USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 742 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 HIS :FLIP no HE2:sc= 0.0312 F(o=-0.5,f=0.36) USER MOD Set 2.2: A 48 CYS SG : rot -3:sc= 0.327 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= 0.201 F(o=-5.6!,f=0.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.146 F(o=-5.8!,f=0.15) USER MOD Single : A 22 THR OG1 : rot -20:sc= -0.898 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0195 (180deg=-0.196) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -2.87! USER MOD Single : A 47 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot -14:sc= 0.00751 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= -0.426 (180deg=-1.78) USER MOD Single : A 62 CYS SG : rot 170:sc= -3.26! USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0823 F(o=-1!,f=-0.082) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.619 F(o=-3.6!,f=-0.62) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -134:sc= -0.0648 (180deg=-0.292) USER MOD Single : A 80 SER OG : rot 130:sc= -0.288 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -95:sc= 1.29 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0254 (180deg=-0.259) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -0.0296 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -24.069 7.659 -2.196 1.00 0.00 N ATOM 2 CA HIS A 3 -23.824 7.232 -3.598 1.00 0.00 C ATOM 3 C HIS A 3 -22.669 6.235 -3.673 1.00 0.00 C ATOM 4 O HIS A 3 -22.548 5.352 -2.823 1.00 0.00 O ATOM 5 CB HIS A 3 -23.516 8.478 -4.433 1.00 0.00 C ATOM 6 CG HIS A 3 -24.596 9.513 -4.385 1.00 0.00 C ATOM 7 ND1 HIS A 3 -25.893 9.267 -4.781 1.00 0.00 N ATOM 8 CD2 HIS A 3 -24.566 10.806 -3.984 1.00 0.00 C ATOM 9 CE1 HIS A 3 -26.615 10.363 -4.625 1.00 0.00 C ATOM 10 NE2 HIS A 3 -25.833 11.311 -4.143 1.00 0.00 N ATOM 0 HA HIS A 3 -24.710 6.731 -3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.584 8.920 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -23.355 8.180 -5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -23.706 11.341 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.666 10.466 -4.853 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -26.123 12.264 -3.924 1.00 0.00 H new ATOM 21 N MET A 4 -21.820 6.377 -4.690 1.00 0.00 N ATOM 22 CA MET A 4 -20.680 5.485 -4.863 1.00 0.00 C ATOM 23 C MET A 4 -19.725 5.595 -3.678 1.00 0.00 C ATOM 24 O MET A 4 -19.402 6.695 -3.230 1.00 0.00 O ATOM 25 CB MET A 4 -19.941 5.812 -6.163 1.00 0.00 C ATOM 26 CG MET A 4 -18.777 4.879 -6.453 1.00 0.00 C ATOM 27 SD MET A 4 -17.930 5.281 -7.993 1.00 0.00 S ATOM 28 CE MET A 4 -16.674 4.006 -8.033 1.00 0.00 C ATOM 0 H MET A 4 -21.902 7.101 -5.404 1.00 0.00 H new ATOM 0 HA MET A 4 -21.052 4.462 -4.915 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.646 5.768 -6.993 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.571 6.836 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.065 4.926 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.142 3.853 -6.501 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.067 4.122 -8.931 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.039 4.093 -7.151 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.151 3.026 -8.041 1.00 0.00 H new ATOM 38 N ARG A 5 -19.279 4.448 -3.173 1.00 0.00 N ATOM 39 CA ARG A 5 -18.362 4.415 -2.039 1.00 0.00 C ATOM 40 C ARG A 5 -17.065 5.150 -2.363 1.00 0.00 C ATOM 41 O ARG A 5 -16.491 4.972 -3.437 1.00 0.00 O ATOM 42 CB ARG A 5 -18.059 2.967 -1.646 1.00 0.00 C ATOM 43 CG ARG A 5 -19.292 2.166 -1.255 1.00 0.00 C ATOM 44 CD ARG A 5 -19.958 2.730 -0.008 1.00 0.00 C ATOM 45 NE ARG A 5 -21.141 1.963 0.374 1.00 0.00 N ATOM 46 CZ ARG A 5 -21.881 2.232 1.445 1.00 0.00 C ATOM 47 NH1 ARG A 5 -21.560 3.243 2.241 1.00 0.00 N ATOM 48 NH2 ARG A 5 -22.944 1.487 1.722 1.00 0.00 N ATOM 0 H ARG A 5 -19.538 3.529 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.842 4.920 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -17.564 2.470 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.357 2.966 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -20.004 2.168 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -19.011 1.128 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -19.244 2.730 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -20.240 3.768 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 5 -21.415 1.176 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -20.743 3.817 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.130 3.447 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.193 0.708 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -23.512 1.694 2.544 1.00 0.00 H new ATOM 62 N GLN A 6 -16.610 5.978 -1.425 1.00 0.00 N ATOM 63 CA GLN A 6 -15.381 6.742 -1.608 1.00 0.00 C ATOM 64 C GLN A 6 -14.168 5.816 -1.699 1.00 0.00 C ATOM 65 O GLN A 6 -14.044 4.868 -0.924 1.00 0.00 O ATOM 66 CB GLN A 6 -15.184 7.742 -0.464 1.00 0.00 C ATOM 67 CG GLN A 6 -16.253 8.825 -0.399 1.00 0.00 C ATOM 68 CD GLN A 6 -17.555 8.354 0.229 1.00 0.00 C ATOM 69 OE1 GLN A 6 -17.524 7.199 0.885 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -18.575 9.039 0.149 1.00 0.00 N flip ATOM 0 H GLN A 6 -17.075 6.136 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.473 7.292 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.172 7.200 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.208 8.215 -0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.868 9.670 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.455 9.186 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.558 9.920 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.437 8.725 0.596 1.00 0.00 H new ATOM 79 N PRO A 7 -13.251 6.082 -2.648 1.00 0.00 N ATOM 80 CA PRO A 7 -12.044 5.269 -2.831 1.00 0.00 C ATOM 81 C PRO A 7 -11.138 5.297 -1.600 1.00 0.00 C ATOM 82 O PRO A 7 -11.028 6.320 -0.926 1.00 0.00 O ATOM 83 CB PRO A 7 -11.339 5.920 -4.027 1.00 0.00 C ATOM 84 CG PRO A 7 -11.897 7.298 -4.104 1.00 0.00 C ATOM 85 CD PRO A 7 -13.313 7.194 -3.614 1.00 0.00 C ATOM 0 HA PRO A 7 -12.286 4.218 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.259 5.940 -3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.529 5.366 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.320 7.988 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.863 7.677 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.646 8.119 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.007 6.983 -4.428 1.00 0.00 H new ATOM 93 N PRO A 8 -10.477 4.165 -1.291 1.00 0.00 N ATOM 94 CA PRO A 8 -9.580 4.066 -0.134 1.00 0.00 C ATOM 95 C PRO A 8 -8.543 5.184 -0.112 1.00 0.00 C ATOM 96 O PRO A 8 -7.913 5.479 -1.126 1.00 0.00 O ATOM 97 CB PRO A 8 -8.895 2.711 -0.324 1.00 0.00 C ATOM 98 CG PRO A 8 -9.844 1.914 -1.152 1.00 0.00 C ATOM 99 CD PRO A 8 -10.550 2.898 -2.044 1.00 0.00 C ATOM 0 HA PRO A 8 -10.121 4.155 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.932 2.822 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.704 2.227 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.313 1.166 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.555 1.379 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.062 2.980 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.582 2.601 -2.230 1.00 0.00 H new ATOM 107 N LEU A 9 -8.370 5.803 1.053 1.00 0.00 N ATOM 108 CA LEU A 9 -7.411 6.889 1.206 1.00 0.00 C ATOM 109 C LEU A 9 -6.417 6.563 2.318 1.00 0.00 C ATOM 110 O LEU A 9 -6.799 6.405 3.476 1.00 0.00 O ATOM 111 CB LEU A 9 -8.149 8.196 1.520 1.00 0.00 C ATOM 112 CG LEU A 9 -7.392 9.489 1.192 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.271 10.697 1.480 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.094 9.586 1.980 1.00 0.00 C ATOM 0 H LEU A 9 -8.882 5.570 1.904 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.861 7.009 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.090 8.200 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.399 8.203 2.581 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.141 9.472 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.724 11.610 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.172 10.645 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.548 10.703 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.582 10.514 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.315 9.575 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.454 8.739 1.733 1.00 0.00 H new ATOM 126 N VAL A 10 -5.143 6.465 1.957 1.00 0.00 N ATOM 127 CA VAL A 10 -4.094 6.158 2.921 1.00 0.00 C ATOM 128 C VAL A 10 -3.666 7.405 3.690 1.00 0.00 C ATOM 129 O VAL A 10 -3.426 8.459 3.100 1.00 0.00 O ATOM 130 CB VAL A 10 -2.868 5.537 2.226 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.775 5.218 3.234 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.274 4.287 1.459 1.00 0.00 C ATOM 0 H VAL A 10 -4.811 6.594 1.001 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.507 5.436 3.625 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.469 6.265 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.920 4.781 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.465 6.134 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.155 4.510 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.398 3.858 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.699 3.558 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.016 4.548 0.705 1.00 0.00 H new ATOM 142 N THR A 11 -3.573 7.276 5.012 1.00 0.00 N ATOM 143 CA THR A 11 -3.177 8.387 5.872 1.00 0.00 C ATOM 144 C THR A 11 -2.389 7.890 7.081 1.00 0.00 C ATOM 145 O THR A 11 -2.636 8.315 8.211 1.00 0.00 O ATOM 146 CB THR A 11 -4.404 9.175 6.378 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.289 8.300 7.086 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.151 9.832 5.226 1.00 0.00 C ATOM 0 H THR A 11 -3.768 6.408 5.512 1.00 0.00 H new ATOM 0 HA THR A 11 -2.551 9.043 5.268 1.00 0.00 H new ATOM 0 HB THR A 11 -4.048 9.958 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.064 8.807 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.010 10.379 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.485 10.522 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.493 9.066 4.530 1.00 0.00 H new ATOM 156 N GLY A 12 -1.440 6.988 6.842 1.00 0.00 N ATOM 157 CA GLY A 12 -0.642 6.456 7.933 1.00 0.00 C ATOM 158 C GLY A 12 0.357 5.406 7.486 1.00 0.00 C ATOM 159 O GLY A 12 0.099 4.649 6.549 1.00 0.00 O ATOM 0 H GLY A 12 -1.211 6.618 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.108 7.274 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.305 6.022 8.681 1.00 0.00 H new ATOM 163 N ILE A 13 1.498 5.357 8.167 1.00 0.00 N ATOM 164 CA ILE A 13 2.545 4.391 7.855 1.00 0.00 C ATOM 165 C ILE A 13 3.498 4.236 9.036 1.00 0.00 C ATOM 166 O ILE A 13 3.981 5.225 9.589 1.00 0.00 O ATOM 167 CB ILE A 13 3.350 4.809 6.602 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.382 3.734 6.248 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.034 6.152 