USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0425 (180deg=-0.261) USER MOD Single : A 4 TYR OH : rot 30:sc= -1.9 USER MOD Single : A 7 ASN : amide:sc= -0.488! X(o=-0.49!,f=-0.17) USER MOD Single : A 11 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.0082) USER MOD Single : A 13 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.038) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.202 F(o=-0.75,f=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.808 (180deg=0.385) USER MOD Single : A 27 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.5) USER MOD Single : A 32 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.1!) USER MOD Single : A 33 TYR OH : rot 75:sc= -1.8! USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= 1.24 (180deg=-0.0565) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -0.0717 (180deg=-0.646) USER MOD Single : A 57 GLN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : A 59 TYR OH : rot -15:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -158:sc= -1.73 (180deg=-2.57!) USER MOD Single : A 73 ASN : amide:sc= -0.675 K(o=-0.68,f=-3!) USER MOD Single : A 84 ASN : amide:sc= -2.46! C(o=-2.5!,f=-8.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= -2.61! (180deg=-3.04!) USER MOD Single : A 93 SER OG : rot 170:sc= -0.353 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.0558 F(o=-0.83,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.269 -11.531 5.821 1.00 0.00 N ATOM 2 CA MET A 1 -6.891 -12.671 4.938 1.00 0.00 C ATOM 3 C MET A 1 -5.997 -12.177 3.796 1.00 0.00 C ATOM 4 O MET A 1 -4.995 -12.783 3.475 1.00 0.00 O ATOM 5 CB MET A 1 -8.216 -13.206 4.394 1.00 0.00 C ATOM 6 CG MET A 1 -8.920 -14.026 5.476 1.00 0.00 C ATOM 7 SD MET A 1 -10.706 -13.752 5.372 1.00 0.00 S ATOM 8 CE MET A 1 -10.785 -12.342 6.505 1.00 0.00 C ATOM 0 H1 MET A 1 -7.507 -11.889 6.768 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.471 -10.868 5.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.093 -11.039 5.420 1.00 0.00 H new ATOM 0 HA MET A 1 -6.331 -13.441 5.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.852 -12.379 4.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.037 -13.824 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.696 -15.085 5.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.554 -13.739 6.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.817 -12.003 6.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.418 -12.643 7.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.168 -11.531 6.120 1.00 0.00 H new ATOM 20 N ARG A 2 -6.355 -11.083 3.182 1.00 0.00 N ATOM 21 CA ARG A 2 -5.525 -10.551 2.061 1.00 0.00 C ATOM 22 C ARG A 2 -5.083 -9.116 2.362 1.00 0.00 C ATOM 23 O ARG A 2 -5.670 -8.434 3.180 1.00 0.00 O ATOM 24 CB ARG A 2 -6.443 -10.586 0.838 1.00 0.00 C ATOM 25 CG ARG A 2 -6.511 -12.012 0.288 1.00 0.00 C ATOM 26 CD ARG A 2 -5.928 -12.044 -1.126 1.00 0.00 C ATOM 27 NE ARG A 2 -6.992 -12.659 -1.966 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.748 -13.760 -2.623 1.00 0.00 C ATOM 29 NH1 ARG A 2 -5.993 -13.729 -3.685 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.260 -14.889 -2.217 1.00 0.00 N ATOM 0 H ARG A 2 -7.185 -10.534 3.407 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.617 -11.135 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.441 -10.242 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.070 -9.907 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.956 -12.690 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.544 -12.359 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.680 -11.041 -1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.009 -12.629 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.911 -12.220 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.594 -12.845 -4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.801 -14.588 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.851 -14.911 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.069 -15.749 -2.731 1.00 0.00 H new ATOM 44 N ARG A 3 -4.053 -8.652 1.709 1.00 0.00 N ATOM 45 CA ARG A 3 -3.572 -7.262 1.961 1.00 0.00 C ATOM 46 C ARG A 3 -3.649 -6.434 0.674 1.00 0.00 C ATOM 47 O ARG A 3 -3.142 -6.828 -0.357 1.00 0.00 O ATOM 48 CB ARG A 3 -2.113 -7.414 2.403 1.00 0.00 C ATOM 49 CG ARG A 3 -1.983 -8.558 3.413 1.00 0.00 C ATOM 50 CD ARG A 3 -2.528 -8.109 4.770 1.00 0.00 C ATOM 51 NE ARG A 3 -2.698 -9.365 5.550 1.00 0.00 N ATOM 52 CZ ARG A 3 -2.684 -9.332 6.855 1.00 0.00 C ATOM 53 NH1 ARG A 3 -3.770 -9.027 7.510 1.00 0.00 N ATOM 54 NH2 ARG A 3 -1.585 -9.604 7.504 1.00 0.00 N ATOM 0 H ARG A 3 -3.523 -9.175 1.012 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.176 -6.751 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.481 -7.611 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.762 -6.484 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.531 -9.432 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.939 -8.855 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.838 -7.426 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.475 -7.581 4.660 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.826 -10.253 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.629 -8.815 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.760 -9.001 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.736 -9.843 6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.575 -9.578 8.524 1.00 0.00 H new ATOM 68 N TYR A 4 -4.271 -5.285 0.725 1.00 0.00 N ATOM 69 CA TYR A 4 -4.367 -4.438 -0.493 1.00 0.00 C ATOM 70 C TYR A 4 -3.773 -3.061 -0.207 1.00 0.00 C ATOM 71 O TYR A 4 -3.553 -2.693 0.931 1.00 0.00 O ATOM 72 CB TYR A 4 -5.858 -4.324 -0.789 1.00 0.00 C ATOM 73 CG TYR A 4 -6.435 -5.699 -1.030 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.134 -6.386 -2.213 1.00 0.00 C ATOM 75 CD2 TYR A 4 -7.271 -6.288 -0.072 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.669 -7.660 -2.438 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.805 -7.562 -0.299 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.504 -8.248 -1.481 1.00 0.00 C ATOM 79 OH TYR A 4 -8.031 -9.504 -1.703 1.00 0.00 O ATOM 0 H TYR A 4 -4.715 -4.900 1.558 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.822 -4.861 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.369 -3.846 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.018 -3.693 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.489 -5.933 -2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.503 -5.759 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.437 -8.189 -3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.450 -8.016 0.439 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.414 -10.024 -2.259 1.00 0.00 H new ATOM 89 N GLU A 5 -3.512 -2.296 -1.224 1.00 0.00 N ATOM 90 CA GLU A 5 -2.932 -0.945 -1.000 1.00 0.00 C ATOM 91 C GLU A 5 -3.963 0.130 -1.335 1.00 0.00 C ATOM 92 O GLU A 5 -4.639 0.065 -2.342 1.00 0.00 O ATOM 93 CB GLU A 5 -1.740 -0.859 -1.954 1.00 0.00 C ATOM 94 CG GLU A 5 -0.923 -2.149 -1.867 1.00 0.00 C ATOM 95 CD GLU A 5 0.564 -1.825 -2.025 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.885 -1.007 -2.873 1.00 0.00 O ATOM 97 OE2 GLU A 5 1.356 -2.400 -1.297 1.00 0.00 O ATOM 0 H GLU A 5 -3.674 -2.545 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.634 -0.791 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.088 -0.705 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.116 -0.003 -1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.099 -2.639 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.239 -2.845 -2.644 1.00 0.00 H new ATOM 104 N VAL A 6 -4.086 1.122 -0.500 1.00 0.00 N ATOM 105 CA VAL A 6 -5.070 2.203 -0.773 1.00 0.00 C ATOM 106 C VAL A 6 -4.351 3.415 -1.367 1.00 0.00 C ATOM 107 O VAL A 6 -3.623 4.111 -0.688 1.00 0.00 O ATOM 108 CB VAL A 6 -5.670 2.546 0.591 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.584 3.765 0.456 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.484 1.355 1.103 1.00 0.00 C ATOM 0 H VAL A 6 -3.548 1.231 0.359 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.837 1.902 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.868 2.770 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.011 4.009 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.007 4.614 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.386 3.542 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.912 1.598 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.286 1.132 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.834 0.485 1.200 1.00 0.00 H new ATOM 120 N ASN A 7 -4.545 3.669 -2.630 1.00 0.00 N ATOM 121 CA ASN A 7 -3.867 4.833 -3.267 1.00 0.00 C ATOM 122 C ASN A 7 -4.854 5.990 -3.432 1.00 0.00 C ATOM 123 O ASN A 7 -5.613 6.042 -4.380 1.00 0.00 O ATOM 124 CB ASN A 7 -3.404 4.318 -4.631 1.00 0.00 C ATOM 125 CG ASN A 7 -2.853 5.480 -5.457 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.658 5.600 -5.637 1.00 0.00 O ATOM 127 ND2 ASN A 7 -3.681 6.348 -5.971 1.00 0.00 N ATOM 0 H ASN A 7 -5.143 3.122 -3.249 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.036 5.210 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.637 3.555 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.236 3.848 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.324 7.127 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.685 6.247 -5.820 1.00 0.00 H new ATOM 134 N ILE A 8 -4.848 6.920 -2.517 1.00 0.00 N ATOM 135 CA ILE A 8 -5.788 8.073 -2.620 1.00 0.00 C ATOM 136 C ILE A 8 -5.037 9.319 -3.096 1.00 0.00 C ATOM 137 O ILE A 8 -4.079 9.751 -2.487 1.00 0.00 O ATOM 138 CB ILE A 8 -6.323 8.273 -1.203 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.103 7.028 -0.772 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.250 9.488 -1.171 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.400 6.932 -1.579 1.00 0.00 C ATOM 0 H ILE A 8 -4.234 6.932 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.591 7.894 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.488 8.436 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.498 6.135 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.328 7.078 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.630 9.629 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.697 10.376 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.085 9.327 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.955 6.046 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.006 7.820 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.164 6.862 -2.641 1.00 0.00 H new ATOM 153 N VAL A 9 -5.464 9.902 -4.183 1.00 0.00 N ATOM 154 CA VAL A 9 -4.773 11.117 -4.697 1.00 0.00 C ATOM 155 C VAL A 9 -5.714 12.323 -4.647 1.00 0.00 C ATOM 156 O VAL A 9 -6.748 12.343 -5.286 1.00 0.00 O ATOM 157 CB VAL A 9 -4.409 10.781 -6.141 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.687 10.590 -6.959 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.588 11.926 -6.739 1.00 0.00 C ATOM 0 H VAL A 9 -6.261 9.589 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.896 11.376 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.823 9.862 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.427 10.350 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.273 9.775 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.274 11.508 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.328 11.687 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.174 12.845 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.677 12.063 -6.157 1.00 0.00 H new ATOM 169 N LEU A 10 -5.367 13.325 -3.889 1.00 0.00 N ATOM 170 CA LEU A 10 -6.242 14.526 -3.795 1.00 0.00 C ATOM 171 C LEU A 10 -5.441 15.801 -4.032 1.00 0.00 C ATOM 172 O LEU A 10 -4.230 15.818 -3.948 1.00 0.00 O ATOM 173 CB LEU A 10 -6.803 14.520 -2.379 1.00 0.00 C ATOM 174 CG LEU A 10 -5.679 14.284 -1.368 1.00 0.00 C ATOM 175 CD1 LEU A 10 -5.707 15.391 -0.314 1.00 0.00 C ATOM 176 CD2 LEU A 10 -5.882 12.930 -0.687 1.00 0.00 C ATOM 0 H LEU A 10 -4.515 13.364 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.030 14.499 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.296 15.470 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.559 13.741 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.718 14.292 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.907 15.226 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.566 16.358 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.668 15.380 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.082 12.761 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.842 12.923 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.867 12.140 -1.437 1.00 0.00 H new ATOM 188 N ASN A 11 -6.122 16.870 -4.319 1.00 0.00 N ATOM 189 CA ASN A 11 -5.418 18.163 -4.555 1.00 0.00 C ATOM 190 C ASN A 11 -5.225 18.900 -3.228 1.00 0.00 C ATOM 191 O ASN A 11 -5.924 18.642 -2.268 1.00 0.00 O ATOM 192 CB ASN A 11 -6.343 18.955 -5.481 1.00 0.00 C ATOM 193 CG ASN A 11 -5.894 18.775 -6.931 1.00 0.00 C ATOM 194 OD1 ASN A 11 -6.039 19.670 -7.740 1.00 0.00 O ATOM 195 ND2 ASN A 11 -5.349 17.647 -7.299 1.00 0.00 N ATOM 0 H ASN A 11 -7.138 16.908 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.429 18.026 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.371 