USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 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 ALA N :NH3+ 131:sc= 0.111 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.828 K(o=-0.83,f=-4.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0263 (180deg=-0.365) USER MOD Single : A 22 ASN : amide:sc= -1.42 K(o=-1.4,f=-9.4!) USER MOD Single : A 23 TYR OH : rot -76:sc= 0.464 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.7) USER MOD Single : A 30 SER OG : rot 41:sc= 0.189 USER MOD Single : A 37 SER OG : rot 0:sc= 1.07 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.0495 (180deg=-0.128) USER MOD Single : A 49 SER OG : rot -126:sc= 0.459 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0189 K(o=-0.019,f=-3.7!) USER MOD Single : A 64 SER OG : rot 40:sc= 0.903 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 77 TYR OH : rot -64:sc= 0.999 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 126:sc= 2.1 USER MOD Single : A 91 SER OG : rot 28:sc= 1.64 USER MOD Single : A 96 TYR OH : rot 180:sc= 0.626 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 114:sc= 0.886 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0.0107 X(o=0.011,f=-0.36) USER MOD Single : A 102 TYR OH : rot 19:sc= 0.879 USER MOD Single : A 104 THR OG1 : rot 38:sc= 0.768 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0893 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.888 -3.825 13.284 1.00 0.00 N ATOM 2 CA ALA A 1 13.633 -4.273 12.704 1.00 0.00 C ATOM 3 C ALA A 1 12.709 -3.069 12.508 1.00 0.00 C ATOM 4 O ALA A 1 12.892 -2.032 13.144 1.00 0.00 O ATOM 5 CB ALA A 1 13.011 -5.346 13.599 1.00 0.00 C ATOM 0 H1 ALA A 1 15.128 -4.426 14.098 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.643 -3.890 12.571 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.793 -2.838 13.598 1.00 0.00 H new ATOM 0 HA ALA A 1 13.801 -4.723 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.070 -5.682 13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.694 -6.191 13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.825 -4.931 14.589 1.00 0.00 H new ATOM 11 N VAL A 2 11.737 -3.247 11.626 1.00 0.00 N ATOM 12 CA VAL A 2 10.782 -2.189 11.342 1.00 0.00 C ATOM 13 C VAL A 2 9.371 -2.779 11.305 1.00 0.00 C ATOM 14 O VAL A 2 9.204 -3.996 11.254 1.00 0.00 O ATOM 15 CB VAL A 2 11.165 -1.474 10.045 1.00 0.00 C ATOM 16 CG1 VAL A 2 12.532 -0.800 10.173 1.00 0.00 C ATOM 17 CG2 VAL A 2 11.139 -2.439 8.858 1.00 0.00 C ATOM 0 H VAL A 2 11.590 -4.108 11.099 1.00 0.00 H new ATOM 0 HA VAL A 2 10.799 -1.436 12.130 1.00 0.00 H new ATOM 0 HB VAL A 2 10.424 -0.696 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.780 -0.299 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.502 -0.068 10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.289 -1.552 10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.415 -1.905 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.847 -3.249 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.136 -2.851 8.746 1.00 0.00 H new ATOM 27 N ILE A 3 8.391 -1.888 11.332 1.00 0.00 N ATOM 28 CA ILE A 3 7.001 -2.300 11.227 1.00 0.00 C ATOM 29 C ILE A 3 6.591 -2.327 9.753 1.00 0.00 C ATOM 30 O ILE A 3 6.991 -1.459 8.978 1.00 0.00 O ATOM 31 CB ILE A 3 6.111 -1.409 12.097 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.296 -1.732 13.581 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.647 -1.510 11.666 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.538 -0.733 14.458 1.00 0.00 C ATOM 0 H ILE A 3 8.532 -0.882 11.425 1.00 0.00 H new ATOM 0 HA ILE A 3 6.873 -3.312 11.612 1.00 0.00 H new ATOM 0 HB ILE A 3 6.418 -0.373 11.953 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.941 -2.742 13.784 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.356 -1.710 13.832 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.036 -0.867 12.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.551 -1.193 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.310 -2.542 11.763 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.686 -0.985 15.508 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.912 0.273 14.270 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.475 -0.775 14.221 1.00 0.00 H new ATOM 46 N ASN A 4 5.799 -3.332 9.411 1.00 0.00 N ATOM 47 CA ASN A 4 5.342 -3.491 8.041 1.00 0.00 C ATOM 48 C ASN A 4 4.088 -4.368 8.025 1.00 0.00 C ATOM 49 O ASN A 4 3.912 -5.189 7.126 1.00 0.00 O ATOM 50 CB ASN A 4 6.407 -4.173 7.180 1.00 0.00 C ATOM 51 CG ASN A 4 6.642 -5.614 7.639 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.265 -6.016 8.727 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.285 -6.367 6.750 1.00 0.00 N ATOM 0 H ASN A 4 5.462 -4.044 10.059 1.00 0.00 H new ATOM 0 HA ASN A 4 5.134 -2.500 7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.095 -4.166 6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.340 -3.612 7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.490 -7.344 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.573 -5.968 5.857 1.00 0.00 H new ATOM 60 N THR A 5 3.249 -4.164 9.030 1.00 0.00 N ATOM 61 CA THR A 5 2.105 -5.035 9.238 1.00 0.00 C ATOM 62 C THR A 5 0.804 -4.287 8.935 1.00 0.00 C ATOM 63 O THR A 5 0.816 -3.076 8.719 1.00 0.00 O ATOM 64 CB THR A 5 2.175 -5.576 10.667 1.00 0.00 C ATOM 65 OG1 THR A 5 2.343 -4.412 11.471 1.00 0.00 O ATOM 66 CG2 THR A 5 3.445 -6.391 10.922 1.00 0.00 C ATOM 0 H THR A 5 3.339 -3.408 9.709 1.00 0.00 H new ATOM 0 HA THR A 5 2.124 -5.883 8.553 1.00 0.00 H new ATOM 0 HB THR A 5 1.300 -6.195 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.396 -4.671 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.445 -6.752 11.951 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.475 -7.240 10.239 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.320 -5.762 10.758 1.00 0.00 H new ATOM 74 N PHE A 6 -0.286 -5.040 8.929 1.00 0.00 N ATOM 75 CA PHE A 6 -1.590 -4.467 8.642 1.00 0.00 C ATOM 76 C PHE A 6 -2.008 -3.482 9.737 1.00 0.00 C ATOM 77 O PHE A 6 -2.413 -2.358 9.444 1.00 0.00 O ATOM 78 CB PHE A 6 -2.589 -5.624 8.605 1.00 0.00 C ATOM 79 CG PHE A 6 -2.402 -6.571 7.418 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.685 -6.145 6.158 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.952 -7.838 7.622 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.511 -7.023 5.055 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.778 -8.716 6.520 1.00 0.00 C ATOM 84 CZ PHE A 6 -2.061 -8.290 5.260 1.00 0.00 C ATOM 0 H PHE A 6 -0.293 -6.042 9.118 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.559 -3.926 7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.502 -6.195 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.600 -5.217 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.042 -5.139 5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.727 -8.176 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.736 -6.685 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.421 -9.722 6.682 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.928 -8.958 4.422 1.00 0.00 H new ATOM 94 N ASP A 7 -1.896 -3.941 10.975 1.00 0.00 N ATOM 95 CA ASP A 7 -2.325 -3.142 12.110 1.00 0.00 C ATOM 96 C ASP A 7 -1.342 -1.988 12.316 1.00 0.00 C ATOM 97 O ASP A 7 -1.737 -0.896 12.723 1.00 0.00 O ATOM 98 CB ASP A 7 -2.350 -3.976 13.392 1.00 0.00 C ATOM 99 CG ASP A 7 -3.249 -5.213 13.342 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.348 -5.092 12.759 1.00 0.00 O ATOM 101 OD2 ASP A 7 -2.817 -6.251 13.887 1.00 0.00 O ATOM 0 H ASP A 7 -1.515 -4.856 11.217 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.328 -2.771 11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.333 -4.294 13.621 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.678 -3.340 14.215 1.00 0.00 H new ATOM 106 N GLY A 8 -0.080 -2.268 12.026 1.00 0.00 N ATOM 107 CA GLY A 8 0.985 -1.329 12.333 1.00 0.00 C ATOM 108 C GLY A 8 0.971 -0.147 11.361 1.00 0.00 C ATOM 109 O GLY A 8 0.992 1.008 11.784 1.00 0.00 O ATOM 0 H GLY A 8 0.229 -3.132 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.871 -0.966 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.948 -1.836 12.280 1.00 0.00 H new ATOM 113 N VAL A 9 0.935 -0.477 10.079 1.00 0.00 N ATOM 114 CA VAL A 9 0.822 0.541 9.047 1.00 0.00 C ATOM 115 C VAL A 9 -0.464 1.340 9.264 1.00 0.00 C ATOM 116 O VAL A 9 -0.470 2.562 9.124 1.00 0.00 O ATOM 117 CB VAL A 9 0.897 -0.107 7.663 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.554 0.903 6.566 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.274 -0.730 7.423 1.00 0.00 C ATOM 0 H VAL A 9 0.982 -1.434 9.731 1.00 0.00 H new ATOM 0 HA VAL A 9 1.654 1.242 9.109 1.00 0.00 H new ATOM 0 HB VAL A 9 0.157 -0.906 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.615 0.417 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.457 1.280 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.260 1.733 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.300 -1.184 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.040 0.043 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.464 -1.494 8.177 1.00 0.00 H new ATOM 129 N ALA A 10 -1.522 0.618 9.603 1.00 0.00 N ATOM 130 CA ALA A 10 -2.828 1.234 9.764 1.00 0.00 C ATOM 131 C ALA A 10 -2.738 2.346 10.811 1.00 0.00 C ATOM 132 O ALA A 10 -3.393 3.379 10.683 1.00 0.00 O ATOM 133 CB ALA A 10 -3.855 0.164 10.138 1.00 0.00 C ATOM 0 H ALA A 10 -1.501 -0.388 9.771 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.155 1.688 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.835 0.626 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.903 -0.586 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.561 -0.312 11.073 1.00 0.00 H new ATOM 139 N ASP A 11 -1.920 2.097 11.823 1.00 0.00 N ATOM 140 CA ASP A 11 -1.760 3.050 12.908 1.00 0.00 C ATOM 141 C ASP A 11 -1.090 4.318 12.373 1.00 0.00 C ATOM 142 O ASP A 11 -1.551 5.427 12.636 1.00 0.00 O ATOM 143 CB ASP A 11 -0.874 2.479 14.016 1.00 0.00 C ATOM 144 CG ASP A 11 -1.608 2.117 15.309 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.353 1.114 15.276 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.407 2.850 16.301 1.00 0.00 O ATOM 0 H ASP A 11 -1.361 1.249 11.914 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.748 3.269 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.374 1.587 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.096 3.206 14.249 1.00 0.00 H new ATOM 151 N TYR A 12 -0.012 4.110 11.630 1.00 0.00 N ATOM 152 CA TYR A 12 0.838 5.215 11.220 1.00 0.00 C ATOM 153 C TYR A 12 0.071 6.195 10.330 1.00 0.00 C ATOM 154 O TYR A 12 0.309 7.401 10.381 1.00 0.00 O ATOM 155 CB TYR A 12 1.977 4.593 10.410 1.00 0.00 C ATOM 156 CG TYR A 12 3.162 4.128 11.258 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.761 5.000 12.144 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.633 2.836 11.137 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.877 4.563 12.942 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.749 2.399 11.935 1.00 0.00 C ATOM 161 CZ TYR A 12 5.316 3.284 12.798 1.00 0.00 C ATOM 162 OH TYR A 12 6.369 2.871 13.552 1.00 0.00 O ATOM 0 H TYR A 12 0.292 3.193 11.302 1.00 0.00 H new ATOM 0 HA TYR A 12 1.196 5.767 12.089 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.588 3.743 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.330 5.321 9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.393 6.011 12.239 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.164 2.153 10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.355 5.236 13.639 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.127 1.391 11.850 1.00 0.00 H new ATOM 0 HH TYR A 12 6.375 3.359 14.402 1.00 0.00 H new ATOM 172 N LEU A 13 -0.832 5.641 9.535 1.00 0.00 N ATOM 173 CA LEU A 13 -1.669 6.456 8.671 1.00 0.00 C ATOM 174 C LEU A 13 -2.402 7.500 9.516 1.00 0.00 C ATOM 175 O LEU A 13 -2.309 8.697 9.247 1.00 0.00 O ATOM 176 CB LEU A 13 -2.602 5.572 7.841 1.00 0.00 C ATOM 177 CG LEU A 13 -1.997 4.962 6.575 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.442 3.509 6.400 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.323 5.813 5.346 1.00 0.00 C ATOM 0 H LEU A 13 -1.003 4.637 9.471 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.058 7.000 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.962 4.762 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.472 6.163 7.556 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.912 4.956 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.998 3.099 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.117 2.923 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.528 3.468 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.881 5.357 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.404 5.874 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.916 6.815 5.479 1.00 0.00 H new ATOM 191 N ILE A 14 -3.115 7.009 10.519 1.00 0.00 N ATOM 192 CA ILE A 14 -3.849 7.886 11.415 1.00 0.00 C ATOM 193 C ILE A 14 -2.870 8.838 12.106 1.00 0.00 C ATOM 194 O ILE A 14 -3.141 10.032 12.229 1.00 0.00 O ATOM 195 CB ILE A 14 -4.700 7.068 12.388 1.00 0.00 C ATOM 196 CG1 ILE A 14 -5.899 6.441 11.673 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.128 7.914 13.588 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.032 7.455 11.509 1.00 