USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= -2.36 K(o=-1.3,f=-17!) USER MOD Set 1.2: B 1 MET N :NH3+ -137:sc= 1.1 (180deg=-0.51) USER MOD Set 2.1: A 1 MET N :NH3+ -139:sc= 1.1 (180deg=-0.445) USER MOD Set 2.2: B 35 ASN : amide:sc= -2.61 K(o=-1.5,f=-17!) USER MOD Single : A 1 MET CE :methyl 164:sc=-0.00178 (180deg=-0.108) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00295 USER MOD Single : A 13 MET CE :methyl 154:sc= -0.0439 (180deg=-0.589) USER MOD Single : A 19 THR OG1 : rot -85:sc= -0.507! USER MOD Single : A 21 THR OG1 : rot 79:sc= 0.0902 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= -0.267 (180deg=-0.341) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.026) USER MOD Single : A 48 TYR OH : rot -96:sc= -1.98 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.02 X(o=-1,f=-0.69) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 164:sc=-0.00573 (180deg=-0.121) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.118 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 MET CE :methyl 154:sc= -0.0333 (180deg=-0.583) USER MOD Single : B 19 THR OG1 : rot -87:sc= -0.277 USER MOD Single : B 21 THR OG1 : rot 80:sc= 0.0916 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 LYS NZ :NH3+ -174:sc= -0.273 (180deg=-0.322) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.019) USER MOD Single : B 48 TYR OH : rot -95:sc= -1.97 USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= -0.967 X(o=-0.97,f=-0.56) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.664 -10.749 -5.738 1.00 0.00 N ATOM 2 CA MET A 1 -2.649 -10.957 -4.266 1.00 0.00 C ATOM 3 C MET A 1 -1.238 -11.238 -3.763 1.00 0.00 C ATOM 4 O MET A 1 -0.707 -12.332 -3.956 1.00 0.00 O ATOM 5 CB MET A 1 -3.571 -12.131 -3.928 1.00 0.00 C ATOM 6 CG MET A 1 -4.917 -12.073 -4.634 1.00 0.00 C ATOM 7 SD MET A 1 -5.026 -13.221 -6.021 1.00 0.00 S ATOM 8 CE MET A 1 -5.126 -14.787 -5.158 1.00 0.00 C ATOM 0 H1 MET A 1 -3.305 -9.964 -5.971 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.704 -10.521 -6.066 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.993 -11.616 -6.208 1.00 0.00 H new ATOM 0 HA MET A 1 -2.999 -10.049 -3.775 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.071 -13.062 -4.193 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.736 -12.154 -2.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.708 -12.298 -3.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.091 -11.059 -4.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.479 -15.558 -5.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.140 -15.059 -4.782 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.821 -14.698 -4.323 1.00 0.00 H new ATOM 20 N LEU A 2 -0.634 -10.246 -3.116 1.00 0.00 N ATOM 21 CA LEU A 2 0.716 -10.391 -2.585 1.00 0.00 C ATOM 22 C LEU A 2 0.730 -10.191 -1.073 1.00 0.00 C ATOM 23 O LEU A 2 0.485 -9.088 -0.584 1.00 0.00 O ATOM 24 CB LEU A 2 1.657 -9.386 -3.251 1.00 0.00 C ATOM 25 CG LEU A 2 2.118 -9.765 -4.660 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.123 -9.269 -5.698 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.504 -9.203 -4.936 1.00 0.00 C ATOM 0 H LEU A 2 -1.058 -9.334 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 2 1.059 -11.402 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.157 -8.419 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.536 -9.261 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 2 2.169 -10.852 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.467 -9.547 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.148 -9.719 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.040 -8.184 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.816 -9.482 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.479 -8.117 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.211 -9.607 -4.212 1.00 0.00 H new ATOM 39 N ILE A 3 1.027 -11.257 -0.335 1.00 0.00 N ATOM 40 CA ILE A 3 1.082 -11.180 1.120 1.00 0.00 C ATOM 41 C ILE A 3 2.525 -11.185 1.606 1.00 0.00 C ATOM 42 O ILE A 3 3.209 -12.207 1.557 1.00 0.00 O ATOM 43 CB ILE A 3 0.298 -12.328 1.792 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.246 -12.118 3.307 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.917 -13.677 1.461 1.00 0.00 C ATOM 46 CD1 ILE A 3 -1.051 -12.579 3.937 1.00 0.00 C ATOM 0 H ILE A 3 1.232 -12.179 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 3 0.609 -10.240 1.406 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.720 -12.321 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.075 -12.654 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.390 -11.060 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.346 -14.468 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.903 -13.829 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.947 -13.702 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.017 -12.400 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.883 -12.025 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.187 -13.644 3.751 1.00 0.00 H new ATOM 58 N LEU A 4 2.979 -10.029 2.076 1.00 0.00 N ATOM 59 CA LEU A 4 4.339 -9.886 2.575 1.00 0.00 C ATOM 60 C LEU A 4 4.346 -9.360 4.006 1.00 0.00 C ATOM 61 O LEU A 4 3.748 -8.322 4.301 1.00 0.00 O ATOM 62 CB LEU A 4 5.141 -8.951 1.666 1.00 0.00 C ATOM 63 CG LEU A 4 6.152 -9.647 0.752 1.00 0.00 C ATOM 64 CD1 LEU A 4 7.334 -10.162 1.559 1.00 0.00 C ATOM 65 CD2 LEU A 4 5.489 -10.783 -0.013 1.00 0.00 C ATOM 0 H LEU A 4 2.422 -9.176 2.121 1.00 0.00 H new ATOM 0 HA LEU A 4 4.805 -10.871 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.445 -8.385 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.672 -8.231 2.289 1.00 0.00 H new ATOM 0 HG LEU A 4 6.521 -8.919 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.043 -10.654 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.825 -9.327 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.982 -10.875 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.224 -11.265 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.090 -11.512 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.677 -10.386 -0.623 1.00 0.00 H new ATOM 77 N THR A 5 5.020 -10.076 4.897 1.00 0.00 N ATOM 78 CA THR A 5 5.098 -9.661 6.290 1.00 0.00 C ATOM 79 C THR A 5 5.742 -8.286 6.399 1.00 0.00 C ATOM 80 O THR A 5 6.635 -7.946 5.623 1.00 0.00 O ATOM 81 CB THR A 5 5.894 -10.670 7.114 1.00 0.00 C ATOM 82 OG1 THR A 5 6.024 -11.899 6.421 1.00 0.00 O ATOM 83 CG2 THR A 5 5.264 -10.962 8.456 1.00 0.00 C ATOM 0 H THR A 5 5.517 -10.940 4.682 1.00 0.00 H new ATOM 0 HA THR A 5 4.083 -9.612 6.684 1.00 0.00 H new ATOM 0 HB THR A 5 6.869 -10.210 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.539 -12.529 6.967 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.875 -11.686 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.197 -10.041 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.264 -11.371 8.308 1.00 0.00 H new ATOM 91 N ARG A 6 5.282 -7.498 7.358 1.00 0.00 N ATOM 92 CA ARG A 6 5.813 -6.161 7.557 1.00 0.00 C ATOM 93 C ARG A 6 5.597 -5.687 8.989 1.00 0.00 C ATOM 94 O ARG A 6 4.594 -6.017 9.626 1.00 0.00 O ATOM 95 CB ARG A 6 5.158 -5.184 6.578 1.00 0.00 C ATOM 96 CG ARG A 6 6.146 -4.485 5.659 1.00 0.00 C ATOM 97 CD ARG A 6 7.214 -3.744 6.447 1.00 0.00 C ATOM 98 NE ARG A 6 8.436 -4.534 6.593 1.00 0.00 N ATOM 99 CZ ARG A 6 9.398 -4.592 5.675 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.288 -3.911 4.541 1.00 0.00 N ATOM 101 NH2 ARG A 6 10.475 -5.335 5.891 1.00 0.00 N ATOM 0 H ARG A 6 4.543 -7.762 8.010 1.00 0.00 H new ATOM 0 HA ARG A 6 6.886 -6.194 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.431 -5.724 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.607 -4.432 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.618 -5.219 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.613 -3.783 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.448 -2.805 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.826 -3.491 7.434 1.00 0.00 H new ATOM 0 HE ARG A 6 8.558 -5.073 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.462 -3.338 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.030 -3.961 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.566 -5.861 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.213 -5.380 5.188 1.00 0.00 H new ATOM 115 N ARG A 7 6.552 -4.905 9.477 1.00 0.00 N ATOM 116 CA ARG A 7 6.501 -4.355 10.825 1.00 0.00 C ATOM 117 C ARG A 7 7.780 -3.586 11.126 1.00 0.00 C ATOM 118 O ARG A 7 8.642 -4.054 11.870 1.00 0.00 O ATOM 119 CB ARG A 7 6.290 -5.460 11.861 1.00 0.00 C ATOM 120 CG ARG A 7 5.486 -5.006 13.069 1.00 0.00 C ATOM 121 CD ARG A 7 6.018 -5.615 14.356 1.00 0.00 C ATOM 122 NE ARG A 7 5.151 -5.328 15.496 1.00 0.00 N ATOM 123 CZ ARG A 7 5.150 -6.034 16.625 1.00 0.00 C ATOM 124 NH1 ARG A 7 5.970 -7.067 16.771 1.00 0.00 N ATOM 125 NH2 ARG A 7 4.328 -5.704 17.611 1.00 0.00 N ATOM 0 H ARG A 7 7.382 -4.635 8.950 1.00 0.00 H new ATOM 0 HA ARG A 7 5.654 -3.671 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.780 -6.299 11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.261 -5.825 12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.517 -3.919 13.140 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.441 -5.287 12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.112 -6.694 14.235 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.018 -5.228 14.554 1.00 0.00 H new ATOM 0 HE ARG A 7 4.508 -4.540 15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.606 -7.324 16.016 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.965 -7.604 17.638 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.697 -4.910 17.505 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.327 -6.244 18.476 1.00 0.00 H new ATOM 139 N VAL A 8 7.892 -2.402 10.532 1.00 0.00 N ATOM 140 CA VAL A 8 9.061 -1.548 10.717 1.00 0.00 C ATOM 141 C VAL A 8 8.950 -0.290 9.860 1.00 0.00 C ATOM 142 O VAL A 8 8.932 0.826 10.378 1.00 0.00 O ATOM 143 CB VAL A 8 10.379 -2.279 10.369 1.00 0.00 C ATOM 144 CG1 VAL A 8 11.043 -2.813 11.630 1.00 0.00 C ATOM 145 CG2 VAL A 8 10.140 -3.405 9.369 1.00 0.00 C ATOM 0 H VAL A 8 7.182 -2.010 9.914 1.00 0.00 H new ATOM 0 HA VAL A 8 9.086 -1.278 11.773 1.00 0.00 H new ATOM 0 HB VAL A 8 11.049 -1.557 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.969 -3.324 11.365 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.265 -1.985 12.303 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.371 -3.513 12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.085 -3.899 9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.444 -4.128 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.719 -2.994 8.452 1.00 0.00 H new ATOM 155 N GLY A 9 8.875 -0.479 8.545 1.00 0.00 N ATOM 156 CA GLY A 9 8.766 0.649 7.639 1.00 0.00 C ATOM 157 C GLY A 9 8.845 0.239 6.180 1.00 0.00 C ATOM 158 O GLY A 9 9.906 0.326 5.562 1.00 0.00 O ATOM 0 H GLY A 9 8.888 -1.393 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.821 1.163 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.562 1.362 7.855 1.00 0.00 H new ATOM 162 N GLU A 10 7.719 -0.206 5.628 1.00 0.00 N ATOM 163 CA GLU A 10 7.667 -0.625 4.231 1.00 0.00 C ATOM 164 C GLU A 10 7.752 0.586 3.304 1.00 0.00 C ATOM 165 O GLU A 10 8.173 1.665 3.721 1.00 0.00 O ATOM 166 CB GLU A 10 6.382 -1.412 3.961 1.00 0.00 C ATOM 167 CG GLU A 10 6.555 -2.535 2.949 1.00 0.00 C ATOM 168 CD GLU A 10 5.348 -2.695 2.045 1.00 0.00 C ATOM 169 OE1 GLU A 10 4.815 -1.666 1.578 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.935 -3.849 1.805 1.00 0.00 O ATOM 0 H GLU A 10 6.832 -0.285 6.126 1.00 0.00 H new ATOM 0 HA GLU A 10 8.522 -1.271 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.020 -1.833 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.615 -0.726 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.437 -2.338 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.735 -3.471 3.478 1.00 0.00 H new ATOM 177 N THR A 11 7.350 0.407 2.046 1.00 0.00 N ATOM 178 CA THR A 11 7.383 1.493 1.069 1.00 0.00 C ATOM 179 C THR A 11 7.052 0.982 -0.330 1.00 0.00 C ATOM 180 O THR A 11 7.946 0.605 -1.088 1.00 0.00 O ATOM 181 CB THR A 11 8.758 2.167 1.060 1.00 0.00 C ATOM 182 OG1 THR A 11 8.914 2.975 -0.093 1.00 0.00 O ATOM 183 CG2 THR A 11 9.908 1.182 1.088 1.00 0.00 C ATOM 0 H THR A 11 6.999 -0.478 1.681 1.00 0.00 H new ATOM 0 HA THR A 11 6.629 2.224 1.360 1.00 0.00 H new ATOM 0 HB THR A 11 8.791 2.766 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.798 3.398 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.853 1.725 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.846 0.576 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.854 0.535 0.213 1.00 0.00 H new ATOM 191 N LEU A 12 5.767 0.984 -0.673 1.00 0.00 N ATOM 192 CA LEU A 12 5.330 0.532 -1.990 1.00 0.00 C ATOM 193 C LEU A 12 4.824 1.714 -2.809 1.00 0.00 C ATOM 194 O LEU A 12 4.348 2.703 -2.252 1.00 0.00 O ATOM 195 CB LEU A 12 4.241 -0.547 -1.860 1.00 0.00 C ATOM 196 CG LEU A 12 2.790 -0.043 -1.812 1.00 0.00 C ATOM 197 CD1 LEU A 12 1.888 -0.925 -2.663 1.00 0.00 C ATOM 198 CD2 LEU A 12 2.288 0.001 -0.378 1.00 0.00 C ATOM 0 H LEU A 12 5.013 1.292 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 12 6.182 0.090 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.337 -1.234 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.434 -1.122 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 12 2.766 0.968 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.865 -0.552 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.233 -0.908 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.919 -1.947 