USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 21 ASN : amide:sc= -0.822! C(o=-0.073!,f=-12!) USER MOD Set 1.2: A 115 TYR OH : rot 15:sc= 0.749 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -6.04! C(o=-5.3!,f=-24!) USER MOD Set 2.2: A 106 TYR OH : rot 130:sc= 0.732 USER MOD Set 3.1: A 30 CYS SG : rot 170:sc= -1.91 USER MOD Set 3.2: A 81 LYS NZ :NH3+ 149:sc= 1.24! (180deg=-0.625!) USER MOD Set 4.1: A 71 HIS : no HD1:sc= -5.44! C(o=-5.5!,f=-11!) USER MOD Set 4.2: A 73 TYR OH : rot -27:sc= -0.062 USER MOD Set 5.1: A 60 SER OG : rot -112:sc= -0.958! USER MOD Set 5.2: A 62 LYS NZ :NH3+ 166:sc= -0.953! (180deg=-0.568!) USER MOD Set 5.3: A 72 HIS : no HD1:sc= -9.93! C(o=-12!,f=-24!) USER MOD Single : A 5 SER OG : rot 16:sc= 0.572 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0251 F(o=-1.7,f=-0.025) USER MOD Single : A 12 ASN : amide:sc= -0.762 K(o=-0.76,f=-1.6) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= -0.239 (180deg=-0.816) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.406 (180deg=-0.592) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -4.47! (180deg=-4.7!) USER MOD Single : A 26 SER OG : rot 95:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= 0.0326 X(o=0.033,f=-0.092) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -0.857! (180deg=-6.86!) USER MOD Single : A 43 TYR OH : rot -23:sc= 1.16 USER MOD Single : A 61 THR OG1 : rot -11:sc= -1.42! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0.613 (180deg=-0.865!) USER MOD Single : A 70 THR OG1 : rot 155:sc= 1.23 USER MOD Single : A 74 MET CE :methyl 136:sc= -2.51 (180deg=-6.96!) USER MOD Single : A 77 HIS : no HE2:sc= -4.36! C(o=-4.4!,f=-8.8!) USER MOD Single : A 80 SER OG : rot 76:sc= 0.48 USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.235) USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= -0.115 (180deg=-2.89!) USER MOD Single : A 92 LYS NZ :NH3+ -110:sc= -3.65! (180deg=-8.49!) USER MOD Single : A 94 SER OG : rot 121:sc= 0.467 USER MOD Single : A 99 GLN : amide:sc= -3.21! C(o=-3.2!,f=-15!) USER MOD Single : A 104 ASN : amide:sc= -4.84! C(o=-4.8!,f=-15!) USER MOD Single : A 105 MET CE :methyl 161:sc= -3.69! (180deg=-4.8!) USER MOD Single : A 113 LYS NZ :NH3+ -156:sc= -0.0301 (180deg=-0.837) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 0.229 (180deg=-0.208) USER MOD Single : A 121 LYS NZ :NH3+ -148:sc= -0.13 (180deg=-0.809) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.273 -1.041 16.833 1.00 0.00 N ATOM 43 CA SER A 5 0.487 -0.403 15.793 1.00 0.00 C ATOM 44 C SER A 5 1.364 -0.025 14.610 1.00 0.00 C ATOM 45 O SER A 5 1.019 0.856 13.833 1.00 0.00 O ATOM 46 CB SER A 5 -0.202 0.836 16.354 1.00 0.00 C ATOM 47 OG SER A 5 -0.617 0.561 17.692 1.00 0.00 O ATOM 0 HA SER A 5 -0.269 -1.108 15.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.478 1.687 16.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.061 1.102 15.739 1.00 0.00 H new ATOM 0 HG SER A 5 -0.150 -0.235 18.022 1.00 0.00 H new ATOM 53 N GLY A 6 2.523 -0.651 14.507 1.00 0.00 N ATOM 54 CA GLY A 6 3.461 -0.314 13.452 1.00 0.00 C ATOM 55 C GLY A 6 2.840 -0.518 12.079 1.00 0.00 C ATOM 56 O GLY A 6 2.784 0.420 11.276 1.00 0.00 O ATOM 0 H GLY A 6 2.835 -1.390 15.136 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.777 0.723 13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.355 -0.931 13.545 1.00 0.00 H new ATOM 60 N ASP A 7 2.277 -1.699 11.845 1.00 0.00 N ATOM 61 CA ASP A 7 1.608 -1.971 10.569 1.00 0.00 C ATOM 62 C ASP A 7 0.438 -1.031 10.428 1.00 0.00 C ATOM 63 O ASP A 7 0.202 -0.454 9.368 1.00 0.00 O ATOM 64 CB ASP A 7 1.096 -3.423 10.505 1.00 0.00 C ATOM 65 CG ASP A 7 2.245 -4.409 10.417 1.00 0.00 C ATOM 66 OD1 ASP A 7 3.366 -3.988 10.245 1.00 0.00 O ATOM 67 OD2 ASP A 7 1.997 -5.587 10.535 1.00 0.00 O ATOM 0 H ASP A 7 2.268 -2.474 12.508 1.00 0.00 H new ATOM 0 HA ASP A 7 2.325 -1.825 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.496 -3.639 11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.444 -3.543 9.640 1.00 0.00 H new ATOM 72 N THR A 8 -0.244 -0.836 11.534 1.00 0.00 N ATOM 73 CA THR A 8 -1.380 0.048 11.588 1.00 0.00 C ATOM 74 C THR A 8 -0.914 1.461 11.228 1.00 0.00 C ATOM 75 O THR A 8 -1.498 2.125 10.365 1.00 0.00 O ATOM 76 CB THR A 8 -1.914 0.037 13.027 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.986 -1.314 13.495 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.305 0.667 13.075 1.00 0.00 C ATOM 0 H THR A 8 -0.024 -1.288 12.422 1.00 0.00 H new ATOM 0 HA THR A 8 -2.158 -0.268 10.893 1.00 0.00 H new ATOM 0 HB THR A 8 -1.241 0.612 13.663 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.325 -1.324 14.414 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.675 0.654 14.100 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.250 1.697 12.722 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.983 0.100 12.437 1.00 0.00 H new ATOM 86 N GLN A 9 0.187 1.868 11.828 1.00 0.00 N ATOM 87 CA GLN A 9 0.783 3.151 11.549 1.00 0.00 C ATOM 88 C GLN A 9 1.242 3.207 10.117 1.00 0.00 C ATOM 89 O GLN A 9 0.978 4.177 9.414 1.00 0.00 O ATOM 90 CB GLN A 9 1.976 3.374 12.471 1.00 0.00 C ATOM 91 CG GLN A 9 1.495 3.828 13.844 1.00 0.00 C ATOM 92 CD GLN A 9 1.270 5.337 13.869 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.090 5.987 12.757 1.00 0.00 O flip ATOM 94 NE2 GLN A 9 1.274 5.944 14.940 1.00 0.00 N flip ATOM 0 H GLN A 9 0.691 1.316 12.522 1.00 0.00 H new ATOM 0 HA GLN A 9 0.039 3.930 11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.551 2.453 12.564 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.642 4.124 12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.568 3.314 14.098 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.230 3.553 14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.415 5.436 15.813 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.136 6.955 14.954 1.00 0.00 H new ATOM 103 N LEU A 10 1.900 2.147 9.666 1.00 0.00 N ATOM 104 CA LEU A 10 2.361 2.115 8.298 1.00 0.00 C ATOM 105 C LEU A 10 1.179 2.166 7.367 1.00 0.00 C ATOM 106 O LEU A 10 1.171 2.935 6.413 1.00 0.00 O ATOM 107 CB LEU A 10 3.229 0.893 8.007 1.00 0.00 C ATOM 108 CG LEU A 10 4.544 0.982 8.802 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.503 -0.092 8.321 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.191 2.366 8.651 1.00 0.00 C ATOM 0 H LEU A 10 2.120 1.318 10.219 1.00 0.00 H new ATOM 0 HA LEU A 10 2.991 2.990 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.693 -0.017 8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.443 0.834 6.940 1.00 0.00 H new ATOM 0 HG LEU A 10 4.319 0.828 9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.434 -0.028 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.055 -1.074 8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.710 0.054 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.118 2.399 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.407 2.554 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.508 3.130 9.023 1.00 0.00 H new ATOM 122 N PHE A 11 0.131 1.441 7.716 1.00 0.00 N ATOM 123 CA PHE A 11 -1.108 1.522 6.971 1.00 0.00 C ATOM 124 C PHE A 11 -1.641 2.934 7.011 1.00 0.00 C ATOM 125 O PHE A 11 -1.983 3.507 5.978 1.00 0.00 O ATOM 126 CB PHE A 11 -2.146 0.577 7.563 1.00 0.00 C ATOM 127 CG PHE A 11 -3.484 0.828 6.895 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.747 0.315 5.620 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.454 1.598 7.553 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.975 0.570 5.006 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.684 1.848 6.939 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.946 1.337 5.666 1.00 0.00 C ATOM 0 H PHE A 11 0.115 0.795 8.505 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.910 1.234 5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.840 -0.459 7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.227 0.734 8.639 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.001 -0.278 5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.250 1.998 8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.177 0.176 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.432 2.437 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.896 1.532 5.190 1.00 0.00 H new ATOM 142 N ASN A 12 -1.678 3.512 8.203 1.00 0.00 N ATOM 143 CA ASN A 12 -2.188 4.867 8.358 1.00 0.00 C ATOM 144 C ASN A 12 -1.338 5.796 7.546 1.00 0.00 C ATOM 145 O ASN A 12 -1.845 6.671 6.833 1.00 0.00 O ATOM 146 CB ASN A 12 -2.085 5.297 9.819 1.00 0.00 C ATOM 147 CG ASN A 12 -3.054 4.524 10.686 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.137 4.130 10.230 1.00 0.00 O ATOM 149 ND2 ASN A 12 -2.728 4.264 11.908 1.00 0.00 N ATOM 0 H ASN A 12 -1.365 3.071 9.068 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.228 4.897 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.067 5.139 10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.290 6.364 9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.363 3.732 12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.835 4.591 12.278 1.00 0.00 H new ATOM 156 N ARG A 13 -0.046 5.603 7.636 1.00 0.00 N ATOM 157 CA ARG A 13 0.887 6.379 6.866 1.00 0.00 C ATOM 158 C ARG A 13 0.713 6.093 5.375 1.00 0.00 C ATOM 159 O ARG A 13 0.569 7.006 4.574 1.00 0.00 O ATOM 160 CB ARG A 13 2.301 6.015 7.315 1.00 0.00 C ATOM 161 CG ARG A 13 2.571 6.593 8.721 1.00 0.00 C ATOM 162 CD ARG A 13 3.911 6.050 9.236 1.00 0.00 C ATOM 163 NE ARG A 13 4.291 6.639 10.516 1.00 0.00 N ATOM 164 CZ ARG A 13 4.912 7.815 10.593 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.079 8.538 9.518 1.00 0.00 N ATOM 166 NH2 ARG A 13 5.336 8.247 11.748 1.00 0.00 N ATOM 0 H ARG A 13 0.385 4.906 8.243 1.00 0.00 H new ATOM 0 HA ARG A 13 0.708 7.442 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.420 4.932 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.030 6.407 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.596 7.682 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.766 6.317 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.845 4.967 9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.689 6.252 8.500 1.00 0.00 H new ATOM 0 HE ARG A 13 4.075 6.136 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.734 8.202 8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.555 9.438 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.192 7.685 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.812 9.147 11.812 1.00 0.00 H new ATOM 180 N ALA A 14 0.655 4.815 5.022 1.00 0.00 N ATOM 181 CA ALA A 14 0.513 4.416 3.623 1.00 0.00 C ATOM 182 C ALA A 14 -0.810 4.864 3.041 1.00 0.00 C ATOM 183 O ALA A 14 -0.849 5.473 1.970 1.00 0.00 O ATOM 184 CB ALA A 14 0.654 2.899 3.479 1.00 0.00 C ATOM 0 H ALA A 14 0.704 4.038 5.681 1.00 0.00 H new ATOM 0 HA ALA A 14 1.311 4.908 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.545 2.621 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.636 2.589 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.119 2.404 4.067 1.00 0.00 H new ATOM 190 N VAL A 15 -1.890 4.551 3.734 1.00 0.00 N ATOM 191 CA VAL A 15 -3.213 4.885 3.257 1.00 0.00 C ATOM 192 C VAL A 15 -3.374 6.401 3.154 1.00 0.00 C ATOM 193 O VAL A 15 -3.892 6.917 2.158 1.00 0.00 O ATOM 194 CB VAL A 15 -4.290 4.252 4.173 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.590 5.146 5.379 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.578 3.995 3.384 1.00 0.00 C ATOM 0 H VAL A 15 -1.873 4.065 4.631 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.347 4.472 2.257 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.897 3.303 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.350 4.674 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.680 5.288 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.954 6.113 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.325 3.550 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.957 4.938 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.369 3.314 2.559 1.00 0.00 H new ATOM 206 N SER A 16 -2.852 7.119 4.142 1.00 0.00 N ATOM 207 CA SER A 16 -2.923 8.557 4.124 1.00 0.00 C ATOM 208 C SER A 16 -2.177 9.098 2.922 1.00 0.00 C ATOM 209 O SER A 16 -2.672 9.977 2.212 1.00 0.00 O ATOM 210 CB SER A 16 -2.335 9.129 5.425 1.00 0.00 C ATOM 211 OG SER A 16 -2.422 10.555 5.431 1.00 0.00 O ATOM 0 H SER A 16 -2.380 6.723 4.955 1.00 0.00 H new ATOM 0 HA SER A 16 -3.967 8.862 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.871 8.723 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.294 8.822 5.526 1.00 0.00 H new ATOM 0 HG SER A 16 -2.045 10.902 6.266 1.00 0.00 H new ATOM 217 N MET A 17 -0.979 8.595 2.693 1.00 0.00 N ATOM 218 CA MET A 17 -0.199 9.086 1.582 1.00 0.00 C ATOM 219 C MET A 17 -0.828 8.722 0.239 1.00 0.00 C ATOM 220 O MET A 17 -0.842 9.541 -0.686 1.00 0.00 O ATOM 221 CB MET A 17 1.251 8.606 1.649 1.00 0.00 C ATOM 222 CG MET A 17 1.913 9.157 2.915 1.00 0.00 C ATOM 223 SD MET A 17 3.702 8.847 2.864 1.00 0.00 S ATOM 224 CE MET A 17 3.664 7.067 3.206 1.00 0.00 C ATOM 0 H MET A 17 -0.536 7.864 3.249 1.00 0.00 H new ATOM 0 HA MET A 17 -0.194 10.173 1.662 