USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0698 (180deg=-0.393) USER MOD Single : A 5 SER OG : rot 180:sc= -0.698 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -135:sc= 0.0476 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.065) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= -0.0678 (180deg=-0.0759) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -144:sc= -0.317 (180deg=-1.23) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.358 F(o=-2.5!,f=-0.36) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 24 MET CE :methyl 162:sc= -0.0877 (180deg=-0.398) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 75:sc= 1.18 USER MOD Single : A 31 MET CE :methyl 147:sc= -0.198 (180deg=-2.4!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0535 F(o=-1.5!,f=-0.053) USER MOD Single : A 52 SER OG : rot 140:sc= -0.0342 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 1.32 (180deg=0.955) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 72 MET CE :methyl 157:sc= -0.222 (180deg=-1.12) USER MOD Single : A 75 ASN : amide:sc= 0.981 K(o=0.98,f=-5.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -156:sc= -3.2! (180deg=-4.97!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 1.07 (180deg=-0.347!) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0746) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 23.297 5.659 1.325 1.00 1.00 N ATOM 2 CA GLY A -5 22.373 6.114 2.389 1.00 1.00 C ATOM 3 C GLY A -5 21.472 4.996 2.856 1.00 1.00 C ATOM 4 O GLY A -5 21.867 3.829 2.848 1.00 1.00 O ATOM 0 H1 GLY A -5 24.255 6.012 1.523 1.00 1.00 H new ATOM 0 H2 GLY A -5 23.310 4.619 1.298 1.00 1.00 H new ATOM 0 H3 GLY A -5 22.976 6.025 0.406 1.00 1.00 H new ATOM 0 HA2 GLY A -5 22.948 6.496 3.233 1.00 1.00 H new ATOM 0 HA3 GLY A -5 21.767 6.940 2.017 1.00 1.00 H new ATOM 10 N ILE A -4 20.262 5.345 3.258 1.00 1.00 N ATOM 11 CA ILE A -4 19.288 4.357 3.683 1.00 1.00 C ATOM 12 C ILE A -4 18.319 4.060 2.544 1.00 1.00 C ATOM 13 O ILE A -4 17.541 4.922 2.129 1.00 1.00 O ATOM 14 CB ILE A -4 18.507 4.826 4.928 1.00 1.00 C ATOM 15 CG1 ILE A -4 19.480 5.117 6.077 1.00 1.00 C ATOM 16 CG2 ILE A -4 17.482 3.775 5.342 1.00 1.00 C ATOM 17 CD1 ILE A -4 18.814 5.655 7.323 1.00 1.00 C ATOM 0 H ILE A -4 19.931 6.309 3.299 1.00 1.00 H new ATOM 0 HA ILE A -4 19.829 3.449 3.951 1.00 1.00 H new ATOM 0 HB ILE A -4 17.972 5.744 4.684 1.00 1.00 H new ATOM 0 HG12 ILE A -4 20.014 4.201 6.329 1.00 1.00 H new ATOM 0 HG13 ILE A -4 20.225 5.836 5.736 1.00 1.00 H new ATOM 0 HG21 ILE A -4 16.940 4.122 6.222 1.00 1.00 H new ATOM 0 HG22 ILE A -4 16.780 3.610 4.525 1.00 1.00 H new ATOM 0 HG23 ILE A -4 17.993 2.841 5.576 1.00 1.00 H new ATOM 0 HD11 ILE A -4 19.568 5.836 8.089 1.00 1.00 H new ATOM 0 HD12 ILE A -4 18.304 6.589 7.088 1.00 1.00 H new ATOM 0 HD13 ILE A -4 18.089 4.929 7.691 1.00 1.00 H new ATOM 29 N ASP A -3 18.390 2.843 2.033 1.00 1.00 N ATOM 30 CA ASP A -3 17.574 2.433 0.898 1.00 1.00 C ATOM 31 C ASP A -3 16.150 2.123 1.346 1.00 1.00 C ATOM 32 O ASP A -3 15.929 1.738 2.496 1.00 1.00 O ATOM 33 CB ASP A -3 18.179 1.196 0.223 1.00 1.00 C ATOM 34 CG ASP A -3 19.634 1.377 -0.157 1.00 1.00 C ATOM 35 OD1 ASP A -3 19.932 2.234 -1.014 1.00 1.00 O ATOM 36 OD2 ASP A -3 20.494 0.662 0.409 1.00 1.00 O ATOM 0 H ASP A -3 19.009 2.114 2.388 1.00 1.00 H new ATOM 0 HA ASP A -3 17.551 3.256 0.183 1.00 1.00 H new ATOM 0 HB2 ASP A -3 18.089 0.342 0.895 1.00 1.00 H new ATOM 0 HB3 ASP A -3 17.603 0.960 -0.672 1.00 1.00 H new ATOM 41 N PRO A -2 15.163 2.301 0.451 1.00 1.00 N ATOM 42 CA PRO A -2 13.768 1.940 0.731 1.00 1.00 C ATOM 43 C PRO A -2 13.612 0.437 0.929 1.00 1.00 C ATOM 44 O PRO A -2 12.778 -0.021 1.710 1.00 1.00 O ATOM 45 CB PRO A -2 13.008 2.398 -0.521 1.00 1.00 C ATOM 46 CG PRO A -2 13.925 3.351 -1.207 1.00 1.00 C ATOM 47 CD PRO A -2 15.316 2.884 -0.889 1.00 1.00 C ATOM 0 HA PRO A -2 13.399 2.402 1.647 1.00 1.00 H new ATOM 0 HB2 PRO A -2 12.764 1.553 -1.165 1.00 1.00 H new ATOM 0 HB3 PRO A -2 12.066 2.879 -0.256 1.00 1.00 H new ATOM 0 HG2 PRO A -2 13.751 3.355 -2.283 1.00 1.00 H new ATOM 0 HG3 PRO A -2 13.765 4.370 -0.854 1.00 1.00 H new ATOM 0 HD2 PRO A -2 15.672 2.150 -1.612 1.00 1.00 H new ATOM 0 HD3 PRO A -2 16.030 3.707 -0.893 1.00 1.00 H new ATOM 55 N PHE A -1 14.433 -0.323 0.218 1.00 1.00 N ATOM 56 CA PHE A -1 14.447 -1.770 0.348 1.00 1.00 C ATOM 57 C PHE A -1 15.489 -2.181 1.380 1.00 1.00 C ATOM 58 O PHE A -1 16.411 -1.420 1.669 1.00 1.00 O ATOM 59 CB PHE A -1 14.741 -2.430 -1.006 1.00 1.00 C ATOM 60 CG PHE A -1 16.081 -2.072 -1.595 1.00 1.00 C ATOM 61 CD1 PHE A -1 16.238 -0.919 -2.349 1.00 1.00 C ATOM 62 CD2 PHE A -1 17.182 -2.891 -1.396 1.00 1.00 C ATOM 63 CE1 PHE A -1 17.465 -0.591 -2.892 1.00 1.00 C ATOM 64 CE2 PHE A -1 18.411 -2.567 -1.938 1.00 1.00 C ATOM 65 CZ PHE A -1 18.553 -1.416 -2.687 1.00 1.00 C ATOM 0 H PHE A -1 15.102 0.044 -0.459 1.00 1.00 H new ATOM 0 HA PHE A -1 13.465 -2.106 0.681 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.687 -3.512 -0.888 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.960 -2.147 -1.712 1.00 1.00 H new ATOM 0 HD1 PHE A -1 15.391 -0.270 -2.514 1.00 1.00 H new ATOM 0 HD2 PHE A -1 17.078 -3.793 -0.811 1.00 1.00 H new ATOM 0 HE1 PHE A -1 17.573 0.311 -3.477 1.00 1.00 H new ATOM 0 HE2 PHE A -1 19.260 -3.214 -1.776 1.00 1.00 H new ATOM 0 HZ PHE A -1 19.513 -1.161 -3.112 1.00 1.00 H new ATOM 75 N THR A 0 15.350 -3.378 1.929 1.00 1.00 N ATOM 76 CA THR A 0 16.251 -3.841 2.971 1.00 1.00 C ATOM 77 C THR A 0 16.270 -5.369 3.041 1.00 1.00 C ATOM 78 O THR A 0 15.496 -5.980 3.782 1.00 1.00 O ATOM 79 CB THR A 0 15.877 -3.231 4.347 1.00 1.00 C ATOM 80 OG1 THR A 0 16.660 -3.817 5.395 1.00 1.00 O ATOM 81 CG2 THR A 0 14.392 -3.404 4.649 1.00 1.00 C ATOM 0 H THR A 0 14.623 -4.045 1.670 1.00 1.00 H new ATOM 0 HA THR A 0 17.255 -3.502 2.716 1.00 1.00 H new ATOM 0 HB THR A 0 16.094 -2.164 4.298 1.00 1.00 H new ATOM 0 HG1 THR A 0 16.409 -3.417 6.254 1.00 1.00 H new ATOM 0 HG21 THR A 0 14.165 -2.965 5.621 1.00 1.00 H new ATOM 0 HG22 THR A 0 13.804 -2.905 3.879 1.00 1.00 H new ATOM 0 HG23 THR A 0 14.145 -4.466 4.664 1.00 1.00 H new ATOM 89 N MET A 1 17.153 -5.975 2.240 1.00 1.00 N ATOM 90 CA MET A 1 17.283 -7.436 2.143 1.00 1.00 C ATOM 91 C MET A 1 16.060 -8.059 1.490 1.00 1.00 C ATOM 92 O MET A 1 16.135 -8.629 0.400 1.00 1.00 O ATOM 93 CB MET A 1 17.544 -8.072 3.515 1.00 1.00 C ATOM 94 CG MET A 1 18.843 -7.617 4.159 1.00 1.00 C ATOM 95 SD MET A 1 20.290 -7.966 3.138 1.00 1.00 S ATOM 96 CE MET A 1 20.251 -9.757 3.085 1.00 1.00 C ATOM 0 H MET A 1 17.800 -5.466 1.638 1.00 1.00 H new ATOM 0 HA MET A 1 18.147 -7.639 1.509 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.715 -7.833 4.181 1.00 1.00 H new ATOM 0 HB3 MET A 1 17.563 -9.156 3.406 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.791 -6.546 4.353 1.00 1.00 H new ATOM 0 HG3 MET A 1 18.957 -8.111 5.124 1.00 1.00 H new ATOM 0 HE1 MET A 1 21.216 -10.132 2.743 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.043 -10.146 4.082 1.00 1.00 H new ATOM 0 HE3 MET A 1 19.471 -10.084 2.398 1.00 1.00 H new ATOM 106 N VAL A 2 14.949 -7.933 2.163 1.00 1.00 N ATOM 107 CA VAL A 2 13.668 -8.407 1.671 1.00 1.00 C ATOM 108 C VAL A 2 12.593 -7.339 1.893 1.00 1.00 C ATOM 109 O VAL A 2 12.341 -6.908 3.023 1.00 1.00 O ATOM 110 CB VAL A 2 13.254 -9.746 2.337 1.00 1.00 C ATOM 111 CG1 VAL A 2 13.272 -9.641 3.857 1.00 1.00 C ATOM 112 CG2 VAL A 2 11.883 -10.190 1.848 1.00 1.00 C ATOM 0 H VAL A 2 14.899 -7.493 3.082 1.00 1.00 H new ATOM 0 HA VAL A 2 13.769 -8.595 0.602 1.00 1.00 H new ATOM 0 HB VAL A 2 13.986 -10.499 2.046 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.977 -10.596 4.291 1.00 1.00 H new ATOM 0 HG12 VAL A 2 14.277 -9.385 4.192 1.00 1.00 H new ATOM 0 HG13 VAL A 2 12.575 -8.866 4.176 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.613 -11.131 2.328 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.144 -9.429 2.098 1.00 1.00 H new ATOM 0 HG23 VAL A 2 11.909 -10.328 0.767 1.00 1.00 H new ATOM 122 N ALA A 3 11.990 -6.892 0.803 1.00 1.00 N ATOM 123 CA ALA A 3 10.965 -5.862 0.855 1.00 1.00 C ATOM 124 C ALA A 3 9.732 -6.300 0.079 1.00 1.00 C ATOM 125 O ALA A 3 9.737 -7.348 -0.571 1.00 1.00 O ATOM 126 CB ALA A 3 11.507 -4.551 0.303 1.00 1.00 C ATOM 0 H ALA A 3 12.196 -7.230 -0.137 1.00 1.00 H new ATOM 0 HA ALA A 3 10.678 -5.707 1.895 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.730 -3.788 0.348 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.363 -4.232 0.898 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.817 -4.693 -0.732 1.00 1.00 H new ATOM 132 N LEU A 4 8.682 -5.499 0.151 1.00 1.00 N ATOM 133 CA LEU A 4 7.433 -5.809 -0.525 1.00 1.00 C ATOM 134 C LEU A 4 7.167 -4.796 -1.634 1.00 1.00 C ATOM 135 O LEU A 4 6.768 -3.662 -1.369 1.00 1.00 O ATOM 136 CB LEU A 4 6.273 -5.808 0.476 1.00 1.00 C ATOM 137 CG LEU A 4 6.458 -6.715 1.697 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.232 -6.654 2.595 1.00 1.00 C ATOM 139 CD2 LEU A 4 6.737 -8.149 1.268 1.00 1.00 C ATOM 0 H LEU A 4 8.670 -4.624 0.674 1.00 1.00 H new ATOM 0 HA LEU A 4 7.515 -6.802 -0.967 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.116 -4.787 0.824 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.365 -6.110 -0.046 1.00 1.00 H new ATOM 0 HG LEU A 4 7.318 -6.357 2.262 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.380 -7.304 3.457 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.080 -5.629 2.935 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.356 -6.985 2.037 1.00 1.00 H new ATOM 0 HD21 LEU A 4 6.865 -8.775 2.151 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.900 -8.522 0.678 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.646 -8.179 0.668 1.00 1.00 H new ATOM 151 N SER A 5 7.401 -5.199 -2.871 1.00 1.00 N ATOM 152 CA SER A 5 7.178 -4.326 -4.013 1.00 1.00 C ATOM 153 C SER A 5 5.783 -4.540 -4.589 1.00 1.00 C ATOM 154 O SER A 5 5.528 -5.518 -5.297 1.00 1.00 O ATOM 155 CB SER A 5 8.238 -4.586 -5.080 1.00 1.00 C ATOM 156 OG SER A 5 9.540 -4.358 -4.569 1.00 1.00 O ATOM 0 H SER A 5 7.746 -6.128 -3.112 1.00 1.00 H new ATOM 0 HA SER A 5 7.255 -3.291 -3.681 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.158 -5.614 -5.435 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.062 -3.938 -5.938 1.00 1.00 H new ATOM 0 HG SER A 5 10.202 -4.533 -5.270 1.00 1.00 H new ATOM 162 N LEU A 6 4.884 -3.618 -4.293 1.00 1.00 N ATOM 163 CA LEU A 6 3.506 -3.732 -4.736 1.00 1.00 C ATOM 164 C LEU A 6 3.141 -2.584 -5.667 1.00 1.00 C ATOM 165 O LEU A 6 3.817 -1.552 -5.702 1.00 1.00 O ATOM 166 CB LEU A 6 2.535 -3.757 -3.546 1.00 1.00 C ATOM 167 CG LEU A 6 2.448 -5.081 -2.773 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.653 -5.269 -1.867 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.161 -5.134 -1.968 1.00 1.00 C ATOM 0 H LEU A 6 5.084 -2.780 -3.747 1.00 1.00 H new ATOM 0 HA LEU A 6 3.417 -4.674 -5.277 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.826 -2.971 -2.849 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.539 -3.506 -3.911 1.00 1.00 H new ATOM 0 HG LEU A 6 2.445 -5.897 -3.496 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.563 -6.215 -1.333 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.562 -5.277 -2.468 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.700 -4.450 -1.149 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.111 -6.077 -1.424 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.140 -4.305 -1.260 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.307 -5.057 -2.641 1.00 1.00 H new ATOM 181 N LYS A 7 2.081 -2.780 -6.430 1.00 1.00 N ATOM 182 CA LYS A 7 1.570 -1.746 -7.311 1.00 1.00 C ATOM 183 C LYS A 7 0.471 -0.971 -6.605 1.00 1.00 C ATOM 184 O LYS A 7 -0.556 -1.538 -6.235 1.00 1.00 O ATOM 185 CB LYS A 7 1.022 -2.367 -8.596 1.00 1.00 C ATOM 186 CG LYS A 7 2.073 -3.056 -9.446 1.00 1.00 C ATOM 187 CD LYS A 7 1.455 -3.685 -10.682 1.00 1.00 C ATOM 188 CE LYS A 7 2.512 -4.250 -11.617 1.00 1.00 C ATOM 189 NZ LYS A 7 3.237 -5.399 -11.017 1.00 1.00 N ATOM 0 H LYS A 7 1.554 -3.653 -6.457 1.00 1.00 H new ATOM 0 HA LYS A 7 2.384 -1.068 -7.569 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.248 -3.090 -8.337 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.544 -1.587 -9.189 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.834 -2.334 -9.744 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.575 -3.823 -8.857 1.00 1.00 H new ATOM 0 HD2 LYS A 7 0.772 -4.480 -10.382 1.00 1.00 H new ATOM 0 HD3 LYS A 7 0.862 -2.939 -11.212 1.00 1.00 H new ATOM 0 HE2 LYS A 7 2.040 -4.566 -12.547 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.225 -3.466 -11.