6.830 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.121 4.006 4.953 1.00 0.00 C ATOM 0 H ILE A 13 1.721 5.980 8.943 1.00 0.00 H new ATOM 0 HA ILE A 13 2.055 3.439 7.651 1.00 0.00 H new ATOM 0 HB ILE A 13 2.659 4.913 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.105 3.655 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.879 2.770 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.596 6.430 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.282 6.913 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.715 6.074 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.835 3.204 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.408 4.055 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.653 4.954 5.030 1.00 0.00 H new ATOM 182 N SER A 14 3.765 2.993 9.428 1.00 0.00 N ATOM 183 CA SER A 14 4.660 2.737 10.549 1.00 0.00 C ATOM 184 C SER A 14 6.099 3.111 10.188 1.00 0.00 C ATOM 185 O SER A 14 6.704 3.950 10.856 1.00 0.00 O ATOM 186 CB SER A 14 4.573 1.273 10.993 1.00 0.00 C ATOM 187 OG SER A 14 5.436 1.020 12.089 1.00 0.00 O ATOM 0 H SER A 14 3.378 2.157 8.991 1.00 0.00 H new ATOM 0 HA SER A 14 4.345 3.362 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.547 1.035 11.272 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.837 0.621 10.160 1.00 0.00 H new ATOM 0 HG SER A 14 5.361 0.080 12.354 1.00 0.00 H new ATOM 193 N PRO A 15 6.678 2.508 9.125 1.00 0.00 N ATOM 194 CA PRO A 15 8.037 2.808 8.708 1.00 0.00 C ATOM 195 C PRO A 15 8.096 3.899 7.643 1.00 0.00 C ATOM 196 O PRO A 15 7.620 3.709 6.526 1.00 0.00 O ATOM 197 CB PRO A 15 8.493 1.472 8.132 1.00 0.00 C ATOM 198 CG PRO A 15 7.260 0.882 7.525 1.00 0.00 C ATOM 199 CD PRO A 15 6.072 1.489 8.245 1.00 0.00 C ATOM 0 HA PRO A 15 8.654 3.188 9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.276 1.609 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.902 0.825 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.215 1.099 6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.261 -0.203 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.365 1.934 7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.525 0.740 8.818 1.00 0.00 H new ATOM 207 N ASN A 16 8.693 5.036 7.985 1.00 0.00 N ATOM 208 CA ASN A 16 8.820 6.143 7.041 1.00 0.00 C ATOM 209 C ASN A 16 10.192 6.124 6.372 1.00 0.00 C ATOM 210 O ASN A 16 10.707 7.161 5.955 1.00 0.00 O ATOM 211 CB ASN A 16 8.587 7.486 7.740 1.00 0.00 C ATOM 212 CG ASN A 16 9.493 7.708 8.941 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.349 6.737 9.242 1.00 0.00 O flip ATOM 214 ND2 ASN A 16 9.425 8.750 9.593 1.00 0.00 N flip ATOM 0 H ASN A 16 9.095 5.216 8.905 1.00 0.00 H new ATOM 0 HA ASN A 16 8.057 6.020 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.743 8.292 7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.548 7.543 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.755 9.473 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.039 8.891 10.395 1.00 0.00 H new ATOM 221 N GLU A 17 10.766 4.929 6.270 1.00 0.00 N ATOM 222 CA GLU A 17 12.075 4.740 5.649 1.00 0.00 C ATOM 223 C GLU A 17 12.461 3.264 5.674 1.00 0.00 C ATOM 224 O GLU A 17 12.367 2.607 6.712 1.00 0.00 O ATOM 225 CB GLU A 17 13.138 5.573 6.371 1.00 0.00 C ATOM 226 CG GLU A 17 13.276 5.242 7.849 1.00 0.00 C ATOM 227 CD GLU A 17 14.335 6.080 8.540 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.969 6.915 7.861 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.532 5.900 9.759 1.00 0.00 O ATOM 0 H GLU A 17 10.340 4.068 6.613 1.00 0.00 H new ATOM 0 HA GLU A 17 12.017 5.074 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.100 5.420 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.892 6.630 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.317 5.397 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.525 4.186 7.959 1.00 0.00 H new ATOM 236 N GLY A 18 12.888 2.742 4.528 1.00 0.00 N ATOM 237 CA GLY A 18 13.271 1.344 4.455 1.00 0.00 C ATOM 238 C GLY A 18 13.542 0.881 3.035 1.00 0.00 C ATOM 239 O GLY A 18 12.898 1.338 2.091 1.00 0.00 O ATOM 0 H GLY A 18 12.975 3.259 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.163 1.184 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.479 0.732 4.887 1.00 0.00 H new ATOM 243 N ILE A 19 14.498 -0.034 2.892 1.00 0.00 N ATOM 244 CA ILE A 19 14.864 -0.575 1.586 1.00 0.00 C ATOM 245 C ILE A 19 13.640 -1.138 0.854 1.00 0.00 C ATOM 246 O ILE A 19 12.601 -1.372 1.466 1.00 0.00 O ATOM 247 CB ILE A 19 15.936 -1.677 1.718 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.449 -2.787 2.654 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.245 -1.081 2.219 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.431 -3.932 2.806 1.00 0.00 C ATOM 0 H ILE A 19 15.036 -0.418 3.669 1.00 0.00 H new ATOM 0 HA ILE A 19 15.275 0.249 1.003 1.00 0.00 H new ATOM 0 HB ILE A 19 16.112 -2.115 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.248 -2.359 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.504 -3.178 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.993 -1.869 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.595 -0.327 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.086 -0.621 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.017 -4.679 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.614 -4.387 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.370 -3.555 3.212 1.00 0.00 H new ATOM 262 N PRO A 20 13.743 -1.343 -0.474 1.00 0.00 N ATOM 263 CA PRO A 20 12.634 -1.863 -1.289 1.00 0.00 C ATOM 264 C PRO A 20 11.960 -3.099 -0.691 1.00 0.00 C ATOM 265 O PRO A 20 10.746 -3.258 -0.790 1.00 0.00 O ATOM 266 CB PRO A 20 13.313 -2.220 -2.610 1.00 0.00 C ATOM 267 CG PRO A 20 14.458 -1.276 -2.707 1.00 0.00 C ATOM 268 CD PRO A 20 14.940 -1.067 -1.297 1.00 0.00 C ATOM 0 HA PRO A 20 11.830 -1.132 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.651 -3.256 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.630 -2.104 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.250 -1.686 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.150 -0.333 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.760 -1.741 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.305 -0.051 -1.145 1.00 0.00 H new ATOM 276 N TRP A 21 12.749 -3.983 -0.090 1.00 0.00 N ATOM 277 CA TRP A 21 12.207 -5.207 0.500 1.00 0.00 C ATOM 278 C TRP A 21 11.537 -4.954 1.850 1.00 0.00 C ATOM 279 O TRP A 21 10.793 -5.801 2.344 1.00 0.00 O ATOM 280 CB TRP A 21 13.299 -6.265 0.645 1.00 0.00 C ATOM 281 CG TRP A 21 13.774 -6.800 -0.669 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.819 -6.338 -1.417 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.198 -7.883 -1.407 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.939 -7.082 -2.566 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.954 -8.035 -2.584 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.120 -8.744 -1.182 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.664 -9.013 -3.533 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.832 -9.713 -2.125 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.602 -9.841 -3.288 1.00 0.00 C ATOM 0 H TRP A 21 13.759 -3.879 0.003 1.00 0.00 H new ATOM 0 HA TRP A 21 11.440 -5.574 -0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.144 -5.835 1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.921 -7.088 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.457 -5.510 -1.146 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.646 -6.947 -3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.522 -8.654 -0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.256 -9.114 -4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.000 -10.382 -1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.353 -10.608 -4.006 1.00 0.00 H new ATOM 300 N THR A 22 11.804 -3.797 2.447 1.00 0.00 N ATOM 301 CA THR A 22 11.220 -3.458 3.742 1.00 0.00 C ATOM 302 C THR A 22 9.699 -3.423 3.668 1.00 0.00 C ATOM 303 O THR A 22 9.126 -2.702 2.850 1.00 0.00 O ATOM 304 CB THR A 22 11.725 -2.092 4.251 1.00 0.00 C ATOM 305 OG1 THR A 22 13.145 -2.128 4.425 1.00 0.00 O ATOM 306 CG2 THR A 22 11.059 -1.717 5.567 1.00 0.00 C ATOM 0 H THR A 22 12.418 -3.081 2.058 1.00 0.00 H new ATOM 0 HA THR A 22 11.532 -4.236 4.439 1.00 0.00 H new ATOM 0 HB THR A 22 11.467 -1.339 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.442 -3.059 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.434 -0.750 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.980 -1.658 5.425 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.285 -2.474 6.318 1.00 0.00 H new ATOM 314 N LYS A 23 9.047 -4.196 4.530 1.00 0.00 N ATOM 315 CA LYS A 23 7.593 -4.240 4.559 1.00 0.00 C ATOM 316 C LYS A 23 7.037 -3.004 5.257 1.00 0.00 C ATOM 317 O LYS A 23 7.433 -2.678 6.377 1.00 0.00 O ATOM 318 CB LYS A 23 7.106 -5.513 5.254 1.00 0.00 C ATOM 319 CG LYS A 23 7.512 -5.613 6.716 1.00 0.00 C ATOM 320 CD LYS A 23 7.055 -6.928 7.328 1.00 0.00 C ATOM 321 CE LYS A 23 7.400 -7.006 8.806 1.00 0.00 C ATOM 322 NZ LYS A 23 8.864 -6.890 9.044 1.00 0.00 N ATOM 0 H LYS A 23 9.503 -4.798 5.215 1.00 0.00 H new ATOM 0 HA LYS A 23 7.229 -4.250 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.019 -5.559 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.496 -6.379 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.595 -5.527 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.081 -4.781 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.978 -7.035 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.524 -7.758 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.882 -6.211 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.040 -7.951 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.073 -7.116 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.370 -7.554 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.173 -5.919 8.837 1.00 0.00 H new ATOM 336 N VAL A 24 6.125 -2.314 4.584 1.00 0.00 N ATOM 337 CA VAL A 24 5.522 -1.109 5.136 1.00 0.00 C ATOM 338 C VAL A 24 4.062 -1.335 5.512 1.00 0.00 C ATOM 339 O VAL A 24 3.256 -1.771 4.689 1.00 0.00 O ATOM 340 CB VAL A 24 5.622 0.065 4.141 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.068 0.511 3.995 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.050 -0.327 2.786 1.00 0.00 C ATOM 0 H VAL A 24 5.787 -2.568 3.656 1.00 0.00 H new ATOM 0 HA VAL A 24 6.078 -0.860 6.040 1.00 0.00 H new ATOM 0 HB VAL A 24 5.036 0.897 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.124 1.340 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.449 0.833 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.670 -0.320 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.131 0.516 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.607 -1.175 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.002 -0.603 2.900 1.00 0.00 H new ATOM 352 N THR A 25 3.729 -1.033 6.765 1.00 0.00 N ATOM 353 CA THR A 25 2.366 -1.200 7.253 1.00 0.00 C ATOM 354 C THR A 25 1.446 -0.138 6.664 1.00 0.00 C