USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 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 88 HIS : no HD1:sc= -4.02! C(o=-4!,f=-12!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 SER OG : rot 144:sc= 1.14 USER MOD Set 2.2: A 72 HIS : no HD1:sc= -5.53! C(o=-4.4!,f=-13!) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0617 K(o=0.71,f=-5.6!) USER MOD Set 3.2: A 115 TYR OH : rot 83:sc= 0.772 USER MOD Single : A 5 SER OG : rot 17:sc= 0.69 USER MOD Single : A 8 THR OG1 : rot 24:sc= 0.0845 USER MOD Single : A 9 GLN : amide:sc= -1.79! C(o=-1.8!,f=-12!) USER MOD Single : A 12 ASN : amide:sc= 0.169 K(o=0.17,f=-1.5) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= -1.48 (180deg=-2.07!) USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= 0.566 (180deg=-0.156) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.199 (180deg=-1.17) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0118 K(o=-0.012,f=-4.5!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 57:sc= 0.967 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.0355 (180deg=-2.01!) USER MOD Single : A 43 TYR OH : rot 123:sc= 1.15 USER MOD Single : A 61 THR OG1 : rot 83:sc= -0.733 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.401 (180deg=-0.938) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0.455 (180deg=-2.01!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 71 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-4.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 148:sc= -5.87! (180deg=-7.4!) USER MOD Single : A 77 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-8.9!) USER MOD Single : A 80 SER OG : rot -43:sc= -0.762! USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -2.97! (180deg=-4.24!) USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -0.0129 (180deg=-0.33) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0745) USER MOD Single : A 94 SER OG : rot 83:sc= 0.924 USER MOD Single : A 99 GLN : amide:sc= -3.55! C(o=-3.5!,f=-7.8!) USER MOD Single : A 104 ASN : amide:sc= -4.29! C(o=-4.3!,f=-12!) USER MOD Single : A 105 MET CE :methyl 170:sc= -4.44! (180deg=-4.56!) USER MOD Single : A 113 LYS NZ :NH3+ -149:sc= -0.44! (180deg=-2.01!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -178:sc= -0.131 (180deg=-0.16) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= -0.843 (180deg=-1.4) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.943 -1.413 16.710 1.00 0.00 N ATOM 43 CA SER A 5 1.285 -0.356 15.984 1.00 0.00 C ATOM 44 C SER A 5 1.975 -0.101 14.656 1.00 0.00 C ATOM 45 O SER A 5 1.515 0.713 13.873 1.00 0.00 O ATOM 46 CB SER A 5 1.298 0.918 16.822 1.00 0.00 C ATOM 47 OG SER A 5 1.197 0.563 18.201 1.00 0.00 O ATOM 0 HA SER A 5 0.257 -0.658 15.784 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.216 1.478 16.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.469 1.565 16.537 1.00 0.00 H new ATOM 0 HG SER A 5 1.419 -0.385 18.312 1.00 0.00 H new ATOM 53 N GLY A 6 3.109 -0.751 14.438 1.00 0.00 N ATOM 54 CA GLY A 6 3.907 -0.508 13.244 1.00 0.00 C ATOM 55 C GLY A 6 3.068 -0.608 11.981 1.00 0.00 C ATOM 56 O GLY A 6 2.967 0.357 11.228 1.00 0.00 O ATOM 0 H GLY A 6 3.497 -1.450 15.071 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.360 0.482 13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.723 -1.229 13.198 1.00 0.00 H new ATOM 60 N ASP A 7 2.399 -1.739 11.780 1.00 0.00 N ATOM 61 CA ASP A 7 1.552 -1.898 10.596 1.00 0.00 C ATOM 62 C ASP A 7 0.433 -0.892 10.608 1.00 0.00 C ATOM 63 O ASP A 7 0.135 -0.260 9.597 1.00 0.00 O ATOM 64 CB ASP A 7 0.987 -3.325 10.477 1.00 0.00 C ATOM 65 CG ASP A 7 0.346 -3.817 11.776 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.256 -3.027 12.483 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.466 -4.989 12.046 1.00 0.00 O ATOM 0 H ASP A 7 2.423 -2.545 12.405 1.00 0.00 H new ATOM 0 HA ASP A 7 2.180 -1.721 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.246 -3.352 9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.789 -4.006 10.192 1.00 0.00 H new ATOM 72 N THR A 8 -0.122 -0.691 11.763 1.00 0.00 N ATOM 73 CA THR A 8 -1.163 0.273 11.957 1.00 0.00 C ATOM 74 C THR A 8 -0.630 1.657 11.623 1.00 0.00 C ATOM 75 O THR A 8 -1.216 2.396 10.823 1.00 0.00 O ATOM 76 CB THR A 8 -1.617 0.191 13.413 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.866 -1.181 13.737 1.00 0.00 O ATOM 78 CG2 THR A 8 -2.885 1.020 13.627 1.00 0.00 C ATOM 0 H THR A 8 0.138 -1.198 12.609 1.00 0.00 H new ATOM 0 HA THR A 8 -2.013 0.073 11.305 1.00 0.00 H new ATOM 0 HB THR A 8 -0.838 0.592 14.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.348 -1.758 13.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.194 0.950 14.670 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.685 2.062 13.377 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.681 0.640 12.987 1.00 0.00 H new ATOM 86 N GLN A 9 0.531 1.959 12.154 1.00 0.00 N ATOM 87 CA GLN A 9 1.183 3.203 11.866 1.00 0.00 C ATOM 88 C GLN A 9 1.530 3.286 10.400 1.00 0.00 C ATOM 89 O GLN A 9 1.181 4.253 9.732 1.00 0.00 O ATOM 90 CB GLN A 9 2.457 3.329 12.708 1.00 0.00 C ATOM 91 CG GLN A 9 2.194 4.234 13.907 1.00 0.00 C ATOM 92 CD GLN A 9 2.519 5.667 13.522 1.00 0.00 C ATOM 93 OE1 GLN A 9 3.641 6.131 13.738 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.632 6.382 12.914 1.00 0.00 N ATOM 0 H GLN A 9 1.043 1.351 12.793 1.00 0.00 H new ATOM 0 HA GLN A 9 0.505 4.020 12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.779 2.344 13.047 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.266 3.738 12.102 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.152 4.154 14.218 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.805 3.924 14.755 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.704 5.999 12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.860 7.330 12.613 1.00 0.00 H new ATOM 103 N LEU A 10 2.154 2.242 9.881 1.00 0.00 N ATOM 104 CA LEU A 10 2.522 2.255 8.486 1.00 0.00 C ATOM 105 C LEU A 10 1.279 2.335 7.627 1.00 0.00 C ATOM 106 O LEU A 10 1.243 3.071 6.649 1.00 0.00 O ATOM 107 CB LEU A 10 3.357 1.031 8.088 1.00 0.00 C ATOM 108 CG LEU A 10 4.717 1.018 8.828 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.632 -0.032 8.215 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.403 2.388 8.786 1.00 0.00 C ATOM 0 H LEU A 10 2.409 1.398 10.393 1.00 0.00 H new ATOM 0 HA LEU A 10 3.144 3.135 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.805 0.120 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.526 1.037 7.011 1.00 0.00 H new ATOM 0 HG LEU A 10 4.521 0.774 9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.587 -0.035 8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.167 -1.014 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.798 0.200 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.354 2.335 9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.581 2.674 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.763 3.130 9.262 1.00 0.00 H new ATOM 122 N PHE A 11 0.252 1.592 8.000 1.00 0.00 N ATOM 123 CA PHE A 11 -0.995 1.612 7.257 1.00 0.00 C ATOM 124 C PHE A 11 -1.588 2.998 7.226 1.00 0.00 C ATOM 125 O PHE A 11 -1.919 3.509 6.162 1.00 0.00 O ATOM 126 CB PHE A 11 -2.009 0.644 7.878 1.00 0.00 C ATOM 127 CG PHE A 11 -3.380 0.883 7.265 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.664 0.457 5.962 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.361 1.551 8.010 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.922 0.697 5.409 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.622 1.783 7.456 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.905 1.356 6.157 1.00 0.00 C ATOM 0 H PHE A 11 0.256 0.970 8.809 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.772 1.300 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.697 -0.386 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.051 0.788 8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.909 -0.057 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.142 1.887 9.013 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.138 0.374 4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.379 2.293 8.033 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.881 1.534 5.730 1.00 0.00 H new ATOM 142 N ASN A 12 -1.682 3.628 8.383 1.00 0.00 N ATOM 143 CA ASN A 12 -2.243 4.969 8.441 1.00 0.00 C ATOM 144 C ASN A 12 -1.377 5.895 7.643 1.00 0.00 C ATOM 145 O ASN A 12 -1.860 6.692 6.840 1.00 0.00 O ATOM 146 CB ASN A 12 -2.287 5.459 9.884 1.00 0.00 C ATOM 147 CG ASN A 12 -3.411 4.776 10.626 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.573 5.186 10.520 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.147 3.738 11.343 1.00 0.00 N ATOM 0 H ASN A 12 -1.384 3.244 9.280 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.255 4.950 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.337 5.252 10.376 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.429 6.539 9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.899 3.248 11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.186 3.406 11.425 1.00 0.00 H new ATOM 156 N ARG A 13 -0.088 5.730 7.818 1.00 0.00 N ATOM 157 CA ARG A 13 0.876 6.510 7.097 1.00 0.00 C ATOM 158 C ARG A 13 0.761 6.211 5.606 1.00 0.00 C ATOM 159 O ARG A 13 0.685 7.115 4.792 1.00 0.00 O ATOM 160 CB ARG A 13 2.264 6.116 7.601 1.00 0.00 C ATOM 161 CG ARG A 13 2.454 6.642 9.034 1.00 0.00 C ATOM 162 CD ARG A 13 3.756 6.077 9.619 1.00 0.00 C ATOM 163 NE ARG A 13 3.965 6.537 10.992 1.00 0.00 N ATOM 164 CZ ARG A 13 4.504 7.718 11.291 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.857 8.537 10.342 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.679 8.045 12.542 1.00 0.00 N ATOM 0 H ARG A 13 0.317 5.052 8.464 1.00 0.00 H new ATOM 0 HA ARG A 13 0.704 7.575 7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.376 5.032 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.032 6.528 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.487 7.732 9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.607 6.350 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.724 4.988 9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.599 6.382 8.999 1.00 0.00 H new ATOM 0 HE ARG A 13 3.684 5.924 11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.721 8.275 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.269 9.440 10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.404 7.398 13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.091 8.947 12.781 1.00 0.00 H new ATOM 180 N ALA A 14 0.675 4.932 5.265 1.00 0.00 N ATOM 181 CA ALA A 14 0.553 4.515 3.869 1.00 0.00 C ATOM 182 C ALA A 14 -0.795 4.890 3.276 1.00 0.00 C ATOM 183 O ALA A 14 -0.861 5.508 2.207 1.00 0.00 O ATOM 184 CB ALA A 14 0.769 3.006 3.738 1.00 0.00 C ATOM 0 H ALA A 14 0.687 4.163 5.935 1.00 0.00 H new ATOM 0 HA ALA A 14 1.325 5.044 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.674 2.714 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.765 2.748 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.022 2.479 4.331 1.00 0.00 H new ATOM 190 N VAL A 15 -1.862 4.496 3.948 1.00 0.00 N ATOM 191 CA VAL A 15 -3.196 4.746 3.449 1.00 0.00 C ATOM 192 C VAL A 15 -3.443 6.241 3.317 1.00 0.00 C ATOM 193 O VAL A 15 -3.984 6.703 2.316 1.00 0.00 O ATOM 194 CB VAL A 15 -4.258 4.074 4.355 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.611 4.971 5.542 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.525 3.756 3.544 1.00 0.00 C ATOM 0 H VAL A 15 -1.827 4.002 4.840 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.284 4.303 2.457 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.836 3.145 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.358 4.476 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.716 5.160 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.011 5.917 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.263 3.284 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.937 4.679 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.274 3.079 2.727 1.00 0.00 H new ATOM 206 N SER A 16 -2.980 7.010 4.289 1.00 0.00 N ATOM 207 CA SER A 16 -3.167 8.432 4.228 1.00 0.00 C ATOM 208 C SER A 16 -2.466 8.985 3.010 1.00 0.00 C ATOM 209 O SER A 16 -3.022 9.808 2.285 1.00 0.00 O ATOM 210 CB SER A 16 -2.649 9.111 5.503 1.00 0.00 C ATOM 211 OG SER A 16 -2.908 10.520 5.441 1.00 0.00 O ATOM 0 H SER A 16 -2.482 6.672 5.112 1.00 0.00 H new ATOM 0 HA SER A 16 -4.234 8.640 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.135 8.681 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.579 8.933 5.612 1.00 0.00 H new ATOM 0 HG SER A 16 -2.577 10.950 6.257 1.00 0.00 H new ATOM 217 N MET A 17 -1.236 8.547 2.779 1.00 0.00 N ATOM 218 CA MET A 17 -0.499 9.047 1.644 1.00 0.00 C ATOM 219 C MET A 17 -1.147 8.623 0.326 1.00 0.00 C ATOM 220 O MET A 17 -1.268 9.428 -0.591 1.00 0.00 O ATOM 221 CB MET A 17 0.974 8.616 1.676 1.00 0.00 C ATOM 222 CG MET A 17 1.659 9.214 2.908 1.00 0.00 C ATOM 223 SD MET A 17 3.457 8.931 2.820 1.00 0.00 S ATOM 224 CE MET A 17 3.472 7.145 3.161 1.00 0.00 C ATOM 0 H MET A 17 -0.743 7.862 3.352 1.00 0.00 H new ATOM 0 HA MET A 17 -0.529 10.135 