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.285 7.517 1.653 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.797 8.939 0.766 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.723 10.227 2.999 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.479 8.686 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.666 6.724 3.463 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.989 6.871 4.039 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.314 6.534 2.322 1.00 0.00 H new ATOM 234 N VAL A 18 -1.300 7.481 0.109 1.00 0.00 N ATOM 235 CA VAL A 18 -1.860 7.034 -1.167 1.00 0.00 C ATOM 236 C VAL A 18 -3.229 7.630 -1.473 1.00 0.00 C ATOM 237 O VAL A 18 -3.455 8.104 -2.580 1.00 0.00 O ATOM 238 CB VAL A 18 -1.871 5.506 -1.305 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.440 4.973 -1.234 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.712 4.872 -0.194 1.00 0.00 C ATOM 0 H VAL A 18 -1.307 6.782 0.852 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.179 7.424 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.311 5.246 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.451 3.887 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.150 5.405 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.003 5.246 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.708 3.788 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.292 5.136 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.736 5.240 -0.258 1.00 0.00 H new ATOM 250 N GLU A 19 -4.142 7.633 -0.498 1.00 0.00 N ATOM 251 CA GLU A 19 -5.480 8.162 -0.764 1.00 0.00 C ATOM 252 C GLU A 19 -5.379 9.624 -1.147 1.00 0.00 C ATOM 253 O GLU A 19 -6.262 10.163 -1.809 1.00 0.00 O ATOM 254 CB GLU A 19 -6.388 8.094 0.464 1.00 0.00 C ATOM 255 CG GLU A 19 -6.747 6.664 0.877 1.00 0.00 C ATOM 256 CD GLU A 19 -7.722 6.732 2.061 1.00 0.00 C ATOM 257 OE1 GLU A 19 -8.028 7.846 2.499 1.00 0.00 O ATOM 258 OE2 GLU A 19 -8.161 5.700 2.507 1.00 0.00 O ATOM 0 H GLU A 19 -3.988 7.288 0.450 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.902 7.552 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.895 8.592 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.305 8.646 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.201 6.131 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.849 6.113 1.156 1.00 0.00 H new ATOM 265 N LYS A 20 -4.450 10.301 -0.511 1.00 0.00 N ATOM 266 CA LYS A 20 -4.371 11.745 -0.585 1.00 0.00 C ATOM 267 C LYS A 20 -3.412 12.193 -1.681 1.00 0.00 C ATOM 268 O LYS A 20 -3.298 13.385 -1.960 1.00 0.00 O ATOM 269 CB LYS A 20 -3.955 12.304 0.782 1.00 0.00 C ATOM 270 CG LYS A 20 -4.877 11.695 1.866 1.00 0.00 C ATOM 271 CD LYS A 20 -6.327 12.177 1.673 1.00 0.00 C ATOM 272 CE LYS A 20 -7.280 10.970 1.606 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.139 10.115 2.827 1.00 0.00 N ATOM 0 H LYS A 20 -3.731 9.870 0.070 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.354 12.139 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.913 12.059 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.033 13.391 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.839 10.607 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.521 11.980 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.614 12.832 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.405 12.763 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.309 11.318 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.064 10.379 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.601 9.198 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.130 9.963 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.587 10.589 3.637 1.00 0.00 H new ATOM 287 N ASN A 21 -2.774 11.235 -2.340 1.00 0.00 N ATOM 288 CA ASN A 21 -1.876 11.542 -3.451 1.00 0.00 C ATOM 289 C ASN A 21 -2.678 11.989 -4.667 1.00 0.00 C ATOM 290 O ASN A 21 -3.629 11.327 -5.073 1.00 0.00 O ATOM 291 CB ASN A 21 -0.995 10.333 -3.792 1.00 0.00 C ATOM 292 CG ASN A 21 -0.286 10.538 -5.132 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.936 10.638 -6.172 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.006 10.621 -5.168 1.00 0.00 N ATOM 0 H ASN A 21 -2.859 10.241 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.219 12.358 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.257 10.182 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.607 9.432 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.483 10.769 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.547 10.538 -4.307 1.00 0.00 H new ATOM 301 N LYS A 22 -2.352 13.165 -5.168 1.00 0.00 N ATOM 302 CA LYS A 22 -3.097 13.798 -6.245 1.00 0.00 C ATOM 303 C LYS A 22 -3.285 12.882 -7.457 1.00 0.00 C ATOM 304 O LYS A 22 -4.399 12.776 -8.004 1.00 0.00 O ATOM 305 CB LYS A 22 -2.410 15.123 -6.651 1.00 0.00 C ATOM 306 CG LYS A 22 -1.050 14.881 -7.374 1.00 0.00 C ATOM 307 CD LYS A 22 -0.049 14.089 -6.491 1.00 0.00 C ATOM 308 CE LYS A 22 0.547 14.969 -5.359 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.067 16.324 -5.337 1.00 0.00 N ATOM 0 H LYS A 22 -1.558 13.714 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.098 14.010 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.073 15.689 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.244 15.732 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.225 14.335 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.610 15.840 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.554 13.228 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.758 13.703 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.389 14.482 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.624 15.059 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.524 16.964 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.137 16.689 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.018 16.268 -4.919 1.00 0.00 H new ATOM 323 N ASP A 23 -2.218 12.224 -7.884 1.00 0.00 N ATOM 324 CA ASP A 23 -2.308 11.314 -9.015 1.00 0.00 C ATOM 325 C ASP A 23 -3.095 10.077 -8.631 1.00 0.00 C ATOM 326 O ASP A 23 -4.030 9.686 -9.326 1.00 0.00 O ATOM 327 CB ASP A 23 -0.915 10.922 -9.516 1.00 0.00 C ATOM 328 CG ASP A 23 -1.018 10.246 -10.879 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.538 10.863 -11.785 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.564 9.135 -11.010 1.00 0.00 O ATOM 0 H ASP A 23 -1.289 12.302 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.828 11.827 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.284 11.808 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.440 10.249 -8.803 1.00 0.00 H new ATOM 335 N ILE A 24 -2.800 9.541 -7.460 1.00 0.00 N ATOM 336 CA ILE A 24 -3.520 8.380 -6.963 1.00 0.00 C ATOM 337 C ILE A 24 -4.990 8.718 -6.769 1.00 0.00 C ATOM 338 O ILE A 24 -5.858 7.987 -7.226 1.00 0.00 O ATOM 339 CB ILE A 24 -2.892 7.839 -5.671 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.506 7.261 -5.973 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.773 6.732 -5.093 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.780 6.949 -4.663 1.00 0.00 C ATOM 0 H ILE A 24 -2.071 9.888 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.446 7.587 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.804 8.654 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.602 6.355 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.925 7.972 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.324 6.351 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.763 7.132 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.862 5.922 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.205 6.538 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.670 7.864 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.357 6.222 -4.091 1.00 0.00 H new ATOM 354 N ARG A 25 -5.270 9.888 -6.209 1.00 0.00 N ATOM 355 CA ARG A 25 -6.654 10.328 -6.101 1.00 0.00 C ATOM 356 C ARG A 25 -7.296 10.288 -7.465 1.00 0.00 C ATOM 357 O ARG A 25 -8.413 9.785 -7.636 1.00 0.00 O ATOM 358 CB ARG A 25 -6.720 11.772 -5.607 1.00 0.00 C ATOM 359 CG ARG A 25 -6.503 11.863 -4.096 1.00 0.00 C ATOM 360 CD ARG A 25 -6.490 13.342 -3.699 1.00 0.00 C ATOM 361 NE ARG A 25 -7.582 14.050 -4.385 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.808 14.185 -3.868 1.00 0.00 C ATOM 363 NH1 ARG A 25 -9.067 13.737 -2.676 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.740 14.784 -4.560 1.00 0.00 N ATOM 0 H ARG A 25 -4.577 10.534 -5.832 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.168 9.669 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.964 12.367 -6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.690 12.200 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.296 11.335 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.562 11.387 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.602 13.439 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.532 13.790 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.395 14.458 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.334 13.281 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.003 13.841 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.531 15.146 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.677 14.889 -4.170 1.00 0.00 H new ATOM 378 N SER A 26 -6.572 10.780 -8.435 1.00 0.00 N ATOM 379 CA SER A 26 -7.019 10.746 -9.797 1.00 0.00 C ATOM 380 C SER A 26 -7.168 9.297 -10.268 1.00 0.00 C ATOM 381 O SER A 26 -8.178 8.929 -10.876 1.00 0.00 O ATOM 382 CB SER A 26 -6.033 11.511 -10.659 1.00 0.00 C ATOM 383 OG SER A 26 -5.818 12.814 -10.082 1.00 0.00 O ATOM 0 H SER A 26 -5.659 11.214 -8.301 1.00 0.00 H new ATOM 0 HA SER A 26 -7.997 11.219 -9.881 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.090 10.968 -10.725 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.417 11.608 -11.675 1.00 0.00 H new ATOM 0 HG SER A 26 -5.024 12.791 -9.509 1.00 0.00 H new ATOM 389 N LEU A 27 -6.200 8.459 -9.906 1.00 0.00 N ATOM 390 CA LEU A 27 -6.265 7.033 -10.229 1.00 0.00 C ATOM 391 C LEU A 27 -7.466 6.414 -9.527 1.00 0.00 C ATOM 392 O LEU A 27 -8.196 5.606 -10.104 1.00 0.00 O ATOM 393 CB LEU A 27 -4.992 6.314 -9.755 1.00 0.00 C ATOM 394 CG LEU A 27 -3.762 6.817 -10.531 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.496 6.159 -9.979 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.904 6.489 -12.015 1.00 0.00 C ATOM 0 H LEU A 27 -5.365 8.739 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.357 6.924 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.849 6.483 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.102 5.239 -9.895 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.690 7.898 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.628 6.519 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.385 6.412 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.572 5.077 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.027 6.850 -12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.989 5.410 -12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.797 6.973 -12.411 1.00 0.00 H new ATOM 408 N LEU A 28 -7.665 6.827 -8.288 1.00 0.00 N ATOM 409 CA LEU A 28 -8.748 6.329 -7.450 1.00 0.00 C ATOM 410 C LEU A 28 -10.068 6.984 -7.837 1.00 0.00 C ATOM 411 O LEU A 28 -11.101 6.760 -7.191 1.00 0.00 O ATOM 412 CB LEU A 28 -8.447 6.620 -5.962 1.00 0.00 C ATOM 413 CG LEU A 28 -7.210 5.839 -5.485 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.879 6.248 -4.046 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.491 4.335 -5.517 1.00 0.00 C ATOM 0 H LEU A 28 -7.077 7.523 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.828 5.252 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.282 7.689 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.310 6.349 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.373 6.065 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.003 5.697 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.672 7.318 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.726 6.021 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.609 3.793 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.331 4.108 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.734 4.032 -6.535 1.00 0.00 H new ATOM 427 N GLN A 29 -10.033 7.828 -8.861 1.00 0.00 N ATOM 428 CA GLN A 29 -11.230 8.536 -9.292 1.00 0.00 C ATOM 429 C GLN A 29 -11.784 9.325 -8.115 1.00 0.00 C ATOM 430 O GLN A 29 -12.996 9.371 -7.905 1.00 0.00 O ATOM 431 CB GLN A 29 -12.298 7.531 -9.774 1.00 0.00 C ATOM 432 CG GLN A 29 -11.682 6.522 -10.752 1.00 0.00 C ATOM 433 CD GLN A 29 -11.194 7.229 -12.000 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.956 7.959 -12.640 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.977 7.069 -12.386 1.00 0.00 N ATOM 0 H GLN A 29 -9.195 8.037 -9.404 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.977 9.207 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.723 7.005 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.115 8.064 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.853 6.001 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.421 5.767 -11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.349 6.465 -11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.640 7.546 -13.222 1.00 0.00 H new ATOM 444 N CYS A 30 -10.883 9.831 -7.277 1.00 0.00 N ATOM 445 CA CYS A 30 -11.267 10.511 -6.041 1.00 0.00 C ATOM 446 C CYS A 30 -12.105 11.753 -6.322 1.00 0.00 C ATOM 447 O CYS A 30 -11.757 12.859 -5.911 1.00 0.00 O ATOM 448 CB CYS A 30 -10.025 10.876 -5.220 1.00 0.00 C ATOM 449 SG CYS A 30 -10.469 10.991 -3.471 1.00 0.00 S ATOM 0 H CYS A 30 -9.876 9.783 -7.432 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.881 9.821 -5.461 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.249 10.123 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.614 11.825 -5.565 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.389 11.088 -2.754 1.00 0.00 H new ATOM 455 N ASP A 31 -13.228 11.553 -6.980 1.00 0.00 N ATOM 456 CA ASP A 31 -14.153 12.628 -7.274 1.00 0.00 C ATOM 457 C ASP A 31 -15.291 12.582 -6.273 1.00 0.00 C ATOM 458 O ASP A 31 -16.080 11.627 -6.272 1.00 0.00 O ATOM 459 CB ASP A 31 -14.702 12.470 -8.694 1.00 0.00 C ATOM 460 CG ASP A 31 -15.379 13.741 -9.168 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.692 14.577 -8.352 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.580 13.858 -10.352 1.00 0.00 O ATOM 0 H ASP A 31 -13.525 10.641 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.638 13.586 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.890 12.213 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.413 11.645 -8.721 1.00 0.00 H new ATOM 467 N ASP A 32 -15.317 13.538 -5.370 1.00 0.00 N ATOM 468 CA ASP A 32 -16.315 13.567 -4.309 1.00 0.00 C ATOM 469 C ASP A 32 -17.447 14.521 -4.650 1.00 0.00 C ATOM 470 O ASP A 32 -17.258 15.739 -4.659 1.00 0.00 O ATOM 471 CB ASP A 32 -15.664 13.955 -2.967 1.00 0.00 C ATOM 472 CG ASP A 32 -15.003 12.745 -2.337 1.00 0.00 C ATOM 473 OD1 ASP A 32 -13.920 12.391 -2.764 1.00 0.00 O ATOM 474 OD2 ASP A 32 -15.584 12.171 -1.441 1.00 0.00 O ATOM 0 H ASP A 32 -14.655 14.314 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.737 12.566 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.925 14.740 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.418 14.359 -2.292 1.00 0.00 H new ATOM 479 N GLY A 33 -18.636 13.977 -4.875 1.00 0.00 N ATOM 480 CA GLY A 33 -19.812 14.793 -5.158 1.00 0.00 C ATOM 481 C GLY A 33 -20.638 14.212 -6.289 1.00 0.00 C ATOM 482 O GLY A 33 -21.852 14.052 -6.156 1.00 0.00 O ATOM 0 H GLY A 33 -18.813 12.972 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.426 14.870 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.499 15.804 -5.418 1.00 0.00 H new ATOM 486 N ILE A 34 -19.986 13.912 -7.405 1.00 0.00 N ATOM 487 CA ILE A 34 -20.669 13.414 -8.598 1.00 0.00 C ATOM 488 C ILE A 34 -21.786 12.438 -8.264 1.00 0.00 C ATOM 489 O ILE A 34 -22.958 12.702 -8.558 1.00 0.00 O ATOM 490 CB ILE A 34 -19.654 12.796 -9.577 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.375 11.924 -10.606 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.607 11.959 -8.825 1.00 0.00 C ATOM 493 CD1 ILE A 34 -19.470 11.703 -11.805 1.00 0.00 C ATOM 0 H ILE A 34 -18.976 14.005 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.144 14.267 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.142 13.609 -10.092 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.647 10.967 -10.161 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.302 12.404 -10.920 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.901 11.533 -9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.071 12.595 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.105 11.155 -8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.983 11.082 -12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -19.220 12.664 -12.255 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -18.556 11.204 -11.484 1.00 0.00 H new ATOM 505 N THR A 35 -21.442 11.360 -7.611 1.00 0.00 N ATOM 506 CA THR A 35 -22.423 10.377 -7.206 1.00 0.00 C ATOM 507 C THR A 35 -22.759 10.590 -5.737 1.00 0.00 C ATOM 508 O THR A 35 -23.420 9.762 -5.097 1.00 0.00 O ATOM 509 CB THR A 35 -21.858 8.967 -7.438 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.057 8.556 -6.332 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.992 8.953 -8.694 1.00 0.00 C ATOM 0 H THR A 35 -20.483 11.135 -7.344 1.00 0.00 H new ATOM 0 HA THR A 35 -23.333 10.485 -7.796 1.00 0.00 H new ATOM 0 HB THR A 35 -22.699 8.282 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.708 7.655 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.595 7.950 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.594 9.244 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.167 9.655 -8.575 1.00 0.00 H new ATOM 519 N GLY A 36 -22.138 11.607 -5.183 1.00 0.00 N ATOM 520 CA GLY A 36 -22.124 11.863 -3.765 1.00 0.00 C ATOM 521 C GLY A 36 -20.679 11.882 -3.361 1.00 0.00 C ATOM 522 O GLY A 36 -19.800 11.941 -4.236 1.00 0.00 O ATOM 0 H GLY A 36 -21.615 12.296 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -22.606 12.814 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.670 11.090 -3.224 1.00 0.00 H new ATOM 526 N LYS A 37 -20.398 11.749 -2.092 1.00 0.00 N ATOM 527 CA LYS A 37 -19.024 11.658 -1.681 1.00 0.00 C ATOM 528 C LYS A 37 -18.775 10.306 -1.064 1.00 0.00 C ATOM 529 O LYS A 37 -19.283 9.993 0.023 1.00 0.00 O ATOM 530 CB LYS A 37 -18.726 12.762 -0.662 1.00 0.00 C ATOM 531 CG LYS A 37 -18.689 14.121 -1.377 1.00 0.00 C ATOM 532 CD LYS A 37 -20.101 14.714 -1.480 1.00 0.00 C ATOM 533 CE LYS A 37 -20.415 15.548 -0.236 1.00 0.00 C ATOM 534 NZ LYS A 37 -20.706 16.947 -0.639 1.00 0.00 N ATOM 0 H LYS A 37 -21.086 11.702 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.371 11.782 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.489 12.769 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.772 12.571 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.039 14.807 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.265 14.002 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.178 15.335 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.833 13.913 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.270 15.125 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.571 15.525 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.920 17.514 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.878 17.348 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.524 16.960 -1.281 1.00 0.00 H new ATOM 548 N GLU A 38 -17.910 9.546 -1.694 1.00 0.00 N ATOM 549 CA GLU A 38 -17.490 8.287 -1.144 1.00 0.00 C ATOM 550 C GLU A 38 -16.274 8.461 -0.283 1.00 0.00 C ATOM 551 O GLU A 38 -15.315 9.127 -0.689 1.00 0.00 O ATOM 552 CB GLU A 38 -17.258 7.226 -2.223 1.00 0.00 C ATOM 553 CG GLU A 38 -18.284 6.095 -2.061 1.00 0.00 C ATOM 554 CD GLU A 38 -18.365 5.655 -0.607 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.355 5.273 -0.062 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.437 5.718 -0.057 1.00 0.00 O ATOM 0 H GLU A 38 -17.485 9.782 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.305 7.923 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.348 7.673 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.247 6.827 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.263 6.433 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.004 5.249 -2.688 1.00 0.00 H new ATOM 563 N ARG A 39 -16.223 7.718 0.789 1.00 0.00 N ATOM 564 CA ARG A 39 -15.034 7.660 1.597 1.00 0.00 C ATOM 565 C ARG A 39 -14.181 6.519 1.105 1.00 0.00 C ATOM 566 O ARG A 39 -14.652 5.378 1.012 1.00 0.00 O ATOM 567 CB ARG A 39 -15.396 7.453 3.067 1.00 0.00 C ATOM 568 CG ARG A 39 -15.969 8.737 3.660 1.00 0.00 C ATOM 569 CD ARG A 39 -17.405 8.946 3.193 1.00 0.00 C ATOM 570 NE ARG A 39 -18.004 10.046 3.942 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.148 10.627 3.591 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.725 10.324 2.458 1.00 0.00 N ATOM 573 NH2 ARG A 39 -19.669 11.530 4.372 1.00 0.00 N ATOM 0 H ARG A 39 -16.995 7.142 1.125 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.486 8.599 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.123 6.646 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.511 7.150 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.938 8.687 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.356 9.588 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.423 9.166 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.983 8.034 3.340 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.522 10.386 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.298 9.638 1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.602 10.774 2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.200 11.784 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -20.546 11.983 4.114 1.00 0.00 H new ATOM 587 N LEU A 40 -12.935 6.809 0.808 1.00 0.00 N ATOM 588 CA LEU A 40 -12.047 5.803 0.272 1.00 0.00 C ATOM 589 C LEU A 40 -11.937 4.660 1.249 1.00 0.00 C ATOM 590 O LEU A 40 -11.977 4.871 2.473 1.00 0.00 O ATOM 591 CB LEU A 40 -10.670 6.407 -0.009 1.00 0.00 C ATOM 592 CG LEU A 40 -10.775 7.363 -1.214 1.00 0.00 C ATOM 593 CD1 LEU A 40 -11.214 8.757 -0.749 1.00 0.00 C ATOM 594 CD2 LEU A 40 -9.421 7.464 -1.913 1.00 0.00 C ATOM 0 H LEU A 40 -12.514 7.730 0.928 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.451 5.428 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.309 6.945 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.948 5.617 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.516 6.969 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.284 9.422 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.187 8.689 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.483 9.152 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.500 8.141 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.678 7.846 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.117 6.477 -2.262 1.00 0.00 H new ATOM 606 N LYS A 41 -11.980 3.454 0.734 1.00 0.00 N ATOM 607 CA LYS A 41 -11.998 2.283 1.583 1.00 0.00 C ATOM 608 C LYS A 41 -10.708 1.549 1.444 1.00 0.00 C ATOM 609 O LYS A 41 -10.235 1.360 0.334 1.00 0.00 O ATOM 610 CB LYS A 41 -13.155 1.360 1.197 1.00 0.00 C ATOM 611 CG LYS A 41 -14.482 2.134 1.209 1.00 0.00 C ATOM 612 CD LYS A 41 -15.172 1.977 2.571 1.00 0.00 C ATOM 613 CE LYS A 41 -14.423 2.788 3.630 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.223 4.189 3.149 1.00 0.00 N ATOM 0 H LYS A 41 -12.003 3.256 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.133 2.600 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.980 0.941 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.208 0.522 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.298 3.189 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.134 1.765 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.206 2.315 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.198 0.925 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.986 2.791 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.459 2.325 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.206 4.377 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.698 4.312 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.626 4.854 3.840 1.00 0.00 H new ATOM 628 N ALA A 42 -10.165 1.082 2.555 1.00 0.00 N ATOM 629 CA ALA A 42 -8.935 0.323 2.515 1.00 0.00 C ATOM 630 C ALA A 42 -8.925 -0.766 3.572 1.00 0.00 C ATOM 631 O ALA A 42 -9.282 -0.526 4.728 1.00 0.00 O ATOM 632 CB ALA A 42 -7.721 1.236 2.666 1.00 0.00 C ATOM 0 H ALA A 42 -10.556 1.216 3.488 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.877 -0.158 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.810 0.639 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.709 1.962 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.776 1.760 3.620 1.00 0.00 H new ATOM 638 N TYR A 43 -8.531 -1.962 3.171 1.00 0.00 N ATOM 639 CA TYR A 43 -8.509 -3.110 4.066 1.00 0.00 C ATOM 640 C TYR A 43 -7.451 -4.120 3.659 1.00 0.00 C ATOM 641 O TYR A 43 -6.881 -4.036 2.568 1.00 0.00 O ATOM 642 CB TYR A 43 -9.892 -3.770 4.148 1.00 0.00 C ATOM 643 CG TYR A 43 -10.442 -3.977 2.756 1.00 0.00 C ATOM 644 CD1 TYR A 43 -11.213 -2.974 2.159 1.00 0.00 C ATOM 645 CD2 TYR A 43 -10.186 -5.166 2.068 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.729 -3.158 0.876 1.00 0.00 C ATOM 647 CE2 TYR A 43 -10.703 -5.353 0.785 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.478 -4.345 0.186 1.00 0.00 C ATOM 649 OH TYR A 43 -11.996 -4.527 -1.078 1.00 0.00 O ATOM 0 H TYR A 43 -8.219 -2.166 2.222 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.246 -2.743 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.819 -4.726 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.570 -3.144 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.409 -2.056 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.589 -5.939 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.323 -2.382 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.508 -6.272 0.253 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.774 -3.943 -1.200 1.00 0.00 H new ATOM 659 