18.613 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.325 20.011 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.046 17.518 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.227 16.895 -6.621 1.00 0.00 H new ATOM 202 N PRO A 12 -4.278 19.797 -3.221 1.00 0.00 N ATOM 203 CA PRO A 12 -3.985 20.583 -2.004 1.00 0.00 C ATOM 204 C PRO A 12 -4.975 21.740 -1.865 1.00 0.00 C ATOM 205 O PRO A 12 -4.599 22.869 -1.618 1.00 0.00 O ATOM 206 CB PRO A 12 -2.572 21.101 -2.248 1.00 0.00 C ATOM 207 CG PRO A 12 -2.412 21.132 -3.739 1.00 0.00 C ATOM 208 CD PRO A 12 -3.402 20.157 -4.335 1.00 0.00 C ATOM 0 HA PRO A 12 -4.068 20.002 -1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.437 22.093 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.830 20.450 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.590 22.137 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.394 20.861 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.964 20.611 -5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.899 19.281 -4.744 1.00 0.00 H new ATOM 216 N ASN A 13 -6.236 21.463 -2.020 1.00 0.00 N ATOM 217 CA ASN A 13 -7.260 22.541 -1.896 1.00 0.00 C ATOM 218 C ASN A 13 -7.432 22.936 -0.428 1.00 0.00 C ATOM 219 O ASN A 13 -7.199 24.067 -0.048 1.00 0.00 O ATOM 220 CB ASN A 13 -8.551 21.928 -2.442 1.00 0.00 C ATOM 221 CG ASN A 13 -9.533 23.046 -2.798 1.00 0.00 C ATOM 222 OD1 ASN A 13 -10.683 23.008 -2.407 1.00 0.00 O ATOM 223 ND2 ASN A 13 -9.126 24.047 -3.530 1.00 0.00 N ATOM 0 H ASN A 13 -6.606 20.536 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.978 23.444 -2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.335 21.324 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.993 21.263 -1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.773 24.797 -3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.161 24.079 -3.858 1.00 0.00 H new ATOM 230 N LEU A 14 -7.837 22.015 0.401 1.00 0.00 N ATOM 231 CA LEU A 14 -8.021 22.338 1.844 1.00 0.00 C ATOM 232 C LEU A 14 -6.671 22.663 2.487 1.00 0.00 C ATOM 233 O LEU A 14 -5.648 22.128 2.110 1.00 0.00 O ATOM 234 CB LEU A 14 -8.623 21.072 2.458 1.00 0.00 C ATOM 235 CG LEU A 14 -10.103 21.306 2.780 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.781 22.025 1.612 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.788 19.958 3.013 1.00 0.00 C ATOM 0 H LEU A 14 -8.049 21.052 0.142 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.661 23.207 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.519 20.236 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.082 20.804 3.365 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.185 21.921 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.833 22.189 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.293 22.985 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.701 21.414 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.841 20.120 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.702 19.346 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.309 19.446 3.848 1.00 0.00 H new ATOM 249 N ASP A 15 -6.660 23.541 3.453 1.00 0.00 N ATOM 250 CA ASP A 15 -5.372 23.903 4.116 1.00 0.00 C ATOM 251 C ASP A 15 -4.959 22.813 5.109 1.00 0.00 C ATOM 252 O ASP A 15 -5.540 21.747 5.154 1.00 0.00 O ATOM 253 CB ASP A 15 -5.655 25.215 4.845 1.00 0.00 C ATOM 254 CG ASP A 15 -6.840 25.028 5.795 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.951 24.892 5.306 1.00 0.00 O ATOM 256 OD2 ASP A 15 -6.617 25.025 6.993 1.00 0.00 O ATOM 0 H ASP A 15 -7.484 24.023 3.812 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.556 24.003 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.774 25.530 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.874 26.003 4.125 1.00 0.00 H new ATOM 261 N GLN A 16 -3.955 23.072 5.901 1.00 0.00 N ATOM 262 CA GLN A 16 -3.497 22.050 6.887 1.00 0.00 C ATOM 263 C GLN A 16 -4.562 21.827 7.966 1.00 0.00 C ATOM 264 O GLN A 16 -4.909 20.707 8.284 1.00 0.00 O ATOM 265 CB GLN A 16 -2.226 22.636 7.502 1.00 0.00 C ATOM 266 CG GLN A 16 -1.751 21.740 8.649 1.00 0.00 C ATOM 267 CD GLN A 16 -0.787 20.683 8.108 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.348 20.981 7.796 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.197 19.449 7.982 1.00 0.00 N ATOM 0 H GLN A 16 -3.431 23.947 5.909 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.318 21.082 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.447 22.717 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.419 23.644 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.257 22.341 9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.605 21.258 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.151 19.199 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.564 18.735 7.621 1.00 0.00 H new ATOM 278 N SER A 17 -5.079 22.881 8.540 1.00 0.00 N ATOM 279 CA SER A 17 -6.109 22.717 9.600 1.00 0.00 C ATOM 280 C SER A 17 -7.282 21.886 9.076 1.00 0.00 C ATOM 281 O SER A 17 -7.744 20.971 9.727 1.00 0.00 O ATOM 282 CB SER A 17 -6.563 24.136 9.939 1.00 0.00 C ATOM 283 OG SER A 17 -7.927 24.108 10.337 1.00 0.00 O ATOM 0 H SER A 17 -4.831 23.846 8.319 1.00 0.00 H new ATOM 0 HA SER A 17 -5.719 22.196 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.947 24.546 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.438 24.787 9.074 1.00 0.00 H new ATOM 0 HG SER A 17 -8.222 25.016 10.557 1.00 0.00 H new ATOM 289 N GLN A 18 -7.760 22.191 7.902 1.00 0.00 N ATOM 290 CA GLN A 18 -8.898 21.409 7.339 1.00 0.00 C ATOM 291 C GLN A 18 -8.436 19.987 7.016 1.00 0.00 C ATOM 292 O GLN A 18 -9.103 19.020 7.327 1.00 0.00 O ATOM 293 CB GLN A 18 -9.293 22.150 6.063 1.00 0.00 C ATOM 294 CG GLN A 18 -9.954 23.480 6.428 1.00 0.00 C ATOM 295 CD GLN A 18 -11.329 23.213 7.043 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.433 23.040 8.331 1.00 0.00 O flip ATOM 297 NE2 GLN A 18 -12.321 23.161 6.342 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.414 22.945 7.309 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.735 21.326 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.412 22.327 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.978 21.541 5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.329 24.028 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.056 24.104 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.241 23.296 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.233 22.982 6.762 1.00 0.00 H new ATOM 306 N LEU A 19 -7.295 19.854 6.399 1.00 0.00 N ATOM 307 CA LEU A 19 -6.780 18.498 6.060 1.00 0.00 C ATOM 308 C LEU A 19 -6.528 17.697 7.339 1.00 0.00 C ATOM 309 O LEU A 19 -6.721 16.500 7.379 1.00 0.00 O ATOM 310 CB LEU A 19 -5.467 18.746 5.315 1.00 0.00 C ATOM 311 CG LEU A 19 -4.777 17.410 5.037 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.530 17.263 3.534 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.439 17.363 5.779 1.00 0.00 C ATOM 0 H LEU A 19 -6.695 20.628 6.114 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.486 17.926 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.661 19.269 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.815 19.387 5.909 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.414 16.595 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.038 16.310 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.482 17.296 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.894 18.078 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.947 16.411 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.803 18.179 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.613 17.466 6.850 1.00 0.00 H new ATOM 325 N ALA A 20 -6.095 18.346 8.384 1.00 0.00 N ATOM 326 CA ALA A 20 -5.828 17.619 9.652 1.00 0.00 C ATOM 327 C ALA A 20 -7.099 16.919 10.138 1.00 0.00 C ATOM 328 O ALA A 20 -7.056 15.827 10.668 1.00 0.00 O ATOM 329 CB ALA A 20 -5.399 18.699 10.644 1.00 0.00 C ATOM 0 H ALA A 20 -5.915 19.350 8.413 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.067 16.848 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.183 18.241 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.505 19.200 10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.202 19.427 10.759 1.00 0.00 H new ATOM 335 N LEU A 21 -8.228 17.551 9.973 1.00 0.00 N ATOM 336 CA LEU A 21 -9.501 16.939 10.435 1.00 0.00 C ATOM 337 C LEU A 21 -9.823 15.673 9.628 1.00 0.00 C ATOM 338 O LEU A 21 -10.416 14.740 10.132 1.00 0.00 O ATOM 339 CB LEU A 21 -10.559 18.031 10.220 1.00 0.00 C ATOM 340 CG LEU A 21 -11.167 17.933 8.816 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.348 16.962 8.839 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.655 19.315 8.378 1.00 0.00 C ATOM 0 H LEU A 21 -8.322 18.468 9.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.456 16.621 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.345 17.934 10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.107 19.013 10.357 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.413 17.572 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.781 16.892 7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.003 15.977 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.103 17.324 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.088 19.249 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.410 19.673 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.815 20.010 8.364 1.00 0.00 H new ATOM 354 N GLU A 22 -9.443 15.639 8.381 1.00 0.00 N ATOM 355 CA GLU A 22 -9.736 14.437 7.545 1.00 0.00 C ATOM 356 C GLU A 22 -9.124 13.180 8.175 1.00 0.00 C ATOM 357 O GLU A 22 -9.587 12.078 7.963 1.00 0.00 O ATOM 358 CB GLU A 22 -9.100 14.736 6.181 1.00 0.00 C ATOM 359 CG GLU A 22 -7.605 14.405 6.215 1.00 0.00 C ATOM 360 CD GLU A 22 -7.382 12.991 5.674 1.00 0.00 C ATOM 361 OE1 GLU A 22 -7.410 12.063 6.466 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.186 12.859 4.477 1.00 0.00 O ATOM 0 H GLU A 22 -8.943 16.389 7.904 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.806 14.246 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.593 14.150 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.242 15.786 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.048 15.126 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.229 14.479 7.235 1.00 0.00 H new ATOM 369 N LYS A 23 -8.085 13.338 8.946 1.00 0.00 N ATOM 370 CA LYS A 23 -7.448 12.157 9.591 1.00 0.00 C ATOM 371 C LYS A 23 -8.385 11.592 10.664 1.00 0.00 C ATOM 372 O LYS A 23 -8.578 10.398 10.776 1.00 0.00 O ATOM 373 CB LYS A 23 -6.144 12.724 10.180 1.00 0.00 C ATOM 374 CG LYS A 23 -5.968 12.332 11.652 1.00 0.00 C ATOM 375 CD LYS A 23 -6.652 13.384 12.522 1.00 0.00 C ATOM 376 CE LYS A 23 -5.604 14.096 13.381 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.882 14.995 12.438 1.00 0.00 N ATOM 0 H LYS A 23 -7.649 14.235 9.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.247 11.328 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.295 12.359 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.147 13.810 10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.402 11.349 11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.909 12.265 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.175 14.106 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.401 12.913 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.072 14.662 14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.924 13.383 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.442 15.773 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.145 14.456 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.554 15.384 11.746 1.00 0.00 H new ATOM 391 N GLU A 24 -8.951 12.453 11.459 1.00 0.00 N ATOM 392 CA GLU A 24 -9.866 11.989 12.544 1.00 0.00 C ATOM 393 C GLU A 24 -11.168 11.418 11.966 1.00 0.00 C ATOM 394 O GLU A 24 -11.705 10.453 12.472 1.00 0.00 O ATOM 395 CB GLU A 24 -10.153 13.237 13.378 1.00 0.00 C ATOM 396 CG GLU A 24 -10.006 12.901 14.864 1.00 0.00 C ATOM 397 CD GLU A 24 -11.177 13.505 15.642 1.00 0.00 C ATOM 398 OE1 GLU A 24 -11.688 14.525 15.208 1.00 0.00 O ATOM 399 OE2 GLU A 24 -11.543 12.937 16.657 1.00 0.00 O ATOM 0 H GLU A 24 -8.821 13.463 11.407 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.418 11.190 13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.464 14.037 13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.160 13.600 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.982 11.820 15.