A 102 8.872 14.123 11.115 1.00 0.00 N ATOM 0 H LYS A 102 2.635 14.718 7.964 1.00 0.00 H new ATOM 0 HA LYS A 102 3.748 12.216 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.017 14.038 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.783 14.992 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.929 13.075 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.359 12.395 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.193 13.734 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.117 15.091 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.890 15.890 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.841 14.700 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.098 14.511 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.667 13.107 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.683 14.260 10.479 1.00 0.00 H new ATOM 1488 N SER A 103 2.708 13.701 11.122 1.00 0.00 N ATOM 1489 CA SER A 103 2.468 13.525 12.544 1.00 0.00 C ATOM 1490 C SER A 103 1.294 12.568 12.762 1.00 0.00 C ATOM 1491 O SER A 103 1.301 11.776 13.703 1.00 0.00 O ATOM 1492 CB SER A 103 2.193 14.867 13.227 1.00 0.00 C ATOM 1493 OG SER A 103 3.355 15.390 13.864 1.00 0.00 O ATOM 0 H SER A 103 2.248 14.512 10.709 1.00 0.00 H new ATOM 0 HA SER A 103 3.365 13.098 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.832 15.582 12.488 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.400 14.743 13.965 1.00 0.00 H new ATOM 0 HG SER A 103 3.139 16.247 14.286 1.00 0.00 H new ATOM 1499 N LEU A 104 0.315 12.673 11.876 1.00 0.00 N ATOM 1500 CA LEU A 104 -0.863 11.827 11.960 1.00 0.00 C ATOM 1501 C LEU A 104 -0.579 10.493 11.265 1.00 0.00 C ATOM 1502 O LEU A 104 -1.480 9.674 11.093 1.00 0.00 O ATOM 1503 CB LEU A 104 -2.089 12.558 11.408 1.00 0.00 C ATOM 1504 CG LEU A 104 -3.304 12.624 12.335 1.00 0.00 C ATOM 1505 CD1 LEU A 104 -2.886 12.983 13.762 1.00 0.00 C ATOM 1506 CD2 LEU A 104 -4.359 13.587 11.787 1.00 0.00 C ATOM 0 H LEU A 104 0.313 13.331 11.097 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.096 11.602 13.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.796 13.576 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.391 12.071 10.480 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.760 11.634 12.373 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.769 13.023 14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.198 12.227 14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.393 13.955 13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.212 13.616 12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.930 14.585 11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.687 13.247 10.805 1.00 0.00 H new