N GLY A 44 -7.189 -5.077 4.540 1.00 0.00 N ATOM 660 CA GLY A 44 -6.225 -6.108 4.269 1.00 0.00 C ATOM 661 C GLY A 44 -6.578 -6.803 2.978 1.00 0.00 C ATOM 662 O GLY A 44 -7.740 -7.118 2.732 1.00 0.00 O ATOM 0 H GLY A 44 -7.640 -5.151 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.226 -5.677 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.207 -6.827 5.088 1.00 0.00 H new ATOM 666 N GLU A 45 -5.582 -7.004 2.163 1.00 0.00 N ATOM 667 CA GLU A 45 -5.725 -7.616 0.861 1.00 0.00 C ATOM 668 C GLU A 45 -6.762 -8.742 0.863 1.00 0.00 C ATOM 669 O GLU A 45 -6.736 -9.618 1.734 1.00 0.00 O ATOM 670 CB GLU A 45 -4.365 -8.159 0.447 1.00 0.00 C ATOM 671 CG GLU A 45 -3.937 -7.539 -0.882 1.00 0.00 C ATOM 672 CD GLU A 45 -4.640 -8.254 -2.011 1.00 0.00 C ATOM 673 OE1 GLU A 45 -5.845 -8.126 -2.098 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.976 -8.928 -2.761 1.00 0.00 O ATOM 0 H GLU A 45 -4.622 -6.742 2.386 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.079 -6.865 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.626 -7.936 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.411 -9.244 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.184 -6.477 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.857 -7.617 -1.003 1.00 0.00 H new ATOM 881 N PRO A 57 -5.325 -9.353 7.751 1.00 0.00 N ATOM 882 CA PRO A 57 -5.672 -7.930 7.622 1.00 0.00 C ATOM 883 C PRO A 57 -4.453 -7.042 7.720 1.00 0.00 C ATOM 884 O PRO A 57 -3.431 -7.451 8.236 1.00 0.00 O ATOM 885 CB PRO A 57 -6.650 -7.655 8.760 1.00 0.00 C ATOM 886 CG PRO A 57 -7.043 -8.999 9.318 1.00 0.00 C ATOM 887 CD PRO A 57 -6.385 -10.078 8.447 1.00 0.00 C ATOM 0 HA PRO A 57 -6.108 -7.713 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.187 -7.036 9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.524 -7.114 8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.717 -9.093 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.127 -9.113 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.985 -10.893 9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.096 -10.519 7.748 1.00 0.00 H new ATOM 895 N ILE A 58 -4.572 -5.857 7.156 1.00 0.00 N ATOM 896 CA ILE A 58 -3.491 -4.880 7.068 1.00 0.00 C ATOM 897 C ILE A 58 -2.380 -5.133 8.104 1.00 0.00 C ATOM 898 O ILE A 58 -2.379 -4.557 9.196 1.00 0.00 O ATOM 899 CB ILE A 58 -4.092 -3.482 7.261 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.073 -3.175 6.125 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.997 -2.423 7.267 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.909 -1.957 6.495 1.00 0.00 C ATOM 0 H ILE A 58 -5.442 -5.533 6.734 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.022 -4.969 6.088 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.613 -3.464 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.528 -2.989 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.720 -4.034 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.444 -1.438 7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.302 -2.623 8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.461 -2.448 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.608 -1.737 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.464 -2.161 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.254 -1.100 6.652 1.00 0.00 H new ATOM 914 N VAL A 59 -1.402 -5.917 7.694 1.00 0.00 N ATOM 915 CA VAL A 59 -0.194 -6.175 8.450 1.00 0.00 C ATOM 916 C VAL A 59 0.978 -6.150 7.485 1.00 0.00 C ATOM 917 O VAL A 59 0.780 -6.290 6.271 1.00 0.00 O ATOM 918 CB VAL A 59 -0.257 -7.542 9.155 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.308 -7.511 10.270 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.610 -8.643 8.138 1.00 0.00 C ATOM 0 H VAL A 59 -1.428 -6.406 6.799 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.080 -5.412 9.220 1.00 0.00 H new ATOM 0 HB VAL A 59 0.718 -7.758 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.345 -8.483 10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.043 -6.745 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.285 -7.283 9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.652 -9.607 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.579 -8.426 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.152 -8.676 7.359 1.00 0.00 H new ATOM 930 N SER A 60 2.180 -6.052 7.999 1.00 0.00 N ATOM 931 CA SER A 60 3.345 -6.129 7.147 1.00 0.00 C ATOM 932 C SER A 60 4.180 -7.334 7.526 1.00 0.00 C ATOM 933 O SER A 60 4.477 -7.544 8.715 1.00 0.00 O ATOM 934 CB SER A 60 4.164 -4.832 7.209 1.00 0.00 C ATOM 935 OG SER A 60 4.819 -4.712 8.467 1.00 0.00 O ATOM 0 H SER A 60 2.378 -5.920 8.991 1.00 0.00 H new ATOM 0 HA SER A 60 3.018 -6.249 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.902 -4.823 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.510 -3.975 7.050 1.00 0.00 H new ATOM 0 HG SER A 60 4.427 -3.969 8.971 1.00 0.00 H new ATOM 941 N THR A 61 4.539 -8.144 6.543 1.00 0.00 N ATOM 942 CA THR A 61 5.309 -9.332 6.832 1.00 0.00 C ATOM 943 C THR A 61 6.676 -8.908 7.317 1.00 0.00 C ATOM 944 O THR A 61 7.337 -8.097 6.655 1.00 0.00 O ATOM 945 CB THR A 61 5.422 -10.225 5.577 1.00 0.00 C ATOM 946 OG1 THR A 61 6.446 -9.727 4.712 1.00 0.00 O ATOM 947 CG2 THR A 61 4.084 -10.231 4.821 1.00 0.00 C ATOM 0 H THR A 61 4.313 -8.001 5.559 1.00 0.00 H new ATOM 0 HA THR A 61 4.812 -9.918 7.605 1.00 0.00 H new ATOM 0 HB THR A 61 5.672 -11.239 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.731 -8.841 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.169 -10.862 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.301 -10.620 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.832 -9.214 4.519 1.00 0.00 H new ATOM 955 N LYS A 62 7.075 -9.398 8.477 1.00 0.00 N ATOM 956 CA LYS A 62 8.335 -8.989 9.068 1.00 0.00 C ATOM 957 C LYS A 62 9.448 -9.897 8.603 1.00 0.00 C ATOM 958 O LYS A 62 9.690 -10.952 9.202 1.00 0.00 O ATOM 959 CB LYS A 62 8.248 -9.054 10.598 1.00 0.00 C ATOM 960 CG LYS A 62 7.063 -8.220 11.112 1.00 0.00 C ATOM 961 CD LYS A 62 7.298 -6.732 10.845 1.00 0.00 C ATOM 962 CE LYS A 62 6.120 -5.932 11.410 1.00 0.00 C ATOM 963 NZ LYS A 62 5.012 -5.914 10.421 1.00 0.00 N ATOM 0 H LYS A 62 6.547 -10.077 9.026 1.00 0.00 H new ATOM 0 HA LYS A 62 8.543 -7.965 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.135 -10.090 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.176 -8.685 11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.144 -8.543 10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.930 -8.387 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.230 -6.409 11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.396 -6.552 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.780 -6.377 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.435 -4.914 11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.140 -5.585 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.254 -5.271 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.865 -6.873 10.047 1.00 0.00 H new ATOM 977 N LYS A 63 10.175 -9.468 7.591 1.00 0.00 N ATOM 978 CA LYS A 63 11.308 -10.237 7.134 1.00 0.00 C ATOM 979 C LYS A 63 12.587 -9.503 7.439 1.00 0.00 C ATOM 980 O LYS A 63 12.909 -8.504 6.803 1.00 0.00 O ATOM 981 CB LYS A 63 11.202 -10.551 5.635 1.00 0.00 C ATOM 982 CG LYS A 63 9.909 -11.344 5.391 1.00 0.00 C ATOM 983 CD LYS A 63 9.944 -12.033 4.022 1.00 0.00 C ATOM 984 CE LYS A 63 9.739 -11.016 2.903 1.00 0.00 C ATOM 985 NZ LYS A 63 9.466 -11.729 1.634 1.00 0.00 N ATOM 0 H LYS A 63 10.003 -8.604 7.078 1.00 0.00 H new ATOM 0 HA LYS A 63 11.313 -11.188 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.195 -9.628 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.067 -11.127 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.781 -12.090 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.051 -10.674 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.899 -12.541 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.168 -12.797 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.908 -10.353 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.626 -10.391 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.326 -11.037 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.272 -12.344 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.608 -12.308 1.738 1.00 0.00 H new ATOM 999 N LEU A 64 13.319 -9.997 8.414 1.00 0.00 N ATOM 1000 CA LEU A 64 14.580 -9.393 8.785 1.00 0.00 C ATOM 1001 C LEU A 64 15.697 -10.093 8.056 1.00 0.00 C ATOM 1002 O LEU A 64 15.747 -11.329 8.013 1.00 0.00 O ATOM 1003 CB LEU A 64 14.762 -9.431 10.312 1.00 0.00 C ATOM 1004 CG LEU A 64 16.147 -8.897 10.729 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.368 -7.495 10.168 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.179 -8.794 12.252 1.00 0.00 C ATOM 0 H LEU A 64 13.062 -10.816 8.965 1.00 0.00 H new ATOM 0 HA LEU A 64 14.594 -8.343 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.983 -8.835 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.643 -10.454 10.668 1.00 0.00 H new ATOM 0 HG LEU A 64 16.917 -9.570 10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.350 -7.132 10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.313 -7.526 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.599 -6.824 10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.151 -8.418 12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.398 -8.111 12.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.011 -9.779 12.687 1.00 0.00 H new ATOM 1018 N ASP A 65 16.471 -9.316 7.328 1.00 0.00 N ATOM 1019 CA ASP A 65 17.471 -9.863 6.436 1.00 0.00 C ATOM 1020 C ASP A 65 18.852 -9.440 6.863 1.00 0.00 C ATOM 1021 O ASP A 65 19.012 -8.731 7.858 1.00 0.00 O ATOM 1022 CB ASP A 65 17.213 -9.372 5.004 1.00 0.00 C ATOM 1023 CG ASP A 65 17.621 -10.421 3.992 1.00 0.00 C ATOM 1024 OD1 ASP A 65 18.415 -11.270 4.324 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.133 -10.359 2.884 1.00 0.00 O ATOM 0 H ASP A 65 16.426 -8.297 7.337 1.00 0.00 H new ATOM 0 HA ASP A 65 17.407 -10.950 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.156 -9.134 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.770 -8.452 4.825 1.00 0.00 H new ATOM 1030 N LYS A 66 19.827 -9.747 6.022 1.00 0.00 N ATOM 1031 CA LYS A 66 21.208 -9.324 6.230 1.00 0.00 C ATOM 1032 C LYS A 66 21.260 -7.822 6.480 1.00 0.00 C ATOM 1033 O LYS A 66 22.278 -7.281 6.904 1.00 0.00 O ATOM 1034 CB LYS A 66 22.038 -9.654 4.976 1.00 0.00 C ATOM 1035 CG LYS A 66 21.562 -8.781 3.788 1.00 0.00 C ATOM 1036 CD LYS A 66 20.752 -9.622 2.791 1.00 0.00 C ATOM 1037 CE LYS A 66 19.728 -8.724 2.066 1.00 0.00 C ATOM 1038 NZ LYS A 66 18.788 -9.565 1.282 1.00 0.00 N ATOM 0 H LYS A 66 19.686 -10.297 5.175 1.00 0.00 H new ATOM 0 HA LYS A 66 21.615 -9.849 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.095 -9.474 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.935 -10.710 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.952 -7.957 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.423 -8.340 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.420 -10.087 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.237 -10.428 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.177 -8.126 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.245 -8.027 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.554 -9.085 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.233 -10.482 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.918 -9.718 1.831 1.00 0.00 H new ATOM 1052 N GLU A 67 20.175 -7.158 6.133 1.00 0.00 N ATOM 1053 CA GLU A 67 20.082 -5.721 6.205 1.00 0.00 C ATOM 1054 C GLU A 67 20.292 -5.245 7.625 1.00 0.00 C ATOM 1055 O GLU A 67 20.684 -4.100 7.853 1.00 0.00 O ATOM 1056 CB GLU A 67 18.704 -5.269 5.711 1.00 0.00 C ATOM 1057 CG GLU A 67 18.537 -5.678 4.245 1.00 0.00 C ATOM 1058 CD GLU A 67 19.602 -5.030 3.397 1.00 0.00 C ATOM 1059 OE1 GLU A 67 19.739 -3.829 3.465 1.00 0.00 O ATOM 1060 OE2 GLU A 67 20.268 -5.743 2.687 1.00 0.00 O ATOM 0 H GLU A 67 19.327 -7.610 5.790 1.00 0.00 H new ATOM 0 HA GLU A 67 20.858 -5.290 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.920 -5.721 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.604 -4.188 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.599 -6.762 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.550 -5.384 3.888 1.00 0.00 H new ATOM 1067 N GLY A 68 19.888 -6.065 8.575 1.00 0.00 N ATOM 1068 CA GLY A 68 19.919 -5.668 9.970 1.00 0.00 C ATOM 1069 C GLY A 68 18.724 -4.788 10.262 1.00 0.00 C ATOM 1070 O GLY A 68 18.518 -4.345 11.397 1.00 0.00 O ATOM 0 H GLY A 68 19.535 -7.007 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.903 -6.549 10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.843 -5.132 10.188 1.00 0.00 H new ATOM 1074 N ARG A 69 17.892 -4.608 9.239 1.00 0.00 N ATOM 1075 CA ARG A 69 16.653 -3.871 9.356 1.00 0.00 C ATOM 1076 C ARG A 69 15.538 -4.827 8.990 1.00 0.00 C ATOM 1077 O ARG A 69 15.609 -5.485 7.948 1.00 0.00 O ATOM 1078 CB ARG A 69 16.622 -2.720 8.337 1.00 0.00 C ATOM 1079 CG ARG A 69 17.873 -1.848 8.443 1.00 0.00 C ATOM 1080 CD ARG A 69 17.859 -1.047 9.737 