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.044 7.529 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.480 8.948 0.769 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.453 10.283 2.966 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.255 8.762 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.478 6.838 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.780 6.924 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.167 6.601 2.267 1.00 0.00 H new ATOM 234 N VAL A 18 -1.544 7.354 0.224 1.00 0.00 N ATOM 235 CA VAL A 18 -2.130 6.870 -1.029 1.00 0.00 C ATOM 236 C VAL A 18 -3.504 7.463 -1.301 1.00 0.00 C ATOM 237 O VAL A 18 -3.784 7.889 -2.418 1.00 0.00 O ATOM 238 CB VAL A 18 -2.175 5.338 -1.097 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.757 4.777 -1.018 1.00 0.00 C ATOM 240 CG2 VAL A 18 -3.005 4.786 0.055 1.00 0.00 C ATOM 0 H VAL A 18 -1.475 6.660 0.968 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.464 7.218 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.632 5.040 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.793 3.689 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.168 5.158 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.296 5.083 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.030 3.698 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.559 5.088 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.021 5.176 -0.009 1.00 0.00 H new ATOM 250 N GLU A 19 -4.350 7.520 -0.279 1.00 0.00 N ATOM 251 CA GLU A 19 -5.687 8.053 -0.469 1.00 0.00 C ATOM 252 C GLU A 19 -5.594 9.509 -0.863 1.00 0.00 C ATOM 253 O GLU A 19 -6.466 10.039 -1.555 1.00 0.00 O ATOM 254 CB GLU A 19 -6.490 7.987 0.829 1.00 0.00 C ATOM 255 CG GLU A 19 -6.797 6.550 1.260 1.00 0.00 C ATOM 256 CD GLU A 19 -7.540 6.585 2.593 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.667 7.671 3.161 1.00 0.00 O ATOM 258 OE2 GLU A 19 -8.003 5.556 3.021 1.00 0.00 O ATOM 0 H GLU A 19 -4.138 7.210 0.669 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.177 7.460 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.935 8.489 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.425 8.532 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.402 6.050 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.873 5.980 1.358 1.00 0.00 H new ATOM 265 N LYS A 20 -4.654 10.196 -0.238 1.00 0.00 N ATOM 266 CA LYS A 20 -4.559 11.637 -0.361 1.00 0.00 C ATOM 267 C LYS A 20 -3.548 12.046 -1.429 1.00 0.00 C ATOM 268 O LYS A 20 -3.394 13.235 -1.717 1.00 0.00 O ATOM 269 CB LYS A 20 -4.208 12.256 0.997 1.00 0.00 C ATOM 270 CG LYS A 20 -5.175 11.698 2.072 1.00 0.00 C ATOM 271 CD LYS A 20 -6.620 12.148 1.794 1.00 0.00 C ATOM 272 CE LYS A 20 -7.564 10.933 1.837 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.446 10.215 3.145 1.00 0.00 N ATOM 0 H LYS A 20 -3.944 9.776 0.362 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.530 12.016 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.177 12.023 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.287 13.342 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.124 10.609 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.866 12.042 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.929 12.886 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.679 12.631 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.593 11.261 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.325 10.252 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.341 9.195 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.614 10.566 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.301 10.384 3.712 1.00 0.00 H new ATOM 287 N ASN A 21 -2.869 11.071 -2.029 1.00 0.00 N ATOM 288 CA ASN A 21 -1.899 11.380 -3.080 1.00 0.00 C ATOM 289 C ASN A 21 -2.615 11.841 -4.332 1.00 0.00 C ATOM 290 O ASN A 21 -3.492 11.149 -4.857 1.00 0.00 O ATOM 291 CB ASN A 21 -0.994 10.186 -3.399 1.00 0.00 C ATOM 292 CG ASN A 21 0.036 10.580 -4.452 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.240 10.514 -5.652 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.207 10.999 -4.085 1.00 0.00 N ATOM 0 H ASN A 21 -2.968 10.079 -1.812 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.261 12.183 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.490 9.849 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.594 9.350 -3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.894 11.272 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.441 11.056 -3.094 1.00 0.00 H new ATOM 301 N LYS A 22 -2.312 13.049 -4.744 1.00 0.00 N ATOM 302 CA LYS A 22 -3.008 13.701 -5.837 1.00 0.00 C ATOM 303 C LYS A 22 -3.098 12.829 -7.091 1.00 0.00 C ATOM 304 O LYS A 22 -4.174 12.712 -7.690 1.00 0.00 O ATOM 305 CB LYS A 22 -2.343 15.059 -6.149 1.00 0.00 C ATOM 306 CG LYS A 22 -0.977 14.874 -6.855 1.00 0.00 C ATOM 307 CD LYS A 22 0.037 14.102 -5.969 1.00 0.00 C ATOM 308 CE LYS A 22 0.495 14.960 -4.777 1.00 0.00 C ATOM 309 NZ LYS A 22 0.786 16.342 -5.235 1.00 0.00 N ATOM 0 H LYS A 22 -1.571 13.614 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.035 13.870 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.003 15.652 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.203 15.618 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.123 14.336 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.566 15.851 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.420 13.182 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.901 13.813 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.279 14.977 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.384 14.523 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.357 16.833 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.312 16.307 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.107 16.856 -5.378 1.00 0.00 H new ATOM 323 N ASP A 23 -1.986 12.220 -7.492 1.00 0.00 N ATOM 324 CA ASP A 23 -1.989 11.367 -8.680 1.00 0.00 C ATOM 325 C ASP A 23 -2.866 10.151 -8.444 1.00 0.00 C ATOM 326 O ASP A 23 -3.668 9.765 -9.301 1.00 0.00 O ATOM 327 CB ASP A 23 -0.575 10.911 -9.039 1.00 0.00 C ATOM 328 CG ASP A 23 -0.554 10.377 -10.460 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.673 11.170 -11.370 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.452 9.190 -10.628 1.00 0.00 O ATOM 0 H ASP A 23 -1.084 12.298 -7.022 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.385 11.952 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.121 11.744 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.245 10.138 -8.345 1.00 0.00 H new ATOM 335 N ILE A 24 -2.742 9.585 -7.251 1.00 0.00 N ATOM 336 CA ILE A 24 -3.544 8.443 -6.853 1.00 0.00 C ATOM 337 C ILE A 24 -5.008 8.826 -6.803 1.00 0.00 C ATOM 338 O ILE A 24 -5.866 8.074 -7.248 1.00 0.00 O ATOM 339 CB ILE A 24 -3.070 7.850 -5.515 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.681 7.231 -5.706 1.00 0.00 C ATOM 341 CG2 ILE A 24 -4.039 6.752 -5.060 1.00 0.00 C ATOM 342 CD1 ILE A 24 -1.103 6.825 -4.351 1.00 0.00 C ATOM 0 H ILE A 24 -2.086 9.904 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.417 7.662 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.034 8.640 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.748 6.360 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.019 7.946 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.698 6.336 -4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.035 7.176 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.073 5.963 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.116 6.386 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.020 7.705 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.760 6.095 -3.879 1.00 0.00 H new ATOM 354 N ARG A 25 -5.304 9.999 -6.272 1.00 0.00 N ATOM 355 CA ARG A 25 -6.691 10.435 -6.188 1.00 0.00 C ATOM 356 C ARG A 25 -7.346 10.354 -7.548 1.00 0.00 C ATOM 357 O ARG A 25 -8.448 9.828 -7.679 1.00 0.00 O ATOM 358 CB ARG A 25 -6.776 11.867 -5.672 1.00 0.00 C ATOM 359 CG ARG A 25 -6.526 11.901 -4.162 1.00 0.00 C ATOM 360 CD ARG A 25 -6.529 13.352 -3.691 1.00 0.00 C ATOM 361 NE ARG A 25 -7.809 13.986 -4.033 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.733 14.319 -3.123 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.513 14.128 -1.850 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.848 14.852 -3.514 1.00 0.00 N ATOM 0 H ARG A 25 -4.620 10.657 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.211 9.776 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.042 12.490 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.758 12.284 -5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.297 11.334 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.571 11.431 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.369 13.394 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.708 13.896 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.004 14.183 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.630 13.721 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.224 14.385 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.015 15.014 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.558 15.109 -2.829 1.00 0.00 H new ATOM 378 N SER A 26 -6.632 10.779 -8.565 1.00 0.00 N ATOM 379 CA SER A 26 -7.105 10.628 -9.927 1.00 0.00 C ATOM 380 C SER A 26 -7.273 9.140 -10.260 1.00 0.00 C ATOM 381 O SER A 26 -8.309 8.722 -10.795 1.00 0.00 O ATOM 382 CB SER A 26 -6.124 11.279 -10.893 1.00 0.00 C ATOM 383 OG SER A 26 -6.157 12.694 -10.731 1.00 0.00 O ATOM 0 H SER A 26 -5.722 11.232 -8.478 1.00 0.00 H new ATOM 0 HA SER A 26 -8.072 11.121 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.116 10.906 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.380 11.015 -11.919 1.00 0.00 H new ATOM 0 HG SER A 26 -5.523 13.109 -11.353 1.00 0.00 H new ATOM 389 N LEU A 27 -6.305 8.332 -9.831 1.00 0.00 N ATOM 390 CA LEU A 27 -6.381 6.878 -10.009 1.00 0.00 C ATOM 391 C LEU A 27 -7.581 6.345 -9.239 1.00 0.00 C ATOM 392 O LEU A 27 -8.316 5.479 -9.719 1.00 0.00 O ATOM 393 CB LEU A 27 -5.109 6.194 -9.482 1.00 0.00 C ATOM 394 CG LEU A 27 -3.895 6.573 -10.343 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.619 6.018 -9.696 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.053 5.984 -11.749 1.00 0.00 C ATOM 0 H LEU A 27 -5.461 8.655 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.481 6.663 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.934 6.488 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.242 5.112 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.827 7.659 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.756 6.286 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.504 6.441 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.690 4.933 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.190 6.255 -12.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.123 4.898 -11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.959 6.379 -12.209 1.00 0.00 H new ATOM 408 N LEU A 28 -7.785 6.892 -8.051 1.00 0.00 N ATOM 409 CA LEU A 28 -8.909 6.513 -7.216 1.00 0.00 C ATOM 410 C LEU A 28 -10.144 7.297 -7.640 1.00 0.00 C ATOM 411 O LEU A 28 -11.215 7.189 -7.021 1.00 0.00 O ATOM 412 CB LEU A 28 -8.608 6.763 -5.724 1.00 0.00 C ATOM 413 CG LEU A 28 -7.400 5.933 -5.258 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.095 6.260 -3.791 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.691 4.432 -5.394 1.00 0.00 C ATOM 0 H LEU A 28 -7.181 7.605 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.090 5.446 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.410 7.823 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.482 6.507 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.542 6.182 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.239 5.673 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.867 7.321 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.962 6.018 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.825 3.862 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.555 4.172 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.901 4.195 -6.437 1.00 0.00 H new ATOM 427 N GLN A 29 -9.978 8.122 -8.665 1.00 0.00 N ATOM 428 CA GLN A 29 -11.056 8.949 -9.168 1.00 0.00 C ATOM 429 C GLN A 29 -11.799 9.591 -7.999 1.00 0.00 C ATOM 430 O GLN A 29 -13.033 9.529 -7.910 1.00 0.00 O ATOM 431 CB GLN A 29 -12.001 8.104 -10.046 1.00 0.00 C ATOM 432 CG GLN A 29 -11.202 6.986 -10.760 1.00 0.00 C ATOM 433 CD GLN A 29 -11.531 6.957 -12.242 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.620 6.536 -12.630 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.660 7.388 -13.095 1.00 0.00 N ATOM 0 H GLN A 29 -9.096 8.233 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.650 9.747 -9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.787 7.665 -9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.491 8.740 -10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.133 7.151 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.436 6.021 -10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.758 7.737 -12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.875 