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.062 13.292 15.245 1.00 0.00 H new ATOM 406 N ILE A 25 -11.688 12.001 10.919 1.00 0.00 N ATOM 407 CA ILE A 25 -12.959 11.474 10.337 1.00 0.00 C ATOM 408 C ILE A 25 -12.697 10.187 9.556 1.00 0.00 C ATOM 409 O ILE A 25 -13.469 9.250 9.602 1.00 0.00 O ATOM 410 CB ILE A 25 -13.485 12.582 9.420 1.00 0.00 C ATOM 411 CG1 ILE A 25 -12.499 12.862 8.282 1.00 0.00 C ATOM 412 CG2 ILE A 25 -13.664 13.855 10.235 1.00 0.00 C ATOM 413 CD1 ILE A 25 -12.908 12.070 7.037 1.00 0.00 C ATOM 0 H ILE A 25 -11.293 12.813 10.444 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.686 11.223 11.109 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.434 12.259 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.482 13.928 8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.490 12.584 8.586 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.038 14.650 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.377 13.675 11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.705 14.153 10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.204 12.272 6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.902 11.004 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.910 12.369 6.728 1.00 0.00 H new ATOM 425 N ILE A 26 -11.613 10.134 8.841 1.00 0.00 N ATOM 426 CA ILE A 26 -11.295 8.905 8.057 1.00 0.00 C ATOM 427 C ILE A 26 -11.114 7.719 9.007 1.00 0.00 C ATOM 428 O ILE A 26 -11.640 6.646 8.785 1.00 0.00 O ATOM 429 CB ILE A 26 -9.988 9.220 7.327 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.291 10.087 6.102 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.320 7.919 6.874 1.00 0.00 C ATOM 432 CD1 ILE A 26 -11.163 9.300 5.122 1.00 0.00 C ATOM 0 H ILE A 26 -10.930 10.888 8.763 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.088 8.639 7.358 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.317 9.753 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.802 11.000 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.362 10.388 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.390 8.149 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.106 7.298 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.988 7.382 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.379 9.917 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.635 8.400 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.097 9.021 5.609 1.00 0.00 H new ATOM 444 N GLN A 27 -10.379 7.907 10.068 1.00 0.00 N ATOM 445 CA GLN A 27 -10.172 6.794 11.034 1.00 0.00 C ATOM 446 C GLN A 27 -11.521 6.315 11.573 1.00 0.00 C ATOM 447 O GLN A 27 -11.755 5.134 11.729 1.00 0.00 O ATOM 448 CB GLN A 27 -9.329 7.399 12.158 1.00 0.00 C ATOM 449 CG GLN A 27 -7.905 6.845 12.082 1.00 0.00 C ATOM 450 CD GLN A 27 -6.904 7.992 12.229 1.00 0.00 C ATOM 451 OE1 GLN A 27 -7.186 8.980 12.878 1.00 0.00 O ATOM 452 NE2 GLN A 27 -5.738 7.901 11.651 1.00 0.00 N ATOM 0 H GLN A 27 -9.914 8.783 10.307 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.684 5.932 10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.313 8.485 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.771 7.163 13.126 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.748 6.108 12.869 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.752 6.334 11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.502 7.071 11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.062 8.659 11.744 1.00 0.00 H new ATOM 461 N ARG A 28 -12.406 7.226 11.861 1.00 0.00 N ATOM 462 CA ARG A 28 -13.739 6.831 12.397 1.00 0.00 C ATOM 463 C ARG A 28 -14.609 6.200 11.302 1.00 0.00 C ATOM 464 O ARG A 28 -15.270 5.205 11.525 1.00 0.00 O ATOM 465 CB ARG A 28 -14.369 8.134 12.890 1.00 0.00 C ATOM 466 CG ARG A 28 -13.738 8.534 14.225 1.00 0.00 C ATOM 467 CD ARG A 28 -14.803 8.507 15.322 1.00 0.00 C ATOM 468 NE ARG A 28 -15.146 7.067 15.488 1.00 0.00 N ATOM 469 CZ ARG A 28 -16.126 6.716 16.274 1.00 0.00 C ATOM 470 NH1 ARG A 28 -17.352 6.718 15.829 1.00 0.00 N ATOM 471 NH2 ARG A 28 -15.880 6.364 17.506 1.00 0.00 N ATOM 0 H ARG A 28 -12.264 8.230 11.748 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.650 6.087 13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.219 8.924 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.445 8.008 13.008 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.926 7.851 14.475 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.304 9.531 14.150 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.424 8.932 16.251 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.678 9.091 15.038 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.614 6.355 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.545 6.994 14.866 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.118 6.443 16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.921 6.363 17.854 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.646 6.090 18.121 1.00 0.00 H new ATOM 485 N ALA A 29 -14.635 6.775 10.128 1.00 0.00 N ATOM 486 CA ALA A 29 -15.484 6.207 9.051 1.00 0.00 C ATOM 487 C ALA A 29 -14.905 4.896 8.533 1.00 0.00 C ATOM 488 O ALA A 29 -15.603 3.907 8.430 1.00 0.00 O ATOM 489 CB ALA A 29 -15.505 7.267 7.949 1.00 0.00 C ATOM 0 H ALA A 29 -14.106 7.609 9.873 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.487 5.976 9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.116 6.915 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.926 8.192 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.488 7.450 7.601 1.00 0.00 H new ATOM 495 N LEU A 30 -13.638 4.848 8.231 1.00 0.00 N ATOM 496 CA LEU A 30 -13.082 3.558 7.761 1.00 0.00 C ATOM 497 C LEU A 30 -13.349 2.542 8.864 1.00 0.00 C ATOM 498 O LEU A 30 -13.599 1.379 8.620 1.00 0.00 O ATOM 499 CB LEU A 30 -11.587 3.794 7.544 1.00 0.00 C ATOM 500 CG LEU A 30 -10.881 3.943 8.888 1.00 0.00 C ATOM 501 CD1 LEU A 30 -10.622 2.562 9.484 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.549 4.659 8.678 1.00 0.00 C ATOM 0 H LEU A 30 -12.981 5.626 8.288 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.522 3.189 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.156 2.961 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.436 4.691 6.943 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.508 4.520 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.118 2.669 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.570 2.044 9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.993 1.985 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.040 4.768 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.926 4.076 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.729 5.644 8.248 1.00 0.00 H new ATOM 514 N GLU A 31 -13.332 3.004 10.088 1.00 0.00 N ATOM 515 CA GLU A 31 -13.620 2.113 11.232 1.00 0.00 C ATOM 516 C GLU A 31 -15.085 1.676 11.169 1.00 0.00 C ATOM 517 O GLU A 31 -15.427 0.567 11.528 1.00 0.00 O ATOM 518 CB GLU A 31 -13.370 2.959 12.482 1.00 0.00 C ATOM 519 CG GLU A 31 -11.901 2.850 12.895 1.00 0.00 C ATOM 520 CD GLU A 31 -11.590 1.414 13.322 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.770 1.112 14.491 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.177 0.642 12.474 1.00 0.00 O ATOM 0 H GLU A 31 -13.128 3.972 10.338 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.002 1.215 11.230 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.626 4.000 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.012 2.621 13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.257 3.140 12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.692 3.537 13.715 1.00 0.00 H new ATOM 529 N ASN A 32 -15.960 2.541 10.707 1.00 0.00 N ATOM 530 CA ASN A 32 -17.389 2.160 10.622 1.00 0.00 C ATOM 531 C ASN A 32 -17.517 0.880 9.802 1.00 0.00 C ATOM 532 O ASN A 32 -18.310 0.009 10.100 1.00 0.00 O ATOM 533 CB ASN A 32 -18.065 3.329 9.907 1.00 0.00 C ATOM 534 CG ASN A 32 -19.567 3.312 10.197 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.149 2.263 10.390 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.224 4.440 10.238 1.00 0.00 N ATOM 0 H ASN A 32 -15.739 3.485 10.390 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.840 1.972 11.596 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.631 4.272 10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.891 3.260 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.225 4.440 10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.736 5.321 10.076 1.00 0.00 H new ATOM 543 N TYR A 33 -16.732 0.763 8.768 1.00 0.00 N ATOM 544 CA TYR A 33 -16.779 -0.434 7.919 1.00 0.00 C ATOM 545 C TYR A 33 -16.093 -1.613 8.616 1.00 0.00 C ATOM 546 O TYR A 33 -16.033 -2.708 8.093 1.00 0.00 O ATOM 547 CB TYR A 33 -16.005 -0.005 6.685 1.00 0.00 C ATOM 548 CG TYR A 33 -16.819 -0.304 5.459 1.00 0.00 C ATOM 549 CD1 TYR A 33 -17.945 0.472 5.180 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.459 -1.353 4.608 1.00 0.00 C ATOM 551 CE1 TYR A 33 -18.715 0.205 4.047 1.00 0.00 C ATOM 552 CE2 TYR A 33 -17.228 -1.623 3.471 1.00 0.00 C ATOM 553 CZ TYR A 33 -18.358 -0.843 3.190 1.00 0.00 C ATOM 554 OH TYR A 33 -19.119 -1.110 2.070 1.00 0.00 O ATOM 0 H TYR A 33 -16.051 1.466 8.480 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.791 -0.770 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.780 1.060 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.051 -0.530 6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -18.221 1.280 5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.589 -1.954 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -19.586 0.806 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.951 -2.431 2.811 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.937 -0.435 1.383 1.00 0.00 H new ATOM 564 N GLY A 34 -15.576 -1.394 9.794 1.00 0.00 N ATOM 565 CA GLY A 34 -14.898 -2.492 10.528 1.00 0.00 C ATOM 566 C GLY A 34 -13.532 -2.774 9.896 1.00 0.00 C ATOM 567 O GLY A 34 -13.018 -3.871 9.974 1.00 0.00 O ATOM 0 H GLY A 34 -15.596 -0.497 10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.774 -2.219 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.513 -3.392 10.503 1.00 0.00 H new ATOM 571 N ALA A 35 -12.938 -1.791 9.274 1.00 0.00 N ATOM 572 CA ALA A 35 -11.603 -2.007 8.644 1.00 0.00 C ATOM 573 C ALA A 35 -10.493 -1.552 9.596 1.00 0.00 C ATOM 574 O ALA A 35 -10.548 -0.476 10.156 1.00 0.00 O ATOM 575 CB ALA A 35 -11.615 -1.142 7.382 1.00 0.00 C ATOM 0 H ALA A 35 -13.318 -0.850 9.175 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.418 -3.057 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.664 -1.246 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.425 -1.464 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.765 -0.098 7.658 1.00 0.00 H new ATOM 581 N ARG A 36 -9.489 -2.364 9.789 1.00 0.00 N ATOM 582 CA ARG A 36 -8.384 -1.974 10.710 1.00 0.00 C ATOM 583 C ARG A 36 -7.095 -1.738 9.922 1.00 0.00 C ATOM 584 O ARG A 36 -6.768 -2.466 9.006 1.00 0.00 O ATOM 585 CB ARG A 36 -8.195 -3.149 11.666 1.00 0.00 C ATOM 586 CG ARG A 36 -9.537 -3.837 11.947 1.00 0.00 C ATOM 587 CD ARG A 36 -9.426 -4.679 13.222 1.00 0.00 C ATOM 588 NE ARG A 36 -9.939 -6.024 12.840 1.00 0.00 N ATOM 589 CZ ARG A 36 -9.999 -6.980 13.730 1.00 0.00 C ATOM 590 NH1 ARG A 36 -9.865 -6.704 14.998 1.00 0.00 N ATOM 591 NH2 ARG A 36 -10.195 -8.213 13.348 1.00 0.00 N ATOM 0 H ARG A 36 -9.386 -3.279 9.350 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.621 -1.053 11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.496 -3.866 11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.757 -2.798 12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.323 -3.091 12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.816 -4.470 11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.395 -4.734 13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.014 -4.248 14.032 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.244 -6.200 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.713 -5.741 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.912 -7.451 15.690 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.301 -8.429 12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.242 -8.960 14.041 1.00 0.00 H new ATOM 605 N VAL A 37 -6.363 -0.727 10.281 1.00 0.00 N ATOM 606 CA VAL A 37 -5.084 -0.428 9.571 1.00 0.00 C ATOM 607 C VAL A 37 -3.946 -1.241 10.188 1.00 0.00 C ATOM 608 O VAL A 37 -3.641 -1.108 11.357 1.00 0.00 O ATOM 609 CB VAL A 37 -4.849 1.068 9.786 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.565 1.334 11.265 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.648 1.519 8.952 1.00 0.00 C ATOM 0 H VAL A 37 -6.593 -0.087 11.041 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.127 -0.683 8.512 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.737 1.622 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.398 2.400 11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.417 1.011 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.677 0.780 11.570 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.479 2.585 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.762 0.964 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.846 1.330 7.897 1.00 0.00 H new ATOM 621 N GLU A 38 -3.319 -2.085 9.418 1.00 0.00 N ATOM 622 CA GLU A 38 -2.207 -2.906 9.975 1.00 0.00 C ATOM 623 C GLU A 38 -0.894 -2.117 9.964 1.00 0.00 C ATOM 624 O GLU A 38 0.028 -2.441 10.681 1.00 0.00 O ATOM 625 CB GLU A 38 -2.111 -4.124 9.058 1.00 0.00 C ATOM 626 CG GLU A 38 -2.363 -5.395 9.873 1.00 0.00 C ATOM 627 CD GLU A 38 -2.924 -6.487 8.960 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.714 -6.156 8.091 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.553 -7.634 9.144 1.00 0.00 O ATOM 0 H GLU A 38 -3.526 -2.242 8.432 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.391 -3.190 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.841 -4.045 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.126 -4.166 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.435 -5.733 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.064 -5.188 10.682 1.00 0.00 H new ATOM 636 N LYS A 39 -0.804 -1.090 9.157 1.00 0.00 N ATOM 637 CA LYS A 39 0.448 -0.280 9.100 1.00 0.00 C ATOM 638 C LYS A 39 0.297 0.886 8.118 1.00 0.00 C ATOM 639 O LYS A 39 -0.504 0.848 7.205 1.00 0.00 O ATOM 640 CB LYS A 39 1.526 -1.249 8.612 1.00 0.00 C ATOM 641 CG LYS A 39 2.837 -0.977 9.350 1.00 0.00 C ATOM 642 CD LYS A 39 2.583 -1.000 10.856 1.00 0.00 C ATOM 643 CE LYS A 39 3.378 -2.141 11.494 1.00 0.00 C ATOM 644 NZ LYS A 39 2.523 -3.348 11.327 1.00 0.00 N ATOM 0 H LYS A 39 -1.548 -0.778 8.533 1.00 0.00 H new ATOM 0 HA LYS A 39 0.692 0.156 10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.208 -2.278 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.672 -1.135 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.580 -1.728 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.241 -0.009 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.875 -0.048 11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.519 -1.130 11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.343 -2.271 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.578 -1.942 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.264 -3.722 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.660 -3.093 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.046 -4.074 10.797 1.00 0.00 H new ATOM 658 N VAL A 40 1.082 1.915 8.292 1.00 0.00 N ATOM 659 CA VAL A 40 1.013 3.083 7.366 1.00 0.00 C ATOM 660 C VAL A 40 2.421 3.412 6.859 1.00 0.00 C ATOM 661 O VAL A 40 3.370 3.431 7.619 1.00 0.00 O ATOM 662 CB VAL A 40 0.457 4.233 8.207 1.00 0.00 C ATOM 663 CG1 VAL A 40 1.254 4.350 9.507 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.573 5.539 7.420 1.00 0.00 C ATOM 0 H VAL A 40 1.771 1.997 9.039 1.00 0.00 H new ATOM 0 HA VAL A 40 0.388 2.892 6.494 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.590 4.038 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.856 5.170 10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.173 3.419 10.