1.00 0.00 C ATOM 1081 NE ARG A 69 18.613 0.181 9.542 1.00 0.00 N ATOM 1082 CZ ARG A 69 18.040 1.285 9.067 1.00 0.00 C ATOM 1083 NH1 ARG A 69 16.745 1.309 8.864 1.00 0.00 N ATOM 1084 NH2 ARG A 69 18.764 2.331 8.811 1.00 0.00 N ATOM 0 H ARG A 69 18.067 -4.975 8.303 1.00 0.00 H new ATOM 0 HA ARG A 69 16.551 -3.469 10.364 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.544 -3.127 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.735 -2.109 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.764 -2.475 8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.924 -1.171 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.834 -0.817 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.295 -1.632 10.547 1.00 0.00 H new ATOM 0 HE ARG A 69 19.606 0.197 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.181 0.484 9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.301 2.152 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.771 2.307 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.326 3.177 8.447 1.00 0.00 H new ATOM 1098 N THR A 70 14.530 -4.929 9.819 1.00 0.00 N ATOM 1099 CA THR A 70 13.440 -5.829 9.517 1.00 0.00 C ATOM 1100 C THR A 70 12.664 -5.284 8.323 1.00 0.00 C ATOM 1101 O THR A 70 12.218 -4.137 8.351 1.00 0.00 O ATOM 1102 CB THR A 70 12.522 -5.961 10.728 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.304 -6.056 11.915 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.645 -7.212 10.593 1.00 0.00 C ATOM 0 H THR A 70 14.439 -4.412 10.693 1.00 0.00 H new ATOM 0 HA THR A 70 13.834 -6.816 9.274 1.00 0.00 H new ATOM 0 HB THR A 70 11.882 -5.081 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.775 -5.749 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.994 -7.296 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.037 -7.135 9.691 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.280 -8.096 10.528 1.00 0.00 H new ATOM 1112 N HIS A 71 12.483 -6.110 7.298 1.00 0.00 N ATOM 1113 CA HIS A 71 11.755 -5.700 6.102 1.00 0.00 C ATOM 1114 C HIS A 71 10.275 -5.916 6.319 1.00 0.00 C ATOM 1115 O HIS A 71 9.830 -7.049 6.547 1.00 0.00 O ATOM 1116 CB HIS A 71 12.223 -6.532 4.891 1.00 0.00 C ATOM 1117 CG HIS A 71 12.060 -5.780 3.575 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.113 -5.654 2.677 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.976 -5.158 2.969 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.652 -4.991 1.594 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.360 -4.667 1.713 1.00 0.00 N ATOM 0 H HIS A 71 12.831 -7.069 7.271 1.00 0.00 H new ATOM 0 HA HIS A 71 11.949 -4.645 5.907 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.270 -6.805 5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.654 -7.461 4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.989 -5.067 3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.257 -4.751 0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.780 -4.170 1.037 1.00 0.00 H new ATOM 1130 N HIS A 72 9.519 -4.844 6.225 1.00 0.00 N ATOM 1131 CA HIS A 72 8.079 -4.900 6.354 1.00 0.00 C ATOM 1132 C HIS A 72 7.477 -4.914 4.977 1.00 0.00 C ATOM 1133 O HIS A 72 7.501 -3.901 4.306 1.00 0.00 O ATOM 1134 CB HIS A 72 7.557 -3.635 7.052 1.00 0.00 C ATOM 1135 CG HIS A 72 7.822 -3.656 8.523 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.983 -3.011 9.413 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.824 -4.205 9.280 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.485 -3.185 10.641 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.604 -3.905 10.620 1.00 0.00 N ATOM 0 H HIS A 72 9.886 -3.907 6.057 1.00 0.00 H new ATOM 0 HA HIS A 72 7.814 -5.788 6.928 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.029 -2.757 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.485 -3.541 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.654 -4.780 8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.036 -2.789 11.540 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.178 -4.179 11.417 1.00 0.00 H new ATOM 1148 N TYR A 73 6.829 -5.999 4.613 1.00 0.00 N ATOM 1149 CA TYR A 73 6.086 -6.043 3.364 1.00 0.00 C ATOM 1150 C TYR A 73 4.616 -5.906 3.685 1.00 0.00 C ATOM 1151 O TYR A 73 4.033 -6.794 4.309 1.00 0.00 O ATOM 1152 CB TYR A 73 6.325 -7.371 2.634 1.00 0.00 C ATOM 1153 CG TYR A 73 7.767 -7.466 2.188 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.755 -7.904 3.081 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.116 -7.122 0.878 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.082 -7.994 2.656 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.445 -7.215 0.462 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.424 -7.647 1.348 1.00 0.00 C ATOM 1159 OH TYR A 73 11.734 -7.734 0.936 1.00 0.00 O ATOM 0 H TYR A 73 6.799 -6.861 5.158 1.00 0.00 H new ATOM 0 HA TYR A 73 6.419 -5.233 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.084 -8.206 3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.663 -7.445 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.491 -8.171 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.357 -6.784 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.845 -8.333 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.713 -6.951 -0.550 1.00 0.00 H new ATOM 0 HH TYR A 73 12.328 -7.624 1.708 1.00 0.00 H new ATOM 1169 N MET A 74 4.043 -4.765 3.343 1.00 0.00 N ATOM 1170 CA MET A 74 2.652 -4.480 3.660 1.00 0.00 C ATOM 1171 C MET A 74 1.863 -4.303 2.382 1.00 0.00 C ATOM 1172 O MET A 74 2.197 -3.451 1.556 1.00 0.00 O ATOM 1173 CB MET A 74 2.565 -3.198 4.504 1.00 0.00 C ATOM 1174 CG MET A 74 1.128 -2.983 4.996 1.00 0.00 C ATOM 1175 SD MET A 74 1.087 -1.555 6.113 1.00 0.00 S ATOM 1176 CE MET A 74 1.498 -0.279 4.894 1.00 0.00 C ATOM 0 H MET A 74 4.522 -4.016 2.843 1.00 0.00 H new ATOM 0 HA MET A 74 2.235 -5.313 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.242 -3.268 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.886 -2.341 3.911 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.462 -2.817 4.149 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.771 -3.874 5.512 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.847 0.583 5.036 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.537 0.026 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.358 -0.677 3.889 1.00 0.00 H new ATOM 1186 N ARG A 75 0.799 -5.065 2.246 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.071 -4.952 1.092 1.00 0.00 C ATOM 1188 C ARG A 75 -1.516 -4.847 1.535 1.00 0.00 C ATOM 1189 O ARG A 75 -1.961 -5.604 2.408 1.00 0.00 O ATOM 1190 CB ARG A 75 0.112 -6.154 0.149 1.00 0.00 C ATOM 1191 CG ARG A 75 0.180 -7.459 0.962 1.00 0.00 C ATOM 1192 CD ARG A 75 0.309 -8.650 0.004 1.00 0.00 C ATOM 1193 NE ARG A 75 1.574 -8.569 -0.724 1.00 0.00 N ATOM 1194 CZ ARG A 75 1.913 -9.437 -1.685 1.00 0.00 C ATOM 1195 NH1 ARG A 75 1.088 -10.378 -2.032 1.00 0.00 N ATOM 1196 NH2 ARG A 75 3.061 -9.316 -2.292 1.00 0.00 N ATOM 0 H ARG A 75 0.514 -5.773 2.923 1.00 0.00 H new ATOM 0 HA ARG A 75 0.198 -4.047 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.716 -6.200 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.024 -6.032 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.031 -7.432 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.715 -7.566 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.261 -9.584 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.525 -8.655 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 75 2.226 -7.820 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.181 -10.456 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.347 -11.039 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.697 -8.562 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.323 -9.976 -3.025 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.248 -3.930 0.939 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.655 -3.764 1.256 1.00 0.00 C ATOM 1212 C PHE A 76 -4.445 -3.290 0.059 1.00 0.00 C ATOM 1213 O PHE A 76 -3.902 -2.654 -0.851 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.861 -2.869 2.499 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.222 -1.504 2.320 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.885 -1.311 2.684 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -3.967 -0.431 1.811 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.292 -0.054 2.540 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.370 0.831 1.673 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.035 1.017 2.037 1.00 0.00 C ATOM 0 H PHE A 76 -1.894 -3.286 0.231 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.050 -4.746 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.928 -2.749 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.435 -3.358 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.310 -2.136 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.999 -0.576 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.258 0.090 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.944 1.660 1.285 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.577 1.989 1.930 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.717 -3.638 0.044 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.595 -3.283 -1.054 1.00 0.00 C ATOM 1232 C HIS A 77 -7.453 -2.113 -0.655 1.00 0.00 C ATOM 1233 O HIS A 77 -7.876 -2.012 0.509 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.487 -4.476 -1.448 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.195 -4.885 -2.868 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -6.449 -6.014 -3.175 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.532 -4.322 -4.076 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -6.360 -6.089 -4.510 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -7.001 -5.086 -5.112 1.00 0.00 N ATOM 0 H HIS A 77 -6.169 -4.171 0.787 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.984 -3.012 -1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.308 -5.314 -0.774 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.538 -4.205 -1.347 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -6.042 -6.668 -2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.119 -3.424 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.831 -6.870 -5.037 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.731 -1.241 -1.601 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.575 -0.103 -1.323 1.00 0.00 C ATOM 1250 C VAL A 78 -9.671 -0.001 -2.366 1.00 0.00 C ATOM 1251 O VAL A 78 -9.474 -0.382 -3.525 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.743 1.199 -1.264 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.433 0.941 -0.510 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.422 1.701 -2.679 1.00 0.00 C ATOM 0 H VAL A 78 -7.388 -1.299 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.039 -0.243 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.327 1.958 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.849 1.860 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.656 0.609 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.861 0.170 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.836 2.618 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.851 0.942 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.351 1.900 -3.214 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.783 0.587 -1.983 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.865 0.813 -2.910 1.00 0.00 C ATOM 1266 C GLU A 79 -12.094 2.289 -3.116 1.00 0.00 C ATOM 1267 O GLU A 79 -12.253 3.061 -2.158 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.142 0.078 -2.488 1.00 0.00 C ATOM 1269 CG GLU A 79 -12.914 -1.432 -2.651 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.131 -2.203 -2.212 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.163 -2.059 -2.837 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.023 -2.933 -1.255 1.00 0.00 O ATOM 0 H GLU A 79 -10.960 0.917 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.575 0.391 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.390 0.314 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.984 0.402 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.688 -1.661 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.050 -1.740 -2.062 1.00 0.00 H new ATOM 1279 N SER A 80 -12.002 2.677 -4.359 1.00 0.00 N ATOM 1280 CA SER A 80 -12.088 4.052 -4.772 1.00 0.00 C ATOM 1281 C SER A 80 -13.508 4.397 -5.132 1.00 0.00 C ATOM 1282 O SER A 80 -14.430 3.628 -4.865 1.00 0.00 O ATOM 1283 CB SER A 80 -11.162 4.280 -5.964 1.00 0.00 C ATOM 1284 OG SER A 80 -10.200 3.227 -6.034 1.00 0.00 O ATOM 0 H SER A 80 -11.861 2.028 -5.133 1.00 0.00 H new ATOM 0 HA SER A 80 -11.778 4.699 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.742 4.317 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.657 5.241 -5.866 1.00 0.00 H new ATOM 0 HG SER A 80 -10.623 2.421 -6.396 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.699 5.562 -5.716 1.00 0.00 N ATOM 1291 CA LYS A 81 -15.031 5.988 -6.061 1.00 0.00 C ATOM 1292 C LYS A 81 -15.613 5.038 -7.103 1.00 0.00 C ATOM 1293 O LYS A 81 -16.821 4.845 -7.163 