7.379 -14.092 1.00 0.00 H new ATOM 444 N CYS A 30 -11.013 10.131 -7.071 1.00 0.00 N ATOM 445 CA CYS A 30 -11.506 10.713 -5.816 1.00 0.00 C ATOM 446 C CYS A 30 -12.507 11.858 -6.053 1.00 0.00 C ATOM 447 O CYS A 30 -12.343 12.956 -5.525 1.00 0.00 O ATOM 448 CB CYS A 30 -10.315 11.213 -4.988 1.00 0.00 C ATOM 449 SG CYS A 30 -10.682 11.061 -3.225 1.00 0.00 S ATOM 0 H CYS A 30 -9.999 10.179 -7.167 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.040 9.933 -5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.423 10.636 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.100 12.253 -5.235 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.667 11.485 -2.532 1.00 0.00 H new ATOM 455 N ASP A 31 -13.557 11.576 -6.810 1.00 0.00 N ATOM 456 CA ASP A 31 -14.593 12.556 -7.110 1.00 0.00 C ATOM 457 C ASP A 31 -15.816 12.355 -6.224 1.00 0.00 C ATOM 458 O ASP A 31 -16.512 11.341 -6.347 1.00 0.00 O ATOM 459 CB ASP A 31 -14.999 12.439 -8.580 1.00 0.00 C ATOM 460 CG ASP A 31 -15.844 13.625 -9.014 1.00 0.00 C ATOM 461 OD1 ASP A 31 -16.299 14.366 -8.168 1.00 0.00 O ATOM 462 OD2 ASP A 31 -16.021 13.781 -10.201 1.00 0.00 O ATOM 0 H ASP A 31 -13.716 10.662 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.190 13.550 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.106 12.378 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.558 11.516 -8.733 1.00 0.00 H new ATOM 467 N ASP A 32 -16.101 13.325 -5.372 1.00 0.00 N ATOM 468 CA ASP A 32 -17.294 13.281 -4.524 1.00 0.00 C ATOM 469 C ASP A 32 -18.357 14.238 -5.021 1.00 0.00 C ATOM 470 O ASP A 32 -18.070 15.402 -5.300 1.00 0.00 O ATOM 471 CB ASP A 32 -16.949 13.624 -3.072 1.00 0.00 C ATOM 472 CG ASP A 32 -16.530 12.386 -2.322 1.00 0.00 C ATOM 473 OD1 ASP A 32 -17.292 11.454 -2.276 1.00 0.00 O ATOM 474 OD2 ASP A 32 -15.441 12.378 -1.802 1.00 0.00 O ATOM 0 H ASP A 32 -15.525 14.157 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.682 12.264 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.146 14.361 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.812 14.077 -2.584 1.00 0.00 H new ATOM 479 N GLY A 33 -19.600 13.787 -5.019 1.00 0.00 N ATOM 480 CA GLY A 33 -20.725 14.630 -5.399 1.00 0.00 C ATOM 481 C GLY A 33 -21.231 14.286 -6.782 1.00 0.00 C ATOM 482 O GLY A 33 -22.355 14.648 -7.147 1.00 0.00 O ATOM 0 H GLY A 33 -19.858 12.836 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.531 14.511 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.423 15.677 -5.371 1.00 0.00 H new ATOM 486 N ILE A 34 -20.433 13.561 -7.539 1.00 0.00 N ATOM 487 CA ILE A 34 -20.851 13.127 -8.857 1.00 0.00 C ATOM 488 C ILE A 34 -21.919 12.055 -8.733 1.00 0.00 C ATOM 489 O ILE A 34 -23.104 12.365 -8.587 1.00 0.00 O ATOM 490 CB ILE A 34 -19.631 12.658 -9.684 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.091 11.947 -10.971 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.717 11.742 -8.858 1.00 0.00 C ATOM 493 CD1 ILE A 34 -20.607 12.973 -11.973 1.00 0.00 C ATOM 0 H ILE A 34 -19.497 13.261 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.292 13.965 -9.396 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.056 13.541 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -19.262 11.388 -11.404 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.875 11.226 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.869 11.429 -9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.356 12.282 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.277 10.863 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -20.931 12.464 -12.881 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.449 13.513 -11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -19.811 13.677 -12.216 1.00 0.00 H new ATOM 505 N THR A 35 -21.494 10.817 -8.646 1.00 0.00 N ATOM 506 CA THR A 35 -22.392 9.712 -8.433 1.00 0.00 C ATOM 507 C THR A 35 -22.817 9.696 -6.972 1.00 0.00 C ATOM 508 O THR A 35 -22.534 8.738 -6.240 1.00 0.00 O ATOM 509 CB THR A 35 -21.680 8.399 -8.829 1.00 0.00 C ATOM 510 OG1 THR A 35 -20.941 7.879 -7.727 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.707 8.654 -9.975 1.00 0.00 C ATOM 0 H THR A 35 -20.513 10.549 -8.721 1.00 0.00 H new ATOM 0 HA THR A 35 -23.285 9.815 -9.050 1.00 0.00 H new ATOM 0 HB THR A 35 -22.444 7.683 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.541 7.751 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.211 7.722 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.253 9.038 -10.837 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.961 9.385 -9.663 1.00 0.00 H new ATOM 519 N GLY A 36 -23.238 10.850 -6.490 1.00 0.00 N ATOM 520 CA GLY A 36 -23.398 11.031 -5.076 1.00 0.00 C ATOM 521 C GLY A 36 -22.019 11.214 -4.502 1.00 0.00 C ATOM 522 O GLY A 36 -21.098 11.610 -5.230 1.00 0.00 O ATOM 0 H GLY A 36 -23.471 11.664 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -24.023 11.899 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.891 10.168 -4.629 1.00 0.00 H new ATOM 526 N LYS A 37 -21.818 10.804 -3.274 1.00 0.00 N ATOM 527 CA LYS A 37 -20.478 10.813 -2.716 1.00 0.00 C ATOM 528 C LYS A 37 -20.037 9.389 -2.436 1.00 0.00 C ATOM 529 O LYS A 37 -20.656 8.681 -1.635 1.00 0.00 O ATOM 530 CB LYS A 37 -20.452 11.638 -1.427 1.00 0.00 C ATOM 531 CG LYS A 37 -20.304 13.135 -1.752 1.00 0.00 C ATOM 532 CD LYS A 37 -21.650 13.740 -2.191 1.00 0.00 C ATOM 533 CE LYS A 37 -22.587 13.906 -0.984 1.00 0.00 C ATOM 534 NZ LYS A 37 -22.323 15.209 -0.307 1.00 0.00 N ATOM 0 H LYS A 37 -22.547 10.464 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.792 11.266 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -21.369 11.471 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.625 11.313 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.931 13.666 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.566 13.268 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.483 14.707 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.118 13.097 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -23.626 13.861 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -22.438 13.086 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.961 15.312 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.336 15.236 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.487 15.988 -0.977 1.00 0.00 H new ATOM 548 N GLU A 38 -18.953 8.987 -3.065 1.00 0.00 N ATOM 549 CA GLU A 38 -18.390 7.665 -2.853 1.00 0.00 C ATOM 550 C GLU A 38 -17.427 7.650 -1.696 1.00 0.00 C ATOM 551 O GLU A 38 -16.780 8.658 -1.400 1.00 0.00 O ATOM 552 CB GLU A 38 -17.763 7.117 -4.123 1.00 0.00 C ATOM 553 CG GLU A 38 -18.853 6.513 -4.997 1.00 0.00 C ATOM 554 CD GLU A 38 -19.357 5.226 -4.368 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.573 4.309 -4.235 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.515 5.166 -4.035 1.00 0.00 O ATOM 0 H GLU A 38 -18.438 9.560 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.211 6.999 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.247 7.912 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.016 6.362 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.675 7.220 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.464 6.313 -5.995 1.00 0.00 H new ATOM 563 N ARG A 39 -17.344 6.526 -1.030 1.00 0.00 N ATOM 564 CA ARG A 39 -16.490 6.399 0.135 1.00 0.00 C ATOM 565 C ARG A 39 -15.275 5.533 -0.184 1.00 0.00 C ATOM 566 O ARG A 39 -15.411 4.457 -0.762 1.00 0.00 O ATOM 567 CB ARG A 39 -17.289 5.793 1.296 1.00 0.00 C ATOM 568 CG ARG A 39 -18.595 6.576 1.479 1.00 0.00 C ATOM 569 CD ARG A 39 -18.301 8.020 1.911 1.00 0.00 C ATOM 570 NE ARG A 39 -17.853 8.056 3.303 1.00 0.00 N ATOM 571 CZ ARG A 39 -17.372 9.165 3.868 1.00 0.00 C ATOM 572 NH1 ARG A 39 -17.238 10.256 3.165 1.00 0.00 N ATOM 573 NH2 ARG A 39 -17.034 9.155 5.118 1.00 0.00 N ATOM 0 H ARG A 39 -17.858 5.679 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.136 7.388 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.506 4.744 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.701 5.826 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.159 6.577 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.218 6.086 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.536 8.451 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -19.197 8.630 1.795 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.910 7.204 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -17.501 10.263 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.870 11.102 3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.136 8.301 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.666 10.001 5.554 1.00 0.00 H new ATOM 587 N LEU A 40 -14.098 5.991 0.203 1.00 0.00 N ATOM 588 CA LEU A 40 -12.886 5.222 -0.030 1.00 0.00 C ATOM 589 C LEU A 40 -12.749 4.142 1.024 1.00 0.00 C ATOM 590 O LEU A 40 -13.033 4.377 2.206 1.00 0.00 O ATOM 591 CB LEU A 40 -11.647 6.129 -0.001 1.00 0.00 C ATOM 592 CG LEU A 40 -11.573 6.944 -1.300 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.486 8.165 -1.202 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.131 7.405 -1.544 1.00 0.00 C ATOM 0 H LEU A 40 -13.954 6.883 0.676 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.958 4.763 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.694 6.799 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.746 5.527 0.114 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.898 6.316 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.428 8.738 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.514 7.839 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.169 8.790 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.085 7.983 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.801 8.026 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.480 6.535 -1.628 1.00 0.00 H new ATOM 606 N LYS A 41 -12.322 2.967 0.612 1.00 0.00 N ATOM 607 CA LYS A 41 -12.109 1.868 1.539 1.00 0.00 C ATOM 608 C LYS A 41 -10.740 1.287 1.348 1.00 0.00 C ATOM 609 O LYS A 41 -10.269 1.191 0.223 1.00 0.00 O ATOM 610 CB LYS A 41 -13.174 0.771 1.377 1.00 0.00 C ATOM 611 CG LYS A 41 -14.519 1.258 1.915 1.00 0.00 C ATOM 612 CD LYS A 41 -14.657 0.867 3.404 1.00 0.00 C ATOM 613 CE LYS A 41 -13.965 1.906 4.300 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.346 3.281 3.872 1.00 0.00 N ATOM 0 H LYS A 41 -12.114 2.745 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.195 2.268 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.271 0.501 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.865 -0.128 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.596 2.340 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.333 0.820 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.711 0.793 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.217 -0.116 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.249 1.748 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.883 1.785 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.138 3.953 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.804 3.543 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.363 3.308 3.655 1.00 0.00 H new ATOM 628 N ALA A 42 -10.147 0.831 2.436 1.00 0.00 N ATOM 629 CA ALA A 42 -8.868 0.148 2.395 1.00 0.00 C ATOM 630 C ALA A 42 -8.910 -1.040 3.344 1.00 0.00 C ATOM 631 O ALA A 42 -9.390 -0.910 4.478 1.00 0.00 O ATOM 632 CB ALA A 42 -7.727 1.097 2.779 1.00 0.00 C ATOM 0 H ALA A 42 -10.539 0.924 3.373 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.682 -0.200 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.779 0.560 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.699 1.934 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.891 1.473 3.789 1.00 0.00 H new ATOM 638 N TYR A 43 -8.524 -2.209 2.855 1.00 0.00 N ATOM 639 CA TYR A 43 -8.630 -3.434 3.644 1.00 0.00 C ATOM 640 C TYR A 43 -7.637 -4.505 3.200 1.00 0.00 C ATOM 641 O TYR A 43 -6.994 -4.392 2.151 1.00 0.00 O ATOM 642 CB TYR A 43 -10.065 -3.982 3.607 1.00 0.00 C ATOM 643 CG TYR A 43 -10.561 -4.025 2.180 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.205 -5.088 1.349 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.385 -3.003 1.696 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.668 -5.134 0.038 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.849 -3.044 0.379 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.492 -4.110 -0.452 1.00 0.00 C ATOM 649 OH TYR A 43 -11.960 -4.159 -1.752 1.00 0.00 O ATOM 0 H TYR A 43 -8.136 -2.338 1.921 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.377 -3.170 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.094 -4.981 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.720 -3.353 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.569 -5.876 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.662 -2.182 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.393 -5.959 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.482 -2.254 0.004 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.939 -4.126 -1.749 1.00 0.00 H new ATOM 659 N GLY A 44 -7.507 -5.541 4.022 1.00 0.00 N ATOM 660 CA GLY A 44 -6.613 -6.649 3.745 