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.301 4.544 9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.177 6.360 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.620 5.732 7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.004 5.457 6.494 1.00 0.00 H new ATOM 674 N GLU A 41 2.575 3.658 5.587 1.00 0.00 N ATOM 675 CA GLU A 41 3.934 3.967 5.055 1.00 0.00 C ATOM 676 C GLU A 41 4.115 5.474 4.874 1.00 0.00 C ATOM 677 O GLU A 41 3.227 6.168 4.422 1.00 0.00 O ATOM 678 CB GLU A 41 4.009 3.250 3.710 1.00 0.00 C ATOM 679 CG GLU A 41 5.472 2.951 3.372 1.00 0.00 C ATOM 680 CD GLU A 41 5.774 3.405 1.942 1.00 0.00 C ATOM 681 OE1 GLU A 41 4.898 3.989 1.326 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.879 3.159 1.487 1.00 0.00 O ATOM 0 H GLU A 41 1.825 3.659 4.896 1.00 0.00 H new ATOM 0 HA GLU A 41 4.720 3.640 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.437 2.323 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.564 3.868 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.130 3.464 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.668 1.884 3.474 1.00 0.00 H new ATOM 689 N GLU A 42 5.263 5.983 5.227 1.00 0.00 N ATOM 690 CA GLU A 42 5.509 7.444 5.078 1.00 0.00 C ATOM 691 C GLU A 42 5.863 7.763 3.626 1.00 0.00 C ATOM 692 O GLU A 42 6.866 7.318 3.102 1.00 0.00 O ATOM 693 CB GLU A 42 6.692 7.743 5.997 1.00 0.00 C ATOM 694 CG GLU A 42 7.852 6.805 5.659 1.00 0.00 C ATOM 695 CD GLU A 42 9.040 7.623 5.150 1.00 0.00 C ATOM 696 OE1 GLU A 42 9.192 8.748 5.595 1.00 0.00 O ATOM 697 OE2 GLU A 42 9.776 7.111 4.323 1.00 0.00 O ATOM 0 H GLU A 42 6.042 5.449 5.613 1.00 0.00 H new ATOM 0 HA GLU A 42 4.636 8.043 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.004 8.781 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.398 7.614 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.141 6.235 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.542 6.085 4.902 1.00 0.00 H new ATOM 704 N LEU A 43 5.033 8.525 2.975 1.00 0.00 N ATOM 705 CA LEU A 43 5.296 8.877 1.550 1.00 0.00 C ATOM 706 C LEU A 43 6.204 10.114 1.461 1.00 0.00 C ATOM 707 O LEU A 43 7.389 10.038 1.717 1.00 0.00 O ATOM 708 CB LEU A 43 3.911 9.150 0.941 1.00 0.00 C ATOM 709 CG LEU A 43 3.086 10.035 1.883 1.00 0.00 C ATOM 710 CD1 LEU A 43 2.366 11.116 1.077 1.00 0.00 C ATOM 711 CD2 LEU A 43 2.056 9.175 2.620 1.00 0.00 C ATOM 0 H LEU A 43 4.180 8.922 3.368 1.00 0.00 H new ATOM 0 HA LEU A 43 5.815 8.081 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.021 9.639 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.391 8.209 0.765 1.00 0.00 H new ATOM 0 HG LEU A 43 3.750 10.508 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.781 11.743 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.100 11.730 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.703 10.647 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.469 9.804 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.394 8.700 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.570 8.408 3.200 1.00 0.00 H new ATOM 723 N GLY A 44 5.665 11.247 1.099 1.00 0.00 N ATOM 724 CA GLY A 44 6.500 12.476 0.993 1.00 0.00 C ATOM 725 C GLY A 44 5.643 13.611 0.431 1.00 0.00 C ATOM 726 O GLY A 44 4.792 13.399 -0.410 1.00 0.00 O ATOM 0 H GLY A 44 4.679 11.374 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.893 12.750 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.357 12.294 0.345 1.00 0.00 H new ATOM 730 N LEU A 45 5.851 14.812 0.894 1.00 0.00 N ATOM 731 CA LEU A 45 5.036 15.956 0.390 1.00 0.00 C ATOM 732 C LEU A 45 5.174 16.091 -1.131 1.00 0.00 C ATOM 733 O LEU A 45 5.443 15.131 -1.828 1.00 0.00 O ATOM 734 CB LEU A 45 5.606 17.188 1.094 1.00 0.00 C ATOM 735 CG LEU A 45 4.506 17.864 1.914 1.00 0.00 C ATOM 736 CD1 LEU A 45 5.137 18.634 3.076 1.00 0.00 C ATOM 737 CD2 LEU A 45 3.730 18.836 1.024 1.00 0.00 C ATOM 0 H LEU A 45 6.549 15.052 1.598 1.00 0.00 H new ATOM 0 HA LEU A 45 3.974 15.822 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.432 16.899 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.007 17.886 0.359 1.00 0.00 H new ATOM 0 HG LEU A 45 3.827 17.106 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.354 19.116 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.692 17.944 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.816 19.392 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.946 19.318 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.409 19.594 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.281 18.290 0.194 1.00 0.00 H new ATOM 749 N ARG A 46 4.980 17.274 -1.649 1.00 0.00 N ATOM 750 CA ARG A 46 5.087 17.474 -3.126 1.00 0.00 C ATOM 751 C ARG A 46 6.549 17.683 -3.540 1.00 0.00 C ATOM 752 O ARG A 46 6.953 18.768 -3.905 1.00 0.00 O ATOM 753 CB ARG A 46 4.261 18.728 -3.413 1.00 0.00 C ATOM 754 CG ARG A 46 2.975 18.333 -4.146 1.00 0.00 C ATOM 755 CD ARG A 46 2.013 19.523 -4.174 1.00 0.00 C ATOM 756 NE ARG A 46 2.218 20.150 -5.510 1.00 0.00 N ATOM 757 CZ ARG A 46 1.189 20.439 -6.261 1.00 0.00 C ATOM 758 NH1 ARG A 46 0.344 21.359 -5.883 1.00 0.00 N ATOM 759 NH2 ARG A 46 1.007 19.807 -7.389 1.00 0.00 N ATOM 0 H ARG A 46 4.752 18.112 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 46 4.728 16.609 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.019 19.239 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.838 19.426 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.207 18.016 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.506 17.485 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.980 19.199 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.231 20.226 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 46 3.162 20.354 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.487 21.852 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.460 21.585 -6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.668 19.088 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.204 20.032 -7.976 1.00 0.00 H new ATOM 773 N ARG A 47 7.336 16.643 -3.490 1.00 0.00 N ATOM 774 CA ARG A 47 8.775 16.748 -3.883 1.00 0.00 C ATOM 775 C ARG A 47 9.495 15.466 -3.472 1.00 0.00 C ATOM 776 O ARG A 47 10.485 15.494 -2.769 1.00 0.00 O ATOM 777 CB ARG A 47 9.335 17.939 -3.100 1.00 0.00 C ATOM 778 CG ARG A 47 8.884 17.852 -1.640 1.00 0.00 C ATOM 779 CD ARG A 47 10.098 18.021 -0.723 1.00 0.00 C ATOM 780 NE ARG A 47 10.405 16.649 -0.231 1.00 0.00 N ATOM 781 CZ ARG A 47 10.573 16.437 1.046 1.00 0.00 C ATOM 782 NH1 ARG A 47 11.737 16.651 1.593 1.00 0.00 N ATOM 783 NH2 ARG A 47 9.580 16.010 1.775 1.00 0.00 N ATOM 0 H ARG A 47 7.042 15.713 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 47 8.904 16.884 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.424 17.944 -3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.989 18.873 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.145 18.625 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.404 16.892 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.944 18.445 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.877 18.696 0.104 1.00 0.00 H new ATOM 0 HE ARG A 47 10.484 15.876 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.515 16.984 1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.870 16.486 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.669 15.841 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.714 15.845 2.773 1.00 0.00 H new ATOM 797 N LEU A 48 8.991 14.339 -3.890 1.00 0.00 N ATOM 798 CA LEU A 48 9.635 13.049 -3.501 1.00 0.00 C ATOM 799 C LEU A 48 10.756 12.675 -4.465 1.00 0.00 C ATOM 800 O LEU A 48 10.965 11.521 -4.781 1.00 0.00 O ATOM 801 CB LEU A 48 8.515 12.020 -3.545 1.00 0.00 C ATOM 802 CG LEU A 48 8.191 11.553 -2.126 1.00 0.00 C ATOM 803 CD1 LEU A 48 6.910 10.718 -2.145 1.00 0.00 C ATOM 804 CD2 LEU A 48 9.346 10.703 -1.591 1.00 0.00 C ATOM 0 H LEU A 48 8.165 14.253 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 48 10.097 13.111 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.628 12.453 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.812 11.170 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 48 8.050 12.421 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.678 10.384 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.087 11.323 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.051 9.850 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.115 10.370 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.488 9.835 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.259 11.298 -1.577 1.00 0.00 H new ATOM 816 N ALA A 49 11.484 13.641 -4.916 1.00 0.00 N ATOM 817 CA ALA A 49 12.613 13.356 -5.848 1.00 0.00 C ATOM 818 C ALA A 49 13.891 13.129 -5.039 1.00 0.00 C ATOM 819 O ALA A 49 14.069 13.710 -3.987 1.00 0.00 O ATOM 820 CB ALA A 49 12.740 14.605 -6.721 1.00 0.00 C ATOM 0 H ALA A 49 11.352 14.625 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 49 12.445 12.465 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.553 14.469 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.807 14.768 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.950 15.469 -6.091 1.00 0.00 H new ATOM 826 N TYR A 50 14.783 12.293 -5.509 1.00 0.00 N ATOM 827 CA TYR A 50 16.035 12.056 -4.738 1.00 0.00 C ATOM 828 C TYR A 50 16.575 13.404 -4.237 1.00 0.00 C ATOM 829 O TYR A 50 16.558 13.665 -3.050 1.00 0.00 O ATOM 830 CB TYR A 50 16.997 11.364 -5.714 1.00 0.00 C ATOM 831 CG TYR A 50 18.423 11.564 -5.261 1.00 0.00 C ATOM 832 CD1 TYR A 50 18.721 11.618 -3.894 1.00 0.00 C ATOM 833 CD2 TYR A 50 19.450 11.686 -6.206 1.00 0.00 C ATOM 834 CE1 TYR A 50 20.044 11.797 -3.473 1.00 0.00 C ATOM 835 CE2 TYR A 50 20.773 11.863 -5.784 1.00 0.00 C ATOM 836 CZ TYR A 50 21.070 11.919 -4.417 1.00 0.00 C ATOM 837 OH TYR A 50 22.375 12.092 -4.000 1.00 0.00 O ATOM 0 H TYR A 50 14.698 11.772 -6.382 1.00 0.00 H new ATOM 0 HA TYR A 50 15.888 11.432 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 50 16.770 10.299 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 50 16.865 11.770 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 50 17.930 11.522 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 50 19.221 11.643 -7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.273 11.841 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 50 21.564 11.956 -6.513 1.00 0.00 H new ATOM 0 HH TYR A 50 22.962 12.158 -4.782 1.00 0.00 H new ATOM 847 N PRO A 51 16.997 14.238 -5.153 1.00 0.00 N ATOM 848 CA PRO A 51 17.489 15.584 -4.775 1.00 0.00 C ATOM 849 C PRO A 51 16.310 16.416 -4.262 1.00 0.00 C ATOM 850 O PRO A 51 15.247 16.411 -4.850 1.00 0.00 O ATOM 851 CB PRO A 51 18.043 16.147 -6.083 1.00 0.00 C ATOM 852 CG PRO A 51 17.314 15.401 -7.153 1.00 0.00 C ATOM 853 CD PRO A 51 17.046 14.026 -6.604 1.00 0.00 C ATOM 0 HA PRO A 51 18.241 15.580 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.868 17.220 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 51 19.120 15.994 -6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 16.382 15.904 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.910 15.346 -8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.108 13.619 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.832 13.324 -6.880 1.00 0.00 H new ATOM 861 N ILE A 52 16.467 17.123 -3.180 1.00 0.00 N ATOM 862 CA ILE A 52 15.319 17.928 -2.671 1.00 0.00 C