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.013 7.396 -6.651 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.380 8.420 -5.683 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.126 8.447 -4.350 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.025 9.862 -3.738 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.082 9.885 -2.588 1.00 0.00 N ATOM 0 H LYS A 81 -12.958 6.220 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.637 5.984 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.456 7.390 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.032 7.703 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.334 8.166 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.398 9.412 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.171 8.176 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.701 7.712 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.691 10.567 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.011 10.190 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.630 10.820 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.603 9.696 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.353 9.155 -2.722 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.744 4.522 -7.977 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.187 3.679 -9.090 1.00 0.00 C ATOM 1314 C LYS A 82 -14.407 2.355 -9.149 1.00 0.00 C ATOM 1315 O LYS A 82 -14.817 1.418 -9.847 1.00 0.00 O ATOM 1316 CB LYS A 82 -15.001 4.436 -10.418 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.625 5.848 -10.319 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.156 5.751 -10.161 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.720 7.100 -9.673 1.00 0.00 C ATOM 1320 NZ LYS A 82 -17.329 8.184 -10.611 1.00 0.00 N ATOM 0 H LYS A 82 -13.736 4.672 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.240 3.446 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.940 4.515 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.468 3.880 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.199 6.382 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.381 6.423 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.612 5.479 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.408 4.963 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.806 7.045 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.345 7.320 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.885 9.038 -10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.317 8.394 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.511 7.880 -11.589 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.197 2.343 -8.572 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.297 1.195 -8.706 1.00 0.00 C ATOM 1336 C LYS A 83 -11.829 0.634 -7.374 1.00 0.00 C ATOM 1337 O LYS A 83 -11.699 1.365 -6.389 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.068 1.567 -9.512 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.487 1.929 -10.920 1.00 0.00 C ATOM 1340 CD LYS A 83 -10.246 2.159 -11.761 1.00 0.00 C ATOM 1341 CE LYS A 83 -10.680 2.549 -13.164 1.00 0.00 C ATOM 1342 NZ LYS A 83 -9.555 2.351 -14.113 1.00 0.00 N ATOM 0 H LYS A 83 -12.824 3.110 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.883 0.428 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.553 2.407 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.365 0.734 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.091 1.130 -11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.106 2.826 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.631 2.945 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.636 1.256 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.536 1.947 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.001 3.591 -13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.327 3.255 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.721 2.006 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.828 1.653 -14.834 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.391 -0.613 -7.422 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.730 -1.268 -6.300 1.00 0.00 C ATOM 1358 C ILE A 84 -9.236 -1.300 -6.600 1.00 0.00 C ATOM 1359 O ILE A 84 -8.834 -1.737 -7.678 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.251 -2.709 -6.169 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.766 -2.723 -6.387 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.935 -3.260 -4.772 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.073 -3.274 -7.778 1.00 0.00 C ATOM 0 H ILE A 84 -11.484 -1.206 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.928 -0.732 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.763 -3.333 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.248 -3.337 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.168 -1.715 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.308 -4.281 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.857 -3.254 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.415 -2.637 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.152 -3.285 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.603 -2.642 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.684 -4.289 -7.861 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.429 -0.766 -5.702 1.00 0.00 N ATOM 1376 CA ALA A 85 -6.989 -0.668 -5.945 1.00 0.00 C ATOM 1377 C ALA A 85 -6.194 -1.450 -4.920 1.00 0.00 C ATOM 1378 O ALA A 85 -6.630 -1.632 -3.783 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.533 0.797 -5.952 1.00 0.00 C ATOM 0 H ALA A 85 -8.736 -0.394 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.800 -1.103 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.459 0.843 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.058 1.338 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.757 1.252 -4.987 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.009 -1.874 -5.325 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.100 -2.622 -4.465 1.00 0.00 C ATOM 1387 C LEU A 86 -2.906 -1.758 -4.090 1.00 0.00 C ATOM 1388 O LEU A 86 -2.284 -1.144 -4.959 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.644 -3.899 -5.200 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.429 -4.542 -4.507 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.809 -4.996 -3.106 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.970 -5.758 -5.318 1.00 0.00 C ATOM 0 H LEU A 86 -4.646 -1.710 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.613 -2.906 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.466 -4.614 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.390 -3.656 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.625 -3.809 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.943 -5.450 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.141 -4.137 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.615 -5.727 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.110 -6.217 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.782 -6.483 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.692 -5.441 -6.323 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.602 -1.694 -2.803 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.482 -0.892 -2.324 1.00 0.00 C ATOM 1406 C VAL A 87 -0.445 -1.788 -1.656 1.00 0.00 C ATOM 1407 O VAL A 87 -0.784 -2.616 -0.800 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.984 0.176 -1.334 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.813 1.050 -0.867 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.043 1.055 -2.015 1.00 0.00 C ATOM 0 H VAL A 87 -3.113 -2.186 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.016 -0.391 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.426 -0.320 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.177 1.802 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.068 0.426 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.361 1.543 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.396 1.810 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.605 1.546 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.881 0.435 -2.333 1.00 0.00 H new ATOM 1420 N HIS A 88 0.810 -1.627 -2.057 1.00 0.00 N ATOM 1421 CA HIS A 88 1.909 -2.424 -1.523 1.00 0.00 C ATOM 1422 C HIS A 88 2.991 -1.504 -0.981 1.00 0.00 C ATOM 1423 O HIS A 88 3.513 -0.663 -1.708 1.00 0.00 O ATOM 1424 CB HIS A 88 2.475 -3.323 -2.640 1.00 0.00 C ATOM 1425 CG HIS A 88 3.788 -3.978 -2.243 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.545 -4.688 -3.162 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.485 -4.054 -1.055 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.632 -5.158 -2.525 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.650 -4.800 -1.244 1.00 0.00 N ATOM 0 H HIS A 88 1.095 -0.943 -2.759 1.00 0.00 H new ATOM 0 HA HIS A 88 1.548 -3.054 -0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.746 -4.095 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.626 -2.728 -3.541 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.318 -4.829 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.177 -3.605 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.399 -5.755 -2.997 1.00 0.00 H new ATOM 1438 N LEU A 89 3.302 -1.658 0.300 1.00 0.00 N ATOM 1439 CA LEU A 89 4.319 -0.852 0.960 1.00 0.00 C ATOM 1440 C LEU A 89 5.385 -1.721 1.602 1.00 0.00 C ATOM 1441 O LEU A 89 5.068 -2.657 2.349 1.00 0.00 O ATOM 1442 CB LEU A 89 3.685 0.059 2.020 1.00 0.00 C ATOM 1443 CG LEU A 89 4.771 0.960 2.640 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.203 2.348 2.931 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.276 0.334 3.948 1.00 0.00 C ATOM 0 H LEU A 89 2.857 -2.344 0.909 1.00 0.00 H new ATOM 0 HA LEU A 89 4.793 -0.236 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.904 0.671 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.211 -0.543 2.795 1.00 0.00 H new ATOM 0 HG LEU A 89 5.596 1.052 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.980 2.975 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.853 2.800 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.371 2.261 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.044 0.973 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.446 0.234 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.697 -0.650 3.742 1.00 0.00 H new ATOM 1457 N GLU A 90 6.641 -1.343 1.403 1.00 0.00 N ATOM 1458 CA GLU A 90 7.745 -1.990 2.080 1.00 0.00 C ATOM 1459 C GLU A 90 8.462 -1.016 2.974 1.00 0.00 C ATOM 1460 O GLU A 90 8.861 0.069 2.535 1.00 0.00 O ATOM 1461 CB GLU A 90 8.733 -2.600 1.104 1.00 0.00 C ATOM 1462 CG GLU A 90 8.089 -3.793 0.413 1.00 0.00 C ATOM 1463 CD GLU A 90 9.020 -4.360 -0.634 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.208 -4.104 -0.547 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.547 -5.066 -1.488 1.00 0.00 O ATOM 0 H GLU A 90 6.916 -0.588 0.775 1.00 0.00 H new ATOM 0 HA GLU A 90 7.320 -2.795 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.037 -1.858 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.635 -2.914 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.847 -4.561 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.151 -3.490 -0.051 1.00 0.00 H new ATOM 1472 N ALA A 91 8.685 -1.418 4.203 1.00 0.00 N ATOM 1473 CA ALA A 91 9.404 -0.586 5.145 1.00 0.00 C ATOM 1474 C ALA A 91 10.459 -1.396 5.863 1.00 0.00 C ATOM 1475 O ALA A 91 10.272 -2.587 6.087 1.00 0.00 O ATOM 1476 CB ALA A 91 8.441 0.035 6.162 1.00 0.00 C ATOM 0 H ALA A 91 8.379 -2.317 4.576 1.00 0.00 H new ATOM 0 HA ALA A 91 9.890 0.216 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.001 0.656 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.706 0.648 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.930 -0.757 6.710 1.00 0.00 H new ATOM 1482 N LYS A 92 11.539 -0.750 6.276 1.00 0.00 N ATOM 1483 CA LYS A 92 12.560 -1.443 7.051 1.00 0.00 C ATOM 1484 C LYS A 92 12.689 -0.869 8.446 1.00 0.00 C ATOM 1485 O LYS A 92 12.927 0.334 8.613 1.00 0.00 O ATOM 1486 CB LYS A 92 13.923 -1.477 6.344 1.00 0.00 C ATOM 1487 CG LYS A 92 14.410 -0.066 5.972 1.00 0.00 C ATOM 1488 CD LYS A 92 15.865 -0.174 5.492 1.00 0.00 C ATOM 1489 CE LYS A 92 16.289 1.086 4.734 1.00 0.00 C ATOM 1490 NZ LYS A 92 15.877 2.317 5.454 1.00 0.00 N ATOM 0 H LYS A 92 11.731 0.235 6.093 1.00 0.00 H new ATOM 0 HA LYS A 92 12.223 -2.476 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.657 -1.955 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.850 -2.085 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.782 0.359 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.342 0.599 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.523 -0.327 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.975 -1.045 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.371 1.085 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.846 1.080 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.115 2.789 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.536 2.066 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.691 2.960 5.537 1.00 0.00 H new ATOM 1504 N GLU A 93 12.541 -1.726 9.450 1.00 