ATOM 355 O THR A 25 1.667 1.060 6.850 1.00 0.00 O ATOM 356 CB THR A 25 2.307 -1.123 8.792 1.00 0.00 C ATOM 357 OG1 THR A 25 3.145 -2.133 9.366 1.00 0.00 O ATOM 358 CG2 THR A 25 0.880 -1.299 9.292 1.00 0.00 C ATOM 0 H THR A 25 4.384 -0.672 7.458 1.00 0.00 H new ATOM 0 HA THR A 25 2.030 -2.187 6.936 1.00 0.00 H new ATOM 0 HB THR A 25 2.662 -0.138 9.096 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.103 -2.076 10.343 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.866 -1.241 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.250 -0.512 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.501 -2.271 8.976 1.00 0.00 H new ATOM 366 N ILE A 26 0.413 -0.582 5.957 1.00 0.00 N ATOM 367 CA ILE A 26 -0.539 0.333 5.346 1.00 0.00 C ATOM 368 C ILE A 26 -1.566 0.815 6.366 1.00 0.00 C ATOM 369 O ILE A 26 -2.049 0.040 7.192 1.00 0.00 O ATOM 370 CB ILE A 26 -1.268 -0.316 4.153 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.255 -0.763 3.095 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.273 0.657 3.553 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.886 -1.447 1.899 1.00 0.00 C ATOM 0 H ILE A 26 0.215 -1.569 5.794 1.00 0.00 H new ATOM 0 HA ILE A 26 0.033 1.186 4.980 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.809 -1.193 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.306 0.106 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.462 -1.443 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.780 0.184 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.007 0.934 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.753 1.550 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.108 -1.735 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.423 -2.336 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.581 -0.762 1.413 1.00 0.00 H new ATOM 385 N ARG A 27 -1.892 2.099 6.300 1.00 0.00 N ATOM 386 CA ARG A 27 -2.860 2.696 7.210 1.00 0.00 C ATOM 387 C ARG A 27 -3.622 3.807 6.500 1.00 0.00 C ATOM 388 O ARG A 27 -3.017 4.707 5.920 1.00 0.00 O ATOM 389 CB ARG A 27 -2.144 3.259 8.442 1.00 0.00 C ATOM 390 CG ARG A 27 -3.082 3.799 9.510 1.00 0.00 C ATOM 391 CD ARG A 27 -3.864 2.685 10.186 1.00 0.00 C ATOM 392 NE ARG A 27 -4.732 3.193 11.246 1.00 0.00 N ATOM 393 CZ ARG A 27 -5.491 2.419 12.019 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.488 1.103 11.857 1.00 0.00 N ATOM 395 NH2 ARG A 27 -6.254 2.964 12.957 1.00 0.00 N ATOM 0 H ARG A 27 -1.497 2.750 5.621 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.565 1.929 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.525 2.476 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.472 4.057 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.507 4.345 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.776 4.509 9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.466 2.162 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.170 1.956 10.604 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.758 4.200 11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.902 0.679 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.071 0.515 12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.259 3.976 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.836 2.371 13.549 1.00 0.00 H new ATOM 409 N GLY A 28 -4.950 3.741 6.540 1.00 0.00 N ATOM 410 CA GLY A 28 -5.758 4.752 5.883 1.00 0.00 C ATOM 411 C GLY A 28 -7.227 4.665 6.249 1.00 0.00 C ATOM 412 O GLY A 28 -7.571 4.528 7.423 1.00 0.00 O ATOM 0 H GLY A 28 -5.479 3.008 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.381 5.740 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.651 4.649 4.803 1.00 0.00 H new ATOM 416 N GLU A 29 -8.097 4.756 5.243 1.00 0.00 N ATOM 417 CA GLU A 29 -9.538 4.699 5.470 1.00 0.00 C ATOM 418 C GLU A 29 -10.271 4.088 4.277 1.00 0.00 C ATOM 419 O GLU A 29 -9.980 4.408 3.124 1.00 0.00 O ATOM 420 CB GLU A 29 -10.092 6.104 5.732 1.00 0.00 C ATOM 421 CG GLU A 29 -9.433 6.829 6.894 1.00 0.00 C ATOM 422 CD GLU A 29 -10.065 8.180 7.168 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.040 9.041 6.263 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.588 8.375 8.285 1.00 0.00 O ATOM 0 H GLU A 29 -7.828 4.869 4.266 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.704 4.066 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.972 6.703 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.162 6.030 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.501 6.211 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.373 6.964 6.680 1.00 0.00 H new ATOM 431 N ASN A 30 -11.240 3.223 4.572 1.00 0.00 N ATOM 432 CA ASN A 30 -12.052 2.572 3.544 1.00 0.00 C ATOM 433 C ASN A 30 -11.216 1.723 2.586 1.00 0.00 C ATOM 434 O ASN A 30 -11.476 1.704 1.383 1.00 0.00 O ATOM 435 CB ASN A 30 -12.835 3.620 2.750 1.00 0.00 C ATOM 436 CG ASN A 30 -13.744 4.453 3.632 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.637 3.927 4.296 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.522 5.762 3.642 1.00 0.00 N ATOM 0 H ASN A 30 -11.484 2.954 5.525 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.740 1.902 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.136 4.276 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.432 3.122 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.103 6.373 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.771 6.156 3.076 1.00 0.00 H new ATOM 445 N LEU A 31 -10.233 1.002 3.119 1.00 0.00 N ATOM 446 CA LEU A 31 -9.396 0.136 2.291 1.00 0.00 C ATOM 447 C LEU A 31 -10.065 -1.223 2.087 1.00 0.00 C ATOM 448 O LEU A 31 -9.470 -2.267 2.357 1.00 0.00 O ATOM 449 CB LEU A 31 -8.005 -0.048 2.909 1.00 0.00 C ATOM 450 CG LEU A 31 -7.036 1.121 2.704 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.534 2.370 3.412 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.646 0.749 3.194 1.00 0.00 C ATOM 0 H LEU A 31 -9.997 0.999 4.111 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.276 0.619 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.121 -0.218 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.556 -0.948 2.490 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.983 1.336 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.829 3.185 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.509 2.650 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.622 2.172 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.969 1.590 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.688 0.505 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.283 -0.115 2.637 1.00 0.00 H new ATOM 464 N GLY A 32 -11.308 -1.196 1.615 1.00 0.00 N ATOM 465 CA GLY A 32 -12.048 -2.426 1.386 1.00 0.00 C ATOM 466 C GLY A 32 -12.590 -3.025 2.668 1.00 0.00 C ATOM 467 O GLY A 32 -11.856 -3.196 3.641 1.00 0.00 O ATOM 0 H GLY A 32 -11.818 -0.343 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.875 -2.227 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.398 -3.151 0.896 1.00 0.00 H new ATOM 471 N THR A 33 -13.882 -3.339 2.669 1.00 0.00 N ATOM 472 CA THR A 33 -14.532 -3.918 3.839 1.00 0.00 C ATOM 473 C THR A 33 -14.636 -5.437 3.723 1.00 0.00 C ATOM 474 O THR A 33 -15.668 -6.025 4.049 1.00 0.00 O ATOM 475 CB THR A 33 -15.942 -3.331 4.040 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.761 -3.626 2.901 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.878 -1.824 4.244 1.00 0.00 C ATOM 0 H THR A 33 -14.501 -3.201 1.870 1.00 0.00 H new ATOM 0 HA THR A 33 -13.913 -3.668 4.700 1.00 0.00 H new ATOM 0 HB THR A 33 -16.377 -3.785 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.656 -3.251 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.886 -1.433 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.277 -1.601 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.426 -1.357 3.369 1.00 0.00 H new ATOM 485 N GLY A 34 -13.562 -6.068 3.256 1.00 0.00 N ATOM 486 CA GLY A 34 -13.560 -7.512 3.106 1.00 0.00 C ATOM 487 C GLY A 34 -12.294 -8.031 2.447 1.00 0.00 C ATOM 488 O GLY A 34 -11.767 -7.397 1.533 1.00 0.00 O ATOM 0 H GLY A 34 -12.696 -5.606 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.670 -7.975 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.423 -7.813 2.512 1.00 0.00 H new ATOM 492 N PRO A 35 -11.778 -9.194 2.891 1.00 0.00 N ATOM 493 CA PRO A 35 -10.561 -9.784 2.324 1.00 0.00 C ATOM 494 C PRO A 35 -10.678 -10.007 0.820 1.00 0.00 C ATOM 495 O PRO A 35 -9.776 -9.658 0.057 1.00 0.00 O ATOM 496 CB PRO A 35 -10.432 -11.127 3.051 1.00 0.00 C ATOM 497 CG PRO A 35 -11.222 -10.967 4.304 1.00 0.00 C ATOM 498 CD PRO A 35 -12.341 -10.019 3.976 1.00 0.00 C ATOM 0 HA PRO A 35 -9.697 -9.132 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.820 -11.944 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.389 -11.359 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.612 -11.927 4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.601 -10.573 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.237 -10.550 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.621 -9.414 4.838 1.00 0.00 H new ATOM 506 N THR A 36 -11.796 -10.591 0.404 1.00 0.00 N ATOM 507 CA THR A 36 -12.042 -10.863 -1.007 1.00 0.00 C ATOM 508 C THR A 36 -12.167 -9.573 -1.809 1.00 0.00 C ATOM 509 O THR A 36 -11.769 -9.517 -2.972 1.00 0.00 O ATOM 510 CB THR A 36 -13.316 -11.705 -1.206 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.446 -11.029 -0.643 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.164 -13.074 -0.561 1.00 0.00 C ATOM 0 H THR A 36 -12.549 -10.886 1.026 1.00 0.00 H new ATOM 0 HA THR A 36 -11.183 -11.427 -1.370 1.00 0.00 H new ATOM 0 HB THR A 36 -13.472 -11.839 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.251 -11.571 -0.776 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.076 -13.652 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.322 -13.598 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.985 -12.955 0.508 1.00 0.00 H new ATOM 520 N ASP A 37 -12.725 -8.540 -1.181 1.00 0.00 N ATOM 521 CA ASP A 37 -12.904 -7.250 -1.839 1.00 0.00 C ATOM 522 C ASP A 37 -11.599 -6.771 -2.467 1.00 0.00 C ATOM 523 O ASP A 37 -11.586 -6.274 -3.593 1.00 0.00 O ATOM 524 CB ASP A 37 -13.421 -6.211 -0.844 1.00 0.00 C ATOM 525 CG ASP A 37 -14.782 -6.575 -0.284 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.900 -7.651 0.341 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.731 -5.786 -0.472 1.00 0.00 O ATOM 0 H ASP A 37 -13.060 -8.572 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.640 -7.376 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.709 -6.111 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.481 -5.240 -1.335 1.00 0.00 H new ATOM 532 N LEU A 38 -10.500 -6.928 -1.737 1.00 0.00 N ATOM 533 CA LEU A 38 -9.194 -6.515 -2.237 1.00 0.00 C ATOM 534 C LEU A 38 -8.803 -7.378 -3.436 1.00 0.00 C ATOM 535 O LEU A 38 -8.821 -8.606 -3.357 1.00 0.00 O ATOM 536 CB LEU A 38 -8.136 -6.643 -1.132 1.00 0.00 C ATOM 537 CG LEU A 38 -6.972 -5.648 -1.201 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.961 -5.937 -0.103 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.295 -5.681 -2.564 1.00 0.00 C ATOM 0 H LEU A 38 -10.487 -7.336 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.249 -5.472 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.630 -6.528 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.727 -7.653 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.379 -4.648 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.141 -5.222 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.445 -5.849 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.571 -6.948 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.474 -4.964 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.907 -6.682 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.019 -5.421 -3.336 1.00 0.00 H new ATOM 551 N ILE A 39 -8.453 -6.733 -4.544 1.00 0.00 N ATOM 552 CA ILE A 39 -8.062 -7.453 -5.751 1.00 0.00 C ATOM 553 C ILE A 39 -6.805 -6.856 -6.369 1.00 0.00 C ATOM 554 O ILE A 39 -5.890 -7.581 -6.760 1.00 0.00 O ATOM 555 CB ILE A 39 -9.190 -7.458 -6.804 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.604 -6.026 -7.161 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.384 -8.251 -6.292 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.666 -5.949 -8.237 1.00 0.00 C ATOM 0 H ILE A 39 -8.432 -5.717 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.860 -8.480 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.817 -7.938 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.972 -5.529 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.724 -5.475 -7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.173 -8.247 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.079 -9.278 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.756 -7.797 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.907 -4.905 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.294 -6.416 -9.149 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.562 -6.471 -7.902 1.00 0.00 H new ATOM 570 N GLY A 40 -6.764 -5.532 -6.455 1.00 0.00 N ATOM 571 CA GLY A 40 -5.612 -4.862 -7.023 1.00 0.00 C ATOM 572 C GLY A 40 -4.690 -4.298 -5.963 1.00 0.00 C ATOM 573 O GLY A 40 -5.149 -3.700 -4.989 1.00 0.00 O ATOM 0 H GLY A 40 -7.509 -4.911 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.058 -5.564 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.949 -4.055 -7.674 1.00 0.00 H new ATOM 577 N LEU A 41 -3.389 -4.483 -6.149 1.00 0.00 N ATOM 578 CA LEU A 41 -2.406 -3.981 -5.198 1.00 0.00 C ATOM 579 C LEU A 41 -1.115 -3.621 -5.923 1.00 0.00 C ATOM 580 O LEU A 41 -0.554 -4.440 -6.652 1.00 0.00 O ATOM 581 CB LEU A 41 -2.140 -5.035 -4.113 1.00 0.00 C ATOM 582 CG LEU A 41 -1.413 -4.538 -2.853 1.00 0.00 C ATOM 583 CD1 LEU A 41 0.020 -4.133 -3.163 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.171 -3.377 -2.223 1.00 0.00 C ATOM 0 H LEU A 41 -2.991 -4.976 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.797 -3.082 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.095 -5.466 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.552 -5.840 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.380 -5.362 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.506 -3.786 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.563 -4.991 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.020 -3.331 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.642 -3.038 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.241 -2.557 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.174 -3.704 -1.947 1.00 0.00 H new ATOM 596 N THR A 42 -0.651 -2.392 -5.718 1.00 0.00 N ATOM 597 CA THR A 42 0.571 -1.916 -6.354 1.00 0.00 C ATOM 598 C THR A 42 1.221 -0.789 -5.562 1.00 0.00 C ATOM 599 O THR A 42 0.542 0.086 -5.025 1.00 0.00 O ATOM 600 CB THR A 42 0.313 -1.411 -7.788 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.884 -0.626 -7.826 1.00 0.00 O ATOM 602 CG2 THR A 42 0.210 -2.563 -8.775 1.00 0.00 C ATOM 0 H THR A 42 -1.105 -1.706 -5.114 1.00 0.00 H new ATOM 0 HA THR A 42 1.242 -2.775 -6.385 1.00 0.00 H new ATOM 0 HB THR A 42 1.161 -0.792 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.038 -0.309 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.028 -2.170 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.141 -3.129 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.613 -3.217 -8.487 1.00 0.00 H new ATOM 610 N ILE A 43 2.546 -0.813 -5.520 1.00 0.00 N ATOM 611 CA ILE A 43 3.320 0.204 -4.829 1.00 0.00 C ATOM 612 C ILE A 43 4.408 0.726 -5.754 1.00 0.00 C ATOM 613 O ILE A 43 5.209 -0.050 -6.277 1.00 0.00 O ATOM 614 CB ILE A 43 3.966 -0.347 -3.544 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.886 -0.789 -2.553 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.878 0.701 -2.920 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.439 -1.395 -1.281 1.00 0.00 C ATOM 0 H ILE A 43 3.112 -1.537 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 43 2.641 1.009 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 43 4.571 -1.217 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.267 0.071 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.235 -1.516 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.328 0.298 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.664 0.967 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.296 1.589 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.616 -1.684 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.034 -2.275 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.066 -0.663 -0.772 1.00 0.00 H new ATOM 629 N CYS A 44 4.423 2.036 -5.968 1.00 0.00 N ATOM 630 CA CYS A 44 5.405 2.647 -6.853 1.00 0.00 C ATOM 631 C CYS A 44 5.342 1.990 -8.229 1.00 0.00 C ATOM 632 O CYS A 44 6.369 1.751 -8.865 1.00 0.00 O ATOM 633 CB CYS A 44 6.814 2.512 -6.269 1.00 0.00 C ATOM 634 SG CYS A 44 7.002 3.219 -4.615 1.00 0.00 S ATOM 0 H CYS A 44 3.769 2.693 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 44 5.174 3.708 -6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.080 1.456 -6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.522 2.996 -6.942 1.00 0.00 H new ATOM 0 HG CYS A 44 8.226 3.053 -4.209 1.00 0.00 H new ATOM 640 N GLY A 45 4.123 1.695 -8.679 1.00 0.00 N ATOM 641 CA GLY A 45 3.936 1.060 -9.971 1.00 0.00 C ATOM 642 C GLY A 45 4.177 -0.439 -9.933 1.00 0.00 C ATOM 643 O GLY A 45 3.537 -1.193 -10.667 1.00 0.00 O ATOM 0 H GLY A 45 3.261 1.886 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.921 1.251 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.613 1.514 -10.695 1.00 0.00 H new ATOM 647 N HIS A 46 5.101 -0.873 -9.082 1.00 0.00 N ATOM 648 CA HIS A 46 5.425 -2.290 -8.959 1.00 0.00 C ATOM 649 C HIS A 46 4.308 -3.050 -8.250 1.00 0.00 C ATOM 650 O HIS A 46 3.857 -2.649 -7.179 1.00 0.00 O ATOM 651 CB HIS A 46 6.738 -2.467 -8.195 1.00 0.00 C ATOM 652 CG HIS A 46 7.172 -3.895 -8.075 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.346 -4.679 -6.985 1.00 0.00 N flip ATOM 654 CD2 HIS A 46 7.478 -4.684 -9.163 1.00 0.00 C flip ATOM 655 CE1 HIS A 46 7.751 -5.913 -7.431 1.00 0.00 C flip ATOM 656 NE2 HIS A 46 7.823 -5.890 -8.748 1.00 0.00 N flip ATOM 0 H HIS A 46 5.639 -0.263 -8.467 1.00 0.00 H new ATOM 0 HA HIS A 46 5.534 -2.698 -9.964 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.521 -1.899 -8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.628 -2.044 -7.196 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.203 -4.404 -6.013 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.441 -4.366 -10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.974 -6.764 -6.805 1.00 0.00 H new ATOM 665 N ASN A 47 3.871 -4.152 -8.850 1.00 0.00 N ATOM 666 CA ASN A 47 2.811 -4.971 -8.268 1.00 0.00 C ATOM 667 C ASN A 47 3.309 -5.699 -7.023 1.00 0.00 C ATOM 668 O ASN A 47 4.443 -6.180 -6.986 1.00 0.00 O ATOM 669 CB ASN A 47 2.293 -5.977 -9.296 1.00 0.00 C ATOM 670 CG ASN A 47 1.690 -5.303 -10.512 1.00 0.00 C ATOM 671 OD1 ASN A 47 2.362 -4.547 -11.214 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.415 -5.574 -10.769 1.00 0.00 N ATOM 0 H ASN A 47 4.233 -4.499 -9.738 1.00 0.00 H new ATOM 0 HA ASN A 47 1.993 -4.312 -7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.112 -6.624 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.543 -6.616 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.044 -5.149 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.105 -6.207 -10.161 1.00 0.00 H new ATOM 679 N CYS A 48 2.456 -5.777 -6.006 1.00 0.00 N ATOM 680 CA CYS A 48 2.809 -6.448 -4.757 1.00 0.00 C ATOM 681 C CYS A 48 1.570 -7.039 -4.088 1.00 0.00 C ATOM 682 O CYS A 48 1.419 -6.974 -2.867 1.00 0.00 O ATOM 683 CB CYS A 48 3.491 -5.466 -3.800 1.00 0.00 C ATOM 684 SG CYS A 48 5.037 -4.769 -4.428 1.00 0.00 S ATOM 0 H CYS A 48 1.515 -5.384 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 48 3.499 -7.258 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.801 -4.651 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.692 -5.975 -2.857 1.00 0.00 H new ATOM 0 HG CYS A 48 5.310 -5.292 -5.586 1.00 0.00 H new ATOM 690 N LEU A 49 0.686 -7.614 -4.897 1.00 0.00 N ATOM 691 CA LEU A 49 -0.542 -8.216 -4.389 1.00 0.00 C ATOM 692 C LEU A 49 -0.256 -9.523 -3.651 1.00 0.00 C ATOM 693 O LEU A 49 -0.813 -9.778 -2.583 1.00 0.00 O ATOM 694 CB LEU A 49 -1.524 -8.466 -5.539 1.00 0.00 C ATOM 695 CG LEU A 49 -2.833 -9.154 -5.144 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.672 -8.242 -4.261 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.611 -9.568 -6.385 1.00 0.00 C ATOM 0 H LEU A 49 0.797 -7.676 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.989 -7.519 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.762 -7.510 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.026 -9.075 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.593 -10.052 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.598 -8.749 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.115 -7.998 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.905 -7.325 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.539 -10.056 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.841 -8.685 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.011 -10.260 -6.976 1.00 0.00 H new ATOM 709 N LEU A 50 0.607 -10.353 -4.233 1.00 0.00 N ATOM 710 CA LEU A 50 0.957 -11.640 -3.635 1.00 0.00 C ATOM 711 C LEU A 50 1.498 -11.467 -2.217 1.00 0.00 C ATOM 712 O LEU A 50 1.210 -12.274 -1.331 1.00 0.00 O ATOM 713 CB LEU A 50 1.988 -12.384 -4.496 1.00 0.00 C ATOM 714 CG LEU A 50 3.396 -11.775 -4.533 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.380 -12.755 -5.154 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.406 -10.465 -5.308 1.00 0.00 C ATOM 0 H LEU A 50 1.077 -10.158 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 50 0.043 -12.232 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.066 -13.408 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.609 -12.437 