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.259 0.360 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.329 -0.999 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.915 0.674 0.207 1.00 0.00 H new ATOM 210 N MET A 13 4.926 1.615 -4.130 1.00 0.00 N ATOM 211 CA MET A 13 4.473 2.693 -4.996 1.00 0.00 C ATOM 212 C MET A 13 3.621 2.167 -6.146 1.00 0.00 C ATOM 213 O MET A 13 4.143 1.679 -7.147 1.00 0.00 O ATOM 214 CB MET A 13 5.671 3.468 -5.547 1.00 0.00 C ATOM 215 CG MET A 13 5.281 4.649 -6.422 1.00 0.00 C ATOM 216 SD MET A 13 6.392 4.870 -7.825 1.00 0.00 S ATOM 217 CE MET A 13 5.224 4.888 -9.182 1.00 0.00 C ATOM 0 H MET A 13 5.314 0.808 -4.619 1.00 0.00 H new ATOM 0 HA MET A 13 3.855 3.361 -4.397 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.275 3.827 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.298 2.789 -6.125 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.264 4.505 -6.788 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.278 5.557 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.643 5.452 -10.015 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.021 3.866 -9.501 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.296 5.357 -8.857 1.00 0.00 H new ATOM 227 N ILE A 14 2.306 2.288 -6.000 1.00 0.00 N ATOM 228 CA ILE A 14 1.377 1.844 -7.030 1.00 0.00 C ATOM 229 C ILE A 14 0.687 3.045 -7.673 1.00 0.00 C ATOM 230 O ILE A 14 0.120 3.891 -6.983 1.00 0.00 O ATOM 231 CB ILE A 14 0.320 0.874 -6.454 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.627 0.381 -7.559 1.00 0.00 C ATOM 233 CG2 ILE A 14 -0.453 1.530 -5.317 1.00 0.00 C ATOM 234 CD1 ILE A 14 -1.682 1.387 -7.975 1.00 0.00 C ATOM 0 H ILE A 14 1.860 2.691 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 14 1.950 1.310 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 14 0.838 0.006 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.035 0.111 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.123 -0.527 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.191 0.829 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.238 1.810 -4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.959 2.421 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.306 0.957 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.302 1.640 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.197 2.288 -8.351 1.00 0.00 H new ATOM 246 N GLY A 15 0.746 3.118 -8.998 1.00 0.00 N ATOM 247 CA GLY A 15 0.133 4.225 -9.710 1.00 0.00 C ATOM 248 C GLY A 15 1.115 4.912 -10.640 1.00 0.00 C ATOM 249 O GLY A 15 1.415 4.400 -11.720 1.00 0.00 O ATOM 0 H GLY A 15 1.208 2.430 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.718 3.860 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.254 4.948 -8.992 1.00 0.00 H new ATOM 253 N ASP A 16 1.621 6.070 -10.223 1.00 0.00 N ATOM 254 CA ASP A 16 2.579 6.815 -11.036 1.00 0.00 C ATOM 255 C ASP A 16 3.286 7.914 -10.237 1.00 0.00 C ATOM 256 O ASP A 16 3.878 8.818 -10.825 1.00 0.00 O ATOM 257 CB ASP A 16 1.873 7.430 -12.247 1.00 0.00 C ATOM 258 CG ASP A 16 1.979 6.557 -13.482 1.00 0.00 C ATOM 259 OD1 ASP A 16 3.106 6.380 -13.989 1.00 0.00 O ATOM 260 OD2 ASP A 16 0.934 6.052 -13.943 1.00 0.00 O ATOM 0 H ASP A 16 1.386 6.510 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 16 3.339 6.108 -11.369 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.822 7.591 -12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.305 8.408 -12.458 1.00 0.00 H new ATOM 265 N GLU A 17 3.233 7.829 -8.903 1.00 0.00 N ATOM 266 CA GLU A 17 3.878 8.818 -8.028 1.00 0.00 C ATOM 267 C GLU A 17 3.256 8.799 -6.634 1.00 0.00 C ATOM 268 O GLU A 17 2.721 9.806 -6.170 1.00 0.00 O ATOM 269 CB GLU A 17 3.769 10.233 -8.612 1.00 0.00 C ATOM 270 CG GLU A 17 2.388 10.567 -9.154 1.00 0.00 C ATOM 271 CD GLU A 17 2.441 11.243 -10.510 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.693 12.466 -10.554 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.230 10.551 -11.528 1.00 0.00 O ATOM 0 H GLU A 17 2.749 7.083 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 17 4.931 8.546 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.031 10.956 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.500 10.343 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.801 9.652 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.872 11.218 -8.448 1.00 0.00 H new ATOM 280 N VAL A 18 3.316 7.649 -5.970 1.00 0.00 N ATOM 281 CA VAL A 18 2.750 7.506 -4.645 1.00 0.00 C ATOM 282 C VAL A 18 3.814 7.100 -3.616 1.00 0.00 C ATOM 283 O VAL A 18 5.005 7.327 -3.823 1.00 0.00 O ATOM 284 CB VAL A 18 1.617 6.467 -4.668 1.00 0.00 C ATOM 285 CG1 VAL A 18 0.609 6.796 -5.761 1.00 0.00 C ATOM 286 CG2 VAL A 18 2.176 5.062 -4.847 1.00 0.00 C ATOM 0 H VAL A 18 3.754 6.803 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 18 2.350 8.475 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 18 1.100 6.503 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.185 6.049 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.180 7.781 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.109 6.794 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.357 4.343 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.724 5.005 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.849 4.830 -4.021 1.00 0.00 H new ATOM 296 N THR A 19 3.369 6.498 -2.511 1.00 0.00 N ATOM 297 CA THR A 19 4.262 6.050 -1.442 1.00 0.00 C ATOM 298 C THR A 19 3.447 5.690 -0.203 1.00 0.00 C ATOM 299 O THR A 19 2.949 6.568 0.495 1.00 0.00 O ATOM 300 CB THR A 19 5.289 7.134 -1.089 1.00 0.00 C ATOM 301 OG1 THR A 19 4.841 8.412 -1.506 1.00 0.00 O ATOM 302 CG2 THR A 19 6.648 6.897 -1.712 1.00 0.00 C ATOM 0 H THR A 19 2.383 6.308 -2.333 1.00 0.00 H new ATOM 0 HA THR A 19 4.800 5.170 -1.795 1.00 0.00 H new ATOM 0 HB THR A 19 5.391 7.089 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.085 8.554 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.326 7.700 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.046 5.943 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.552 6.877 -2.798 1.00 0.00 H new ATOM 310 N VAL A 20 3.301 4.398 0.065 1.00 0.00 N ATOM 311 CA VAL A 20 2.529 3.950 1.219 1.00 0.00 C ATOM 312 C VAL A 20 3.361 3.071 2.149 1.00 0.00 C ATOM 313 O VAL A 20 3.766 1.968 1.780 1.00 0.00 O ATOM 314 CB VAL A 20 1.276 3.168 0.781 1.00 0.00 C ATOM 315 CG1 VAL A 20 0.399 2.840 1.980 1.00 0.00 C ATOM 316 CG2 VAL A 20 0.495 3.953 -0.261 1.00 0.00 C ATOM 0 H VAL A 20 3.703 3.647 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 20 2.227 4.848 1.758 1.00 0.00 H new ATOM 0 HB VAL A 20 1.598 2.229 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.480 2.288 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.963 2.233 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.085 3.764 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.387 3.385 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.186 4.909 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.125 4.128 -1.133 1.00 0.00 H new ATOM 326 N THR A 21 3.609 3.566 3.359 1.00 0.00 N ATOM 327 CA THR A 21 4.388 2.825 4.345 1.00 0.00 C ATOM 328 C THR A 21 3.479 2.232 5.419 1.00 0.00 C ATOM 329 O THR A 21 2.792 2.960 6.137 1.00 0.00 O ATOM 330 CB THR A 21 5.433 3.735 4.992 1.00 0.00 C ATOM 331 OG1 THR A 21 6.252 3.003 5.885 1.00 0.00 O ATOM 332 CG2 THR A 21 4.828 4.888 5.763 1.00 0.00 C ATOM 0 H THR A 21 3.281 4.477 3.679 1.00 0.00 H new ATOM 0 HA THR A 21 4.897 2.010 3.831 1.00 0.00 H new ATOM 0 HB THR A 21 6.015 4.139 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.928 2.507 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.624 5.494 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.230 5.502 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.193 4.500 6.560 1.00 0.00 H new ATOM 340 N VAL A 22 3.475 0.906 5.519 1.00 0.00 N ATOM 341 CA VAL A 22 2.646 0.214 6.500 1.00 0.00 C ATOM 342 C VAL A 22 3.405 -0.023 7.804 1.00 0.00 C ATOM 343 O VAL A 22 3.653 -1.167 8.187 1.00 0.00 O ATOM 344 CB VAL A 22 2.144 -1.137 5.956 1.00 0.00 C ATOM 345 CG1 VAL A 22 1.140 -0.922 4.834 1.00 0.00 C ATOM 346 CG2 VAL A 22 3.312 -1.988 5.480 1.00 0.00 C ATOM 0 H VAL A 22 4.037 0.289 4.932 1.00 0.00 H new ATOM 0 HA VAL A 22 1.790 0.860 6.699 1.00 0.00 H new ATOM 0 HB VAL A 22 1.642 -1.669 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.797 -1.888 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.289 -0.355 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.614 -0.369 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.938 -2.938 5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.845 -1.464 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.991 -2.172 6.313 1.00 0.00 H new ATOM 356 N LEU A 23 3.771 1.075 8.472 1.00 0.00 N ATOM 357 CA LEU A 23 4.510 1.034 9.744 1.00 0.00 C ATOM 358 C LEU A 23 4.528 -0.364 10.369 1.00 0.00 C ATOM 359 O LEU A 23 5.564 -1.029 10.388 1.00 0.00 O ATOM 360 CB LEU A 23 3.906 2.039 10.728 1.00 0.00 C ATOM 361 CG LEU A 23 4.895 2.642 11.726 1.00 0.00 C ATOM 362 CD1 LEU A 23 5.372 1.578 12.703 1.00 0.00 C ATOM 363 CD2 LEU A 23 6.074 3.268 10.997 1.00 0.00 C ATOM 0 H LEU A 23 3.564 2.020 8.148 1.00 0.00 H new ATOM 0 HA LEU A 23 5.544 1.301 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.447 2.849 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.108 1.546 11.283 1.00 0.00 H new ATOM 0 HG LEU A 23 4.387 3.426 12.289 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.076 2.021 13.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.518 1.175 13.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.865 0.775 12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.767 3.692 11.723 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.585 2.505 10.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.715 4.056 10.335 1.00 0.00 H new ATOM 375 N GLY A 24 3.377 -0.810 10.867 1.00 0.00 N ATOM 376 CA GLY A 24 3.290 -2.130 11.469 1.00 0.00 C ATOM 377 C GLY A 24 3.563 -2.127 12.963 1.00 0.00 C ATOM 378 O GLY A 24 2.837 -2.758 13.731 1.00 0.00 O ATOM 0 H GLY A 24 2.504 -0.282 10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.296 -2.539 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.002 -2.794 10.978 1.00 0.00 H new ATOM 382 N VAL A 25 4.613 -1.423 13.377 1.00 0.00 N ATOM 383 CA VAL A 25 4.977 -1.352 14.786 1.00 0.00 C ATOM 384 C VAL A 25 4.194 -0.253 15.494 1.00 0.00 C ATOM 385 O VAL A 25 4.028 0.843 14.960 1.00 0.00 O ATOM 386 CB VAL A 25 6.486 -1.088 14.978 1.00 0.00 C ATOM 387 CG1 VAL A 25 6.970 -1.693 16.287 1.00 0.00 C ATOM 388 CG2 VAL A 25 7.291 -1.629 13.804 1.00 0.00 C ATOM 0 H VAL A 25 5.226 -0.894 12.756 1.00 0.00 H new ATOM 0 HA VAL A 25 4.731 -2.321 15.220 1.00 0.00 H new ATOM 0 HB VAL A 25 6.638 -0.009 15.019 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.036 -1.497 16.406 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.424 -1.246 17.118 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.798 -2.769 16.276 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.350 -1.429 13.966 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.133 -2.704 13.720 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.966 -1.141 12.885 1.00 0.00 H new ATOM 398 N LYS A 26 3.710 -0.546 16.700 1.00 0.00 N ATOM 399 CA LYS A 26 2.940 0.423 17.475 1.00 0.00 C ATOM 400 C LYS A 26 2.404 -0.222 18.751 1.00 0.00 C ATOM 401 O LYS A 26 2.406 -1.445 18.884 1.00 0.00 O ATOM 402 CB LYS A 26 1.777 0.976 16.648 1.00 0.00 C ATOM 403 CG LYS A 26 1.588 2.477 16.790 1.00 0.00 C ATOM 404 CD LYS A 26 2.527 3.246 15.874 1.00 0.00 C ATOM 405 CE LYS A 26 2.559 4.725 16.224 1.00 0.00 C ATOM 406 NZ LYS A 26 3.892 5.331 15.956 1.00 0.00 N ATOM 0 H LYS A 26 3.838 -1.447 17.161 1.00 0.00 H new ATOM 0 HA LYS A 26 3.603 1.246 17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.943 0.737 15.598 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.858 0.473 16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.556 2.738 16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.766 2.771 17.825 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.532 2.831 15.950 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.209 3.123 14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.799 5.251 15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.307 4.854 17.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.872 6.340 16.