0.00 C ATOM 0 H ILE A 14 -3.200 6.015 10.731 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.551 8.502 10.853 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.089 6.251 12.772 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.591 6.073 10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.255 5.581 12.240 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.732 7.308 14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.243 8.272 14.114 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.714 8.765 13.242 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.871 6.983 10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.354 7.803 12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.679 8.303 10.921 1.00 0.00 H new ATOM 210 N ARG A 15 -1.752 8.274 12.539 1.00 0.00 N ATOM 211 CA ARG A 15 -0.875 8.967 13.467 1.00 0.00 C ATOM 212 C ARG A 15 -0.289 10.218 12.810 1.00 0.00 C ATOM 213 O ARG A 15 -0.553 11.336 13.249 1.00 0.00 O ATOM 214 CB ARG A 15 0.267 8.059 13.928 1.00 0.00 C ATOM 215 CG ARG A 15 0.638 8.340 15.385 1.00 0.00 C ATOM 216 CD ARG A 15 1.799 7.452 15.837 1.00 0.00 C ATOM 217 NE ARG A 15 1.547 6.946 17.205 1.00 0.00 N ATOM 218 CZ ARG A 15 0.806 5.864 17.481 1.00 0.00 C ATOM 219 NH1 ARG A 15 0.115 5.259 16.505 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.757 5.387 18.732 1.00 0.00 N ATOM 0 H ARG A 15 -1.433 7.345 12.264 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.470 9.253 14.335 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.027 7.015 13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.138 8.213 13.291 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.912 9.389 15.498 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.228 8.166 16.024 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.918 6.616 15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.730 8.018 15.816 1.00 0.00 H new ATOM 0 HE ARG A 15 1.963 7.452 17.986 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.153 5.622 15.553 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.449 4.435 16.715 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.284 5.847 19.474 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.193 4.563 18.942 1.00 0.00 H new ATOM 234 N TYR A 16 0.496 9.988 11.768 1.00 0.00 N ATOM 235 CA TYR A 16 1.269 11.059 11.161 1.00 0.00 C ATOM 236 C TYR A 16 0.567 11.603 9.915 1.00 0.00 C ATOM 237 O TYR A 16 1.065 12.525 9.271 1.00 0.00 O ATOM 238 CB TYR A 16 2.603 10.435 10.748 1.00 0.00 C ATOM 239 CG TYR A 16 3.520 10.091 11.925 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.819 11.051 12.870 1.00 0.00 C ATOM 241 CD2 TYR A 16 4.047 8.821 12.040 1.00 0.00 C ATOM 242 CE1 TYR A 16 4.681 10.728 13.977 1.00 0.00 C ATOM 243 CE2 TYR A 16 4.909 8.498 13.147 1.00 0.00 C ATOM 244 CZ TYR A 16 5.184 9.467 14.061 1.00 0.00 C ATOM 245 OH TYR A 16 5.998 9.161 15.106 1.00 0.00 O ATOM 0 H TYR A 16 0.614 9.075 11.328 1.00 0.00 H new ATOM 0 HA TYR A 16 1.393 11.886 11.860 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.407 9.528 10.176 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.125 11.124 10.084 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.406 12.045 12.779 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.813 8.070 11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.923 11.470 14.724 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.328 7.508 13.249 1.00 0.00 H new ATOM 0 HH TYR A 16 6.281 8.225 15.037 1.00 0.00 H new ATOM 255 N LYS A 17 -0.579 11.010 9.614 1.00 0.00 N ATOM 256 CA LYS A 17 -1.401 11.486 8.515 1.00 0.00 C ATOM 257 C LYS A 17 -0.747 11.097 7.187 1.00 0.00 C ATOM 258 O LYS A 17 -0.914 11.787 6.183 1.00 0.00 O ATOM 259 CB LYS A 17 -1.665 12.986 8.654 1.00 0.00 C ATOM 260 CG LYS A 17 -3.157 13.296 8.513 1.00 0.00 C ATOM 261 CD LYS A 17 -3.582 13.291 7.044 1.00 0.00 C ATOM 262 CE LYS A 17 -5.031 13.758 6.890 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.159 15.184 7.268 1.00 0.00 N ATOM 0 H LYS A 17 -0.957 10.204 10.112 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.381 11.010 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.308 13.333 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.104 13.530 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.739 12.559 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.373 14.269 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.923 13.942 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.474 12.287 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.357 13.618 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.684 13.150 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.037 15.572 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.185 15.267 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.345 15.715 6.899 1.00 0.00 H new ATOM 277 N ARG A 18 -0.015 9.993 7.226 1.00 0.00 N ATOM 278 CA ARG A 18 0.613 9.469 6.025 1.00 0.00 C ATOM 279 C ARG A 18 1.195 8.080 6.294 1.00 0.00 C ATOM 280 O ARG A 18 1.207 7.618 7.433 1.00 0.00 O ATOM 281 CB ARG A 18 1.728 10.397 5.537 1.00 0.00 C ATOM 282 CG ARG A 18 2.667 10.774 6.684 1.00 0.00 C ATOM 283 CD ARG A 18 3.882 11.548 6.165 1.00 0.00 C ATOM 284 NE ARG A 18 4.814 11.831 7.279 1.00 0.00 N ATOM 285 CZ ARG A 18 4.601 12.762 8.219 1.00 0.00 C ATOM 286 NH1 ARG A 18 3.529 13.561 8.140 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.461 12.894 9.238 1.00 0.00 N ATOM 0 H ARG A 18 0.157 9.447 8.070 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.152 9.402 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.294 9.907 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.293 11.299 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.130 11.379 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.998 9.872 7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.390 10.970 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.559 12.481 5.704 1.00 0.00 H new ATOM 0 HE ARG A 18 5.672 11.283 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.874 13.461 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.367 14.270 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.278 12.286 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.299 13.603 9.954 1.00 0.00 H new ATOM 301 N LEU A 19 1.664 7.453 5.225 1.00 0.00 N ATOM 302 CA LEU A 19 2.328 6.166 5.343 1.00 0.00 C ATOM 303 C LEU A 19 3.585 6.322 6.201 1.00 0.00 C ATOM 304 O LEU A 19 4.043 7.438 6.440 1.00 0.00 O ATOM 305 CB LEU A 19 2.598 5.574 3.959 1.00 0.00 C ATOM 306 CG LEU A 19 1.389 4.978 3.236 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.731 4.634 1.785 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.835 3.771 3.996 1.00 0.00 C ATOM 0 H LEU A 19 1.597 7.813 4.273 1.00 0.00 H new ATOM 0 HA LEU A 19 1.682 5.449 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.024 6.355 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.355 4.797 4.060 1.00 0.00 H new ATOM 0 HG LEU A 19 0.602 5.732 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.854 4.212 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.041 5.538 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.543 3.907 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.024 3.367 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.607 3.005 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.527 4.080 4.995 1.00 0.00 H new ATOM 320 N PRO A 20 4.120 5.156 6.654 1.00 0.00 N ATOM 321 CA PRO A 20 5.454 5.119 7.229 1.00 0.00 C ATOM 322 C PRO A 20 6.524 5.228 6.141 1.00 0.00 C ATOM 323 O PRO A 20 6.224 5.095 4.955 1.00 0.00 O ATOM 324 CB PRO A 20 5.516 3.806 7.993 1.00 0.00 C ATOM 325 CG PRO A 20 4.391 2.947 7.438 1.00 0.00 C ATOM 326 CD PRO A 20 3.472 3.848 6.629 1.00 0.00 C ATOM 0 HA PRO A 20 5.649 5.961 7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.482 3.320 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.390 3.971 9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.792 2.150 6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.840 2.469 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.357 3.483 5.609 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.475 3.892 7.066 1.00 0.00 H new ATOM 334 N ASP A 21 7.749 5.470 6.583 1.00 0.00 N ATOM 335 CA ASP A 21 8.813 5.849 5.669 1.00 0.00 C ATOM 336 C ASP A 21 9.510 4.589 5.154 1.00 0.00 C ATOM 337 O ASP A 21 10.511 4.674 4.445 1.00 0.00 O ATOM 338 CB ASP A 21 9.860 6.715 6.372 1.00 0.00 C ATOM 339 CG ASP A 21 10.903 7.347 5.447 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.475 8.007 4.476 1.00 0.00 O ATOM 341 OD2 ASP A 21 12.105 7.155 5.733 1.00 0.00 O ATOM 0 H ASP A 21 8.029 5.411 7.562 1.00 0.00 H new ATOM 0 HA ASP A 21 8.369 6.414 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.348 7.510 6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.376 6.105 7.113 1.00 0.00 H new ATOM 346 N ASN A 22 8.954 3.447 5.532 1.00 0.00 N ATOM 347 CA ASN A 22 9.476 2.172 5.072 1.00 0.00 C ATOM 348 C ASN A 22 8.981 1.906 3.649 1.00 0.00 C ATOM 349 O ASN A 22 9.440 0.973 2.992 1.00 0.00 O ATOM 350 CB ASN A 22 8.993 1.025 5.962 1.00 0.00 C ATOM 351 CG ASN A 22 7.465 0.949 5.978 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.769 1.831 5.501 1.00 0.00 O ATOM 353 ND2 ASN A 22 6.984 -0.150 6.551 1.00 0.00 N ATOM 0 H ASN A 22 8.147 3.379 6.152 1.00 0.00 H new ATOM 0 HA ASN A 22 10.564 2.222 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.404 0.082 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.364 1.166 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.976 -0.294 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.623 -0.849 6.930 1.00 0.00 H new ATOM 360 N TYR A 23 8.050 2.743 3.214 1.00 0.00 N ATOM 361 CA TYR A 23 7.525 2.642 1.863 1.00 0.00 C ATOM 362 C TYR A 23 7.933 3.854 1.024 1.00 0.00 C ATOM 363 O TYR A 23 7.685 4.995 1.412 1.00 0.00 O ATOM 364 CB TYR A 23 6.001 2.624 2.004 1.00 0.00 C ATOM 365 CG TYR A 23 5.466 1.450 2.826 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.097 0.225 2.771 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.351 1.617 3.623 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.593 -0.880 3.545 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.847 0.512 4.396 1.00 0.00 C ATOM 370 CZ TYR A 23 4.493 -0.682 4.319 1.00 0.00 C ATOM 371 OH TYR A 23 4.017 -1.726 5.050 1.00 0.00 O ATOM 0 H TYR A 23 7.646 3.494 3.774 1.00 0.00 H new ATOM 0 HA TYR A 23 7.910 1.751 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.678 3.556 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.555 2.592 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.969 0.094 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.857 2.576 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.078 -1.844 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.975 0.629 5.023 1.00 0.00 H new ATOM 0 HH TYR A 23 3.546 -2.351 4.460 1.00 0.00 H new ATOM 381 N ILE A 24 8.553 3.566 -0.111 1.00 0.00 N ATOM 382 CA ILE A 24 8.744 4.577 -1.137 1.00 0.00 C ATOM 383 C ILE A 24 7.777 4.313 -2.293 1.00 0.00 C ATOM 384 O ILE A 24 7.161 3.250 -2.362 1.00 0.00 O ATOM 385 CB ILE A 24 10.211 4.636 -1.565 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.661 3.303 -2.168 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.105 5.068 -0.400 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.958 3.471 -2.962 1.00 0.00 C ATOM 0 H ILE A 24 8.930 2.647 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 24 8.510 5.567 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 24 10.309 5.392 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.809 2.572 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.879 2.912 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.143 5.102 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.801 6.057 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.008 4.353 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.256 2.509 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.800 4.185 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.744 3.839 -2.302 1.00 0.00 H new ATOM 400 N THR A 25 7.673 5.298 -3.173 1.00 0.00 N ATOM 401 CA THR A 25 6.799 5.182 -4.328 1.00 0.00 C ATOM 402 C THR A 25 7.501 4.419 -5.453 1.00 0.00 C ATOM 403 O THR A 25 8.723 4.283 -5.447 1.00 0.00 O ATOM 404 CB THR A 25 6.359 6.591 -4.731 1.00 0.00 C ATOM 405 OG1 THR A 25 7.461 7.417 -4.366 1.00 0.00 O ATOM 406 CG2 THR A 25 5.203 7.111 -3.875 1.00 0.00 C ATOM 0 H THR A 25 8.180 6.181 -3.109 1.00 0.00 H new ATOM 0 HA THR A 25 5.906 4.602 -4.093 1.00 0.00 H new ATOM 0 HB THR A 25 6.062 6.592 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.261 8.349 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.930 8.114 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.344 6.448 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.510 7.142 -2.829 1.00 0.00 H new ATOM 414 N LYS A 26 6.697 3.941 -6.391 1.00 0.00 N ATOM 415 CA LYS A 26 7.233 3.294 -7.577 1.00 0.00 C ATOM 416 C LYS A 26 8.249 4.223 -8.245 1.00 0.00 C ATOM 417 O LYS A 26 9.306 3.776 -8.688 1.00 0.00 O ATOM 418 CB LYS A 26 6.099 2.853 -8.505 1.00 0.00 C ATOM 419 CG LYS A 26 5.312 1.691 -7.896 1.00 0.00 C ATOM 420 CD LYS A 26 4.006 1.455 -8.658 1.00 0.00 C ATOM 421 CE LYS A 26 4.242 0.582 -9.892 1.00 0.00 C ATOM 422 NZ LYS A 26 4.248 -0.850 -9.520 1.00 0.00 N ATOM 0 H LYS A 26 5.679 3.989 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 26 7.765 2.382 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.429 3.693 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.509 2.553 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.918 0.786 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.093 1.904 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.280 0.975 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.579 2.411 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.463 0.769 -10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.192 0.847 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.409 -1.429 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.007 -1.027 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.332 -1.103 -9.098 1.00 0.00 H new ATOM 436 N SER A 27 7.892 5.498 -8.296 1.00 0.00 N ATOM 437 CA SER A 27 8.708 6.475 -8.997 1.00 0.00 C ATOM 438 C SER A 27 10.113 6.513 -8.394 1.00 0.00 C ATOM 439 O SER A 27 11.099 6.656 -9.115 1.00 0.00 O ATOM 440 CB SER A 27 8.069 7.865 -8.944 1.00 0.00 C ATOM 441 OG SER A 27 6.735 7.859 -9.443 1.00 0.00 O ATOM 0 H SER A 27 7.049 5.877 -7.864 1.00 0.00 H new ATOM 0 HA SER A 27 8.777 6.176 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.069 8.225 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.671 8.563 -9.526 1.00 0.00 H new ATOM 0 HG SER A 27 6.362 8.764 -9.391 1.00 0.00 H new ATOM 447 N GLN A 28 10.160 6.382 -7.076 1.00 0.00 N ATOM 448 CA GLN A 28 11.414 6.521 -6.355 1.00 0.00 C ATOM 449 C GLN A 28 12.297 5.292 -6.584 1.00 0.00 C ATOM 450 O GLN A 28 13.488 5.423 -6.862 1.00 0.00 O ATOM 451 CB GLN A 28 11.166 6.747 -4.862 1.00 0.00 C ATOM 452 CG GLN A 28 10.538 8.120 -4.613 1.00 0.00 C ATOM 453 CD GLN A 28 11.593 9.226 -4.683 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.762 8.989 -4.941 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.117 10.444 -4.440 1.00 0.00 N ATOM 0 H GLN A 28 9.350 6.181 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 28 11.937 7.397 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.509 5.967 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.107 6.669 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.760 8.307 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.057 8.132 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.127 10.572 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.742 11.250 -4.463 1.00 0.00 H new ATOM 464 N ALA A 29 11.678 4.127 -6.458 1.00 0.00 N ATOM 465 CA ALA A 29 12.360 2.881 -6.766 1.00 0.00 C ATOM 466 C ALA A 29 12.947 2.962 -8.177 1.00 0.00 C ATOM 467 O ALA A 29 14.094 2.577 -8.398 1.00 0.00 O ATOM 468 CB ALA A 29 11.385 1.713 -6.606 1.00 0.00 C ATOM 0 H ALA A 29 10.712 4.020 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 29 13.186 2.713 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.896 0.778 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.019 1.683 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.544 1.845 -7.287 1.00 0.00 H new ATOM 474 N SER A 30 12.133 3.464 -9.094 1.00 0.00 N ATOM 475 CA SER A 30 12.499 3.463 -10.500 1.00 0.00 C ATOM 476 C SER A 30 13.692 4.394 -10.731 1.00 0.00 C ATOM 477 O SER A 30 14.589 4.077 -11.510 1.00 0.00 O ATOM 478 CB SER A 30 11.319 3.886 -11.377 1.00 0.00 C ATOM 479 OG SER A 30 10.630 2.764 -11.922 1.00 0.00 O ATOM 0 H SER A 30 11.221 3.874 -8.891 1.00 0.00 H new ATOM 0 HA SER A 30 12.779 2.447 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.626 4.486 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.679 4.520 -12.188 1.00 0.00 H new ATOM 0 HG SER A 30 10.553 2.064 -11.240 1.00 0.00 H new ATOM 485 N ALA A 31 13.662 5.524 -10.040 1.00 0.00 N ATOM 486 CA ALA A 31 14.747 6.486 -10.133 1.00 0.00 C ATOM 487 C ALA A 31 16.051 5.823 -9.687 1.00 0.00 C ATOM 488 O ALA A 31 17.110 6.083 -10.256 1.00 0.00 O ATOM 489 CB ALA A 31 14.406 7.722 -9.298 1.00 0.00 C ATOM 0 H ALA A 31 12.904 5.795 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 31 14.881 6.815 -11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.220 8.444 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.488 8.173 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.267 7.431 -8.257 1.00 0.00 H new ATOM 495 N LEU A 32 15.932 4.979 -8.673 1.00 0.00 N ATOM 496 CA LEU A 32 17.093 4.301 -8.123 1.00 0.00 C ATOM 497 C LEU A 32 17.543 3.204 -9.090 1.00 0.00 C ATOM 498 O LEU A 32 18.687 2.756 -9.036 1.00 0.00 O ATOM 499 CB LEU A 32 16.797 3.792 -6.710 1.00 0.00 C ATOM 500 CG LEU A 32 16.573 4.866 -5.644 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.866 4.283 -4.419 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.889 5.553 -5.273 1.00 0.00 C ATOM 0 H LEU A 32 15.049 4.749 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 32 17.926 4.996 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.911 3.159 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.626 3.160 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 32 15.917 5.630 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.719 5.067 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.898 3.878 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.476 3.488 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.702 6.312 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.588 4.813 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.316 6.024 -6.159 1.00 0.00 H new ATOM 514 N GLY A 33 16.620 2.804 -9.952 1.00 0.00 N ATOM 515 CA GLY A 33 16.971 1.975 -11.093 1.00 0.00 C ATOM 516 C GLY A 33 16.324 0.593 -10.986 1.00 0.00 C ATOM 517 O GLY A 33 16.715 -0.335 -11.692 1.00 0.00 O ATOM 0 H GLY A 33 15.630 3.038 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.648 2.461 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.054 1.870 -11.151 1.00 0.00 H new ATOM 521 N TRP A 34 15.346 0.499 -10.097 1.00 0.00 N ATOM 522 CA TRP A 34 14.450 -0.645 -10.088 1.00 0.00 C ATOM 523 C TRP A 34 13.744 -0.703 -11.443 1.00 0.00 C ATOM 524 O TRP A 34 13.422 0.332 -12.025 1.00 0.00 O ATOM 525 CB TRP A 34 13.478 -0.570 -8.909 1.00 0.00 C ATOM 526 CG TRP A 34 12.239 -1.454 -9.067 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.168 -2.792 -9.014 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.888 -1.007 -9.308 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.875 -3.237 -9.203 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.072 -2.117 -9.386 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.373 0.293 -9.454 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.693 -2.040 -9.614 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.993 0.353 -9.680 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.157 -0.755 -9.762 1.00 0.00 C ATOM 0 H TRP A 34 15.154 1.196 -9.378 1.00 0.00 H new ATOM 0 HA TRP A 34 15.007 -1.571 -9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.004 -0.858 -7.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.160 0.464 -8.779 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.015 -3.440 -8.845 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.566 -4.209 -9.208 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.993 1.175 -9.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.076 -2.924 -9.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.546 1.329 -9.799 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.100 -0.625 -9.939 1.00 0.00 H new ATOM 545 N VAL A 35 13.522 -1.924 -11.907 1.00 0.00 N ATOM 546 CA VAL A 35 12.677 -2.141 -13.069 1.00 0.00 C ATOM 547 C VAL A 35 11.597 -3.169 -12.724 1.00 0.00 C ATOM 548 O VAL A 35 11.858 -4.130 -12.000 1.00 0.00 O ATOM 549 CB VAL A 35 13.532 -2.553 -14.269 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.709 -2.539 -15.559 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.766 -1.657 -14.396 1.00 0.00 C ATOM 0 H VAL A 35 13.913 -2.773 -11.499 1.00 0.00 H new ATOM 0 HA VAL A 35 12.170 -1.218 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 35 13.875 -3.574 -14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.340 -2.836 -16.397 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.877 -3.237 -15.467 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.323 -1.535 -15.733 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.357 -1.971 -15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.452 -0.622 -14.530 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.370 -1.739 -13.492 1.00 0.00 H new ATOM 561 N ALA A 36 10.408 -2.933 -13.258 1.00 0.00 N ATOM 562 CA ALA A 36 9.279 -3.807 -12.986 1.00 0.00 C ATOM 563 C ALA A 36 9.290 -4.971 -13.979 1.00 0.00 C ATOM 564 O ALA A 36 8.302 -5.209 -14.671 1.00 0.00 O ATOM 565 CB ALA A 36 7.981 -2.998 -13.049 1.00 0.00 C ATOM 0 H ALA A 36 10.202 -2.149 -13.878 1.00 0.00 H new ATOM 0 HA ALA A 36 9.352 -4.229 -11.984 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.134 -3.653 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.012 -2.202 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.872 -2.562 -14.042 1.00 0.00 H new ATOM 571 N SER A 37 10.418 -5.664 -14.016 1.00 0.00 N ATOM 572 CA SER A 37 10.602 -6.743 -14.972 1.00 0.00 C ATOM 573 C SER A 37 11.810 -7.594 -14.575 1.00 0.00 C ATOM 574 O SER A 37 11.694 -8.808 -14.419 1.00 0.00 O ATOM 575 CB SER A 37 10.780 -6.197 -16.390 1.00 0.00 C ATOM 576 OG SER A 37 9.563 -5.680 -16.921 1.00 0.00 O ATOM 0 H SER A 37 11.214 -5.500 -13.400 1.00 0.00 H new ATOM 0 HA SER A 37 9.708 -7.366 -14.961 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.535 -5.411 -16.383 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.151 -6.990 -17.040 1.00 0.00 H new ATOM 0 HG SER A 37 8.849 -5.776 -16.256 1.00 0.00 H new ATOM 582 N LYS A 38 12.942 -6.922 -14.423 1.00 0.00 N ATOM 583 CA LYS A 38 14.154 -7.590 -13.978 1.00 0.00 C ATOM 584 C LYS A 38 14.768 -6.803 -12.818 1.00 0.00 C ATOM 585 O LYS A 38 14.534 -5.603 -12.685 1.00 0.00 O ATOM 586 CB LYS A 38 15.111 -7.801 -15.153 1.00 0.00 C ATOM 587 CG LYS A 38 14.504 -8.746 -16.192 1.00 0.00 C ATOM 588 CD LYS A 38 15.502 -9.044 -17.312 1.00 0.00 C ATOM 589 CE LYS A 38 14.891 -9.978 -18.357 1.00 0.00 C ATOM 590 NZ LYS A 38 15.867 -10.262 -19.433 1.00 0.00 N ATOM 0 H LYS A 38 13.046 -5.923 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 38 13.924 -8.587 -13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.339 -6.842 -15.618 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.053 -8.211 -14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.204 -9.677 -15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.603 -8.299 -16.612 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.809 -8.112 -17.787 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.399 -9.499 -16.893 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.581 -10.910 -17.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.996 -9.523 -18.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.436 -10.898 -20.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.142 -9.372 -19.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.710 -10.716 -19.026 1.00 0.00 H new ATOM 604 N GLY A 39 15.541 -7.512 -12.009 1.00 0.00 N ATOM 605 CA GLY A 39 16.155 -6.905 -10.840 1.00 0.00 C ATOM 606 C GLY A 39 15.126 -6.691 -9.728 1.00 0.00 C ATOM 607 O GLY A 39 14.288 -5.796 -9.817 1.00 0.00 O ATOM 0 H GLY A 39 15.756 -8.500 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.961 -7.542 -10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.603 -5.950 -11.115 1.00 0.00 H new ATOM 611 N ASN A 40 15.224 -7.529 -8.706 1.00 0.00 N ATOM 612 CA ASN A 40 14.306 -7.449 -7.582 1.00 0.00 C ATOM 613 C ASN A 40 14.512 -6.117 -6.857 1.00 0.00 C ATOM 614 O ASN A 40 15.515 -5.439 -7.069 1.00 0.00 O ATOM 615 CB ASN A 40 14.562 -8.577 -6.581 1.00 0.00 C ATOM 616 CG ASN A 40 16.003 -8.539 -6.068 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.947 -8.869 -6.767 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.119 -8.119 -4.811 1.00 0.00 N ATOM 0 H ASN A 40 15.925 -8.266 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 40 13.290 -7.534 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.871 -8.487 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.366 -9.539 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.040 -8.058 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.287 -7.858 -4.282 1.00 0.00 H new ATOM 625 N LEU A 41 13.544 -5.783 -6.015 1.00 0.00 N ATOM 626 CA LEU A 41 13.479 -4.450 -5.442 1.00 0.00 C ATOM 627 C LEU A 41 14.675 -4.240 -4.512 1.00 0.00 C ATOM 628 O LEU A 41 15.459 -3.311 -4.702 1.00 0.00 O ATOM 629 CB LEU A 41 12.126 -4.225 -4.763 1.00 0.00 C ATOM 630 CG LEU A 41 11.746 -2.767 -4.492 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.661 -1.971 -5.796 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.451 -2.680 -3.682 1.00 0.00 C ATOM 0 H LEU A 41 12.799 -6.413 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 41 13.547 -3.695 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.351 -4.672 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.124 -4.763 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 41 12.534 -2.315 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.389 -0.939 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.628 -1.992 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.905 -2.414 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.203 -1.634 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.642 -3.155 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.584 -3.190 -2.728 1.00 0.00 H new ATOM 644 N ALA A 42 14.779 -5.119 -3.526 1.00 0.00 N ATOM 645 CA ALA A 42 15.698 -4.900 -2.422 1.00 0.00 C ATOM 646 C ALA A 42 17.110 -4.692 -2.973 1.00 0.00 C ATOM 647 O ALA A 42 17.934 -4.029 -2.345 1.00 0.00 O ATOM 648 CB ALA A 42 15.619 -6.079 -1.450 1.00 0.00 C ATOM 0 H ALA A 42 14.242 -5.984 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 42 15.425 -4.002 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.308 -5.915 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.603 -6.165 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.889 -6.998 -1.970 1.00 0.00 H new ATOM 654 N GLU A 43 17.346 -5.271 -4.141 1.00 0.00 N ATOM 655 CA GLU A 43 18.647 -5.165 -4.780 1.00 0.00 C ATOM 656 C GLU A 43 19.028 -3.696 -4.967 1.00 0.00 C ATOM 657 O GLU A 43 20.128 -3.284 -4.600 1.00 0.00 O ATOM 658 CB GLU A 43 18.664 -5.911 -6.115 1.00 0.00 C ATOM 659 CG GLU A 43 20.047 -5.837 -6.767 1.00 0.00 C ATOM 660 CD GLU A 43 20.098 -6.681 -8.042 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.326 -6.354 -8.970 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.907 -7.633 -8.061 1.00 0.00 O ATOM 0 H GLU A 43 16.658 -5.815 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 43 19.388 -5.632 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.388 -6.954 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.919 -5.482 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.287 -4.800 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.803 -6.187 -6.064 1.00 0.00 H new ATOM 669 N VAL A 44 18.098 -2.944 -5.537 1.00 0.00 N ATOM 670 CA VAL A 44 18.406 -1.607 -6.016 1.00 0.00 C ATOM 671 C VAL A 44 18.002 -0.584 -4.952 1.00 0.00 C ATOM 672 O VAL A 44 18.671 0.433 -4.778 1.00 0.00 O ATOM 673 CB VAL A 44 17.728 -1.366 -7.366 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.050 0.032 -7.900 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.121 -2.444 -8.378 1.00 0.00 C ATOM 0 H VAL A 44 17.131 -3.235 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 44 19.478 -1.497 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 44 16.650 -1.427 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.556 0.177 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.696 0.782 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.128 0.133 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.625 -2.249 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.201 -2.431 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.817 -3.422 -8.004 1.00 0.00 H new ATOM 685 N ALA A 45 16.908 -0.889 -4.269 1.00 0.00 N ATOM 686 CA ALA A 45 16.463 -0.061 -3.161 1.00 0.00 C ATOM 687 C ALA A 45 16.240 -0.942 -1.930 1.00 0.00 C ATOM 688 O ALA A 45 15.124 -1.395 -1.680 1.00 0.00 O ATOM 689 CB ALA A 45 15.202 0.702 -3.568 1.00 0.00 C ATOM 0 H ALA A 45 16.317 -1.698 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 45 17.222 0.678 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.868 1.323 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.421 1.334 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.416 -0.007 -3.830 1.00 0.00 H new ATOM 695 N PRO A 46 17.348 -1.164 -1.173 1.00 0.00 N ATOM 696 CA PRO A 46 17.301 -2.041 -0.015 1.00 0.00 C ATOM 697 C PRO A 46 16.594 -1.361 1.159 1.00 0.00 C ATOM 698 O PRO A 46 16.810 -0.178 1.417 1.00 0.00 O ATOM 699 CB PRO A 46 18.753 -2.380 0.281 1.00 0.00 C ATOM 700 CG PRO A 46 19.581 -1.318 -0.425 1.00 0.00 C ATOM 701 CD PRO A 46 18.671 -0.589 -1.399 1.00 0.00 C ATOM 0 HA PRO A 46 16.724 -2.948 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.944 -2.375 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 46 19.003 -3.376 -0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.003 -0.620 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.418 -1.775 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.673 0.485 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.996 -0.735 -2.429 1.00 0.00 H new ATOM 709 N GLY A 47 15.763 -2.138 1.838 1.00 0.00 N ATOM 710 CA GLY A 47 15.291 -1.756 3.158 1.00 0.00 C ATOM 711 C GLY A 47 14.053 -0.862 3.060 1.00 0.00 C ATOM 712 O GLY A 47 13.747 -0.115 3.988 1.00 0.00 O ATOM 0 H GLY A 47 15.404 -3.031 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.054 -2.649 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.082 -1.231 3.693 1.00 0.00 H new ATOM 716 N LYS A 48 13.375 -0.967 1.927 1.00 0.00 N ATOM 717 CA LYS A 48 12.094 -0.302 1.756 1.00 0.00 C ATOM 718 C LYS A 48 11.275 -1.045 0.699 1.00 0.00 C ATOM 719 O LYS A 48 11.834 -1.730 -0.156 1.00 0.00 O ATOM 720 CB LYS A 48 12.299 1.182 1.444 1.00 0.00 C ATOM 721 CG LYS A 48 13.225 1.367 0.241 1.00 0.00 C ATOM 722 CD LYS A 48 14.626 1.792 0.687 1.00 0.00 C ATOM 723 CE LYS A 48 14.773 3.314 0.653 1.00 0.00 C ATOM 724 NZ LYS A 48 13.996 3.934 1.749 1.00 0.00 N ATOM 0 H LYS A 48 13.689 -1.503 1.118 1.00 0.00 H new ATOM 0 HA LYS A 48 11.522 -0.334 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.336 1.651 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.722 1.685 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.286 0.436 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.809 2.119 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.817 1.427 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.373 1.336 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.824 3.586 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.428 3.697 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.200 4.953 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.980 3.790 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.261 3.495 2.654 1.00 0.00 H new ATOM 738 N SER A 49 9.963 -0.884 0.793 1.00 0.00 N ATOM 739 CA SER A 49 9.064 -1.496 -0.170 1.00 0.00 C ATOM 740 C SER A 49 8.321 -0.412 -0.954 1.00 0.00 C ATOM 741 O SER A 49 8.631 0.771 -0.830 1.00 0.00 O ATOM 742 CB SER A 49 8.067 -2.428 0.522 1.00 0.00 C ATOM 743 OG SER A 49 8.678 -3.184 1.564 1.00 0.00 O ATOM 0 H SER A 49 9.502 -0.339 1.521 1.00 0.00 H new ATOM 0 HA SER A 49 9.658 -2.093 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.247 -1.840 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.635 -3.107 -0.213 1.00 0.00 H new ATOM 0 HG SER A 49 8.508 -4.138 1.419 1.00 0.00 H new ATOM 749 N ILE A 50 7.354 -0.856 -1.745 1.00 0.00 N ATOM 750 CA ILE A 50 6.466 0.066 -2.431 1.00 0.00 C ATOM 751 C ILE A 50 5.328 0.467 -1.489 1.00 0.00 C ATOM 752 O ILE A 50 4.901 -0.327 -0.653 1.00 0.00 O ATOM 753 CB ILE A 50 5.986 -0.535 -3.753 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.169 -1.011 -4.600 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.097 0.451 -4.514 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.161 0.128 -4.845 1.00 0.00 C ATOM 0 H ILE A 50 7.167 -1.842 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 50 6.998 0.979 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 50 5.377 -1.410 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.673 -1.835 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.807 -1.394 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.770 -0.002 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.226 0.699 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.661 1.359 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.992 -0.237 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.659 0.941 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.539 0.493 -3.890 1.00 0.00 H new ATOM 768 N GLY A 51 4.870 1.699 -1.657 1.00 0.00 N ATOM 769 CA GLY A 51 3.578 2.096 -1.124 1.00 0.00 C ATOM 770 C GLY A 51 3.275 3.559 -1.454 1.00 0.00 C ATOM 771 O GLY A 51 4.166 4.307 -1.852 1.00 0.00 O ATOM 0 H GLY A 51 5.371 2.435 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.798 1.457 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.567 1.953 -0.043 1.00 0.00 H new ATOM 775 N GLY A 52 2.013 3.923 -1.276 1.00 0.00 N ATOM 776 CA GLY A 52 1.593 5.296 -1.496 1.00 0.00 C ATOM 777 C GLY A 52 1.242 5.533 -2.966 1.00 0.00 C ATOM 778 O GLY A 52 1.044 6.673 -3.385 1.00 0.00 O ATOM 0 H GLY A 52 1.268 3.291 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.728 5.520 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.389 5.976 -1.194 1.00 0.00 H new ATOM 782 N ASP A 53 1.175 4.439 -3.709 1.00 0.00 N ATOM 783 CA ASP A 53 0.807 4.509 -5.113 1.00 0.00 C ATOM 784 C ASP A 53 -0.682 4.186 -5.262 1.00 0.00 C ATOM 785 O ASP A 53 -1.285 3.597 -4.367 1.00 0.00 O ATOM 786 CB ASP A 53 1.596 3.493 -5.941 1.00 0.00 C ATOM 787 CG ASP A 53 3.117 3.607 -5.827 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.650 3.100 -4.816 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.713 4.198 -6.752 1.00 0.00 O ATOM 0 H ASP A 53 1.369 3.498 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 53 1.029 5.515 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.298 2.490 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.316 3.605 -6.988 1.00 0.00 H new ATOM 794 N VAL A 54 -1.230 4.587 -6.399 1.00 0.00 N ATOM 795 CA VAL A 54 -2.672 4.702 -6.535 1.00 0.00 C ATOM 796 C VAL A 54 -3.267 3.318 -6.803 1.00 0.00 C ATOM 797 O VAL A 54 -2.627 2.474 -7.430 1.00 0.00 O ATOM 798 CB VAL A 54 -3.016 5.721 -7.622 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.522 5.993 -7.662 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.230 7.019 -7.426 1.00 0.00 C ATOM 0 H VAL A 54 -0.701 4.836 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.114 5.072 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.726 5.296 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.740 6.721 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.054 5.065 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.846 6.387 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.494 7.726 -8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.474 7.449 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.162 6.808 -7.471 1.00 0.00 H new ATOM 810 N PHE A 55 -4.484 3.127 -6.316 1.00 0.00 N ATOM 811 CA PHE A 55 -5.009 1.787 -6.117 1.00 0.00 C ATOM 812 C PHE A 55 -5.642 1.249 -7.402 1.00 0.00 C ATOM 813 O PHE A 55 -5.925 0.056 -7.506 1.00 0.00 O ATOM 814 CB PHE A 55 -6.085 1.884 -5.034 1.00 0.00 C ATOM 815 CG PHE A 55 -6.996 0.658 -4.950 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.491 -0.537 -4.540 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.310 0.762 -5.283 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.337 -1.675 -4.462 1.00 0.00 C ATOM 819 CE2 PHE A 55 -9.155 -0.376 -5.205 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.651 -1.571 -4.796 1.00 0.00 C ATOM 0 H PHE A 55 -5.122 3.878 -6.053 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.203 1.111 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.602 2.031 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.697 2.766 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.448 -0.620 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.711 1.711 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.936 -2.624 -4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.199 -0.293 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.294 -2.437 -4.737 1.00 0.00 H new ATOM 830 N SER A 56 -5.845 2.154 -8.347 1.00 0.00 N ATOM 831 CA SER A 56 -6.662 1.851 -9.510 1.00 0.00 C ATOM 832 C SER A 56 -8.076 1.467 -9.072 1.00 0.00 C ATOM 833 O SER A 56 -8.404 0.285 -8.986 1.00 0.00 O ATOM 834 CB SER A 56 -6.040 0.727 -10.341 1.00 0.00 C ATOM 835 OG SER A 56 -6.664 0.597 -11.616 1.00 0.00 O ATOM 0 H SER A 56 -5.458 3.098 -8.332 1.00 0.00 H new ATOM 0 HA SER A 56 -6.713 2.743 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.976 0.922 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.125 -0.214 -9.798 1.00 0.00 H new ATOM 0 HG SER A 56 -6.238 -0.130 -12.116 1.00 0.00 H new ATOM 841 N ASN A 57 -8.876 2.489 -8.805 1.00 0.00 N ATOM 842 CA ASN A 57 -10.291 2.283 -8.547 1.00 0.00 C ATOM 843 C ASN A 57 -11.014 2.024 -9.871 1.00 0.00 C ATOM 844 O ASN A 57 -10.386 1.985 -10.928 1.00 0.00 O ATOM 845 CB ASN A 57 -10.919 3.520 -7.901 1.00 0.00 C ATOM 846 CG ASN A 57 -10.527 3.626 -6.426 1.00 0.00 C ATOM 847 OD1 ASN A 57 -9.740 4.469 -6.025 1.00 0.00 O ATOM 848 ND2 ASN A 57 -11.117 2.728 -5.643 1.00 0.00 N ATOM 0 H ASN A 57 -8.571 3.461 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.390 1.433 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.596 4.416 -8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.004 3.470 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.921 2.717 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.766 2.050 -6.043 1.00 0.00 H new ATOM 855 N ARG A 58 -12.324 1.853 -9.769 1.00 0.00 N ATOM 856 CA ARG A 58 -13.168 1.816 -10.952 1.00 0.00 C ATOM 857 C ARG A 58 -13.083 0.443 -11.622 1.00 0.00 C ATOM 858 O ARG A 58 -12.842 0.350 -12.824 1.00 0.00 O ATOM 859 CB ARG A 58 -12.754 2.893 -11.957 1.00 0.00 C ATOM 860 CG ARG A 58 -13.924 3.271 -12.868 1.00 0.00 C ATOM 861 CD ARG A 58 -13.443 4.091 -14.066 1.00 0.00 C ATOM 862 NE ARG A 58 -12.680 3.229 -14.997 1.00 0.00 N ATOM 863 CZ ARG A 58 -12.050 3.678 -16.091 1.00 0.00 C ATOM 864 NH1 