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 50 3.699 -11.568 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.374 -12.309 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.404 -13.670 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.067 -12.989 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.416 -10.056 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.077 -10.645 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.732 -9.754 -4.830 1.00 0.00 H new ATOM 728 N THR A 51 2.286 -10.419 -2.008 1.00 0.00 N ATOM 729 CA THR A 51 2.873 -10.151 -0.701 1.00 0.00 C ATOM 730 C THR A 51 1.868 -9.482 0.233 1.00 0.00 C ATOM 731 O THR A 51 1.853 -9.746 1.435 1.00 0.00 O ATOM 732 CB THR A 51 4.124 -9.259 -0.819 1.00 0.00 C ATOM 733 OG1 THR A 51 3.786 -8.023 -1.461 1.00 0.00 O ATOM 734 CG2 THR A 51 5.222 -9.963 -1.604 1.00 0.00 C ATOM 0 H THR A 51 2.533 -9.740 -2.728 1.00 0.00 H new ATOM 0 HA THR A 51 3.162 -11.115 -0.283 1.00 0.00 H new ATOM 0 HB THR A 51 4.494 -9.056 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.907 -8.105 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.094 -9.313 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.498 -10.887 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.862 -10.194 -2.606 1.00 0.00 H new ATOM 742 N ALA A 52 1.032 -8.613 -0.327 1.00 0.00 N ATOM 743 CA ALA A 52 0.027 -7.904 0.457 1.00 0.00 C ATOM 744 C ALA A 52 -0.934 -8.871 1.143 1.00 0.00 C ATOM 745 O ALA A 52 -1.446 -9.801 0.520 1.00 0.00 O ATOM 746 CB ALA A 52 -0.745 -6.938 -0.428 1.00 0.00 C ATOM 0 H ALA A 52 1.031 -8.383 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 52 0.547 -7.343 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.492 -6.415 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.056 -6.214 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.241 -7.492 -1.225 1.00 0.00 H new ATOM 752 N GLU A 53 -1.178 -8.639 2.431 1.00 0.00 N ATOM 753 CA GLU A 53 -2.082 -9.479 3.209 1.00 0.00 C ATOM 754 C GLU A 53 -3.144 -8.626 3.901 1.00 0.00 C ATOM 755 O GLU A 53 -2.821 -7.669 4.607 1.00 0.00 O ATOM 756 CB GLU A 53 -1.293 -10.286 4.243 1.00 0.00 C ATOM 757 CG GLU A 53 -2.152 -11.232 5.069 1.00 0.00 C ATOM 758 CD GLU A 53 -1.344 -12.010 6.089 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.429 -12.754 5.678 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.625 -11.873 7.297 1.00 0.00 O ATOM 0 H GLU A 53 -0.760 -7.873 2.958 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.583 -10.170 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.524 -10.863 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.780 -9.597 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.925 -10.661 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.660 -11.930 4.404 1.00 0.00 H new ATOM 767 N TRP A 54 -4.409 -8.973 3.687 1.00 0.00 N ATOM 768 CA TRP A 54 -5.523 -8.236 4.279 1.00 0.00 C ATOM 769 C TRP A 54 -5.585 -8.443 5.790 1.00 0.00 C ATOM 770 O TRP A 54 -5.152 -9.472 6.306 1.00 0.00 O ATOM 771 CB TRP A 54 -6.845 -8.670 3.645 1.00 0.00 C ATOM 772 CG TRP A 54 -8.009 -7.820 4.057 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.409 -6.646 3.486 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.907 -8.064 5.144 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.512 -6.156 4.139 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.837 -7.008 5.163 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.020 -9.078 6.097 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.864 -6.937 6.102 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.037 -9.006 7.029 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.949 -7.943 7.024 1.00 0.00 C ATOM 0 H TRP A 54 -4.690 -9.763 3.106 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.359 -7.176 4.084 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.747 -8.638 2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.047 -9.706 3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.928 -6.172 2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.009 -5.298 3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.324 -9.904 6.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.567 -6.117 6.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.130 -9.782 7.774 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.736 -7.917 7.764 1.00 0.00 H new ATOM 791 N MET A 55 -6.139 -7.455 6.491 1.00 0.00 N ATOM 792 CA MET A 55 -6.276 -7.518 7.944 1.00 0.00 C ATOM 793 C MET A 55 -7.530 -6.787 8.407 1.00 0.00 C ATOM 794 O MET A 55 -8.274 -7.283 9.254 1.00 0.00 O ATOM 795 CB MET A 55 -5.054 -6.910 8.628 1.00 0.00 C ATOM 796 CG MET A 55 -3.820 -7.788 8.556 1.00 0.00 C ATOM 797 SD MET A 55 -2.424 -7.088 9.452 1.00 0.00 S ATOM 798 CE MET A 55 -1.312 -8.485 9.449 1.00 0.00 C ATOM 0 H MET A 55 -6.502 -6.598 6.073 1.00 0.00 H new ATOM 0 HA MET A 55 -6.357 -8.569 8.221 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.832 -5.947 8.168 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.292 -6.717 9.674 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.053 -8.772 8.964 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.542 -7.934 7.512 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.391 -8.218 9.968 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.784 -9.327 9.956 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.081 -8.764 8.421 1.00 0.00 H new ATOM 808 N SER A 56 -7.755 -5.603 7.846 1.00 0.00 N ATOM 809 CA SER A 56 -8.915 -4.793 8.199 1.00 0.00 C ATOM 810 C SER A 56 -9.066 -3.622 7.235 1.00 0.00 C ATOM 811 O SER A 56 -8.206 -3.394 6.383 1.00 0.00 O ATOM 812 CB SER A 56 -8.788 -4.275 9.633 1.00 0.00 C ATOM 813 OG SER A 56 -7.624 -3.483 9.788 1.00 0.00 O ATOM 0 H SER A 56 -7.147 -5.183 7.143 1.00 0.00 H new ATOM 0 HA SER A 56 -9.803 -5.421 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.669 -3.686 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.754 -5.116 10.325 1.00 0.00 H new ATOM 0 HG SER A 56 -7.567 -3.163 10.712 1.00 0.00 H new ATOM 819 N ALA A 57 -10.163 -2.884 7.371 1.00 0.00 N ATOM 820 CA ALA A 57 -10.423 -1.738 6.508 1.00 0.00 C ATOM 821 C ALA A 57 -9.582 -0.528 6.914 1.00 0.00 C ATOM 822 O ALA A 57 -10.049 0.610 6.846 1.00 0.00 O ATOM 823 CB ALA A 57 -11.903 -1.387 6.535 1.00 0.00 C ATOM 0 H ALA A 57 -10.885 -3.059 8.070 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.139 -2.012 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.086 -0.530 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.485 -2.238 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.200 -1.141 7.554 1.00 0.00 H new ATOM 829 N SER A 58 -8.341 -0.779 7.329 1.00 0.00 N ATOM 830 CA SER A 58 -7.437 0.292 7.737 1.00 0.00 C ATOM 831 C SER A 58 -6.057 -0.258 8.088 1.00 0.00 C ATOM 832 O SER A 58 -5.309 0.360 8.845 1.00 0.00 O ATOM 833 CB SER A 58 -8.016 1.049 8.936 1.00 0.00 C ATOM 834 OG SER A 58 -8.216 0.183 10.040 1.00 0.00 O ATOM 0 H SER A 58 -7.940 -1.715 7.391 1.00 0.00 H new ATOM 0 HA SER A 58 -7.330 0.979 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.341 1.856 9.221 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.963 1.510 8.656 1.00 0.00 H new ATOM 0 HG SER A 58 -8.585 0.692 10.792 1.00 0.00 H new ATOM 840 N LYS A 59 -5.718 -1.417 7.527 1.00 0.00 N ATOM 841 CA LYS A 59 -4.420 -2.035 7.777 1.00 0.00 C ATOM 842 C LYS A 59 -4.132 -3.139 6.764 1.00 0.00 C ATOM 843 O LYS A 59 -4.952 -4.036 6.563 1.00 0.00 O ATOM 844 CB LYS A 59 -4.355 -2.613 9.193 1.00 0.00 C ATOM 845 CG LYS A 59 -2.990 -3.182 9.548 1.00 0.00 C ATOM 846 CD LYS A 59 -3.001 -3.858 10.908 1.00 0.00 C ATOM 847 CE LYS A 59 -1.611 -4.331 11.305 1.00 0.00 C ATOM 848 NZ LYS A 59 -0.646 -3.201 11.395 1.00 0.00 N ATOM 0 H LYS A 59 -6.323 -1.945 6.898 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.664 -1.257 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.613 -1.833 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.105 -3.398 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.686 -3.900 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.250 -2.382 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.378 -3.163 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.684 -4.707 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.662 -4.842 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.253 -5.058 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.124 -3.347 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.135 -2.309 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.251 -3.157 12.356 1.00 0.00 H new ATOM 862 N ILE A 60 -2.958 -3.073 6.142 1.00 0.00 N ATOM 863 CA ILE A 60 -2.548 -4.072 5.157 1.00 0.00 C ATOM 864 C ILE A 60 -1.028 -4.192 5.113 1.00 0.00 C ATOM 865 O ILE A 60 -0.329 -3.227 4.809 1.00 0.00 O ATOM 866 CB ILE A 60 -3.053 -3.723 3.736 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.585 -3.682 3.693 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.520 -4.730 2.725 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.147 -3.299 2.340 1.00 0.00 C ATOM 0 H ILE A 60 -2.271 -2.336 6.303 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.992 -5.018 5.468 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.681 -2.732 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.974 -4.661 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.942 -2.971 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.883 -4.473 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.430 -4.709 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.865 -5.729 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.236 -3.291 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.789 -2.307 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.821 -4.023 1.593 1.00 0.00 H new ATOM 881 N VAL A 61 -0.521 -5.385 5.409 1.00 0.00 N ATOM 882 CA VAL A 61 0.918 -5.626 5.390 1.00 0.00 C ATOM 883 C VAL A 61 1.380 -6.003 3.989 1.00 0.00 C ATOM 884 O VAL A 61 0.758 -6.827 3.322 1.00 0.00 O ATOM 885 CB VAL A 61 1.325 -6.741 6.373 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.832 -6.952 6.353 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.848 -6.410 7.778 1.00 0.00 C ATOM 0 H VAL A 61 -1.083 -6.197 5.664 1.00 0.00 H new ATOM 0 HA VAL A 61 1.400 -4.699 5.700 1.00 0.00 H new ATOM 0 HB VAL A 61 0.848 -7.669 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.098 -7.743 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.146 -7.236 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.333 -6.028 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.143 -7.207 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.296 -5.471 8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.238 -6.314 7.781 1.00 0.00 H new ATOM 897 N CYS A 62 2.473 -5.394 3.545 1.00 0.00 N ATOM 898 CA CYS A 62 3.012 -5.669 2.219 1.00 0.00 C ATOM 899 C CYS A 62 4.391 -5.046 2.055 1.00 0.00 C ATOM 900 O CYS A 62 4.672 -3.980 2.605 1.00 0.00 O ATOM 901 CB CYS A 62 2.071 -5.138 1.136 1.00 0.00 C ATOM 902 SG CYS A 62 1.797 -3.353 1.208 1.00 0.00 S ATOM 0 H