USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot -154:sc= -0.858 USER MOD Set 1.2: A 59 TYR OH : rot -6:sc= -0.061 USER MOD Set 2.1: A 1 MET N :NH3+ -134:sc= -0.333 (180deg=-2.66!) USER MOD Set 2.2: A 3 TYR OH : rot -19:sc= 0.417 USER MOD Single : A 1 MET CE :methyl -156:sc= -2.71! (180deg=-4.72!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.107 K(o=-0.11,f=-3.8!) USER MOD Single : A 14 HIS : no HD1:sc=-0.00945 X(o=-0.0095,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -174:sc= 0 (180deg=-0.0321) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 31 TYR OH : rot -15:sc= 0.168 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0.489 (180deg=0.331) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 46 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.53) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.17) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 1.2 (180deg=-0.325) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0122 K(o=-0.012,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.721 2.066 2.565 1.00 0.00 N ATOM 2 CA MET A 1 13.156 3.417 2.743 1.00 0.00 C ATOM 3 C MET A 1 11.664 3.248 2.995 1.00 0.00 C ATOM 4 O MET A 1 11.215 2.114 3.156 1.00 0.00 O ATOM 5 CB MET A 1 13.479 4.344 1.557 1.00 0.00 C ATOM 6 CG MET A 1 14.874 4.964 1.686 1.00 0.00 C ATOM 7 SD MET A 1 16.158 4.301 0.596 1.00 0.00 S ATOM 8 CE MET A 1 16.514 2.680 1.317 1.00 0.00 C ATOM 0 H1 MET A 1 14.594 1.978 3.124 1.00 0.00 H new ATOM 0 H2 MET A 1 13.032 1.356 2.886 1.00 0.00 H new ATOM 0 H3 MET A 1 13.937 1.910 1.560 1.00 0.00 H new ATOM 0 HA MET A 1 13.612 3.917 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.416 3.780 0.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.732 5.136 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.790 6.035 1.501 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.207 4.844 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.520 2.370 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.443 2.741 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.793 1.951 0.947 1.00 0.00 H new ATOM 18 N ARG A 2 10.871 4.322 3.059 1.00 0.00 N ATOM 19 CA ARG A 2 9.418 4.196 3.073 1.00 0.00 C ATOM 20 C ARG A 2 8.849 4.993 1.906 1.00 0.00 C ATOM 21 O ARG A 2 9.522 5.905 1.422 1.00 0.00 O ATOM 22 CB ARG A 2 8.856 4.531 4.473 1.00 0.00 C ATOM 23 CG ARG A 2 8.760 6.031 4.785 1.00 0.00 C ATOM 24 CD ARG A 2 8.895 6.393 6.267 1.00 0.00 C ATOM 25 NE ARG A 2 7.727 6.001 7.074 1.00 0.00 N ATOM 26 CZ ARG A 2 6.605 6.709 7.261 1.00 0.00 C ATOM 27 NH1 ARG A 2 6.442 7.885 6.660 1.00 0.00 N ATOM 28 NH2 ARG A 2 5.633 6.221 8.020 1.00 0.00 N ATOM 0 H ARG A 2 11.213 5.282 3.102 1.00 0.00 H new ATOM 0 HA ARG A 2 9.096 3.167 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.863 4.090 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.487 4.057 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.537 6.554 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.802 6.402 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.785 5.911 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.046 7.469 6.358 1.00 0.00 H new ATOM 0 HE ARG A 2 7.778 5.095 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.174 8.253 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.585 8.418 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.740 5.307 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.778 6.759 8.163 1.00 0.00 H new ATOM 42 N TYR A 3 7.645 4.639 1.448 1.00 0.00 N ATOM 43 CA TYR A 3 7.034 5.261 0.275 1.00 0.00 C ATOM 44 C TYR A 3 5.537 5.388 0.494 1.00 0.00 C ATOM 45 O TYR A 3 4.865 4.387 0.771 1.00 0.00 O ATOM 46 CB TYR A 3 7.295 4.488 -1.030 1.00 0.00 C ATOM 47 CG TYR A 3 8.655 3.836 -1.108 1.00 0.00 C ATOM 48 CD1 TYR A 3 8.810 2.581 -0.498 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.750 4.485 -1.714 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.072 1.984 -0.433 1.00 0.00 C ATOM 51 CE2 TYR A 3 11.019 3.859 -1.690 1.00 0.00 C ATOM 52 CZ TYR A 3 11.181 2.613 -1.029 1.00 0.00 C ATOM 53 OH TYR A 3 12.377 1.983 -0.886 1.00 0.00 O ATOM 0 H TYR A 3 7.070 3.916 1.880 1.00 0.00 H new ATOM 0 HA TYR A 3 7.497 6.241 0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.530 3.719 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.185 