ATOM 863 C ILE A 52 14.934 19.000 -3.691 1.00 0.00 C ATOM 864 O ILE A 52 15.616 19.208 -4.676 1.00 0.00 O ATOM 865 CB ILE A 52 15.799 18.567 -1.371 1.00 0.00 C ATOM 866 CG1 ILE A 52 16.484 17.507 -0.504 1.00 0.00 C ATOM 867 CG2 ILE A 52 14.590 19.130 -0.625 1.00 0.00 C ATOM 868 CD1 ILE A 52 17.960 17.866 -0.327 1.00 0.00 C ATOM 0 H ILE A 52 17.325 17.180 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 52 14.435 17.312 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 52 16.507 19.366 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 15.995 17.446 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 52 16.391 16.526 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.919 19.590 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 52 14.096 19.879 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.891 18.324 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 52 18.447 17.111 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.445 17.905 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 52 18.042 18.839 0.158 1.00 0.00 H new ATOM 880 N ALA A 53 13.839 19.678 -3.468 1.00 0.00 N ATOM 881 CA ALA A 53 13.402 20.732 -4.429 1.00 0.00 C ATOM 882 C ALA A 53 12.939 20.080 -5.736 1.00 0.00 C ATOM 883 O ALA A 53 12.260 19.073 -5.728 1.00 0.00 O ATOM 884 CB ALA A 53 14.639 21.604 -4.662 1.00 0.00 C ATOM 0 H ALA A 53 13.228 19.547 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 53 12.566 21.321 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.394 22.404 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.963 22.036 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.442 20.994 -5.076 1.00 0.00 H new ATOM 890 N LYS A 54 13.300 20.641 -6.858 1.00 0.00 N ATOM 891 CA LYS A 54 12.873 20.042 -8.155 1.00 0.00 C ATOM 892 C LYS A 54 11.347 19.981 -8.233 1.00 0.00 C ATOM 893 O LYS A 54 10.648 20.611 -7.464 1.00 0.00 O ATOM 894 CB LYS A 54 13.466 18.633 -8.156 1.00 0.00 C ATOM 895 CG LYS A 54 14.245 18.412 -9.455 1.00 0.00 C ATOM 896 CD LYS A 54 15.181 17.212 -9.293 1.00 0.00 C ATOM 897 CE LYS A 54 15.000 16.260 -10.479 1.00 0.00 C ATOM 898 NZ LYS A 54 13.635 15.687 -10.306 1.00 0.00 N ATOM 0 H LYS A 54 13.869 21.484 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 54 13.211 20.627 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.124 18.503 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.672 17.892 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.554 18.239 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.820 19.304 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.216 17.549 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.965 16.692 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.089 16.789 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.760 15.478 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.630 14.698 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.368 15.724 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.954 16.238 -10.866 1.00 0.00 H new ATOM 912 N ASP A 55 10.827 19.229 -9.161 1.00 0.00 N ATOM 913 CA ASP A 55 9.345 19.125 -9.296 1.00 0.00 C ATOM 914 C ASP A 55 8.759 18.310 -8.139 1.00 0.00 C ATOM 915 O ASP A 55 9.378 17.387 -7.651 1.00 0.00 O ATOM 916 CB ASP A 55 9.118 18.411 -10.628 1.00 0.00 C ATOM 917 CG ASP A 55 9.593 19.306 -11.774 1.00 0.00 C ATOM 918 OD1 ASP A 55 10.785 19.558 -11.848 1.00 0.00 O ATOM 919 OD2 ASP A 55 8.759 19.725 -12.558 1.00 0.00 O ATOM 0 H ASP A 55 11.363 18.681 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 55 8.860 20.101 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.660 17.465 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.061 18.175 -10.751 1.00 0.00 H new ATOM 924 N PRO A 56 7.575 18.689 -7.740 1.00 0.00 N ATOM 925 CA PRO A 56 6.879 17.996 -6.625 1.00 0.00 C ATOM 926 C PRO A 56 6.395 16.613 -7.070 1.00 0.00 C ATOM 927 O PRO A 56 6.336 16.317 -8.247 1.00 0.00 O ATOM 928 CB PRO A 56 5.692 18.908 -6.325 1.00 0.00 C ATOM 929 CG PRO A 56 5.445 19.650 -7.599 1.00 0.00 C ATOM 930 CD PRO A 56 6.777 19.793 -8.287 1.00 0.00 C ATOM 0 HA PRO A 56 7.520 17.831 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.816 18.331 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.916 19.592 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.740 19.109 -8.231 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.007 20.628 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.678 19.717 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.234 20.760 -8.076 1.00 0.00 H new ATOM 938 N GLN A 57 6.041 15.764 -6.141 1.00 0.00 N ATOM 939 CA GLN A 57 5.556 14.410 -6.528 1.00 0.00 C ATOM 940 C GLN A 57 4.036 14.325 -6.380 1.00 0.00 C ATOM 941 O GLN A 57 3.323 13.995 -7.308 1.00 0.00 O ATOM 942 CB GLN A 57 6.219 13.436 -5.563 1.00 0.00 C ATOM 943 CG GLN A 57 7.433 12.800 -6.248 1.00 0.00 C ATOM 944 CD GLN A 57 7.229 11.287 -6.338 1.00 0.00 C ATOM 945 OE1 GLN A 57 6.383 10.737 -5.660 1.00 0.00 O ATOM 946 NE2 GLN A 57 7.972 10.586 -7.148 1.00 0.00 N ATOM 0 H GLN A 57 6.067 15.949 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 57 5.800 14.186 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.528 13.957 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.510 12.665 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.564 13.221 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.340 13.023 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.682 11.047 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.843 9.576 -7.213 1.00 0.00 H new ATOM 955 N GLY A 58 3.542 14.608 -5.207 1.00 0.00 N ATOM 956 CA GLY A 58 2.075 14.536 -4.962 1.00 0.00 C ATOM 957 C GLY A 58 1.840 13.784 -3.654 1.00 0.00 C ATOM 958 O GLY A 58 2.617 12.929 -3.277 1.00 0.00 O ATOM 0 H GLY A 58 4.098 14.889 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.651 15.538 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.577 14.026 -5.787 1.00 0.00 H new ATOM 962 N TYR A 59 0.789 14.091 -2.946 1.00 0.00 N ATOM 963 CA TYR A 59 0.545 13.380 -1.660 1.00 0.00 C ATOM 964 C TYR A 59 0.018 11.967 -1.925 1.00 0.00 C ATOM 965 O TYR A 59 -1.083 11.782 -2.406 1.00 0.00 O ATOM 966 CB TYR A 59 -0.510 14.220 -0.938 1.00 0.00 C ATOM 967 CG TYR A 59 -0.137 15.682 -1.012 1.00 0.00 C ATOM 968 CD1 TYR A 59 1.206 16.059 -1.141 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.136 16.661 -0.949 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.547 17.416 -1.208 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.794 18.016 -1.017 1.00 0.00 C ATOM 972 CZ TYR A 59 0.547 18.394 -1.146 1.00 0.00 C ATOM 973 OH TYR A 59 0.884 19.730 -1.212 1.00 0.00 O ATOM 0 H TYR A 59 0.095 14.795 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 59 1.455 13.272 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.488 14.061 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.587 13.907 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.977 15.305 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.171 16.370 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.582 17.708 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.565 18.770 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 59 1.847 19.833 -1.059 1.00 0.00 H new ATOM 983 N PHE A 60 0.796 10.968 -1.606 1.00 0.00 N ATOM 984 CA PHE A 60 0.343 9.563 -1.828 1.00 0.00 C ATOM 985 C PHE A 60 0.292 8.810 -0.497 1.00 0.00 C ATOM 986 O PHE A 60 1.265 8.755 0.227 1.00 0.00 O ATOM 987 CB PHE A 60 1.392 8.947 -2.754 1.00 0.00 C ATOM 988 CG PHE A 60 0.844 8.870 -4.158 1.00 0.00 C ATOM 989 CD1 PHE A 60 0.152 9.961 -4.701 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.026 7.709 -4.916 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.358 9.887 -6.003 1.00 0.00 C ATOM 992 CE2 PHE A 60 0.516 7.635 -6.218 1.00 0.00 C ATOM 993 CZ PHE A 60 -0.176 8.724 -6.761 1.00 0.00 C ATOM 0 H PHE A 60 1.727 11.064 -1.201 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.657 9.515 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.302 9.547 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.662 7.951 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.012 10.858 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.560 6.869 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.892 10.727 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.656 6.738 -6.803 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.570 8.667 -7.765 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.828 8.228 -0.163 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.919 7.484 1.128 1.00 0.00 C ATOM 1005 C LEU A 61 -1.226 6.001 0.883 1.00 0.00 C ATOM 1006 O LEU A 61 -2.046 5.656 0.056 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.065 8.151 1.891 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.354 8.057 1.072 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.361 7.165 1.800 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.947 9.458 0.898 1.00 0.00 C ATOM 0 H LEU A 61 -1.680 8.235 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 61 0.019 7.518 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.201 7.667 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.824 9.195 2.089 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.133 7.629 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.278 7.099 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.939 6.168 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.584 7.591 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.866 9.394 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.167 9.884 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.231 10.094 0.378 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.582 5.122 1.608 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.845 3.663 1.429 1.00 0.00 C ATOM 1024 C TRP A 62 -1.074 3.017 2.797 1.00 0.00 C ATOM 1025 O TRP A 62 -0.433 3.366 3.769 1.00 0.00 O ATOM 1026 CB TRP A 62 0.417 3.105 0.770 1.00 0.00 C ATOM 1027 CG TRP A 62 0.406 1.612 0.853 1.00 0.00 C ATOM 1028 CD1 TRP A 62 -0.612 0.819 0.449 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.442 0.723 1.359 1.00 0.00 C ATOM 1030 NE1 TRP A 62 -0.268 -0.502 0.678 1.00 0.00 N ATOM 1031 CE2 TRP A 62 0.989 -0.612 1.238 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.718 0.943 1.905 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 1.776 -1.691 1.646 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.512 -0.139 2.318 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.043 -1.454 2.189 1.00 0.00 C ATOM 0 H TRP A 62 0.115 5.352 2.316 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.730 3.466 0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.466 3.421 -0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.304 3.501 1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.542 1.161 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.869 -1.296 0.460 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.091 1.951 2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.409 -2.701 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.490 0.043 2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.659 -2.282 2.508 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.991 2.094 2.894 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.258 1.459 4.210 1.00 0.00 C ATOM 1048 C TYR A 63 -2.402 -0.056 4.060 1.00 0.00 C ATOM 1049 O TYR A 63 -2.856 -0.550 3.047 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.580 2.073 4.665 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.343 3.477 5.170 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.997 3.689 6.508 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.470 4.565 4.298 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -2.781 4.990 6.978 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.252 5.866 4.768 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.908 6.078 6.107 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.693 7.360 6.571 1.00 0.00 O ATOM 0 H TYR A 63 -2.564 1.755 2.121 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.449 1.626 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.289 2.089 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.023 1.463 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.896 2.849 7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.736 4.401 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.517 5.154 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.350 6.706 4.096 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.820 7.999 5.839 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.031 -0.797 5.067 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.163 -2.278 4.988 1.00 0.00 C ATOM 1069 C GLN A 64 -3.519 -2.676 5.568 1.00 0.00 C ATOM 1070 O GLN A 64 -3.898 -2.241 6.637 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.021 -2.833 5.841 1.00 0.00 C ATOM 1072 CG GLN A 64 0.264 -2.865 5.011 1.00 0.00 C ATOM 1073 CD GLN A 64 0.983 -4.197 5.230 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.962 -5.059 4.374 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.621 -4.404 6.349 1.00 0.00 N ATOM 0 H GLN A 64 -1.642 -0.441 5.940 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.109 -2.660 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.880 -2.214 