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 3.924 -5.773 -11.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.738 -5.085 -10.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 2.558 -6.145 -10.766 1.00 1.00 H new ATOM 203 N ILE A 8 0.690 0.315 -6.399 1.00 1.00 N ATOM 204 CA ILE A 8 -0.291 1.144 -5.724 1.00 1.00 C ATOM 205 C ILE A 8 -1.112 1.936 -6.729 1.00 1.00 C ATOM 206 O ILE A 8 -0.579 2.752 -7.476 1.00 1.00 O ATOM 207 CB ILE A 8 0.372 2.110 -4.724 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.097 1.325 -3.625 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.670 3.042 -4.122 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.190 0.412 -2.826 1.00 1.00 C ATOM 0 H ILE A 8 1.536 0.806 -6.688 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.949 0.474 -5.170 1.00 1.00 H new ATOM 0 HB ILE A 8 1.108 2.714 -5.255 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.888 0.729 -4.079 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.578 2.029 -2.946 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.188 3.719 -3.417 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.143 3.620 -4.916 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.426 2.454 -3.601 1.00 1.00 H new ATOM 0 HD11 ILE A 8 0.775 -0.109 -2.068 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.587 1.004 -2.342 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.272 -0.316 -3.493 1.00 1.00 H new ATOM 222 N SER A 9 -2.407 1.685 -6.743 1.00 1.00 N ATOM 223 CA SER A 9 -3.299 2.362 -7.661 1.00 1.00 C ATOM 224 C SER A 9 -4.084 3.453 -6.941 1.00 1.00 C ATOM 225 O SER A 9 -5.044 3.170 -6.226 1.00 1.00 O ATOM 226 CB SER A 9 -4.259 1.350 -8.293 1.00 1.00 C ATOM 227 OG SER A 9 -5.009 1.927 -9.351 1.00 1.00 O ATOM 0 H SER A 9 -2.865 1.014 -6.126 1.00 1.00 H new ATOM 0 HA SER A 9 -2.704 2.829 -8.446 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.693 0.498 -8.671 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.939 0.968 -7.531 1.00 1.00 H new ATOM 0 HG SER A 9 -5.610 1.253 -9.732 1.00 1.00 H new ATOM 233 N ILE A 10 -3.658 4.695 -7.110 1.00 1.00 N ATOM 234 CA ILE A 10 -4.414 5.823 -6.591 1.00 1.00 C ATOM 235 C ILE A 10 -5.424 6.244 -7.645 1.00 1.00 C ATOM 236 O ILE A 10 -5.101 6.999 -8.565 1.00 1.00 O ATOM 237 CB ILE A 10 -3.503 7.019 -6.223 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.475 6.607 -5.163 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.338 8.189 -5.717 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.385 7.635 -4.947 1.00 1.00 C ATOM 0 H ILE A 10 -2.799 4.946 -7.599 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.915 5.514 -5.674 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.970 7.332 -7.121 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.990 6.431 -4.218 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.019 5.662 -5.459 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.682 9.021 -5.463 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -5.036 8.501 -6.494 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.895 7.883 -4.832 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.694 7.277 -4.184 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.845 7.794 -5.880 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.831 8.575 -4.621 1.00 1.00 H new ATOM 252 N GLY A 11 -6.631 5.711 -7.536 1.00 1.00 N ATOM 253 CA GLY A 11 -7.620 5.899 -8.573 1.00 1.00 C ATOM 254 C GLY A 11 -7.402 4.921 -9.707 1.00 1.00 C ATOM 255 O GLY A 11 -7.796 3.758 -9.619 1.00 1.00 O ATOM 0 H GLY A 11 -6.943 5.149 -6.744 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.619 5.765 -8.158 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.567 6.920 -8.952 1.00 1.00 H new ATOM 259 N ASN A 12 -6.758 5.383 -10.764 1.00 1.00 N ATOM 260 CA ASN A 12 -6.403 4.515 -11.877 1.00 1.00 C ATOM 261 C ASN A 12 -4.906 4.615 -12.163 1.00 1.00 C ATOM 262 O ASN A 12 -4.339 3.803 -12.896 1.00 1.00 O ATOM 263 CB ASN A 12 -7.217 4.884 -13.121 1.00 1.00 C ATOM 264 CG ASN A 12 -7.027 3.897 -14.257 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.178 4.087 -15.129 1.00 1.00 O ATOM 266 ND2 ASN A 12 -7.814 2.834 -14.253 1.00 1.00 N ATOM 0 H ASN A 12 -6.469 6.355 -10.877 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.637 3.485 -11.609 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -8.274 4.931 -12.858 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.928 5.880 -13.458 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -7.730 2.135 -14.991 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.505 2.714 -13.512 1.00 1.00 H new ATOM 273 N VAL A 13 -4.266 5.609 -11.562 1.00 1.00 N ATOM 274 CA VAL A 13 -2.839 5.820 -11.744 1.00 1.00 C ATOM 275 C VAL A 13 -2.046 4.874 -10.848 1.00 1.00 C ATOM 276 O VAL A 13 -2.112 4.959 -9.619 1.00 1.00 O ATOM 277 CB VAL A 13 -2.441 7.279 -11.439 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.948 7.478 -11.637 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.230 8.243 -12.312 1.00 1.00 C ATOM 0 H VAL A 13 -4.716 6.283 -10.943 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.605 5.613 -12.788 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.679 7.488 -10.396 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.687 8.513 -11.417 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.401 6.815 -10.967 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.684 7.249 -12.669 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.935 9.267 -12.082 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.025 8.034 -13.362 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.296 8.120 -12.118 1.00 1.00 H new ATOM 289 N VAL A 14 -1.305 3.971 -11.473 1.00 1.00 N ATOM 290 CA VAL A 14 -0.556 2.959 -10.743 1.00 1.00 C ATOM 291 C VAL A 14 0.889 3.392 -10.524 1.00 1.00 C ATOM 292 O VAL A 14 1.593 3.770 -11.465 1.00 1.00 O ATOM 293 CB VAL A 14 -0.582 1.601 -11.479 1.00 1.00 C ATOM 294 CG1 VAL A 14 0.188 0.545 -10.700 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.016 1.149 -11.719 1.00 1.00 C ATOM 0 H VAL A 14 -1.206 3.919 -12.487 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.040 2.842 -9.773 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.095 1.731 -12.445 1.00 1.00 H new ATOM 0 HG11 VAL A 14 0.154 -0.402 -11.239 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.225 0.861 -10.586 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.263 0.418 -9.716 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.013 0.191 -12.238 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.529 1.042 -10.763 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.534 1.890 -12.328 1.00 1.00 H new ATOM 305 N LYS A 15 1.313 3.343 -9.273 1.00 1.00 N ATOM 306 CA LYS A 15 2.674 3.677 -8.901 1.00 1.00 C ATOM 307 C LYS A 15 3.364 2.465 -8.285 1.00 1.00 C ATOM 308 O LYS A 15 2.815 1.813 -7.395 1.00 1.00 O ATOM 309 CB LYS A 15 2.686 4.835 -7.898 1.00 1.00 C ATOM 310 CG LYS A 15 3.237 6.136 -8.457 1.00 1.00 C ATOM 311 CD LYS A 15 2.259 6.823 -9.397 1.00 1.00 C ATOM 312 CE LYS A 15 2.818 8.151 -9.886 1.00 1.00 C ATOM 313 NZ LYS A 15 1.884 8.852 -10.804 1.00 1.00 N ATOM 0 H LYS A 15 0.722 3.070 -8.488 1.00 1.00 H new ATOM 0 HA LYS A 15 3.210 3.979 -9.801 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.669 5.006 -7.545 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.280 4.544 -7.031 1.00 1.00 H new ATOM 0 HG2 LYS A 15 3.479 6.808 -7.634 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.167 5.935 -8.988 1.00 1.00 H new ATOM 0 HD2 LYS A 15 2.051 6.175 -10.249 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.311 6.989 -8.884 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.031 8.791 -9.029 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.765 7.978 -10.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.315 9.743 -11.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.687 8.247 -11.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.995 9.057 -10.305 1.00 1.00 H new ATOM 327 N THR A 16 4.554 2.156 -8.771 1.00 1.00 N ATOM 328 CA THR A 16 5.355 1.085 -8.203 1.00 1.00 C ATOM 329 C THR A 16 5.999 1.554 -6.902 1.00 1.00 C ATOM 330 O THR A 16 6.788 2.500 -6.901 1.00 1.00 O ATOM 331 CB THR A 16 6.455 0.635 -9.183 1.00 1.00 C ATOM 332 OG1 THR A 16 5.884 0.361 -10.473 1.00 1.00 O ATOM 333 CG2 THR A 16 7.170 -0.606 -8.667 1.00 1.00 C ATOM 0 H THR A 16 4.988 2.634 -9.561 1.00 1.00 H new ATOM 0 HA THR A 16 4.697 0.239 -8.007 1.00 1.00 H new ATOM 0 HB THR A 16 7.181 1.443 -9.271 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.591 0.077 -11.090 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.942 -0.903 -9.377 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.629 -0.387 -7.703 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.452 -1.418 -8.551 1.00 1.00 H new ATOM 341 N MET A 17 5.647 0.914 -5.797 1.00 1.00 N ATOM 342 CA MET A 17 6.179 1.301 -4.499 1.00 1.00 C ATOM 343 C MET A 17 6.721 0.094 -3.755 1.00 1.00 C ATOM 344 O MET A 17 6.116 -0.979 -3.764 1.00 1.00 O ATOM 345 CB MET A 17 5.104 1.988 -3.658 1.00 1.00 C ATOM 346 CG MET A 17 4.699 3.360 -4.174 1.00 1.00 C ATOM 347 SD MET A 17 6.021 4.581 -4.028 1.00 1.00 S ATOM 348 CE MET A 17 6.268 4.598 -2.252 1.00 1.00 C ATOM 0 H MET A 17 4.998 0.128 -5.773 1.00 1.00 H new ATOM 0 HA MET A 17 6.996 2.002 -4.669 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.221 1.349 -3.623 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.466 2.088 -2.635 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.402 3.277 -5.219 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.827 3.708 -3.621 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.504 5.611 -1.927 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.359 4.261 -1.755 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.091 3.932 -1.993 1.00 1.00 H new ATOM 358 N GLN A 18 7.865 0.271 -3.116 1.00 1.00 N ATOM 359 CA GLN A 18 8.473 -0.793 -2.337 1.00 1.00 C ATOM 360 C GLN A 18 8.300 -0.515 -0.855 1.00 1.00 C ATOM 361 O GLN A 18 8.804 0.481 -0.334 1.00 1.00 O ATOM 362 CB GLN A 18 9.957 -0.941 -2.674 1.00 