5.172 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.953 2.076 -0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.622 5.446 -2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.196 1.039 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.863 4.328 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 3 12.326 1.350 -0.139 1.00 0.00 H new ATOM 63 N VAL A 4 5.018 6.606 0.362 1.00 0.00 N ATOM 64 CA VAL A 4 3.613 6.924 0.492 1.00 0.00 C ATOM 65 C VAL A 4 2.945 6.823 -0.884 1.00 0.00 C ATOM 66 O VAL A 4 3.170 7.651 -1.766 1.00 0.00 O ATOM 67 CB VAL A 4 3.416 8.257 1.240 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.949 9.523 0.553 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.928 8.398 1.567 1.00 0.00 C ATOM 0 H VAL A 4 5.592 7.423 0.154 1.00 0.00 H new ATOM 0 HA VAL A 4 3.101 6.197 1.122 1.00 0.00 H new ATOM 0 HB VAL A 4 4.035 8.193 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.748 10.390 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.024 9.428 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.454 9.650 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.759 9.335 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.351 8.396 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.613 7.564 2.194 1.00 0.00 H new ATOM 79 N LEU A 5 2.155 5.773 -1.092 1.00 0.00 N ATOM 80 CA LEU A 5 1.407 5.491 -2.329 1.00 0.00 C ATOM 81 C LEU A 5 0.155 6.369 -2.376 1.00 0.00 C ATOM 82 O LEU A 5 -0.260 6.902 -1.342 1.00 0.00 O ATOM 83 CB LEU A 5 1.013 4.007 -2.346 1.00 0.00 C ATOM 84 CG LEU A 5 2.200 3.057 -2.115 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.765 1.589 -2.150 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.417 3.258 -3.014 1.00 0.00 C ATOM 0 H LEU A 5 2.008 5.061 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 5 2.025 5.710 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.261 3.830 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.551 3.772 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 5 2.539 3.331 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.631 0.949 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.025 1.410 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.328 1.362 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.185 2.530 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.126 3.123 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.810 4.265 -2.874 1.00 0.00 H new ATOM 98 N TYR A 6 -0.476 6.492 -3.544 1.00 0.00 N ATOM 99 CA TYR A 6 -1.759 7.156 -3.735 1.00 0.00 C ATOM 100 C TYR A 6 -2.679 6.215 -4.499 1.00 0.00 C ATOM 101 O TYR A 6 -2.626 6.144 -5.712 1.00 0.00 O ATOM 102 CB TYR A 6 -1.613 8.515 -4.434 1.00 0.00 C ATOM 103 CG TYR A 6 -2.912 9.305 -4.524 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.656 9.534 -3.352 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.379 9.830 -5.749 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.865 10.252 -3.383 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.528 10.642 -5.774 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.266 10.873 -4.590 1.00 0.00 C ATOM 109 OH TYR A 6 -6.361 11.685 -4.618 1.00 0.00 O ATOM 0 H TYR A 6 -0.092 6.118 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.196 7.378 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.873 9.110 -3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.226 8.355 -5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.292 9.151 -2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.854 9.608 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.479 10.328 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.848 11.091 -6.703 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.491 12.028 -5.527 1.00 0.00 H new ATOM 119 N VAL A 7 -3.473 5.455 -3.782 1.00 0.00 N ATOM 120 CA VAL A 7 -4.475 4.425 -4.100 1.00 0.00 C ATOM 121 C VAL A 7 -5.874 4.914 -3.739 1.00 0.00 C ATOM 122 O VAL A 7 -6.348 4.657 -2.637 1.00 0.00 O ATOM 123 CB VAL A 7 -4.016 3.010 -3.620 1.00 0.00 C ATOM 124 CG1 VAL A 7 -3.266 3.167 -2.329 1.00 0.00 C ATOM 125 CG2 VAL A 7 -5.069 1.897 -3.762 1.00 0.00 C ATOM 0 H VAL A 7 -3.430 5.558 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.556 4.262 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.295 2.578 