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.267 -3.836 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.030 -2.736 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.914 -2.038 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.639 -3.680 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.102 -5.290 6.505 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.273 -3.461 4.855 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.621 -3.838 5.353 1.00 0.00 C ATOM 1086 C VAL A 65 -5.774 -5.359 5.468 1.00 0.00 C ATOM 1087 O VAL A 65 -5.010 -6.120 4.910 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.559 -3.295 4.281 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.358 -1.789 4.140 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.233 -3.958 2.947 1.00 0.00 C ATOM 0 H VAL A 65 -4.015 -3.857 3.951 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.820 -3.443 6.349 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.590 -3.505 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.029 -1.403 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.575 -1.302 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.326 -1.585 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.901 -3.573 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.201 -3.739 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.364 -5.037 3.035 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.774 -5.796 6.186 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.013 -7.259 6.343 1.00 0.00 C ATOM 1102 C GLU A 66 -8.463 -7.576 5.970 1.00 0.00 C ATOM 1103 O GLU A 66 -9.172 -8.248 6.692 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.763 -7.551 7.822 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.793 -6.799 8.666 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.297 -7.708 9.789 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -7.476 -8.372 10.399 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.494 -7.725 10.018 1.00 0.00 O ATOM 0 H GLU A 66 -7.440 -5.197 6.674 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.368 -7.862 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.834 -8.622 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.755 -7.245 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.346 -5.898 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.627 -6.479 8.041 1.00 0.00 H new ATOM 1115 N MET A 67 -8.902 -7.079 4.851 1.00 0.00 N ATOM 1116 CA MET A 67 -10.306 -7.321 4.410 1.00 0.00 C ATOM 1117 C MET A 67 -10.342 -8.337 3.267 1.00 0.00 C ATOM 1118 O MET A 67 -9.356 -8.545 2.587 1.00 0.00 O ATOM 1119 CB MET A 67 -10.820 -5.961 3.934 1.00 0.00 C ATOM 1120 CG MET A 67 -9.819 -5.351 2.952 1.00 0.00 C ATOM 1121 SD MET A 67 -10.661 -4.124 1.919 1.00 0.00 S ATOM 1122 CE MET A 67 -9.564 -2.733 2.284 1.00 0.00 C ATOM 0 H MET A 67 -8.345 -6.509 4.215 1.00 0.00 H new ATOM 0 HA MET A 67 -10.919 -7.729 5.214 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.792 -6.076 3.454 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.961 -5.296 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.998 -4.883 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.384 -6.131 2.328 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.085 -1.797 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.269 -2.768 3.333 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.676 -2.795 1.655 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.486 -8.942 3.100 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.669 -9.961 2.034 1.00 0.00 C ATOM 1134 C PRO A 68 -11.528 -9.324 0.648 1.00 0.00 C ATOM 1135 O PRO A 68 -11.807 -8.157 0.453 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.089 -10.476 2.274 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.771 -9.367 3.006 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.716 -8.729 3.869 1.00 0.00 C ATOM 0 HA PRO A 68 -10.926 -10.758 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.594 -10.701 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.084 -11.395 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.196 -8.644 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.593 -9.747 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.913 -7.669 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.663 -9.196 4.853 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.082 -10.087 -0.312 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.897 -9.543 -1.690 1.00 0.00 C ATOM 1148 C GLU A 69 -12.209 -8.977 -2.241 1.00 0.00 C ATOM 1149 O GLU A 69 -12.213 -8.217 -3.188 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.452 -10.743 -2.524 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.633 -11.698 -2.711 1.00 0.00 C ATOM 1152 CD GLU A 69 -11.110 -13.107 -2.996 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.915 -13.311 -2.863 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -11.912 -13.958 -3.343 1.00 0.00 O ATOM 0 H GLU A 69 -10.836 -11.071 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.175 -8.726 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.083 -10.409 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.628 -11.258 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.255 -11.704 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.262 -11.359 -3.534 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.320 -9.348 -1.673 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.620 -8.830 -2.190 1.00 0.00 C ATOM 1163 C ASP A 70 -14.905 -7.431 -1.635 1.00 0.00 C ATOM 1164 O ASP A 70 -15.433 -6.579 -2.320 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.668 -9.828 -1.693 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.635 -11.085 -2.566 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -15.396 -10.951 -3.754 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -15.849 -12.159 -2.031 1.00 0.00 O ATOM 0 H ASP A 70 -13.387 -9.983 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.620 -8.739 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.471 -10.090 -0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.659 -9.376 -1.726 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.566 -7.191 -0.400 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.822 -5.855 0.194 1.00 0.00 C ATOM 1175 C ARG A 71 -13.896 -4.805 -0.421 1.00 0.00 C ATOM 1176 O ARG A 71 -14.009 -3.629 -0.143 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.525 -6.026 1.684 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.798 -6.465 2.408 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.524 -5.233 2.951 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.953 -5.436 2.585 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.626 -6.426 3.106 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -18.270 -6.917 4.260 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.653 -6.922 2.473 1.00 0.00 N ATOM 0 H ARG A 71 -14.122 -7.865 0.223 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.841 -5.514 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.738 -6.767 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.160 -5.089 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.448 -7.012 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.550 -7.144 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.401 -5.147 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.130 -4.317 2.511 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.406 -4.802 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.467 -6.528 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.794 -7.690 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.931 -6.536 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.178 -7.695 2.881 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.975 -5.219 -1.249 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.040 -4.238 -1.869 1.00 0.00 C ATOM 1199 C VAL A 72 -12.779 -3.328 -2.852 1.00 0.00 C ATOM 1200 O VAL A 72 -12.608 -2.125 -2.842 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.994 -5.092 -2.587 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.558 -5.632 -3.902 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.766 -4.236 -2.882 1.00 0.00 C ATOM 0 H VAL A 72 -12.830 -6.191 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.587 -3.577 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.722 -5.932 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.801 -6.238 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.436 -6.245 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.839 -4.799 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.016 -4.839 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.051 -3.397 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.352 -3.859 -1.947 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.599 -3.884 -3.697 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.342 -3.035 -4.669 1.00 0.00 C ATOM 1215 C ASN A 73 -15.275 -2.088 -3.915 1.00 0.00 C ATOM 1216 O ASN A 73 -15.436 -0.939 -4.275 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.147 -4.012 -5.526 1.00 0.00 C ATOM 1218 CG ASN A 73 -15.784 -3.256 -6.695 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -16.355 -2.201 -6.509 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.708 -3.754 -7.898 1.00 0.00 N ATOM 0 H ASN A 73 -13.787 -4.885 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.678 -2.422 -5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.499 -4.804 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.919 -4.490 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.128 -3.257 -8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.228 -4.640 -8.054 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.893 -2.568 -2.872 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.818 -1.713 -2.087 1.00 0.00 C ATOM 1229 C ASP A 74 -16.045 -0.614 -1.351 1.00 0.00 C ATOM 1230 O ASP A 74 -16.389 0.550 -1.414 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.466 -2.668 -1.085 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.576 -1.938 -0.327 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.488 -0.727 -0.208 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.497 -2.602 0.120 1.00 0.00 O ATOM 0 H ASP A 74 -15.794 -3.524 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.550 -1.210 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.875 -3.534 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.718 -3.040 -0.385 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.010 -0.978 -0.646 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.217 0.024 0.106 1.00 0.00 C ATOM 1241 C LEU A 75 -13.723 1.146 -0.814 1.00 0.00 C ATOM 1242 O LEU A 75 -13.855 2.315 -0.512 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.029 -0.771 0.658 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.820 -0.435 2.134 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -13.049 1.056 2.342 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.815 -1.228 2.985 1.00 0.00 C ATOM 0 H LEU A 75 -14.679 -1.939 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.805 0.507 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.209 -1.840 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.128 -0.536 0.091 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.804 -0.696 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.902 1.304 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.343 1.621 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.067 1.312 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.666 -0.988 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.832 -0.966 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.657 -2.295 2.830 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.164 0.795 -1.933 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.666 1.831 -2.882 1.00 0.00 C ATOM 1260 C ALA A 76 -13.853 2.629 -3.391 1.00 0.00 C ATOM 1261 O ALA A 76 -13.803 3.831 -3.559 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.007 1.052 -4.021 1.00 0.00 C ATOM 0 H ALA A 76 -13.028 -0.169 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.963 2.528 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.616 1.750 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.191 0.448 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.744 0.401 -4.491 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.921 1.940 -3.632 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.156 2.586 -4.132 1.00 0.00 C ATOM 1270 C ARG A 77 -16.595 3.700 -3.178 1.00 0.00 C ATOM 1271 O ARG A 77 -17.021 4.756 -3.597 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.161 1.443 -4.129 1.00 0.00 C ATOM 1273 CG ARG A 77 -17.528 1.076 -5.570 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.018 1.337 -5.801 1.00 0.00 C ATOM 1275 NE ARG A 77 -19.121 1.723 -7.236 1.00 0.00 N ATOM 1276 CZ ARG A 77 -19.928 1.074 -8.032 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.210 1.055 -7.787 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -19.454 0.444 -9.072 1.00 0.00 N ATOM 0 H ARG A 77 -14.993 0.931 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.041 3.053 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.740 0.577 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.056 