1.00 0.00 C ATOM 661 C GLY A 44 -6.792 -7.128 2.318 1.00 0.00 C ATOM 662 O GLY A 44 -7.913 -7.304 1.839 1.00 0.00 O ATOM 0 H GLY A 44 -8.021 -5.632 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.580 -6.340 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.812 -7.467 4.438 1.00 0.00 H new ATOM 666 N GLU A 45 -5.688 -7.237 1.640 1.00 0.00 N ATOM 667 CA GLU A 45 -5.627 -7.549 0.235 1.00 0.00 C ATOM 668 C GLU A 45 -6.372 -8.837 -0.133 1.00 0.00 C ATOM 669 O GLU A 45 -6.033 -9.928 0.340 1.00 0.00 O ATOM 670 CB GLU A 45 -4.172 -7.661 -0.143 1.00 0.00 C ATOM 671 CG GLU A 45 -3.914 -6.902 -1.422 1.00 0.00 C ATOM 672 CD GLU A 45 -4.374 -7.743 -2.585 1.00 0.00 C ATOM 673 OE1 GLU A 45 -5.555 -7.727 -2.865 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.555 -8.407 -3.160 1.00 0.00 O ATOM 0 H GLU A 45 -4.769 -7.107 2.062 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.125 -6.753 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.548 -7.265 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.900 -8.709 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.446 -5.950 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.853 -6.673 -1.518 1.00 0.00 H new ATOM 881 N PRO A 57 -5.038 -9.404 7.121 1.00 0.00 N ATOM 882 CA PRO A 57 -5.449 -7.980 7.108 1.00 0.00 C ATOM 883 C PRO A 57 -4.266 -7.038 7.142 1.00 0.00 C ATOM 884 O PRO A 57 -3.116 -7.462 7.084 1.00 0.00 O ATOM 885 CB PRO A 57 -6.288 -7.832 8.372 1.00 0.00 C ATOM 886 CG PRO A 57 -6.884 -9.184 8.599 1.00 0.00 C ATOM 887 CD PRO A 57 -5.890 -10.204 8.030 1.00 0.00 C ATOM 0 HA PRO A 57 -5.988 -7.725 6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.675 -7.523 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.062 -7.075 8.246 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.053 -9.359 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.852 -9.269 8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.302 -10.672 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.401 -11.005 7.496 1.00 0.00 H new ATOM 895 N ILE A 58 -4.559 -5.757 7.119 1.00 0.00 N ATOM 896 CA ILE A 58 -3.530 -4.747 7.093 1.00 0.00 C ATOM 897 C ILE A 58 -2.550 -4.949 8.254 1.00 0.00 C ATOM 898 O ILE A 58 -2.702 -4.356 9.341 1.00 0.00 O ATOM 899 CB ILE A 58 -4.174 -3.368 7.183 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.050 -3.114 5.955 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.097 -2.294 7.258 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.015 -1.976 6.252 1.00 0.00 C ATOM 0 H ILE A 58 -5.511 -5.390 7.118 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.974 -4.828 6.159 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.790 -3.331 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.428 -2.864 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.603 -4.017 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.566 -1.312 7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.479 -2.459 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.474 -2.341 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.641 -1.792 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.645 -2.245 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.451 -1.074 6.491 1.00 0.00 H new ATOM 914 N VAL A 59 -1.532 -5.729 7.988 1.00 0.00 N ATOM 915 CA VAL A 59 -0.446 -5.974 8.904 1.00 0.00 C ATOM 916 C VAL A 59 0.852 -5.877 8.130 1.00 0.00 C ATOM 917 O VAL A 59 0.839 -5.998 6.898 1.00 0.00 O ATOM 918 CB VAL A 59 -0.586 -7.372 9.544 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.842 -7.420 10.426 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.696 -8.446 8.449 1.00 0.00 C ATOM 0 H VAL A 59 -1.433 -6.225 7.102 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.460 -5.237 9.707 1.00 0.00 H new ATOM 0 HB VAL A 59 0.296 -7.566 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.934 -8.409 10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.762 -6.671 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.722 -7.214 9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.794 -9.428 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.571 -8.247 7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.199 -8.425 7.828 1.00 0.00 H new ATOM 930 N SER A 60 1.969 -5.718 8.820 1.00 0.00 N ATOM 931 CA SER A 60 3.246 -5.705 8.136 1.00 0.00 C ATOM 932 C SER A 60 4.125 -6.824 8.642 1.00 0.00 C ATOM 933 O SER A 60 4.103 -7.158 9.838 1.00 0.00 O ATOM 934 CB SER A 60 3.946 -4.332 8.230 1.00 0.00 C ATOM 935 OG SER A 60 4.187 -3.974 9.593 1.00 0.00 O ATOM 0 H SER A 60 2.017 -5.599 9.832 1.00 0.00 H new ATOM 0 HA SER A 60 3.058 -5.875 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.890 -4.363 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.328 -3.571 7.754 1.00 0.00 H new ATOM 0 HG SER A 60 5.041 -3.498 9.660 1.00 0.00 H new ATOM 941 N THR A 61 4.825 -7.457 7.733 1.00 0.00 N ATOM 942 CA THR A 61 5.642 -8.603 8.058 1.00 0.00 C ATOM 943 C THR A 61 6.878 -8.173 8.820 1.00 0.00 C ATOM 944 O THR A 61 7.221 -6.994 8.844 1.00 0.00 O ATOM 945 CB THR A 61 6.071 -9.289 6.762 1.00 0.00 C ATOM 946 OG1 THR A 61 6.867 -8.375 6.008 1.00 0.00 O ATOM 947 CG2 THR A 61 4.836 -9.676 5.942 1.00 0.00 C ATOM 0 H THR A 61 4.845 -7.194 6.748 1.00 0.00 H new ATOM 0 HA THR A 61 5.063 -9.287 8.679 1.00 0.00 H new ATOM 0 HB THR A 61 6.640 -10.189 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.791 -8.401 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.150 -10.164 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.214 -10.359 6.521 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.264 -8.780 5.701 1.00 0.00 H new ATOM 955 N LYS A 62 7.600 -9.138 9.338 1.00 0.00 N ATOM 956 CA LYS A 62 8.892 -8.880 9.933 1.00 0.00 C ATOM 957 C LYS A 62 9.897 -9.850 9.360 1.00 0.00 C ATOM 958 O LYS A 62 10.137 -10.921 9.936 1.00 0.00 O ATOM 959 CB LYS A 62 8.836 -9.024 11.454 1.00 0.00 C ATOM 960 CG LYS A 62 7.880 -7.981 12.052 1.00 0.00 C ATOM 961 CD LYS A 62 8.485 -6.577 11.921 1.00 0.00 C ATOM 962 CE LYS A 62 7.506 -5.544 12.472 1.00 0.00 C ATOM 963 NZ LYS A 62 6.684 -6.134 13.566 1.00 0.00 N ATOM 0 H LYS A 62 7.313 -10.116 9.360 1.00 0.00 H new ATOM 0 HA LYS A 62 9.188 -7.856 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.503 -10.027 11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.833 -8.897 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.919 -8.021 11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.691 -8.208 13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.429 -6.525 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.707 -6.362 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.054 -4.679 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.856 -5.188 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.213 -5.373 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.967 -6.767 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.298 -6.674 14.209 1.00 0.00 H new ATOM 977 N LYS A 63 10.476 -9.496 8.223 1.00 0.00 N ATOM 978 CA LYS A 63 11.471 -10.351 7.607 1.00 0.00 C ATOM 979 C LYS A 63 12.846 -9.751 7.802 1.00 0.00 C ATOM 980 O LYS A 63 13.131 -8.664 7.301 1.00 0.00 O ATOM 981 CB LYS A 63 11.176 -10.577 6.113 1.00 0.00 C ATOM 982 CG LYS A 63 9.776 -11.214 5.965 1.00 0.00 C ATOM 983 CD LYS A 63 9.690 -12.040 4.669 1.00 0.00 C ATOM 984 CE LYS A 63 9.472 -11.124 3.465 1.00 0.00 C ATOM 985 NZ LYS A 63 9.407 -11.928 2.223 1.00 0.00 N ATOM 0 H LYS A 63 10.276 -8.634 7.716 1.00 0.00 H new ATOM 0 HA LYS A 63 11.435 -11.327 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.217 -9.630 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.933 -11.227 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.569 -11.852 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.015 -10.434 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.607 -12.615 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.872 -12.757 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.549 -10.558 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.283 -10.399 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.259 -11.298 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.299 -12.449 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.618 -12.603 2.287 1.00 0.00 H new ATOM 999 N LEU A 64 13.657 -10.411 8.610 1.00 0.00 N ATOM 1000 CA LEU A 64 14.986 -9.909 8.948 1.00 0.00 C ATOM 1001 C LEU A 64 16.046 -10.804 8.341 1.00 0.00 C ATOM 1002 O LEU A 64 16.006 -12.033 8.508 1.00 0.00 O ATOM 1003 CB LEU A 64 15.146 -9.845 10.480 1.00 0.00 C ATOM 1004 CG LEU A 64 16.553 -9.353 10.860 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.781 -7.940 10.322 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.670 -9.323 12.385 1.00 0.00 C ATOM 0 H LEU A 64 13.421 -11.301 9.049 1.00 0.00 H new ATOM 0 HA LEU A 64 15.106 -8.905 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.395 -9.176 10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.972 -10.831 10.910 1.00 0.00 H new ATOM 0 HG LEU A 64 17.296 -10.026 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.780 -7.603 10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.686 -7.944 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.040 -7.264 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.664 -8.976 12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.920 -8.647 12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.510 -10.325 12.782 1.00 0.00 H new ATOM 1018 N ASP A 65 16.963 -10.202 7.602 1.00 0.00 N ATOM 1019 CA ASP A 65 18.008 -10.949 6.929 1.00 0.00 C ATOM 1020 C ASP A 65 19.379 -10.454 7.320 1.00 0.00 C ATOM 1021 O ASP A 65 19.524 -9.492 8.088 1.00 0.00 O ATOM 1022 CB ASP A 65 17.855 -10.855 5.392 1.00 0.00 C ATOM 1023 CG ASP A 65 17.573 -12.219 4.763 1.00 0.00 C ATOM 1024 OD1 ASP A 65 17.884 -13.218 5.372 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.060 -12.245 3.665 1.00 0.00 O ATOM 0 H ASP A 65 17.003 -9.194 7.454 1.00 0.00 H new ATOM 0 HA ASP A 65 17.906 -11.989 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.044 -10.169 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.765 -10.438 4.961 1.00 0.00 H new ATOM 1030 N LYS A 66 20.368 -11.075 6.714 1.00 0.00 N ATOM 1031 CA LYS A 66 21.779 -10.735 6.860 1.00 0.00 C ATOM 1032 C LYS A 66 21.975 -9.220 6.892 1.00 0.00 C ATOM 1033 O LYS A 66 22.909 -8.713 7.511 1.00 0.00 O ATOM 1034 CB LYS A 66 22.555 -11.319 5.656 1.00 0.00 C ATOM 1035 CG LYS A 66 21.877 -10.876 4.332 1.00 0.00 C ATOM 1036 CD LYS A 66 20.902 -11.954 3.814 1.00 0.00 C ATOM 1037 CE LYS A 66 20.104 -11.386 2.627 1.00 0.00 C ATOM 1038 NZ LYS A 66 19.087 -12.367 2.173 1.00 0.00 N ATOM 0 H LYS A 66 20.213 -11.860 6.082 1.00 0.00 H new ATOM 0 HA LYS A 66 22.148 -11.151 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.590 -10.978 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 66 22.577 -12.407 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.338 -9.942 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.640 -10.680 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.453 -12.842 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.224 -12.261 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.617 -10.456 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.780 -11.147 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.114 -12.440 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.291 -13.297 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.142 -12.052 2.474 1.00 0.00 H new ATOM 1052 N GLU A 67 21.061 -8.512 6.248 1.00 0.00 N ATOM 1053 CA GLU A 67 21.094 -7.063 6.171 1.00 0.00 C ATOM 1054 C GLU A 67 21.005 -6.459 7.569 1.00 0.00 C ATOM 1055 O GLU A 67 21.551 -5.383 7.833 1.00 0.00 O ATOM 1056 CB GLU A 67 19.928 -6.569 5.310 1.00 0.00 C ATOM 1057 CG GLU A 67 20.150 -7.003 3.845 1.00 0.00 C ATOM 1058 CD GLU A 67 18.968 -6.601 2.977 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.010 -6.082 3.502 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.032 -6.836 1.789 1.00 0.00 O ATOM 0 H GLU A 67 20.269 -8.932 5.760 1.00 0.00 H new ATOM 0 HA GLU A 67 22.034 -6.751 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.988 -6.977 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.851 -5.483 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.062 -6.546 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.290 -8.083 3.798 1.00 0.00 H new ATOM 1067 N GLY A 68 20.264 -7.120 8.442 1.00 0.00 N ATOM 1068 CA GLY A 68 20.086 -6.633 9.803 1.00 0.00 C ATOM 1069 C GLY A 68 18.979 -5.622 9.858 1.00 0.00 C ATOM 1070 O GLY A 68 18.764 -4.976 10.880 1.00 0.00 O ATOM 0 H GLY A 68 19.777 -7.992 8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.858 -7.467 10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.014 -6.185 10.160 1.00 0.00 H new ATOM 1074 N ARG A 69 18.239 -5.525 8.776 1.00 0.00 N ATOM 1075 CA ARG A 69 17.102 -4.638 8.713 1.00 0.00 C ATOM 1076 C ARG A 69 15.865 -5.487 8.563 1.00 0.00 C ATOM 1077 O ARG A 69 15.810 -6.359 7.692 1.00 0.00 O ATOM 1078 CB ARG A 69 17.239 -3.693 7.504 1.00 0.00 C ATOM 1079 CG ARG A 69 18.726 -3.404 7.239 1.00 0.00 C ATOM 1080 CD ARG A 69 19.367 -2.721 8.459 1.00 0.00 C ATOM 1081 NE ARG A 