CYS A 62 3.003 -4.708 4.083 1.00 0.00 H new ATOM 0 HA CYS A 62 3.102 -6.750 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.479 -5.393 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.111 -5.646 1.223 1.00 0.00 H new ATOM 0 HG CYS A 62 1.168 -2.967 0.138 1.00 0.00 H new ATOM 908 N ARG A 63 5.249 -5.718 1.297 1.00 0.00 N ATOM 909 CA ARG A 63 6.599 -5.228 1.063 1.00 0.00 C ATOM 910 C ARG A 63 6.617 -4.222 -0.079 1.00 0.00 C ATOM 911 O ARG A 63 6.053 -4.467 -1.145 1.00 0.00 O ATOM 912 CB ARG A 63 7.540 -6.391 0.747 1.00 0.00 C ATOM 913 CG ARG A 63 7.595 -7.440 1.843 1.00 0.00 C ATOM 914 CD ARG A 63 8.575 -8.552 1.506 1.00 0.00 C ATOM 915 NE ARG A 63 8.624 -9.570 2.551 1.00 0.00 N ATOM 916 CZ ARG A 63 9.029 -9.334 3.796 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.449 -8.124 4.144 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.021 -10.310 4.693 1.00 0.00 N ATOM 0 H ARG A 63 5.033 -6.602 0.835 1.00 0.00 H new ATOM 0 HA ARG A 63 6.941 -4.731 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.221 -6.864 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.544 -6.001 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.886 -6.970 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.602 -7.863 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.288 -9.015 0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.570 -8.129 1.365 1.00 0.00 H new ATOM 0 HE ARG A 63 8.331 -10.517 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.462 -7.371 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.759 -7.947 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.704 -11.243 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.332 -10.128 5.647 1.00 0.00 H new ATOM 932 N VAL A 64 7.269 -3.090 0.160 1.00 0.00 N ATOM 933 CA VAL A 64 7.373 -2.036 -0.840 1.00 0.00 C ATOM 934 C VAL A 64 8.247 -2.508 -2.017 1.00 0.00 C ATOM 935 O VAL A 64 8.114 -3.650 -2.458 1.00 0.00 O ATOM 936 CB VAL A 64 7.911 -0.738 -0.185 1.00 0.00 C ATOM 937 CG1 VAL A 64 9.363 -0.886 0.238 1.00 0.00 C ATOM 938 CG2 VAL A 64 7.712 0.472 -1.087 1.00 0.00 C ATOM 0 H VAL A 64 7.735 -2.879 1.042 1.00 0.00 H new ATOM 0 HA VAL A 64 6.386 -1.810 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 64 7.325 -0.567 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.706 0.043 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.451 -1.698 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.975 -1.110 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.102 1.362 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.243 0.317 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.649 0.605 -1.288 1.00 0.00 H new ATOM 948 N GLY A 65 9.130 -1.656 -2.525 1.00 0.00 N ATOM 949 CA GLY A 65 9.976 -2.057 -3.634 1.00 0.00 C ATOM 950 C GLY A 65 10.726 -0.896 -4.257 1.00 0.00 C ATOM 951 O GLY A 65 11.203 -0.005 -3.554 1.00 0.00 O ATOM 0 H GLY A 65 9.275 -0.703 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.693 -2.801 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.363 -2.537 -4.396 1.00 0.00 H new ATOM 955 N GLN A 66 10.832 -0.916 -5.582 1.00 0.00 N ATOM 956 CA GLN A 66 11.533 0.132 -6.321 1.00 0.00 C ATOM 957 C GLN A 66 10.602 1.293 -6.663 1.00 0.00 C ATOM 958 O GLN A 66 9.452 1.087 -7.051 1.00 0.00 O ATOM 959 CB GLN A 66 12.134 -0.451 -7.599 1.00 0.00 C ATOM 960 CG GLN A 66 11.108 -1.122 -8.498 1.00 0.00 C ATOM 961 CD GLN A 66 11.717 -1.743 -9.746 1.00 0.00 C ATOM 962 OE1 GLN A 66 13.034 -1.630 -9.895 1.00 0.00 O flip ATOM 963 NE2 GLN A 66 11.007 -2.319 -10.569 1.00 0.00 N flip ATOM 0 H GLN A 66 10.439 -1.651 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 66 12.330 0.519 -5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.628 0.346 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.902 -1.177 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.589 -1.896 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.359 -0.388 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.000 -2.384 -10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.425 -2.732 -11.403 1.00 0.00 H new ATOM 972 N ALA A 67 11.113 2.514 -6.518 1.00 0.00 N ATOM 973 CA ALA A 67 10.340 3.718 -6.813 1.00 0.00 C ATOM 974 C ALA A 67 10.264 3.979 -8.316 1.00 0.00 C ATOM 975 O ALA A 67 10.810 4.969 -8.808 1.00 0.00 O ATOM 976 CB ALA A 67 10.940 4.919 -6.097 1.00 0.00 C ATOM 0 H ALA A 67 12.064 2.696 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 67 9.324 3.560 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.354 5.809 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.929 4.744 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.967 5.065 -6.430 1.00 0.00 H new ATOM 982 N LYS A 68 9.589 3.091 -9.039 1.00 0.00 N ATOM 983 CA LYS A 68 9.444 3.229 -10.485 1.00 0.00 C ATOM 984 C LYS A 68 8.922 4.618 -10.848 1.00 0.00 C ATOM 985 O LYS A 68 9.412 5.251 -11.784 1.00 0.00 O ATOM 986 CB LYS A 68 8.502 2.152 -11.028 1.00 0.00 C ATOM 987 CG LYS A 68 8.987 0.733 -10.769 1.00 0.00 C ATOM 988 CD LYS A 68 8.008 -0.305 -11.301 1.00 0.00 C ATOM 989 CE LYS A 68 7.884 -0.239 -12.816 1.00 0.00 C ATOM 990 NZ LYS A 68 6.962 -1.283 -13.344 1.00 0.00 N ATOM 0 H LYS A 68 9.133 2.267 -8.647 1.00 0.00 H new ATOM 0 HA LYS A 68 10.426 3.102 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.519 2.279 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.380 2.295 -12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.960 0.590 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.126 0.586 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.338 -1.301 -11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.029 -0.147 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.522 0.747 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.869 -0.363 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.905 -1.204 -14.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.321 -2.225 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.016 -1.150 -12.934 1.00 0.00 H new ATOM 1004 N ASN A 69 7.931 5.089 -10.095 1.00 0.00 N ATOM 1005 CA ASN A 69 7.348 6.407 -10.327 1.00 0.00 C ATOM 1006 C ASN A 69 8.345 7.512 -9.970 1.00 0.00 C ATOM 1007 O ASN A 69 9.462 7.537 -10.488 1.00 0.00 O ATOM 1008 CB ASN A 69 6.060 6.571 -9.517 1.00 0.00 C ATOM 1009 CG ASN A 69 4.997 5.564 -9.907 1.00 0.00 C ATOM 1010 OD1 ASN A 69 4.546 4.779 -8.938 1.00 0.00 O flip ATOM 1011 ND2 ASN A 69 4.581 5.499 -11.064 1.00 0.00 N flip ATOM 0 H ASN A 69 7.515 4.576 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 69 7.107 6.492 -11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.286 6.464 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.671 7.579 -9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.957 6.124 -11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.860 4.821 -11.309 1.00 0.00 H new ATOM 1018 N ASP A 70 7.941 8.422 -9.085 1.00 0.00 N ATOM 1019 CA ASP A 70 8.806 9.520 -8.670 1.00 0.00 C ATOM 1020 C ASP A 70 8.291 10.165 -7.384 1.00 0.00 C ATOM 1021 O ASP A 70 8.349 11.384 -7.223 1.00 0.00 O ATOM 1022 CB ASP A 70 8.897 10.571 -9.779 1.00 0.00 C ATOM 1023 CG ASP A 70 7.544 11.158 -10.131 1.00 0.00 C ATOM 1024 OD1 ASP A 70 6.652 10.388 -10.545 1.00 0.00 O ATOM 1025 OD2 ASP A 70 7.376 12.387 -9.991 1.00 0.00 O ATOM 0 H ASP A 70 7.022 8.419 -8.643 1.00 0.00 H new ATOM 0 HA ASP A 70 9.799 9.114 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.566 11.371 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.337 10.120 -10.668 1.00 0.00 H new ATOM 1030 N LYS A 71 7.792 9.336 -6.470 1.00 0.00 N ATOM 1031 CA LYS A 71 7.271 9.815 -5.203 1.00 0.00 C ATOM 1032 C LYS A 71 6.972 8.644 -4.267 1.00 0.00 C ATOM 1033 O LYS A 71 7.291 8.691 -3.080 1.00 0.00 O ATOM 1034 CB LYS A 71 6.010 10.647 -5.428 1.00 0.00 C ATOM 1035 CG LYS A 71 5.329 11.046 -4.136 1.00 0.00 C ATOM 1036 CD LYS A 71 4.133 11.957 -4.377 1.00 0.00 C ATOM 1037 CE LYS A 71 4.550 13.289 -4.982 1.00 0.00 C ATOM 1038 NZ LYS A 71 3.383 14.190 -5.200 1.00 0.00 N ATOM 0 H LYS A 71 7.740 8.324 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 71 8.028 10.445 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.269 11.545 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.310 10.079 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.002 10.151 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.046 11.553 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.427 11.461 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.614 12.132 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.268 13.778 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.056 13.114 -5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.709 15.087 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.709 13.735 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.915 14.378 -4.291 1.00 0.00 H new ATOM 1052 N GLY A 72 6.364 7.595 -4.816 1.00 0.00 N ATOM 1053 CA GLY A 72 6.037 6.424 -4.021 1.00 0.00 C ATOM 1054 C GLY A 72 4.597 6.421 -3.541 1.00 0.00 C ATOM 1055 O GLY A 72 4.328 6.170 -2.366 1.00 0.00 O ATOM 0 H GLY A 72 6.092 7.535 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.220 5.527 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.702 6.379 -3.159 1.00 0.00 H new ATOM 1059 N ASP A 73 3.670 6.699 -4.454 1.00 0.00 N ATOM 1060 CA ASP A 73 2.250 6.727 -4.119 1.00 0.00 C ATOM 1061 C ASP A 73 1.702 5.319 -3.907 1.00 0.00 C ATOM 1062 O ASP A 73 1.907 4.430 -4.735 1.00 0.00 O ATOM 1063 CB ASP A 73 1.456 7.425 -5.227 1.00 0.00 C ATOM 1064 CG ASP A 73 1.889 8.863 -5.436 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.805 9.316 -4.720 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.311 9.535 -6.316 1.00 0.00 O ATOM 0 H ASP A 73 3.877 6.908 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 73 2.141 7.283 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.578 6.873 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.395 7.401 -4.979 1.00 0.00 H new ATOM 1071 N ILE A 74 0.992 5.128 -2.799 1.00 0.00 N ATOM 1072 CA ILE A 74 0.396 3.836 -2.477 1.00 0.00 C ATOM 1073 C ILE A 74 -0.968 3.701 -3.151 1.00 0.00 C ATOM 1074 O ILE A 74 -1.766 4.638 -3.135 1.00 0.00 O ATOM 1075 CB ILE A 74 0.240 3.662 -0.953 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.601 3.826 -0.269 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.368 2.303 -0.629 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.536 3.809 1.242 1.00 0.00 C ATOM 0 H ILE A 74 0.815 5.855 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 74 1.062 3.057 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.435 4.430 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.263 3.027 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.048 4.766 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.470 2.198 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.350 2.223 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.281 1.514 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.539 3.930 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.902 