1.00 C ATOM 363 CG GLN A 18 10.221 -1.246 -4.138 1.00 1.00 C ATOM 364 CD GLN A 18 11.669 -1.603 -4.408 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.318 -2.235 -3.442 1.00 1.00 O flip ATOM 366 NE2 GLN A 18 12.199 -1.329 -5.483 1.00 1.00 N flip ATOM 0 H GLN A 18 8.392 1.144 -3.122 1.00 1.00 H new ATOM 0 HA GLN A 18 7.973 -1.728 -2.588 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.476 -0.021 -2.404 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.382 -1.738 -2.063 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.582 -2.071 -4.454 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.946 -0.381 -4.741 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.667 -0.841 -6.204 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.170 -1.590 -5.654 1.00 1.00 H new ATOM 375 N PHE A 19 7.572 -1.390 -0.189 1.00 1.00 N ATOM 376 CA PHE A 19 7.308 -1.254 1.230 1.00 1.00 C ATOM 377 C PHE A 19 8.149 -2.252 2.015 1.00 1.00 C ATOM 378 O PHE A 19 8.812 -3.111 1.433 1.00 1.00 O ATOM 379 CB PHE A 19 5.826 -1.501 1.518 1.00 1.00 C ATOM 380 CG PHE A 19 4.887 -0.590 0.777 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.612 0.680 1.256 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.268 -1.009 -0.391 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.742 1.518 0.584 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.397 -0.177 -1.065 1.00 1.00 C ATOM 385 CZ PHE A 19 3.133 1.088 -0.577 1.00 1.00 C ATOM 0 H PHE A 19 7.148 -2.214 -0.615 1.00 1.00 H new ATOM 0 HA PHE A 19 7.569 -0.241 1.536 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.587 -2.534 1.264 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.653 -1.388 2.588 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.083 1.020 2.166 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.470 -1.997 -0.778 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.539 2.507 0.967 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.922 -0.515 -1.974 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.451 1.739 -1.103 1.00 1.00 H new ATOM 395 N GLU A 20 8.119 -2.142 3.332 1.00 1.00 N ATOM 396 CA GLU A 20 8.807 -3.093 4.190 1.00 1.00 C ATOM 397 C GLU A 20 7.786 -4.004 4.858 1.00 1.00 C ATOM 398 O GLU A 20 6.699 -3.559 5.224 1.00 1.00 O ATOM 399 CB GLU A 20 9.629 -2.365 5.255 1.00 1.00 C ATOM 400 CG GLU A 20 10.632 -1.375 4.690 1.00 1.00 C ATOM 401 CD GLU A 20 11.369 -0.619 5.773 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.843 0.405 6.255 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.481 -1.044 6.151 1.00 1.00 O ATOM 0 H GLU A 20 7.625 -1.403 3.832 1.00 1.00 H new ATOM 0 HA GLU A 20 9.486 -3.689 3.580 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.951 -1.837 5.925 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.161 -3.103 5.856 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.352 -1.907 4.068 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.114 -0.666 4.044 1.00 1.00 H new ATOM 410 N PRO A 21 8.104 -5.298 5.007 1.00 1.00 N ATOM 411 CA PRO A 21 7.218 -6.253 5.683 1.00 1.00 C ATOM 412 C PRO A 21 6.840 -5.791 7.089 1.00 1.00 C ATOM 413 O PRO A 21 5.695 -5.936 7.520 1.00 1.00 O ATOM 414 CB PRO A 21 8.053 -7.534 5.747 1.00 1.00 C ATOM 415 CG PRO A 21 9.034 -7.406 4.633 1.00 1.00 C ATOM 416 CD PRO A 21 9.335 -5.938 4.512 1.00 1.00 C ATOM 0 HA PRO A 21 6.271 -6.375 5.156 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.557 -7.630 6.709 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.429 -8.419 5.625 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.940 -7.974 4.844 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.622 -7.798 3.703 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.203 -5.655 5.107 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.549 -5.655 3.481 1.00 1.00 H new ATOM 424 N SER A 22 7.800 -5.199 7.786 1.00 1.00 N ATOM 425 CA SER A 22 7.598 -4.766 9.163 1.00 1.00 C ATOM 426 C SER A 22 6.879 -3.413 9.232 1.00 1.00 C ATOM 427 O SER A 22 6.746 -2.822 10.307 1.00 1.00 O ATOM 428 CB SER A 22 8.946 -4.677 9.870 1.00 1.00 C ATOM 429 OG SER A 22 9.730 -5.832 9.609 1.00 1.00 O ATOM 0 H SER A 22 8.732 -5.006 7.418 1.00 1.00 H new ATOM 0 HA SER A 22 6.965 -5.501 9.661 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.479 -3.787 9.535 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.792 -4.572 10.944 1.00 1.00 H new ATOM 0 HG SER A 22 10.591 -5.754 10.070 1.00 1.00 H new ATOM 435 N THR A 23 6.418 -2.923 8.089 1.00 1.00 N ATOM 436 CA THR A 23 5.702 -1.659 8.038 1.00 1.00 C ATOM 437 C THR A 23 4.211 -1.871 8.289 1.00 1.00 C ATOM 438 O THR A 23 3.599 -2.786 7.734 1.00 1.00 O ATOM 439 CB THR A 23 5.909 -0.960 6.676 1.00 1.00 C ATOM 440 OG1 THR A 23 7.307 -0.756 6.446 1.00 1.00 O ATOM 441 CG2 THR A 23 5.190 0.379 6.622 1.00 1.00 C ATOM 0 H THR A 23 6.528 -3.383 7.185 1.00 1.00 H new ATOM 0 HA THR A 23 6.105 -1.019 8.823 1.00 1.00 H new ATOM 0 HB THR A 23 5.491 -1.604 5.902 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.435 -0.314 5.581 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.357 0.843 5.650 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.121 0.224 6.771 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.575 1.031 7.406 1.00 1.00 H new ATOM 449 N MET A 24 3.642 -1.042 9.154 1.00 1.00 N ATOM 450 CA MET A 24 2.210 -1.077 9.417 1.00 1.00 C ATOM 451 C MET A 24 1.466 -0.372 8.292 1.00 1.00 C ATOM 452 O MET A 24 2.024 0.493 7.621 1.00 1.00 O ATOM 453 CB MET A 24 1.897 -0.421 10.765 1.00 1.00 C ATOM 454 CG MET A 24 2.523 -1.140 11.950 1.00 1.00 C ATOM 455 SD MET A 24 2.242 -0.292 13.517 1.00 1.00 S ATOM 456 CE MET A 24 0.462 -0.424 13.666 1.00 1.00 C ATOM 0 H MET A 24 4.151 -0.336 9.686 1.00 1.00 H new ATOM 0 HA MET A 24 1.881 -2.115 9.462 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.249 0.610 10.749 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.816 -0.386 10.901 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.117 -2.150 12.011 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.596 -1.238 11.783 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.169 -0.244 14.700 1.00 1.00 H new ATOM 0 HE2 MET A 24 -0.013 0.315 13.020 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.145 -1.423 13.368 1.00 1.00 H new ATOM 466 N VAL A 25 0.209 -0.736 8.092 1.00 1.00 N ATOM 467 CA VAL A 25 -0.574 -0.222 6.975 1.00 1.00 C ATOM 468 C VAL A 25 -0.724 1.298 7.039 1.00 1.00 C ATOM 469 O VAL A 25 -0.636 1.973 6.012 1.00 1.00 O ATOM 470 CB VAL A 25 -1.963 -0.887 6.909 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.797 -0.302 5.778 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.816 -2.392 6.737 1.00 1.00 C ATOM 0 H VAL A 25 -0.295 -1.389 8.692 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.026 -0.472 6.067 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.482 -0.687 7.847 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.772 -0.790 5.755 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -2.930 0.768 5.940 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.287 -0.465 4.828 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.804 -2.851 6.692 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.276 -2.602 5.814 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.263 -2.803 7.582 1.00 1.00 H new ATOM 482 N TYR A 26 -0.924 1.847 8.236 1.00 1.00 N ATOM 483 CA TYR A 26 -1.046 3.296 8.383 1.00 1.00 C ATOM 484 C TYR A 26 0.270 3.968 8.000 1.00 1.00 C ATOM 485 O TYR A 26 0.294 5.090 7.500 1.00 1.00 O ATOM 486 CB TYR A 26 -1.445 3.689 9.818 1.00 1.00 C ATOM 487 CG TYR A 26 -0.285 3.813 10.788 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.247 2.696 11.416 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.279 5.054 11.066 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.307 2.811 12.295 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.340 5.176 11.940 1.00 1.00 C ATOM 492 CZ TYR A 26 1.852 4.052 12.552 1.00 1.00 C ATOM 493 OH TYR A 26 2.914 4.170 13.421 1.00 1.00 O ATOM 0 H TYR A 26 -1.004 1.320 9.106 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.837 3.637 7.715 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.976 4.640 9.785 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.144 2.946 10.202 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.174 1.722 11.215 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.120 5.937 10.590 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.707 1.932 12.779 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.767 6.147 12.143 1.00 1.00 H new ATOM 0 HH TYR A 26 3.178 5.111 13.489 1.00 1.00 H new ATOM 503 N ASP A 27 1.363 3.253 8.217 1.00 1.00 N ATOM 504 CA ASP A 27 2.688 3.788 7.927 1.00 1.00 C ATOM 505 C ASP A 27 2.989 3.641 6.442 1.00 1.00 C ATOM 506 O ASP A 27 3.690 4.459 5.851 1.00 1.00 O ATOM 507 CB ASP A 27 3.759 3.085 8.764 1.00 1.00 C ATOM 508 CG ASP A 27 5.089 3.813 8.717 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.189 4.907 9.305 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.040 3.305 8.092 1.00 1.00 O ATOM 0 H ASP A 27 1.361 2.304 8.591 1.00 1.00 H new ATOM 0 HA ASP A 27 2.701 4.846 8.190 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.422 3.014 9.798 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.891 2.066 8.401 1.00 1.00 H new ATOM 515 N ALA A 28 2.433 2.596 5.840 1.00 1.00 N ATOM 516 CA ALA A 28 2.513 2.410 4.400 1.00 1.00 C ATOM 517 C ALA A 28 1.740 3.515 3.687 1.00 1.00 C ATOM 518 O ALA A 28 2.134 3.975 2.615 1.00 1.00 O ATOM 519 CB ALA A 28 1.979 1.040 4.010 1.00 1.00 C ATOM 0 H ALA A 28 1.921 1.863 6.331 1.00 1.00 H new ATOM 0 HA ALA A 28 3.558 2.465 4.095 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.046 0.918 2.929 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.570 0.266 4.500 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.938 0.953 4.321 1.00 1.00 H new ATOM 525 N CYS A 29 0.637 3.943 4.299 1.00 1.00 N ATOM 526 CA CYS A 29 -0.113 5.093 3.810 1.00 1.00 C ATOM 527 C CYS A 29 0.774 6.337 3.823 1.00 1.00 C ATOM 528 O CYS A 29 0.723 7.165 2.913 1.00 1.00 O ATOM 529 CB CYS A 29 -1.361 5.325 4.668 1.00 1.00 C ATOM 530 SG CYS A 29 -2.491 3.915 4.731 1.00 1.00 S ATOM 0 H CYS A 29 0.245 3.509 5.134 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.431 4.893 2.787 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.049 5.572 5.683 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.899 6.190 4.280 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.996 2.996 5.506 1.00 1.00 H new ATOM 536 N ARG A 30 1.602 6.447 4.860 1.00 1.00 N ATOM 537 CA ARG A 30 2.572 7.530 4.960 1.00 1.00 C ATOM 538 C ARG A 30 3.553 7.471 3.795 1.00 1.00 C ATOM 539 O ARG A 30 3.869 8.491 3.184 1.00 1.00 O ATOM 540 CB ARG A 30 3.344 7.442 6.282 1.00 1.00 C ATOM 541 CG ARG A 30 4.486 8.441 6.384 1.00 1.00 C ATOM 542 CD ARG A 30 5.458 8.087 7.500 1.00 1.00 C ATOM 543 NE ARG A 30 5.968 6.719 7.375 1.00 1.00 N ATOM 544 CZ ARG A 30 6.975 6.356 6.577 1.00 1.00 C ATOM 545 NH1 ARG A 30 7.589 7.248 5.808 1.00 1.00 N ATOM 546 NH2 ARG A 30 7.361 5.086 6.541 1.00 1.00 N ATOM 0 H ARG A 30 1.619 5.795 5.645 1.00 1.00 H new ATOM 0 HA ARG A 30 2.030 8.475 4.927 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.653 7.606 7.109 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.742 6.434 6.395 1.00 1.00 H new ATOM 0 HG2 ARG A 30 5.021 8.477 5.435 