69 20.742 -3.194 8.630 1.00 0.00 N ATOM 1082 CZ ARG A 69 21.610 -2.569 9.419 1.00 0.00 C ATOM 1083 NH1 ARG A 69 21.269 -1.463 10.025 1.00 0.00 N ATOM 1084 NH2 ARG A 69 22.801 -3.056 9.574 1.00 0.00 N ATOM 0 H ARG A 69 18.408 -6.055 7.921 1.00 0.00 H new ATOM 0 HA ARG A 69 17.042 -4.031 9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.784 -4.145 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.706 -2.762 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.250 -4.334 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.828 -2.765 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.359 -1.639 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.785 -2.937 9.355 1.00 0.00 H new ATOM 0 HE ARG A 69 21.043 -4.029 8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.334 -1.077 9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.938 -0.986 10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.068 -3.914 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.472 -2.581 10.178 1.00 0.00 H new ATOM 1098 N THR A 70 14.910 -5.298 9.441 1.00 0.00 N ATOM 1099 CA THR A 70 13.701 -6.093 9.399 1.00 0.00 C ATOM 1100 C THR A 70 12.747 -5.522 8.354 1.00 0.00 C ATOM 1101 O THR A 70 12.463 -4.327 8.348 1.00 0.00 O ATOM 1102 CB THR A 70 13.061 -6.142 10.793 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.876 -6.932 11.658 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.660 -6.758 10.719 1.00 0.00 C ATOM 0 H THR A 70 14.943 -4.606 10.190 1.00 0.00 H new ATOM 0 HA THR A 70 13.939 -7.117 9.109 1.00 0.00 H new ATOM 0 HB THR A 70 12.980 -5.126 11.179 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.471 -6.964 12.550 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.221 -6.785 11.716 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.032 -6.156 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.729 -7.772 10.325 1.00 0.00 H new ATOM 1112 N HIS A 71 12.329 -6.366 7.424 1.00 0.00 N ATOM 1113 CA HIS A 71 11.500 -5.928 6.311 1.00 0.00 C ATOM 1114 C HIS A 71 10.039 -5.977 6.685 1.00 0.00 C ATOM 1115 O HIS A 71 9.515 -7.045 7.044 1.00 0.00 O ATOM 1116 CB HIS A 71 11.739 -6.811 5.083 1.00 0.00 C ATOM 1117 CG HIS A 71 11.547 -6.017 3.811 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.625 -5.560 3.068 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.420 -5.623 3.115 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.134 -4.933 1.984 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.797 -4.946 1.961 1.00 0.00 N ATOM 0 H HIS A 71 12.551 -7.362 7.418 1.00 0.00 H new ATOM 0 HA HIS A 71 11.774 -4.900 6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.749 -7.220 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.052 -7.657 5.097 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.611 -5.678 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.402 -5.812 3.421 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.747 -4.474 1.223 1.00 0.00 H new ATOM 1130 N HIS A 72 9.366 -4.862 6.485 1.00 0.00 N ATOM 1131 CA HIS A 72 7.943 -4.771 6.687 1.00 0.00 C ATOM 1132 C HIS A 72 7.262 -4.882 5.336 1.00 0.00 C ATOM 1133 O HIS A 72 7.241 -3.901 4.585 1.00 0.00 O ATOM 1134 CB HIS A 72 7.576 -3.381 7.261 1.00 0.00 C ATOM 1135 CG HIS A 72 7.811 -3.286 8.745 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.759 -3.274 9.660 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.955 -3.099 9.485 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.293 -3.067 10.879 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.625 -2.956 10.834 1.00 0.00 N ATOM 0 H HIS A 72 9.798 -3.991 6.176 1.00 0.00 H new ATOM 0 HA HIS A 72 7.630 -5.560 7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.164 -2.616 6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.528 -3.170 7.049 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.957 -3.068 9.083 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.713 -2.999 11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.262 -2.801 11.616 1.00 0.00 H new ATOM 1148 N TYR A 73 6.602 -5.997 5.075 1.00 0.00 N ATOM 1149 CA TYR A 73 5.795 -6.108 3.875 1.00 0.00 C ATOM 1150 C TYR A 73 4.373 -5.782 4.252 1.00 0.00 C ATOM 1151 O TYR A 73 3.755 -6.516 5.026 1.00 0.00 O ATOM 1152 CB TYR A 73 5.840 -7.540 3.312 1.00 0.00 C ATOM 1153 CG TYR A 73 7.148 -7.812 2.599 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.322 -8.057 3.326 1.00 0.00 C ATOM 1155 CD2 TYR A 73 7.179 -7.838 1.199 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.513 -8.327 2.651 1.00 0.00 C ATOM 1157 CE2 TYR A 73 8.373 -8.104 0.533 1.00 0.00 C ATOM 1158 CZ TYR A 73 9.536 -8.349 1.255 1.00 0.00 C ATOM 1159 OH TYR A 73 10.707 -8.622 0.591 1.00 0.00 O ATOM 0 H TYR A 73 6.608 -6.826 5.669 1.00 0.00 H new ATOM 0 HA TYR A 73 6.178 -5.427 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.710 -8.256 4.124 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.010 -7.687 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.304 -8.037 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.277 -7.652 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.418 -8.519 3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.396 -8.120 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 73 10.548 -8.599 -0.376 1.00 0.00 H new ATOM 1169 N MET A 74 3.872 -4.663 3.765 1.00 0.00 N ATOM 1170 CA MET A 74 2.525 -4.233 4.081 1.00 0.00 C ATOM 1171 C MET A 74 1.755 -4.026 2.801 1.00 0.00 C ATOM 1172 O MET A 74 2.159 -3.247 1.946 1.00 0.00 O ATOM 1173 CB MET A 74 2.562 -2.932 4.892 1.00 0.00 C ATOM 1174 CG MET A 74 1.144 -2.545 5.335 1.00 0.00 C ATOM 1175 SD MET A 74 1.232 -1.099 6.419 1.00 0.00 S ATOM 1176 CE MET A 74 1.820 0.079 5.177 1.00 0.00 C ATOM 0 H MET A 74 4.381 -4.033 3.146 1.00 0.00 H new ATOM 0 HA MET A 74 2.032 -4.999 4.679 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.203 -3.057 5.765 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.995 -2.132 4.291 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.526 -2.325 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.674 -3.378 5.858 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.430 1.071 5.404 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.910 0.106 5.188 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.475 -0.230 4.190 1.00 0.00 H new ATOM 1186 N ARG A 75 0.678 -4.744 2.648 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.105 -4.670 1.432 1.00 0.00 C ATOM 1188 C ARG A 75 -1.587 -4.720 1.748 1.00 0.00 C ATOM 1189 O ARG A 75 -2.032 -5.561 2.545 1.00 0.00 O ATOM 1190 CB ARG A 75 0.283 -5.826 0.500 1.00 0.00 C ATOM 1191 CG ARG A 75 0.370 -7.137 1.307 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.838 -8.016 0.987 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.984 -9.083 1.978 1.00 0.00 N ATOM 1194 CZ ARG A 75 -1.700 -8.923 3.110 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -2.173 -7.753 3.435 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -1.902 -9.933 3.899 1.00 0.00 N ATOM 0 H ARG A 75 0.316 -5.391 3.348 1.00 0.00 H new ATOM 0 HA ARG A 75 0.103 -3.723 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.454 -5.926 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.241 -5.616 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.292 -7.665 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.401 -6.918 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.741 -7.406 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.724 -8.450 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.528 -9.979 1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.003 -6.949 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.713 -7.642 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.519 -10.849 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.443 -9.811 4.755 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.358 -3.864 1.109 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.800 -3.833 1.314 1.00 0.00 C ATOM 1212 C PHE A 76 -4.550 -3.380 0.081 1.00 0.00 C ATOM 1213 O PHE A 76 -3.978 -2.763 -0.814 1.00 0.00 O ATOM 1214 CB PHE A 76 -4.184 -3.023 2.568 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.557 -1.635 2.560 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -2.293 -1.450 3.134 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.238 -0.540 2.006 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.708 -0.180 3.152 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.648 0.735 2.029 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.385 0.912 2.601 1.00 0.00 C ATOM 0 H PHE A 76 -2.013 -3.176 0.440 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.113 -4.861 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.269 -2.931 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.864 -3.561 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.769 -2.291 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.213 -0.677 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.731 -0.043 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.171 1.579 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.932 1.892 2.617 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.823 -3.720 0.028 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.663 -3.379 -1.102 1.00 0.00 C ATOM 1232 C HIS A 77 -7.489 -2.175 -0.756 1.00 0.00 C ATOM 1233 O HIS A 77 -7.929 -2.034 0.389 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.601 -4.545 -1.442 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.605 -4.766 -2.923 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -6.874 -5.777 -3.524 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -8.228 -4.093 -3.944 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -7.071 -5.684 -4.843 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -7.888 -4.675 -5.160 1.00 0.00 N ATOM 0 H HIS A 77 -6.302 -4.238 0.764 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.028 -3.169 -1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.275 -5.450 -0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.610 -4.327 -1.093 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -6.292 -6.466 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.882 -3.242 -3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.622 -6.347 -5.568 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.742 -1.321 -1.738 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.574 -0.164 -1.497 1.00 0.00 C ATOM 1250 C VAL A 78 -9.660 -0.057 -2.552 1.00 0.00 C ATOM 1251 O VAL A 78 -9.464 -0.443 -3.710 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.737 1.136 -1.448 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.434 0.883 -0.698 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.425 1.641 -2.866 1.00 0.00 C ATOM 0 H VAL A 78 -7.388 -1.409 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.045 -0.294 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.318 1.898 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.848 1.802 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.656 0.559 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.865 0.107 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.836 2.556 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.861 0.881 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.357 1.844 -3.393 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.747 0.571 -2.182 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.826 0.831 -3.105 1.00 0.00 C ATOM 1266 C GLU A 79 -11.949 2.314 -3.352 1.00 0.00 C ATOM 1267 O GLU A 79 -12.107 3.105 -2.410 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.130 0.259 -2.572 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.067 -1.278 -2.613 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.302 -1.899 -1.985 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.262 -1.182 -1.732 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.271 -3.086 -1.755 1.00 0.00 O ATOM 0 H GLU A 79 -10.910 0.916 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.606 0.341 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.299 0.600 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.968 0.616 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.975 -1.613 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.177 -1.622 -2.086 1.00 0.00 H new ATOM 1279 N SER A 80 -11.834 2.691 -4.603 1.00 0.00 N ATOM 1280 CA SER A 80 -11.913 4.069 -4.999 1.00 0.00 C ATOM 1281 C SER A 80 -13.345 4.462 -5.271 1.00 0.00 C ATOM 1282 O SER A 80 -14.269 3.663 -5.067 1.00 0.00 O ATOM 1283 CB SER A 80 -11.037 4.315 -6.220 1.00 0.00 C ATOM 1284 OG SER A 80 -11.771 4.023 -7.404 1.00 0.00 O ATOM 0 H SER A 80 -11.682 2.043 -5.376 1.00 0.00 H new ATOM 0 HA SER A 80 -11.545 4.691 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.701 5.352 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.144 3.691 -6.171 1.00 0.00 H new ATOM 0 HG SER A 80 -12.282 3.196 -7.277 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.539 5.681 -5.740 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.870 6.133 -6.036 1.00 0.00 C ATOM 1292 C LYS A 81 -15.414 5.315 -7.195 1.00 0.00 C ATOM 1293 O LYS A 81 -16.614 5.115 -7.311 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.858 7.594 -6.470 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.094 8.485 -5.475 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.693 8.407 -4.072 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.131 9.816 -3.629 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.988 9.965 -2.167 1.00 0.00 N ATOM 0 H LYS A 81 -12.800 6.360 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.483 6.021 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.400 7.676 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.883 7.952 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.048 8.180 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.114 9.518 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.546 7.729 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.960 8.004 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.528 10.568 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.167 9.989 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.852 10.969 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.846 9.613 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.165 9.418 -1.841 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.525 4.947 -8.115 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.942 4.268 -9.335 1.00 0.00 C ATOM 1314 C LYS A 82 -14.324 2.881 -9.442 1.00 0.00 C ATOM 1315 O LYS A 82 -14.929 1.967 -10.017 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.525 5.099 -10.561 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.060 6.540 -10.447 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.588 6.559 -10.466 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.065 8.007 -10.300 1.00 0.00 C ATOM 1320 NZ LYS A 82 -16.712 8.794 -11.516 1.00 0.00 N ATOM 0 H LYS A 82 -13.520 5.107 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.026 4.161 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.438 5.114 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.908 4.634 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.698 6.994 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.675 7.141 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.959 6.144 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.983 5.937 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.143 8.029 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.604 8.454 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.271 9.671 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.699 9.029 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.920 8.232 -12.366 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.069 2.763 -9.028 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.318 1.524 -9.216 1.00 0.00 C ATOM 1336 C LYS A 83 -11.792 0.976 -7.897 1.00 0.00 C ATOM 1337 O LYS A 83 -11.701 1.694 -6.904 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.155 1.739 -10.189 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.690 2.261 -11.534 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.599 1.213 -12.199 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.149 1.779 -13.521 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.038 0.781 -14.169 1.00 0.00 N ATOM 0 H LYS A 83 -12.549 3.506 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.007 0.791 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.444 2.451 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.617 0.803 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.246 3.185 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.857 2.499 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.039 0.297 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.421 0.953 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.700 2.700 -13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.325 2.032 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.405 1.170 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.500 -0.087 -14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.832 0.560 -13.535 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.427 -0.283 -7.911 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.879 -0.954 -6.749 1.00 0.00 C ATOM 1358 C ILE A 84 -9.378 -1.133 -6.979 1.00 0.00 C ATOM 1359 O ILE A 84 -8.962 -1.441 -8.102 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.584 -2.308 -6.600 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.097 -2.067 -6.513 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -11.116 -3.008 -5.318 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.838 -3.382 -6.713 1.00 0.00 C ATOM 0 H ILE A 84 -11.501 -0.879 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.033 -0.380 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.346 -2.937 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.352 -1.639 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.404 -1.346 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.623 -3.968 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.039 -3.169 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.353 -2.385 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.912 -3.207 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.593 -3.792 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.540 -4.089 -5.939 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.565 -0.757 -5.995 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.114 -0.720 -6.188 1.00 0.00 C ATOM 1377 C ALA A 85 -6.362 -1.498 -5.122 1.00 0.00 C ATOM 1378 O ALA A 85 -6.833 -1.662 -3.997 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.613 0.727 -6.223 1.00 0.00 C ATOM 0 H ALA A 85 -8.879 -0.476 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.915 -1.201 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.533 0.735 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.093 1.258 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.857 1.219 -5.282 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.152 -1.888 -5.468 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.250 -2.595 -4.569 1.00 0.00 C ATOM 1387 C LEU A 86 -3.137 -1.681 -4.099 1.00 0.00 C ATOM 1388 O LEU A 86 -2.484 -1.015 -4.910 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.679 -3.840 -5.281 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.385 -4.337 -4.610 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.662 -4.767 -3.185 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.833 -5.532 -5.396 1.00 0.00 C ATOM 0 H LEU A 86 -4.758 -1.722 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.806 -2.918 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.423 -4.637 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.479 -3.602 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.658 -3.525 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.738 -5.116 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.053 -3.921 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.395 -5.574 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.917 -5.886 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.571 -6.334 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.618 -5.226 -6.420 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.913 -1.657 -2.795 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.856 -0.843 -2.213 1.00 0.00 C ATOM 1406 C VAL A 87 -0.818 -1.746 -1.550 1.00 0.00 C ATOM 1407 O VAL A 87 -1.156 -2.620 -0.734 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.448 0.138 -1.182 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -1.325 0.832 -0.406 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.307 1.187 -1.897 1.00 0.00 C ATOM 0 H VAL A 87 -3.452 -2.195 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.373 -0.266 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.069 -0.420 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.756 1.522 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.727 0.084 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.691 1.384 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.723 1.878 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.691 1.739 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.119 0.691 -2.430 1.00 0.00 H new ATOM 1420 N HIS A 88 0.435 -1.542 -1.909 1.00 0.00 N ATOM 1421 CA HIS A 88 1.527 -2.340 -1.384 1.00 0.00 C ATOM 1422 C HIS A 88 2.629 -1.436 -0.860 1.00 0.00 C ATOM 1423 O HIS A 88 3.140 -0.585 -1.598 1.00 0.00 O ATOM 1424 CB HIS A 88 2.074 -3.232 -2.494 1.00 0.00 C ATOM 1425 CG HIS A 88 3.112 -4.174 -1.950 1.00 0.00 C ATOM 1426 ND1 HIS A 88 2.858 -5.517 -1.743 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.418 -3.979 -1.589 1.00 0.00 C ATOM 1428 CE1 HIS A 88 3.994 -6.074 -1.281 1.00 0.00 C ATOM 1429 NE2 HIS A 88 4.978 -5.181 -1.172 1.00 0.00 N ATOM 0 H HIS A 88 0.724 -0.821 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 88 1.162 -2.958 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.261 -3.800 -2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.510 -2.617 -3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.936 -3.032 -1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.096 -7.119 -1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 88 5.933 -5.344 -0.853 1.00 0.00 H new ATOM 1438 N LEU A 89 3.015 -1.640 0.392 1.00 0.00 N ATOM 1439 CA LEU A 89 4.089 -0.876 1.008 1.00 0.00 C ATOM 1440 C LEU A 89 5.150 -1.785 1.595 1.00 0.00 C ATOM 1441 O LEU A 89 4.846 -2.671 2.401 1.00 0.00 O ATOM 1442 CB LEU A 89 3.550 0.067 2.090 1.00 0.00 C ATOM 1443 CG LEU A 89 4.710 0.933 2.626 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.199 2.324 3.013 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.331 0.257 3.855 1.00 0.00 C ATOM 0 H LEU A 89 2.594 -2.337 1.006 1.00 0.00 H new ATOM 0 HA LEU A 89 4.547 -0.277 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.765 0.702 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.103 -0.507 2.901 1.00 0.00 H new ATOM 0 HG LEU A 89 5.463 1.036 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.027 2.924 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.767 2.810 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.438 2.230 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.150 0.870 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.573 0.146 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.712 -0.726 3.576 1.00 0.00 H new ATOM 1457 N GLU A 90 6.396 -1.492 1.275 1.00 0.00 N ATOM 1458 CA GLU A 90 7.524 -2.180 1.851 1.00 0.00 C ATOM 1459 C GLU A 90 8.437 -1.221 2.581 1.00 0.00 C ATOM 1460 O GLU A 90 8.975 -0.270 1.990 1.00 0.00 O ATOM 1461 CB GLU A 90 8.279 -2.961 0.785 1.00 0.00 C ATOM 1462 CG GLU A 90 7.486 -4.233 0.458 1.00 0.00 C ATOM 1463 CD GLU A 90 8.076 -4.968 -0.721 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.192 -4.672 -1.103 1.00 0.00 O ATOM 1465 OE2 GLU A 90 7.402 -5.831 -1.225 1.00 0.00 O ATOM 0 H GLU A 90 6.650 -0.766 0.605 1.00 0.00 H new ATOM 0 HA GLU A 90 7.147 -2.892 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.406 -2.353 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.277 -3.218 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.475 -4.889 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.450 -3.971 0.243 1.00 0.00 H new ATOM 1472 N ALA A 91 8.649 -1.499 3.847 1.00 0.00 N ATOM 1473 CA ALA A 91 9.529 -0.709 4.673 1.00 0.00 C ATOM 1474 C ALA A 91 10.500 -1.608 5.383 1.00 0.00 C ATOM 1475 O ALA A 91 10.163 -2.744 5.709 1.00 0.00 O ATOM 1476 CB ALA A 91 8.730 0.117 5.693 1.00 0.00 C ATOM 0 H ALA A 91 8.214 -2.283 4.333 1.00 0.00 H new ATOM 0 HA ALA A 91 10.078 -0.018 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.416 0.704 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.050 0.786 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.156 -0.552 6.334 1.00 0.00 H new ATOM 1482 N LYS A 92 11.675 -1.095 5.697 1.00 0.00 N ATOM 1483 CA LYS A 92 12.617 -1.881 6.470 1.00 0.00 C ATOM 1484 C LYS A 92 12.966 -1.222 7.762 1.00 0.00 C ATOM 1485 O LYS A 92 13.196 -0.003 7.830 1.00 0.00 O ATOM 1486 CB LYS A 92 13.882 -2.279 5.692 1.00 0.00 C ATOM 1487 CG LYS A 92 14.793 -1.061 5.415 1.00 0.00 C ATOM 1488 CD LYS A 92 16.088 -1.561 4.763 1.00 0.00 C ATOM 1489 CE LYS A 92 17.104 -0.426 4.648 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.620 0.600 3.697 1.00 0.00 N ATOM 0 H LYS A 92 11.994 -0.162 5.437 1.00 0.00 H new ATOM 0 HA LYS A 92 12.094 -2.811 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.437 -3.027 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.597 -2.742 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.288 -0.352 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.015 -0.535 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.509 -2.375 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.871 -1.964 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.269 0.024 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.063 -0.820 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.373 1.296 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.356 0.145 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.790 