ARG A 58 -12.135 4.971 -16.430 1.00 0.00 N ATOM 865 NH2 ARG A 58 -11.335 2.833 -16.846 1.00 0.00 N ATOM 0 H ARG A 58 -12.822 1.739 -8.886 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.193 2.006 -10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.403 3.777 -11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.921 2.532 -12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.424 2.368 -13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.660 3.843 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.296 4.531 -14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.817 4.915 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.631 2.231 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.679 5.614 -15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.655 5.312 -17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.270 1.848 -16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.855 3.174 -17.679 1.00 0.00 H new ATOM 879 N GLU A 59 -13.286 -0.587 -10.814 1.00 0.00 N ATOM 880 CA GLU A 59 -13.716 -1.873 -11.336 1.00 0.00 C ATOM 881 C GLU A 59 -14.954 -2.365 -10.583 1.00 0.00 C ATOM 882 O GLU A 59 -15.975 -2.673 -11.195 1.00 0.00 O ATOM 883 CB GLU A 59 -12.585 -2.901 -11.261 1.00 0.00 C ATOM 884 CG GLU A 59 -12.978 -4.202 -11.964 1.00 0.00 C ATOM 885 CD GLU A 59 -11.893 -5.267 -11.794 1.00 0.00 C ATOM 886 OE1 GLU A 59 -10.800 -5.058 -12.362 1.00 0.00 O ATOM 887 OE2 GLU A 59 -12.182 -6.266 -11.100 1.00 0.00 O ATOM 0 H GLU A 59 -13.161 -0.557 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.980 -1.747 -12.386 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.686 -2.492 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.344 -3.106 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.920 -4.569 -11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.142 -4.011 -13.025 1.00 0.00 H new ATOM 894 N GLY A 60 -14.822 -2.422 -9.266 1.00 0.00 N ATOM 895 CA GLY A 60 -15.950 -2.758 -8.414 1.00 0.00 C ATOM 896 C GLY A 60 -15.490 -3.513 -7.166 1.00 0.00 C ATOM 897 O GLY A 60 -15.747 -4.708 -7.029 1.00 0.00 O ATOM 0 H GLY A 60 -13.951 -2.241 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.472 -1.847 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.661 -3.368 -8.971 1.00 0.00 H new ATOM 901 N ARG A 61 -14.818 -2.784 -6.287 1.00 0.00 N ATOM 902 CA ARG A 61 -14.327 -3.368 -5.050 1.00 0.00 C ATOM 903 C ARG A 61 -14.681 -2.471 -3.862 1.00 0.00 C ATOM 904 O ARG A 61 -15.523 -2.828 -3.040 1.00 0.00 O ATOM 905 CB ARG A 61 -12.810 -3.564 -5.098 1.00 0.00 C ATOM 906 CG ARG A 61 -12.420 -4.559 -6.193 1.00 0.00 C ATOM 907 CD ARG A 61 -12.869 -5.976 -5.831 1.00 0.00 C ATOM 908 NE ARG A 61 -12.227 -6.957 -6.734 1.00 0.00 N ATOM 909 CZ ARG A 61 -12.427 -7.003 -8.058 1.00 0.00 C ATOM 910 NH1 ARG A 61 -13.454 -6.337 -8.604 1.00 0.00 N ATOM 911 NH2 ARG A 61 -11.600 -7.714 -8.836 1.00 0.00 N ATOM 0 H ARG A 61 -14.602 -1.794 -6.407 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.804 -4.341 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.322 -2.607 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.455 -3.923 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.873 -4.261 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.340 -4.542 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.607 -6.196 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.953 -6.054 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.592 -7.641 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.083 -5.795 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.606 -6.372 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.818 -8.220 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.752 -7.749 -9.844 1.00 0.00 H new ATOM 925 N LEU A 62 -14.021 -1.323 -3.811 1.00 0.00 N ATOM 926 CA LEU A 62 -14.256 -0.372 -2.738 1.00 0.00 C ATOM 927 C LEU A 62 -14.972 0.857 -3.300 1.00 0.00 C ATOM 928 O LEU A 62 -14.839 1.172 -4.481 1.00 0.00 O ATOM 929 CB LEU A 62 -12.947 -0.045 -2.015 1.00 0.00 C ATOM 930 CG LEU A 62 -12.106 -1.245 -1.577 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.612 -0.957 -1.741 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.454 -1.666 -0.148 1.00 0.00 C ATOM 0 H LEU A 62 -13.324 -1.030 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.911 -0.805 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.340 0.580 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.181 0.551 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.346 -2.086 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.037 -1.826 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.396 -0.742 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.338 -0.097 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.842 -2.521 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.261 -0.837 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.508 -1.940 -0.096 1.00 0.00 H new ATOM 944 N PRO A 63 -15.736 1.538 -2.403 1.00 0.00 N ATOM 945 CA PRO A 63 -16.553 2.664 -2.819 1.00 0.00 C ATOM 946 C PRO A 63 -15.692 3.902 -3.076 1.00 0.00 C ATOM 947 O PRO A 63 -15.194 4.522 -2.138 1.00 0.00 O ATOM 948 CB PRO A 63 -17.554 2.861 -1.692 1.00 0.00 C ATOM 949 CG PRO A 63 -16.970 2.145 -0.486 1.00 0.00 C ATOM 950 CD PRO A 63 -15.840 1.253 -0.975 1.00 0.00 C ATOM 0 HA PRO A 63 -17.066 2.484 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.703 3.920 -1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.527 2.448 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.599 2.866 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.736 1.552 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.907 1.476 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.060 0.201 -0.796 1.00 0.00 H new ATOM 958 N SER A 64 -15.542 4.224 -4.353 1.00 0.00 N ATOM 959 CA SER A 64 -14.924 5.482 -4.739 1.00 0.00 C ATOM 960 C SER A 64 -16.001 6.494 -5.134 1.00 0.00 C ATOM 961 O SER A 64 -17.132 6.117 -5.437 1.00 0.00 O ATOM 962 CB SER A 64 -13.938 5.279 -5.891 1.00 0.00 C ATOM 963 OG SER A 64 -13.272 6.489 -6.242 1.00 0.00 O ATOM 0 H SER A 64 -15.837 3.636 -5.133 1.00 0.00 H new ATOM 0 HA SER A 64 -14.368 5.868 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.200 4.528 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.470 4.893 -6.760 1.00 0.00 H new ATOM 0 HG SER A 64 -13.049 6.987 -5.428 1.00 0.00 H new ATOM 969 N ALA A 65 -15.612 7.761 -5.118 1.00 0.00 N ATOM 970 CA ALA A 65 -16.546 8.834 -5.410 1.00 0.00 C ATOM 971 C ALA A 65 -15.766 10.089 -5.808 1.00 0.00 C ATOM 972 O ALA A 65 -14.540 10.117 -5.717 1.00 0.00 O ATOM 973 CB ALA A 65 -17.450 9.069 -4.197 1.00 0.00 C ATOM 0 H ALA A 65 -14.662 8.068 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.189 8.566 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.151 9.874 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.003 8.157 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.840 9.343 -3.336 1.00 0.00 H new ATOM 979 N SER A 66 -16.510 11.097 -6.240 1.00 0.00 N ATOM 980 CA SER A 66 -15.909 12.370 -6.600 1.00 0.00 C ATOM 981 C SER A 66 -15.217 12.984 -5.381 1.00 0.00 C ATOM 982 O SER A 66 -15.878 13.516 -4.490 1.00 0.00 O ATOM 983 CB SER A 66 -16.956 13.335 -7.158 1.00 0.00 C ATOM 984 OG SER A 66 -17.602 12.811 -8.315 1.00 0.00 O ATOM 0 H SER A 66 -17.523 11.058 -6.349 1.00 0.00 H new ATOM 0 HA SER A 66 -15.168 12.191 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.701 13.545 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.479 14.283 -7.407 1.00 0.00 H new ATOM 0 HG SER A 66 -18.264 13.456 -8.640 1.00 0.00 H new ATOM 990 N GLY A 67 -13.895 12.892 -5.382 1.00 0.00 N ATOM 991 CA GLY A 67 -13.102 13.492 -4.322 1.00 0.00 C ATOM 992 C GLY A 67 -12.503 12.419 -3.411 1.00 0.00 C ATOM 993 O GLY A 67 -11.589 12.697 -2.637 1.00 0.00 O ATOM 0 H GLY A 67 -13.353 12.411 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.303 14.093 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.725 14.167 -3.735 1.00 0.00 H new ATOM 997 N ARG A 68 -13.043 11.215 -3.533 1.00 0.00 N ATOM 998 CA ARG A 68 -12.583 10.102 -2.720 1.00 0.00 C ATOM 999 C ARG A 68 -11.808 9.101 -3.579 1.00 0.00 C ATOM 1000 O ARG A 68 -12.398 8.385 -4.387 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.758 9.387 -2.050 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.270 8.223 -1.184 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.375 7.737 -0.246 1.00 0.00 C ATOM 1004 NE ARG A 68 -15.505 7.194 -1.033 1.00 0.00 N ATOM 1005 CZ ARG A 68 -16.707 6.902 -0.518 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.901 6.959 0.807 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -17.716 6.551 -1.328 1.00 0.00 N ATOM 0 H ARG A 68 -13.795 10.986 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.929 10.505 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.316 10.094 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.444 9.016 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.943 7.402 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.405 8.537 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.985 6.969 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.720 8.560 0.380 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.360 7.032 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.133 7.225 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.816 6.737 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.569 6.506 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.631 6.329 -0.936 1.00 0.00 H new ATOM 1021 N THR A 69 -10.499 9.084 -3.376 1.00 0.00 N ATOM 1022 CA THR A 69 -9.637 8.190 -4.130 1.00 0.00 C ATOM 1023 C THR A 69 -8.836 7.295 -3.182 1.00 0.00 C ATOM 1024 O THR A 69 -8.599 7.660 -2.031 1.00 0.00 O ATOM 1025 CB THR A 69 -8.758 9.043 -5.047 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.645 10.037 -5.552 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.301 8.283 -6.294 1.00 0.00 C ATOM 0 H THR A 69 -10.014 9.675 -2.700 1.00 0.00 H new ATOM 0 HA THR A 69 -10.220 7.511 -4.753 1.00 0.00 H new ATOM 0 HB THR A 69 -7.885 9.389 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.157 10.635 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.681 8.934 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.724 7.408 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.173 7.965 -6.866 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.443 6.141 -3.700 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.889 5.093 -2.859 1.00 0.00 C ATOM 1037 C TRP A 70 -6.414 4.923 -3.225 1.00 0.00 C ATOM 1038 O TRP A 70 -6.033 5.099 -4.381 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.692 3.798 -2.996 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.114 3.886 -2.439 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.154 4.572 -2.933 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.614 3.233 -1.252 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.283 4.410 -2.156 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.944 3.570 -1.101 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.965 2.386 -0.337 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.738 3.105 -0.045 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.771 1.930 0.712 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.111 2.260 0.878 1.00 0.00 C ATOM 0 H TRP A 70 -8.497 5.908 -4.692 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.957 5.367 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.742 3.523 -4.050 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.160 2.997 -2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.114 5.176 -3.827 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.197 4.829 -2.325 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.926 2.109 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.777 3.383 0.