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.937 2.189 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.398 3.806 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.918 3.620 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.654 0.955 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.951 2.153 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.349 1.793 -4.810 1.00 0.00 H new ATOM 135 N PRO A 8 -6.574 5.655 -4.602 1.00 0.00 N ATOM 136 CA PRO A 8 -7.915 6.125 -4.279 1.00 0.00 C ATOM 137 C PRO A 8 -8.948 5.005 -4.054 1.00 0.00 C ATOM 138 O PRO A 8 -9.997 5.288 -3.464 1.00 0.00 O ATOM 139 CB PRO A 8 -8.314 7.079 -5.402 1.00 0.00 C ATOM 140 CG PRO A 8 -7.352 6.782 -6.544 1.00 0.00 C ATOM 141 CD PRO A 8 -6.116 6.184 -5.880 1.00 0.00 C ATOM 0 HA PRO A 8 -7.901 6.631 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.348 6.917 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.235 8.118 -5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.791 6.085 -7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.103 7.689 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.682 5.397 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.344 6.940 -5.737 1.00 0.00 H new ATOM 149 N ASP A 9 -8.638 3.756 -4.438 1.00 0.00 N ATOM 150 CA ASP A 9 -9.523 2.600 -4.261 1.00 0.00 C ATOM 151 C ASP A 9 -9.549 2.104 -2.820 1.00 0.00 C ATOM 152 O ASP A 9 -10.390 1.280 -2.458 1.00 0.00 O ATOM 153 CB ASP A 9 -9.113 1.444 -5.191 1.00 0.00 C ATOM 154 CG ASP A 9 -9.512 1.746 -6.630 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.734 1.800 -6.891 1.00 0.00 O ATOM 156 OD2 ASP A 9 -8.609 2.022 -7.455 1.00 0.00 O ATOM 0 H ASP A 9 -7.752 3.521 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.526 2.939 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.036 1.287 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.588 0.520 -4.862 1.00 0.00 H new ATOM 161 N ILE A 10 -8.676 2.615 -1.948 1.00 0.00 N ATOM 162 CA ILE A 10 -8.759 2.341 -0.515 1.00 0.00 C ATOM 163 C ILE A 10 -9.804 3.274 0.125 1.00 0.00 C ATOM 164 O ILE A 10 -9.660 3.660 1.282 1.00 0.00 O ATOM 165 CB ILE A 10 -7.375 2.395 0.159 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.220 1.940 -0.781 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.395 1.619 1.503 1.00 0.00 C ATOM 168 CD1 ILE A 10 -4.892 1.728 -0.106 1.00 0.00 C ATOM 0 H ILE A 10 -7.901 3.223 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.101 1.318 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.161 3.440 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.514 1.011 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.096 2.686 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.409 1.667 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.132 2.066 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.658 0.578 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.155 1.413 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.567 2.659 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.991 0.958 0.659 1.00 0.00 H new ATOM 180 N SER A 11 -10.854 3.659 -0.610 1.00 0.00 N ATOM 181 CA SER A 11 -11.885 4.558 -0.108 1.00 0.00 C ATOM 182 C SER A 11 -12.634 3.972 1.094 1.00 0.00 C ATOM 183 O SER A 11 -13.231 4.721 1.865 1.00 0.00 O ATOM 184 CB SER A 11 -12.873 4.861 -1.240 1.00 0.00 C ATOM 185 OG SER A 11 -13.641 3.713 -1.561 1.00 0.00 O ATOM 0 H SER A 11 -11.008 3.352 -1.571 1.00 0.00 H new ATOM 0 HA SER A 11 -11.399 5.472 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.535 5.675 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.329 5.198 -2.122 1.00 0.00 H new ATOM 0 HG SER A 11 -14.266 3.929 -2.284 1.00 0.00 H new ATOM 191 N CYS A 12 -12.637 2.641 1.235 1.00 0.00 N ATOM 192 CA CYS A 12 -13.496 1.911 2.156 1.00 0.00 C ATOM 193 C CYS A 12 -12.661 1.081 3.136 1.00 0.00 C ATOM 194 O CYS A 12 -11.533 0.670 2.861 1.00 0.00 O ATOM 195 CB CYS A 12 -14.447 1.027 1.330 1.00 0.00 C ATOM 196 SG CYS A 12 -16.138 1.095 1.969 1.00 0.00 S ATOM 0 H CYS A 12 -12.023 2.032 0.694 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.082 2.607 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.437 1.353 0.290 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.092 -0.004 1.345 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.907 0.338 1.243 1.00 