1.081 4.098 1.00 0.00 H new ATOM 1504 N GLU A 93 12.991 -2.018 8.791 1.00 0.00 N ATOM 1505 CA GLU A 93 13.312 -1.538 10.089 1.00 0.00 C ATOM 1506 C GLU A 93 14.775 -1.220 10.186 1.00 0.00 C ATOM 1507 O GLU A 93 15.613 -1.885 9.577 1.00 0.00 O ATOM 1508 CB GLU A 93 12.905 -2.535 11.165 1.00 0.00 C ATOM 1509 CG GLU A 93 12.216 -1.778 12.289 1.00 0.00 C ATOM 1510 CD GLU A 93 13.208 -0.783 12.909 1.00 0.00 C ATOM 1511 OE1 GLU A 93 14.059 -1.217 13.667 1.00 0.00 O ATOM 1512 OE2 GLU A 93 13.143 0.389 12.573 1.00 0.00 O ATOM 0 H GLU A 93 12.788 -3.017 8.747 1.00 0.00 H new ATOM 0 HA GLU A 93 12.746 -0.621 10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.235 -3.288 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.781 -3.061 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.343 -1.249 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.859 -2.475 13.048 1.00 0.00 H new ATOM 1519 N SER A 94 15.061 -0.226 10.971 1.00 0.00 N ATOM 1520 CA SER A 94 16.402 0.204 11.242 1.00 0.00 C ATOM 1521 C SER A 94 17.154 -0.915 11.943 1.00 0.00 C ATOM 1522 O SER A 94 17.955 -1.623 11.321 1.00 0.00 O ATOM 1523 CB SER A 94 16.338 1.454 12.118 1.00 0.00 C ATOM 1524 OG SER A 94 15.046 2.054 11.956 1.00 0.00 O ATOM 0 H SER A 94 14.351 0.324 11.454 1.00 0.00 H new ATOM 0 HA SER A 94 16.929 0.442 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.507 1.194 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.121 2.157 11.834 1.00 0.00 H new ATOM 0 HG SER A 94 14.400 1.602 12.538 1.00 0.00 H new ATOM 1604 N GLN A 99 9.474 2.558 13.836 1.00 0.00 N ATOM 1605 CA GLN A 99 9.076 2.945 12.481 1.00 0.00 C ATOM 1606 C GLN A 99 10.150 2.643 11.436 1.00 0.00 C ATOM 1607 O GLN A 99 11.207 3.291 11.396 1.00 0.00 O ATOM 1608 CB GLN A 99 8.660 4.421 12.430 1.00 0.00 C ATOM 1609 CG GLN A 99 7.367 4.616 13.244 1.00 0.00 C ATOM 1610 CD GLN A 99 6.199 3.873 12.587 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.402 4.479 11.877 1.00 0.00 O ATOM 1612 NE2 GLN A 99 6.057 2.590 12.764 1.00 0.00 N ATOM 0 HA GLN A 99 8.213 2.331 12.225 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.455 5.048 12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.503 4.731 11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.512 4.250 14.260 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.134 5.678 13.318 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.716 2.080 13.353 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.287 2.095 12.314 1.00 0.00 H new ATOM 1621 N PRO A 100 9.872 1.698 10.565 1.00 0.00 N ATOM 1622 CA PRO A 100 10.801 1.283 9.468 1.00 0.00 C ATOM 1623 C PRO A 100 10.891 2.308 8.337 1.00 0.00 C ATOM 1624 O PRO A 100 10.049 3.202 8.219 1.00 0.00 O ATOM 1625 CB PRO A 100 10.184 -0.021 8.966 1.00 0.00 C ATOM 1626 CG PRO A 100 8.720 0.157 9.194 1.00 0.00 C ATOM 1627 CD PRO A 100 8.585 0.974 10.474 1.00 0.00 C ATOM 0 HA PRO A 100 11.826 1.183 9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.406 -0.187 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.571 -0.881 9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.255 0.671 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.221 -0.807 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.741 1.662 10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.423 0.335 11.342 1.00 0.00 H new ATOM 1635 N ASP A 101 11.909 2.154 7.506 1.00 0.00 N ATOM 1636 CA ASP A 101 12.136 3.026 6.352 1.00 0.00 C ATOM 1637 C ASP A 101 11.299 2.541 5.186 1.00 0.00 C ATOM 1638 O ASP A 101 11.470 1.396 4.745 1.00 0.00 O ATOM 1639 CB ASP A 101 13.608 2.954 5.943 1.00 0.00 C ATOM 1640 CG ASP A 101 13.971 4.058 4.960 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.093 4.582 4.313 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.143 4.355 4.856 1.00 0.00 O ATOM 0 H ASP A 101 12.608 1.418 7.609 1.00 0.00 H new ATOM 0 HA ASP A 101 11.865 4.048 6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.237 3.034 6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.814 1.983 5.493 1.00 0.00 H new ATOM 1647 N PHE A 102 10.413 3.392 4.669 1.00 0.00 N ATOM 1648 CA PHE A 102 9.596 2.983 3.534 1.00 0.00 C ATOM 1649 C PHE A 102 10.492 2.795 2.325 1.00 0.00 C ATOM 1650 O PHE A 102 10.802 3.749 1.607 1.00 0.00 O ATOM 1651 CB PHE A 102 8.559 4.055 3.203 1.00 0.00 C ATOM 1652 CG PHE A 102 7.660 4.301 4.383 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.673 3.374 4.710 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.802 5.473 5.140 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.827 3.611 5.794 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.959 5.709 6.225 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.972 4.780 6.554 1.00 0.00 C ATOM 0 H PHE A 102 10.247 4.340 5.007 1.00 0.00 H new ATOM 0 HA PHE A 102 9.085 2.055 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.061 4.981 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.965 3.742 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.563 2.473 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.565 6.193 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.060 2.894 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.070 6.610 6.810 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.319 4.961 7.395 1.00 0.00 H new ATOM 1667 N ILE A 103 10.884 1.560 2.087 1.00 0.00 N ATOM 1668 CA ILE A 103 11.711 1.230 0.953 1.00 0.00 C ATOM 1669 C ILE A 103 10.920 1.436 -0.313 1.00 0.00 C ATOM 1670 O ILE A 103 11.409 1.996 -1.280 1.00 0.00 O ATOM 1671 CB ILE A 103 12.162 -0.233 1.045 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.083 -0.407 2.254 1.00 0.00 C ATOM 1673 CG2 ILE A 103 12.936 -0.624 -0.224 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.303 -1.888 2.484 1.00 0.00 C ATOM 0 H ILE A 103 10.638 0.763 2.674 1.00 0.00 H new ATOM 0 HA ILE A 103 12.591 1.873 0.946 1.00 0.00 H new ATOM 0 HB ILE A 103 11.282 -0.868 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.035 0.094 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.638 0.051 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.253 -1.664 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.292 -0.501 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.812 0.016 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.958 -2.029 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.345 -2.373 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.764 -2.329 1.600 1.00 0.00 H new ATOM 1686 N ASN A 104 9.692 0.955 -0.304 1.00 0.00 N ATOM 1687 CA ASN A 104 8.839 1.028 -1.476 1.00 0.00 C ATOM 1688 C ASN A 104 7.393 1.069 -1.057 1.00 0.00 C ATOM 1689 O ASN A 104 7.011 0.450 -0.060 1.00 0.00 O ATOM 1690 CB ASN A 104 9.070 -0.199 -2.367 1.00 0.00 C ATOM 1691 CG ASN A 104 8.444 0.009 -3.747 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.351 0.544 -3.868 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.080 -0.386 -4.796 1.00 0.00 N ATOM 0 H ASN A 104 9.261 0.508 0.505 1.00 0.00 H new ATOM 0 HA ASN A 104 9.083 1.934 -2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.139 -0.383 -2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.639 -1.083 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.671 -0.252 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.992 -0.833 -4.701 1.00 0.00 H new ATOM 1700 N MET A 105 6.581 1.676 -1.873 1.00 0.00 N ATOM 1701 CA MET A 105 5.151 1.668 -1.680 1.00 0.00 C ATOM 1702 C MET A 105 4.464 2.074 -2.965 1.00 0.00 C ATOM 1703 O MET A 105 4.835 3.089 -3.583 1.00 0.00 O ATOM 1704 CB MET A 105 4.734 2.531 -0.457 1.00 0.00 C ATOM 1705 CG MET A 105 3.966 3.783 -0.884 1.00 0.00 C ATOM 1706 SD MET A 105 2.304 3.327 -1.450 1.00 0.00 S ATOM 1707 CE MET A 105 1.581 3.016 0.180 1.00 0.00 C ATOM 0 H MET A 105 6.889 2.194 -2.696 1.00 0.00 H new ATOM 0 HA MET A 105 4.824 0.656 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.115 1.936 0.214 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.623 2.822 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.896 4.480 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.503 4.295 -1.682 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.503 2.890 0.082 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.015 2.110 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.789 3.860 0.838 1.00 0.00 H new ATOM 1717 N TYR A 106 3.532 1.255 -3.418 1.00 0.00 N ATOM 1718 CA TYR A 106 2.883 1.496 -4.693 1.00 0.00 C ATOM 1719 C TYR A 106 1.420 1.155 -4.657 1.00 0.00 C ATOM 1720 O TYR A 106 0.958 0.390 -3.796 1.00 0.00 O ATOM 1721 CB TYR A 106 3.587 0.734 -5.830 1.00 0.00 C ATOM 1722 CG TYR A 106 3.558 -0.765 -5.590 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.595 -1.383 -4.875 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.502 -1.538 -6.100 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.570 -2.765 -4.666 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.486 -2.923 -5.889 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.516 -3.535 -5.172 1.00 0.00 C ATOM 1728 OH TYR A 106 3.493 -4.900 -4.960 1.00 0.00 O ATOM 0 H TYR A 106 3.209 0.422 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 106 2.966 2.565 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.101 0.962 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.620 1.071 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.411 -0.792 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.704 -1.066 -6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.366 -3.240 -4.112 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.675 -3.519 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 106 2.692 -5.282 -5.376 1.00 0.00 H new ATOM 1738 N VAL A 107 0.697 1.717 -5.602 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.717 1.495 -5.722 1.00 0.00 C ATOM 1740 C VAL A 107 -1.008 0.901 -7.094 1.00 0.00 C ATOM 1741 O VAL A 107 -0.616 1.470 -8.127 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.436 2.845 -5.545 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.927 2.725 -5.867 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.251 3.340 -4.103 1.00 0.00 C ATOM 0 H VAL A 107 1.081 2.343 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.071 0.800 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.998 3.562 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.407 3.694 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.051 2.398 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.386 1.997 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.760 4.296 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.673 2.611 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.188 3.465 -3.895 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.674 -0.244 -7.103 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.004 -0.927 -8.341 1.00 0.00 C ATOM 1756 C ASP A 108 -3.466 -0.706 -8.685 1.00 0.00 C ATOM 1757 O ASP A 108 -4.363 -1.256 -8.017 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.715 -2.435 -8.230 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.664 -3.073 -9.611 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -1.342 -2.384 -10.557 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.944 -4.247 -9.708 1.00 0.00 O ATOM 0 H ASP A 108 -1.997 -0.720 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.381 -0.514 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.767 -2.592 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.487 -2.916 -7.630 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.716 0.098 -9.703 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.076 0.402 -10.131 1.00 0.00 C ATOM 1768 C VAL A 109 -5.344 -0.210 -11.503 1.00 0.00 C ATOM 1769 O VAL A 109 -4.592 0.032 -12.454 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.289 1.928 -10.188 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.782 2.246 -10.330 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.745 2.583 -8.908 1.00 0.00 C ATOM 0 H VAL A 109 -2.991 0.557 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.772 -0.025 -9.409 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.754 2.324 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.922 3.326 -10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.164 1.797 -11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.323 1.841 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.900 3.661 -8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.270 2.180 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.679 2.373 -8.817 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.375 -1.010 -11.627 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.709 -1.655 -12.935 1.00 0.00 C ATOM 1784 C PRO A 110 -7.096 -0.609 -13.984 1.00 0.00 C ATOM 1785 O PRO A 110 -7.720 0.411 -13.661 1.00 0.00 O ATOM 1786 CB PRO A 110 -7.904 -2.551 -12.591 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.563 -1.868 -11.438 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.435 -1.244 -10.621 1.00 0.00 C ATOM 0 HA PRO A 110 -5.870 -2.204 -13.364 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.584 -2.647 -13.437 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.582 -3.558 -12.325 