USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -8.36! C(o=-13!,f=-14!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -4.99 K(o=-13,f=-19!) USER MOD Set 2.1: A 7 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl 156:sc= -0.492 (180deg=-2.62) USER MOD Set 2.3: A 65 MET CE :methyl -132:sc= 0 (180deg=-0.024) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 TYR OH : rot 180:sc= 0.00395 USER MOD Set 3.3: A 54 LYS NZ :NH3+ -146:sc= 0.00479 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00213 (180deg=-0.00213) USER MOD Single : A 1 MET N :NH3+ -111:sc= -3.33! (180deg=-6.17!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0.085) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.397 F(o=-1.8,f=0.4) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.178 (180deg=-0.796) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 126:sc= -0.516 USER MOD Single : A 19 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.066) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.866 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3!) USER MOD Single : A 35 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.0365 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -2.29 USER MOD Single : A 81 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.83) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.073 -1.698 12.366 1.00 0.00 N ATOM 2 CA MET A 1 3.108 -2.355 11.440 1.00 0.00 C ATOM 3 C MET A 1 3.099 -1.684 10.072 1.00 0.00 C ATOM 4 O MET A 1 2.967 -0.466 9.967 1.00 0.00 O ATOM 5 CB MET A 1 1.727 -2.287 12.085 1.00 0.00 C ATOM 6 CG MET A 1 0.584 -2.776 11.219 1.00 0.00 C ATOM 7 SD MET A 1 -1.019 -2.214 11.825 1.00 0.00 S ATOM 8 CE MET A 1 -1.354 -3.438 13.088 1.00 0.00 C ATOM 0 H1 MET A 1 4.869 -2.341 12.551 1.00 0.00 H new ATOM 0 H2 MET A 1 4.429 -0.822 11.932 1.00 0.00 H new ATOM 0 H3 MET A 1 3.595 -1.471 13.262 1.00 0.00 H new ATOM 0 HA MET A 1 3.403 -3.391 11.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.743 -2.875 13.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.528 -1.254 12.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.728 -2.424 10.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.596 -3.865 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.315 -3.224 13.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.383 -4.429 12.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.568 -3.407 13.843 1.00 0.00 H new ATOM 20 N PHE A 2 3.243 -2.485 9.022 1.00 0.00 N ATOM 21 CA PHE A 2 3.257 -1.957 7.667 1.00 0.00 C ATOM 22 C PHE A 2 1.916 -1.334 7.320 1.00 0.00 C ATOM 23 O PHE A 2 0.889 -1.668 7.912 1.00 0.00 O ATOM 24 CB PHE A 2 3.605 -3.053 6.660 1.00 0.00 C ATOM 25 CG PHE A 2 5.028 -3.518 6.747 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.387 -4.523 7.628 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.004 -2.955 5.944 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.694 -4.957 7.707 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.314 -3.385 6.018 1.00 0.00 C ATOM 30 CZ PHE A 2 7.659 -4.389 6.902 1.00 0.00 C ATOM 0 H PHE A 2 3.351 -3.497 9.084 1.00 0.00 H new ATOM 0 HA PHE A 2 4.024 -1.184 7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.943 -3.904 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.413 -2.684 5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.636 -4.972 8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.738 -2.170 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.962 -5.742 8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.067 -2.938 5.386 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.682 -4.728 6.963 1.00 0.00 H new ATOM 40 N LYS A 3 1.935 -0.422 6.362 1.00 0.00 N ATOM 41 CA LYS A 3 0.728 0.260 5.935 1.00 0.00 C ATOM 42 C LYS A 3 0.613 0.243 4.420 1.00 0.00 C ATOM 43 O LYS A 3 1.484 0.752 3.721 1.00 0.00 O ATOM 44 CB LYS A 3 0.745 1.703 6.437 1.00 0.00 C ATOM 45 CG LYS A 3 0.089 1.885 7.795 1.00 0.00 C ATOM 46 CD LYS A 3 1.070 1.600 8.922 1.00 0.00 C ATOM 47 CE LYS A 3 0.992 2.658 10.012 1.00 0.00 C ATOM 48 NZ LYS A 3 1.999 3.735 9.813 1.00 0.00 N ATOM 0 H LYS A 3 2.778 -0.137 5.864 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.133 -0.260 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.778 2.047 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.237 2.337 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.288 2.904 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.770 1.219 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.859 0.620 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.083 1.562 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.007 3.093 10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.148 2.190 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.640 4.625 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.886 3.473 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.176 3.861 8.796 1.00 0.00 H new ATOM 62 N VAL A 4 -0.462 -0.345 3.910 1.00 0.00 N ATOM 63 CA VAL A 4 -0.662 -0.408 2.467 1.00 0.00 C ATOM 64 C VAL A 4 -1.786 0.514 2.012 1.00 0.00 C ATOM 65 O VAL A 4 -2.852 0.568 2.623 1.00 0.00 O ATOM 66 CB VAL A 4 -0.966 -1.842 1.980 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.573 -1.821 0.584 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.292 -2.686 1.983 1.00 0.00 C ATOM 0 H VAL A 4 -1.200 -0.780 4.465 1.00 0.00 H new ATOM 0 HA VAL A 4 0.278 -0.078 2.024 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.687 -2.284 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.779 -2.842 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.502 -1.251 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.873 -1.355 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.056 -3.692 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.032 -2.238 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.694 -2.736 2.995 1.00 0.00 H new ATOM 78 N TYR A 5 -1.538 1.204 0.908 1.00 0.00 N ATOM 79 CA TYR A 5 -2.513 2.105 0.318 1.00 0.00 C ATOM 80 C TYR A 5 -2.908 1.576 -1.051 1.00 0.00 C ATOM 81 O TYR A 5 -2.167 1.730 -2.020 1.00 0.00 O ATOM 82 CB TYR A 5 -1.944 3.518 0.176 1.00 0.00 C ATOM 83 CG TYR A 5 -1.747 4.251 1.486 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.048 3.671 2.538 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.243 5.537 1.658 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.852 4.353 3.723 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.052 6.223 2.843 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.355 5.628 3.870 1.00 0.00 C ATOM 89 OH TYR A 5 -1.158 6.309 5.049 1.00 0.00 O ATOM 0 H TYR A 5 -0.656 1.154 0.398 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.384 2.155 0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.986 3.460 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.612 4.103 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.652 2.672 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.787 6.009 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.307 3.889 4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.448 7.221 2.962 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.574 7.194 4.989 1.00 0.00 H new ATOM 99 N GLY A 6 -4.062 0.935 -1.122 1.00 0.00 N ATOM 100 CA GLY A 6 -4.512 0.384 -2.378 1.00 0.00 C ATOM 101 C GLY A 6 -6.001 0.126 -2.390 1.00 0.00 C ATOM 102 O GLY A 6 -6.786 0.944 -1.912 1.00 0.00 O ATOM 0 H GLY A 6 -4.693 0.787 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.258 1.071 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.982 -0.548 -2.574 1.00 0.00 H new ATOM 106 N TYR A 7 -6.388 -1.010 -2.949 1.00 0.00 N ATOM 107 CA TYR A 7 -7.780 -1.379 -3.041 1.00 0.00 C ATOM 108 C TYR A 7 -8.021 -2.762 -2.442 1.00 0.00 C ATOM 109 O TYR A 7 -7.100 -3.573 -2.345 1.00 0.00 O ATOM 110 CB TYR A 7 -8.191 -1.348 -4.501 1.00 0.00 C ATOM 111 CG TYR A 7 -7.801 -0.058 -5.181 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.409 1.137 -4.829 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.815 -0.032 -6.154 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.048 2.323 -5.430 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.445 1.153 -6.761 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.065 2.328 -6.396 1.00 0.00 C ATOM 117 OH TYR A 7 -6.701 3.511 -6.998 1.00 0.00 O ATOM 0 H TYR A 7 -5.745 -1.694 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.382 -0.671 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.729 -2.185 -5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.270 -1.483 -4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.178 1.138 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.328 -0.952 -6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.533 3.245 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.674 1.158 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.832 4.252 -6.370 1.00 0.00 H new ATOM 127 N ASP A 8 -9.259 -3.023 -2.037 1.00 0.00 N ATOM 128 CA ASP A 8 -9.606 -4.309 -1.446 1.00 0.00 C ATOM 129 C ASP A 8 -9.788 -5.370 -2.526 1.00 0.00 C ATOM 130 O ASP A 8 -8.975 -6.286 -2.650 1.00 0.00 O ATOM 131 CB ASP A 8 -10.881 -4.186 -0.608 1.00 0.00 C ATOM 132 CG ASP A 8 -11.232 -5.477 0.105 1.00 0.00 C ATOM 133 OD1 ASP A 8 -11.563 -6.465 -0.583 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.178 -5.499 1.353 1.00 0.00 O ATOM 0 H ASP A 8 -10.035 -2.365 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.786 -4.615 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.754 -3.391 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.710 -3.894 -1.253 1.00 0.00 H new ATOM 139 N SER A 9 -10.858 -5.240 -3.307 1.00 0.00 N ATOM 140 CA SER A 9 -11.146 -6.187 -4.383 1.00 0.00 C ATOM 141 C SER A 9 -12.531 -5.938 -4.967 1.00 0.00 C ATOM 142 O SER A 9 -12.730 -6.017 -6.179 1.00 0.00 O ATOM 143 CB SER A 9 -11.050 -7.629 -3.878 1.00 0.00 C ATOM 144 OG SER A 9 -11.679 -8.529 -4.775 1.00 0.00 O ATOM 0 H SER A 9 -11.541 -4.488 -3.215 1.00 0.00 H new ATOM 0 HA SER A 9 -10.402 -6.037 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.003 -7.905 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.516 -7.705 -2.896 1.00 0.00 H new ATOM 0 HG SER A 9 -11.602 -9.443 -4.429 1.00 0.00 H new ATOM 150 N ASN A 10 -13.487 -5.636 -4.096 1.00 0.00 N ATOM 151 CA ASN A 10 -14.855 -5.375 -4.524 1.00 0.00 C ATOM 152 C ASN A 10 -14.977 -3.982 -5.131 1.00 0.00 C ATOM 153 O ASN A 10 -15.863 -3.724 -5.946 1.00 0.00 O ATOM 154 CB ASN A 10 -15.820 -5.522 -3.348 1.00 0.00 C ATOM 155 CG ASN A 10 -17.189 -6.008 -3.783 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.932 -5.289 -4.450 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.530 -7.235 -3.406 1.00 0.00 N ATOM 0 H ASN A 10 -13.339 -5.566 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.116 -6.108 -5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.402 -6.221 