1.00 1.00 H new ATOM 0 HG3 ARG A 30 4.081 9.438 6.559 1.00 1.00 H new ATOM 0 HD2 ARG A 30 6.293 8.787 7.488 1.00 1.00 H new ATOM 0 HD3 ARG A 30 4.960 8.201 8.463 1.00 1.00 H new ATOM 0 HE ARG A 30 5.523 5.993 7.937 1.00 1.00 H new ATOM 0 HH11 ARG A 30 7.293 8.224 5.822 1.00 1.00 H new ATOM 0 HH12 ARG A 30 8.357 6.957 5.203 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.889 4.393 7.121 1.00 1.00 H new ATOM 0 HH22 ARG A 30 8.130 4.804 5.933 1.00 1.00 H new ATOM 560 N MET A 31 4.012 6.264 3.485 1.00 1.00 N ATOM 561 CA MET A 31 4.978 6.061 2.413 1.00 1.00 C ATOM 562 C MET A 31 4.420 6.522 1.069 1.00 1.00 C ATOM 563 O MET A 31 5.167 6.982 0.209 1.00 1.00 O ATOM 564 CB MET A 31 5.396 4.591 2.334 1.00 1.00 C ATOM 565 CG MET A 31 6.070 4.086 3.600 1.00 1.00 C ATOM 566 SD MET A 31 6.569 2.356 3.497 1.00 1.00 S ATOM 567 CE MET A 31 7.790 2.429 2.190 1.00 1.00 C ATOM 0 H MET A 31 3.729 5.409 3.963 1.00 1.00 H new ATOM 0 HA MET A 31 5.856 6.665 2.641 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.516 3.981 2.132 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.075 4.459 1.492 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.947 4.699 3.806 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.389 4.212 4.442 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.567 1.688 2.376 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.312 2.220 1.233 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.236 3.423 2.164 1.00 1.00 H new ATOM 577 N ILE A 32 3.108 6.406 0.891 1.00 1.00 N ATOM 578 CA ILE A 32 2.477 6.871 -0.336 1.00 1.00 C ATOM 579 C ILE A 32 2.377 8.391 -0.364 1.00 1.00 C ATOM 580 O ILE A 32 2.765 9.015 -1.345 1.00 1.00 O ATOM 581 CB ILE A 32 1.078 6.240 -0.566 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.220 4.755 -0.896 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.329 6.966 -1.677 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.061 4.497 -2.124 1.00 1.00 C ATOM 0 H ILE A 32 2.468 5.999 1.573 1.00 1.00 H new ATOM 0 HA ILE A 32 3.121 6.543 -1.152 1.00 1.00 H new ATOM 0 HB ILE A 32 0.499 6.342 0.352 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.665 4.241 -0.044 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.229 4.326 -1.045 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.648 6.505 -1.819 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.200 8.013 -1.404 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.899 6.900 -2.604 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.123 3.424 -2.304 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.605 4.984 -2.986 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.063 4.897 -1.969 1.00 1.00 H new ATOM 596 N ARG A 33 1.892 8.989 0.719 1.00 1.00 N ATOM 597 CA ARG A 33 1.658 10.433 0.738 1.00 1.00 C ATOM 598 C ARG A 33 2.961 11.238 0.748 1.00 1.00 C ATOM 599 O ARG A 33 3.008 12.350 0.226 1.00 1.00 O ATOM 600 CB ARG A 33 0.769 10.839 1.922 1.00 1.00 C ATOM 601 CG ARG A 33 1.295 10.426 3.286 1.00 1.00 C ATOM 602 CD ARG A 33 0.407 10.964 4.398 1.00 1.00 C ATOM 603 NE ARG A 33 0.752 10.413 5.710 1.00 1.00 N ATOM 604 CZ ARG A 33 0.611 11.081 6.856 1.00 1.00 C ATOM 605 NH1 ARG A 33 0.185 12.339 6.850 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.892 10.487 8.009 1.00 1.00 N ATOM 0 H ARG A 33 1.655 8.506 1.586 1.00 1.00 H new ATOM 0 HA ARG A 33 1.135 10.672 -0.188 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.644 11.922 1.909 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.220 10.402 1.782 1.00 1.00 H new ATOM 0 HG2 ARG A 33 1.343 9.339 3.348 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.312 10.797 3.416 1.00 1.00 H new ATOM 0 HD2 ARG A 33 0.490 12.050 4.431 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.633 10.731 4.172 1.00 1.00 H new ATOM 0 HE ARG A 33 1.122 9.463 5.750 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -0.036 12.798 5.967 1.00 1.00 H new ATOM 0 HH12 ARG A 33 0.079 12.846 7.729 1.00 1.00 H new ATOM 0 HH21 ARG A 33 1.216 9.520 8.019 1.00 1.00 H new ATOM 0 HH22 ARG A 33 0.784 10.998 8.885 1.00 1.00 H new ATOM 620 N GLU A 34 4.019 10.695 1.335 1.00 1.00 N ATOM 621 CA GLU A 34 5.288 11.413 1.382 1.00 1.00 C ATOM 622 C GLU A 34 6.063 11.265 0.076 1.00 1.00 C ATOM 623 O GLU A 34 6.800 12.167 -0.323 1.00 1.00 O ATOM 624 CB GLU A 34 6.147 10.942 2.554 1.00 1.00 C ATOM 625 CG GLU A 34 5.512 11.185 3.911 1.00 1.00 C ATOM 626 CD GLU A 34 6.457 10.893 5.054 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.020 9.779 5.095 1.00 1.00 O ATOM 628 OE2 GLU A 34 6.634 11.773 5.922 1.00 1.00 O ATOM 0 H GLU A 34 4.027 9.776 1.778 1.00 1.00 H new ATOM 0 HA GLU A 34 5.053 12.468 1.524 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.347 9.876 2.442 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.109 11.452 2.516 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.181 12.222 3.973 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.624 10.561 4.010 1.00 1.00 H new ATOM 635 N ARG A 35 5.895 10.129 -0.590 1.00 1.00 N ATOM 636 CA ARG A 35 6.614 9.864 -1.832 1.00 1.00 C ATOM 637 C ARG A 35 5.819 10.401 -3.021 1.00 1.00 C ATOM 638 O ARG A 35 6.383 10.971 -3.954 1.00 1.00 O ATOM 639 CB ARG A 35 6.863 8.354 -1.982 1.00 1.00 C ATOM 640 CG ARG A 35 8.046 7.978 -2.874 1.00 1.00 C ATOM 641 CD ARG A 35 7.801 8.306 -4.338 1.00 1.00 C ATOM 642 NE ARG A 35 8.886 7.844 -5.202 1.00 1.00 N ATOM 643 CZ ARG A 35 9.250 8.456 -6.329 1.00 1.00 C ATOM 644 NH1 ARG A 35 8.671 9.598 -6.685 1.00 1.00 N ATOM 645 NH2 ARG A 35 10.199 7.929 -7.094 1.00 1.00 N ATOM 0 H ARG A 35 5.270 9.379 -0.293 1.00 1.00 H new ATOM 0 HA ARG A 35 7.578 10.372 -1.804 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.025 7.928 -0.992 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.962 7.891 -2.385 1.00 1.00 H new ATOM 0 HG2 ARG A 35 8.937 8.505 -2.531 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.248 6.912 -2.773 1.00 1.00 H new ATOM 0 HD2 ARG A 35 6.865 7.848 -4.658 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.684 9.384 -4.451 1.00 1.00 H new ATOM 0 HE ARG A 35 9.394 7.004 -4.926 1.00 1.00 H new ATOM 0 HH11 ARG A 35 7.947 10.008 -6.095 1.00 1.00 H new ATOM 0 HH12 ARG A 35 8.951 10.065 -7.548 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.649 7.056 -6.819 1.00 1.00 H new ATOM 0 HH22 ARG A 35 10.478 8.397 -7.956 1.00 1.00 H new ATOM 659 N ILE A 36 4.508 10.222 -2.976 1.00 1.00 N ATOM 660 CA ILE A 36 3.635 10.639 -4.062 1.00 1.00 C ATOM 661 C ILE A 36 2.655 11.704 -3.575 1.00 1.00 C ATOM 662 O ILE A 36 1.850 11.452 -2.680 1.00 1.00 O ATOM 663 CB ILE A 36 2.848 9.436 -4.638 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.808 8.347 -5.130 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.925 9.877 -5.766 1.00 1.00 C ATOM 666 CD1 ILE A 36 4.724 8.802 -6.247 1.00 1.00 C ATOM 0 H ILE A 36 4.022 9.787 -2.192 1.00 1.00 H new ATOM 0 HA ILE A 36 4.261 11.056 -4.851 1.00 1.00 H new ATOM 0 HB ILE A 36 2.235 9.023 -3.837 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.414 8.004 -4.292 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.227 7.491 -5.474 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.384 9.013 -6.153 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.213 10.611 -5.388 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.516 10.323 -6.566 1.00 1.00 H new ATOM 0 HD11 ILE A 36 5.374 7.979 -6.543 1.00 1.00 H new ATOM 0 HD12 ILE A 36 4.126 9.118 -7.102 1.00 1.00 H new ATOM 0 HD13 ILE A 36 5.332 9.638 -5.901 1.00 1.00 H new ATOM 678 N PRO A 37 2.689 12.903 -4.178 1.00 1.00 N ATOM 679 CA PRO A 37 1.838 14.032 -3.766 1.00 1.00 C ATOM 680 C PRO A 37 0.399 13.834 -4.214 1.00 1.00 C ATOM 681 O PRO A 37 -0.524 14.481 -3.717 1.00 1.00 O ATOM 682 CB PRO A 37 2.457 15.200 -4.526 1.00 1.00 C ATOM 683 CG PRO A 37 2.904 14.559 -5.785 1.00 1.00 C ATOM 684 CD PRO A 37 3.529 13.267 -5.336 1.00 1.00 C ATOM 0 HA PRO A 37 1.801 14.164 -2.685 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.734 15.995 -4.709 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.288 15.645 -3.979 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.068 14.383 -6.462 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.620 15.184 -6.318 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.499 12.507 -6.116 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.575 13.396 -5.057 1.00 1.00 H new ATOM 692 N GLU A 38 0.227 12.919 -5.158 1.00 1.00 N ATOM 693 CA GLU A 38 -1.063 12.672 -5.771 1.00 1.00 C ATOM 694 C GLU A 38 -2.060 12.119 -4.752 1.00 1.00 C ATOM 695 O GLU A 38 -3.272 12.272 -4.902 1.00 1.00 O ATOM 696 CB GLU A 38 -0.904 11.702 -6.943 1.00 1.00 C ATOM 697 CG GLU A 38 -0.083 12.278 -8.086 1.00 1.00 C ATOM 698 CD GLU A 38 0.336 11.239 -9.108 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.420 10.271 -9.337 1.00 1.00 O ATOM 700 OE2 GLU A 38 1.426 11.399 -9.701 1.00 1.00 O ATOM 0 H GLU A 38 0.978 12.330 -5.517 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.455 13.619 -6.142 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.430 10.787 -6.588 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -1.891 11.426 -7.315 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -0.663 13.055 -8.585 1.00 1.00 H new ATOM 0 HG3 GLU A 38 0.808 12.757 -7.679 1.00 1.00 H new ATOM 707 N ALA A 39 -1.530 11.477 -3.714 1.00 1.00 N ATOM 708 CA ALA A 39 -2.350 10.921 -2.646 1.00 1.00 C ATOM 709 C ALA A 39 -2.931 12.012 -1.745 1.00 1.00 C ATOM 710 O ALA A 39 -3.909 11.786 -1.031 1.00 1.00 O ATOM 711 CB ALA A 39 -1.519 9.957 -1.821 1.00 1.00 C ATOM 0 H ALA A 39 -0.528 11.329 -3.591 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.187 10.395 -3.104 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.132 9.540 -1.022 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.157 9.150 -2.459 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.670 10.486 -1.389 1.00 1.00 H new ATOM 717 N LEU A 40 -2.323 13.192 -1.772 1.00 1.00 N ATOM 718 CA LEU A 40 -2.738 14.282 -0.905 1.00 1.00 C ATOM 719 C LEU A 40 -3.967 14.989 -1.460 1.00 1.00 C ATOM 720 O LEU A 40 -3.873 15.788 -2.393 1.00 1.00 O ATOM 721 CB LEU A 40 -1.599 15.289 -0.717 1.00 1.00 C ATOM 722 CG LEU A 40 -0.436 14.831 0.171 1.00 1.00 C ATOM 723 CD1 LEU A 40 -0.916 14.545 1.584 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.258 13.613 -0.409 1.00 1.00 C ATOM 0 H LEU A 40 -1.540 13.416 -2.386 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.994 13.853 0.064 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.201 15.545 -1.699 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -2.015 16.203 -0.294 1.00 1.00 H new ATOM 0 HG LEU A 40 0.289 15.644 0.208 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -0.074 14.222 2.196 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -1.349 15.450 2.011 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -1.670 13.758 1.560 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.077 13.315 0.245 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.456 12.793 -0.493 1.00 1.00 H new ATOM 0 HD23 LEU A 40 0.652 13.854 -1.396 1.00 1.00 H new ATOM 736 N ALA A 41 -5.117 14.658 -0.897 1.00 1.00 N ATOM 737 CA ALA A 41 -6.366 15.322 -1.233 1.00 1.00 C ATOM 738 C ALA A 41 -7.197 15.506 0.029 1.00 1.00 C ATOM 739 O ALA A 41 -8.417 15.677 -0.021 1.00 1.00 O ATOM 740 CB ALA A 41 -7.130 14.517 -2.274 1.00 1.00 C ATOM 0 