1.734 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.933 1.664 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.298 0.027 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.613 0.449 -5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.386 2.131 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.561 2.495 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.581 1.547 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.841 0.548 -8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.452 0.458 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.085 -0.062 -9.693 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.494 3.472 -1.899 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.905 4.519 -0.920 1.00 0.00 C ATOM 1294 C GLU A 78 -15.905 5.676 -0.933 1.00 0.00 C ATOM 1295 O GLU A 78 -16.276 6.834 -0.964 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.891 3.820 0.441 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.587 2.463 0.330 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.842 2.461 1.205 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -18.701 2.310 2.408 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.922 2.610 0.658 1.00 0.00 O ATOM 0 H GLU A 78 -16.145 2.606 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.883 4.938 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.864 3.686 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.395 4.439 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.854 2.263 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.910 1.668 0.644 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.639 5.371 -0.899 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.607 6.448 -0.899 1.00 0.00 C ATOM 1309 C LEU A 79 -13.616 7.212 -2.226 1.00 0.00 C ATOM 1310 O LEU A 79 -13.418 8.408 -2.264 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.278 5.715 -0.718 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.886 5.722 0.758 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -13.064 5.236 1.604 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -10.689 4.792 0.968 1.00 0.00 C ATOM 0 H LEU A 79 -14.272 4.420 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.787 7.184 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.365 4.689 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.502 6.196 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.619 6.735 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.783 5.242 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.918 5.897 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.333 4.223 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.406 4.795 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.958 3.779 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.849 5.139 0.366 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.831 6.528 -3.317 1.00 0.00 N ATOM 1327 CA ARG A 80 -13.837 7.217 -4.640 1.00 0.00 C ATOM 1328 C ARG A 80 -15.070 8.115 -4.784 1.00 0.00 C ATOM 1329 O ARG A 80 -15.027 9.144 -5.430 1.00 0.00 O ATOM 1330 CB ARG A 80 -13.880 6.089 -5.670 1.00 0.00 C ATOM 1331 CG ARG A 80 -13.153 6.531 -6.941 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.000 7.570 -7.681 1.00 0.00 C ATOM 1333 NE ARG A 80 -13.611 7.435 -9.112 1.00 0.00 N ATOM 1334 CZ ARG A 80 -14.127 8.233 -10.008 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.300 7.972 -10.518 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -13.468 9.290 -10.396 1.00 0.00 N ATOM 0 H ARG A 80 -14.003 5.523 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.967 7.862 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.412 5.193 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.914 5.832 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.180 6.953 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.969 5.671 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.065 7.383 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.802 8.576 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.941 6.719 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.814 7.144 -10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.702 8.596 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.550 9.493 -10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.870 9.914 -11.096 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.170 7.731 -4.202 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.403 8.556 -4.319 1.00 0.00 C ATOM 1352 C ILE A 81 -17.304 9.820 -3.460 1.00 0.00 C ATOM 1353 O ILE A 81 -18.049 10.762 -3.646 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.526 7.654 -3.811 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -18.798 6.549 -4.836 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.793 8.483 -3.613 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -19.854 5.589 -4.283 1.00 0.00 C ATOM 0 H ILE A 81 -16.269 6.880 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.569 8.892 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.230 7.206 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.143 6.985 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.878 6.007 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.595 7.840 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.602 9.271 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.087 8.930 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.048 4.802 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.491 5.144 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.776 6.136 -4.086 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.404 9.851 -2.515 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.290 11.063 -1.651 1.00 0.00 C ATOM 1371 C ARG A 82 -15.866 12.277 -2.468 1.00 0.00 C ATOM 1372 O ARG A 82 -15.384 12.171 -3.579 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.227 10.743 -0.612 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.878 12.014 0.162 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.017 11.654 1.375 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.400 12.640 2.423 1.00 0.00 N ATOM 1377 CZ ARG A 82 -15.530 12.510 3.066 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -16.339 11.525 2.782 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -15.851 13.367 3.996 1.00 0.00 N ATOM 0 H ARG A 82 -15.748 9.099 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.249 11.303 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.590 9.975 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.337 10.343 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.342 12.710 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.789 12.517 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.207 10.633 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.955 11.720 1.139 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.778 13.419 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.090 10.853 2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.220 11.427 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.220 14.137 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.733 13.267 4.499 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.052 13.433 -1.908 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.676 14.694 -2.612 1.00 0.00 C ATOM 1395 C ASP A 83 -14.154 14.887 -2.637 1.00 0.00 C ATOM 1396 O ASP A 83 -13.576 15.201 -3.659 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.343 15.807 -1.803 1.00 0.00 C ATOM 1398 CG ASP A 83 -15.967 15.664 -0.327 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -16.571 14.841 0.340 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -15.079 16.377 0.110 1.00 0.00 O ATOM 0 H ASP A 83 -16.454 13.565 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.997 14.685 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.027 16.781 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.426 15.756 -1.920 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.508 14.725 -1.514 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.029 14.923 -1.458 1.00 0.00 C ATOM 1407 C ASN A 84 -11.299 13.884 -2.314 1.00 0.00 C ATOM 1408 O ASN A 84 -10.257 14.158 -2.877 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.665 14.747 0.017 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.607 15.588 0.882 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.571 15.081 1.422 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.367 16.862 1.039 1.00 0.00 N ATOM 0 H ASN A 84 -13.942 14.463 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.738 15.899 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.738 13.696 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.632 15.050 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.988 17.431 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.558 17.288 0.586 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.822 12.695 -2.412 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.137 11.652 -3.222 1.00 0.00 C ATOM 1421 C VAL A 85 -11.466 11.820 -4.707 1.00 0.00 C ATOM 1422 O VAL A 85 -12.613 11.797 -5.108 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.694 10.334 -2.694 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.028 9.174 -3.427 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.407 10.224 -1.195 1.00 0.00 C ATOM 0 H VAL A 85 -12.692 12.401 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.052 11.708 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.771 10.299 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.424 8.231 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.231 9.254 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.952 9.208 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.805 9.282 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.330 10.257 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.881 11.054 -0.672 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.463 11.978 -5.528 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.711 12.137 -6.990 1.00 0.00 C ATOM 1437 C ARG A 86 -10.744 10.762 -7.661 1.00 0.00 C ATOM 1438 O ARG A 86 -11.506 10.523 -8.576 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.527 12.955 -7.505 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.025 14.301 -8.034 1.00 0.00 C ATOM 1441 CD ARG A 86 -10.402 14.159 -9.510 1.00 0.00 C ATOM 1442 NE ARG A 86 -9.104 13.998 -10.222 1.00 0.00 N ATOM 1443 CZ ARG A 86 -8.569 15.015 -10.839 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -8.127 16.035 -10.153 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -8.474 15.013 -12.140 1.00 0.00 N ATOM 0 H ARG A 86 -9.482 12.004 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.663 12.624 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.805 13.112 -6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.012 12.410 -8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.888 14.634 -7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.251 15.059 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.051 13.298 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.942 15.036 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.634 13.093 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.200 16.036 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.708 16.831 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.818 14.216 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.056 15.809 -12.622 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.920 9.858 -7.206 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.896 8.498 -7.805 1.00 0.00 C ATOM 1461 C ARG A 87 -9.396 7.486 -6.765 1.00 0.00 C ATOM 1462 O ARG A 87 -8.732 7.838 -5.811 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.930 8.616 -8.997 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.109 7.332 -9.152 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.086 7.511 -10.277 1.00 0.00 C ATOM 1466 NE ARG A 87 -5.761 7.484 -9.598 1.00 0.00 N ATOM 1467 CZ ARG A 87 -4.808 8.282 -9.992 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -4.792 8.721 -11.222 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -3.873 8.642 -9.158 1.00 0.00 N ATOM 0 H ARG A 87 -9.261 10.006 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.878 8.150 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.492 8.807 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.263 9.465 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.600 7.099 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.767 6.492 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.168 6.714 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.240 8.452 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.599 6.840 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.525 8.440 -11.874 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.047 9.345 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.887 8.299 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.127 9.266 -9.466 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.709 6.235 -6.949 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.252 5.203 -5.977 1.00 0.00 C ATOM 1485 C VAL A 88 -8.589 4.041 -6.723 1.00 0.00 C ATOM 1486 O VAL A 88 -9.136 3.502 -7.664 