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.922 -4.562 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.439 -7.615 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.883 -7.797 -2.853 1.00 0.00 H new ATOM 164 N ILE A 11 -14.074 -3.089 -4.738 1.00 0.00 N ATOM 165 CA ILE A 11 -14.074 -1.726 -5.251 1.00 0.00 C ATOM 166 C ILE A 11 -13.197 -1.632 -6.490 1.00 0.00 C ATOM 167 O ILE A 11 -13.571 -1.019 -7.490 1.00 0.00 O ATOM 168 CB ILE A 11 -13.560 -0.722 -4.199 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.211 -0.991 -2.839 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.832 0.707 -4.650 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.529 -2.084 -2.041 1.00 0.00 C ATOM 0 H ILE A 11 -13.333 -3.286 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.105 -1.473 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.483 -0.850 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.206 -0.070 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.255 -1.264 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.463 1.403 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.323 0.893 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.905 0.849 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.046 -2.217 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.558 -3.017 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.492 -1.805 -1.854 1.00 0.00 H new ATOM 183 N HIS A 12 -12.032 -2.262 -6.416 1.00 0.00 N ATOM 184 CA HIS A 12 -11.093 -2.275 -7.524 1.00 0.00 C ATOM 185 C HIS A 12 -10.242 -3.534 -7.474 1.00 0.00 C ATOM 186 O HIS A 12 -9.939 -4.047 -6.397 1.00 0.00 O ATOM 187 CB HIS A 12 -10.203 -1.033 -7.496 1.00 0.00 C ATOM 188 CG HIS A 12 -9.529 -0.741 -8.799 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.216 -0.543 -9.080 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.192 -0.625 -9.999 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.068 -0.312 -10.444 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.283 -0.373 -10.951 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.715 -2.774 -5.592 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.660 -2.268 -8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.807 -0.172 -7.209 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.443 -1.160 -6.725 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.457 -0.561 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.257 -0.720 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.148 -0.122 -10.977 1.00 0.00 H new ATOM 200 N LYS A 13 -9.865 -4.032 -8.639 1.00 0.00 N ATOM 201 CA LYS A 13 -9.059 -5.242 -8.718 1.00 0.00 C ATOM 202 C LYS A 13 -7.588 -4.945 -8.444 1.00 0.00 C ATOM 203 O LYS A 13 -7.140 -3.804 -8.565 1.00 0.00 O ATOM 204 CB LYS A 13 -9.234 -5.911 -10.087 1.00 0.00 C ATOM 205 CG LYS A 13 -8.434 -5.266 -11.210 1.00 0.00 C ATOM 206 CD LYS A 13 -7.436 -6.247 -11.806 1.00 0.00 C ATOM 207 CE LYS A 13 -6.486 -5.562 -12.774 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.865 -4.347 -12.180 1.00 0.00 N ATOM 0 H LYS A 13 -10.102 -3.620 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.406 -5.931 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.943 -6.958 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.291 -5.893 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.112 -4.915 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.906 -4.392 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.864 -6.716 -11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.972 -7.043 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.704 -6.261 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.027 -5.287 -13.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.895 -4.241 -12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.424 -3.509 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.841 -4.440 -11.144 1.00 0.00 H new ATOM 222 N CYS A 14 -6.845 -5.982 -8.067 1.00 0.00 N ATOM 223 CA CYS A 14 -5.425 -5.840 -7.766 1.00 0.00 C ATOM 224 C CYS A 14 -4.809 -7.196 -7.432 1.00 0.00 C ATOM 225 O CYS A 14 -5.047 -7.751 -6.360 1.00 0.00 O ATOM 226 CB CYS A 14 -5.222 -4.866 -6.604 1.00 0.00 C ATOM 227 SG CYS A 14 -4.217 -3.421 -7.016 1.00 0.00 S ATOM 0 H CYS A 14 -7.204 -6.931 -7.963 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.925 -5.441 -8.649 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.197 -4.528 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.752 -5.398 -5.777 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.105 -2.658 -5.970 1.00 0.00 H new ATOM 233 N VAL A 15 -4.024 -7.727 -8.364 1.00 0.00 N ATOM 234 CA VAL A 15 -3.381 -9.024 -8.180 1.00 0.00 C ATOM 235 C VAL A 15 -2.159 -8.924 -7.272 1.00 0.00 C ATOM 236 O VAL A 15 -1.881 -9.832 -6.489 1.00 0.00 O ATOM 237 CB VAL A 15 -2.950 -9.631 -9.530 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.161 -9.893 -10.410 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.959 -8.717 -10.237 1.00 0.00 C ATOM 0 H VAL A 15 -3.817 -7.278 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.121 -9.672 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.457 -10.583 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.836 -10.321 -11.358 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.832 -10.590 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.685 -8.956 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.667 -9.163 -11.188 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.423 -7.748 -10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.076 -8.585 -9.612 1.00 0.00 H new ATOM 249 N TYR A 16 -1.424 -7.823 -7.391 1.00 0.00 N ATOM 250 CA TYR A 16 -0.224 -7.615 -6.587 1.00 0.00 C ATOM 251 C TYR A 16 -0.553 -7.547 -5.099 1.00 0.00 C ATOM 252 O TYR A 16 0.315 -7.767 -4.254 1.00 0.00 O ATOM 253 CB TYR A 16 0.497 -6.340 -7.025 1.00 0.00 C ATOM 254 CG TYR A 16 1.440 -6.557 -8.186 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.641 -7.232 -8.012 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.127 -6.092 -9.456 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.504 -7.438 -9.071 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.985 -6.293 -10.522 1.00 0.00 C ATOM 259 CZ TYR A 16 3.171 -6.967 -10.324 1.00 0.00 C ATOM 260 OH TYR A 16 4.029 -7.169 -11.381 1.00 0.00 O ATOM 0 H TYR A 16 -1.638 -7.062 -8.035 1.00 0.00 H new ATOM 0 HA TYR A 16 0.434 -8.469 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.243 -5.589 -7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.057 -5.939 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.905 -7.602 -7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.198 -5.564 -9.614 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.434 -7.965 -8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.727 -5.924 -11.504 1.00 0.00 H new ATOM 0 HH TYR A 16 3.646 -6.777 -12.193 1.00 0.00 H new ATOM 270 N CYS A 17 -1.807 -7.245 -4.779 1.00 0.00 N ATOM 271 CA CYS A 17 -2.232 -7.158 -3.388 1.00 0.00 C ATOM 272 C CYS A 17 -2.125 -8.519 -2.709 1.00 0.00 C ATOM 273 O CYS A 17 -1.502 -8.654 -1.656 1.00 0.00 O ATOM 274 CB CYS A 17 -3.671 -6.642 -3.299 1.00 0.00 C ATOM 275 SG CYS A 17 -4.060 -5.812 -1.741 1.00 0.00 S ATOM 0 H CYS A 17 -2.543 -7.057 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.574 -6.457 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.849 -5.950 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.355 -7.480 -3.433 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.539 -4.629 -1.987 1.00 0.00 H new ATOM 281 N ASP A 18 -2.734 -9.528 -3.325 1.00 0.00 N ATOM 282 CA ASP A 18 -2.714 -10.884 -2.785 1.00 0.00 C ATOM 283 C ASP A 18 -1.285 -11.370 -2.558 1.00 0.00 C ATOM 284 O ASP A 18 -1.023 -12.147 -1.640 1.00 0.00 O ATOM 285 CB ASP A 18 -3.441 -11.839 -3.734 1.00 0.00 C ATOM 286 CG ASP A 18 -3.836 -13.136 -3.056 1.00 0.00 C ATOM 287 OD1 ASP A 18 -3.018 -14.080 -3.054 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.964 -13.206 -2.523 1.00 0.00 O ATOM 0 H ASP A 18 -3.249 -9.432 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.226 -10.868 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.333 -11.350 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.799 -12.059 -4.587 1.00 0.00 H new ATOM 293 N ASN A 19 -0.365 -10.917 -3.405 1.00 0.00 N ATOM 294 CA ASN A 19 1.034 -11.316 -3.298 1.00 0.00 C ATOM 295 C ASN A 19 1.705 -10.660 -2.095 1.00 0.00 C ATOM 296 O ASN A 19 2.291 -11.341 -1.253 1.00 0.00 O ATOM 297 CB ASN A 19 1.791 -10.956 -4.579 1.00 0.00 C ATOM 298 CG ASN A 19 1.452 -11.886 -5.728 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.562 -13.106 -5.607 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.037 -11.313 -6.852 1.00 0.00 N ATOM 0 H ASN A 19 -0.563 -10.274 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 19 1.063 -12.397 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.554 -9.930 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.863 -10.994 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.795 -11.888 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.960 -10.297 -6.909 1.00 0.00 H new ATOM 307 N ALA A 20 1.616 -9.335 -2.017 1.00 0.00 N ATOM 308 CA ALA A 20 2.219 -8.592 -0.916 1.00 0.00 C ATOM 309 C ALA A 20 1.723 -9.106 0.431 1.00 0.00 C ATOM 310 O ALA A 20 2.512 -9.372 1.337 1.00 0.00 O ATOM 311 CB ALA A 20 1.919 -7.107 -1.057 1.00 0.00 C ATOM 0 H ALA A 20 1.133 -8.755 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 20 3.298 -8.741 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.375 -6.564 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.327 -6.741 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.840 -6.951 -1.044 1.00 0.00 H new ATOM 317 N LYS A 21 0.409 -9.250 0.551 1.00 0.00 N ATOM 318 CA LYS A 21 -0.202 -9.735 1.785 1.00 0.00 C ATOM 319 C LYS A 21 0.318 -11.125 2.139 1.00 0.00 C ATOM 320 O LYS A 21 0.761 -11.365 3.262 1.00 0.00 O ATOM 321 CB LYS A 21 -1.725 -9.769 1.640 1.00 0.00 C ATOM 322 CG LYS A 21 -2.449 -10.168 2.915 1.00 0.00 C ATOM 323 CD LYS A 21 -3.945 -10.308 2.685 1.00 0.00 C ATOM 324 CE LYS A 21 -4.695 -9.061 3.125 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.012 -8.169 1.976 1.00 0.00 N ATOM 0 H LYS A 21 -0.256 -9.038 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 21 0.066 -9.051 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.074 -8.785 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.991 -10.468 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.046 -11.112 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.267 -9.421 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.136 -10.495 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.319 -11.172 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.619 -9.351 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.096 -8.515 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.523 -7.330 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.129 -7.871 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.605 -8.681 1.292 1.00 0.00 H new ATOM 339 N ARG A 22 0.262 -12.038 1.173 1.00 0.00 N ATOM 340 CA ARG A 22 0.728 -13.405 1.382 1.00 0.00 C ATOM 341 C ARG A 22 2.185 -13.420 1.833 1.00 0.00 C ATOM 342 O ARG A 22 2.559 -14.170 2.735 1.00 0.00 O ATOM 343 CB ARG A 22 0.571 -14.223 0.098 1.00 0.00 C ATOM 344 CG ARG A 22 0.509 -15.724 0.337 1.00 0.00 C ATOM 345 CD ARG A 22 1.860 -16.383 0.103 1.00 0.00 C ATOM 346 NE ARG A 22 1.729 -17.675 -0.568 1.00 0.00 N ATOM 347 CZ ARG A 22 2.737 -18.528 -0.735 1.00 0.00 C ATOM 348 NH1 ARG A 22 3.949 -18.232 -0.282 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.533 -19.681 -1.357 1.00 0.00 N ATOM 0 H ARG A 22 -0.102 -11.855 0.238 1.00 0.00 H new ATOM 0 HA ARG A 22 0.119 -13.854 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.337 -13.907 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.406 -14.003 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.181 -15.917 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.233 -16.169 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.486 -15.724 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.367 -16.520 1.058 1.00 0.00 H new ATOM 0 HE ARG A 22 0.812 -17.938 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.112 -17.347 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.717 -18.890 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.604 -19.914 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.305 -20.335 -1.485 1.00 0.00 H new ATOM 363 N LEU A 23 2.999 -12.578 1.204 1.00 0.00 N ATOM 364 CA LEU A 23 4.415 -12.483 1.541 1.00 0.00 C ATOM 365 C LEU A 23 4.588 -12.138 3.015 1.00 0.00 C ATOM 366 O LEU A 23 5.275 -12.842 3.754 1.00 0.00 O ATOM 367 CB LEU A 23 5.088 -11.421 0.661 1.00 0.00 C ATOM 368 CG LEU A 23 6.439 -10.899 1.164 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.251 -10.332 0.011 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.238 -9.840 2.238 1.00 0.00 C ATOM 0 H LEU A 23 2.701 -11.951 0.457 1.00 0.00 H new ATOM 0 HA LEU A 23 4.888 -13.447 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.229 -11.838 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.408 -10.575 0.560 1.00 0.00 H new ATOM 0 HG LEU A 23 6.988 -11.734 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.207 -9.966 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.426 -11.113 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.703 -9.510 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.208 -9.482 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.669 -9.007 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.692 -10.272 3.077 1.00 0.00 H new ATOM 382 N LEU A 24 3.956 -11.047 3.433 1.00 0.00 N ATOM 383 CA LEU A 24 4.036 -10.599 4.818 1.00 0.00 C ATOM 384 C LEU A 24 3.604 -11.707 5.770 1.00 0.00 C ATOM 385 O LEU A 24 4.263 -11.963 6.779 1.00 0.00 O ATOM 386 CB LEU A 24 3.167 -9.359 5.022 1.00 0.00 C ATOM 387 CG LEU A 24 3.754 -8.068 4.453 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.650 -7.149 3.961 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.604 -7.365 5.498 1.00 0.00 C ATOM 0 H LEU A 24 3.382 -10.456 2.832 1.00 0.00 H new ATOM 0 HA LEU A 24 5.073 -10.344 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.194 -9.534 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.995 -9.224 6.090 1.00 0.00 H new ATOM 0 HG LEU A 24 4.389 -8.325 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.089 -6.235 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.080 -7.651 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.988 -6.900 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.014 -6.448 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.989 -7.122 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.420 -8.020 5.804 1.00 0.00 H new ATOM 401 N THR A 25 2.501 -12.372 5.439 1.00 0.00 N ATOM 402 CA THR A 25 1.996 -13.463 6.262 1.00 0.00 C ATOM 403 C THR A 25 3.056 -14.551 6.396 1.00 0.00 C ATOM 404 O THR A 25 3.181 -15.192 7.438 1.00 0.00 O ATOM 405 CB THR A 25 0.719 -14.045 5.654 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.158 -13.010 5.247 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.041 -14.945 6.604 1.00 0.00 C ATOM 0 H THR A 25 1.942 -12.174 4.609 1.00 0.00 H new ATOM 0 HA THR A 25 1.762 -13.072 7.252 1.00 0.00 H new ATOM 0 HB THR A 25 1.049 -14.641 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.192 -12.584 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.935 -15.324 6.109 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.593 -15.782 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.328 -14.379 7.490 1.00 0.00 H new ATOM 415 N VAL A 26 3.826 -14.739 5.328 1.00 0.00 N ATOM 416 CA VAL A 26 4.889 -15.733 5.308 1.00 0.00 C ATOM 417 C VAL A 26 6.132 -15.209 6.021 1.00 0.00 C ATOM 418 O VAL A 26 6.900 -15.977 6.602 1.00 0.00 O ATOM 419 CB VAL A 26 5.260 -16.123 3.863 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.322 -17.213 3.852 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.022 -16.567 3.097 1.00 0.00 C ATOM 0 H VAL A 26 3.731 -14.211 4.461 1.00 0.00 H new ATOM 0 HA VAL A 26 4.518 -16.616 5.829 1.00 0.00 H new ATOM 0 HB VAL A 26 5.674 -15.245 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.567 -17.471 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.217 -16.854 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.943 -18.096 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.302 -16.839 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.577 -17.429 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.299 -15.751 3.069 1.00 0.00 H new ATOM 431 N LYS A 27 6.321 -13.893 5.973 1.00 0.00 N ATOM 432 CA LYS A 27 7.466 -13.259 6.617 1.00 0.00 C ATOM 433 C LYS A 27 7.237 -13.110 8.122 1.00 0.00 C ATOM 434 O LYS A 27 8.173 -12.844 8.875 1.00 0.00 O ATOM 435 CB LYS A 27 7.735 -11.887 5.987 1.00 0.00 C ATOM 436 CG LYS A 27 9.021 -11.828 5.175 1.00 0.00 C ATOM 437 CD LYS A 27 10.220 -11.509 6.053 1.00 0.00 C ATOM 438 CE LYS A 27 11.480 -12.194 5.551 1.00 0.00 C ATOM 439 NZ LYS A 27 12.631 -11.978 6.471 1.00 0.00 N ATOM 0 H LYS A 27 5.695 -13.245 5.494 1.00 0.00 H new ATOM 0 HA LYS A 27 8.336 -13.898 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.897 -11.622 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.780 -11.137 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.180 -12.783 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.927 -11.071 4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.377 -10.431 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.017 -11.825 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.295 -13.263 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.730 -11.814 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.472 -12.461 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.824 -10.959 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.402 -12.363 7.410 1.00 0.00 H new ATOM 453 N LYS A 28 5.986 -13.281 8.553 1.00 0.00 N ATOM 454 CA LYS A 28 5.634 -13.164 9.966 1.00 0.00 C ATOM 455 C LYS A 28 5.820 -11.730 10.454 1.00 0.00 C ATOM 456 O LYS A 28 6.611 -11.466 11.360 1.00 0.00 O ATOM 457 CB LYS A 28 6.477 -14.125 10.811 1.00 0.00 C ATOM 458 CG LYS A 28 5.787 -15.450 11.092 1.00 0.00 C ATOM 459 CD LYS A 28 5.639 -16.280 9.827 1.00 0.00 C ATOM 460 CE LYS A 28 4.430 -17.198 9.902 1.00 0.00 C ATOM 461 NZ LYS A 28 4.449 -18.232 8.831 1.00 0.00 N ATOM 0 H LYS A 28 5.200 -13.501 7.942 1.00 0.00 H new ATOM 0 HA LYS A 28 4.583 -13.432 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.419 -14.317 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.722 -13.644 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.360 -16.010 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.804 -15.265 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.542 -15.619 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.540 -16.874 9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.405 -17.686 10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.519 -16.606 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.608 -18.837 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.447 -17.768 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.305 -18.814 8.926 1.00 0.00 H new ATOM 475 N GLN A 29 5.084 -10.807 9.846 1.00 0.00 N ATOM 476 CA GLN A 29 5.167 -9.400 10.217 1.00 0.00 C ATOM 477 C GLN A 29 3.777 -8.788 10.371 1.00 0.00 C ATOM 478 O GLN A 29 2.861 -9.110 9.614 1.00 0.00 O ATOM 479 CB GLN A 29 5.959 -8.622 9.163 1.00 0.00 C ATOM 480 CG GLN A 29 7.430 -8.460 9.507 1.00 0.00 C ATOM 481 CD GLN A 29 7.651 -7.585 10.725 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.779 -6.366 10.612 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.697 -8.205 11.899 1.00 0.00 N ATOM 0 H GLN A 29 4.424 -11.008 9.095 1.00 0.00 H new ATOM 0 HA GLN A 29 5.680 -9.336 11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.873 -9.134 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.512 -7.635 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.868 -9.442 9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.953 -8.028 8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.586 -9.218 11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.843 -7.668 12.754 1.00 0.00 H new ATOM 492 N PRO A 30 3.601 -7.881 11.350 1.00 0.00 N ATOM 493 CA PRO A 30 2.322 -7.214 11.585 1.00 0.00 C ATOM 494 C PRO A 30 2.108 -6.065 10.614 1.00 0.00 C ATOM 495 O PRO A 30 3.005 -5.250 10.407 1.00 0.00 O ATOM 496 CB PRO A 30 2.479 -6.682 13.005 1.00 0.00 C ATOM 497 CG PRO A 30 3.927 -6.354 13.098 1.00 0.00 C ATOM 498 CD PRO A 30 4.638 -7.417 12.297 1.00 0.00 C ATOM 0 HA PRO A 30 1.467 -7.877 11.451 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.857 -5.803 13.175 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.188 -7.426 13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.130 -5.361 12.698 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.263 -6.355 14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.507 -7.014 11.776 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.994 -8.228 12.932 1.00 0.00 H new ATOM 506 N PHE A 31 0.928 -5.997 10.015 1.00 0.00 N ATOM 507 CA PHE A 31 0.637 -4.935 9.065 1.00 0.00 C ATOM 508 C PHE A 31 -0.858 -4.659 8.957 1.00 0.00 C ATOM 509 O PHE A 31 -1.679 -5.411 9.480 1.00 0.00 O ATOM 510 CB PHE A 31 1.201 -5.284 7.707 1.00 0.00 C ATOM 511 CG PHE A 31 0.460 -6.396 7.049 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.708 -6.144 6.362 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.917 -7.695 7.145 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.411 -7.170 5.773 1.00 0.00 C ATOM 515 CE2 PHE A 31 0.220 -8.731 6.563 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.949 -8.470 5.873 1.00 0.00 C ATOM 0 H PHE A 31 0.165 -6.656 10.168 1.00 0.00 H new ATOM 0 HA PHE A 31 1.112 -4.026 9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.170 -4.402 7.067 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.249 -5.563 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.075 -5.131 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.831 -7.901 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.323 -6.960 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.586 -9.744 6.646 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.499 -9.278 5.414 1.00 0.00 H new ATOM 526 N GLU A 32 -1.203 -3.576 8.264 1.00 0.00 N ATOM 527 CA GLU A 32 -2.601 -3.203 8.079 1.00 0.00 C ATOM 528 C GLU A 32 -2.825 -2.584 6.706 1.00 0.00 C ATOM 529 O GLU A 32 -1.957 -1.890 6.174 1.00 0.00 O ATOM 530 CB GLU A 32 -3.045 -2.224 9.166 1.00 0.00 C ATOM 531 CG GLU A 32 -3.746 -2.894 10.338 1.00 0.00 C ATOM 532 CD GLU A 32 -4.222 -1.899 11.377 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.579 -0.839 11.525 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.241 -2.179 12.045 1.00 0.00 O ATOM 0 H GLU A 32 -0.535 -2.944 7.823 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.199 -4.111 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.173 -1.684 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.715 -1.485 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.598 -3.465 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.065 -3.605 10.806 1.00 0.00 H new ATOM 541 N PHE A 33 -3.997 -2.842 6.138 1.00 0.00 N ATOM 542 CA PHE A 33 -4.349 -2.319 4.831 1.00 0.00 C ATOM 543 C PHE A 33 -5.018 -0.955 4.948 1.00 0.00 C ATOM 544 O PHE A 33 -5.563 -0.606 5.995 1.00 0.00 O ATOM 545 CB PHE A 33 -5.290 -3.295 4.126 1.00 0.00 C ATOM 546 CG PHE A 33 -5.275 -3.165 2.637 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.142 -3.498 1.921 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.389 -2.708 1.956 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.117 -3.376 0.546 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.373 -2.584 0.581 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.233 -2.919 -0.125 1.00 0.00 C ATOM 0 H PHE A 33 -4.722 -3.415 6.569 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.434 -2.202 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.014 -4.314 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.306 -3.133 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.267 -3.857 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.281 -2.445 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.225 -3.638 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.248 -2.226 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.216 -2.823 -1.201 1.00 0.00 H new ATOM 561 N ILE A 34 -4.981 -0.196 3.860 1.00 0.00 N ATOM 562 CA ILE A 34 -5.591 1.125 3.821 1.00 0.00 C ATOM 563 C ILE A 34 -6.228 1.369 2.464 1.00 0.00 C ATOM 564 O ILE A 34 -5.556 1.369 1.433 1.00 0.00 O ATOM 565 CB ILE A 34 -4.580 2.240 4.121 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.716 1.853 5.321 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.302 3.554 4.381 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.537 2.771 5.546 1.00 0.00 C ATOM 0 H ILE A 34 -4.532 -0.476 2.988 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.354 1.149 4.599 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.933 2.372 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.337 1.848 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.351 0.836 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.572 4.335 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.884 3.830 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.969 3.440 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.972 2.432 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.893 2.758 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.894 3.786 5.719 1.00 0.00 H new ATOM 580 N ASN A 35 -7.534 1.553 2.482 1.00 0.00 N ATOM 581 CA ASN A 35 -8.299 1.779 1.262 1.00 0.00 C ATOM 582 C ASN A 35 -8.217 3.230 0.812 1.00 0.00 C ATOM 583 O ASN A 35 -8.635 4.140 1.528 1.00 0.00 O ATOM 584 CB ASN A 35 -9.762 1.382 1.474 1.00 0.00 C ATOM 585 CG ASN A 35 -10.021 -0.069 1.121 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.167 -0.743 0.548 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.209 -0.556 1.462 1.00 0.00 N ATOM 0 H ASN A 35 -8.095 1.551 3.334 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.865 1.158 0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.036 1.555 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.402 2.021 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.443 -1.526 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.887 0.040 1.937 1.00 0.00 H new ATOM 594 N ILE A 36 -7.688 3.433 -0.388 1.00 0.00 N ATOM 595 CA ILE A 36 -7.566 4.767 -0.951 1.00 0.00 C ATOM 596 C ILE A 36 -8.859 5.159 -1.663 1.00 0.00 C ATOM 597 O ILE A 36 -9.199 6.339 -1.749 1.00 0.00 O ATOM 598 CB ILE A 36 -6.375 4.855 -1.930 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.338 6.219 -2.626 1.00 0.00 C ATOM 600 CG2 ILE A 36 -6.443 3.732 -2.953 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.040 6.486 -3.358 1.00 0.00 C ATOM 0 H ILE A 36 -7.337 2.688 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.383 5.462 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.455 4.745 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.165 6.280 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.495 7.002 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.596 3.809 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.410 2.771 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.372 3.810 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.083 7.469 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.211 6.457 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.891 5.724 -4.123 1.00 0.00 H new ATOM 613 N MET A 37 -9.584 4.158 -2.157 1.00 0.00 N ATOM 614 CA MET A 37 -10.845 4.396 -2.848 1.00 0.00 C ATOM 615 C MET A 37 -11.952 3.504 -2.289 1.00 0.00 C ATOM 616 O MET A 37 -12.092 2.350 -2.692 1.00 0.00 O ATOM 617 CB MET A 37 -10.692 4.149 -4.351 1.00 0.00 C ATOM 618 CG MET A 37 -11.979 4.362 -5.135 1.00 0.00 C ATOM 619 SD MET A 37 -11.686 4.890 -6.833 1.00 0.00 S ATOM 620 CE MET A 37 -10.322 3.823 -7.288 1.00 0.00 C ATOM 0 H MET A 37 -9.318 3.175 -2.091 1.00 0.00 H new ATOM 0 HA MET A 37 -11.121 5.438 -2.685 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.922 4.813 -4.744 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.344 3.128 -4.510 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.552 3.435 -5.142 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.588 5.110 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.297 3.706 -8.371 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.385 4.266 -6.950 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.452 2.847 -6.820 1.00 0.00 H new ATOM 630 N PRO A 38 -12.759 4.028 -1.347 1.00 0.00 N ATOM 631 CA PRO A 38 -13.855 3.271 -0.738 1.00 0.00 C ATOM 632 C PRO A 38 -15.085 3.186 -1.640 1.00 0.00 C ATOM 633 O PRO A 38 -16.058 2.507 -1.314 1.00 0.00 O ATOM 634 CB PRO A 38 -14.172 4.078 0.519 1.00 0.00 C ATOM 635 CG PRO A 38 -13.820 5.482 0.162 1.00 0.00 C ATOM 636 CD PRO A 38 -12.666 5.397 -0.804 1.00 0.00 C ATOM 0 HA PRO A 38 -13.578 2.234 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.224 3.990 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.591 3.728 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.670 5.992 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.543 6.051 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.748 6.146 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.712 5.564 -0.303 1.00 0.00 H new ATOM 644 N GLU A 39 -15.037 3.879 -2.776 1.00 0.00 N ATOM 645 CA GLU A 39 -16.148 3.879 -3.719 1.00 0.00 C ATOM 646 C GLU A 39 -15.638 3.819 -5.155 1.00 0.00 C ATOM 647 O GLU A 39 -14.649 4.463 -5.498 1.00 0.00 O ATOM 648 CB GLU A 39 -17.008 5.130 -3.524 1.00 0.00 C ATOM 649 CG GLU A 39 -17.875 5.083 -2.277 1.00 0.00 C ATOM 650 CD GLU A 39 -17.945 6.421 -1.566 1.00 0.00 C ATOM 651 OE1 GLU A 39 -17.947 7.461 -2.257 1.00 0.00 O ATOM 652 OE2 GLU A 39 -17.998 6.428 -0.318 1.00 0.00 O ATOM 0 H GLU A 39 -14.240 4.447 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.756 2.995 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.358 6.003 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.648 5.261 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.882 4.768 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.481 4.332 -1.593 1.00 0.00 H new ATOM 659 N LYS A 40 -16.320 3.042 -5.993 1.00 0.00 N ATOM 660 CA LYS A 40 -15.925 2.902 -7.393 1.00 0.00 C ATOM 661 C LYS A 40 -16.083 4.204 -8.162 1.00 0.00 C ATOM 662 O LYS A 40 -15.645 4.327 -9.306 1.00 0.00 O ATOM 663 CB LYS A 40 -16.716 1.783 -8.073 1.00 0.00 C ATOM 664 CG LYS A 40 -16.220 1.453 -9.471 1.00 0.00 C ATOM 665 CD LYS A 40 -16.831 0.159 -9.987 1.00 0.00 C ATOM 666 CE LYS A 40 -18.325 0.304 -10.226 1.00 0.00 C ATOM 667 NZ LYS A 40 -18.619 0.969 -11.526 1.00 0.00 N ATOM 0 H LYS A 40 -17.144 2.502 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.867 2.640 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.664 0.886 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.766 2.072 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.468 2.270 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.134 1.366 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.340 -0.132 -10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.653 -0.641 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.792 -0.681 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.768 0.882 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.648 1.048 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.195 1.919 -11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.219 0.405 -12.303 1.00 0.00 H new ATOM 681 N GLY A 41 -16.699 5.166 -7.517 1.00 0.00 N ATOM 682 CA GLY A 41 -16.913 6.466 -8.125 1.00 0.00 C ATOM 683 C GLY A 41 -15.710 7.375 -7.973 1.00 0.00 C ATOM 684 O GLY A 41 -15.105 7.790 -8.963 1.00 0.00 O ATOM 0 H GLY A 41 -17.063 5.077 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.137 6.337 -9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.783 6.939 -7.670 1.00 0.00 H new ATOM 688 N VAL A 42 -15.358 7.678 -6.729 1.00 0.00 N ATOM 689 CA VAL A 42 -14.220 8.542 -6.449 1.00 0.00 C ATOM 690 C VAL A 42 -13.564 8.173 -5.123 1.00 0.00 C ATOM 691 O VAL A 42 -14.245 7.988 -4.114 1.00 0.00 O ATOM 692 CB VAL A 42 -14.637 10.024 -6.405 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.411 10.924 -6.367 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.521 10.366 -7.595 1.00 0.00 