H ALA A 41 -5.211 13.923 -0.196 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.152 16.302 -1.659 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -8.063 15.027 -2.515 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.525 14.421 -3.176 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -7.350 13.526 -1.878 1.00 1.00 H new ATOM 746 N GLY A 42 -6.515 15.481 1.162 1.00 1.00 N ATOM 747 CA GLY A 42 -7.180 15.585 2.440 1.00 1.00 C ATOM 748 C GLY A 42 -6.407 14.871 3.528 1.00 1.00 C ATOM 749 O GLY A 42 -5.195 14.675 3.399 1.00 1.00 O ATOM 0 H GLY A 42 -5.501 15.389 1.218 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.298 16.636 2.706 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.181 15.161 2.366 1.00 1.00 H new ATOM 753 N PRO A 43 -7.078 14.468 4.615 1.00 1.00 N ATOM 754 CA PRO A 43 -6.443 13.745 5.713 1.00 1.00 C ATOM 755 C PRO A 43 -6.080 12.335 5.326 1.00 1.00 C ATOM 756 O PRO A 43 -6.798 11.676 4.572 1.00 1.00 O ATOM 757 CB PRO A 43 -7.497 13.752 6.831 1.00 1.00 C ATOM 758 CG PRO A 43 -8.581 14.669 6.364 1.00 1.00 C ATOM 759 CD PRO A 43 -8.506 14.685 4.865 1.00 1.00 C ATOM 0 HA PRO A 43 -5.504 14.210 6.013 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.884 12.749 7.010 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -7.068 14.100 7.771 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.557 14.319 6.700 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -8.444 15.671 6.770 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.119 13.901 4.420 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -8.851 15.633 4.452 1.00 1.00 H new ATOM 767 N PRO A 44 -4.951 11.851 5.847 1.00 1.00 N ATOM 768 CA PRO A 44 -4.405 10.574 5.439 1.00 1.00 C ATOM 769 C PRO A 44 -5.302 9.406 5.833 1.00 1.00 C ATOM 770 O PRO A 44 -5.268 8.349 5.212 1.00 1.00 O ATOM 771 CB PRO A 44 -3.058 10.495 6.162 1.00 1.00 C ATOM 772 CG PRO A 44 -3.187 11.424 7.318 1.00 1.00 C ATOM 773 CD PRO A 44 -4.118 12.514 6.867 1.00 1.00 C ATOM 0 HA PRO A 44 -4.313 10.505 4.355 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.847 9.478 6.494 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.240 10.792 5.506 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.584 10.908 8.192 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.217 11.831 7.602 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.720 12.895 7.692 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -3.573 13.362 6.452 1.00 1.00 H new ATOM 781 N ASN A 45 -6.119 9.619 6.858 1.00 1.00 N ATOM 782 CA ASN A 45 -7.009 8.578 7.361 1.00 1.00 C ATOM 783 C ASN A 45 -8.298 8.517 6.558 1.00 1.00 C ATOM 784 O ASN A 45 -9.150 7.662 6.803 1.00 1.00 O ATOM 785 CB ASN A 45 -7.329 8.804 8.838 1.00 1.00 C ATOM 786 CG ASN A 45 -6.141 8.545 9.743 1.00 1.00 C ATOM 787 OD1 ASN A 45 -5.283 7.613 9.354 1.00 1.00 O flip ATOM 788 ND2 ASN A 45 -6.002 9.172 10.790 1.00 1.00 N flip ATOM 0 H ASN A 45 -6.184 10.505 7.358 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.490 7.626 7.253 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.670 9.830 8.978 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.152 8.152 9.131 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.685 9.882 11.054 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.203 8.983 11.396 1.00 1.00 H new ATOM 795 N ASP A 46 -8.447 9.426 5.605 1.00 1.00 N ATOM 796 CA ASP A 46 -9.580 9.391 4.699 1.00 1.00 C ATOM 797 C ASP A 46 -9.273 8.419 3.573 1.00 1.00 C ATOM 798 O ASP A 46 -10.166 7.898 2.906 1.00 1.00 O ATOM 799 CB ASP A 46 -9.867 10.787 4.142 1.00 1.00 C ATOM 800 CG ASP A 46 -11.106 10.819 3.274 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.214 10.613 3.811 1.00 1.00 O ATOM 802 OD2 ASP A 46 -10.984 11.049 2.053 1.00 1.00 O ATOM 0 H ASP A 46 -7.797 10.195 5.441 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.469 9.060 5.236 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.988 11.487 4.969 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.010 11.126 3.560 1.00 1.00 H new ATOM 807 N PHE A 47 -7.985 8.164 3.397 1.00 1.00 N ATOM 808 CA PHE A 47 -7.506 7.232 2.396 1.00 1.00 C ATOM 809 C PHE A 47 -6.981 5.978 3.080 1.00 1.00 C ATOM 810 O PHE A 47 -6.663 5.998 4.270 1.00 1.00 O ATOM 811 CB PHE A 47 -6.395 7.874 1.561 1.00 1.00 C ATOM 812 CG PHE A 47 -6.794 9.168 0.913 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.462 9.175 -0.299 1.00 1.00 C ATOM 814 CD2 PHE A 47 -6.501 10.380 1.520 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.829 10.365 -0.896 1.00 1.00 C ATOM 816 CE2 PHE A 47 -6.867 11.573 0.928 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.532 11.565 -0.282 1.00 1.00 C ATOM 0 H PHE A 47 -7.244 8.600 3.947 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.330 6.966 1.734 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.529 8.050 2.199 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.083 7.172 0.787 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -7.699 8.239 -0.783 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -5.981 10.391 2.466 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.348 10.357 -1.843 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -6.633 12.510 1.411 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.819 12.496 -0.747 1.00 1.00 H new ATOM 827 N GLY A 48 -6.904 4.892 2.335 1.00 1.00 N ATOM 828 CA GLY A 48 -6.397 3.656 2.882 1.00 1.00 C ATOM 829 C GLY A 48 -5.901 2.723 1.803 1.00 1.00 C ATOM 830 O GLY A 48 -6.011 3.026 0.611 1.00 1.00 O ATOM 0 H GLY A 48 -7.185 4.844 1.356 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.585 3.873 3.576 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.183 3.163 3.455 1.00 1.00 H new ATOM 834 N LEU A 49 -5.358 1.591 2.216 1.00 1.00 N ATOM 835 CA LEU A 49 -4.856 0.599 1.283 1.00 1.00 C ATOM 836 C LEU A 49 -5.910 -0.463 1.016 1.00 1.00 C ATOM 837 O LEU A 49 -6.426 -1.095 1.940 1.00 1.00 O ATOM 838 CB LEU A 49 -3.575 -0.047 1.814 1.00 1.00 C ATOM 839 CG LEU A 49 -2.350 0.868 1.845 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.144 0.114 2.375 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.060 1.422 0.458 1.00 1.00 C ATOM 0 H LEU A 49 -5.253 1.336 3.198 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.623 1.103 0.345 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.762 -0.411 2.824 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.344 -0.917 1.199 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.561 1.704 2.512 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.279 0.777 2.392 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.351 -0.239 3.385 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.935 -0.739 1.729 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.185 2.071 0.501 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.868 0.599 -0.230 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.919 1.994 0.108 1.00 1.00 H new ATOM 853 N PHE A 50 -6.229 -0.649 -0.250 1.00 1.00 N ATOM 854 CA PHE A 50 -7.233 -1.615 -0.654 1.00 1.00 C ATOM 855 C PHE A 50 -6.585 -2.757 -1.424 1.00 1.00 C ATOM 856 O PHE A 50 -6.109 -2.573 -2.546 1.00 1.00 O ATOM 857 CB PHE A 50 -8.307 -0.931 -1.506 1.00 1.00 C ATOM 858 CG PHE A 50 -9.330 -1.872 -2.079 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.313 -2.424 -1.275 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.306 -2.201 -3.424 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.253 -3.288 -1.802 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.242 -3.064 -3.957 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.217 -3.610 -3.145 1.00 1.00 C ATOM 0 H PHE A 50 -5.803 -0.139 -1.024 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.707 -2.027 0.237 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.817 -0.184 -0.897 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.822 -0.398 -2.324 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.345 -2.176 -0.224 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.546 -1.777 -4.063 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.015 -3.711 -1.165 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.212 -3.312 -5.008 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.949 -4.287 -3.559 1.00 1.00 H new ATOM 873 N LEU A 51 -6.563 -3.930 -0.811 1.00 1.00 N ATOM 874 CA LEU A 51 -5.982 -5.112 -1.426 1.00 1.00 C ATOM 875 C LEU A 51 -6.831 -5.521 -2.621 1.00 1.00 C ATOM 876 O LEU A 51 -7.994 -5.889 -2.465 1.00 1.00 O ATOM 877 CB LEU A 51 -5.897 -6.251 -0.395 1.00 1.00 C ATOM 878 CG LEU A 51 -4.969 -7.424 -0.750 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.669 -8.241 0.496 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.584 -8.319 -1.819 1.00 1.00 C ATOM 0 H LEU A 51 -6.945 -4.089 0.121 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.972 -4.893 -1.771 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.567 -5.829 0.554 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.901 -6.645 -0.237 1.00 1.00 H new ATOM 0 HG LEU A 51 -4.043 -7.010 -1.149 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -4.011 -9.071 0.237 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.181 -7.608 1.237 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.600 -8.631 0.908 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.901 -9.138 -2.045 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.528 -8.724 -1.455 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.764 -7.736 -2.722 1.00 1.00 H new ATOM 892 N SER A 52 -6.258 -5.434 -3.809 1.00 1.00 N ATOM 893 CA SER A 52 -6.987 -5.759 -5.015 1.00 1.00 C ATOM 894 C SER A 52 -6.765 -7.213 -5.406 1.00 1.00 C ATOM 895 O SER A 52 -5.633 -7.700 -5.437 1.00 1.00 O ATOM 896 CB SER A 52 -6.568 -4.835 -6.152 1.00 1.00 C ATOM 897 OG SER A 52 -6.713 -3.476 -5.770 1.00 1.00 O ATOM 0 H SER A 52 -5.293 -5.142 -3.961 1.00 1.00 H new ATOM 0 HA SER A 52 -8.050 -5.616 -4.821 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.532 -5.033 -6.426 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.175 -5.037 -7.035 1.00 1.00 H new ATOM 0 HG SER A 52 -5.954 -2.958 -6.110 1.00 1.00 H new ATOM 903 N ASP A 53 -7.857 -7.892 -5.696 1.00 1.00 N ATOM 904 CA ASP A 53 -7.817 -9.285 -6.107 1.00 1.00 C ATOM 905 C ASP A 53 -8.274 -9.375 -7.557 1.00 1.00 C ATOM 906 O ASP A 53 -8.708 -8.371 -8.126 1.00 1.00 O ATOM 907 CB ASP A 53 -8.719 -10.126 -5.191 1.00 1.00 C ATOM 908 CG ASP A 53 -8.637 -11.614 -5.473 1.00 1.00 C ATOM 909 OD1 ASP A 53 -7.697 -12.272 -4.975 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.504 -12.134 -6.204 1.00 1.00 O ATOM 0 H ASP A 53 -8.796 -7.496 -5.654 1.00 1.00 H new ATOM 0 HA ASP A 53 -6.803 -9.676 -6.026 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.442 -9.944 -4.153 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.752 -9.797 -5.308 1.00 1.00 H new ATOM 915 N ASP A 54 -8.180 -10.549 -8.161 1.00 1.00 N ATOM 916 CA ASP A 54 -8.626 -10.725 -9.535 1.00 1.00 C ATOM 917 C ASP A 54 -10.149 -10.724 -9.594 1.00 1.00 C ATOM 918 O ASP A 54 -10.742 -10.540 -10.659 1.00 1.00 O ATOM 919 CB ASP A 54 -8.062 -12.013 -10.140 1.00 1.00 C ATOM 920 CG ASP A 54 -8.587 -13.268 -9.476 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.032 -13.669 -8.433 1.00 1.00 O ATOM 922 OD2 ASP A 54 -9.540 -13.875 -10.011 1.00 1.00 O ATOM 0 H ASP A 54 -7.801 -11.390 -7.725 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.250 -9.890 -10.127 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -8.305 -12.044 -11.202 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -6.975 -11.997 -10.062 1.00 1.00 H new ATOM 927 N ASP A 55 -10.776 -10.932 -8.444 1.00 1.00 N ATOM 928 CA ASP A 55 -12.219 -10.793 -8.320 1.00 1.00 C ATOM 929 C ASP A 55 -12.542 -9.690 -7.311 1.00 1.00 C ATOM 930 O ASP A 55 -12.057 -9.716 -6.181 1.00 1.00 O ATOM 931 CB ASP A 55 -12.863 -12.114 -7.898 1.00 1.00 C ATOM 932 CG ASP A 55 -14.374 -12.039 -7.884 1.00 1.00 C ATOM 933 OD1 ASP A 55 -14.980 -11.915 -8.972 1.00 1.00 O ATOM 934 OD2 ASP A 55 -14.968 -12.113 -6.794 1.00 1.00 O ATOM 0 H ASP A 55 -10.304 -11.199 -7.580 1.00 1.00 H new ATOM 0 HA ASP A 55 -12.630 -10.521 -9.292 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -12.547 -12.903 -8.580 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.506 -12.389 -6.905 1.00 1.00 H new ATOM 939 N PRO A 56 -13.365 -8.709 -7.716 1.00 1.00 N ATOM 940 CA PRO A 56 -13.621 -7.486 -6.934 1.00 1.00 C ATOM 941 C PRO A 56 -14.120 -7.736 -5.506 1.00 1.00 C ATOM 942 O PRO A 56 -13.730 -7.025 -4.579 1.00 1.00 O ATOM 943 CB PRO A 56 -14.695 -6.749 -7.747 1.00 1.00 C ATOM 944 CG PRO A 56 -15.242 -7.762 -8.693 1.00 1.00 C ATOM 945 CD PRO A 56 -14.114 -8.705 -8.980 1.00 1.00 C ATOM 0 HA PRO A 56 -12.695 -6.928 -6.794 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.477 -6.355 -7.098 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.269 -5.901 -8.283 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.090 -8.289 -8.255 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.599 -7.290 -9.608 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -14.475 -9.700 -9.240 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.501 -8.361 -9.813 1.00 1.00 H new ATOM 953 N LYS A 57 -14.958 -8.751 -5.313 1.00 1.00 N ATOM 954 CA LYS A 57 -15.560 -8.976 -3.999 1.00 1.00 C ATOM 955 C LYS A 57 -14.573 -9.651 -3.048 1.00 1.00 C ATOM 956 O LYS A 57 -14.859 -9.821 -1.863 1.00 1.00 O ATOM 957 CB LYS A 57 -16.846 -9.805 -4.108 1.00 1.00 C ATOM 958 CG LYS A 57 -16.621 -11.245 -4.529 1.00 1.00 C ATOM 959 CD LYS A 57 -17.924 -12.023 -4.572 1.00 1.00 C ATOM 960 CE LYS A 57 -17.696 -13.465 -4.995 1.00 1.00 C ATOM 961 NZ LYS A 57 -17.159 -13.561 -6.377 1.00 1.00 N ATOM 0 H LYS A 57 -15.233 -9.420 -6.033 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.818 -7.999 -3.590 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.355 -9.795 -3.144 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -17.513 -9.328 -4.826 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -16.150 -11.268 -5.512 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -15.932 -11.725 -3.834 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -18.395 -12.001 -3.589 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.613 -11.543 -5.267 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -17.002 -13.941 -4.302 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.635 -14.014 -4.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.271 -14.534 -6.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -17.679 -12.909 -6.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -16.150 -13.307 -6.376 1.00 1.00 H new ATOM 975 N LYS A 58 -13.413 -10.028 -3.567 1.00 1.00 N ATOM 976 CA LYS A 58 -12.373 -10.636 -2.747 1.00 1.00 C ATOM 977 C LYS A 58 -11.437 -9.559 -2.202 1.00 1.00 C ATOM 978 O LYS A 58 -10.622 -9.817 -1.316 1.00 1.00 O ATOM 979 CB LYS A 58 -11.574 -11.651 -3.564 1.00 1.00 C ATOM 980 CG LYS A 58 -12.420 -12.743 -4.200 1.00 1.00 C ATOM 981 CD LYS A 58 -13.034 -13.665 -3.160 1.00 1.00 C ATOM 982 CE LYS A 58 -13.799 -14.801 -3.820 1.00 1.00 C ATOM 983 NZ LYS A 58 -14.354 -15.752 -2.822 1.00 1.00 N ATOM 0 H LYS A 58 -13.168 -9.924 -4.552 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.848 -11.152 -1.913 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.032 -11.123 -4.349 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.828 -12.114 -2.918 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -13.212 -12.288 -4.794 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -11.804 -13.327 -4.884 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -12.250 -14.073 -2.522 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -13.705 -13.096 -2.516 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.611 -14.391 -4.420 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -13.137 -15.336 -4.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -14.868 -16.511 -3.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -13.578 -16.164 -2.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -15.005 -15.248 -2.187 1.00 1.00 H new ATOM 997 N GLY A 59 -11.567 -8.350 -2.739 1.00 1.00 N ATOM 998 CA GLY A 59 -10.725 -7.251 -2.310 1.00 1.00 C ATOM 999 C GLY A 59 -11.125 -6.722 -0.949 1.00 1.00 C ATOM 1000 O GLY A 59 -12.315 -6.590 -0.656 1.00 1.00 O ATOM 0 H GLY A 59 -12.243 -8.113 -3.465 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.687 -7.582 -2.279 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.781 -6.445 -3.042 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.139 -6.419 -0.116 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.400 -5.964 1.247 1.00 1.00 C ATOM 1006 C ILE A 60 -9.564 -4.739 1.590 1.00 1.00 C ATOM 1007 O ILE A 60 -8.502 -4.516 1.006 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.094 -7.064 2.286 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.644 -7.549 2.138 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.076 -8.219 2.144 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.232 -8.578 3.170 1.00 1.00 C ATOM 0 H ILE A 60 -9.150 -6.479 -0.358 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.460 -5.713 1.287 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.211 -6.645 3.285 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.513 -7.974 1.143 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.975 -6.691 2.208 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.846 -8.985 2.884 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.091 -7.855 2.302 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.995 -8.645 1.144 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.196 -8.870 2.999 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.328 -8.151 4.168 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.875 -9.454 3.087 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.051 -3.950 2.531 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.297 -2.821 3.045 1.00 1.00 C ATOM 1025 C TRP A 61 -8.359 -3.282 4.150 1.00 1.00 C ATOM 1026 O TRP A 61 -8.778 -3.979 5.073 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.238 -1.749 3.588 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.011 -1.035 2.531 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.271 -1.327 2.114 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.578 0.087 1.761 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.661 -0.446 1.136 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.635 0.432 0.900 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.401 0.836 1.719 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.547 1.495 0.009 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.318 1.888 0.832 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.382 2.208 -0.008 1.00 1.00 C ATOM 0 H TRP A 61 -10.970 -4.072 2.956 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.714 -2.396 2.228 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -10.936 -2.211 4.286 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.657 -1.021 4.154 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.877 -2.135 2.496 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.565 -0.445 0.663 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.572 0.596 2.368 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.368 1.748 -0.645 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.412 2.474 0.788 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.283 3.040 -0.689 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.094 -2.908 4.052 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.125 -3.252 5.077 1.00 1.00 C ATOM 1049 C LEU A 62 -6.291 -2.344 6.286 1.00 1.00 C ATOM 1050 O LEU A 62 -6.489 -1.134 6.143 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.691 -3.151 4.543 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.285 -4.216 3.521 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.880 -3.926 2.155 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.772 -4.313 3.434 1.00 1.00 C ATOM 0 H LEU A 62 -6.715 -2.367 3.274 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.307 -4.285 5.375 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.561 -2.169 4.088 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.004 -3.204 5.388 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.680 -5.174 3.858 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.573 -4.701 1.452 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.968 -3.912 2.227 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.528 -2.956 1.803 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.498 -5.074 2.704 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.363 -3.351 3.126 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.368 -4.584 4.409 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.232 -2.930 7.470 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.335 -2.169 8.703 1.00 1.00 C ATOM 1068 C GLU A 63 -5.053 -1.390 8.959 1.00 1.00 C ATOM 1069 O GLU A 63 -3.966 -1.962 8.987 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.625 -3.095 9.883 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.993 -3.753 9.826 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.217 -4.731 10.959 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.318 -4.289 12.126 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.310 -5.945 10.687 1.00 1.00 O ATOM 0 H GLU A 63 -6.113 -3.934 7.603 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.160 -1.464 8.598 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.860 -3.871 9.920 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.545 -2.525 10.808 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.764 -2.983 9.858 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.102 -4.274 8.875 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.194 -0.085 9.149 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.057 0.803 9.389 1.00 1.00 C ATOM 1083 C ALA A 64 -3.228 0.344 10.585 1.00 1.00 C ATOM 1084 O ALA A 64 -2.001 0.464 10.582 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.559 2.224 9.605 1.00 1.00 C ATOM 0 H ALA A 64 -6.097 0.390 9.142 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.409 0.774 8.513 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.712 2.886 9.784 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.099 2.558 8.719 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.226 2.247 10.467 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.903 -0.200 11.593 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.221 -0.664 12.787 1.00 1.00 C ATOM 1093 C GLY A 65 -2.616 -2.051 12.632 1.00 1.00 C ATOM 1094 O GLY A 65 -2.083 -2.609 13.592 1.00 1.00 O ATOM 0 H GLY A 65 -4.915 -0.328 11.603 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.432 0.043 13.044 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.925 -0.673 13.619 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.701 -2.612 11.434 1.00 1.00 N ATOM 1099 CA LYS A 66 -2.082 -3.902 11.146 1.00 1.00 C ATOM 1100 C LYS A 66 -0.829 -3.694 10.305 1.00 1.00 C ATOM 1101 O LYS A 66 -0.568 -2.586 9.843 1.00 1.00 O ATOM 1102 CB LYS A 66 -3.063 -4.826 10.417 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.264 -5.232 11.257 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.860 -6.113 12.428 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.032 -6.368 13.362 1.00 1.00 C ATOM 1106 NZ LYS A 66 -4.642 -7.186 14.542 1.00 1.00 N ATOM 0 H LYS A 66 -3.193 -2.195 10.644 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.808 -4.376 12.089 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.415 -4.327 9.514 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.534 -5.724 10.099 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.766 -4.339 11.630 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.982 -5.764 10.632 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.477 -7.063 12.055 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.050 -5.637 12.980 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.438 -5.415 13.701 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.826 -6.877 12.