0.00 H new ATOM 202 N ASN A 13 -13.244 0.763 4.288 1.00 0.00 N ATOM 203 CA ASN A 13 -12.571 0.054 5.380 1.00 0.00 C ATOM 204 C ASN A 13 -12.256 -1.412 5.067 1.00 0.00 C ATOM 205 O ASN A 13 -11.246 -1.929 5.550 1.00 0.00 O ATOM 206 CB ASN A 13 -13.426 0.149 6.650 1.00 0.00 C ATOM 207 CG ASN A 13 -14.721 -0.659 6.571 1.00 0.00 C ATOM 208 OD1 ASN A 13 -15.286 -0.870 5.501 1.00 0.00 O ATOM 209 ND2 ASN A 13 -15.221 -1.121 7.697 1.00 0.00 N ATOM 0 H ASN A 13 -14.216 0.994 4.496 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.607 0.543 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.840 -0.200 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.670 1.195 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.087 -1.661 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.743 -0.940 8.580 1.00 0.00 H new ATOM 216 N HIS A 14 -13.070 -2.085 4.248 1.00 0.00 N ATOM 217 CA HIS A 14 -12.740 -3.411 3.741 1.00 0.00 C ATOM 218 C HIS A 14 -11.555 -3.318 2.789 1.00 0.00 C ATOM 219 O HIS A 14 -10.688 -4.194 2.821 1.00 0.00 O ATOM 220 CB HIS A 14 -13.944 -4.061 3.048 1.00 0.00 C ATOM 221 CG HIS A 14 -13.672 -5.492 2.643 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.702 -6.012 1.366 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.294 -6.500 3.488 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.349 -7.306 1.442 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.094 -7.654 2.720 1.00 0.00 N ATOM 0 H HIS A 14 -13.968 -1.726 3.923 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.470 -4.045 4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.804 -4.033 3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.209 -3.480 2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.172 -6.420 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.279 -7.975 0.597 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.812 -8.574 3.059 1.00 0.00 H new ATOM 233 N CYS A 15 -11.480 -2.239 2.000 1.00 0.00 N ATOM 234 CA CYS A 15 -10.410 -2.044 1.044 1.00 0.00 C ATOM 235 C CYS A 15 -9.052 -2.139 1.726 1.00 0.00 C ATOM 236 O CYS A 15 -8.150 -2.776 1.200 1.00 0.00 O ATOM 237 CB CYS A 15 -10.553 -0.726 0.289 1.00 0.00 C ATOM 238 SG CYS A 15 -12.191 -0.613 -0.480 1.00 0.00 S ATOM 0 H CYS A 15 -12.165 -1.483 2.015 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.481 -2.845 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.407 0.110 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.779 -0.652 -0.475 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.131 0.171 -1.515 1.00 0.00 H new ATOM 244 N LYS A 16 -8.905 -1.571 2.928 1.00 0.00 N ATOM 245 CA LYS A 16 -7.672 -1.678 3.706 1.00 0.00 C ATOM 246 C LYS A 16 -7.178 -3.113 3.823 1.00 0.00 C ATOM 247 O LYS A 16 -6.015 -3.352 3.509 1.00 0.00 O ATOM 248 CB LYS A 16 -7.848 -1.003 5.069 1.00 0.00 C ATOM 249 CG LYS A 16 -6.751 -1.328 6.097 1.00 0.00 C ATOM 250 CD LYS A 16 -6.690 -0.256 7.195 1.00 0.00 C ATOM 251 CE LYS A 16 -6.363 -0.833 8.578 1.00 0.00 C ATOM 252 NZ LYS A 16 -7.595 -1.289 9.252 1.00 0.00 N ATOM 0 H LYS A 16 -9.636 -1.027 3.385 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.887 -1.147 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.880 0.077 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.812 -1.298 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.945 -2.302 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.786 -1.395 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.937 0.486 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.647 0.264 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.668 -1.666 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.867 -0.077 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.356 -1.677 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.246 -0.486 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.052 -2.026 8.678 1.00 0.00 H new ATOM 266 N MET A 17 -8.021 -4.066 4.231 1.00 0.00 N ATOM 267 CA MET A 17 -7.576 -5.449 4.396 1.00 0.00 C ATOM 268 C MET A 17 -7.074 -6.065 3.089 1.00 0.00 C ATOM 269 O MET A 17 -6.215 -6.940 3.158 1.00 0.00 O ATOM 270 CB MET A 17 -8.659 -6.332 5.021 1.00 0.00 C ATOM 271 CG MET A 17 -8.660 -6.241 6.551 1.00 0.00 C ATOM 272 SD MET A 17 -9.576 -7.563 7.400 1.00 0.00 S ATOM 273 CE MET A 17 -11.222 -7.353 6.672 1.00 