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.320 1.276 1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.666 1.866 1.716 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.622 4.583 -2.218 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.201 4.362 -2.425 1.00 0.00 C ATOM 1061 C ARG A 71 -3.750 3.093 -1.700 1.00 0.00 C ATOM 1062 O ARG A 71 -4.239 2.787 -0.613 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.380 5.550 -1.918 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.731 6.826 -2.685 1.00 0.00 C ATOM 1065 CD ARG A 71 -3.217 8.066 -1.950 1.00 0.00 C ATOM 1066 NE ARG A 71 -3.837 9.284 -2.518 1.00 0.00 N ATOM 1067 CZ ARG A 71 -5.128 9.610 -2.368 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -5.916 8.874 -1.573 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -5.630 10.672 -3.012 1.00 0.00 N ATOM 0 H ARG A 71 -5.938 4.455 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.035 4.250 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.566 5.698 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.317 5.336 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.297 6.785 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.812 6.894 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.449 7.991 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.132 8.126 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.244 9.915 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.533 8.066 -1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.899 9.122 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.029 11.233 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.613 10.920 -2.898 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.823 2.387 -2.331 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.412 1.083 -1.839 1.00 0.00 C ATOM 1085 C GLU A 72 -1.038 1.177 -1.172 1.00 0.00 C ATOM 1086 O GLU A 72 -0.335 2.174 -1.329 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.404 0.049 -2.966 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.404 0.434 -4.058 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.893 -0.805 -4.796 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -1.683 -1.767 -4.904 1.00 0.00 O ATOM 1091 OE2 GLU A 72 0.277 -0.761 -5.235 1.00 0.00 O ATOM 0 H GLU A 72 -2.345 2.693 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.135 0.753 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.148 -0.931 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.402 -0.034 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.878 1.114 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.564 0.970 -3.615 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.696 0.125 -0.442 1.00 0.00 N ATOM 1099 CA ALA A 73 0.627 0.022 0.148 1.00 0.00 C ATOM 1100 C ALA A 73 0.918 -1.442 0.484 1.00 0.00 C ATOM 1101 O ALA A 73 0.005 -2.205 0.792 1.00 0.00 O ATOM 1102 CB ALA A 73 0.711 0.930 1.377 1.00 0.00 C ATOM 0 H ALA A 73 -1.313 -0.663 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 73 1.388 0.357 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.704 0.852 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.526 1.962 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.037 0.623 2.108 1.00 0.00 H new ATOM 1108 N ASP A 74 2.195 -1.789 0.414 1.00 0.00 N ATOM 1109 CA ASP A 74 2.602 -3.177 0.557 1.00 0.00 C ATOM 1110 C ASP A 74 2.548 -3.570 2.035 1.00 0.00 C ATOM 1111 O ASP A 74 2.863 -2.762 2.907 1.00 0.00 O ATOM 1112 CB ASP A 74 4.036 -3.384 0.065 1.00 0.00 C ATOM 1113 CG ASP A 74 4.272 -3.034 -1.405 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.324 -2.499 -2.021 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.395 -3.309 -1.881 1.00 0.00 O ATOM 0 H ASP A 74 2.961 -1.133 0.260 1.00 0.00 H new ATOM 0 HA ASP A 74 1.925 -3.790 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.705 -2.781 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.312 -4.427 0.223 1.00 0.00 H new ATOM 1120 N ILE A 75 2.146 -4.810 2.270 1.00 0.00 N ATOM 1121 CA ILE A 75 2.231 -5.385 3.602 1.00 0.00 C ATOM 1122 C ILE A 75 3.041 -6.681 3.542 1.00 0.00 C ATOM 1123 O ILE A 75 2.733 -7.574 2.755 1.00 0.00 O ATOM 1124 CB ILE A 75 0.834 -5.559 4.200 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.037 -4.255 4.123 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.913 -6.098 5.630 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.538 -3.245 5.157 1.00 0.00 C ATOM 0 H ILE A 75 1.760 -5.433 1.560 1.00 0.00 H new ATOM 0 HA ILE A 75 2.759 -4.710 4.276 1.00 0.00 H new ATOM 0 HB ILE A 75 0.298 -6.299 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.123 -3.830 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.020 -4.460 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.094 -6.212 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.415 -7.066 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.474 -5.400 6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.045 -2.327 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.428 -3.663 6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.589 -3.024 4.970 1.00 0.00 H new ATOM 1139 N ASN A 76 4.061 -6.744 4.385 1.00 0.00 N ATOM 1140 CA ASN A 76 4.953 -7.891 4.398 1.00 0.00 C ATOM 1141 C ASN A 76 5.328 -8.255 2.960 1.00 0.00 C ATOM 1142 O ASN A 76 4.924 -9.302 2.456 1.00 0.00 O ATOM 1143 CB ASN A 76 4.276 -9.107 5.033 1.00 0.00 C ATOM 1144 CG ASN A 76 4.261 -8.992 6.559 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.546 -7.969 7.017 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 4.860 -9.780 7.272 1.00 0.00 N flip ATOM 0 H ASN A 76 4.290 -6.019 5.065 1.00 0.00 H new ATOM 0 HA ASN A 76 5.836 -7.626 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.255 -9.195 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.802 -10.015 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.391 -10.544 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.830 -9.675 8.286 1.00 0.00 H new ATOM 1153 N TYR A 77 6.096 -7.371 2.340 1.00 0.00 N ATOM 1154 CA TYR A 77 6.578 -7.614 0.991 1.00 0.00 C ATOM 1155 C TYR A 77 7.802 -6.749 0.682 1.00 0.00 C ATOM 1156 O TYR A 77 7.665 -5.594 0.282 1.00 0.00 O ATOM 1157 CB TYR A 77 5.435 -7.211 0.057 1.00 0.00 C ATOM 1158 CG TYR A 77 5.243 -8.154 -1.133 1.00 0.00 C ATOM 1159 CD1 TYR A 77 6.030 -8.015 -2.258 1.00 0.00 C ATOM 1160 CD2 TYR A 77 4.283 -9.144 -1.081 1.00 0.00 C ATOM 1161 CE1 TYR A 77 5.849 -8.902 -3.378 1.00 0.00 C ATOM 1162 CE2 TYR A 77 4.102 -10.031 -2.200 1.00 0.00 C ATOM 1163 CZ TYR A 77 4.894 -9.867 -3.293 1.00 0.00 C ATOM 1164 OH TYR A 77 4.723 -10.705 -4.351 1.00 0.00 O ATOM 0 H TYR A 77 6.396 -6.485 2.747 1.00 0.00 H new ATOM 0 HA TYR A 77 6.870 -8.657 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.508 -7.171 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.622 -6.204 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.782 -7.241 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.667 -9.253 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.457 -8.803 -4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.354 -10.809 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 77 4.416 -10.193 -5.128 1.00 0.00 H new ATOM 1174 N VAL A 78 8.970 -7.342 0.880 1.00 0.00 N ATOM 1175 CA VAL A 78 10.217 -6.643 0.622 1.00 0.00 C ATOM 1176 C VAL A 78 10.864 -7.213 -0.642 1.00 0.00 C ATOM 1177 O VAL A 78 11.390 -6.465 -1.465 1.00 0.00 O ATOM 1178 CB VAL A 78 11.127 -6.725 1.849 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.435 -5.967 1.614 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.411 -6.209 3.099 1.00 0.00 C ATOM 0 H VAL A 78 9.079 -8.299 1.216 1.00 0.00 H new ATOM 0 HA VAL A 78 10.031 -5.584 0.443 1.00 0.00 H new ATOM 0 HB VAL A 78 11.373 -7.774 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.063 -6.041 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.958 -6.400 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.217 -4.919 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.080 -6.279 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.120 -5.169 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.521 -6.811 3.283 1.00 0.00 H new ATOM 1190 N SER A 79 10.804 -8.531 -0.756 1.00 0.00 N ATOM 1191 CA SER A 79 11.331 -9.206 -1.930 1.00 0.00 C ATOM 1192 C SER A 79 10.622 -8.698 -3.187 1.00 0.00 C ATOM 1193 O SER A 79 9.581 -8.050 -3.098 1.00 0.00 O ATOM 1194 CB SER A 79 11.176 -10.723 -1.809 1.00 0.00 C ATOM 1195 OG SER A 79 11.939 -11.254 -0.730 1.00 0.00 O ATOM 0 H SER A 79 10.398 -9.150 -0.054 1.00 0.00 H new ATOM 0 HA SER A 79 12.395 -8.982 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.124 -10.969 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.489 -11.195 -2.741 1.00 0.00 H new ATOM 0 HG SER A 79 11.811 -12.225 -0.686 1.00 0.00 H new ATOM 1201 N GLY A 80 11.215 -9.011 -4.330 1.00 0.00 N ATOM 1202 CA GLY A 80 10.746 -8.464 -5.591 1.00 0.00 C ATOM 1203 C GLY A 80 9.440 -9.130 -6.027 1.00 0.00 C ATOM 1204 O GLY A 80 8.665 -9.592 -5.190 1.00 0.00 O ATOM 0 H GLY A 80 12.017 -9.637 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.594 -7.389 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.506 -8.609 -6.359 1.00 0.00 H new ATOM 1208 N PHE A 81 9.235 -9.159 -7.335 1.00 0.00 N ATOM 1209 CA PHE A 81 7.890 -9.114 -7.883 1.00 0.00 C ATOM 1210 C PHE A 81 7.038 -8.070 -7.160 1.00 0.00 C ATOM 1211 O PHE A 81 7.486 -7.461 -6.190 1.00 0.00 O ATOM 1212 CB PHE A 81 7.273 -10.497 -7.667 1.00 0.00 C ATOM 1213 CG PHE A 81 8.017 -11.629 -8.379 1.00 0.00 C ATOM 1214 CD1 PHE A 81 7.808 -11.853 -9.704 1.00 0.00 C ATOM 1215 CD2 PHE A 81 8.887 -12.412 -7.686 1.00 0.00 C ATOM 1216 CE1 PHE A 81 8.499 -12.903 -10.364 1.00 0.00 C ATOM 1217 CE2 PHE A 81 9.578 -13.462 -8.346 1.00 0.00 C ATOM 1218 CZ PHE A 81 9.369 -13.686 -9.671 1.00 0.00 C ATOM 0 H PHE A 81 9.978 -9.213 -8.032 1.00 0.00 H new ATOM 0 HA PHE A 81 7.927 -8.845 -8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.247 -10.709 -6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.240 -10.481 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.116 -11.232 -10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.052 -12.235 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.334 -13.080 -11.417 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.270 -14.083 -7.796 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.894 -14.485 -10.173 1.00 0.00 H new ATOM 1228 N ARG A 82 5.823 -7.894 -7.660 1.00 0.00 N ATOM 1229 CA ARG A 82 4.959 -6.834 -7.172 1.00 0.00 C ATOM 1230 C ARG A 82 4.100 -7.342 -6.012 1.00 0.00 C ATOM 1231 O ARG A 82 3.954 -8.548 -5.824 1.00 0.00 O ATOM 1232 CB ARG A 82 4.046 -6.311 -8.283 1.00 0.00 C ATOM 1233 CG ARG A 82 4.863 -5.819 -9.478 1.00 0.00 C ATOM 1234 CD ARG A 82 5.815 -4.694 -9.065 1.00 0.00 C ATOM 1235 NE ARG A 82 7.149 -5.250 -8.748 1.00 0.00 N ATOM 1236 CZ ARG A 82 7.942 -4.790 -7.771 1.00 0.00 C ATOM 1237 NH1 ARG A 82 7.659 -3.626 -7.171 1.00 0.00 N ATOM 1238 NH2 ARG A 82 9.018 -5.494 -7.394 1.00 0.00 N ATOM 0 H ARG A 82 5.417 -8.469 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 82 5.596 -6.019 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.367 -7.102 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.430 -5.498 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.433 -6.647 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.192 -5.464 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.898 -3.963 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.416 -4.169 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 82 7.486 -6.033 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.840 -3.090 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.263 -3.276 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.233 -6.380 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.622 -5.144 -6.650 1.00 0.00 H new ATOM 1252 N ASN A 83 3.554 -6.395 -5.263 1.00 0.00 N ATOM 1253 CA ASN A 83 2.886 -6.720 -4.014 1.00 0.00 C ATOM 1254 C ASN A 83 1.663 -7.593 -4.307 1.00 0.00 C ATOM 1255 O ASN A 83 1.145 -7.586 -5.422 1.00 0.00 O ATOM 1256 CB ASN A 83 2.404 -5.455 -3.302 1.00 0.00 C ATOM 1257 CG ASN A 83 1.590 -4.569 -4.247 1.00 0.00 C ATOM 1258 OD1 ASN A 83 0.545 -4.949 -4.749 1.00 0.00 O ATOM 1259 ND2 ASN A 83 2.125 -3.371 -4.461 1.00 0.00 N ATOM 0 H ASN A 83 3.561 -5.402 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 83 3.599 -7.243 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.795 -5.728 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.261 -4.898 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.657 -2.706 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.003 -3.116 -4.009 1.00 0.00 H new ATOM 1266 N ALA A 84 1.239 -8.322 -3.286 1.00 0.00 N ATOM 1267 CA ALA A 84 0.016 -9.101 -3.380 1.00 0.00 C ATOM 1268 C ALA A 84 -0.799 -8.921 -2.098 1.00 0.00 C ATOM 1269 O ALA A 84 -1.984 -8.597 -2.152 1.00 0.00 O ATOM 1270 CB ALA A 84 0.364 -10.567 -3.649 1.00 0.00 C ATOM 0 H ALA A 84 1.720 -8.390 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.597 -8.753 -4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.553 -11.152 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.916 -10.644 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.977 -10.951 -2.834 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.131 -9.139 -0.975 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.694 -8.774 0.314 1.00 0.00 C ATOM 1278 C ASP A 85 -0.607 -7.256 0.491 1.00 0.00 C ATOM 1279 O ASP A 85 0.486 -6.701 0.591 1.00 0.00 O ATOM 1280 CB ASP A 85 0.081 -9.429 1.459 1.00 0.00 C ATOM 1281 CG ASP A 85 0.073 -10.959 1.453 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.642 -11.525 0.495 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.502 -11.527 2.407 1.00 0.00 O ATOM 0 H ASP A 85 0.795 -9.564 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.729 -9.114 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.115 -9.086 1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.335 -9.082 2.405 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.774 -6.629 0.525 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.850 -5.183 0.403 1.00 0.00 C ATOM 1290 C ARG A 86 -2.724 -4.602 1.515 1.00 0.00 C ATOM 1291 O ARG A 86 -3.591 -5.290 2.053 1.00 0.00 O ATOM 1292 CB ARG A 86 -2.425 -4.775 -0.955 1.00 0.00 C ATOM 1293 CG ARG A 86 -1.491 -5.190 -2.094 1.00 0.00 C ATOM 1294 CD ARG A 86 -2.279 -5.478 -3.373 1.00 0.00 C ATOM 1295 NE ARG A 86 -2.777 -4.212 -3.956 1.00 0.00 N ATOM 1296 CZ ARG A 86 -3.554 -4.141 -5.045 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -3.916 -5.262 -5.684 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -3.970 -2.949 -5.496 1.00 0.00 N ATOM 0 H ARG A 86 -2.674 -7.096 0.635 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.837 -4.789 