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.472 -7.335 15.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.278 -8.106 14.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -3.903 -6.690 15.079 1.00 1.00 H new ATOM 1120 N ALA A 67 -0.052 -4.750 10.119 1.00 1.00 N ATOM 1121 CA ALA A 67 1.173 -4.667 9.335 1.00 1.00 C ATOM 1122 C ALA A 67 0.978 -5.257 7.942 1.00 1.00 C ATOM 1123 O ALA A 67 0.054 -6.037 7.711 1.00 1.00 O ATOM 1124 CB ALA A 67 2.310 -5.378 10.056 1.00 1.00 C ATOM 0 H ALA A 67 -0.247 -5.676 10.500 1.00 1.00 H new ATOM 0 HA ALA A 67 1.430 -3.614 9.221 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.219 -5.308 9.459 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.476 -4.909 11.026 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.050 -6.427 10.200 1.00 1.00 H new ATOM 1130 N LEU A 68 1.855 -4.884 7.020 1.00 1.00 N ATOM 1131 CA LEU A 68 1.793 -5.382 5.649 1.00 1.00 C ATOM 1132 C LEU A 68 2.112 -6.873 5.598 1.00 1.00 C ATOM 1133 O LEU A 68 1.481 -7.633 4.860 1.00 1.00 O ATOM 1134 CB LEU A 68 2.770 -4.613 4.762 1.00 1.00 C ATOM 1135 CG LEU A 68 2.538 -3.105 4.698 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.609 -2.447 3.850 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.156 -2.794 4.144 1.00 1.00 C ATOM 0 H LEU A 68 2.622 -4.235 7.196 1.00 1.00 H new ATOM 0 HA LEU A 68 0.779 -5.231 5.279 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.783 -4.794 5.122 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.714 -5.017 3.751 1.00 1.00 H new ATOM 0 HG LEU A 68 2.596 -2.704 5.710 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.433 -1.372 3.812 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.589 -2.639 4.288 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.576 -2.856 2.840 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.013 -1.714 4.108 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.066 -3.206 3.139 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.397 -3.239 4.788 1.00 1.00 H new ATOM 1149 N ASP A 69 3.092 -7.285 6.396 1.00 1.00 N ATOM 1150 CA ASP A 69 3.489 -8.691 6.471 1.00 1.00 C ATOM 1151 C ASP A 69 2.357 -9.547 7.026 1.00 1.00 C ATOM 1152 O ASP A 69 2.214 -10.715 6.672 1.00 1.00 O ATOM 1153 CB ASP A 69 4.735 -8.843 7.341 1.00 1.00 C ATOM 1154 CG ASP A 69 5.129 -10.288 7.549 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.700 -10.892 6.620 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.877 -10.821 8.650 1.00 1.00 O ATOM 0 H ASP A 69 3.629 -6.665 7.002 1.00 1.00 H new ATOM 0 HA ASP A 69 3.716 -9.034 5.462 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.564 -8.308 6.878 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.556 -8.377 8.310 1.00 1.00 H new ATOM 1161 N TYR A 70 1.542 -8.942 7.883 1.00 1.00 N ATOM 1162 CA TYR A 70 0.378 -9.608 8.459 1.00 1.00 C ATOM 1163 C TYR A 70 -0.547 -10.118 7.362 1.00 1.00 C ATOM 1164 O TYR A 70 -1.098 -11.214 7.449 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.380 -8.626 9.349 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.616 -9.203 10.000 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.544 -10.343 10.790 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.854 -8.598 9.831 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.673 -10.864 11.391 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.987 -9.114 10.428 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.891 -10.247 11.207 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.017 -10.765 11.809 1.00 1.00 O ATOM 0 H TYR A 70 1.668 -7.980 8.197 1.00 1.00 H new ATOM 0 HA TYR A 70 0.719 -10.458 9.050 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.292 -8.266 10.128 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.668 -7.761 8.752 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.591 -10.829 10.937 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.932 -7.709 9.223 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -2.601 -11.751 12.003 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.943 -8.633 10.285 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.794 -10.213 11.580 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.699 -9.311 6.327 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.563 -9.644 5.209 1.00 1.00 C ATOM 1184 C TYR A 71 -0.833 -10.521 4.196 1.00 1.00 C ATOM 1185 O TYR A 71 -1.423 -10.961 3.206 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.060 -8.361 4.552 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.127 -7.652 5.352 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -2.789 -6.734 6.337 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -4.473 -7.905 5.125 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -3.762 -6.091 7.076 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -5.451 -7.265 5.857 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.090 -6.358 6.832 1.00 1.00 C ATOM 1193 OH TYR A 71 -6.063 -5.726 7.568 1.00 1.00 O ATOM 0 H TYR A 71 -0.229 -8.410 6.238 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.417 -10.211 5.580 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.217 -7.686 4.406 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.454 -8.597 3.563 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -1.748 -6.519 6.528 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -4.759 -8.615 4.363 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -3.483 -5.382 7.841 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -6.494 -7.473 5.668 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.946 -6.026 7.269 1.00 1.00 H new ATOM 1203 N MET A 72 0.447 -10.772 4.466 1.00 1.00 N ATOM 1204 CA MET A 72 1.289 -11.614 3.617 1.00 1.00 C ATOM 1205 C MET A 72 1.356 -11.076 2.192 1.00 1.00 C ATOM 1206 O MET A 72 1.282 -11.835 1.223 1.00 1.00 O ATOM 1207 CB MET A 72 0.789 -13.061 3.621 1.00 1.00 C ATOM 1208 CG MET A 72 0.898 -13.737 4.977 1.00 1.00 C ATOM 1209 SD MET A 72 0.436 -15.480 4.921 1.00 1.00 S ATOM 1210 CE MET A 72 1.645 -16.103 3.753 1.00 1.00 C ATOM 0 H MET A 72 0.931 -10.396 5.282 1.00 1.00 H new ATOM 0 HA MET A 72 2.298 -11.595 4.030 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.252 -13.078 3.298 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.359 -13.636 2.891 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.921 -13.647 5.343 1.00 1.00 H new ATOM 0 HG3 MET A 72 0.258 -13.218 5.690 1.00 1.00 H new ATOM 0 HE1 MET A 72 1.778 -17.174 3.903 1.00 1.00 H new ATOM 0 HE2 MET A 72 1.297 -15.920 2.736 1.00 1.00 H new ATOM 0 HE3 MET A 72 2.596 -15.594 3.908 1.00 1.00 H new ATOM 1220 N LEU A 73 1.505 -9.763 2.079 1.00 1.00 N ATOM 1221 CA LEU A 73 1.651 -9.114 0.783 1.00 1.00 C ATOM 1222 C LEU A 73 2.990 -9.488 0.162 1.00 1.00 C ATOM 1223 O LEU A 73 3.967 -9.714 0.878 1.00 1.00 O ATOM 1224 CB LEU A 73 1.555 -7.597 0.941 1.00 1.00 C ATOM 1225 CG LEU A 73 0.253 -7.088 1.560 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.323 -5.588 1.778 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.935 -7.440 0.676 1.00 1.00 C ATOM 0 H LEU A 73 1.528 -9.124 2.873 1.00 1.00 H new ATOM 0 HA LEU A 73 0.848 -9.452 0.127 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.388 -7.259 1.557 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.676 -7.137 -0.040 1.00 1.00 H new ATOM 0 HG LEU A 73 0.119 -7.575 2.526 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.611 -5.240 2.219 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.150 -5.356 2.449 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.481 -5.088 0.822 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.852 -7.069 1.134 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.808 -6.981 -0.304 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.997 -8.522 0.564 1.00 1.00 H new ATOM 1239 N ARG A 74 3.036 -9.561 -1.162 1.00 1.00 N ATOM 1240 CA ARG A 74 4.250 -9.963 -1.858 1.00 1.00 C ATOM 1241 C ARG A 74 4.464 -9.102 -3.093 1.00 1.00 C ATOM 1242 O ARG A 74 3.582 -8.332 -3.484 1.00 1.00 O ATOM 1243 CB ARG A 74 4.184 -11.440 -2.271 1.00 1.00 C ATOM 1244 CG ARG A 74 3.818 -12.388 -1.139 1.00 1.00 C ATOM 1245 CD ARG A 74 4.008 -13.842 -1.539 1.00 1.00 C ATOM 1246 NE ARG A 74 3.430 -14.141 -2.848 1.00 1.00 N ATOM 1247 CZ ARG A 74 2.511 -15.079 -3.064 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.955 -15.723 -2.048 1.00 1.00 N ATOM 1249 NH2 ARG A 74 2.121 -15.341 -4.303 1.00 1.00 N ATOM 0 H ARG A 74 2.248 -9.347 -1.774 1.00 1.00 H new ATOM 0 HA ARG A 74 5.086 -9.827 -1.173 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.453 -11.549 -3.072 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.151 -11.735 -2.679 1.00 1.00 H new ATOM 0 HG2 ARG A 74 4.433 -12.167 -0.267 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.781 -12.223 -0.848 1.00 1.00 H new ATOM 0 HD2 ARG A 74 5.073 -14.076 -1.553 1.00 1.00 H new ATOM 0 HD3 ARG A 74 3.550 -14.485 -0.787 1.00 1.00 H new ATOM 0 HE ARG A 74 3.752 -13.595 -3.647 1.00 1.00 H new ATOM 0 HH11 ARG A 74 2.231 -15.501 -1.091 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.251 -16.441 -2.223 1.00 1.00 H new ATOM 0 HH21 ARG A 74 2.525 -14.825 -5.085 1.00 1.00 H new ATOM 0 HH22 ARG A 74 1.417 -16.059 -4.475 1.00 1.00 H new ATOM 1263 N ASN A 75 5.634 -9.242 -3.702 1.00 1.00 N ATOM 1264 CA ASN A 75 5.967 -8.513 -4.920 1.00 1.00 C ATOM 1265 C ASN A 75 4.984 -8.860 -6.025 1.00 1.00 C ATOM 1266 O ASN A 75 4.712 -10.035 -6.272 1.00 1.00 O ATOM 1267 CB ASN A 75 7.384 -8.860 -5.394 1.00 1.00 C ATOM 1268 CG ASN A 75 8.449 -8.587 -4.350 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.330 -7.668 -3.544 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.495 -9.398 -4.355 1.00 1.00 N ATOM 0 H ASN A 75 6.375 -9.859 -3.369 1.00 1.00 H new ATOM 0 HA ASN A 75 5.913 -7.448 -4.696 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.419 -9.913 -5.672 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.610 -8.286 -6.292 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.242 -9.272 -3.672 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.555 -10.149 -5.042 1.00 1.00 H new ATOM 1277 N GLY A 76 4.433 -7.847 -6.670 1.00 1.00 N ATOM 1278 CA GLY A 76 3.577 -8.088 -7.813 1.00 1.00 C ATOM 1279 C GLY A 76 2.111 -7.847 -7.522 1.00 1.00 C ATOM 1280 O GLY A 76 1.317 -7.683 -8.446 1.00 1.00 O ATOM 0 H GLY A 76 4.561 -6.865 -6.425 1.00 1.00 H new ATOM 0 HA2 GLY A 76 3.888 -7.443 -8.634 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.710 -9.117 -8.148 1.00 1.00 H new ATOM 1284 N ASP A 77 1.742 -7.823 -6.249 1.00 1.00 N ATOM 1285 CA ASP A 77 0.347 -7.602 -5.880 1.00 1.00 C ATOM 1286 C ASP A 77 -0.034 -6.142 -6.060 1.00 1.00 C ATOM 1287 O ASP A 77 0.821 -5.253 -6.022 1.00 1.00 O ATOM 1288 CB ASP A 77 0.069 -8.049 -4.443 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.293 -9.519 -4.358 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.493 -9.854 -4.509 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.615 -10.350 -4.147 1.00 1.00 O ATOM 0 H ASP A 77 2.378 -7.952 -5.462 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.267 -8.209 -6.546 1.00 1.00 H new ATOM 0 HB2 ASP A 77 0.949 -7.858 -3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.744 -7.452 -4.030 1.00 1.00 H new ATOM 1296 N THR A 78 -1.317 -5.901 -6.264 1.00 1.00 N ATOM 1297 CA THR A 78 -1.813 -4.562 -6.504 1.00 1.00 C ATOM 1298 C THR A 78 -2.705 -4.104 -5.352 1.00 1.00 C ATOM 1299 O THR A 78 -3.589 -4.836 -4.905 1.00 1.00 O ATOM 1300 CB THR A 78 -2.608 -4.502 -7.826 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.826 -5.061 -8.893 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.987 -3.068 -8.177 1.00 1.00 C ATOM 0 H THR A 78 -2.037 -6.623 -6.268 1.00 1.00 H new ATOM 0 HA THR A 78 -0.953 -3.896 -6.576 1.00 1.00 H new ATOM 0 HB THR A 78 -3.523 -5.080 -7.694 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.337 -5.021 -9.728 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.546 -3.058 -9.113 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.604 -2.650 -7.382 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.083 -2.469 -8.288 1.00 1.00 H new ATOM 1310 N MET A 79 -2.455 -2.903 -4.860 1.00 1.00 N ATOM 1311 CA MET A 79 -3.298 -2.309 -3.839 1.00 1.00 C ATOM 1312 C MET A 79 -3.691 -0.906 -4.247 1.00 1.00 C ATOM 1313 O MET A 79 -2.868 -0.142 -4.748 1.00 1.00 O ATOM 1314 CB MET A 79 -2.597 -2.257 -2.480 1.00 1.00 C ATOM 1315 CG MET A 79 -2.287 -3.620 -1.888 1.00 1.00 C ATOM 1316 SD MET A 79 -1.970 -3.550 -0.116 1.00 1.00 S ATOM 1317 CE MET A 79 -0.676 -2.317 -0.059 1.00 1.00 C ATOM 0 H MET A 79 -1.672 -2.319 -5.153 1.00 1.00 H new ATOM 0 HA MET A 79 -4.184 -2.936 -3.742 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.667 -1.699 -2.585 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.224 -1.704 -1.781 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.123 -4.293 -2.077 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.418 -4.042 -2.392 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.085 -2.452 0.847 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.032 -2.425 -0.932 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.121 -1.322 -0.057 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.943 -0.568 -4.040 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.412 0.768 -4.334 1.00 1.00 C ATOM 1329 C GLU A 80 -5.293 1.648 -3.105 1.00 1.00 C ATOM 1330 O GLU A 80 -6.009 1.449 -2.125 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.870 0.759 -4.791 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.119 0.078 -6.120 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.540 0.289 -6.598 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.419 -0.528 -6.253 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.785 1.280 -7.314 1.00 1.00 O ATOM 0 H GLU A 80 -5.655 -1.198 -3.670 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.791 1.161 -5.139 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.471 0.265 -4.028 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.221 1.789 -4.856 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.423 0.466 -6.864 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.922 -0.990 -6.025 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.366 2.589 -3.131 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.367 3.635 -2.127 1.00 1.00 C ATOM 1344 C TYR A 81 -5.419 4.660 -2.536 1.00 1.00 C ATOM 1345 O TYR A 81 -5.212 5.454 -3.452 1.00 1.00 O ATOM 1346 CB TYR A 81 -2.979 4.277 -1.971 1.00 1.00 C ATOM 1347 CG TYR A 81 -2.905 5.323 -0.885 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.337 6.619 -1.120 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.397 5.018 0.368 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.269 7.581 -0.138 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.324 5.975 1.358 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.760 7.255 1.102 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.691 8.214 2.087 1.00 1.00 O ATOM 0 H TYR A 81 -3.618 2.650 -3.821 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.610 3.216 -1.150 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.250 3.495 -1.758 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.691 4.731 -2.919 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.734 6.878 -2.090 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.053 4.015 0.572 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.612 8.585 -0.337 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -1.927 5.721 2.330 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.309 7.821 2.900 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.554 4.609 -1.862 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.729 5.372 -2.261 1.00 1.00 C ATOM 1365 C ARG A 82 -8.555 5.740 -1.041 1.00 1.00 C ATOM 1366 O ARG A 82 -8.279 5.264 0.057 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.575 4.543 -3.238 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.754 3.099 -2.791 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.656 2.301 -3.721 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.066 2.642 -3.560 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.066 1.829 -3.904 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.814 0.691 -4.544 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.319 2.161 -3.625 1.00 1.00 N ATOM 0 H ARG A 82 -6.690 4.041 -1.026 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.407 6.289 -2.754 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.555 5.008 -3.347 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.104 4.558 -4.221 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -7.778 2.617 -2.737 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.173 3.084 -1.785 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.358 2.481 -4.754 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.519 1.237 -3.530 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.300 3.552 -3.163 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.853 0.437 -4.774 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.582 0.072 -4.805 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.519 3.039 -3.147 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.082 1.538 -3.889 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.559 6.588 -1.235 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.457 6.977 -0.155 1.00 1.00 C ATOM 1389 C LYS A 83 -11.128 5.741 0.431 1.00 1.00 C ATOM 1390 O LYS A 83 -11.854 5.032 -0.267 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.515 7.950 -0.676 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.388 8.558 0.408 1.00 1.00 C ATOM 1393 CD LYS A 83 -13.542 9.344 -0.197 1.00 1.00 C ATOM 1394 CE LYS A 83 -14.330 10.103 0.858 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.578 11.278 1.375 1.00 1.00 N ATOM 0 H LYS A 83 -9.772 7.020 -2.134 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.879 7.472 0.626 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -11.018 8.753 -1.220 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.152 7.428 -1.390 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.778 7.769 1.051 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.787 9.214 1.038 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.155 10.046 -0.935 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.208 8.662 -0.725 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.277 10.436 0.434 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.569 9.433 1.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -13.721 11.357 2.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -12.565 11.157 1.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -13.922 12.142 0.910 1.00 1.00 H new ATOM 1409 N LYS A 84 -10.881 5.480 1.706 1.00 1.00 N ATOM 1410 CA LYS A 84 -11.390 4.276 2.344 1.00 1.00 C ATOM 1411 C LYS A 84 -12.872 4.404 2.651 1.00 1.00 C ATOM 1412 O LYS A 84 -13.393 5.509 2.820 1.00 1.00 O ATOM 1413 CB LYS A 84 -10.611 3.963 3.626 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.674 5.062 4.676 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.075 4.605 5.997 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.875 3.461 6.607 1.00 1.00 C ATOM 1417 NZ LYS A 84 -12.229 3.894 7.050 1.00 1.00 N ATOM 0 H LYS A 84 -10.332 6.084 2.318 1.00 1.00 H new ATOM 0 HA LYS A 84 -11.253 3.451 1.645 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -10.999 3.040 4.058 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -9.568 3.781 3.369 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.138 5.941 4.317 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -11.711 5.361 4.829 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.045 4.286 5.840 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -10.047 5.443 6.694 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.973 2.659 5.876 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.330 3.052 7.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.678 3.129 7.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.144 4.740 7.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -12.812 4.116 6.218 1.00 1.00 H new ATOM 1431 N GLN A 85 -13.545 3.268 2.713 1.00 1.00 N ATOM 1432 CA GLN A 85 -14.962 3.229 3.014 1.00 1.00 C ATOM 1433 C GLN A 85 -15.250 2.051 3.937 1.00 1.00 C ATOM 1434 O GLN A 85 -15.451 0.928 3.424 1.00 1.00 O ATOM 1435 CB GLN A 85 -15.774 3.108 1.721 1.00 1.00 C ATOM 1436 CG GLN A 85 -17.273 3.271 1.917 1.00 1.00 C ATOM 1437 CD GLN A 85 -18.058 2.942 0.664 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -18.469 1.799 0.461 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.264 3.934 -0.188 1.00 1.00 N ATOM 1440 OXT GLN A 85 -15.245 2.247 5.168 1.00 1.00 O ATOM 0 H GLN A 85 -13.125 2.352 2.557 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.252 4.153 3.514 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -15.426 3.861 1.013 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -15.580 2.134 1.272 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -17.603 2.624 2.730 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -17.488 4.296 2.219 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -17.906 4.867 0.019 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.781 3.766 -1.051 1.00 1.00 H new TER 1449 GLN A 85