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.615 4.846 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.122 5.231 14.947 1.00 0.00 H new ATOM 420 N GLY A 27 1.946 0.608 19.685 1.00 0.00 N ATOM 421 CA GLY A 27 1.409 0.098 20.937 1.00 0.00 C ATOM 422 C GLY A 27 0.302 -0.920 20.722 1.00 0.00 C ATOM 423 O GLY A 27 0.563 -2.057 20.330 1.00 0.00 O ATOM 0 H GLY A 27 1.937 1.624 19.598 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.213 -0.360 21.514 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.025 0.929 21.529 1.00 0.00 H new ATOM 427 N ASN A 28 -0.939 -0.512 20.971 1.00 0.00 N ATOM 428 CA ASN A 28 -2.084 -1.398 20.791 1.00 0.00 C ATOM 429 C ASN A 28 -2.631 -1.273 19.373 1.00 0.00 C ATOM 430 O ASN A 28 -2.976 -2.268 18.735 1.00 0.00 O ATOM 431 CB ASN A 28 -3.179 -1.068 21.807 1.00 0.00 C ATOM 432 CG ASN A 28 -3.073 -1.907 23.065 1.00 0.00 C ATOM 433 OD1 ASN A 28 -3.614 -3.010 23.137 1.00 0.00 O ATOM 434 ND2 ASN A 28 -2.372 -1.386 24.065 1.00 0.00 N ATOM 0 H ASN A 28 -1.177 0.425 21.297 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.755 -2.425 20.952 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.119 -0.012 22.072 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.155 -1.227 21.349 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.265 -1.904 24.937 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.940 -0.468 23.961 1.00 0.00 H new ATOM 441 N GLN A 29 -2.692 -0.040 18.887 1.00 0.00 N ATOM 442 CA GLN A 29 -3.179 0.240 17.542 1.00 0.00 C ATOM 443 C GLN A 29 -2.009 0.585 16.627 1.00 0.00 C ATOM 444 O GLN A 29 -1.109 1.326 17.020 1.00 0.00 O ATOM 445 CB GLN A 29 -4.187 1.390 17.572 1.00 0.00 C ATOM 446 CG GLN A 29 -5.424 1.138 16.725 1.00 0.00 C ATOM 447 CD GLN A 29 -6.411 0.204 17.397 1.00 0.00 C ATOM 448 OE1 GLN A 29 -6.548 -0.957 17.010 1.00 0.00 O ATOM 449 NE2 GLN A 29 -7.106 0.707 18.411 1.00 0.00 N ATOM 0 H GLN A 29 -2.408 0.789 19.409 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.679 -0.648 17.155 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.493 1.567 18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.698 2.300 17.224 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.915 2.088 16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.123 0.714 15.767 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.961 1.675 18.699 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.785 0.126 18.902 1.00 0.00 H new ATOM 458 N VAL A 30 -2.011 0.038 15.415 1.00 0.00 N ATOM 459 CA VAL A 30 -0.927 0.291 14.474 1.00 0.00 C ATOM 460 C VAL A 30 -1.249 1.463 13.557 1.00 0.00 C ATOM 461 O VAL A 30 -2.164 1.392 12.740 1.00 0.00 O ATOM 462 CB VAL A 30 -0.629 -0.951 13.612 1.00 0.00 C ATOM 463 CG1 VAL A 30 0.630 -0.738 12.787 1.00 0.00 C ATOM 464 CG2 VAL A 30 -0.500 -2.192 14.485 1.00 0.00 C ATOM 0 H VAL A 30 -2.745 -0.578 15.064 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.047 0.533 15.070 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.464 -1.103 12.928 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.825 -1.625 12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.495 0.123 12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.475 -0.558 13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.290 -3.058 13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.314 -2.053 15.197 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.432 -2.354 15.027 1.00 0.00 H new ATOM 474 N ARG A 31 -0.483 2.541 13.694 1.00 0.00 N ATOM 475 CA ARG A 31 -0.680 3.723 12.880 1.00 0.00 C ATOM 476 C ARG A 31 -0.141 3.502 11.472 1.00 0.00 C ATOM 477 O ARG A 31 1.066 3.572 11.241 1.00 0.00 O ATOM 478 CB ARG A 31 0.006 4.932 13.522 1.00 0.00 C ATOM 479 CG ARG A 31 -0.832 6.199 13.478 1.00 0.00 C ATOM 480 CD ARG A 31 -1.786 6.278 14.660 1.00 0.00 C ATOM 481 NE ARG A 31 -2.343 7.618 14.825 1.00 0.00 N ATOM 482 CZ ARG A 31 -1.693 8.626 15.403 1.00 0.00 C ATOM 483 NH1 ARG A 31 -0.463 8.450 15.871 1.00 0.00 N ATOM 484 NH2 ARG A 31 -2.274 9.813 15.514 1.00 0.00 N ATOM 0 H ARG A 31 0.281 2.615 14.365 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.750 3.919 12.815 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.241 4.697 14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.953 5.114 13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.177 7.070 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.400 6.229 12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.597 5.563 14.520 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.260 5.989 15.570 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.286 7.792 14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.011 7.539 15.789 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.030 9.226 16.313 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.219 9.954 15.157 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.776 10.585 15.957 1.00 0.00 H new ATOM 498 N ILE A 32 -1.040 3.215 10.539 1.00 0.00 N ATOM 499 CA ILE A 32 -0.648 2.962 9.159 1.00 0.00 C ATOM 500 C ILE A 32 -0.571 4.264 8.369 1.00 0.00 C ATOM 501 O ILE A 32 -1.481 5.091 8.428 1.00 0.00 O ATOM 502 CB ILE A 32 -1.638 1.996 8.477 1.00 0.00 C ATOM 503 CG1 ILE A 32 -1.964 0.827 9.417 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.066 1.489 7.160 1.00 0.00 C ATOM 505 CD1 ILE A 32 -0.801 -0.117 9.636 1.00 0.00 C ATOM 0 H ILE A 32 -2.043 3.152 10.712 1.00 0.00 H new ATOM 0 HA ILE A 32 0.340 2.502 9.174 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.561 2.533 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.285 1.225 10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.804 0.266 9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.778 0.809 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.880 2.333 6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.130 0.962 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.104 -0.918 10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.494 -0.544 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.034 0.430 10.075 1.00 0.00 H new ATOM 517 N GLY A 33 0.530 4.447 7.642 1.00 0.00 N ATOM 518 CA GLY A 33 0.713 5.660 6.867 1.00 0.00 C ATOM 519 C GLY A 33 0.566 5.439 5.377 1.00 0.00 C ATOM 520 O GLY A 33 1.302 4.652 4.782 1.00 0.00 O ATOM 0 H GLY A 33 1.296 3.777 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.014 6.405 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.702 6.069 7.072 1.00 0.00 H new ATOM 524 N VAL A 34 -0.386 6.142 4.772 1.00 0.00 N ATOM 525 CA VAL A 34 -0.627 6.025 3.341 1.00 0.00 C ATOM 526 C VAL A 34 -0.396 7.356 2.632 1.00 0.00 C ATOM 527 O VAL A 34 -1.228 8.261 2.700 1.00 0.00 O ATOM 528 CB VAL A 34 -2.062 5.547 3.050 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.223 5.194 1.580 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.420 4.362 3.935 1.00 0.00 C ATOM 0 H VAL A 34 -1.002 6.798 5.252 1.00 0.00 H new ATOM 0 HA VAL A 34 0.080 5.286 2.962 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.749 6.362 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.244 4.859 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.014 6.073 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.527 4.397 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.437 4.038 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.728 3.542 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.351 4.656 4.982 1.00 0.00 H new ATOM 540 N ASN A 35 0.738 7.466 1.949 1.00 0.00 N ATOM 541 CA ASN A 35 1.071 8.685 1.221 1.00 0.00 C ATOM 542 C ASN A 35 0.754 8.523 -0.261 1.00 0.00 C ATOM 543 O ASN A 35 1.444 7.806 -0.984 1.00 0.00 O ATOM 544 CB ASN A 35 2.548 9.043 1.411 1.00 0.00 C ATOM 545 CG ASN A 35 2.758 10.524 1.653 1.00 0.00 C ATOM 546 OD1 ASN A 35 1.822 11.319 1.563 1.00 0.00 O ATOM 547 ND2 ASN A 35 3.992 10.904 1.962 1.00 0.00 N ATOM 0 H ASN A 35 1.440 6.729 1.884 1.00 0.00 H new ATOM 0 HA ASN A 35 0.465 9.498 1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.950 8.480 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.109 8.739 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.194 11.889 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.738 10.211 2.026 1.00 0.00 H new ATOM 554 N ALA A 36 -0.303 9.191 -0.703 1.00 0.00 N ATOM 555 CA ALA A 36 -0.723 9.119 -2.097 1.00 0.00 C ATOM 556 C ALA A 36 -1.238 10.465 -2.601 1.00 0.00 C ATOM 557 O ALA A 36 -1.877 11.213 -1.861 1.00 0.00 O ATOM 558 CB ALA A 36 -1.791 8.049 -2.268 1.00 0.00 C ATOM 0 H ALA A 36 -0.886 9.789 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 36 0.150 8.854 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.097 8.004 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.389 7.082 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.653 8.293 -1.648 1.00 0.00 H new ATOM 564 N PRO A 37 -0.968 10.787 -3.880 1.00 0.00 N ATOM 565 CA PRO A 37 -1.408 12.042 -4.490 1.00 0.00 C ATOM 566 C PRO A 37 -2.867 11.987 -4.928 1.00 0.00 C ATOM 567 O PRO A 37 -3.412 10.910 -5.166 1.00 0.00 O ATOM 568 CB PRO A 37 -0.493 12.166 -5.705 1.00 0.00 C ATOM 569 CG PRO A 37 -0.224 10.758 -6.108 1.00 0.00 C ATOM 570 CD PRO A 37 -0.215 9.949 -4.835 1.00 0.00 C ATOM 0 HA PRO A 37 -1.349 12.883 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.972 12.725 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.429 12.692 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.991 10.396 -6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.731 10.678 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.689 8.978 -4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.801 9.761 -4.488 1.00 0.00 H new ATOM 578 N LYS A 38 -3.495 13.153 -5.032 1.00 0.00 N ATOM 579 CA LYS A 38 -4.893 13.231 -5.441 1.00 0.00 C ATOM 580 C LYS A 38 -5.014 13.437 -6.950 1.00 0.00 C ATOM 581 O LYS A 38 -5.923 14.122 -7.418 1.00 0.00 O ATOM 582 CB LYS A 38 -5.599 14.368 -4.702 1.00 0.00 C ATOM 583 CG LYS A 38 -5.449 14.297 -3.191 1.00 0.00 C ATOM 584 CD LYS A 38 -5.286 15.679 -2.581 1.00 0.00 C ATOM 585 CE LYS A 38 -4.956 15.598 -1.099 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.041 14.938 -0.323 1.00 0.00 N ATOM 0 H LYS A 38 -3.060 14.055 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.371 12.286 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.202 15.320 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.659 14.351 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.323 13.809 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.585 13.683 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.494 16.217 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.204 16.250 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.026 15.046 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.790 16.602 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.824 14.993 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.944 15.418 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.114 13.940 -0.608 1.00 0.00 H new ATOM 600 N GLU A 39 -4.095 12.842 -7.707 1.00 0.00 N ATOM 601 CA GLU A 39 -4.107 12.965 -9.160 1.00 0.00 C ATOM 602 C GLU A 39 -4.713 11.723 -9.807 1.00 0.00 C ATOM 603 O GLU A 39 -5.525 11.824 -10.726 1.00 0.00 O ATOM 604 CB GLU A 39 -2.687 13.185 -9.684 1.00 0.00 C ATOM 605 CG GLU A 39 -2.634 13.952 -10.995 1.00 0.00 C ATOM 606 CD GLU A 39 -1.497 14.953 -11.040 1.00 0.00 C ATOM 607 OE1 GLU A 39 -1.502 15.894 -10.219 1.00 0.00 O ATOM 608 OE2 GLU A 39 -0.600 14.795 -11.895 1.00 0.00 O ATOM 0 H GLU A 39 -3.335 12.271 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.722 13.826 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.111 13.726 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.205 12.217 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.525 13.247 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.579 14.474 -11.144 1.00 0.00 H new ATOM 615 N VAL A 40 -4.317 10.551 -9.317 1.00 0.00 N ATOM 616 CA VAL A 40 -4.827 9.292 -9.846 1.00 0.00 C ATOM 617 C VAL A 40 -6.092 8.868 -9.108 1.00 0.00 C ATOM 618 O VAL A 40 -6.338 9.300 -7.982 1.00 0.00 O ATOM 619 CB VAL A 40 -3.777 8.167 -9.744 1.00 0.00 C ATOM 620 CG1 VAL A 40 -4.265 6.914 -10.454 1.00 0.00 C ATOM 621 CG2 VAL A 40 -2.445 8.628 -10.317 1.00 0.00 C ATOM 0 H VAL A 40 -3.646 10.448 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.059 9.458 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.631 7.926 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.511 6.132 -10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.193 6.573 -9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.442 7.137 -11.506 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.716 7.822 -10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.574 8.898 -11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.090 9.495 -9.760 1.00 0.00 H new ATOM 631 N SER A 41 -6.896 8.023 -9.748 1.00 0.00 N ATOM 632 CA SER A 41 -8.137 7.550 -9.146 1.00 0.00 C ATOM 633 C SER A 41 -7.860 6.818 -7.838 1.00 0.00 C ATOM 634 O SER A 41 -7.517 5.635 -7.839 1.00 0.00 O ATOM 635 CB SER A 41 -8.879 6.628 -10.114 1.00 0.00 C ATOM 636 OG SER A 41 -10.281 6.710 -9.924 1.00 0.00 O ATOM 0 H SER A 41 -6.710 7.653 -10.680 1.00 0.00 H new ATOM 0 HA SER A 41 -8.762 8.417 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.632 6.899 -11.140 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.549 5.600 -9.967 1.00 0.00 H new ATOM 0 HG SER A 41 -10.732 6.112 -10.556 1.00 0.00 H new ATOM 642 N VAL A 42 -8.012 7.526 -6.723 1.00 0.00 N ATOM 643 CA VAL A 42 -7.781 6.940 -5.409 1.00 0.00 C ATOM 644 C VAL A 42 -9.025 7.052 -4.528 1.00 0.00 C ATOM 645 O VAL A 42 -9.505 8.153 -4.258 1.00 0.00 O ATOM 646 CB VAL A 42 -6.593 7.616 -4.696 1.00 0.00 C ATOM 647 CG1 VAL A 42 -6.872 9.094 -4.468 1.00 0.00 C ATOM 648 CG2 VAL A 42 -6.286 6.914 -3.381 1.00 0.00 C ATOM 0 H VAL A 42 -8.294 8.506 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.548 5.887 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.716 7.532 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.021 9.551 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.033 9.586 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.763 9.205 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.445 7.406 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.160 6.961 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.033 5.872 -3.575 1.00 0.00 H new ATOM 658 N HIS A 43 -9.539 5.912 -4.075 1.00 0.00 N ATOM 659 CA HIS A 43 -10.719 5.889 -3.219 1.00 0.00 C ATOM 660 C HIS A 43 -10.393 5.222 -1.888 1.00 0.00 C ATOM 661 O HIS A 43 -9.728 4.186 -1.852 1.00 0.00 O ATOM 662 CB HIS A 43 -11.865 5.148 -3.911 1.00 0.00 C ATOM 663 CG HIS A 43 -13.206 5.775 -3.683 1.00 0.00 C ATOM 664 ND1 HIS A 43 -14.299 5.530 -4.487 1.00 0.00 N ATOM 665 CD2 HIS A 43 -13.629 6.642 -2.732 1.00 0.00 C ATOM 666 CE1 HIS A 43 -15.335 6.218 -4.044 1.00 0.00 C ATOM 667 NE2 HIS A 43 -14.956 6.901 -2.980 1.00 0.00 N ATOM 0 H HIS A 43 -9.155 4.991 -4.287 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.030 