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.263 -1.107 -11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.134 -2.577 -10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.749 -0.315 -10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.097 -1.911 -9.828 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.699 -0.843 -15.218 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.957 0.092 -16.308 1.00 0.00 C ATOM 1798 C GLY A 111 -5.989 1.265 -16.237 1.00 0.00 C ATOM 1799 O GLY A 111 -5.708 1.933 -17.248 1.00 0.00 O ATOM 0 H GLY A 111 -6.190 -1.681 -15.499 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.852 -0.417 -17.266 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.983 0.454 -16.250 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.443 1.501 -15.059 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.499 2.572 -14.890 1.00 0.00 C ATOM 1805 C GLU A 112 -3.076 2.094 -14.726 1.00 0.00 C ATOM 1806 O GLU A 112 -2.820 0.935 -14.418 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.890 3.545 -13.780 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.064 4.417 -14.240 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.667 5.283 -15.445 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.492 5.318 -15.801 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.536 5.909 -15.995 1.00 0.00 O ATOM 0 H GLU A 112 -5.640 0.965 -14.214 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.538 3.126 -15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.166 2.993 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.039 4.174 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.910 3.783 -14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.390 5.056 -13.420 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.161 3.000 -15.011 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.746 2.722 -14.973 1.00 0.00 C ATOM 1820 C LYS A 113 -0.279 2.603 -13.535 1.00 0.00 C ATOM 1821 O LYS A 113 -0.741 3.344 -12.660 1.00 0.00 O ATOM 1822 CB LYS A 113 0.008 3.845 -15.691 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.307 3.791 -17.201 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.683 4.430 -17.498 1.00 0.00 C ATOM 1825 CE LYS A 113 -2.690 3.326 -17.879 1.00 0.00 C ATOM 1826 NZ LYS A 113 -4.082 3.863 -17.837 1.00 0.00 N ATOM 0 H LYS A 113 -2.386 3.959 -15.278 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.545 1.777 -15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.283 4.813 -15.282 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.081 3.740 -15.528 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.470 4.315 -17.758 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.301 2.756 -17.542 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.039 4.976 -16.624 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.593 5.152 -18.310 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.468 2.949 -18.877 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.596 2.485 -17.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.740 3.102 -17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.138 4.629 -17.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.340 4.232 -18.774 1.00 0.00 H new ATOM 1840 N ARG A 114 0.607 1.653 -13.288 1.00 0.00 N ATOM 1841 CA ARG A 114 1.090 1.404 -11.936 1.00 0.00 C ATOM 1842 C ARG A 114 1.641 2.677 -11.306 1.00 0.00 C ATOM 1843 O ARG A 114 2.219 3.522 -11.996 1.00 0.00 O ATOM 1844 CB ARG A 114 2.132 0.265 -11.918 1.00 0.00 C ATOM 1845 CG ARG A 114 3.563 0.807 -12.096 1.00 0.00 C ATOM 1846 CD ARG A 114 3.794 1.233 -13.551 1.00 0.00 C ATOM 1847 NE ARG A 114 5.170 1.706 -13.724 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.636 2.120 -14.906 1.00 0.00 C ATOM 1849 NH1 ARG A 114 4.871 2.067 -15.964 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.858 2.557 -14.999 1.00 0.00 N ATOM 0 H ARG A 114 1.006 1.043 -14.001 1.00 0.00 H new ATOM 0 HA ARG A 114 0.242 1.081 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.062 -0.279 -10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.909 -0.446 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.723 1.656 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.287 0.042 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.603 0.393 -14.219 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.093 2.022 -13.823 1.00 0.00 H new ATOM 0 HE ARG A 114 5.792 1.720 -12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.919 1.710 -15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.226 2.383 -16.866 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.455 2.582 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.219 2.874 -15.899 1.00 0.00 H new ATOM 1864 N TYR A 115 1.406 2.842 -10.013 1.00 0.00 N ATOM 1865 CA TYR A 115 1.831 4.046 -9.318 1.00 0.00 C ATOM 1866 C TYR A 115 2.651 3.692 -8.095 1.00 0.00 C ATOM 1867 O TYR A 115 2.141 3.079 -7.154 1.00 0.00 O ATOM 1868 CB TYR A 115 0.594 4.842 -8.895 1.00 0.00 C ATOM 1869 CG TYR A 115 0.989 6.165 -8.284 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.235 7.264 -9.108 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.090 6.299 -6.896 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.573 8.495 -8.554 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.435 7.536 -6.341 1.00 0.00 C ATOM 1874 CZ TYR A 115 1.674 8.632 -7.173 1.00 0.00 C ATOM 1875 OH TYR A 115 1.985 9.856 -6.627 1.00 0.00 O ATOM 0 H TYR A 115 0.925 2.160 -9.426 1.00 0.00 H new ATOM 0 HA TYR A 115 2.449 4.645 -9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.047 5.013 -9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.013 4.264 -8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.163 7.159 -10.180 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.902 5.451 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.757 9.344 -9.196 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.516 7.643 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 115 1.171 10.397 -6.552 1.00 0.00 H new ATOM 1885 N TYR A 116 3.888 4.154 -8.071 1.00 0.00 N ATOM 1886 CA TYR A 116 4.752 3.958 -6.921 1.00 0.00 C ATOM 1887 C TYR A 116 4.822 5.227 -6.104 1.00 0.00 C ATOM 1888 O TYR A 116 5.546 6.165 -6.452 1.00 0.00 O ATOM 1889 CB TYR A 116 6.158 3.505 -7.360 1.00 0.00 C ATOM 1890 CG TYR A 116 6.116 2.028 -7.694 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.467 1.585 -8.851 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.718 1.099 -6.835 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.419 0.221 -9.146 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.668 -0.268 -7.133 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.015 -0.705 -8.292 1.00 0.00 C ATOM 1896 OH TYR A 116 5.961 -2.051 -8.596 1.00 0.00 O ATOM 0 H TYR A 116 4.318 4.670 -8.839 1.00 0.00 H new ATOM 0 HA TYR A 116 4.330 3.168 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.485 4.078 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.879 3.691 -6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.003 2.298 -9.516 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.221 1.438 -5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.918 -0.118 -10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.132 -0.984 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 116 6.425 -2.562 -7.900 1.00 0.00 H new ATOM 1906 N LEU A 117 4.057 5.252 -5.022 1.00 0.00 N ATOM 1907 CA LEU A 117 4.009 6.395 -4.123 1.00 0.00 C ATOM 1908 C LEU A 117 5.362 6.626 -3.479 1.00 0.00 C ATOM 1909 O LEU A 117 5.822 7.765 -3.367 1.00 0.00 O ATOM 1910 CB LEU A 117 2.924 6.202 -3.057 1.00 0.00 C ATOM 1911 CG LEU A 117 2.920 7.383 -2.074 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.641 8.697 -2.806 1.00 0.00 C ATOM 1913 CD2 LEU A 117 1.861 7.153 -0.997 1.00 0.00 C ATOM 0 H LEU A 117 3.452 4.480 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 117 3.755 7.279 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.948 6.115 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.098 5.272 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 117 3.903 7.451 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.643 9.519 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.413 8.867 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.668 8.642 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.861 7.992 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.880 7.068 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.086 6.234 -0.456 1.00 0.00 H new ATOM 1925 N ILE A 118 6.014 5.548 -3.085 1.00 0.00 N ATOM 1926 CA ILE A 118 7.322 5.657 -2.475 1.00 0.00 C ATOM 1927 C ILE A 118 8.328 4.927 -3.332 1.00 0.00 C ATOM 1928 O ILE A 118 8.138 3.760 -3.694 1.00 0.00 O ATOM 1929 CB ILE A 118 7.298 5.102 -1.038 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.360 5.965 -0.181 1.00 0.00 C ATOM 1931 CG2 ILE A 118 8.706 5.135 -0.430 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.182 5.333 1.201 1.00 0.00 C ATOM 0 H ILE A 118 5.661 4.595 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 118 7.611 6.706 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 118 6.945 4.071 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.769 6.970 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.392 6.062 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.673 4.740 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.378 4.526 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.069 6.163 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.515 5.952 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.753 4.337 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.151 5.259 1.695 1.00 0.00 H new ATOM 1944 N LYS A 119 9.306 5.679 -3.788 1.00 0.00 N ATOM 1945 CA LYS A 119 10.263 5.205 -4.764 1.00 0.00 C ATOM 1946 C LYS A 119 11.446 4.525 -4.092 1.00 0.00 C ATOM 1947 O LYS A 119 12.226 5.171 -3.382 1.00 0.00 O ATOM 1948 CB LYS A 119 10.755 6.361 -5.667 1.00 0.00 C ATOM 1949 CG LYS A 119 9.824 7.595 -5.558 1.00 0.00 C ATOM 1950 CD LYS A 119 8.403 7.239 -6.028 1.00 0.00 C ATOM 1951 CE LYS A 119 7.510 8.495 -5.978 1.00 0.00 C ATOM 1952 NZ LYS A 119 7.449 9.024 -4.589 1.00 0.00 N ATOM 0 H LYS A 119 9.461 6.642 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 119 9.754 4.470 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.769 6.641 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.796 6.024 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.795 7.947 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.220 8.411 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.434 6.843 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.985 6.458 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.904 9.258 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.507 8.251 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.818 9.850 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.084 8.287 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.402 9.305 -4.283 1.00 0.00 H new ATOM 1966 N PRO A 120 11.619 3.257 -4.328 1.00 0.00 N ATOM 1967 CA PRO A 120 12.779 2.511 -3.762 1.00 0.00 C ATOM 1968 C PRO A 120 14.087 3.042 -4.310 1.00 0.00 C ATOM 1969 O PRO A 120 14.159 3.479 -5.461 1.00 0.00 O ATOM 1970 CB PRO A 120 12.531 1.068 -4.210 1.00 0.00 C ATOM 1971 CG PRO A 120 11.719 1.202 -5.455 1.00 0.00 C ATOM 1972 CD PRO A 120 10.812 2.406 -5.231 1.00 0.00 C ATOM 0 HA PRO A 120 12.859 2.607 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.468 0.544 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.998 0.501 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.359 1.351 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.134 0.301 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.577 2.916 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.863 2.120 -4.777 1.00 0.00 H new ATOM 1980 N LYS A 121 15.111 3.013 -3.484 1.00 0.00 N ATOM 1981 CA LYS A 121 16.422 3.505 -3.869 1.00 0.00 C ATOM 1982 C LYS A 121 17.043 2.636 -4.963 1.00 0.00 C ATOM 1983 O LYS A 121 18.218 2.266 -4.891 1.00 0.00 O ATOM 1984 CB LYS A 121 17.346 3.604 -2.643 1.00 0.00 C ATOM 1985 CG LYS A 121 17.136 2.389 -1.714 1.00 0.00 C ATOM 1986 CD LYS A 121 16.323 2.795 -0.461 1.00 0.00 C ATOM 1987 CE LYS A 121 17.113 3.796 0.418 1.00 0.00 C ATOM 1988 NZ LYS A 121 18.574 3.655 0.191 1.00 0.00 N ATOM 0 H LYS A 121 15.062 2.651 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 121 16.298 4.507 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.386 3.648 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.142 4.526 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.613 1.599 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 121 18.102 1.984 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.378 3.243 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.081 1.907 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.801 4.815 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.885 3.623 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 19.092 4.180 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.837 2.650 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.818 4.036 -0.745 1.00 0.00 H new