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.402 -5.238 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.577 -3.696 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.765 -4.398 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.928 -6.077 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.644 -5.995 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.116 -6.141 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.512 -3.339 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.600 -6.169 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.508 -5.208 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.695 -2.095 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.562 -2.896 -6.325 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.467 -3.340 1.827 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.425 -2.544 2.577 1.00 0.00 C ATOM 1314 C LEU A 87 -3.793 -1.300 1.766 1.00 0.00 C ATOM 1315 O LEU A 87 -2.916 -0.611 1.247 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.884 -2.230 3.973 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.742 -1.297 4.830 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.804 -1.785 6.279 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.247 0.147 4.733 1.00 0.00 C ATOM 0 H LEU A 87 -1.609 -2.849 1.574 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.346 -3.106 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.755 -3.169 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.894 -1.786 3.866 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.760 -1.316 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.420 -1.104 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.239 -2.784 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.797 -1.815 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.874 0.789 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.216 0.202 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.298 0.480 3.696 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.092 -1.052 1.681 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.595 0.023 0.842 1.00 0.00 C ATOM 1333 C VAL A 88 -6.491 0.939 1.677 1.00 0.00 C ATOM 1334 O VAL A 88 -7.392 0.469 2.370 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.307 -0.559 -0.381 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.567 0.524 -1.431 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.512 -1.721 -0.978 1.00 0.00 C ATOM 0 H VAL A 88 -5.811 -1.577 2.179 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.773 0.631 0.464 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.271 -0.947 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.074 0.084 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.194 1.305 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.619 0.955 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.041 -2.116 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.526 -1.369 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.401 -2.508 -0.232 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.214 2.231 1.582 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.923 3.210 2.389 1.00 0.00 C ATOM 1349 C TYR A 89 -7.441 4.361 1.524 1.00 0.00 C ATOM 1350 O TYR A 89 -6.823 4.716 0.522 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.899 3.757 3.385 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.651 4.352 2.731 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.585 3.537 2.410 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.591 5.704 2.462 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.410 4.097 1.795 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.416 6.265 1.847 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.383 5.433 1.543 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.273 5.962 0.962 1.00 0.00 O ATOM 0 H TYR A 89 -5.508 2.623 0.958 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.781 2.753 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.376 4.523 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.597 2.954 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.632 2.479 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.426 6.342 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.569 3.470 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.356 7.322 1.632 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.395 6.927 0.841 1.00 0.00 H new ATOM 1368 N SER A 90 -8.571 4.912 1.943 1.00 0.00 N ATOM 1369 CA SER A 90 -9.271 5.893 1.132 1.00 0.00 C ATOM 1370 C SER A 90 -8.774 7.301 1.469 1.00 0.00 C ATOM 1371 O SER A 90 -7.935 7.472 2.352 1.00 0.00 O ATOM 1372 CB SER A 90 -10.784 5.801 1.339 1.00 0.00 C ATOM 1373 OG SER A 90 -11.188 6.367 2.584 1.00 0.00 O ATOM 0 H SER A 90 -9.019 4.697 2.834 1.00 0.00 H new ATOM 0 HA SER A 90 -9.062 5.681 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.293 6.316 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.093 4.756 1.298 1.00 0.00 H new ATOM 0 HG SER A 90 -11.885 7.038 2.428 1.00 0.00 H new ATOM 1379 N SER A 91 -9.312 8.272 0.747 1.00 0.00 N ATOM 1380 CA SER A 91 -9.006 9.666 1.021 1.00 0.00 C ATOM 1381 C SER A 91 -9.420 10.022 2.450 1.00 0.00 C ATOM 1382 O SER A 91 -8.651 10.637 3.188 1.00 0.00 O ATOM 1383 CB SER A 91 -9.703 10.590 0.020 1.00 0.00 C ATOM 1384 OG SER A 91 -9.272 10.352 -1.317 1.00 0.00 O ATOM 0 H SER A 91 -9.958 8.121 -0.028 1.00 0.00 H new ATOM 0 HA SER A 91 -7.930 9.807 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.782 10.446 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.504 11.628 0.286 1.00 0.00 H new ATOM 0 HG SER A 91 -8.981 9.420 -1.406 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.633 9.620 2.798 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.186 9.950 4.100 1.00 0.00 C ATOM 1392 C ASP A 92 -10.880 8.816 5.081 1.00 0.00 C ATOM 1393 O ASP A 92 -11.441 8.768 6.175 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.705 10.115 4.028 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.475 8.854 3.632 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.166 8.318 2.546 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.357 8.455 4.424 1.00 0.00 O ATOM 0 H ASP A 92 -11.249 9.068 2.201 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.737 10.887 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.065 10.452 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.936 10.903 3.312 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.991 7.931 4.654 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.282 7.072 5.588 1.00 0.00 C ATOM 1404 C TRP A 93 -10.260 6.006 6.085 1.00 0.00 C ATOM 1405 O TRP A 93 -10.355 5.757 7.286 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.662 7.890 6.723 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.895 9.127 6.251 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.246 10.414 6.380 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.625 9.142 5.566 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.299 11.254 5.830 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.282 10.455 5.319 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.794 8.080 5.168 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.102 10.829 4.665 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.618 8.470 4.516 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.258 9.788 4.260 1.00 0.00 C ATOM 0 H TRP A 93 -9.745 7.790 3.674 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.445 6.575 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.452 8.203 7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.986 7.251 7.291 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.156 10.751 6.855 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.338 12.273 5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.043 7.045 5.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.856 11.865 4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -3.943 7.693 4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.331 10.008 3.751 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.961 5.403 5.136 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.554 4.095 5.360 1.00 0.00 C ATOM 1428 C LEU A 94 -10.556 3.011 4.948 1.00 0.00 C ATOM 1429 O LEU A 94 -10.092 2.989 3.809 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.904 3.990 4.648 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.073 4.716 5.317 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.072 5.224 4.275 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.742 3.828 6.367 1.00 0.00 C ATOM 0 H LEU A 94 -11.132 5.796 4.210 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.766 3.949 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.790 4.381 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.162 2.935 4.555 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.679 5.589 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.893 5.736 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.572 5.917 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.464 4.381 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.569 4.368 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.120 2.923 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.014 3.559 7.133 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.255 2.137 5.897 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.095 1.270 5.776 1.00 0.00 C ATOM 1447 C ILE A 95 -9.561 -0.167 5.533 1.00 0.00 C ATOM 1448 O ILE A 95 -10.453 -0.659 6.223 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.182 1.423 6.995 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.199 2.862 7.515 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.764 0.943 6.681 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.239 3.029 8.694 1.00 0.00 C ATOM 0 H ILE A 95 -10.794 2.010 6.753 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.491 1.559 4.916 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.567 0.788 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.919 3.546 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.210 3.129 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.136 1.063 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.791 -0.108 6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.354 1.532 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.270 4.060 9.045 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.536 2.361 9.503 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.226 2.784 8.376 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.936 -0.799 4.551 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.187 -2.206 4.288 1.00 0.00 C ATOM 1466 C TYR A 96 -7.888 -2.941 3.952 1.00 0.00 C ATOM 1467 O TYR A 96 -6.943 -2.339 3.446 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.113 -2.248 3.070 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.569 -1.896 3.382 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.973 -0.577 3.389 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.477 -2.898 3.657 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.343 -0.246 3.683 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.847 -2.567 3.951 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.213 -1.257 3.950 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.507 -0.944 4.227 1.00 0.00 O ATOM 0 H TYR A 96 -8.256 -0.363 3.928 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.624 -2.688 5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.736 -1.557 2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.077 -3.246 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.262 0.207 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.160 -3.930 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.673 0.782 3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.568 -3.342 4.167 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.013 -1.766 4.397 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.884 -4.233 4.247 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.728 -5.064 3.953 1.00 0.00 C ATOM 1487 C LYS A 97 -7.142 -6.186 2.999 1.00 0.00 C ATOM 1488 O LYS A 97 -8.329 -6.461 2.836 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.085 -5.564 5.248 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.933 -6.662 5.893 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.294 -8.037 5.691 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.132 -9.133 6.353 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.493 -10.456 6.170 1.00 0.00 N ATOM 0 H LYS A 97 -8.662 -4.725 4.686 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.959 -4.482 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.086 -5.947 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.968 -4.734 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.045 -6.462 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.934 -6.655 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.195 -8.243 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.288 -8.040 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.244 -8.921 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.133 -9.143 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.074 -11.188 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.408 -10.663 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.547 -10.447 6.602 1.00 0.00 H new ATOM 1507 N THR A 98 -6.138 -6.803 2.393 1.00 0.00 N ATOM 1508 CA THR A 98 -6.372 -7.969 1.558 1.00 0.00 C ATOM 1509 C THR A 98 -5.109 -8.829 1.477 1.00 0.00 C ATOM 1510 O THR A 98 -3.996 -8.307 1.506 1.00 0.00 O ATOM 1511 CB THR A 98 -6.864 -7.483 0.193 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.978 -8.675 -0.580 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.812 -6.657 -0.549 1.00 0.00 C ATOM 0 H THR A 98 -5.161 -6.518 2.464 1.00 0.00 H new ATOM 0 HA THR A 98 -7.140 -8.613 1.986 1.00 0.00 H new ATOM 0 HB THR A 98 -7.767 -6.887 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.920 -8.835 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.213 -6.337 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.552 -5.781 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.921 -7.263 -0.710 1.00 0.00 H new ATOM 1521 N THR A 99 -5.325 -10.133 1.377 1.00 0.00 N ATOM 1522 CA THR A 99 -4.230 -11.056 1.132 1.00 0.00 C ATOM 1523 C THR A 99 -4.449 -11.805 -0.184 1.00 0.00 C ATOM 1524 O THR A 99 -3.665 -12.683 -0.541 1.00 0.00 O ATOM 1525 CB THR A 99 -4.109 -11.980 2.345 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.435 -12.462 2.548 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.788 -11.217 3.632 1.00 0.00 C ATOM 0 H THR A 99 -6.242 -10.572 1.461 1.00 0.00 H new ATOM 0 HA THR A 99 -3.285 -10.526 1.015 1.00 0.00 H new ATOM 0 HB THR A 99 -3.333 -12.722 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.448 -13.071 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.713 -11.919 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.841 -10.690 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.581 -10.498 3.836 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.520 -11.432 -0.869 1.00 0.00 N ATOM 1536 CA ASP A 100 -6.024 -12.238 -1.968 1.00 0.00 C ATOM 1537 C ASP A 100 -5.886 -11.455 -3.275 1.00 0.00 C ATOM 1538 O ASP A 100 -6.351 -11.902 -4.322 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.504 -12.573 -1.771 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.375 -11.405 -1.304 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.413 -10.395 -2.040 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.983 -11.548 -0.221 1.00 0.00 O ATOM 0 H ASP A 100 -6.053 -10.582 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.446 -13.162 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.904 -12.951 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.584 -13.380 -1.043 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.245 -10.300 -3.170 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.972 -9.487 -4.343 1.00 0.00 C ATOM 1549 C HIS A 101 -6.288 -9.128 -5.036 1.00 0.00 C ATOM 1550 O HIS A 101 -6.710 -9.811 -5.968 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.984 -10.192 -5.275 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.542 -9.352 -6.450 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.682 -8.275 -6.319 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -3.847 -9.443 -7.776 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.487 -7.749 -7.519 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.210 -8.474 -8.421 1.00 0.00 N ATOM 0 H HIS A 101 -4.907 -9.908 -2.291 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.495 -8.555 -4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.105 -10.486 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.442 -11.108 -5.648 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.497 -10.179 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.865 -6.896 -7.744 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.254 -8.300 -9.425 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.900 -8.056 -4.554 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.891 -7.343 -5.342 1.00 0.00 C ATOM 1566 C TYR A 102 -9.071 -8.252 -5.692 1.00 0.00 C ATOM 1567 O TYR A 102 -9.725 -8.060 -6.716 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.184 -6.925 -6.633 1.00 0.00 C ATOM 1569 CG TYR A 102 -7.782 -5.684 -7.296 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -7.421 -4.425 -6.859 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -8.683 -5.822 -8.333 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -7.985 -3.257 -7.484 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -9.246 -4.653 -8.958 1.00 0.00 C ATOM 1574 CZ TYR A 102 -8.869 -3.428 -8.502 1.00 0.00 C ATOM 1575 OH TYR A 102 -9.401 -2.324 -9.092 1.00 0.00 O ATOM 0 H TYR A 102 -6.729 -7.664 -3.628 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.282 -6.491 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.133 -6.737 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.219 -7.754 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.716 -4.316 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.966 -6.807 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.712 -2.267 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.952 -4.747 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.845 -1.544 -8.887 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.307 -9.223 -4.822 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.531 -10.004 -4.885 1.00 0.00 C ATOM 1587 C ALA A 103 -11.514 -9.488 -3.833 1.00 0.00 C ATOM 1588 O ALA A 103 -12.584 -8.983 -4.172 1.00 0.00 O ATOM 1589 CB ALA A 103 -10.201 -11.486 -4.699 1.00 0.00 C ATOM 0 H ALA A 103 -8.671 -9.487 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.006 -9.896 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.119 -12.072 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.523 -11.810 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.726 -11.634 -3.729 1.00 0.00 H new ATOM 1595 N THR A 104 -11.118 -9.633 -2.577 1.00 0.00 N ATOM 1596 CA THR A 104 -11.975 -9.240 -1.472 1.00 0.00 C ATOM 1597 C THR A 104 -11.178 -8.444 -0.436 1.00 0.00 C ATOM 1598 O THR A 104 -9.949 -8.421 -0.477 1.00 0.00 O ATOM 1599 CB THR A 104 -12.620 -10.504 -0.901 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.532 -11.411 -0.747 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.542 -11.197 -1.907 1.00 0.00 C ATOM 0 H THR A 104 -10.215 -10.017 -2.300 1.00 0.00 H new ATOM 0 HA THR A 104 -12.771 -8.574 -1.806 1.00 0.00 H new ATOM 0 HB THR A 104 -13.186 -10.249 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.739 -10.922 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.974 -12.088 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.341 -10.515 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.969 -11.482 -2.789 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.911 -7.810 0.468 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.297 -6.922 1.440 1.00 0.00 C ATOM 1611 C PHE A 105 -11.951 -7.078 2.814 1.00 0.00 C ATOM 1612 O PHE A 105 -13.050 -7.617 2.925 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.519 -5.492 0.942 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.619 -5.095 -0.230 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.385 -4.573 0.007 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.052 -5.263 -1.508 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.549 -4.204 -1.080 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.216 -4.894 -2.595 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.982 -4.372 -2.358 1.00 0.00 C ATOM 0 H PHE A 105 -12.924 -7.894 0.547 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.238 -7.157 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.561 -5.381 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.350 -4.800 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.041 -4.439 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.032 -5.677 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.569 -3.790 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.560 -5.028 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.347 -4.091 -3.185 1.00 0.00 H new ATOM 1629 N THR A 106 -11.246 -6.596 3.827 1.00 0.00 N ATOM 1630 CA THR A 106 -11.789 -6.576 5.175 1.00 0.00 C ATOM 1631 C THR A 106 -11.395 -5.282 5.890 1.00 0.00 C ATOM 1632 O THR A 106 -10.234 -4.878 5.855 1.00 0.00 O ATOM 1633 CB THR A 106 -11.310 -7.838 5.895 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.927 -8.903 5.177 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.884 -7.960 7.308 1.00 0.00 C ATOM 0 H THR A 106 -10.303 -6.216 3.741 1.00 0.00 H new ATOM 0 HA THR A 106 -12.879 -6.584 5.163 1.00 0.00 H new ATOM 0 HB THR A 106 -10.221 -7.836 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.669 -9.760 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.512 -8.873 7.774 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.577 -7.099 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.972 -7.996 7.257 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.385 -4.669 6.522 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.149 -3.450 7.277 1.00 0.00 C ATOM 1645 C ARG A 107 -11.413 -3.766 8.580 1.00 0.00 C ATOM 1646 O ARG A 107 -11.850 -4.618 9.353 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.465 -2.740 7.601 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.208 -1.359 8.208 1.00 0.00 C ATOM 1649 CD ARG A 107 -13.421 -0.255 7.169 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.867 -0.073 6.914 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.679 0.662 7.685 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -15.215 1.208 8.818 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -16.956 0.852 7.324 1.00 0.00 N ATOM 0 H ARG A 107 -13.352 -4.993 6.527 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.536 -2.792 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.060 -2.637 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.047 -3.345 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.876 -1.200 9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.189 -1.310 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.985 0.679 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.909 -0.513 6.242 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.271 -0.536 6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.243 1.064 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.834 1.768 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.309 0.437 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.574 1.412 7.911 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.309 -3.063 8.785 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.563 -3.186 10.026 1.00 0.00 C ATOM 1669 C ILE A 108 -9.673 -1.880 10.814 1.00 0.00 C ATOM 1670 O ILE A 108 -9.514 -1.871 12.033 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.121 -3.615 9.744 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.144 -2.474 10.036 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.976 -4.143 8.315 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.160 -1.436 8.912 1.00 0.00 C ATOM 0 H ILE A 108 -9.913 -2.406 8.113 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.989 -3.972 10.650 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.869 -4.435 10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.408 -1.997 10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.137 -2.874 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.942 -4.441 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.630 -5.004 8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.252 -3.361 7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.457 -0.636 9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.872 -1.911 7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.163 -1.020 8.815 1.00 0.00 H new ATOM 1686 N ARG A 109 -9.945 -0.807 10.085 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.082 0.501 10.701 1.00 0.00 C ATOM 1688 C ARG A 109 -9.181 0.605 11.932 1.00 0.00 C ATOM 1689 O ARG A 109 -7.985 0.271 11.790 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.531 0.767 11.114 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.063 -0.361 12.002 1.00 0.00 C ATOM 1692 CD ARG A 109 -13.468 -0.038 12.514 1.00 0.00 C ATOM 1693 NE ARG A 109 -13.877 -1.033 13.531 1.00 0.00 N ATOM 1694 CZ ARG A 109 -14.183 -2.308 13.254 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -14.274 -2.713 11.980 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -14.399 -3.177 14.251 1.00 0.00 N ATOM 0 H ARG A 109 -10.074 -0.818 9.073 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.784 1.247 9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.593 1.715 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.155 0.860 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.083 -1.294 11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.390 -0.513 12.846 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.486 0.963 12.945 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.176 -0.041 11.685 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.929 -0.729 14.503 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.110 -2.051 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.507 -3.683 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.331 -2.868 15.221 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.632 -4.147 14.040 1.00 0.00 H new TER 1710 ARG A 109