6.917 -3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.668 5.110 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.889 4.118 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.035 7.053 -1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -16.324 6.221 -4.478 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.551 7.521 -2.431 1.00 0.00 H new ATOM 675 N ARG A 44 -10.862 5.815 -0.795 1.00 0.00 N ATOM 676 CA ARG A 44 -10.614 5.271 0.535 1.00 0.00 C ATOM 677 C ARG A 44 -11.800 5.543 1.455 1.00 0.00 C ATOM 678 O ARG A 44 -12.815 6.091 1.026 1.00 0.00 O ATOM 679 CB ARG A 44 -9.344 5.883 1.130 1.00 0.00 C ATOM 680 CG ARG A 44 -8.062 5.236 0.631 1.00 0.00 C ATOM 681 CD ARG A 44 -7.034 6.277 0.215 1.00 0.00 C ATOM 682 NE ARG A 44 -6.179 6.677 1.330 1.00 0.00 N ATOM 683 CZ ARG A 44 -5.075 7.408 1.193 1.00 0.00 C ATOM 684 NH1 ARG A 44 -4.689 7.821 -0.008 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.355 7.728 2.259 1.00 0.00 N ATOM 0 H ARG A 44 -11.415 6.672 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.481 4.193 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.319 6.947 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.385 5.798 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.644 4.604 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.287 4.587 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.417 5.876 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.546 7.154 -0.182 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.444 6.379 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.239 7.578 -0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.842 8.381 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.647 7.414 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.509 8.288 2.154 1.00 0.00 H new ATOM 699 N GLU A 45 -11.666 5.162 2.721 1.00 0.00 N ATOM 700 CA GLU A 45 -12.730 5.374 3.695 1.00 0.00 C ATOM 701 C GLU A 45 -13.069 6.857 3.809 1.00 0.00 C ATOM 702 O GLU A 45 -12.179 7.703 3.901 1.00 0.00 O ATOM 703 CB GLU A 45 -12.319 4.824 5.063 1.00 0.00 C ATOM 704 CG GLU A 45 -13.450 4.128 5.803 1.00 0.00 C ATOM 705 CD GLU A 45 -13.013 2.825 6.444 1.00 0.00 C ATOM 706 OE1 GLU A 45 -12.372 2.875 7.515 1.00 0.00 O ATOM 707 OE2 GLU A 45 -13.311 1.754 5.874 1.00 0.00 O ATOM 0 H GLU A 45 -10.834 4.706 3.096 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.616 4.840 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.496 4.122 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.944 5.643 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.840 4.794 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.267 3.931 5.108 1.00 0.00 H new ATOM 714 N GLU A 46 -14.362 7.167 3.795 1.00 0.00 N ATOM 715 CA GLU A 46 -14.819 8.549 3.891 1.00 0.00 C ATOM 716 C GLU A 46 -14.191 9.259 5.087 1.00 0.00 C ATOM 717 O GLU A 46 -13.493 10.259 4.928 1.00 0.00 O ATOM 718 CB GLU A 46 -16.345 8.595 3.999 1.00 0.00 C ATOM 719 CG GLU A 46 -17.041 8.854 2.673 1.00 0.00 C ATOM 720 CD GLU A 46 -18.373 9.559 2.842 1.00 0.00 C ATOM 721 OE1 GLU A 46 -19.079 9.264 3.829 1.00 0.00 O ATOM 722 OE2 GLU A 46 -18.710 10.404 1.987 1.00 0.00 O ATOM 0 H GLU A 46 -15.112 6.480 3.718 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.506 9.068 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.701 7.649 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.628 9.375 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.392 9.458 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.198 7.906 2.158 1.00 0.00 H new ATOM 729 N ILE A 47 -14.446 8.736 6.283 1.00 0.00 N ATOM 730 CA ILE A 47 -13.909 9.322 7.507 1.00 0.00 C ATOM 731 C ILE A 47 -12.388 9.451 7.445 1.00 0.00 C ATOM 732 O ILE A 47 -11.823 10.469 7.848 1.00 0.00 O ATOM 733 CB ILE A 47 -14.298 8.487 8.745 1.00 0.00 C ATOM 734 CG1 ILE A 47 -13.851 9.191 10.029 1.00 0.00 C ATOM 735 CG2 ILE A 47 -13.694 7.092 8.661 1.00 0.00 C ATOM 736 CD1 ILE A 47 -14.945 10.007 10.681 1.00 0.00 C ATOM 0 H ILE A 47 -15.022 7.907 6.431 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.345 10.317 7.596 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.383 8.389 8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.494 8.444 10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.008 9.844 9.802 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.979 6.518 9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.062 6.590 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.608 7.168 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.558 10.478 11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -15.286 10.777 9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.780 9.356 10.940 1.00 0.00 H new ATOM 748 N TYR A 48 -11.730 8.410 6.940 1.00 0.00 N ATOM 749 CA TYR A 48 -10.272 8.400 6.828 1.00 0.00 C ATOM 750 C TYR A 48 -9.749 9.705 6.233 1.00 0.00 C ATOM 751 O TYR A 48 -9.086 10.488 6.915 1.00 0.00 O ATOM 752 CB TYR A 48 -9.815 7.219 5.968 1.00 0.00 C ATOM 753 CG TYR A 48 -9.531 5.962 6.761 1.00 0.00 C ATOM 754 CD1 TYR A 48 -10.364 5.571 7.801 1.00 0.00 C ATOM 755 CD2 TYR A 48 -8.430 5.168 6.467 1.00 0.00 C ATOM 756 CE1 TYR A 48 -10.107 4.423 8.527 1.00 0.00 C ATOM 757 CE2 TYR A 48 -8.167 4.019 7.188 1.00 0.00 C ATOM 758 CZ TYR A 48 -9.008 3.651 8.217 1.00 0.00 C ATOM 759 OH TYR A 48 -8.749 2.508 8.937 1.00 0.00 O ATOM 0 H TYR A 48 -12.183 7.561 6.601 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.863 8.296 7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.583 7.003 5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.916 7.505 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.226 6.173 8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.769 5.453 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.764 4.132 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.307 3.412 6.947 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.101 2.707 9.645 1.00 0.00 H new ATOM 769 N GLN A 49 -10.044 9.932 4.957 1.00 0.00 N ATOM 770 CA GLN A 49 -9.595 11.140 4.273 1.00 0.00 C ATOM 771 C GLN A 49 -10.334 12.377 4.780 1.00 0.00 C ATOM 772 O GLN A 49 -9.856 13.500 4.623 1.00 0.00 O ATOM 773 CB GLN A 49 -9.798 10.997 2.763 1.00 0.00 C ATOM 774 CG GLN A 49 -11.179 10.492 2.379 1.00 0.00 C ATOM 775 CD GLN A 49 -11.635 11.012 1.029 1.00 0.00 C ATOM 776 OE1 GLN A 49 -11.243 10.489 -0.014 1.00 0.00 O ATOM 777 NE2 GLN A 49 -12.467 12.046 1.044 1.00 0.00 N ATOM 0 H GLN A 49 -10.591 9.297 4.376 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.534 11.268 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.629 11.964 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.047 10.313 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.171 9.402 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.897 10.793 3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.766 12.448 1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.808 12.439 0.167 1.00 0.00 H new ATOM 786 N ARG A 50 -11.501 12.170 5.384 1.00 0.00 N ATOM 787 CA ARG A 50 -12.298 13.276 5.904 1.00 0.00 C ATOM 788 C ARG A 50 -11.591 13.974 7.063 1.00 0.00 C ATOM 789 O ARG A 50 -11.870 15.135 7.361 1.00 0.00 O ATOM 790 CB ARG A 50 -13.671 12.774 6.359 1.00 0.00 C ATOM 791 CG ARG A 50 -14.775 13.009 5.340 1.00 0.00 C ATOM 792 CD ARG A 50 -16.002 12.162 5.642 1.00 0.00 C ATOM 793 NE ARG A 50 -16.456 12.326 7.023 1.00 0.00 N ATOM 794 CZ ARG A 50 -17.530 13.029 7.381 1.00 0.00 C ATOM 795 NH1 ARG A 50 -18.270 13.649 6.469 1.00 0.00 N ATOM 796 NH2 ARG A 50 -17.864 13.115 8.662 1.00 0.00 N ATOM 0 H ARG A 50 -11.915 11.248 5.525 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.428 13.999 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.606 11.707 6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.938 13.269 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.051 14.063 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.406 12.774 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.808 12.436 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.772 11.112 5.458 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.915 11.873 7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.019 13.590 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.090 14.184 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.299 12.644 9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.685 13.652 8.940 1.00 0.00 H new ATOM 810 N ILE A 51 -10.681 13.261 7.721 1.00 0.00 N ATOM 811 CA ILE A 51 -9.948 13.824 8.850 1.00 0.00 C ATOM 812 C ILE A 51 -8.479 14.065 8.510 1.00 0.00 C ATOM 813 O ILE A 51 -7.810 14.867 9.160 1.00 0.00 O ATOM 814 CB ILE A 51 -10.033 12.908 10.086 1.00 0.00 C ATOM 815 CG1 ILE A 51 -9.428 11.536 9.780 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.477 12.766 10.542 1.00 0.00 C ATOM 817 CD1 ILE A 51 -9.014 10.769 11.018 1.00 0.00 C ATOM 0 H ILE A 51 -10.435 12.298 7.493 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.419 14.781 9.076 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.459 13.363 10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.153 10.944 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.559 11.667 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.520 12.116 11.416 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.875 13.747 10.800 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.072 12.333 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.594 9.807 10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.265 11.340 11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.884 10.607 11.654 1.00 0.00 H new ATOM 829 N GLN A 52 -7.978 13.366 7.495 1.00 0.00 N ATOM 830 CA GLN A 52 -6.584 13.512 7.089 1.00 0.00 C ATOM 831 C GLN A 52 -6.463 14.278 5.773 1.00 0.00 C ATOM 832 O GLN A 52 -5.798 15.312 5.705 1.00 0.00 O ATOM 833 CB GLN A 52 -5.928 12.136 6.954 1.00 0.00 C ATOM 834 CG GLN A 52 -4.556 12.051 7.602 1.00 0.00 C ATOM 835 CD GLN A 52 -4.577 12.453 9.063 1.00 0.00 C ATOM 836 OE1 GLN A 52 -4.875 11.641 9.938 1.00 0.00 O ATOM 837 NE2 GLN A 52 -4.259 13.714 9.335 1.00 0.00 N ATOM 0 H GLN A 52 -8.513 12.697 6.942 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.070 14.084 7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.580 11.386 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.837 11.888 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.179 11.032 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.862 12.695 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.018 14.354 8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.256 14.042 10.301 1.00 0.00 H new ATOM 846 N ALA A 53 -7.102 13.760 4.730 1.00 0.00 N ATOM 847 CA ALA A 53 -7.059 14.388 3.416 1.00 0.00 C ATOM 848 C ALA A 53 -7.767 15.739 3.420 1.00 0.00 C ATOM 849 O ALA A 53 -7.123 16.787 3.371 1.00 0.00 O ATOM 850 CB ALA A 53 -7.673 13.468 2.371 1.00 0.00 C ATOM 0 H ALA A 53 -7.657 12.905 4.770 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.013 14.563 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.634 13.950 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.115 12.533 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.711 13.262 2.633 1.00 0.00 H new ATOM 856 N GLU A 54 -9.095 15.709 3.472 1.00 0.00 N ATOM 857 CA GLU A 54 -9.885 16.934 3.475 1.00 0.00 C ATOM 858 C GLU A 54 -10.672 17.077 4.773 1.00 0.00 C ATOM 859 O GLU A 54 -11.399 16.169 5.175 1.00 0.00 O ATOM 860 CB GLU A 54 -10.840 16.954 2.280 1.00 0.00 C ATOM 861 CG GLU A 54 -10.240 17.586 1.034 1.00 0.00 C ATOM 862 CD GLU A 54 -10.116 16.607 -0.117 1.00 0.00 C ATOM 863 OE1 GLU A 54 -11.135 15.981 -0.477 1.00 0.00 O ATOM 864 OE2 GLU A 54 -8.999 16.465 -0.659 1.00 0.00 O ATOM 0 H GLU A 54 -9.645 14.851 3.513 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.198 17.776 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.143 15.932 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.743 17.499 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.859 18.428 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.255 17.986 1.273 1.00 0.00 H new ATOM 871 N LYS A 55 -10.518 18.227 5.423 1.00 0.00 N ATOM 872 CA LYS A 55 -11.203 18.503 6.669 1.00 0.00 C ATOM 873 C LYS A 55 -12.716 18.496 6.475 1.00 0.00 C ATOM 874 O LYS A 55 -13.308 19.512 6.111 1.00 0.00 O ATOM 875 CB LYS A 55 -10.754 19.851 7.235 1.00 0.00 C ATOM 876 CG LYS A 55 -10.853 20.994 6.237 1.00 0.00 C ATOM 877 CD LYS A 55 -9.500 21.319 5.625 1.00 0.00 C ATOM 878 CE LYS A 55 -9.297 22.820 5.486 1.00 0.00 C ATOM 879 NZ LYS A 55 -8.629 23.173 4.203 1.00 0.00 N ATOM 0 H LYS A 55 -9.918 18.985 5.099 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.944 17.716 7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.361 20.089 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.722 19.767 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.556 20.729 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.251 21.879 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.708 20.900 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.420 20.848 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.262 23.324 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.697 23.184 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.509 24.204 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.697 22.713 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.214 22.848 3.406 1.00 0.00 H new ATOM 983 N MET B 1 0.133 12.945 2.686 1.00 0.00 N ATOM 984 CA MET B 1 0.477 12.156 3.899 1.00 0.00 C ATOM 985 C MET B 1 -0.752 11.927 4.773 1.00 0.00 C ATOM 986 O MET B 1 -1.217 12.838 5.457 1.00 0.00 O ATOM 987 CB MET B 1 1.549 12.912 4.688 1.00 0.00 C ATOM 