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.523 4.737 -5.265 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.272 3.390 -4.584 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -10.922 5.770 -4.209 1.00 0.00 C ATOM 0 H VAL A 88 -10.262 5.882 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.516 5.590 -5.273 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.324 4.629 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.181 3.063 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.987 2.651 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.469 3.495 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.828 5.439 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.117 5.877 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.106 6.730 -4.691 1.00 0.00 H new ATOM 1499 N MET A 89 -7.413 3.653 -6.310 1.00 0.00 N ATOM 1500 CA MET A 89 -6.716 2.529 -6.997 1.00 0.00 C ATOM 1501 C MET A 89 -6.289 1.470 -5.977 1.00 0.00 C ATOM 1502 O MET A 89 -5.500 1.730 -5.090 1.00 0.00 O ATOM 1503 CB MET A 89 -5.491 3.166 -7.656 1.00 0.00 C ATOM 1504 CG MET A 89 -5.740 3.319 -9.158 1.00 0.00 C ATOM 1505 SD MET A 89 -4.713 2.135 -10.063 1.00 0.00 S ATOM 1506 CE MET A 89 -3.330 3.249 -10.411 1.00 0.00 C ATOM 0 H MET A 89 -6.905 4.065 -5.527 1.00 0.00 H new ATOM 0 HA MET A 89 -7.355 2.029 -7.725 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.290 4.140 -7.209 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.610 2.548 -7.484 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.793 3.149 -9.382 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.507 4.336 -9.475 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.565 2.714 -10.974 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.685 4.097 -10.996 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.906 3.607 -9.473 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.805 0.276 -6.096 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.428 -0.799 -5.133 1.00 0.00 C ATOM 1518 C VAL A 90 -5.636 -1.894 -5.852 1.00 0.00 C ATOM 1519 O VAL A 90 -6.077 -2.446 -6.840 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.757 -1.348 -4.616 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.492 -2.386 -3.525 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.590 -0.202 -4.036 1.00 0.00 C ATOM 0 H VAL A 90 -7.471 -0.001 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.798 -0.430 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.300 -1.815 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.440 -2.777 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.898 -3.202 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.948 -1.920 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.538 -0.592 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.045 0.264 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.780 0.539 -4.813 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.468 -2.211 -5.367 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.648 -3.267 -6.026 1.00 0.00 C ATOM 1534 C VAL A 91 -3.141 -4.268 -4.986 1.00 0.00 C ATOM 1535 O VAL A 91 -2.738 -3.898 -3.900 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.477 -2.523 -6.673 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.935 -1.898 -7.992 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.976 -1.419 -5.734 1.00 0.00 C ATOM 0 H VAL A 91 -4.045 -1.785 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.221 -3.834 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.668 -3.228 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.101 -1.368 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.283 -2.682 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.748 -1.198 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.143 -0.894 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.784 -0.714 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.645 -1.863 -4.795 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.150 -5.533 -5.309 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.662 -6.550 -4.338 1.00 0.00 C ATOM 1550 C LYS A 92 -1.139 -6.440 -4.205 1.00 0.00 C ATOM 1551 O LYS A 92 -0.438 -6.189 -5.164 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.087 -7.899 -4.942 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.061 -8.986 -4.603 1.00 0.00 C ATOM 1554 CD LYS A 92 -2.703 -10.366 -4.766 1.00 0.00 C ATOM 1555 CE LYS A 92 -2.535 -11.165 -3.471 1.00 0.00 C ATOM 1556 NZ LYS A 92 -3.749 -10.853 -2.665 1.00 0.00 N ATOM 0 H LYS A 92 -3.474 -5.904 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.070 -6.422 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.067 -8.183 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.183 -7.806 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.193 -8.898 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.705 -8.858 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.761 -10.260 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.240 -10.898 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.460 -12.233 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.626 -10.875 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.617 -11.194 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.903 -9.825 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.576 -11.322 -3.087 1.00 0.00 H new ATOM 1570 N SER A 93 -0.626 -6.624 -3.020 1.00 0.00 N ATOM 1571 CA SER A 93 0.848 -6.527 -2.823 1.00 0.00 C ATOM 1572 C SER A 93 1.457 -7.920 -2.657 1.00 0.00 C ATOM 1573 O SER A 93 1.103 -8.662 -1.762 1.00 0.00 O ATOM 1574 CB SER A 93 1.021 -5.710 -1.543 1.00 0.00 C ATOM 1575 OG SER A 93 -0.142 -4.920 -1.331 1.00 0.00 O ATOM 0 H SER A 93 -1.163 -6.837 -2.180 1.00 0.00 H new ATOM 0 HA SER A 93 1.348 -6.065 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.184 -6.373 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.900 -5.070 -1.622 1.00 0.00 H new ATOM 0 HG SER A 93 -0.107 -4.520 -0.437 1.00 0.00 H new ATOM 1581 N GLN A 94 2.373 -8.282 -3.514 1.00 0.00 N ATOM 1582 CA GLN A 94 3.009 -9.627 -3.406 1.00 0.00 C ATOM 1583 C GLN A 94 4.394 -9.604 -4.058 1.00 0.00 C ATOM 1584 O GLN A 94 4.872 -8.573 -4.487 1.00 0.00 O ATOM 1585 CB GLN A 94 2.073 -10.572 -4.159 1.00 0.00 C ATOM 1586 CG GLN A 94 1.888 -10.078 -5.594 1.00 0.00 C ATOM 1587 CD GLN A 94 0.949 -11.027 -6.341 1.00 0.00 C ATOM 1588 OE1 GLN A 94 1.065 -12.314 -6.159 1.00 0.00 O flip ATOM 1589 NE2 GLN A 94 0.102 -10.593 -7.096 1.00 0.00 N flip ATOM 0 H GLN A 94 2.709 -7.704 -4.285 1.00 0.00 H new ATOM 0 HA GLN A 94 3.149 -9.939 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.485 -11.581 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.108 -10.623 -3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.477 -9.068 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.852 -10.029 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.012 -9.587 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.519 -11.235 -7.588 1.00 0.00 H new ATOM 1598 N GLU A 95 5.044 -10.733 -4.133 1.00 0.00 N ATOM 1599 CA GLU A 95 6.399 -10.770 -4.756 1.00 0.00 C ATOM 1600 C GLU A 95 6.303 -11.236 -6.211 1.00 0.00 C ATOM 1601 O GLU A 95 5.413 -11.982 -6.570 1.00 0.00 O ATOM 1602 CB GLU A 95 7.193 -11.775 -3.921 1.00 0.00 C ATOM 1603 CG GLU A 95 7.180 -11.345 -2.453 1.00 0.00 C ATOM 1604 CD GLU A 95 7.979 -10.051 -2.290 1.00 0.00 C ATOM 1605 OE1 GLU A 95 7.435 -9.001 -2.589 1.00 0.00 O ATOM 1606 OE2 GLU A 95 9.121 -10.132 -1.867 1.00 0.00 O ATOM 0 H GLU A 95 4.697 -11.629 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 95 6.872 -9.788 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.760 -12.770 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.219 -11.835 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.154 -11.196 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.609 -12.130 -1.830 1.00 0.00 H new ATOM 1613 N PRO A 96 7.235 -10.776 -7.000 1.00 0.00 N ATOM 1614 CA PRO A 96 7.271 -11.143 -8.437 1.00 0.00 C ATOM 1615 C PRO A 96 7.773 -12.580 -8.607 1.00 0.00 C ATOM 1616 O PRO A 96 8.955 -12.823 -8.737 1.00 0.00 O ATOM 1617 CB PRO A 96 8.261 -10.149 -9.034 1.00 0.00 C ATOM 1618 CG PRO A 96 9.141 -9.740 -7.894 1.00 0.00 C ATOM 1619 CD PRO A 96 8.331 -9.878 -6.629 1.00 0.00 C ATOM 0 HA PRO A 96 6.293 -11.103 -8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.842 -10.605 -9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.746 -9.289 -9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.031 -10.368 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.482 -8.713 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.928 -10.293 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.957 -8.913 -6.288 1.00 0.00 H new ATOM 1627 N PHE A 97 6.881 -13.534 -8.606 1.00 0.00 N ATOM 1628 CA PHE A 97 7.308 -14.954 -8.765 1.00 0.00 C ATOM 1629 C PHE A 97 6.983 -15.450 -10.177 1.00 0.00 C ATOM 1630 O PHE A 97 6.262 -16.411 -10.358 1.00 0.00 O ATOM 1631 CB PHE A 97 6.500 -15.730 -7.724 1.00 0.00 C ATOM 1632 CG PHE A 97 7.445 -16.434 -6.779 1.00 0.00 C ATOM 1633 CD1 PHE A 97 8.345 -15.689 -6.008 1.00 0.00 C ATOM 1634 CD2 PHE A 97 7.423 -17.830 -6.676 1.00 0.00 C ATOM 1635 CE1 PHE A 97 9.223 -16.340 -5.133 1.00 0.00 C ATOM 1636 CE2 PHE A 97 8.301 -18.481 -5.801 1.00 0.00 C ATOM 1637 CZ PHE A 97 9.200 -17.736 -5.029 1.00 0.00 C ATOM 0 H PHE A 97 5.876 -13.392 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 97 8.381 -15.080 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.853 -15.051 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.853 -16.456 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.362 -14.612 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.729 -18.405 -7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.918 -15.765 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 97 8.285 -19.558 -5.722 1.00 0.00 H new ATOM 0 HZ PHE A 97 9.876 -18.238 -4.353 1.00 0.00 H new ATOM 1647 N LEU A 98 7.512 -14.801 -11.179 1.00 0.00 N ATOM 1648 CA LEU A 98 7.234 -15.236 -12.578 1.00 0.00 C ATOM 1649 C LEU A 98 5.733 -15.468 -12.774 1.00 0.00 C ATOM 1650 O LEU A 98 5.235 -16.561 -12.589 1.00 0.00 O ATOM 1651 CB LEU A 98 8.006 -16.545 -12.745 1.00 0.00 C ATOM 1652 CG LEU A 98 9.464 -16.238 -13.085 1.00 0.00 C ATOM 1653 CD1 LEU A 98 10.258 -17.542 -13.161 1.00 0.00 C ATOM 1654 CD2 LEU A 98 9.531 -15.522 -14.437 1.00 0.00 C ATOM 0 H LEU A 98 8.124 -13.990 -11.090 1.00 0.00 H new ATOM 0 HA LEU A 98 7.536 -14.488 -13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.951 -17.131 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.556 -17.146 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 98 9.890 -15.599 -12.311 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.298 -17.321 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.210 -18.054 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.833 -18.182 -13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.570 -15.302 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.104 -16.162 -15.209 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.966 -14.591 -14.384 1.00 0.00 H new ATOM 1666 N ALA A 99 5.012 -14.448 -13.146 1.00 0.00 N ATOM 1667 CA ALA A 99 3.544 -14.608 -13.356 1.00 0.00 C ATOM 1668 C ALA A 99 3.148 -14.072 -14.733 1.00 0.00 C ATOM 1669 O ALA A 99 2.288 -14.614 -15.398 1.00 0.00 O ATOM 1670 CB ALA A 99 2.894 -13.779 -12.248 1.00 0.00 C ATOM 0 H ALA A 99 5.375 -13.510 -13.314 1.00 0.00 H new ATOM 0 HA ALA A 99 3.231 -15.651 -13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.809 -13.845 -12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.206 -14.162 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.203 -12.738 -12.343 1.00 0.00 H new ATOM 1676 N ASN A 100 3.770 -13.010 -15.168 1.00 0.00 N ATOM 1677 CA ASN A 100 3.430 -12.441 -16.503 1.00 0.00 C ATOM 1678 C ASN A 100 4.344 -13.034 -17.578 1.00 0.00 C ATOM 1679 O ASN A 100 4.671 -12.389 -18.554 1.00 0.00 O ATOM 1680 CB ASN A 100 3.670 -10.937 -16.366 1.00 0.00 C ATOM 1681 CG ASN A 100 2.925 -10.411 -15.137 1.00 0.00 C ATOM 1682 OD1 ASN A 100 1.831 -11.009 -14.749 1.00 0.00 O flip ATOM 1683 ND2 ASN A 100 3.342 -9.449 -14.525 1.00 0.00 N flip ATOM 0 H ASN A 100 4.499 -12.512 -14.657 1.00 0.00 H new ATOM 0 HA ASN A 100 2.405 -12.665 -16.798 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.737 -10.735 -16.271 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.326 -10.420 -17.262 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.197 -8.983 -14.829 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.838 -9.107 -13.707 1.00 0.00 H new ATOM 1690 N ALA A 101 4.759 -14.259 -17.406 1.00 0.00 N ATOM 1691 CA ALA A 101 5.652 -14.893 -18.418 1.00 0.00 C ATOM 1692 C ALA A 101 5.005 -14.839 -19.805 1.00 0.00 C ATOM 1693 O ALA A 101 5.716 -14.573 -20.760 1.00 0.00 O ATOM 1694 CB ALA A 101 5.809 -16.341 -17.954 1.00 0.00 C ATOM 1695 OXT ALA A 101 3.808 -15.064 -19.889 1.00 0.00 O ATOM 0 H ALA A 101 4.519 -14.848 -16.609 1.00 0.00 H new ATOM 0 HA ALA A 101 6.613 -14.384 -18.498 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.455 -16.878 -18.649 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.253 -16.358 -16.959 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.831 -16.821 -17.923 1.00 0.00 H new TER 1701 ALA A 101