0.00 C ATOM 0 H MET A 17 -9.004 -3.906 4.451 1.00 0.00 H new ATOM 0 HA MET A 17 -6.733 -5.407 5.085 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.635 -6.034 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.502 -7.368 4.719 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.628 -6.252 6.901 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.085 -5.280 6.842 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.927 -8.021 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.548 -6.321 6.801 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.183 -7.591 5.609 1.00 0.00 H new ATOM 283 N ARG A 18 -7.537 -5.600 1.918 1.00 0.00 N ATOM 284 CA ARG A 18 -7.060 -6.074 0.618 1.00 0.00 C ATOM 285 C ARG A 18 -5.550 -5.859 0.554 1.00 0.00 C ATOM 286 O ARG A 18 -4.790 -6.795 0.296 1.00 0.00 O ATOM 287 CB ARG A 18 -7.825 -5.404 -0.535 1.00 0.00 C ATOM 288 CG ARG A 18 -9.343 -5.546 -0.353 1.00 0.00 C ATOM 289 CD ARG A 18 -10.075 -5.831 -1.659 1.00 0.00 C ATOM 290 NE ARG A 18 -10.370 -7.252 -1.843 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.939 -7.780 -2.929 1.00 0.00 C ATOM 292 NH1 ARG A 18 -11.606 -7.035 -3.808 1.00 0.00 N ATOM 293 NH2 ARG A 18 -10.848 -9.087 -3.126 1.00 0.00 N ATOM 0 H ARG A 18 -8.257 -4.881 1.851 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.256 -7.140 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.560 -4.348 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.526 -5.853 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.545 -6.351 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.738 -4.630 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.006 -5.265 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.470 -5.479 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.122 -7.887 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.694 -6.029 -3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.029 -7.470 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.350 -9.671 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.276 -9.510 -3.950 1.00 0.00 H new ATOM 307 N ILE A 19 -5.132 -4.634 0.889 1.00 0.00 N ATOM 308 CA ILE A 19 -3.743 -4.236 1.017 1.00 0.00 C ATOM 309 C ILE A 19 -3.099 -5.005 2.166 1.00 0.00 C ATOM 310 O ILE A 19 -2.161 -5.749 1.909 1.00 0.00 O ATOM 311 CB ILE A 19 -3.579 -2.708 1.159 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.118 -1.968 -0.077 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.092 -2.350 1.296 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.606 -1.661 0.007 1.00 0.00 C ATOM 0 H ILE A 19 -5.781 -3.872 1.084 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.221 -4.493 0.096 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.140 -2.406 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.568 -1.035 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.928 -2.571 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.986 -1.270 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.680 -2.838 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.553 -2.687 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.921 -1.139 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.165 -2.592 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.799 -1.032 0.876 1.00 0.00 H new ATOM 326 N SER A 20 -3.515 -4.826 3.427 1.00 0.00 N ATOM 327 CA SER A 20 -2.711 -5.266 4.550 1.00 0.00 C ATOM 328 C SER A 20 -2.413 -6.751 4.522 1.00 0.00 C ATOM 329 O SER A 20 -1.306 -7.143 4.880 1.00 0.00 O ATOM 330 CB SER A 20 -3.404 -4.981 5.867 1.00 0.00 C ATOM 331 OG SER A 20 -4.156 -3.780 5.875 1.00 0.00 O ATOM 0 H SER A 20 -4.397 -4.383 3.683 1.00 0.00 H new ATOM 0 HA SER A 20 -1.779 -4.707 4.463 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.066 -5.814 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.655 -4.934 6.657 1.00 0.00 H new ATOM 0 HG SER A 20 -4.575 -3.662 6.753 1.00 0.00 H new ATOM 337 N LYS A 21 -3.380 -7.570 4.097 1.00 0.00 N ATOM 338 CA LYS A 21 -3.162 -9.000 3.981 1.00 0.00 C ATOM 339 C LYS A 21 -1.963 -9.246 3.060 1.00 0.00 C ATOM 340 O LYS A 21 -1.014 -9.930 3.432 1.00 0.00 O ATOM 341 CB LYS A 21 -4.429 -9.671 3.419 1.00 0.00 C ATOM 342 CG LYS A 21 -5.513 -9.914 4.481 1.00 0.00 C ATOM 343 CD LYS A 21 -5.284 -11.268 5.165 1.00 0.00 C ATOM 344 CE LYS A 21 -6.267 -11.498 6.311 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.035 -12.796 6.982 1.00 0.00 N ATOM 0 H LYS A 21 -4.315 -7.261 3.831 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.952 -9.430 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.841 -9.046 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.156 -10.623 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.493 -9.115 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.499 -9.894 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.387 -12.068 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.264 -11.315 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.173 -10.691 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.287 -11.464 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.722 -12.915 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.149 -13.568 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.070 -12.819 7.370 1.00 0.00 H new ATOM 359 N ALA A 22 -2.011 -8.622 1.883 1.00 0.00 N ATOM 360 CA ALA A 22 -0.987 -8.652 0.854 1.00 0.00 C ATOM 361 C ALA A 22 0.325 -7.984 1.266 1.00 0.00 C ATOM 362 O ALA A 22 1.307 -8.126 0.543 1.00 0.00 O ATOM 363 CB ALA A 22 -1.540 -7.964 -0.390 1.00 0.00 C ATOM 0 H ALA A 22 -2.813 -8.052 1.613 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.746 -9.698 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.786 -7.975 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.430 -8.492 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.799 -6.933 -0.150 1.00 0.00 H new ATOM 369 N LEU A 23 0.380 -7.246 2.380 1.00 0.00 N ATOM 370 CA LEU A 23 1.625 -6.682 2.876 1.00 0.00 C ATOM 371 C LEU A 23 2.247 -7.610 3.911 1.00 0.00 C ATOM 372 O LEU A 23 3.452 -7.839 3.864 1.00 0.00 O ATOM 373 CB LEU A 23 1.377 -5.295 3.470 1.00 0.00 C ATOM 374 CG LEU A 23 0.938 -4.233 2.452 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.774 -2.915 3.202 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.921 -4.040 1.292 1.00 0.00 C ATOM 0 H LEU A 23 -0.434 -7.028 2.954 1.00 0.00 H new ATOM 0 HA LEU A 23 2.323 -6.579 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.613 -5.377 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.290 -4.955 3.959 1.00 0.00 H new ATOM 0 HG LEU A 23 0.006 -4.572 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.462 -2.137 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.019 -3.030 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.724 -2.635 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.541 -3.274 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.890 -3.730 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.033 -4.979 0.750 1.00 0.00 H new ATOM 388 N GLU A 24 1.455 -8.145 4.844 1.00 0.00 N ATOM 389 CA GLU A 24 1.975 -9.049 5.867 1.00 0.00 C ATOM 390 C GLU A 24 2.582 -10.298 5.217 1.00 0.00 C ATOM 391 O GLU A 24 3.641 -10.757 5.648 1.00 0.00 O ATOM 392 CB GLU A 24 0.887 -9.407 6.893 1.00 0.00 C ATOM 393 CG GLU A 24 0.516 -8.186 7.755 1.00 0.00 C ATOM 394 CD GLU A 24 -0.405 -8.514 8.938 1.00 0.00 C ATOM 395 OE1 GLU A 24 -1.139 -9.529 8.931 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.450 -7.718 9.904 1.00 0.00 O ATOM 0 H GLU A 24 0.453 -7.967 4.910 1.00 0.00 H new ATOM 0 HA GLU A 24 2.770 -8.539 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.001 -9.773 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.239 -10.215 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.431 -7.731 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.029 -7.443 7.124 1.00 0.00 H new ATOM 403 N GLU A 25 1.977 -10.814 4.142 1.00 0.00 N ATOM 404 CA GLU A 25 2.548 -11.946 3.410 1.00 0.00 C ATOM 405 C GLU A 25 3.830 -11.573 2.699 1.00 0.00 C ATOM 406 O GLU A 25 4.776 -12.361 2.672 1.00 0.00 O ATOM 407 CB GLU A 25 1.565 -12.517 2.386 1.00 0.00 C ATOM 408 CG GLU A 25 0.926 -11.545 1.386 1.00 0.00 C ATOM 409 CD GLU A 25 1.170 -11.882 -0.082 1.00 0.00 C ATOM 410 OE1 GLU A 25 2.336 -12.119 -0.472 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.197 -11.778 -0.877 1.00 0.00 O ATOM 0 H GLU A 25 1.096 -10.467 3.762 1.00 0.00 H new ATOM 0 HA GLU A 25 2.765 -12.706 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.085 -13.288 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.762 -13.011 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.149 -11.518 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.307 -10.543 1.582 1.00 0.00 H new ATOM 418 N LEU A 26 3.866 -10.358 2.162 1.00 0.00 N ATOM 419 CA LEU A 26 4.910 -9.861 1.296 1.00 0.00 C ATOM 420 C LEU A 26 6.251 -9.735 2.039 1.00 0.00 C ATOM 421 O LEU A 26 7.291 -9.528 1.418 1.00 0.00 O ATOM 422 CB LEU A 26 4.393 -8.522 0.741 1.00 0.00 C ATOM 423 CG LEU A 26 5.377 -7.572 0.057 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.947 -8.096 -1.261 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.664 -6.248 -0.239 1.00 0.00 C ATOM 0 H LEU A 26 3.133 -9.669 2.331 1.00 0.00 H new ATOM 0 HA LEU A 26 5.122 -10.550 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.601 -8.746 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.932 -7.980 1.567 1.00 0.00 H new ATOM 0 HG LEU A 26 6.213 -7.458 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.635 -7.360 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.480 -9.030 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.134 -8.272 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.357 -5.563 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.813 -6.432 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.314 -5.807 0.694 1.00 0.00 H new ATOM 437 N GLY A 27 6.244 -9.874 3.367 1.00 0.00 N ATOM 438 CA GLY A 27 7.448 -9.830 4.177 1.00 0.00 C ATOM 439 C GLY A 27 7.864 -8.390 4.457 1.00 0.00 C ATOM 440 O GLY A 27 9.054 -8.106 4.617 1.00 0.00 O ATOM 0 H GLY A 27 5.392 -10.021 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.277 -10.353 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.255 -10.353 3.664 1.00 0.00 H new ATOM 444 N VAL A 28 6.893 -7.472 4.486 1.00 0.00 N ATOM 445 CA VAL A 28 7.068 -6.129 5.019 1.00 0.00 C ATOM 446 C VAL A 28 7.397 -6.235 6.521 1.00 0.00 C ATOM 447 O VAL A 28 7.152 -7.273 7.153 1.00 0.00 O ATOM 448 CB VAL A 28 5.766 -5.342 4.741 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.651 -5.743 5.711 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.977 -3.825 4.776 1.00 0.00 C ATOM 0 H VAL A 28 5.952 -7.649 4.134 1.00 0.00 H new ATOM 0 HA VAL A 28 7.894 -5.597 4.546 1.00 0.00 H new ATOM 0 HB VAL A 28 5.462 -5.608 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.751 -5.171 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.441 -6.807 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.967 -5.537 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.032 -3.321 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.342 -3.531 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.708 -3.542 4.018 1.00 0.00 H new ATOM 460 N LYS A 29 7.886 -5.147 7.124 1.00 0.00 N ATOM 461 CA LYS A 29 8.050 -5.069 8.577 1.00 0.00 C ATOM 462 C LYS A 29 7.624 -3.738 9.187 1.00 0.00 C ATOM 463 O LYS A 29 7.618 -3.610 10.411 1.00 0.00 O ATOM 464 CB LYS A 29 9.497 -5.431 8.939 1.00 0.00 C ATOM 465 CG LYS A 29 9.592 -6.665 9.833 1.00 0.00 C ATOM 466 CD LYS A 29 9.324 -6.395 11.320 1.00 0.00 C ATOM 467 CE LYS A 29 7.848 -6.460 11.723 1.00 0.00 C ATOM 468 NZ LYS A 29 7.708 -6.129 13.153 1.00 0.00 N ATOM 0 H LYS A 29 8.176 -4.306 6.625 1.00 0.00 H new ATOM 0 HA LYS A 29 7.366 -5.793 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.063 -5.606 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.963 -4.585 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.881 -7.411 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.587 -7.098 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.882 -7.119 11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.713 -5.409 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.265 -5.764 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.452 -7.457 11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.705 -6.174 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.251 -6.810 13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.070 -5.169 13.324 1.00 0.00 H new ATOM 482 N ASN A 30 7.255 -2.748 8.374 1.00 0.00 N ATOM 483 CA ASN A 30 6.664 -1.501 8.835 1.00 0.00 C ATOM 484 C ASN A 30 5.747 -1.046 7.722 1.00 0.00 C ATOM 485 O ASN A 30 6.210 -0.905 6.589 1.00 0.00 O ATOM 486 CB ASN A 30 7.737 -0.430 9.103 1.00 0.00 C ATOM 487 CG ASN A 30 7.800 -0.089 10.572 1.00 0.00 C ATOM 488 OD1 ASN A 30 6.840 0.446 11.129 1.00 0.00 O