988 CG MET B 1 2.685 13.437 3.824 1.00 0.00 C ATOM 989 SD MET B 1 2.569 15.211 3.523 1.00 0.00 S ATOM 990 CE MET B 1 3.000 15.857 5.137 1.00 0.00 C ATOM 0 H1 MET B 1 0.606 12.531 1.857 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.897 12.928 2.541 1.00 0.00 H new ATOM 0 H3 MET B 1 0.449 13.928 2.810 1.00 0.00 H new ATOM 0 HA MET B 1 0.853 11.179 3.594 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.083 13.749 5.208 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.960 12.251 5.451 1.00 0.00 H new ATOM 0 HG2 MET B 1 3.636 13.216 4.309 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.684 12.910 2.870 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.250 16.914 5.051 1.00 0.00 H new ATOM 0 HE2 MET B 1 2.154 15.738 5.814 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.858 15.312 5.530 1.00 0.00 H new ATOM 1002 N LEU B 2 -1.272 10.704 4.747 1.00 0.00 N ATOM 1003 CA LEU B 2 -2.446 10.357 5.541 1.00 0.00 C ATOM 1004 C LEU B 2 -2.127 9.232 6.520 1.00 0.00 C ATOM 1005 O LEU B 2 -1.871 8.099 6.112 1.00 0.00 O ATOM 1006 CB LEU B 2 -3.598 9.939 4.625 1.00 0.00 C ATOM 1007 CG LEU B 2 -4.337 11.094 3.946 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -3.655 11.469 2.640 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -5.793 10.724 3.703 1.00 0.00 C ATOM 0 H LEU B 2 -0.900 9.938 4.186 1.00 0.00 H new ATOM 0 HA LEU B 2 -2.743 11.237 6.111 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -3.207 9.275 3.854 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -4.315 9.362 5.209 1.00 0.00 H new ATOM 0 HG LEU B 2 -4.308 11.959 4.608 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -4.194 12.292 2.171 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -2.628 11.775 2.841 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -3.653 10.609 1.971 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -6.304 11.556 3.219 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -5.843 9.845 3.060 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -6.277 10.505 4.655 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.154 9.544 7.813 1.00 0.00 N ATOM 1022 CA ILE B 3 -1.878 8.546 8.839 1.00 0.00 C ATOM 1023 C ILE B 3 -3.164 8.113 9.530 1.00 0.00 C ATOM 1024 O ILE B 3 -3.751 8.864 10.309 1.00 0.00 O ATOM 1025 CB ILE B 3 -0.865 9.055 9.887 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.483 7.926 10.847 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -1.425 10.242 10.655 1.00 0.00 C ATOM 1028 CD1 ILE B 3 0.959 7.983 11.304 1.00 0.00 C ATOM 0 H ILE B 3 -2.363 10.475 8.173 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.434 7.688 8.335 1.00 0.00 H new ATOM 0 HB ILE B 3 0.031 9.387 9.362 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -1.134 7.966 11.720 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.663 6.968 10.359 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -0.691 10.581 11.387 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.646 11.053 9.961 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.339 9.944 11.169 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.159 7.153 11.982 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.618 7.912 10.439 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.140 8.925 11.821 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.594 6.892 9.235 1.00 0.00 N ATOM 1041 CA LEU B 4 -4.809 6.347 9.823 1.00 0.00 C ATOM 1042 C LEU B 4 -4.531 5.025 10.531 1.00 0.00 C ATOM 1043 O LEU B 4 -3.973 4.097 9.941 1.00 0.00 O ATOM 1044 CB LEU B 4 -5.877 6.150 8.743 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.008 7.180 8.755 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.923 6.953 9.949 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -6.444 8.594 8.774 1.00 0.00 C ATOM 0 H LEU B 4 -3.118 6.261 8.591 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.175 7.059 10.562 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.393 6.175 7.766 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.310 5.156 8.859 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.594 7.057 7.844 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.722 7.695 9.942 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -8.355 5.954 9.892 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.349 7.048 10.871 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.264 9.313 8.782 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.833 8.730 9.666 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.831 8.753 7.887 1.00 0.00 H new ATOM 1059 N THR B 5 -4.918 4.941 11.798 1.00 0.00 N ATOM 1060 CA THR B 5 -4.707 3.723 12.567 1.00 0.00 C ATOM 1061 C THR B 5 -5.424 2.551 11.911 1.00 0.00 C ATOM 1062 O THR B 5 -6.497 2.714 11.331 1.00 0.00 O ATOM 1063 CB THR B 5 -5.202 3.894 14.002 1.00 0.00 C ATOM 1064 OG1 THR B 5 -5.383 5.263 14.315 1.00 0.00 O ATOM 1065 CG2 THR B 5 -4.257 3.307 15.024 1.00 0.00 C ATOM 0 H THR B 5 -5.376 5.695 12.310 1.00 0.00 H new ATOM 0 HA THR B 5 -3.636 3.519 12.589 1.00 0.00 H new ATOM 0 HB THR B 5 -6.149 3.357 14.050 1.00 0.00 H new ATOM 0 HG1 THR B 5 -5.702 5.348 15.238 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.663 3.459 16.024 1.00 0.00 H new ATOM 0 HG22 THR B 5 -4.139 2.239 14.839 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.287 3.798 14.947 1.00 0.00 H new ATOM 1073 N ARG B 6 -4.824 1.374 12.001 1.00 0.00 N ATOM 1074 CA ARG B 6 -5.408 0.183 11.409 1.00 0.00 C ATOM 1075 C ARG B 6 -4.909 -1.080 12.101 1.00 0.00 C ATOM 1076 O ARG B 6 -3.761 -1.152 12.547 1.00 0.00 O ATOM 1077 CB ARG B 6 -5.083 0.125 9.915 1.00 0.00 C ATOM 1078 CG ARG B 6 -6.313 0.098 9.023 1.00 0.00 C ATOM 1079 CD ARG B 6 -7.229 -1.065 9.369 1.00 0.00 C ATOM 1080 NE ARG B 6 -8.312 -0.662 10.265 1.00 0.00 N ATOM 1081 CZ ARG B 6 -9.452 -0.110 9.853 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -9.665 0.110 8.561 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -10.382 0.225 10.737 1.00 0.00 N ATOM 0 H ARG B 6 -3.935 1.219 12.477 1.00 0.00 H new ATOM 0 HA ARG B 6 -6.489 0.237 11.541 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -4.473 0.989 9.651 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -4.482 -0.763 9.717 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -6.859 1.036 9.127 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -6.005 0.022 7.980 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -7.651 -1.479 8.453 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -6.647 -1.858 9.838 1.00 0.00 H new ATOM 0 HE ARG B 6 -8.187 -0.813 11.266 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -8.953 -0.144 7.876 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -10.541 0.533 8.253 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -10.224 0.060 11.731 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -11.255 0.648 10.423 1.00 0.00 H new ATOM 1097 N ARG B 7 -5.789 -2.071 12.176 1.00 0.00 N ATOM 1098 CA ARG B 7 -5.475 -3.352 12.795 1.00 0.00 C ATOM 1099 C ARG B 7 -6.712 -4.240 12.816 1.00 0.00 C ATOM 1100 O ARG B 7 -7.336 -4.435 13.858 1.00 0.00 O ATOM 1101 CB ARG B 7 -4.937 -3.158 14.213 1.00 0.00 C ATOM 1102 CG ARG B 7 -3.918 -4.211 14.618 1.00 0.00 C ATOM 1103 CD ARG B 7 -4.085 -4.619 16.073 1.00 0.00 C ATOM 1104 NE ARG B 7 -3.006 -5.497 16.521 1.00 0.00 N ATOM 1105 CZ ARG B 7 -2.684 -5.685 17.799 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -3.356 -5.062 18.759 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -1.687 -6.499 18.118 1.00 0.00 N ATOM 0 H ARG B 7 -6.739 -2.009 11.810 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.699 -3.837 12.203 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -4.480 -2.171 14.289 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -5.770 -3.178 14.916 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -4.026 -5.087 13.979 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -2.911 -3.824 14.461 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -4.111 -3.727 16.699 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -5.042 -5.126 16.200 1.00 0.00 H new ATOM 0 HE ARG B 7 -2.468 -5.995 15.812 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -4.124 -4.435 18.519 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -3.104 -5.210 19.736 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -1.167 -6.981 17.384 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -1.440 -6.643 19.097 1.00 0.00 H new ATOM 1121 N VAL B 8 -7.058 -4.770 11.647 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.222 -5.639 11.503 1.00 0.00 C ATOM 1123 C VAL B 8 -8.421 -6.036 10.043 1.00 0.00 C ATOM 1124 O VAL B 8 -8.379 -7.217 9.700 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.518 -4.971 12.024 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -9.824 -5.432 13.440 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -9.420 -3.451 11.961 1.00 0.00 C ATOM 0 H VAL B 8 -6.545 -4.612 10.780 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.025 -6.525 12.106 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.338 -5.278 11.375 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -10.738 -4.952 13.789 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -9.956 -6.514 13.450 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -8.998 -5.161 14.097 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -10.345 -3.011 12.333 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.585 -3.114 12.575 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -9.260 -3.139 10.929 1.00 0.00 H new ATOM 1137 N GLY B 9 -8.635 -5.040 9.187 1.00 0.00 N ATOM 1138 CA GLY B 9 -8.835 -5.308 7.774 1.00 0.00 C ATOM 1139 C GLY B 9 -9.213 -4.065 6.991 1.00 0.00 C ATOM 1140 O GLY B 9 -10.391 -3.825 6.728 1.00 0.00 O ATOM 0 H GLY B 9 -8.673 -4.054 9.446 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -7.922 -5.732 7.356 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -9.617 -6.058 7.658 1.00 0.00 H new ATOM 1144 N GLU B 10 -8.212 -3.275 6.613 1.00 0.00 N ATOM 1145 CA GLU B 10 -8.447 -2.054 5.850 1.00 0.00 C ATOM 1146 C GLU B 10 -8.848 -2.388 4.413 1.00 0.00 C ATOM 1147 O GLU B 10 -9.252 -3.513 4.122 1.00 0.00 O ATOM 1148 CB GLU B 10 -7.196 -1.171 5.861 1.00 0.00 C ATOM 1149 CG GLU B 10 -7.501 0.319 5.883 1.00 0.00 C ATOM 1150 CD GLU B 10 -6.527 1.125 5.047 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -6.207 0.688 3.922 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -6.083 2.193 5.518 1.00 0.00 O ATOM 0 H GLU B 10 -7.231 -3.459 6.823 1.00 0.00 H new ATOM 0 HA GLU B 10 -9.265 -1.507 6.318 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.592 -1.422 6.733 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -6.594 -1.397 4.981 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -8.514 0.484 5.515 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -7.473 0.677 6.912 1.00 0.00 H new ATOM 1159 N THR B 11 -8.733 -1.409 3.516 1.00 0.00 N ATOM 1160 CA THR B 11 -9.083 -1.610 2.113 1.00 0.00 C ATOM 1161 C THR B 11 -9.042 -0.294 1.343 1.00 0.00 C ATOM 1162 O THR B 11 -10.051 0.404 1.237 1.00 0.00 O ATOM 1163 CB THR B 11 -10.477 -2.236 1.991 1.00 0.00 C ATOM 1164 OG1 THR B 11 -10.963 -2.123 0.665 1.00 0.00 O ATOM 1165 CG2 THR B 11 -11.499 -1.602 2.910 1.00 0.00 C ATOM 0 H THR B 11 -8.400 -0.470 3.737 1.00 0.00 H new ATOM 0 HA THR B 11 -8.347 -2.288 1.682 1.00 0.00 H new ATOM 0 HB THR B 11 -10.352 -3.280 2.278 1.00 0.00 H new ATOM 0 HG1 THR B 11 -11.853 -2.529 0.607 1.00 0.00 H new ATOM 0 HG21 THR B 11 -12.464 -2.091 2.774 1.00 0.00 H new ATOM 0 HG22 THR B 11 -11.177 -1.716 3.945 1.00 0.00 H new ATOM 0 HG23 THR B 11 -11.593 -0.542 2.673 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.876 0.035 0.795 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.717 1.262 0.021 1.00 0.00 C ATOM 1175 C LEU B 12 -7.517 0.933 -1.454 1.00 0.00 C ATOM 1176 O LEU B 12 -7.012 -0.138 -1.792 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.539 2.094 0.559 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.165 1.804 -0.065 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.412 3.099 -0.328 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.351 0.892 0.838 1.00 0.00 C ATOM 0 H LEU B 12 -7.030 -0.529 0.872 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.625 1.857 0.122 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.768 3.149 0.409 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.468 1.933 1.635 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.322 1.297 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.442 2.872 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -4.987 3.721 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.267 3.633 0.611 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.381 0.698 0.380 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.206 1.373 1.805 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.882 -0.050 0.978 1.00 0.00 H new ATOM 1192 N MET B 13 -7.913 1.848 -2.331 1.00 0.00 N ATOM 1193 CA MET B 13 -7.765 1.622 -3.761 1.00 0.00 C ATOM 1194 C MET B 13 -7.160 2.835 -4.460 1.00 0.00 C ATOM 1195 O MET B 13 -7.855 3.805 -4.758 1.00 0.00 O ATOM 1196 CB MET B 13 -9.120 1.283 -4.385 1.00 0.00 C ATOM 1197 CG MET B 13 -9.046 0.981 -5.873 1.00 0.00 C ATOM 1198 SD MET B 13 -10.466 1.619 -6.784 1.00 0.00 S ATOM 1199 CE MET B 13 -9.648 2.577 -8.057 1.00 0.00 C ATOM 0 H MET B 13 -8.334 2.743 -2.080 1.00 0.00 H new ATOM 0 HA MET B 13 -7.084 0.782 -3.895 1.00 0.00 H new ATOM 0 HB2 MET B 13 -9.543 0.421 -3.868 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.803 2.117 -4.226 1.00 0.00 H new ATOM 0 HG2 MET B 13 -8.133 1.413 -6.282 1.00 0.00 H new ATOM 0 HG3 MET B 