4.625 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.120 2.859 1.578 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.229 2.544 -3.754 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.497 2.318 -4.444 1.00 0.00 C ATOM 1092 C ILE A 75 -3.131 0.987 -4.040 1.00 0.00 C ATOM 1093 O ILE A 75 -2.448 -0.033 -3.943 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.306 2.333 -5.976 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.586 3.613 -6.419 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.648 2.203 -6.684 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.343 4.887 -6.104 1.00 0.00 C ATOM 0 H ILE A 75 -0.585 1.753 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.161 3.131 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.687 1.479 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.610 3.654 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.408 3.564 -7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.493 2.216 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.122 1.264 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.291 3.036 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.768 5.747 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.309 4.871 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.498 4.962 -5.028 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.444 1.007 -3.815 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.180 -0.195 -3.431 1.00 0.00 C ATOM 1111 C VAL A 76 -6.551 -0.234 -4.104 1.00 0.00 C ATOM 1112 O VAL A 76 -7.391 0.637 -3.878 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.372 -0.277 -1.902 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.163 -1.521 -1.523 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -4.027 -0.259 -1.191 1.00 0.00 C ATOM 0 H VAL A 76 -5.020 1.845 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.586 -1.048 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.940 0.597 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.286 -1.558 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.143 -1.488 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.627 -2.409 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.184 -0.318 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.431 -1.111 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.501 0.665 -1.431 1.00 0.00 H new ATOM 1125 N THR A 77 -6.769 -1.253 -4.932 1.00 0.00 N ATOM 1126 CA THR A 77 -8.034 -1.414 -5.643 1.00 0.00 C ATOM 1127 C THR A 77 -9.059 -2.162 -4.792 1.00 0.00 C ATOM 1128 O THR A 77 -8.703 -3.033 -3.996 1.00 0.00 O ATOM 1129 CB THR A 77 -7.835 -2.165 -6.975 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.853 -1.493 -7.773 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.141 -2.256 -7.750 1.00 0.00 C ATOM 0 H THR A 77 -6.083 -1.982 -5.127 1.00 0.00 H new ATOM 0 HA THR A 77 -8.409 -0.412 -5.851 1.00 0.00 H new ATOM 0 HB THR A 77 -7.495 -3.175 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.730 -1.976 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.973 -2.790 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.881 -2.791 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.506 -1.252 -7.966 1.00 0.00 H new ATOM 1139 N THR A 78 -10.332 -1.816 -4.967 1.00 0.00 N ATOM 1140 CA THR A 78 -11.413 -2.451 -4.219 1.00 0.00 C ATOM 1141 C THR A 78 -12.624 -2.707 -5.113 1.00 0.00 C ATOM 1142 O THR A 78 -12.932 -1.909 -6.000 1.00 0.00 O ATOM 1143 CB THR A 78 -11.847 -1.592 -3.017 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.272 -0.301 -3.466 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.707 -1.438 -2.020 1.00 0.00 C ATOM 0 H THR A 78 -10.640 -1.098 -5.622 1.00 0.00 H new ATOM 0 HA THR A 78 -11.027 -3.403 -3.853 1.00 0.00 H new ATOM 0 HB THR A 78 -12.677 -2.095 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.548 0.239 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.038 -0.827 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.405 -2.421 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.860 -0.956 -2.508 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.302 -3.830 -4.878 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.477 -4.203 -5.665 1.00 0.00 C ATOM 1155 C LYS A 79 -15.516 -3.085 -5.677 1.00 0.00 C ATOM 1156 O LYS A 79 -15.939 -2.631 -6.741 1.00 0.00 O ATOM 1157 CB LYS A 79 -15.105 -5.481 -5.102 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.169 -6.682 -5.104 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.807 -7.120 -6.516 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.025 -7.622 -7.275 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.652 -8.797 -6.607 1.00 0.00 N ATOM 0 H LYS A 79 -13.057 -4.498 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.149 -4.377 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.435 -5.292 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.994 -5.724 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.259 -6.434 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.642 -7.511 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.361 -6.283 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.055 -7.908 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.757 -6.819 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.734 -7.894 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.859 -9.530 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.999 -9.180 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.536 -8.503 -6.145 1.00 0.00 H new ATOM 1175 N SER A 80 -15.927 -2.647 -4.490 1.00 0.00 N ATOM 1176 CA SER A 80 -16.922 -1.586 -4.371 1.00 0.00 C ATOM 1177 C SER A 80 -16.364 -0.255 -4.866 1.00 0.00 C ATOM 1178 O SER A 80 -16.942 0.384 -5.745 1.00 0.00 O ATOM 1179 CB SER A 80 -17.381 -1.449 -2.919 1.00 0.00 C ATOM 1180 OG SER A 80 -18.339 -0.412 -2.784 1.00 0.00 O ATOM 0 H SER A 80 -15.587 -3.009 -3.599 1.00 0.00 H new ATOM 0 HA SER A 80 -17.776 -1.855 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.810 -2.392 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.522 -1.241 -2.281 1.00 0.00 H new ATOM 0 HG SER A 80 -19.117 -0.748 -2.292 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.237 0.156 -4.293 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.616 1.408 -4.684 1.00 0.00 C ATOM 1188 C GLY A 81 -13.868 1.303 -5.998 1.00 0.00 C ATOM 1189 O GLY A 81 -14.412 0.834 -6.998 1.00 0.00 O ATOM 0 H GLY A 81 -14.742 -0.357 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.382 2.179 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.927 1.727 -3.902 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.613 1.741 -5.991 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.795 1.690 -7.189 1.00 0.00 C ATOM 1195 C GLY A 82 -10.322 1.859 -6.878 1.00 0.00 C ATOM 1196 O GLY A 82 -9.820 1.285 -5.911 1.00 0.00 O ATOM 0 H GLY A 82 -12.146 2.132 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.952 0.737 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.112 2.473 -7.878 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.627 2.651 -7.689 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.204 2.886 -7.473 1.00 0.00 C ATOM 1202 C LYS A 83 -7.989 3.630 -6.159 1.00 0.00 C ATOM 1203 O LYS A 83 -8.516 4.724 -5.962 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.610 3.686 -8.635 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.101 3.858 -8.546 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.552 4.654 -9.720 1.00 0.00 C ATOM 1207 CE LYS A 83 -6.083 6.080 -9.727 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.517 6.881 -10.848 1.00 0.00 N ATOM 0 H LYS A 83 -10.022 3.137 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.697 1.922 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.856 3.187 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.078 4.670 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.847 4.363 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.625 2.878 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.463 4.671 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.822 4.160 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.170 6.062 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.841 6.561 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.905 7.845 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.482 6.921 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.769 6.437 -11.754 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.221 3.024 -5.260 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.962 3.639 -3.973 1.00 0.00 C ATOM 1224 C GLY A 84 -5.967 4.779 -4.054 1.00 0.00 C ATOM 1225 O GLY A 84 -4.862 4.611 -4.568 1.00 0.00 O ATOM 0 H GLY A 84 -6.774 2.118 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.899 4.010 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.586 2.883 -3.284 1.00 0.00 H new ATOM 1229 N THR A 85 -6.356 5.937 -3.531 1.00 0.00 N ATOM 1230 CA THR A 85 -5.486 7.107 -3.529 1.00 0.00 C ATOM 1231 C THR A 85 -4.816 7.266 -2.171 1.00 0.00 C ATOM 1232 O THR A 85 -5.417 6.969 -1.139 1.00 0.00 O ATOM 1233 CB THR A 85 -6.260 8.394 -3.865 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.312 8.598 -2.914 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.844 8.324 -5.267 1.00 0.00 C ATOM 0 H THR A 85 -7.269 6.090 -3.103 1.00 0.00 H new ATOM 0 HA THR A 85 -4.731 6.949 -4.299 1.00 0.00 H new ATOM 0 HB THR A 85 -5.564 9.231 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.798 9.420 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.386 9.245 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.039 8.200 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.526 7.477 -5.335 1.00 0.00 H new ATOM 1243 N SER A 86 -3.568 7.718 -2.170 1.00 0.00 N ATOM 1244 CA SER A 86 -2.833 7.891 -0.923 1.00 0.00 C ATOM 1245 C SER A 86 -2.155 9.256 -0.856 1.00 0.00 C ATOM 1246 O SER A 86 -1.403 9.634 -1.755 1.00 0.00 O ATOM 1247 CB SER A 86 -1.785 6.788 -0.780 1.00 0.00 C ATOM 1248 OG SER A 86 -0.858 6.829 -1.849 1.00 0.00 O ATOM 0 H SER A 86 -3.047 7.969 -3.010 1.00 0.00 H new ATOM 0 HA SER A 86 -3.548 7.829 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.258 6.902 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.276 5.815 -0.757 1.00 0.00 H new ATOM 0 HG SER A 86 -1.140 6.205 -2.550 1.00 0.00 H new ATOM 1254 N THR A 87 -2.417 9.983 0.226 1.00 0.00 N ATOM 1255 CA THR A 87 -1.823 11.297 0.428 1.00 0.00 C ATOM 1256 C THR A 87 -0.519 11.182 1.211 1.00 0.00 C ATOM 1257 O THR A 87 -0.190 12.042 2.028 1.00 0.00 O ATOM 1258 CB THR A 87 -2.786 12.236 1.180 1.00 0.00 C ATOM 1259 OG1 THR A 87 -3.083 11.700 2.475 1.00 0.00 O ATOM 1260 CG2 THR A 87 -4.077 12.426 0.397 1.00 0.00 C ATOM 0 H THR A 87 -3.038 9.682 0.977 1.00 0.00 H new ATOM 0 HA THR A 87 -1.620 11.718 -0.557 1.00 0.00 H new ATOM 0 HB THR A 87 -2.300 13.205 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.694 12.304 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.741 13.092 