0.00 N ATOM 1505 CA GLU A 93 12.634 -1.285 10.834 1.00 0.00 C ATOM 1506 C GLU A 93 13.991 -0.676 11.089 1.00 0.00 C ATOM 1507 O GLU A 93 15.007 -1.371 11.028 1.00 0.00 O ATOM 1508 CB GLU A 93 12.438 -2.472 11.795 1.00 0.00 C ATOM 1509 CG GLU A 93 10.996 -2.992 11.723 1.00 0.00 C ATOM 1510 CD GLU A 93 10.816 -4.218 12.614 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.743 -4.581 13.313 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.756 -4.788 12.572 1.00 0.00 O ATOM 0 H GLU A 93 12.358 -2.722 9.332 1.00 0.00 H new ATOM 0 HA GLU A 93 11.853 -0.545 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.132 -3.272 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.669 -2.163 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.306 -2.207 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.747 -3.246 10.693 1.00 0.00 H new ATOM 1519 N SER A 94 14.010 0.589 11.467 1.00 0.00 N ATOM 1520 CA SER A 94 15.251 1.207 11.864 1.00 0.00 C ATOM 1521 C SER A 94 15.614 0.725 13.251 1.00 0.00 C ATOM 1522 O SER A 94 14.749 0.289 14.011 1.00 0.00 O ATOM 1523 CB SER A 94 15.146 2.729 11.815 1.00 0.00 C ATOM 1524 OG SER A 94 15.367 3.166 10.473 1.00 0.00 O ATOM 0 H SER A 94 13.192 1.196 11.506 1.00 0.00 H new ATOM 0 HA SER A 94 16.039 0.921 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.163 3.050 12.159 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.880 3.179 12.483 1.00 0.00 H new ATOM 0 HG SER A 94 14.579 3.654 10.154 1.00 0.00 H new ATOM 1604 N GLN A 99 9.372 3.740 13.729 1.00 0.00 N ATOM 1605 CA GLN A 99 8.760 3.440 12.449 1.00 0.00 C ATOM 1606 C GLN A 99 9.803 2.972 11.447 1.00 0.00 C ATOM 1607 O GLN A 99 10.831 3.629 11.252 1.00 0.00 O ATOM 1608 CB GLN A 99 8.007 4.660 11.899 1.00 0.00 C ATOM 1609 CG GLN A 99 6.956 5.141 12.916 1.00 0.00 C ATOM 1610 CD GLN A 99 5.605 4.484 12.645 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.630 5.167 12.332 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.481 3.195 12.748 1.00 0.00 N ATOM 0 HA GLN A 99 8.042 2.635 12.605 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.711 5.464 11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.521 4.402 10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.286 4.903 13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.857 6.225 12.859 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.286 2.624 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.579 2.754 12.570 1.00 0.00 H new ATOM 1621 N PRO A 100 9.545 1.880 10.774 1.00 0.00 N ATOM 1622 CA PRO A 100 10.476 1.376 9.730 1.00 0.00 C ATOM 1623 C PRO A 100 10.546 2.343 8.554 1.00 0.00 C ATOM 1624 O PRO A 100 9.563 3.025 8.240 1.00 0.00 O ATOM 1625 CB PRO A 100 9.861 0.039 9.310 1.00 0.00 C ATOM 1626 CG PRO A 100 8.410 0.207 9.570 1.00 0.00 C ATOM 1627 CD PRO A 100 8.315 1.059 10.833 1.00 0.00 C ATOM 0 HA PRO A 100 11.500 1.272 10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.055 -0.176 8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.275 -0.788 9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.915 0.695 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.923 -0.758 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.417 1.677 10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.283 0.445 11.733 1.00 0.00 H new ATOM 1635 N ASP A 101 11.697 2.402 7.917 1.00 0.00 N ATOM 1636 CA ASP A 101 11.891 3.298 6.785 1.00 0.00 C ATOM 1637 C ASP A 101 11.137 2.748 5.600 1.00 0.00 C ATOM 1638 O ASP A 101 11.248 1.557 5.308 1.00 0.00 O ATOM 1639 CB ASP A 101 13.376 3.362 6.422 1.00 0.00 C ATOM 1640 CG ASP A 101 14.233 3.529 7.659 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.891 4.331 8.500 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.235 2.847 7.744 1.00 0.00 O ATOM 0 H ASP A 101 12.515 1.843 8.160 1.00 0.00 H new ATOM 0 HA ASP A 101 11.533 4.294 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.665 2.452 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.551 4.194 5.739 1.00 0.00 H new ATOM 1647 N PHE A 102 10.448 3.607 4.862 1.00 0.00 N ATOM 1648 CA PHE A 102 9.712 3.150 3.685 1.00 0.00 C ATOM 1649 C PHE A 102 10.669 2.836 2.556 1.00 0.00 C ATOM 1650 O PHE A 102 11.077 3.731 1.821 1.00 0.00 O ATOM 1651 CB PHE A 102 8.730 4.224 3.208 1.00 0.00 C ATOM 1652 CG PHE A 102 7.680 4.476 4.253 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.719 3.505 4.513 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.657 5.691 4.950 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.731 3.735 5.466 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.668 5.924 5.910 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.703 4.942 6.166 1.00 0.00 C ATOM 0 H PHE A 102 10.381 4.607 5.050 1.00 0.00 H new ATOM 0 HA PHE A 102 9.161 2.252 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.268 5.148 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.258 3.907 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.739 2.569 3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.402 6.446 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.986 2.979 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.648 6.858 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.936 5.119 6.906 1.00 0.00 H new ATOM 1667 N ILE A 103 11.000 1.571 2.394 1.00 0.00 N ATOM 1668 CA ILE A 103 11.854 1.173 1.290 1.00 0.00 C ATOM 1669 C ILE A 103 11.135 1.365 -0.029 1.00 0.00 C ATOM 1670 O ILE A 103 11.700 1.873 -0.980 1.00 0.00 O ATOM 1671 CB ILE A 103 12.307 -0.289 1.426 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.231 -0.428 2.638 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.082 -0.705 0.161 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.497 -1.910 2.916 1.00 0.00 C ATOM 0 H ILE A 103 10.697 0.810 3.002 1.00 0.00 H new ATOM 0 HA ILE A 103 12.740 1.808 1.315 1.00 0.00 H new ATOM 0 HB ILE A 103 11.432 -0.926 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.171 0.092 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.775 0.040 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.404 -1.742 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.436 -0.604 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.955 -0.063 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.155 -2.006 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.554 -2.417 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.971 -2.364 2.046 1.00 0.00 H new ATOM 1686 N ASN A 104 9.891 0.934 -0.073 1.00 0.00 N ATOM 1687 CA ASN A 104 9.107 0.967 -1.298 1.00 0.00 C ATOM 1688 C ASN A 104 7.646 1.089 -0.953 1.00 0.00 C ATOM 1689 O ASN A 104 7.214 0.607 0.097 1.00 0.00 O ATOM 1690 CB ASN A 104 9.315 -0.344 -2.062 1.00 0.00 C ATOM 1691 CG ASN A 104 8.752 -0.250 -3.477 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.936 0.615 -3.781 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.154 -1.085 -4.365 1.00 0.00 N ATOM 0 H ASN A 104 9.394 0.553 0.732 1.00 0.00 H new ATOM 0 HA ASN A 104 9.421 1.815 -1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.379 -0.579 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.830 -1.161 -1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.795 -1.028 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.832 -1.806 -4.117 1.00 0.00 H new ATOM 1700 N MET A 105 6.868 1.615 -1.864 1.00 0.00 N ATOM 1701 CA MET A 105 5.430 1.663 -1.693 1.00 0.00 C ATOM 1702 C MET A 105 4.743 2.101 -2.975 1.00 0.00 C ATOM 1703 O MET A 105 5.084 3.151 -3.552 1.00 0.00 O ATOM 1704 CB MET A 105 5.027 2.511 -0.453 1.00 0.00 C ATOM 1705 CG MET A 105 4.321 3.806 -0.856 1.00 0.00 C ATOM 1706 SD MET A 105 2.652 3.436 -1.470 1.00 0.00 S ATOM 1707 CE MET A 105 1.902 3.031 0.125 1.00 0.00 C ATOM 0 H MET A 105 7.204 2.019 -2.738 1.00 0.00 H new ATOM 0 HA MET A 105 5.075 0.653 -1.485 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.371 1.925 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.917 2.748 0.130 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.262 4.479 -0.001 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.896 4.319 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.817 3.099 0.045 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.182 2.017 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.254 3.732 0.881 1.00 0.00 H new ATOM 1717 N TYR A 106 3.809 1.284 -3.451 1.00 0.00 N ATOM 1718 CA TYR A 106 3.127 1.577 -4.699 1.00 0.00 C ATOM 1719 C TYR A 106 1.675 1.137 -4.677 1.00 0.00 C ATOM 1720 O TYR A 106 1.263 0.323 -3.839 1.00 0.00 O ATOM 1721 CB TYR A 106 3.851 0.951 -5.897 1.00 0.00 C ATOM 1722 CG TYR A 106 3.875 -0.556 -5.779 1.00 0.00 C ATOM 1723 CD1 TYR A 106 2.831 -1.315 -6.323 1.00 0.00 C ATOM 1724 CD2 TYR A 106 4.943 -1.196 -5.138 1.00 0.00 C ATOM 1725 CE1 TYR A 106 2.853 -2.706 -6.228 1.00 0.00 C ATOM 1726 CE2 TYR A 106 4.963 -2.589 -5.042 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.918 -3.345 -5.589 1.00 0.00 C ATOM 1728 OH TYR A 106 3.938 -4.726 -5.492 1.00 0.00 O ATOM 0 H TYR A 106 3.511 0.422 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 106 3.145 2.661 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.352 1.240 -6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.870 1.333 -5.952 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.007 -0.822 -6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.750 -0.613 -4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.047 -3.289 -6.648 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.785 -3.084 -4.546 1.00 0.00 H new ATOM 0 HH TYR A 106 4.807 -5.063 -5.796 1.00 0.00 H new ATOM 1738 N VAL A 107 0.906 1.705 -5.589 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.513 1.437 -5.700 1.00 0.00 C ATOM 1740 C VAL A 107 -0.824 0.843 -7.081 1.00 0.00 C ATOM 1741 O VAL A 107 -0.475 1.432 -8.114 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.272 2.769 -5.508 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.754 2.621 -5.854 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.120 3.250 -4.059 1.00 0.00 C ATOM 0 H VAL A 107 1.254 2.371 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.824 0.719 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.840 3.505 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.259 3.576 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.856 2.312 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.206 1.869 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.657 4.190 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.531 2.501 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.064 3.402 -3.835 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.530 -0.287 -7.088 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.964 -0.931 -8.330 1.00 0.00 C ATOM 1756 C ASP A 108 -3.426 -0.601 -8.587 1.00 0.00 C ATOM 1757 O ASP A 108 -4.318 -1.135 -7.903 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.806 -2.457 -8.229 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.888 -3.108 -9.610 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.469 -2.520 -10.510 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.386 -4.200 -9.748 1.00 0.00 O ATOM 0 H ASP A 108 -1.816 -0.779 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.346 -0.562 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.849 -2.697 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.584 -2.865 -7.584 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.681 0.250 -9.559 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.044 0.634 -9.892 1.00 0.00 C ATOM 1768 C VAL A 109 -5.489 -0.045 -11.186 1.00 0.00 C ATOM 1769 O VAL A 109 -4.755 -0.046 -12.173 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.149 2.161 -10.023 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.621 2.579 -10.127 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.520 2.827 -8.790 1.00 0.00 C ATOM 0 H VAL A 109 -2.964 0.691 -10.135 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.704 0.308 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.620 2.477 -10.922 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.686 3.663 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.071 2.113 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.154 2.259 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.595 3.910 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.047 2.503 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.471 2.541 -8.717 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.670 -0.626 -11.198 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.191 -1.308 -12.423 1.00 0.00 C ATOM 1784 C PRO A 110 -7.318 -0.336 -13.599 1.00 0.00 C ATOM 1785 O PRO A 110 -7.804 0.802 -13.438 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.571 -1.814 -11.994 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.487 -1.953 -10.513 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.555 -0.848 -10.036 1.00 0.00 C ATOM 0 HA PRO A 110 -6.528 -2.101 -12.768 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.355 -1.113 -12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.807 -2.767 -12.467 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.472 -1.856 