C ATOM 0 H VAL A 42 -15.844 7.338 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.506 8.396 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.211 10.193 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.726 11.967 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.820 10.697 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.807 10.754 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.806 11.417 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.974 10.180 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.417 9.746 -7.573 1.00 0.00 H new ATOM 704 N PHE A 43 -12.238 8.065 -5.128 1.00 0.00 N ATOM 705 CA PHE A 43 -11.504 7.712 -3.915 1.00 0.00 C ATOM 706 C PHE A 43 -11.758 8.721 -2.801 1.00 0.00 C ATOM 707 O PHE A 43 -12.311 9.796 -3.033 1.00 0.00 O ATOM 708 CB PHE A 43 -9.998 7.609 -4.182 1.00 0.00 C ATOM 709 CG PHE A 43 -9.510 8.478 -5.302 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.783 9.833 -5.310 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.779 7.935 -6.344 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.334 10.637 -6.340 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.327 8.731 -7.378 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.605 10.085 -7.376 1.00 0.00 C ATOM 0 H PHE A 43 -11.654 8.215 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.870 6.736 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.460 7.874 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.751 6.572 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.353 10.268 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.560 6.878 -6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.552 11.695 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.758 8.297 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.253 10.711 -8.183 1.00 0.00 H new ATOM 724 N ASP A 44 -11.349 8.361 -1.588 1.00 0.00 N ATOM 725 CA ASP A 44 -11.532 9.224 -0.426 1.00 0.00 C ATOM 726 C ASP A 44 -10.376 10.211 -0.287 1.00 0.00 C ATOM 727 O ASP A 44 -9.260 9.828 0.062 1.00 0.00 O ATOM 728 CB ASP A 44 -11.650 8.382 0.846 1.00 0.00 C ATOM 729 CG ASP A 44 -12.619 8.981 1.846 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.832 9.013 1.550 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.165 9.414 2.926 1.00 0.00 O ATOM 0 H ASP A 44 -10.887 7.475 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.452 9.790 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.978 7.376 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.667 8.287 1.308 1.00 0.00 H new ATOM 736 N ASP A 45 -10.651 11.484 -0.559 1.00 0.00 N ATOM 737 CA ASP A 45 -9.635 12.528 -0.463 1.00 0.00 C ATOM 738 C ASP A 45 -8.954 12.511 0.905 1.00 0.00 C ATOM 739 O ASP A 45 -7.809 12.941 1.041 1.00 0.00 O ATOM 740 CB ASP A 45 -10.263 13.902 -0.712 1.00 0.00 C ATOM 741 CG ASP A 45 -9.262 14.908 -1.244 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.017 14.912 -2.469 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.722 15.693 -0.435 1.00 0.00 O ATOM 0 H ASP A 45 -11.571 11.818 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.880 12.332 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.084 13.800 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.691 14.277 0.218 1.00 0.00 H new ATOM 748 N GLU A 46 -9.663 12.009 1.912 1.00 0.00 N ATOM 749 CA GLU A 46 -9.122 11.935 3.265 1.00 0.00 C ATOM 750 C GLU A 46 -7.808 11.165 3.280 1.00 0.00 C ATOM 751 O GLU A 46 -6.808 11.632 3.825 1.00 0.00 O ATOM 752 CB GLU A 46 -10.128 11.269 4.205 1.00 0.00 C ATOM 753 CG GLU A 46 -11.479 11.964 4.238 1.00 0.00 C ATOM 754 CD GLU A 46 -12.214 11.750 5.547 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.141 10.628 6.092 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.864 12.703 6.025 1.00 0.00 O ATOM 0 H GLU A 46 -10.612 11.648 1.817 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.933 12.951 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.269 10.233 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.714 11.250 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.338 13.033 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.093 11.595 3.416 1.00 0.00 H new ATOM 763 N LYS A 47 -7.814 9.987 2.668 1.00 0.00 N ATOM 764 CA LYS A 47 -6.618 9.158 2.601 1.00 0.00 C ATOM 765 C LYS A 47 -5.640 9.730 1.582 1.00 0.00 C ATOM 766 O LYS A 47 -4.424 9.661 1.761 1.00 0.00 O ATOM 767 CB LYS A 47 -6.981 7.719 2.227 1.00 0.00 C ATOM 768 CG LYS A 47 -7.916 7.051 3.222 1.00 0.00 C ATOM 769 CD LYS A 47 -7.262 6.899 4.586 1.00 0.00 C ATOM 770 CE LYS A 47 -8.129 6.084 5.531 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.745 6.292 6.955 1.00 0.00 N ATOM 0 H LYS A 47 -8.633 9.585 2.212 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.146 9.153 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.448 7.715 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.067 7.131 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.828 7.640 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.208 6.070 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.291 6.416 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.080 7.884 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.175 6.359 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.042 5.026 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.360 5.719 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.755 6.006 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.852 7.297 7.200 1.00 0.00 H new ATOM 785 N ILE A 48 -6.186 10.306 0.517 1.00 0.00 N ATOM 786 CA ILE A 48 -5.376 10.904 -0.537 1.00 0.00 C ATOM 787 C ILE A 48 -4.502 12.022 0.021 1.00 0.00 C ATOM 788 O ILE A 48 -3.295 12.059 -0.217 1.00 0.00 O ATOM 789 CB ILE A 48 -6.265 11.472 -1.662 1.00 0.00 C ATOM 790 CG1 ILE A 48 -7.143 10.369 -2.256 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.418 12.126 -2.745 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.370 9.328 -3.033 1.00 0.00 C ATOM 0 H ILE A 48 -7.192 10.371 0.361 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.741 10.118 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.913 12.237 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.688 9.877 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.886 10.822 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.068 12.519 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.839 12.941 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.741 11.387 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.059 8.579 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.847 9.806 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.646 8.847 -2.376 1.00 0.00 H new ATOM 804 N ALA A 49 -5.122 12.931 0.768 1.00 0.00 N ATOM 805 CA ALA A 49 -4.401 14.048 1.362 1.00 0.00 C ATOM 806 C ALA A 49 -3.319 13.542 2.307 1.00 0.00 C ATOM 807 O ALA A 49 -2.159 13.943 2.211 1.00 0.00 O ATOM 808 CB ALA A 49 -5.364 14.969 2.097 1.00 0.00 C ATOM 0 H ALA A 49 -6.121 12.915 0.975 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.922 14.615 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.810 15.799 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.104 15.356 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.869 14.412 2.886 1.00 0.00 H new ATOM 814 N GLU A 50 -3.707 12.652 3.212 1.00 0.00 N ATOM 815 CA GLU A 50 -2.770 12.078 4.169 1.00 0.00 C ATOM 816 C GLU A 50 -1.682 11.296 3.442 1.00 0.00 C ATOM 817 O GLU A 50 -0.507 11.366 3.800 1.00 0.00 O ATOM 818 CB GLU A 50 -3.510 11.165 5.152 1.00 0.00 C ATOM 819 CG GLU A 50 -2.586 10.337 6.035 1.00 0.00 C ATOM 820 CD GLU A 50 -2.895 10.491 7.511 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.090 10.593 7.860 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.943 10.510 8.319 1.00 0.00 O ATOM 0 H GLU A 50 -4.664 12.312 3.303 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.302 12.889 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.153 11.775 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.160 10.493 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.671 9.286 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.553 10.633 5.851 1.00 0.00 H new ATOM 829 N LEU A 51 -2.084 10.554 2.413 1.00 0.00 N ATOM 830 CA LEU A 51 -1.145 9.760 1.633 1.00 0.00 C ATOM 831 C LEU A 51 -0.043 10.640 1.056 1.00 0.00 C ATOM 832 O LEU A 51 1.141 10.334 1.187 1.00 0.00 O ATOM 833 CB LEU A 51 -1.878 9.033 0.503 1.00 0.00 C ATOM 834 CG LEU A 51 -0.981 8.266 -0.473 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.129 7.544 0.273 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.805 7.280 -1.285 1.00 0.00 C ATOM 0 H LEU A 51 -3.053 10.488 2.102 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.689 9.023 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.588 8.334 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.458 9.764 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.524 8.982 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.755 7.005 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.736 8.270 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.307 6.838 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.154 6.742 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.288 6.570 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.565 7.820 -1.850 1.00 0.00 H new ATOM 848 N LEU A 52 -0.441 11.739 0.420 1.00 0.00 N ATOM 849 CA LEU A 52 0.507 12.667 -0.170 1.00 0.00 C ATOM 850 C LEU A 52 1.526 13.138 0.857 1.00 0.00 C ATOM 851 O LEU A 52 2.732 13.085 0.625 1.00 0.00 O ATOM 852 CB LEU A 52 -0.241 13.834 -0.748 1.00 0.00 C ATOM 853 CG LEU A 52 -1.050 13.460 -1.971 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.848 14.641 -2.411 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.142 12.969 -3.088 1.00 0.00 C ATOM 0 H LEU A 52 -1.419 12.005 0.302 1.00 0.00 H new ATOM 0 HA LEU A 52 1.055 12.158 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.906 14.246 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.467 14.620 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.729 12.645 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.433 14.377 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.519 14.946 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.176 15.464 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.744 12.706 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.561 13.757 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.409 12.092 -2.750 1.00 0.00 H new ATOM 867 N THR A 53 1.025 13.580 2.005 1.00 0.00 N ATOM 868 CA THR A 53 1.885 14.046 3.085 1.00 0.00 C ATOM 869 C THR A 53 2.799 12.922 3.554 1.00 0.00 C ATOM 870 O THR A 53 3.940 13.158 3.954 1.00 0.00 O ATOM 871 CB THR A 53 1.043 14.560 4.254 1.00 0.00 C ATOM 872 OG1 THR A 53 0.161 15.582 3.827 1.00 0.00 O ATOM 873 CG2 THR A 53 1.874 15.115 5.391 1.00 0.00 