13 -8.981 -0.097 -6.018 1.00 0.00 H new ATOM 0 HE1 MET B 13 -10.295 2.647 -8.932 1.00 0.00 H new ATOM 0 HE2 MET B 13 -9.438 3.578 -7.680 1.00 0.00 H new ATOM 0 HE3 MET B 13 -8.713 2.090 -8.335 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.863 2.762 -4.735 1.00 0.00 N ATOM 1210 CA ILE B 14 -5.161 3.841 -5.416 1.00 0.00 C ATOM 1211 C ILE B 14 -4.745 3.399 -6.817 1.00 0.00 C ATOM 1212 O ILE B 14 -4.108 2.360 -6.988 1.00 0.00 O ATOM 1213 CB ILE B 14 -3.921 4.300 -4.617 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -3.216 5.467 -5.326 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.966 3.136 -4.385 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -2.375 5.058 -6.520 1.00 0.00 C ATOM 0 H ILE B 14 -5.275 1.964 -4.495 1.00 0.00 H new ATOM 0 HA ILE B 14 -5.845 4.686 -5.494 1.00 0.00 H new ATOM 0 HB ILE B 14 -4.255 4.656 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -3.968 6.184 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -2.578 5.981 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -2.100 3.483 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -3.476 2.353 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.638 2.738 -5.345 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.914 5.942 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.597 4.366 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -3.009 4.572 -7.262 1.00 0.00 H new ATOM 1228 N GLY B 15 -5.114 4.189 -7.818 1.00 0.00 N ATOM 1229 CA GLY B 15 -4.779 3.857 -9.192 1.00 0.00 C ATOM 1230 C GLY B 15 -6.004 3.847 -10.086 1.00 0.00 C ATOM 1231 O GLY B 15 -6.500 4.905 -10.477 1.00 0.00 O ATOM 0 H GLY B 15 -5.640 5.055 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -4.057 4.578 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.299 2.879 -9.223 1.00 0.00 H new ATOM 1235 N ASP B 16 -6.498 2.654 -10.409 1.00 0.00 N ATOM 1236 CA ASP B 16 -7.677 2.528 -11.260 1.00 0.00 C ATOM 1237 C ASP B 16 -8.273 1.117 -11.219 1.00 0.00 C ATOM 1238 O ASP B 16 -9.059 0.755 -12.094 1.00 0.00 O ATOM 1239 CB ASP B 16 -7.325 2.898 -12.702 1.00 0.00 C ATOM 1240 CG ASP B 16 -7.638 4.347 -13.020 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -8.833 4.711 -13.016 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -6.688 5.118 -13.273 1.00 0.00 O ATOM 0 H ASP B 16 -6.103 1.767 -10.097 1.00 0.00 H new ATOM 0 HA ASP B 16 -8.430 3.215 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -6.265 2.712 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -7.876 2.252 -13.385 1.00 0.00 H new ATOM 1247 N GLU B 17 -7.906 0.329 -10.202 1.00 0.00 N ATOM 1248 CA GLU B 17 -8.415 -1.041 -10.049 1.00 0.00 C ATOM 1249 C GLU B 17 -7.487 -1.870 -9.162 1.00 0.00 C ATOM 1250 O GLU B 17 -6.948 -2.889 -9.594 1.00 0.00 O ATOM 1251 CB GLU B 17 -8.565 -1.735 -11.410 1.00 0.00 C ATOM 1252 CG GLU B 17 -7.380 -1.522 -12.340 1.00 0.00 C ATOM 1253 CD GLU B 17 -7.802 -1.170 -13.753 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -8.161 -2.095 -14.513 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -7.773 0.029 -14.101 1.00 0.00 O ATOM 0 H GLU B 17 -7.256 0.617 -9.470 1.00 0.00 H new ATOM 0 HA GLU B 17 -9.396 -0.970 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -8.702 -2.804 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -9.468 -1.368 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -6.751 -0.725 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -6.773 -2.427 -12.361 1.00 0.00 H new ATOM 1262 N VAL B 18 -7.295 -1.426 -7.924 1.00 0.00 N ATOM 1263 CA VAL B 18 -6.427 -2.121 -6.995 1.00 0.00 C ATOM 1264 C VAL B 18 -7.186 -2.563 -5.738 1.00 0.00 C ATOM 1265 O VAL B 18 -8.408 -2.705 -5.759 1.00 0.00 O ATOM 1266 CB VAL B 18 -5.246 -1.217 -6.606 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -4.550 -0.679 -7.848 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -5.708 -0.080 -5.705 1.00 0.00 C ATOM 0 H VAL B 18 -7.732 -0.586 -7.545 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.053 -3.017 -7.491 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.527 -1.816 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.717 -0.042 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.176 -1.511 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -5.258 -0.099 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.855 0.546 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -6.452 0.520 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -6.149 -0.491 -4.797 1.00 0.00 H new ATOM 1278 N THR B 19 -6.449 -2.777 -4.645 1.00 0.00 N ATOM 1279 CA THR B 19 -7.029 -3.200 -3.370 1.00 0.00 C ATOM 1280 C THR B 19 -5.922 -3.651 -2.422 1.00 0.00 C ATOM 1281 O THR B 19 -5.353 -4.726 -2.592 1.00 0.00 O ATOM 1282 CB THR B 19 -8.036 -4.340 -3.572 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.807 -5.006 -4.801 1.00 0.00 O ATOM 1284 CG2 THR B 19 -9.477 -3.875 -3.561 1.00 0.00 C ATOM 0 H THR B 19 -5.436 -2.662 -4.620 1.00 0.00 H new ATOM 0 HA THR B 19 -7.557 -2.350 -2.937 1.00 0.00 H new ATOM 0 HB THR B 19 -7.881 -5.012 -2.728 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.298 -4.550 -5.516 1.00 0.00 H new ATOM 0 HG21 THR B 19 -10.136 -4.730 -3.709 1.00 0.00 H new ATOM 0 HG22 THR B 19 -9.701 -3.406 -2.603 1.00 0.00 H new ATOM 0 HG23 THR B 19 -9.633 -3.154 -4.363 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.608 -2.827 -1.429 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.555 -3.162 -0.477 1.00 0.00 C ATOM 1294 C VAL B 20 -5.072 -3.162 0.960 1.00 0.00 C ATOM 1295 O VAL B 20 -5.455 -2.119 1.492 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.375 -2.178 -0.583 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.220 -2.624 0.301 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -2.926 -2.039 -2.030 1.00 0.00 C ATOM 0 H VAL B 20 -6.063 -1.929 -1.262 1.00 0.00 H new ATOM 0 HA VAL B 20 -4.215 -4.166 -0.731 1.00 0.00 H new ATOM 0 HB VAL B 20 -3.710 -1.201 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.398 -1.914 0.210 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.551 -2.665 1.339 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.883 -3.612 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -2.092 -1.340 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.611 -3.012 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -3.753 -1.666 -2.633 1.00 0.00 H new ATOM 1308 N THR B 21 -5.075 -4.337 1.582 1.00 0.00 N ATOM 1309 CA THR B 21 -5.539 -4.473 2.959 1.00 0.00 C ATOM 1310 C THR B 21 -4.359 -4.634 3.915 1.00 0.00 C ATOM 1311 O THR B 21 -3.590 -5.591 3.813 1.00 0.00 O ATOM 1312 CB THR B 21 -6.481 -5.671 3.087 1.00 0.00 C ATOM 1313 OG1 THR B 21 -7.005 -5.758 4.400 1.00 0.00 O ATOM 1314 CG2 THR B 21 -5.815 -6.993 2.771 1.00 0.00 C ATOM 0 H THR B 21 -4.762 -5.209 1.155 1.00 0.00 H new ATOM 0 HA THR B 21 -6.080 -3.565 3.226 1.00 0.00 H new ATOM 0 HB THR B 21 -7.271 -5.497 2.356 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.745 -5.124 4.499 1.00 0.00 H new ATOM 0 HG21 THR B 21 -6.539 -7.801 2.881 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.442 -6.977 1.747 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.984 -7.155 3.457 1.00 0.00 H new ATOM 1322 N VAL B 22 -4.219 -3.688 4.839 1.00 0.00 N ATOM 1323 CA VAL B 22 -3.129 -3.721 5.809 1.00 0.00 C ATOM 1324 C VAL B 22 -3.543 -4.443 7.090 1.00 0.00 C ATOM 1325 O VAL B 22 -3.597 -3.839 8.161 1.00 0.00 O ATOM 1326 CB VAL B 22 -2.652 -2.300 6.164 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -1.956 -1.657 4.974 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -3.821 -1.446 6.633 1.00 0.00 C ATOM 0 H VAL B 22 -4.846 -2.890 4.937 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.310 -4.267 5.341 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.933 -2.371 6.980 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -1.626 -0.654 5.244 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.093 -2.258 4.689 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -2.650 -1.597 4.135 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.465 -0.446 6.879 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -4.566 -1.381 5.840 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.271 -1.899 7.517 1.00 0.00 H new ATOM 1338 N LEU B 23 -3.838 -5.740 6.957 1.00 0.00 N ATOM 1339 CA LEU B 23 -4.258 -6.590 8.082 1.00 0.00 C ATOM 1340 C LEU B 23 -4.011 -5.928 9.442 1.00 0.00 C ATOM 1341 O LEU B 23 -4.953 -5.523 10.122 1.00 0.00 O ATOM 1342 CB LEU B 23 -3.532 -7.935 8.016 1.00 0.00 C ATOM 1343 CG LEU B 23 -4.310 -9.120 8.586 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -4.456 -8.979 10.094 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -5.676 -9.229 7.924 1.00 0.00 C ATOM 0 H LEU B 23 -3.793 -6.234 6.065 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.333 -6.742 7.989 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -3.287 -8.148 6.975 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.588 -7.848 8.554 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.754 -10.034 8.376 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -5.012 -9.830 10.487 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -3.468 -8.948 10.554 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.992 -8.058 10.323 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -6.216 -10.078 8.342 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -6.242 -8.315 8.104 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -5.550 -9.372 6.851 1.00 0.00 H new ATOM 1357 N GLY B 24 -2.742 -5.810 9.826 1.00 0.00 N ATOM 1358 CA GLY B 24 -2.406 -5.184 11.094 1.00 0.00 C ATOM 1359 C GLY B 24 -2.326 -6.171 12.247 1.00 0.00 C ATOM 1360 O GLY B 24 -1.391 -6.122 13.046 1.00 0.00 O ATOM 0 H GLY B 24 -1.942 -6.136 9.283 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -1.449 -4.671 10.996 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -3.153 -4.424 11.326 1.00 0.00 H new ATOM 1364 N VAL B 25 -3.308 -7.062 12.339 1.00 0.00 N ATOM 1365 CA VAL B 25 -3.342 -8.053 13.408 1.00 0.00 C ATOM 1366 C VAL B 25 -2.514 -9.278 13.038 1.00 0.00 C ATOM 1367 O VAL B 25 -2.570 -9.754 11.905 1.00 0.00 O ATOM 1368 CB VAL B 25 -4.783 -8.507 13.727 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -4.898 -8.928 15.183 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -5.788 -7.409 13.402 1.00 0.00 C ATOM 0 H VAL B 25 -4.090 -7.118 11.687 1.00 0.00 H new ATOM 0 HA VAL B 25 -2.921 -7.573 14.291 1.00 0.00 H new ATOM 0 HB VAL B 25 -5.014 -9.368 13.099 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -5.920 -9.245 15.390 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -4.215 -9.755 15.378 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -4.641 -8.086 15.826 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -6.794 -7.756 13.636 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -5.563 -6.522 13.995 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -5.727 -7.162 12.342 1.00 0.00 H new ATOM 1380 N LYS B 26 -1.742 -9.788 13.995 1.00 0.00 N ATOM 1381 CA LYS B 26 -0.899 -10.958 13.762 1.00 0.00 C ATOM 1382 C LYS B 26 -0.030 -11.241 14.984 1.00 0.00 C ATOM 1383 O LYS B 26 0.104 -10.395 15.868 1.00 0.00 O ATOM 1384 CB LYS B 26 -0.010 -10.747 12.533 1.00 0.00 C ATOM 1385 CG LYS B 26 0.077 -11.966 11.629 1.00 0.00 C ATOM 1386 CD LYS B 26 -1.110 -12.043 10.682 1.00 0.00 C ATOM 1387 CE LYS B 26 -1.187 -13.397 9.995 1.00 0.00 C ATOM 1388 NZ LYS B 26 -2.594 -13.800 9.717 1.00 0.00 N ATOM 0 H LYS B 26 -1.683 -9.409 14.940 1.00 0.00 H new ATOM 0 HA LYS B 26 -1.550 -11.814 13.583 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -0.394 -9.905 11.957 1.00 0.00 H new ATOM 0 HB3 LYS B 26 0.993 -10.477 12.863 1.00 0.00 H new ATOM 0 HG2 LYS B 26 1.002 -11.928 11.053 1.00 0.00 H new ATOM 0 HG3 LYS B 26 0.118 -12.869 12.237 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -2.031 -11.862 11.236 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -1.030 -11.257 9.931 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -0.628 -13.362 9.060 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -0.711 -14.150 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -2.603 -14.728 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -3.122 -13.859 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -3.041 -13.095 9.097 1.00 0.00 H new ATOM 1402 N GLY B 27 0.559 -12.434 15.027 1.00 0.00 N ATOM 1403 CA GLY B 27 1.412 -12.804 16.146 1.00 0.00 C ATOM 1404 C GLY B 27 2.522 -11.796 16.387 1.00 0.00 C ATOM 1405 O GLY B 27 2.276 -10.701 16.892 1.00 0.00 O ATOM 0 H GLY B 27 0.461 -13.151 14.308 1.00 0.00 H new ATOM 0 HA2 GLY B 27 0.805 -12.895 17.047 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.850 -13.784 15.957 1.00 0.00 H new ATOM 1409 N ASN B 28 3.747 -12.161 16.020 1.00 0.00 N ATOM 1410 CA ASN B 28 4.892 -11.272 16.194 1.00 0.00 C ATOM 1411 C ASN B 28 5.084 -10.409 14.952 1.00 0.00 C ATOM 1412 O ASN B 28 5.356 -9.212 15.046 1.00 0.00 O ATOM 1413 CB ASN B 28 6.159 -12.082 16.471 1.00 0.00 C ATOM 1414 CG ASN B 28 6.418 -12.261 17.954 1.00 0.00 C ATOM 1415 OD1 ASN B 28 7.054 -11.421 18.591 1.00 0.00 O ATOM 1416 ND2 ASN B 28 5.926 -13.361 18.512 1.00 0.00 N ATOM 0 H ASN B 28 3.972 -13.063 15.601 1.00 0.00 H new ATOM 0 HA ASN B 28 4.699 -10.623 17.048 1.00 0.00 H new ATOM 0 HB2 ASN B 28 6.071 -13.061 16.000 1.00 0.00 H new ATOM 0 HB3 ASN B 28 7.013 -11.583 16.013 1.00 0.00 H new ATOM 0 HD21 ASN B 28 6.069 -13.536 19.507 1.00 0.00 H new ATOM 0 HD22 ASN B 28 5.405 -14.031 17.946 1.00 0.00 H new ATOM 1423 N GLN B 29 4.926 -11.031 13.790 1.00 0.00 N ATOM 1424 CA GLN B 29 5.063 -10.338 12.515 1.00 0.00 C ATOM 1425 C GLN B 29 3.688 -10.112 11.895 1.00 0.00 C