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.102 -2.934 -10.235 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.104 0.055 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.992 -1.150 -9.153 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.941 -0.793 -14.780 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.035 0.015 -15.994 1.00 0.00 C ATOM 1798 C GLY A 111 -6.054 1.187 -15.974 1.00 0.00 C ATOM 1799 O GLY A 111 -5.514 1.573 -17.016 1.00 0.00 O ATOM 0 H GLY A 111 -6.563 -1.728 -14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.835 -0.611 -16.864 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.052 0.394 -16.101 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.835 1.742 -14.796 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.937 2.875 -14.612 1.00 0.00 C ATOM 1805 C GLU A 112 -3.518 2.397 -14.359 1.00 0.00 C ATOM 1806 O GLU A 112 -3.298 1.229 -14.044 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.412 3.719 -13.427 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.725 4.421 -13.781 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.466 5.525 -14.785 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.756 6.445 -14.451 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.960 5.428 -15.876 1.00 0.00 O ATOM 0 H GLU A 112 -6.275 1.420 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.946 3.478 -15.520 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.553 3.085 -12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.653 4.457 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.432 3.701 -14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.180 4.835 -12.881 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.559 3.289 -14.528 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.170 2.948 -14.322 1.00 0.00 C ATOM 1820 C LYS A 113 -0.894 2.783 -12.838 1.00 0.00 C ATOM 1821 O LYS A 113 -1.445 3.516 -12.014 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.264 4.051 -14.887 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.675 4.392 -16.329 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.809 3.104 -17.142 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.607 3.388 -18.636 1.00 0.00 C ATOM 1826 NZ LYS A 113 -1.185 4.712 -18.992 1.00 0.00 N ATOM 0 H LYS A 113 -2.721 4.256 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.960 2.011 -14.839 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.331 4.942 -14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.776 3.724 -14.866 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.620 4.935 -16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.068 5.046 -16.785 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.074 2.374 -16.802 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.793 2.665 -16.979 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.456 3.371 -18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.080 2.605 -19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.415 4.729 -20.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.050 4.873 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.494 5.460 -18.781 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.006 1.860 -12.504 1.00 0.00 N ATOM 1841 CA ARG A 114 0.375 1.657 -11.120 1.00 0.00 C ATOM 1842 C ARG A 114 1.104 2.885 -10.627 1.00 0.00 C ATOM 1843 O ARG A 114 1.752 3.581 -11.414 1.00 0.00 O ATOM 1844 CB ARG A 114 1.254 0.391 -10.961 1.00 0.00 C ATOM 1845 CG ARG A 114 2.717 0.686 -11.343 1.00 0.00 C ATOM 1846 CD ARG A 114 2.831 0.932 -12.854 1.00 0.00 C ATOM 1847 NE ARG A 114 2.797 2.362 -13.116 1.00 0.00 N ATOM 1848 CZ ARG A 114 3.116 2.890 -14.291 1.00 0.00 C ATOM 1849 NH1 ARG A 114 3.432 2.121 -15.293 1.00 0.00 N ATOM 1850 NH2 ARG A 114 3.100 4.179 -14.434 1.00 0.00 N ATOM 0 H ARG A 114 0.461 1.244 -13.170 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.522 1.502 -10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.207 0.038 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.864 -0.409 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.074 1.559 -10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.352 -0.152 -11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.758 0.504 -13.234 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.013 0.436 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 114 2.515 2.988 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.435 1.108 -15.177 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.676 2.532 -16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.844 4.776 -13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.343 4.595 -15.333 1.00 0.00 H new ATOM 1864 N TYR A 115 0.970 3.188 -9.361 1.00 0.00 N ATOM 1865 CA TYR A 115 1.610 4.369 -8.822 1.00 0.00 C ATOM 1866 C TYR A 115 2.598 3.981 -7.752 1.00 0.00 C ATOM 1867 O TYR A 115 2.207 3.448 -6.715 1.00 0.00 O ATOM 1868 CB TYR A 115 0.557 5.311 -8.235 1.00 0.00 C ATOM 1869 CG TYR A 115 1.166 6.663 -7.934 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.172 7.656 -8.915 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.709 6.927 -6.671 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.719 8.910 -8.638 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.259 8.185 -6.399 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.260 9.174 -7.381 1.00 0.00 C ATOM 1875 OH TYR A 115 2.795 10.417 -7.110 1.00 0.00 O ATOM 0 H TYR A 115 0.431 2.643 -8.688 1.00 0.00 H new ATOM 0 HA TYR A 115 2.140 4.879 -9.626 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.269 5.426 -8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.143 4.881 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.753 7.454 -9.890 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.704 6.162 -5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.723 9.677 -9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.683 8.390 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 115 2.508 11.054 -7.798 1.00 0.00 H new ATOM 1885 N TYR A 116 3.853 4.353 -7.939 1.00 0.00 N ATOM 1886 CA TYR A 116 4.847 4.136 -6.909 1.00 0.00 C ATOM 1887 C TYR A 116 4.978 5.387 -6.080 1.00 0.00 C ATOM 1888 O TYR A 116 5.719 6.305 -6.435 1.00 0.00 O ATOM 1889 CB TYR A 116 6.205 3.776 -7.533 1.00 0.00 C ATOM 1890 CG TYR A 116 6.253 2.306 -7.892 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.637 1.836 -9.063 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.927 1.412 -7.052 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.704 0.474 -9.386 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.986 0.057 -7.374 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.377 -0.415 -8.540 1.00 0.00 C ATOM 1896 OH TYR A 116 6.443 -1.760 -8.860 1.00 0.00 O ATOM 0 H TYR A 116 4.202 4.802 -8.786 1.00 0.00 H new ATOM 0 HA TYR A 116 4.531 3.305 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.373 4.379 -8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.007 4.011 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.113 2.522 -9.713 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.403 1.773 -6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.236 0.110 -10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.504 -0.630 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 116 6.947 -2.237 -8.168 1.00 0.00 H new ATOM 1906 N LEU A 117 4.289 5.396 -4.955 1.00 0.00 N ATOM 1907 CA LEU A 117 4.331 6.509 -4.026 1.00 0.00 C ATOM 1908 C LEU A 117 5.729 6.653 -3.453 1.00 0.00 C ATOM 1909 O LEU A 117 6.259 7.761 -3.340 1.00 0.00 O ATOM 1910 CB LEU A 117 3.303 6.288 -2.915 1.00 0.00 C ATOM 1911 CG LEU A 117 3.318 7.440 -1.904 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.919 8.753 -2.586 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.338 7.126 -0.773 1.00 0.00 C ATOM 0 H LEU A 117 3.683 4.631 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 117 4.082 7.432 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.308 6.197 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.514 5.349 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 117 4.325 7.551 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.934 9.562 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.623 8.975 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.915 8.657 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.344 7.942 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.334 7.011 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.636 6.201 -0.279 1.00 0.00 H new ATOM 1925 N ILE A 118 6.319 5.523 -3.101 1.00 0.00 N ATOM 1926 CA ILE A 118 7.669 5.490 -2.573 1.00 0.00 C ATOM 1927 C ILE A 118 8.508 4.544 -3.420 1.00 0.00 C ATOM 1928 O ILE A 118 8.124 3.394 -3.639 1.00 0.00 O ATOM 1929 CB ILE A 118 7.641 5.042 -1.102 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.817 6.055 -0.290 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.066 4.979 -0.536 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.606 5.538 1.135 1.00 0.00 C ATOM 0 H ILE A 118 5.876 4.607 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 118 8.114 6.484 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 118 7.193 4.051 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.330 7.016 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.853 6.221 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.030 4.661 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.656 4.267 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.526 5.965 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.021 6.262 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.073 4.588 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.573 5.395 1.617 1.00 0.00 H new ATOM 1944 N LYS A 119 9.618 5.045 -3.940 1.00 0.00 N ATOM 1945 CA LYS A 119 10.461 4.249 -4.822 1.00 0.00 C ATOM 1946 C LYS A 119 11.547 3.521 -4.039 1.00 0.00 C ATOM 1947 O LYS A 119 12.250 4.131 -3.230 1.00 0.00 O ATOM 1948 CB LYS A 119 11.118 5.123 -5.915 1.00 0.00 C ATOM 1949 CG LYS A 119 10.268 6.374 -6.221 1.00 0.00 C ATOM 1950 CD LYS A 119 8.939 5.968 -6.875 1.00 0.00 C ATOM 1951 CE LYS A 119 8.275 7.207 -7.504 1.00 0.00 C ATOM 1952 NZ LYS A 119 7.110 6.793 -8.322 1.00 0.00 N ATOM 0 H LYS A 119 9.955 5.992 -3.769 1.00 0.00 H new ATOM 0 HA LYS A 119 9.813 3.514 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.113 5.428 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.245 4.536 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.075 6.925 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.818 7.043 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.114 5.210 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.276 5.525 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.955 7.896 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.995 7.741 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.728 7.619 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.408 6.075 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.376 6.394 -7.703 1.00 0.00 H new ATOM 1966 N PRO A 120 11.762 2.267 -4.345 1.00 0.00 N ATOM 1967 CA PRO A 120 12.867 1.476 -3.738 1.00 0.00 C ATOM 1968 C PRO A 120 14.227 1.972 -4.194 1.00 0.00 C ATOM 1969 O PRO A 120 14.332 2.689 -5.199 1.00 0.00 O ATOM 1970 CB PRO A 120 12.594 0.042 -4.181 1.00 0.00 C ATOM 1971 CG PRO A 120 11.798 0.169 -5.435 1.00 0.00 C ATOM 1972 CD PRO A 120 10.988 1.462 -5.309 1.00 0.00 C ATOM 0 HA PRO A 120 12.895 1.565 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.523 -0.500 -4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.043 -0.508 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.451 0.204 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.139 -0.690 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.892 1.970 -6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.978 1.268 -4.949 1.00 0.00 H new ATOM 1980 N LYS A 121 15.238 1.710 -3.389 1.00 0.00 N ATOM 1981 CA LYS A 121 16.572 2.244 -3.629 1.00 0.00 C ATOM 1982 C LYS A 121 17.165 1.673 -4.910 1.00 0.00 C ATOM 1983 O LYS A 121 18.257 1.088 -4.905 1.00 0.00 O ATOM 1984 CB LYS A 121 17.509 1.970 -2.429 1.00 0.00 C ATOM 1985 CG LYS A 121 16.713 1.682 -1.135 1.00 0.00 C ATOM 1986 CD LYS A 121 15.635 2.758 -0.889 1.00 0.00 C ATOM 1987 CE LYS A 121 16.210 3.891 -0.042 1.00 0.00 C ATOM 1988 NZ LYS A 121 16.525 3.387 1.321 1.00 0.00 N ATOM 0 H LYS A 121 15.164 1.126 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 121 16.479 3.324 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.153 1.120 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.160 2.830 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.242 0.702 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.395 1.647 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.277 3.150 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.776 2.315 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.111 4.288 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.495 4.711 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.389 4.151 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.894 2.594 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.513 3.064 1.352 1.00 0.00 H new