C ATOM 0 H THR A 53 0.027 13.625 2.211 1.00 0.00 H new ATOM 0 HA THR A 53 2.498 14.865 2.709 1.00 0.00 H new ATOM 0 HB THR A 53 0.493 13.692 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.580 15.185 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.215 15.462 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.530 14.335 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.476 15.948 5.029 1.00 0.00 H new ATOM 881 N LYS A 54 2.289 11.695 3.494 1.00 0.00 N ATOM 882 CA LYS A 54 3.060 10.527 3.902 1.00 0.00 C ATOM 883 C LYS A 54 4.266 10.342 2.988 1.00 0.00 C ATOM 884 O LYS A 54 5.367 10.035 3.448 1.00 0.00 O ATOM 885 CB LYS A 54 2.178 9.274 3.881 1.00 0.00 C ATOM 886 CG LYS A 54 1.709 8.839 5.259 1.00 0.00 C ATOM 887 CD LYS A 54 2.758 7.995 5.965 1.00 0.00 C ATOM 888 CE LYS A 54 2.401 6.518 5.930 1.00 0.00 C ATOM 889 NZ LYS A 54 1.493 6.139 7.048 1.00 0.00 N ATOM 0 H LYS A 54 1.346 11.485 3.167 1.00 0.00 H new ATOM 0 HA LYS A 54 3.417 10.684 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.308 9.463 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.733 8.457 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.483 9.719 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.784 8.269 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.728 8.147 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.854 8.323 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.924 6.282 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.313 5.923 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.709 5.170 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.629 6.795 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.506 6.187 6.725 1.00 0.00 H new ATOM 903 N LEU A 55 4.051 10.544 1.691 1.00 0.00 N ATOM 904 CA LEU A 55 5.119 10.414 0.707 1.00 0.00 C ATOM 905 C LEU A 55 6.248 11.394 1.009 1.00 0.00 C ATOM 906 O LEU A 55 7.403 11.001 1.170 1.00 0.00 O ATOM 907 CB LEU A 55 4.574 10.673 -0.697 1.00 0.00 C ATOM 908 CG LEU A 55 3.457 9.729 -1.155 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.618 9.408 -2.628 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.448 8.445 -0.337 1.00 0.00 C ATOM 0 H LEU A 55 3.145 10.799 1.297 1.00 0.00 H new ATOM 0 HA LEU A 55 5.512 9.399 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.202 11.696 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.398 10.604 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 55 2.504 10.234 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.819 8.737 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.568 10.329 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.582 8.927 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.644 7.797 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.403 7.933 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.290 8.685 0.715 1.00 0.00 H new ATOM 922 N GLY A 56 5.895 12.673 1.084 1.00 0.00 N ATOM 923 CA GLY A 56 6.874 13.707 1.365 1.00 0.00 C ATOM 924 C GLY A 56 6.266 15.094 1.306 1.00 0.00 C ATOM 925 O GLY A 56 5.479 15.471 2.174 1.00 0.00 O ATOM 0 H GLY A 56 4.942 13.013 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.304 13.541 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.691 13.638 0.647 1.00 0.00 H new ATOM 929 N ARG A 57 6.623 15.852 0.274 1.00 0.00 N ATOM 930 CA ARG A 57 6.098 17.202 0.099 1.00 0.00 C ATOM 931 C ARG A 57 6.038 17.569 -1.378 1.00 0.00 C ATOM 932 O ARG A 57 6.179 18.734 -1.747 1.00 0.00 O ATOM 933 CB ARG A 57 6.952 18.216 0.861 1.00 0.00 C ATOM 934 CG ARG A 57 6.265 19.558 1.061 1.00 0.00 C ATOM 935 CD ARG A 57 7.092 20.481 1.943 1.00 0.00 C ATOM 936 NE ARG A 57 6.311 21.616 2.429 1.00 0.00 N ATOM 937 CZ ARG A 57 6.820 22.607 3.158 1.00 0.00 C ATOM 938 NH1 ARG A 57 8.106 22.607 3.486 1.00 0.00 N ATOM 939 NH2 ARG A 57 6.041 23.602 3.560 1.00 0.00 N ATOM 0 H ARG A 57 7.273 15.555 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 57 5.086 17.226 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.212 17.801 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.886 18.372 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.099 20.031 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.285 19.403 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.482 19.919 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.951 20.846 1.381 1.00 0.00 H new ATOM 0 HE ARG A 57 5.319 21.651 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.711 21.845 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.490 23.369 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.052 23.608 3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.431 24.361 4.119 1.00 0.00 H new ATOM 953 N ASP A 58 5.825 16.562 -2.215 1.00 0.00 N ATOM 954 CA ASP A 58 5.741 16.760 -3.654 1.00 0.00 C ATOM 955 C ASP A 58 4.384 16.285 -4.179 1.00 0.00 C ATOM 956 O ASP A 58 3.379 16.353 -3.473 1.00 0.00 O ATOM 957 CB ASP A 58 6.894 16.019 -4.344 1.00 0.00 C ATOM 958 CG ASP A 58 6.741 14.510 -4.280 1.00 0.00 C ATOM 959 OD1 ASP A 58 5.825 14.033 -3.578 1.00 0.00 O ATOM 960 OD2 ASP A 58 7.539 13.805 -4.933 1.00 0.00 O ATOM 0 H ASP A 58 5.707 15.593 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 58 5.830 17.823 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.949 16.331 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.836 16.305 -3.876 1.00 0.00 H new ATOM 965 N THR A 59 4.362 15.803 -5.418 1.00 0.00 N ATOM 966 CA THR A 59 3.131 15.315 -6.029 1.00 0.00 C ATOM 967 C THR A 59 3.272 13.850 -6.429 1.00 0.00 C ATOM 968 O THR A 59 4.369 13.292 -6.399 1.00 0.00 O ATOM 969 CB THR A 59 2.774 16.157 -7.254 1.00 0.00 C ATOM 970 OG1 THR A 59 1.646 15.619 -7.921 1.00 0.00 O ATOM 971 CG2 THR A 59 3.898 16.255 -8.263 1.00 0.00 C ATOM 0 H THR A 59 5.184 15.740 -6.019 1.00 0.00 H new ATOM 0 HA THR A 59 2.330 15.401 -5.295 1.00 0.00 H new ATOM 0 HB THR A 59 2.567 17.155 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.432 16.173 -8.701 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.577 16.866 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.769 16.712 -7.794 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.158 15.257 -8.616 1.00 0.00 H new ATOM 979 N GLN A 60 2.159 13.234 -6.813 1.00 0.00 N ATOM 980 CA GLN A 60 2.163 11.838 -7.228 1.00 0.00 C ATOM 981 C GLN A 60 2.207 11.734 -8.746 1.00 0.00 C ATOM 982 O GLN A 60 1.184 11.857 -9.421 1.00 0.00 O ATOM 983 CB GLN A 60 0.929 11.115 -6.694 1.00 0.00 C ATOM 984 CG GLN A 60 -0.365 11.889 -6.889 1.00 0.00 C ATOM 985 CD GLN A 60 -1.531 10.991 -7.254 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.571 10.417 -8.342 1.00 0.00 O ATOM 987 NE2 GLN A 60 -2.489 10.866 -6.343 1.00 0.00 N ATOM 0 H GLN A 60 1.243 13.681 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 60 3.053 11.364 -6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.842 10.148 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.067 10.917 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.601 12.431 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.225 12.633 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.415 11.360 -5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.299 10.276 -6.532 1.00 0.00 H new ATOM 996 N ILE A 61 3.399 11.505 -9.271 1.00 0.00 N ATOM 997 CA ILE A 61 3.599 11.385 -10.710 1.00 0.00 C ATOM 998 C ILE A 61 3.212 9.999 -11.207 1.00 0.00 C ATOM 999 O ILE A 61 4.057 9.112 -11.329 1.00 0.00 O ATOM 1000 CB ILE A 61 5.063 11.666 -11.101 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.014 10.834 -10.241 1.00 0.00 C ATOM 1002 CG2 ILE A 61 5.373 13.149 -10.962 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.209 10.302 -11.003 1.00 0.00 C ATOM 0 H ILE A 61 4.250 11.397 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 61 2.955 12.129 -11.179 1.00 0.00 H new ATOM 0 HB ILE A 61 5.205 11.381 -12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.366 11.444 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.464 9.996 -9.812 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.411 13.332 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.715 13.721 -11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.216 13.458 -9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.840 9.721 -10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.866 9.666 -11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.782 11.136 -11.409 1.00 0.00 H new ATOM 1015 N GLY A 62 1.928 9.820 -11.495 1.00 0.00 N ATOM 1016 CA GLY A 62 1.448 8.540 -11.980 1.00 0.00 C ATOM 1017 C GLY A 62 1.772 7.404 -11.032 1.00 0.00 C ATOM 1018 O GLY A 62 1.926 6.258 -11.456 1.00 0.00 O ATOM 0 H GLY A 62 1.211 10.539 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.369 8.591 -12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.892 8.334 -12.954 1.00 0.00 H new ATOM 1022 N LEU A 63 1.884 7.723 -9.745 1.00 0.00 N ATOM 1023 CA LEU A 63 2.193 6.718 -8.730 1.00 0.00 C ATOM 1024 C LEU A 63 1.314 5.481 -8.899 1.00 0.00 C ATOM 1025 O LEU A 63 0.213 5.559 -9.445 1.00 0.00 O ATOM 1026 CB LEU A 63 2.014 7.306 -7.327 1.00 0.00 C ATOM 1027 CG LEU A 63 3.314 7.564 -6.564 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.975 6.251 -6.177 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.261 8.414 -7.398 1.00 0.00 C ATOM 0 H LEU A 63 1.766 8.668 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 63 3.233 6.417 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.467 8.245 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.395 6.627 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 63 3.075 8.110 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.899 6.454 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.300 5.677 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.201 5.678 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.181 8.588 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.493 7.894 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.788 9.370 -7.625 1.00 0.00 H new ATOM 1041 N THR A 64 1.810 4.339 -8.434 1.00 0.00 N ATOM 1042 CA THR A 64 1.072 3.088 -8.545 1.00 0.00 C ATOM 1043 C THR A 64 0.659 2.555 -7.176 1.00 0.00 C ATOM 1044 O THR A 64 1.260 2.892 -6.154 1.00 0.00 O ATOM 1045 CB THR A 64 1.912 2.042 -9.277 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.034 1.667 -8.500 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.421 2.517 -10.621 1.00 0.00 C ATOM 0 H THR A 64 2.718 4.255 -7.978 1.00 0.00 H new ATOM 0 HA THR A 64 0.165 3.290 -9.115 1.00 0.00 H new ATOM 0 HB THR A 64 1.244 1.196 -9.439 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.558 0.996 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.010 1.727 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.576 2.767 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.045 3.400 -10.482 1.00 0.00 H new ATOM 1055 N MET A 65 -0.367 1.713 -7.171 1.00 0.00 N ATOM 1056 