ATOM 1426 O GLN B 29 2.843 -11.006 11.913 1.00 0.00 O ATOM 1427 CB GLN B 29 5.948 -11.146 11.565 1.00 0.00 C ATOM 1428 CG GLN B 29 6.973 -10.304 10.823 1.00 0.00 C ATOM 1429 CD GLN B 29 8.165 -9.940 11.687 1.00 0.00 C ATOM 1430 OE1 GLN B 29 8.308 -8.796 12.118 1.00 0.00 O ATOM 1431 NE2 GLN B 29 9.029 -10.915 11.943 1.00 0.00 N ATOM 0 H GLN B 29 4.701 -12.022 13.705 1.00 0.00 H new ATOM 0 HA GLN B 29 5.534 -9.371 12.688 1.00 0.00 H new ATOM 0 HB2 GLN B 29 6.467 -11.917 12.134 1.00 0.00 H new ATOM 0 HB3 GLN B 29 5.316 -11.657 10.839 1.00 0.00 H new ATOM 0 HG2 GLN B 29 7.319 -10.850 9.945 1.00 0.00 H new ATOM 0 HG3 GLN B 29 6.497 -9.391 10.464 1.00 0.00 H new ATOM 0 HE21 GLN B 29 8.871 -11.849 11.565 1.00 0.00 H new ATOM 0 HE22 GLN B 29 9.851 -10.730 12.518 1.00 0.00 H new ATOM 1440 N VAL B 30 3.457 -8.916 11.361 1.00 0.00 N ATOM 1441 CA VAL B 30 2.167 -8.598 10.761 1.00 0.00 C ATOM 1442 C VAL B 30 2.168 -8.873 9.263 1.00 0.00 C ATOM 1443 O VAL B 30 2.873 -8.216 8.502 1.00 0.00 O ATOM 1444 CB VAL B 30 1.787 -7.124 10.998 1.00 0.00 C ATOM 1445 CG1 VAL B 30 0.358 -6.863 10.548 1.00 0.00 C ATOM 1446 CG2 VAL B 30 1.969 -6.751 12.463 1.00 0.00 C ATOM 0 H VAL B 30 4.139 -8.158 11.332 1.00 0.00 H new ATOM 0 HA VAL B 30 1.431 -9.241 11.243 1.00 0.00 H new ATOM 0 HB VAL B 30 2.452 -6.497 10.404 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.107 -5.817 10.723 1.00 0.00 H new ATOM 0 HG12 VAL B 30 0.265 -7.086 9.485 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.323 -7.499 11.113 1.00 0.00 H new ATOM 0 HG21 VAL B 30 1.695 -5.706 12.609 1.00 0.00 H new ATOM 0 HG22 VAL B 30 1.331 -7.383 13.081 1.00 0.00 H new ATOM 0 HG23 VAL B 30 3.011 -6.897 12.749 1.00 0.00 H new ATOM 1456 N ARG B 31 1.365 -9.847 8.848 1.00 0.00 N ATOM 1457 CA ARG B 31 1.266 -10.208 7.448 1.00 0.00 C ATOM 1458 C ARG B 31 0.438 -9.181 6.686 1.00 0.00 C ATOM 1459 O ARG B 31 -0.791 -9.189 6.750 1.00 0.00 O ATOM 1460 CB ARG B 31 0.646 -11.599 7.299 1.00 0.00 C ATOM 1461 CG ARG B 31 1.339 -12.464 6.259 1.00 0.00 C ATOM 1462 CD ARG B 31 2.529 -13.202 6.851 1.00 0.00 C ATOM 1463 NE ARG B 31 2.993 -14.281 5.982 1.00 0.00 N ATOM 1464 CZ ARG B 31 2.410 -15.475 5.907 1.00 0.00 C ATOM 1465 NH1 ARG B 31 1.341 -15.748 6.645 1.00 0.00 N ATOM 1466 NH2 ARG B 31 2.896 -16.400 5.091 1.00 0.00 N ATOM 0 H ARG B 31 0.773 -10.400 9.468 1.00 0.00 H new ATOM 0 HA ARG B 31 2.271 -10.224 7.027 1.00 0.00 H new ATOM 0 HB2 ARG B 31 0.678 -12.107 8.263 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -0.405 -11.493 7.030 1.00 0.00 H new ATOM 0 HG2 ARG B 31 0.629 -13.184 5.852 1.00 0.00 H new ATOM 0 HG3 ARG B 31 1.672 -11.841 5.429 1.00 0.00 H new ATOM 0 HD2 ARG B 31 3.344 -12.498 7.021 1.00 0.00 H new ATOM 0 HD3 ARG B 31 2.254 -13.612 7.823 1.00 0.00 H new ATOM 0 HE ARG B 31 3.812 -14.109 5.399 1.00 0.00 H new ATOM 0 HH11 ARG B 31 0.962 -15.041 7.274 1.00 0.00 H new ATOM 0 HH12 ARG B 31 0.899 -16.665 6.583 1.00 0.00 H new ATOM 0 HH21 ARG B 31 3.717 -16.197 4.521 1.00 0.00 H new ATOM 0 HH22 ARG B 31 2.449 -17.315 5.034 1.00 0.00 H new ATOM 1480 N ILE B 32 1.118 -8.285 5.981 1.00 0.00 N ATOM 1481 CA ILE B 32 0.441 -7.240 5.226 1.00 0.00 C ATOM 1482 C ILE B 32 0.073 -7.730 3.830 1.00 0.00 C ATOM 1483 O ILE B 32 0.897 -8.320 3.132 1.00 0.00 O ATOM 1484 CB ILE B 32 1.326 -5.981 5.119 1.00 0.00 C ATOM 1485 CG1 ILE B 32 1.960 -5.668 6.482 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.511 -4.798 4.615 1.00 0.00 C ATOM 1487 CD1 ILE B 32 0.964 -5.189 7.517 1.00 0.00 C ATOM 0 H ILE B 32 2.136 -8.262 5.917 1.00 0.00 H new ATOM 0 HA ILE B 32 -0.474 -6.984 5.761 1.00 0.00 H new ATOM 0 HB ILE B 32 2.124 -6.170 4.401 1.00 0.00 H new ATOM 0 HG12 ILE B 32 2.458 -6.563 6.856 1.00 0.00 H new ATOM 0 HG13 ILE B 32 2.729 -4.907 6.350 1.00 0.00 H new ATOM 0 HG21 ILE B 32 1.151 -3.918 4.546 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.104 -5.029 3.631 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.307 -4.598 5.308 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.482 -4.987 8.454 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.483 -4.277 7.164 1.00 0.00 H new ATOM 0 HD13 ILE B 32 0.209 -5.958 7.678 1.00 0.00 H new ATOM 1499 N GLY B 33 -1.178 -7.497 3.435 1.00 0.00 N ATOM 1500 CA GLY B 33 -1.638 -7.938 2.131 1.00 0.00 C ATOM 1501 C GLY B 33 -1.821 -6.800 1.150 1.00 0.00 C ATOM 1502 O GLY B 33 -2.604 -5.881 1.392 1.00 0.00 O ATOM 0 H GLY B 33 -1.879 -7.011 3.995 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.922 -8.651 1.722 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.584 -8.467 2.246 1.00 0.00 H new ATOM 1506 N VAL B 34 -1.098 -6.864 0.037 1.00 0.00 N ATOM 1507 CA VAL B 34 -1.185 -5.835 -0.989 1.00 0.00 C ATOM 1508 C VAL B 34 -1.686 -6.413 -2.309 1.00 0.00 C ATOM 1509 O VAL B 34 -0.941 -7.075 -3.033 1.00 0.00 O ATOM 1510 CB VAL B 34 0.181 -5.162 -1.225 1.00 0.00 C ATOM 1511 CG1 VAL B 34 0.027 -3.934 -2.109 1.00 0.00 C ATOM 1512 CG2 VAL B 34 0.833 -4.797 0.100 1.00 0.00 C ATOM 0 H VAL B 34 -0.445 -7.618 -0.176 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.894 -5.090 -0.629 1.00 0.00 H new ATOM 0 HB VAL B 34 0.830 -5.871 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.002 -3.473 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.392 -4.229 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.640 -3.219 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL B 34 1.797 -4.323 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.189 -4.107 0.645 1.00 0.00 H new ATOM 0 HG23 VAL B 34 0.982 -5.699 0.693 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.953 -6.154 -2.616 1.00 0.00 N ATOM 1523 CA ASN B 35 -3.548 -6.644 -3.854 1.00 0.00 C ATOM 1524 C ASN B 35 -3.568 -5.540 -4.907 1.00 0.00 C ATOM 1525 O ASN B 35 -4.342 -4.589 -4.814 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.966 -7.164 -3.605 1.00 0.00 C ATOM 1527 CG ASN B 35 -5.240 -8.466 -4.332 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -4.422 -8.933 -5.124 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -6.398 -9.060 -4.065 1.00 0.00 N ATOM 0 H ASN B 35 -3.585 -5.610 -2.028 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.939 -7.469 -4.223 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -5.114 -7.310 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.687 -6.413 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -6.638 -9.939 -4.524 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -7.047 -8.637 -3.401 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.703 -5.675 -5.903 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.612 -4.688 -6.972 1.00 0.00 C ATOM 1538 C ALA B 36 -2.344 -5.345 -8.324 1.00 0.00 C ATOM 1539 O ALA B 36 -1.619 -6.335 -8.411 1.00 0.00 O ATOM 1540 CB ALA B 36 -1.525 -3.672 -6.656 1.00 0.00 C ATOM 0 H ALA B 36 -2.055 -6.457 -5.994 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.573 -4.178 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.466 -2.940 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.762 -3.165 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.567 -4.183 -6.559 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.929 -4.792 -9.403 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.751 -5.317 -10.757 1.00 0.00 C ATOM 1548 C PRO B 37 -1.433 -4.870 -11.378 1.00 0.00 C ATOM 1549 O PRO B 37 -0.867 -3.849 -10.986 1.00 0.00 O ATOM 1550 CB PRO B 37 -3.929 -4.710 -11.513 1.00 0.00 C ATOM 1551 CG PRO B 37 -4.162 -3.401 -10.840 1.00 0.00 C ATOM 1552 CD PRO B 37 -3.807 -3.604 -9.388 1.00 0.00 C ATOM 0 HA PRO B 37 -2.721 -6.406 -10.780 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.698 -4.578 -12.570 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.810 -5.349 -11.456 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.546 -2.619 -11.285 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.201 -3.088 -10.947 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.296 -2.734 -8.976 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.695 -3.771 -8.778 1.00 0.00 H new ATOM 1560 N LYS B 38 -0.948 -5.636 -12.348 1.00 0.00 N ATOM 1561 CA LYS B 38 0.305 -5.312 -13.020 1.00 0.00 C ATOM 1562 C LYS B 38 0.057 -4.490 -14.283 1.00 0.00 C ATOM 1563 O LYS B 38 0.771 -4.633 -15.275 1.00 0.00 O ATOM 1564 CB LYS B 38 1.062 -6.594 -13.374 1.00 0.00 C ATOM 1565 CG LYS B 38 1.272 -7.523 -12.189 1.00 0.00 C ATOM 1566 CD LYS B 38 1.136 -8.981 -12.594 1.00 0.00 C ATOM 1567 CE LYS B 38 1.165 -9.900 -11.384 1.00 0.00 C ATOM 1568 NZ LYS B 38 2.453 -9.803 -10.642 1.00 0.00 N ATOM 0 H LYS B 38 -1.402 -6.484 -12.686 1.00 0.00 H new ATOM 0 HA LYS B 38 0.908 -4.715 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS B 38 0.514 -7.127 -14.151 1.00 0.00 H new ATOM 0 HB3 LYS B 38 2.032 -6.329 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS B 38 2.261 -7.353 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS B 38 0.545 -7.291 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS B 38 0.202 -9.123 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS B 38 1.945 -9.248 -13.274 1.00 0.00 H new ATOM 0 HE2 LYS B 38 0.342 -9.647 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS B 38 1.009 -10.929 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 2.473 -10.517 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 3.244 -9.970 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 2.543 -8.854 -10.225 1.00 0.00 H new ATOM 1582 N GLU B 39 -0.957 -3.629 -14.241 1.00 0.00 N ATOM 1583 CA GLU B 39 -1.292 -2.788 -15.384 1.00 0.00 C ATOM 1584 C GLU B 39 -0.747 -1.375 -15.198 1.00 0.00 C ATOM 1585 O GLU B 39 -0.180 -0.792 -16.123 1.00 0.00 O ATOM 1586 CB GLU B 39 -2.808 -2.740 -15.581 1.00 0.00 C ATOM 1587 CG GLU B 39 -3.227 -2.486 -17.020 1.00 0.00 C ATOM 1588 CD GLU B 39 -4.426 -3.317 -17.433 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -4.312 -4.561 -17.439 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -5.479 -2.724 -17.749 1.00 0.00 O ATOM 0 H GLU B 39 -1.559 -3.496 -13.429 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.831 -3.222 -16.271 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.239 -3.684 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.224 -1.957 -14.947 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.462 -1.429 -17.145 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.390 -2.707 -17.683 1.00 0.00 H new ATOM 1597 N VAL B 40 -0.918 -0.831 -13.997 1.00 0.00 N ATOM 1598 CA VAL B 40 -0.437 0.511 -13.692 1.00 0.00 C ATOM 1599 C VAL B 40 0.996 0.468 -13.173 1.00 0.00 C ATOM 1600 O VAL B 40 1.457 -0.563 -12.685 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.335 1.212 -12.652 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -0.918 2.664 -12.478 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -2.798 1.116 -13.059 1.00 0.00 C ATOM 0 H VAL B 40 -1.386 -1.299 -13.220 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.469 1.081 -14.621 1.00 0.00 H new ATOM 0 HB VAL B 40 -1.213 0.706 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -1.563 3.142 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL B 40 0.117 2.707 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -1.008 3.185 -13.431 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.417 1.616 -12.314 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -2.938 1.595 -14.028 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -3.089 0.068 -13.128 1.00 0.00 H new ATOM 1613 N SER B 41 1.699 1.591 -13.283 1.00 0.00 N ATOM 1614 CA SER B 41 3.082 1.671 -12.825 1.00 0.00 C ATOM 1615 C SER B 41 3.177 1.364 -11.335 1.00 0.00 C ATOM 1616 O SER B 41 2.947 2.236 -10.497 1.00 0.00 O ATOM 1617 CB SER B 41 3.657 3.059 -13.111 1.00 0.00 C ATOM 1618 OG SER B 41 5.052 2.994 -13.349 1.00 0.00 O ATOM 0 H SER B 41 1.335 2.456 -13.684 1.00 0.00 H new ATOM 0 HA SER B 41 3.664 0.927 -13.369 1.00 0.00 H new ATOM 0 HB2 SER B 41 3.157 3.492 -13.977 1.00 0.00 H new ATOM 0 HB3 SER B 41 3.459 3.719 -12.266 1.00 0.00 H new ATOM 0 HG SER B 41 5.395 3.894 -13.531 1.00 0.00 H new ATOM 1624 N VAL B 42 3.522 0.122 -11.010 1.00 0.00 N ATOM 1625 CA VAL B 42 3.651 -0.296 -9.621 1.00 0.00 C ATOM 1626 C VAL B 42 5.051 -0.842 -9.336 1.00 0.00 C ATOM 1627 O VAL B 42 5.484 -1.812 -9.957 1.00 0.00 O ATOM 1628 CB VAL B 42 2.606 -1.371 -9.260 1.00 0.00 C ATOM 1629 CG1 VAL B 42 2.803 -2.619 -10.107 1.00 0.00 C ATOM 1630 CG2 VAL B 42 2.673 -1.707 -7.777 1.00 0.00 C ATOM 0 H VAL B 42 3.717 -0.612 -11.691 1.00 0.00 H new ATOM 0 HA VAL B 42 3.479 0.588 -9.006 1.00 0.00 H new ATOM 0 HB VAL B 42 1.615 -0.970 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL B 42 2.055 -3.364 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL B 42 2.696 -2.364 -11.161 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.800 -3.024 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL B 42 1.928 -2.467 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL B 42 3.666 -2.085 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL B 42 2.473 -0.810 -7.191 1.00 0.00 H new ATOM 1640 N HIS B 43 5.751 -0.220 -8.391 1.00 0.00 N ATOM 1641 CA HIS B 43 7.094 -0.652 -8.024 1.00 0.00 C ATOM 1642 C HIS B 43 7.143 -1.027 -6.547 1.00 0.00 C ATOM 1643 O HIS B 43 6.595 -0.319 -5.702 1.00 0.00 O ATOM 1644 CB HIS B 43 8.109 0.455 -8.318 1.00 0.00 C ATOM 1645 CG HIS B 43 9.408 -0.054 -8.863 1.00 0.00 C ATOM 1646 ND1 HIS B 43 10.302 0.743 -9.545 1.00 0.00 N ATOM 1647 CD2 HIS B 43 9.963 -1.289 -8.824 1.00 0.00 C ATOM 1648 CE1 HIS B 43 11.350 0.023 -9.903 1.00 0.00 C ATOM 1649 NE2 HIS B 43 11.170 -1.213 -9.477 1.00 0.00 N ATOM 0 H HIS B 43 5.409 0.585 -7.866 1.00 0.00 H new ATOM 0 HA HIS B 43 7.350 -1.529 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.674 