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.851 12.861 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.564 11.461 0.259 1.00 0.00 H new ATOM 1268 N VAL A 88 0.219 10.104 0.951 1.00 0.00 N ATOM 1269 CA VAL A 88 1.492 9.848 1.621 1.00 0.00 C ATOM 1270 C VAL A 88 2.427 9.055 0.715 1.00 0.00 C ATOM 1271 O VAL A 88 1.978 8.360 -0.196 1.00 0.00 O ATOM 1272 CB VAL A 88 1.301 9.069 2.940 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.514 9.889 3.950 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.617 7.735 2.680 1.00 0.00 C ATOM 0 H VAL A 88 -0.047 9.388 0.275 1.00 0.00 H new ATOM 0 HA VAL A 88 1.929 10.820 1.848 1.00 0.00 H new ATOM 0 HB VAL A 88 2.287 8.874 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.394 9.316 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.050 10.813 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.468 10.126 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.491 7.201 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.360 7.909 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.229 7.138 2.003 1.00 0.00 H new ATOM 1284 N SER A 89 3.728 9.166 0.967 1.00 0.00 N ATOM 1285 CA SER A 89 4.719 8.457 0.165 1.00 0.00 C ATOM 1286 C SER A 89 5.823 7.873 1.042 1.00 0.00 C ATOM 1287 O SER A 89 6.342 8.542 1.936 1.00 0.00 O ATOM 1288 CB SER A 89 5.327 9.398 -0.876 1.00 0.00 C ATOM 1289 OG SER A 89 5.985 10.490 -0.257 1.00 0.00 O ATOM 0 H SER A 89 4.119 9.737 1.716 1.00 0.00 H new ATOM 0 HA SER A 89 4.214 7.635 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.034 8.849 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.543 9.769 -1.536 1.00 0.00 H new ATOM 0 HG SER A 89 6.366 11.075 -0.945 1.00 0.00 H new ATOM 1295 N PHE A 90 6.172 6.618 0.776 1.00 0.00 N ATOM 1296 CA PHE A 90 7.212 5.930 1.535 1.00 0.00 C ATOM 1297 C PHE A 90 8.598 6.214 0.962 1.00 0.00 C ATOM 1298 O PHE A 90 8.818 6.090 -0.242 1.00 0.00 O ATOM 1299 CB PHE A 90 6.954 4.420 1.535 1.00 0.00 C ATOM 1300 CG PHE A 90 8.038 3.624 2.206 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.378 3.862 3.528 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.724 2.640 1.511 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.379 3.135 4.143 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.725 1.910 2.121 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.053 2.158 3.438 1.00 0.00 C ATOM 0 H PHE A 90 5.749 6.055 0.038 1.00 0.00 H new ATOM 0 HA PHE A 90 7.181 6.305 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.006 4.222 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.848 4.078 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.854 4.625 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.472 2.442 0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.634 3.331 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.251 1.146 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.836 1.589 3.917 1.00 0.00 H new ATOM 1315 N LYS A 91 9.533 6.577 1.836 1.00 0.00 N ATOM 1316 CA LYS A 91 10.901 6.857 1.416 1.00 0.00 C ATOM 1317 C LYS A 91 11.696 5.559 1.324 1.00 0.00 C ATOM 1318 O LYS A 91 11.766 4.797 2.288 1.00 0.00 O ATOM 1319 CB LYS A 91 11.574 7.820 2.396 1.00 0.00 C ATOM 1320 CG LYS A 91 12.984 8.216 1.989 1.00 0.00 C ATOM 1321 CD LYS A 91 13.604 9.172 2.994 1.00 0.00 C ATOM 1322 CE LYS A 91 15.010 9.581 2.583 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.026 10.265 1.260 1.00 0.00 N ATOM 0 H LYS A 91 9.368 6.684 2.837 1.00 0.00 H new ATOM 0 HA LYS A 91 10.875 7.326 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.964 8.719 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.606 7.358 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.604 7.323 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.962 8.684 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.978 10.060 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.634 8.700 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.431 10.244 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.648 8.698 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.944 10.734 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.878 9.565 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.267 10.975 1.227 1.00 0.00 H new ATOM 1337 N LEU A 92 12.287 5.306 0.161 1.00 0.00 N ATOM 1338 CA LEU A 92 13.065 4.090 -0.046 1.00 0.00 C ATOM 1339 C LEU A 92 14.531 4.291 0.321 1.00 0.00 C ATOM 1340 O LEU A 92 15.182 5.218 -0.161 1.00 0.00 O ATOM 1341 CB LEU A 92 12.953 3.634 -1.501 1.00 0.00 C ATOM 1342 CG LEU A 92 11.533 3.327 -1.978 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.536 2.971 -3.454 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.925 2.199 -1.159 1.00 0.00 C ATOM 0 H LEU A 92 12.243 5.924 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 92 12.656 3.321 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.375 4.408 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.565 2.742 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 92 10.922 4.219 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.518 2.755 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.930 3.809 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.162 2.093 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.915 1.996 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.535 1.302 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.889 2.490 -0.109 1.00 0.00 H new ATOM 1356 N LEU A 93 15.048 3.405 1.167 1.00 0.00 N ATOM 1357 CA LEU A 93 16.442 3.471 1.589 1.00 0.00 C ATOM 1358 C LEU A 93 17.313 2.611 0.680 1.00 0.00 C ATOM 1359 O LEU A 93 16.915 1.515 0.284 1.00 0.00 O ATOM 1360 CB LEU A 93 16.584 3.011 3.042 1.00 0.00 C ATOM 1361 CG LEU A 93 15.775 3.818 4.061 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.039 3.313 5.471 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.102 5.300 3.953 1.00 0.00 C ATOM 0 H LEU A 93 14.521 2.632 1.574 1.00 0.00 H new ATOM 0 HA LEU A 93 16.774 4.507 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.282 1.966 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.637 3.056 3.320 1.00 0.00 H new ATOM 0 HG LEU A 93 14.716 3.685 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.456 3.898 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.751 2.264 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.100 3.414 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.517 5.856 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.164 5.453 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.860 5.654 2.951 1.00 0.00 H new ATOM 1375 N LYS A 94 18.499 3.113 0.349 1.00 0.00 N ATOM 1376 CA LYS A 94 19.415 2.383 -0.520 1.00 0.00 C ATOM 1377 C LYS A 94 19.724 0.999 0.051 1.00 0.00 C ATOM 1378 O LYS A 94 20.128 0.873 1.208 1.00 0.00 O ATOM 1379 CB LYS A 94 20.711 3.175 -0.706 1.00 0.00 C ATOM 1380 CG LYS A 94 20.503 4.562 -1.303 1.00 0.00 C ATOM 1381 CD LYS A 94 19.813 4.500 -2.658 1.00 0.00 C ATOM 1382 CE LYS A 94 20.646 3.743 -3.680 1.00 0.00 C ATOM 1383 NZ LYS A 94 19.959 3.651 -4.999 1.00 0.00 N ATOM 0 H LYS A 94 18.847 4.017 0.668 1.00 0.00 H new ATOM 0 HA LYS A 94 18.934 2.254 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.206 3.276 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.383 2.609 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.906 5.166 -0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.467 5.060 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.842 4.016 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.627 5.512 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.607 4.241 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.853 2.740 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.560 3.128 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.053 3.153 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.784 4.608 -5.367 1.00 0.00 H new ATOM 1397 N PRO A 95 19.533 -0.063 -0.756 1.00 0.00 N ATOM 1398 CA PRO A 95 19.789 -1.445 -0.329 1.00 0.00 C ATOM 1399 C PRO A 95 21.189 -1.642 0.232 1.00 0.00 C ATOM 1400 O PRO A 95 22.165 -1.134 -0.321 1.00 0.00 O ATOM 1401 CB PRO A 95 19.630 -2.250 -1.618 1.00 0.00 C ATOM 1402 CG PRO A 95 18.711 -1.435 -2.457 1.00 0.00 C ATOM 1403 CD PRO A 95 19.044 -0.002 -2.147 1.00 0.00 C ATOM 0 HA PRO A 95 19.115 -1.743 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.590 -2.401 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.215 -3.238 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.853 -1.650 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.669 -1.655 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.803 0.391 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.170 0.643 -2.239 1.00 0.00 H new ATOM 1411 N GLU A 96 21.284 -2.394 1.323 1.00 0.00 N ATOM 1412 CA GLU A 96 22.571 -2.667 1.942 1.00 0.00 C ATOM 1413 C GLU A 96 23.384 -3.602 1.056 1.00 0.00 C ATOM 1414 O GLU A 96 22.981 -4.737 0.799 1.00 0.00 O ATOM 1415 CB GLU A 96 22.376 -3.283 3.331 1.00 0.00 C ATOM 1416 CG GLU A 96 23.649 -3.348 4.165 1.00 0.00 C ATOM 1417 CD GLU A 96 24.695 -4.280 3.583 1.00 0.00 C ATOM 1418 OE1 GLU A 96 24.403 -5.486 3.445 1.00 0.00 O ATOM 1419 OE2 GLU A 96 25.804 -3.802 3.264 1.00 0.00 O ATOM 0 H GLU A 96 20.487 -2.823 1.794 1.00 0.00 H new ATOM 0 HA GLU A 96 23.113 -1.728 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 96 21.629 -2.703 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.977 -4.291 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 96 24.071 -2.347 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 96 23.399 -3.677 5.174 1.00 0.00 H new ATOM 1426 N LYS A 97 24.527 -3.117 0.590 1.00 0.00 N ATOM 1427 CA LYS A 97 25.399 -3.906 -0.272 1.00 0.00 C ATOM 1428 C LYS A 97 26.746 -3.217 -0.457 1.00 0.00 C ATOM 1429 O LYS A 97 26.760 -2.064 -0.938 1.00 0.00 O ATOM 1430 CB LYS A 97 24.734 -4.123 -1.633 1.00 0.00 C ATOM 1431 CG LYS A 97 25.548 -4.987 -2.584 1.00 0.00 C ATOM 1432 CD LYS A 97 25.738 -6.399 -2.046 1.00 0.00 C ATOM 1433 CE LYS A 97 24.408 -7.113 -1.856 1.00 0.00 C ATOM 1434 NZ LYS A 97 23.642 -7.204 -3.130 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.778 -3.835 -0.120 1.00 0.00 O ATOM 0 H LYS A 97 24.873 -2.180 0.794 1.00 0.00 H new ATOM 0 HA LYS A 97 25.568 -4.872 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 97 23.759 -4.586 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.557 -3.154 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.049 -5.031 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.522 -4.527 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.362 -6.969 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 97 26.268 -6.358 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 97 24.586 -8.115 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 97 23.814 -6.583 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.838 -7.852 -3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 23.290 -6.261 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 24.263 -7.563 -3.883 1.00 0.00 H new TER 1449 LYS A 97