CA MET A 65 -0.867 1.118 -5.942 1.00 0.00 C ATOM 1057 C MET A 65 -0.789 -0.402 -6.013 1.00 0.00 C ATOM 1058 O MET A 65 -0.730 -0.976 -7.100 1.00 0.00 O ATOM 1059 CB MET A 65 -2.311 1.559 -5.687 1.00 0.00 C ATOM 1060 CG MET A 65 -2.425 2.945 -5.077 1.00 0.00 C ATOM 1061 SD MET A 65 -1.909 4.247 -6.212 1.00 0.00 S ATOM 1062 CE MET A 65 -3.356 4.372 -7.262 1.00 0.00 C ATOM 0 H MET A 65 -0.870 1.427 -8.011 1.00 0.00 H new ATOM 0 HA MET A 65 -0.243 1.460 -5.116 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.860 1.539 -6.629 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.790 0.839 -5.024 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.457 3.121 -4.774 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.815 2.992 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.048 4.368 -8.308 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.016 3.525 -7.075 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.885 5.299 -7.043 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.776 -1.080 -4.854 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.842 -0.448 -3.534 1.00 0.00 C ATOM 1074 C PRO A 66 0.513 0.060 -3.051 1.00 0.00 C ATOM 1075 O PRO A 66 1.556 -0.522 -3.354 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.336 -1.583 -2.620 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.561 -2.760 -3.514 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.709 -2.530 -4.726 1.00 0.00 C ATOM 0 HA PRO A 66 -1.486 0.431 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.600 -1.813 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.256 -1.300 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.284 -3.688 -3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.613 -2.846 -3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.312 -2.883 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.102 -3.039 -5.607 1.00 0.00 H new ATOM 1086 N GLN A 67 0.485 1.139 -2.275 1.00 0.00 N ATOM 1087 CA GLN A 67 1.703 1.720 -1.725 1.00 0.00 C ATOM 1088 C GLN A 67 1.821 1.387 -0.242 1.00 0.00 C ATOM 1089 O GLN A 67 0.904 1.642 0.535 1.00 0.00 O ATOM 1090 CB GLN A 67 1.710 3.236 -1.927 1.00 0.00 C ATOM 1091 CG GLN A 67 1.815 3.655 -3.385 1.00 0.00 C ATOM 1092 CD GLN A 67 3.037 4.508 -3.663 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.962 4.082 -4.354 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.046 5.722 -3.123 1.00 0.00 N ATOM 0 H GLN A 67 -0.370 1.629 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 67 2.558 1.296 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.798 3.655 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.546 3.664 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.848 2.765 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.919 4.209 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.257 6.034 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.842 6.342 -3.275 1.00 0.00 H new ATOM 1103 N VAL A 68 2.945 0.801 0.146 1.00 0.00 N ATOM 1104 CA VAL A 68 3.156 0.423 1.536 1.00 0.00 C ATOM 1105 C VAL A 68 3.968 1.474 2.287 1.00 0.00 C ATOM 1106 O VAL A 68 4.548 2.375 1.682 1.00 0.00 O ATOM 1107 CB VAL A 68 3.866 -0.944 1.648 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.646 -1.556 3.023 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.385 -1.892 0.558 1.00 0.00 C ATOM 0 H VAL A 68 3.721 0.578 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 68 2.168 0.349 1.991 1.00 0.00 H new ATOM 0 HB VAL A 68 4.935 -0.781 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.155 -2.518 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.046 -0.889 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.579 -1.700 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.898 -2.849 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.310 -2.045 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.602 -1.462 -0.420 1.00 0.00 H new ATOM 1119 N PHE A 69 4.004 1.347 3.612 1.00 0.00 N ATOM 1120 CA PHE A 69 4.744 2.283 4.451 1.00 0.00 C ATOM 1121 C PHE A 69 5.404 1.557 5.617 1.00 0.00 C ATOM 1122 O PHE A 69 4.839 0.625 6.188 1.00 0.00 O ATOM 1123 CB PHE A 69 3.810 3.370 4.975 1.00 0.00 C ATOM 1124 CG PHE A 69 3.412 4.352 3.920 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.203 5.453 3.653 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.251 4.168 3.189 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.844 6.358 2.674 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.884 5.069 2.210 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.681 6.167 1.951 1.00 0.00 C ATOM 0 H PHE A 69 3.529 0.605 4.126 1.00 0.00 H new ATOM 0 HA PHE A 69 5.524 2.744 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.915 2.905 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.300 3.900 5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.112 5.607 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.626 3.310 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.471 7.214 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.975 4.916 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.397 6.874 1.186 1.00 0.00 H new ATOM 1139 N ALA A 70 6.617 1.982 5.948 1.00 0.00 N ATOM 1140 CA ALA A 70 7.386 1.371 7.028 1.00 0.00 C ATOM 1141 C ALA A 70 6.611 1.348 8.345 1.00 0.00 C ATOM 1142 O ALA A 70 5.818 2.247 8.626 1.00 0.00 O ATOM 1143 CB ALA A 70 8.706 2.104 7.210 1.00 0.00 C ATOM 0 H ALA A 70 7.093 2.753 5.481 1.00 0.00 H new ATOM 0 HA ALA A 70 7.580 0.336 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.271 1.640 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.282 2.050 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.512 3.148 7.456 1.00 0.00 H new ATOM 1149 N PRO A 71 6.842 0.313 9.176 1.00 0.00 N ATOM 1150 CA PRO A 71 6.181 0.177 10.480 1.00 0.00 C ATOM 1151 C PRO A 71 6.378 1.414 11.346 1.00 0.00 C ATOM 1152 O PRO A 71 5.546 1.730 12.196 1.00 0.00 O ATOM 1153 CB PRO A 71 6.879 -1.036 11.105 1.00 0.00 C ATOM 1154 CG PRO A 71 7.380 -1.817 9.944 1.00 0.00 C ATOM 1155 CD PRO A 71 7.780 -0.797 8.918 1.00 0.00 C ATOM 0 HA PRO A 71 5.101 0.059 10.388 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.695 -0.730 11.760 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.188 -1.623 11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.227 -2.442 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.609 -2.482 9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.818 -0.486 9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.680 -1.183 7.904 1.00 0.00 H new ATOM 1163 N ASP A 72 7.485 2.113 11.119 1.00 0.00 N ATOM 1164 CA ASP A 72 7.800 3.323 11.871 1.00 0.00 C ATOM 1165 C ASP A 72 7.393 4.573 11.093 1.00 0.00 C ATOM 1166 O ASP A 72 7.194 5.638 11.675 1.00 0.00 O ATOM 1167 CB ASP A 72 9.295 3.373 12.189 1.00 0.00 C ATOM 1168 CG ASP A 72 10.153 3.373 10.939 1.00 0.00 C ATOM 1169 OD1 ASP A 72 10.203 4.416 10.253 1.00 0.00 O ATOM 1170 OD2 ASP A 72 10.774 2.329 10.644 1.00 0.00 O ATOM 0 H ASP A 72 8.182 1.861 10.418 1.00 0.00 H new ATOM 0 HA ASP A 72 7.235 3.298 12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.509 4.268 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.561 2.516 12.809 1.00 0.00 H new ATOM 1175 N GLY A 73 7.277 4.437 9.774 1.00 0.00 N ATOM 1176 CA GLY A 73 6.898 5.565 8.945 1.00 0.00 C ATOM 1177 C GLY A 73 7.916 5.860 7.860 1.00 0.00 C ATOM 1178 O GLY A 73 8.771 6.731 8.023 1.00 0.00 O ATOM 0 H GLY A 73 7.439 3.567 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.930 5.364 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.776 6.448 9.573 1.00 0.00 H new ATOM 1182 N SER A 74 7.828 5.132 6.751 1.00 0.00 N ATOM 1183 CA SER A 74 8.748 5.321 5.634 1.00 0.00 C ATOM 1184 C SER A 74 8.264 4.566 4.397 1.00 0.00 C ATOM 1185 O SER A 74 8.193 3.338 4.398 1.00 0.00 O ATOM 1186 CB SER A 74 10.156 4.851 6.015 1.00 0.00 C ATOM 1187 OG SER A 74 10.231 4.514 7.389 1.00 0.00 O ATOM 0 H SER A 74 7.128 4.405 6.602 1.00 0.00 H new ATOM 0 HA SER A 74 8.780 6.385 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.429 3.986 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.877 5.637 5.791 1.00 0.00 H new ATOM 0 HG SER A 74 11.140 4.216 7.604 1.00 0.00 H new ATOM 1193 N HIS A 75 7.932 5.309 3.344 1.00 0.00 N ATOM 1194 CA HIS A 75 7.455 4.711 2.102 1.00 0.00 C ATOM 1195 C HIS A 75 8.393 3.604 1.627 1.00 0.00 C ATOM 1196 O HIS A 75 9.557 3.856 1.314 1.00 0.00 O ATOM 1197 CB HIS A 75 7.321 5.779 1.016 1.00 0.00 C ATOM 1198 CG HIS A 75 6.452 5.365 -0.131 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.765 5.588 -1.453 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.254 4.725 -0.133 1.00 0.00 C ATOM 1201 CE1 HIS A 75 5.770 5.092 -2.202 1.00 0.00 C ATOM 1202 NE2 HIS A 75 4.829 4.556 -1.449 1.00 0.00 N ATOM 0 H HIS A 75 7.985 6.327 3.327 1.00 0.00 H new ATOM 0 HA HIS A 75 6.477 4.272 2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.913 6.687 1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.313 6.027 0.638 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.606 6.049 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.717 4.399 0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.742 5.127 -3.281 1.00 0.00 H new ATOM 1210 N ILE A 76 7.879 2.379 1.578 1.00 0.00 N ATOM 1211 CA ILE A 76 8.672 1.234 1.144 1.00 0.00 C ATOM 1212 C ILE A 76 8.585 1.045 -0.366 1.00 0.00 C ATOM 1213 O ILE A 76 9.580 0.737 -1.022 1.00 0.00 O ATOM 1214 CB ILE A 76 8.214 -0.067 1.835 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.151 0.126 3.351 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.146 -1.217 1.477 1.00 0.00 C ATOM 1217 CD1 ILE A 76 6.877 -0.409 3.970 1.00 0.00 C ATOM 0 H ILE A 76 6.917 2.154 1.833 1.00 0.00 H new ATOM 0 HA ILE A 76 9.704 1.444 1.426 1.00 0.00 H new ATOM 0 HB ILE A 76 7.214 -0.314 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.006 -0.371 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.239 1.188 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.808 -2.127 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.139 -1.368 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.158 -0.980 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.897 -0.240 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.019 0.105 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.797 -1.478 3.772 1.00 0.00 H new ATOM 1229 N GLY A 77 7.386 1.220 -0.912 1.00 0.00 N ATOM 1230 CA GLY A 77 7.195 1.056 -2.341 1.00 0.00 C ATOM 1231 C GLY A 77 6.082 0.087 -2.672 1.00 0.00 C ATOM 1232 O GLY A 77 5.115 -0.045 -1.921 1.00 0.00 O ATOM 0 H GLY A 77 6.545 1.472 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.973 2.025 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.124 0.704 -2.790 1.00 0.00 H new ATOM 1236 N GLY A 78 6.217 -0.581 -3.806 1.00 0.00 N ATOM 1237 CA GLY A 78 5.213 -1.538 -4.231 1.00 0.00 C ATOM 1238 C GLY A 78 5.527 -2.948 -3.770 