1.155 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.302 1.012 -7.401 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.537 -2.169 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.208 0.384 -10.451 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.821 -1.987 -9.611 1.00 0.00 H new ATOM 1657 N ARG B 44 7.799 -2.141 -6.238 1.00 0.00 N ATOM 1658 CA ARG B 44 7.912 -2.602 -4.859 1.00 0.00 C ATOM 1659 C ARG B 44 9.251 -3.299 -4.636 1.00 0.00 C ATOM 1660 O ARG B 44 10.088 -3.354 -5.536 1.00 0.00 O ATOM 1661 CB ARG B 44 6.766 -3.560 -4.525 1.00 0.00 C ATOM 1662 CG ARG B 44 5.464 -2.856 -4.177 1.00 0.00 C ATOM 1663 CD ARG B 44 4.283 -3.470 -4.913 1.00 0.00 C ATOM 1664 NE ARG B 44 3.677 -4.564 -4.158 1.00 0.00 N ATOM 1665 CZ ARG B 44 2.513 -5.127 -4.474 1.00 0.00 C ATOM 1666 NH1 ARG B 44 1.826 -4.703 -5.527 1.00 0.00 N ATOM 1667 NH2 ARG B 44 2.033 -6.118 -3.734 1.00 0.00 N ATOM 0 H ARG B 44 8.260 -2.740 -6.923 1.00 0.00 H new ATOM 0 HA ARG B 44 7.854 -1.735 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG B 44 6.596 -4.220 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG B 44 7.063 -4.190 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.294 -2.914 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG B 44 5.542 -1.799 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.534 -2.701 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.613 -3.839 -5.884 1.00 0.00 H new ATOM 0 HE ARG B 44 4.175 -4.917 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG B 44 2.189 -3.941 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG B 44 0.935 -5.139 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.556 -6.448 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG B 44 1.141 -6.549 -3.976 1.00 0.00 H new ATOM 1681 N GLU B 45 9.446 -3.834 -3.435 1.00 0.00 N ATOM 1682 CA GLU B 45 10.684 -4.531 -3.105 1.00 0.00 C ATOM 1683 C GLU B 45 10.911 -5.704 -4.053 1.00 0.00 C ATOM 1684 O GLU B 45 9.997 -6.483 -4.324 1.00 0.00 O ATOM 1685 CB GLU B 45 10.648 -5.026 -1.658 1.00 0.00 C ATOM 1686 CG GLU B 45 11.975 -4.875 -0.930 1.00 0.00 C ATOM 1687 CD GLU B 45 11.811 -4.332 0.476 1.00 0.00 C ATOM 1688 OE1 GLU B 45 11.433 -5.113 1.374 1.00 0.00 O ATOM 1689 OE2 GLU B 45 12.060 -3.125 0.679 1.00 0.00 O ATOM 0 H GLU B 45 8.765 -3.799 -2.676 1.00 0.00 H new ATOM 0 HA GLU B 45 11.510 -3.829 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.880 -4.477 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.356 -6.076 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU B 45 12.473 -5.844 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU B 45 12.624 -4.209 -1.499 1.00 0.00 H new ATOM 1696 N GLU B 46 12.134 -5.821 -4.561 1.00 0.00 N ATOM 1697 CA GLU B 46 12.481 -6.895 -5.485 1.00 0.00 C ATOM 1698 C GLU B 46 12.087 -8.258 -4.922 1.00 0.00 C ATOM 1699 O GLU B 46 11.289 -8.978 -5.520 1.00 0.00 O ATOM 1700 CB GLU B 46 13.981 -6.869 -5.788 1.00 0.00 C ATOM 1701 CG GLU B 46 14.327 -6.155 -7.084 1.00 0.00 C ATOM 1702 CD GLU B 46 15.597 -6.685 -7.721 1.00 0.00 C ATOM 1703 OE1 GLU B 46 16.535 -7.035 -6.973 1.00 0.00 O ATOM 1704 OE2 GLU B 46 15.654 -6.751 -8.967 1.00 0.00 O ATOM 0 H GLU B 46 12.902 -5.184 -4.348 1.00 0.00 H new ATOM 0 HA GLU B 46 11.925 -6.735 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU B 46 14.501 -6.381 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.351 -7.893 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.500 -6.263 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU B 46 14.441 -5.089 -6.888 1.00 0.00 H new ATOM 1711 N ILE B 47 12.655 -8.607 -3.771 1.00 0.00 N ATOM 1712 CA ILE B 47 12.367 -9.885 -3.129 1.00 0.00 C ATOM 1713 C ILE B 47 10.867 -10.074 -2.906 1.00 0.00 C ATOM 1714 O ILE B 47 10.326 -11.157 -3.136 1.00 0.00 O ATOM 1715 CB ILE B 47 13.101 -10.011 -1.778 1.00 0.00 C ATOM 1716 CG1 ILE B 47 12.904 -11.411 -1.190 1.00 0.00 C ATOM 1717 CG2 ILE B 47 12.617 -8.947 -0.804 1.00 0.00 C ATOM 1718 CD1 ILE B 47 14.045 -12.358 -1.490 1.00 0.00 C ATOM 0 H ILE B 47 13.318 -8.021 -3.264 1.00 0.00 H new ATOM 0 HA ILE B 47 12.725 -10.663 -3.804 1.00 0.00 H new ATOM 0 HB ILE B 47 14.166 -9.857 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE B 47 12.785 -11.329 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.979 -11.834 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE B 47 13.147 -9.053 0.143 1.00 0.00 H new ATOM 0 HG22 ILE B 47 12.811 -7.958 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE B 47 11.547 -9.067 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.838 -13.330 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE B 47 14.151 -12.470 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE B 47 14.969 -11.957 -1.074 1.00 0.00 H new ATOM 1730 N TYR B 48 10.202 -9.013 -2.455 1.00 0.00 N ATOM 1731 CA TYR B 48 8.765 -9.058 -2.194 1.00 0.00 C ATOM 1732 C TYR B 48 8.008 -9.714 -3.346 1.00 0.00 C ATOM 1733 O TYR B 48 7.456 -10.805 -3.198 1.00 0.00 O ATOM 1734 CB TYR B 48 8.225 -7.645 -1.958 1.00 0.00 C ATOM 1735 CG TYR B 48 8.241 -7.222 -0.505 1.00 0.00 C ATOM 1736 CD1 TYR B 48 9.321 -7.522 0.315 1.00 0.00 C ATOM 1737 CD2 TYR B 48 7.174 -6.523 0.045 1.00 0.00 C ATOM 1738 CE1 TYR B 48 9.338 -7.136 1.642 1.00 0.00 C ATOM 1739 CE2 TYR B 48 7.183 -6.134 1.371 1.00 0.00 C ATOM 1740 CZ TYR B 48 8.267 -6.443 2.165 1.00 0.00 C ATOM 1741 OH TYR B 48 8.280 -6.057 3.486 1.00 0.00 O ATOM 0 H TYR B 48 10.636 -8.110 -2.262 1.00 0.00 H new ATOM 0 HA TYR B 48 8.610 -9.660 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR B 48 8.816 -6.938 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR B 48 7.203 -7.589 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR B 48 10.161 -8.066 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR B 48 6.323 -6.279 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR B 48 10.186 -7.376 2.266 1.00 0.00 H new ATOM 0 HE2 TYR B 48 6.345 -5.591 1.783 1.00 0.00 H new ATOM 0 HH TYR B 48 7.813 -6.727 4.027 1.00 0.00 H new ATOM 1751 N GLN B 49 7.981 -9.042 -4.492 1.00 0.00 N ATOM 1752 CA GLN B 49 7.284 -9.561 -5.664 1.00 0.00 C ATOM 1753 C GLN B 49 8.011 -10.766 -6.260 1.00 0.00 C ATOM 1754 O GLN B 49 7.416 -11.560 -6.986 1.00 0.00 O ATOM 1755 CB GLN B 49 7.144 -8.465 -6.723 1.00 0.00 C ATOM 1756 CG GLN B 49 8.438 -7.715 -6.998 1.00 0.00 C ATOM 1757 CD GLN B 49 8.523 -7.204 -8.423 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.947 -6.169 -8.759 1.00 0.00 O ATOM 1759 NE2 GLN B 49 9.245 -7.930 -9.269 1.00 0.00 N ATOM 0 H GLN B 49 8.433 -8.139 -4.635 1.00 0.00 H new ATOM 0 HA GLN B 49 6.294 -9.886 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.789 -8.912 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.384 -7.754 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN B 49 8.520 -6.875 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN B 49 9.284 -8.373 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.705 -8.781 -8.946 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.339 -7.636 -10.241 1.00 0.00 H new ATOM 1768 N ARG B 50 9.300 -10.896 -5.955 1.00 0.00 N ATOM 1769 CA ARG B 50 10.097 -12.004 -6.470 1.00 0.00 C ATOM 1770 C ARG B 50 9.619 -13.341 -5.908 1.00 0.00 C ATOM 1771 O ARG B 50 9.860 -14.393 -6.500 1.00 0.00 O ATOM 1772 CB ARG B 50 11.576 -11.798 -6.133 1.00 0.00 C ATOM 1773 CG ARG B 50 12.390 -11.226 -7.282 1.00 0.00 C ATOM 1774 CD ARG B 50 13.721 -10.670 -6.801 1.00 0.00 C ATOM 1775 NE ARG B 50 14.466 -11.643 -6.001 1.00 0.00 N ATOM 1776 CZ ARG B 50 15.528 -12.319 -6.440 1.00 0.00 C ATOM 1777 NH1 ARG B 50 15.980 -12.143 -7.677 1.00 0.00 N ATOM 1778 NH2 ARG B 50 16.141 -13.177 -5.637 1.00 0.00 N ATOM 0 H ARG B 50 9.813 -10.249 -5.356 1.00 0.00 H new ATOM 0 HA ARG B 50 9.974 -12.025 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG B 50 11.655 -11.130 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG B 50 12.008 -12.753 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG B 50 12.567 -12.003 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.822 -10.437 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG B 50 14.321 -10.372 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG B 50 13.546 -9.772 -6.208 1.00 0.00 H new ATOM 0 HE ARG B 50 14.152 -11.815 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG B 50 15.514 -11.485 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.793 -12.666 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG B 50 15.800 -13.319 -4.686 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.954 -13.696 -5.970 1.00 0.00 H new ATOM 1792 N ILE B 51 8.949 -13.299 -4.761 1.00 0.00 N ATOM 1793 CA ILE B 51 8.452 -14.515 -4.127 1.00 0.00 C ATOM 1794 C ILE B 51 6.929 -14.606 -4.192 1.00 0.00 C ATOM 1795 O ILE B 51 6.362 -15.692 -4.077 1.00 0.00 O ATOM 1796 CB ILE B 51 8.898 -14.605 -2.654 1.00 0.00 C ATOM 1797 CG1 ILE B 51 8.359 -13.415 -1.857 1.00 0.00 C ATOM 1798 CG2 ILE B 51 10.415 -14.666 -2.564 1.00 0.00 C ATOM 1799 CD1 ILE B 51 8.309 -13.663 -0.364 1.00 0.00 C ATOM 0 H ILE B 51 8.738 -12.440 -4.253 1.00 0.00 H new ATOM 0 HA ILE B 51 8.880 -15.349 -4.684 1.00 0.00 H new ATOM 0 HB ILE B 51 8.489 -15.519 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE B 51 8.984 -12.544 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE B 51 7.357 -13.174 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE B 51 10.715 -14.729 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.776 -15.544 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE B 51 10.842 -13.768 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE B 51 7.917 -12.779 0.139 1.00 0.00 H new ATOM 0 HD12 ILE B 51 7.661 -14.515 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE B 51 9.313 -13.874 0.004 1.00 0.00 H new ATOM 1811 N GLN B 52 6.269 -13.465 -4.368 1.00 0.00 N ATOM 1812 CA GLN B 52 4.812 -13.434 -4.437 1.00 0.00 C ATOM 1813 C GLN B 52 4.325 -13.182 -5.863 1.00 0.00 C ATOM 1814 O GLN B 52 3.576 -13.983 -6.423 1.00 0.00 O ATOM 1815 CB GLN B 52 4.263 -12.356 -3.500 1.00 0.00 C ATOM 1816 CG GLN B 52 3.090 -12.825 -2.655 1.00 0.00 C ATOM 1817 CD GLN B 52 3.413 -14.069 -1.850 1.00 0.00 C ATOM 1818 OE1 GLN B 52 3.974 -13.987 -0.758 1.00 0.00 O ATOM 1819 NE2 GLN B 52 3.059 -15.230 -2.388 1.00 0.00 N ATOM 0 H GLN B 52 6.717 -12.554 -4.465 1.00 0.00 H new ATOM 0 HA GLN B 52 4.443 -14.410 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.063 -12.018 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN B 52 3.952 -11.495 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN B 52 2.792 -12.025 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN B 52 2.238 -13.027 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN B 52 2.596 -15.251 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN B 52 3.250 -16.101 -1.893 1.00 0.00 H new ATOM 1828 N ALA B 53 4.748 -12.063 -6.439 1.00 0.00 N ATOM 1829 CA ALA B 53 4.349 -11.701 -7.793 1.00 0.00 C ATOM 1830 C ALA B 53 4.921 -12.671 -8.822 1.00 0.00 C ATOM 1831 O ALA B 53 4.197 -13.495 -9.381 1.00 0.00 O ATOM 1832 CB ALA B 53 4.782 -10.276 -8.107 1.00 0.00 C ATOM 0 H ALA B 53 5.368 -11.390 -5.988 1.00 0.00 H new ATOM 0 HA ALA B 53 3.262 -11.761 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA B 53 4.478 -10.018 -9.121 1.00 0.00 H new ATOM 0 HB2 ALA B 53 4.313 -9.590 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA B 53 5.866 -10.198 -8.023 1.00 0.00 H new ATOM 1838 N GLU B 54 6.223 -12.567 -9.071 1.00 0.00 N ATOM 1839 CA GLU B 54 6.888 -13.434 -10.036 1.00 0.00 C ATOM 1840 C GLU B 54 7.947 -14.296 -9.355 1.00 0.00 C ATOM 1841 O GLU B 54 8.802 -13.788 -8.631 1.00 0.00 O ATOM 1842 CB GLU B 54 7.532 -12.600 -11.145 1.00 0.00 C ATOM 1843 CG GLU B 54 6.607 -12.333 -12.321 1.00 0.00 C ATOM 1844 CD GLU B 54 6.305 -10.858 -12.505 1.00 0.00 C ATOM 1845 OE1 GLU B 54 7.264 -10.063 -12.601 1.00 0.00 O ATOM 1846 OE2 GLU B 54 5.110 -10.497 -12.552 1.00 0.00 O ATOM 0 H GLU B 54 6.838 -11.891 -8.618 1.00 0.00 H new ATOM 0 HA GLU B 54 6.136 -14.090 -10.474 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.860 -11.648 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.423 -13.115 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.062 -12.723 -13.232 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.673 -12.875 -12.174 1.00 0.00 H new ATOM 1853 N LYS B 55 7.887 -15.600 -9.597 1.00 0.00 N ATOM 1854 CA LYS B 55 8.843 -16.531 -9.010 1.00 0.00 C ATOM 1855 C LYS B 55 10.248 -16.274 -9.546 1.00 0.00 C ATOM 1856 O LYS B 55 10.636 -16.812 -10.583 1.00 0.00 O ATOM 1857 CB LYS B 55 8.428 -17.974 -9.303 1.00 0.00 C ATOM 1858 CG LYS B 55 8.057 -18.217 -10.757 1.00 0.00 C ATOM 1859 CD LYS B 55 8.480 -19.603 -11.216 1.00 0.00 C ATOM 1860 CE LYS B 55 8.974 -19.587 -12.653 1.00 0.00 C ATOM 1861 NZ LYS B 55 8.793 -20.907 -13.318 1.00 0.00 N ATOM 0 H LYS B 55 7.186 -16.037 -10.196 1.00 0.00 H new ATOM 0 HA LYS B 55 8.850 -16.376 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS B 55 9.245 -18.641 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS B 55 7.579 -18.234 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS B 55 6.980 -18.104 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.532 -17.464 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS B 55 9.268 -19.979 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.638 -20.290 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.436 -18.822 -13.213 1.00 0.00 H new ATOM 0 HE3 LYS B 55 10.029 -19.313 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.142 -20.854 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 9.326 -21.633 -12.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.784 -21.157 -13.324 1.00 0.00 H new