1.00 0.00 C ATOM 1239 O GLY A 78 5.986 -3.152 -2.646 1.00 0.00 O ATOM 0 H GLY A 78 7.007 -0.478 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.241 -1.239 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.137 -1.522 -5.318 1.00 0.00 H new ATOM 1243 N PHE A 79 5.279 -3.924 -4.636 1.00 0.00 N ATOM 1244 CA PHE A 79 5.542 -5.321 -4.307 1.00 0.00 C ATOM 1245 C PHE A 79 7.035 -5.623 -4.374 1.00 0.00 C ATOM 1246 O PHE A 79 7.646 -6.002 -3.376 1.00 0.00 O ATOM 1247 CB PHE A 79 4.775 -6.247 -5.254 1.00 0.00 C ATOM 1248 CG PHE A 79 4.991 -7.706 -4.971 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.801 -8.215 -3.695 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.388 -8.571 -5.980 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.002 -9.558 -3.431 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.591 -9.914 -5.722 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.398 -10.407 -4.446 1.00 0.00 C ATOM 0 H PHE A 79 4.897 -3.775 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 79 5.200 -5.498 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.710 -6.025 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.077 -6.035 -6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.492 -7.555 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.540 -8.191 -6.979 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.850 -9.942 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.900 -10.577 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.557 -11.456 -4.242 1.00 0.00 H new ATOM 1263 N ASP A 80 7.619 -5.451 -5.557 1.00 0.00 N ATOM 1264 CA ASP A 80 9.043 -5.705 -5.754 1.00 0.00 C ATOM 1265 C ASP A 80 9.878 -4.929 -4.740 1.00 0.00 C ATOM 1266 O ASP A 80 10.835 -5.457 -4.172 1.00 0.00 O ATOM 1267 CB ASP A 80 9.461 -5.321 -7.174 1.00 0.00 C ATOM 1268 CG ASP A 80 10.873 -5.769 -7.502 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.110 -6.995 -7.547 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.740 -4.897 -7.712 1.00 0.00 O ATOM 0 H ASP A 80 7.128 -5.137 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 80 9.220 -6.770 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.767 -5.766 -7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.389 -4.240 -7.291 1.00 0.00 H new ATOM 1275 N GLN A 81 9.505 -3.672 -4.516 1.00 0.00 N ATOM 1276 CA GLN A 81 10.213 -2.823 -3.566 1.00 0.00 C ATOM 1277 C GLN A 81 10.187 -3.438 -2.174 1.00 0.00 C ATOM 1278 O GLN A 81 11.200 -3.471 -1.475 1.00 0.00 O ATOM 1279 CB GLN A 81 9.584 -1.431 -3.532 1.00 0.00 C ATOM 1280 CG GLN A 81 10.172 -0.470 -4.550 1.00 0.00 C ATOM 1281 CD GLN A 81 10.076 -0.994 -5.970 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.866 -1.841 -6.388 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.104 -0.490 -6.722 1.00 0.00 N ATOM 0 H GLN A 81 8.717 -3.220 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 81 11.250 -2.737 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.512 -1.522 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.708 -1.010 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.653 0.486 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.218 -0.283 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.471 0.210 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.990 -0.803 -7.686 1.00 0.00 H new ATOM 1292 N LEU A 82 9.018 -3.927 -1.779 1.00 0.00 N ATOM 1293 CA LEU A 82 8.850 -4.547 -0.473 1.00 0.00 C ATOM 1294 C LEU A 82 9.771 -5.744 -0.303 1.00 0.00 C ATOM 1295 O LEU A 82 10.480 -5.850 0.696 1.00 0.00 O ATOM 1296 CB LEU A 82 7.413 -4.960 -0.255 1.00 0.00 C ATOM 1297 CG LEU A 82 7.093 -5.237 1.204 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.198 -4.158 1.781 1.00 0.00 C ATOM 1299 CD2 LEU A 82 6.471 -6.600 1.335 1.00 0.00 C ATOM 0 H LEU A 82 8.171 -3.905 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 82 9.119 -3.804 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.754 -4.174 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.203 -5.853 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 82 8.019 -5.223 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.985 -4.382 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.700 -3.193 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.264 -4.122 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.242 -6.796 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.552 -6.638 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.167 -7.354 0.968 1.00 0.00 H new ATOM 1311 N ARG A 83 9.783 -6.636 -1.286 1.00 0.00 N ATOM 1312 CA ARG A 83 10.651 -7.808 -1.226 1.00 0.00 C ATOM 1313 C ARG A 83 12.081 -7.366 -0.946 1.00 0.00 C ATOM 1314 O ARG A 83 12.838 -8.057 -0.266 1.00 0.00 O ATOM 1315 CB ARG A 83 10.586 -8.595 -2.537 1.00 0.00 C ATOM 1316 CG ARG A 83 10.619 -10.102 -2.346 1.00 0.00 C ATOM 1317 CD ARG A 83 10.235 -10.833 -3.621 1.00 0.00 C ATOM 1318 NE ARG A 83 9.788 -12.199 -3.357 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.602 -13.188 -2.996 1.00 0.00 C ATOM 1320 NH1 ARG A 83 11.903 -12.967 -2.853 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.114 -14.401 -2.776 1.00 0.00 N ATOM 0 H ARG A 83 9.208 -6.573 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 83 10.311 -8.460 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.673 -8.325 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.423 -8.299 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.618 -10.409 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.936 -10.383 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.442 -10.284 -4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.090 -10.856 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 83 8.794 -12.407 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.283 -12.035 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.522 -13.729 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.115 -14.576 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.738 -15.159 -2.499 1.00 0.00 H new ATOM 1335 N GLU A 84 12.429 -6.184 -1.451 1.00 0.00 N ATOM 1336 CA GLU A 84 13.752 -5.622 -1.228 1.00 0.00 C ATOM 1337 C GLU A 84 13.839 -5.100 0.199 1.00 0.00 C ATOM 1338 O GLU A 84 14.894 -5.152 0.831 1.00 0.00 O ATOM 1339 CB GLU A 84 14.036 -4.495 -2.224 1.00 0.00 C ATOM 1340 CG GLU A 84 15.505 -4.110 -2.300 1.00 0.00 C ATOM 1341 CD GLU A 84 15.846 -3.360 -3.572 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.458 -3.830 -4.662 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.503 -2.301 -3.478 1.00 0.00 O ATOM 0 H GLU A 84 11.812 -5.601 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 84 14.501 -6.400 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.697 -4.801 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.452 -3.618 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.760 -3.492 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.116 -5.010 -2.238 1.00 0.00 H new ATOM 1350 N TYR A 85 12.706 -4.622 0.710 1.00 0.00 N ATOM 1351 CA TYR A 85 12.628 -4.120 2.071 1.00 0.00 C ATOM 1352 C TYR A 85 12.822 -5.273 3.046 1.00 0.00 C ATOM 1353 O TYR A 85 13.373 -5.105 4.134 1.00 0.00 O ATOM 1354 CB TYR A 85 11.267 -3.458 2.292 1.00 0.00 C ATOM 1355 CG TYR A 85 11.119 -2.758 3.622 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.636 -3.435 4.736 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.450 -1.417 3.762 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.486 -2.795 5.950 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.305 -0.769 4.973 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.823 -1.461 6.064 1.00 0.00 C ATOM 1361 OH TYR A 85 10.676 -0.819 7.272 1.00 0.00 O ATOM 0 H TYR A 85 11.827 -4.574 0.195 1.00 0.00 H new ATOM 0 HA TYR A 85 13.411 -3.380 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.095 -2.735 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.490 -4.217 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.374 -4.479 4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.827 -0.871 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.107 -3.335 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.568 0.274 5.065 1.00 0.00 H new ATOM 0 HH TYR A 85 10.958 0.115 7.183 1.00 0.00 H new ATOM 1371 N PHE A 86 12.365 -6.453 2.630 1.00 0.00 N ATOM 1372 CA PHE A 86 12.468 -7.661 3.431 1.00 0.00 C ATOM 1373 C PHE A 86 13.731 -8.451 3.093 1.00 0.00 C ATOM 1374 O PHE A 86 14.667 -8.512 3.891 1.00 0.00 O ATOM 1375 CB PHE A 86 11.225 -8.518 3.202 1.00 0.00 C ATOM 1376 CG PHE A 86 10.065 -8.077 4.039 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.128 -8.167 5.418 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.924 -7.553 3.456 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.076 -7.746 6.202 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.865 -7.132 4.237 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.942 -7.227 5.611 1.00 0.00 C ATOM 0 H PHE A 86 11.913 -6.593 1.726 1.00 0.00 H new ATOM 0 HA PHE A 86 12.534 -7.380 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.947 -8.475 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.458 -9.559 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.013 -8.572 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.861 -7.473 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.139 -7.822 7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.977 -6.729 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.116 -6.896 6.223 1.00 0.00 H new ATOM 1391 N LYS A 87 13.753 -9.050 1.908 1.00 0.00 N ATOM 1392 CA LYS A 87 14.902 -9.834 1.468 1.00 0.00 C ATOM 1393 C LYS A 87 15.969 -8.937 0.851 1.00 0.00 C ATOM 1394 O LYS A 87 17.102 -9.422 0.644 1.00 0.00 O ATOM 1395 CB LYS A 87 14.465 -10.896 0.458 1.00 0.00 C ATOM 1396 CG LYS A 87 13.496 -11.918 1.031 1.00 0.00 C ATOM 1397 CD LYS A 87 14.226 -13.137 1.572 1.00 0.00 C ATOM 1398 CE LYS A 87 14.288 -14.252 0.542 1.00 0.00 C ATOM 1399 NZ LYS A 87 14.212 -15.598 1.175 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.664 -7.757 0.578 1.00 0.00 O ATOM 0 H LYS A 87 12.988 -9.008 1.234 1.00 0.00 H new ATOM 0 HA LYS A 87 15.329 -10.327 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.998 -10.404 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.348 -11.414 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.911 -11.459 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.793 -12.227 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.237 -12.856 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.721 -13.496 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.468 -14.137 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.214 -14.170 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.258 -16.331 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.009 -15.718 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.317 -15.686 1.696 1.00 0.00 H new