ATOM 489 ND2 ASN A 30 8.888 -0.445 11.225 1.00 0.00 N ATOM 0 H ASN A 30 7.362 -2.795 7.361 1.00 0.00 H new ATOM 0 HA ASN A 30 6.133 -1.650 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.709 -0.791 8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.513 0.467 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.957 -0.280 12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.661 -0.886 10.726 1.00 0.00 H new ATOM 496 N TYR A 31 4.462 -0.858 7.998 1.00 0.00 N ATOM 497 CA TYR A 31 3.527 -0.320 7.026 1.00 0.00 C ATOM 498 C TYR A 31 2.293 0.200 7.743 1.00 0.00 C ATOM 499 O TYR A 31 1.986 -0.209 8.866 1.00 0.00 O ATOM 500 CB TYR A 31 3.094 -1.396 6.020 1.00 0.00 C ATOM 501 CG TYR A 31 2.231 -2.483 6.627 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.808 -3.474 7.439 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.834 -2.424 6.473 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.995 -4.387 8.126 1.00 0.00 C ATOM 505 CE2 TYR A 31 0.011 -3.345 7.137 1.00 0.00 C ATOM 506 CZ TYR A 31 0.593 -4.310 7.987 1.00 0.00 C ATOM 507 OH TYR A 31 -0.202 -5.139 8.703 1.00 0.00 O ATOM 0 H TYR A 31 4.042 -1.075 8.902 1.00 0.00 H new ATOM 0 HA TYR A 31 4.025 0.486 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.546 -0.921 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.983 -1.851 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.882 -3.533 7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.394 -1.667 5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.439 -5.143 8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.060 -3.316 6.999 1.00 0.00 H new ATOM 0 HH TYR A 31 0.336 -5.871 9.071 1.00 0.00 H new ATOM 517 N GLU A 32 1.544 1.047 7.053 1.00 0.00 N ATOM 518 CA GLU A 32 0.273 1.604 7.482 1.00 0.00 C ATOM 519 C GLU A 32 -0.606 1.818 6.254 1.00 0.00 C ATOM 520 O GLU A 32 -0.106 2.084 5.164 1.00 0.00 O ATOM 521 CB GLU A 32 0.511 2.921 8.244 1.00 0.00 C ATOM 522 CG GLU A 32 1.015 2.661 9.672 1.00 0.00 C ATOM 523 CD GLU A 32 0.275 3.490 10.705 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.790 3.002 11.162 1.00 0.00 O ATOM 525 OE2 GLU A 32 0.773 4.589 11.028 1.00 0.00 O ATOM 0 H GLU A 32 1.823 1.381 6.130 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.235 0.918 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.238 3.528 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.416 3.493 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.900 1.603 9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.080 2.885 9.725 1.00 0.00 H new ATOM 532 N VAL A 33 -1.921 1.712 6.427 1.00 0.00 N ATOM 533 CA VAL A 33 -2.939 1.926 5.410 1.00 0.00 C ATOM 534 C VAL A 33 -3.942 2.892 6.040 1.00 0.00 C ATOM 535 O VAL A 33 -4.427 2.641 7.146 1.00 0.00 O ATOM 536 CB VAL A 33 -3.582 0.579 5.021 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.720 0.797 4.013 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.600 -0.445 4.430 1.00 0.00 C ATOM 0 H VAL A 33 -2.323 1.461 7.330 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.538 2.343 4.487 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.956 0.165 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.162 -0.164 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.482 1.437 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.325 1.273 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.135 -1.362 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.148 -0.036 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.820 -0.664 5.159 1.00 0.00 H new ATOM 548 N SER A 34 -4.250 3.995 5.367 1.00 0.00 N ATOM 549 CA SER A 34 -5.034 5.095 5.898 1.00 0.00 C ATOM 550 C SER A 34 -6.225 5.284 4.963 1.00 0.00 C ATOM 551 O SER A 34 -6.058 5.862 3.897 1.00 0.00 O ATOM 552 CB SER A 34 -4.112 6.309 6.051 1.00 0.00 C ATOM 553 OG SER A 34 -4.533 7.175 7.089 1.00 0.00 O ATOM 0 H SER A 34 -3.949 4.149 4.405 1.00 0.00 H new ATOM 0 HA SER A 34 -5.443 4.916 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.097 5.968 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.081 6.860 5.111 1.00 0.00 H new ATOM 0 HG SER A 34 -3.916 7.934 7.152 1.00 0.00 H new ATOM 559 N VAL A 35 -7.382 4.714 5.304 1.00 0.00 N ATOM 560 CA VAL A 35 -8.556 4.611 4.435 1.00 0.00 C ATOM 561 C VAL A 35 -9.151 5.980 4.113 1.00 0.00 C ATOM 562 O VAL A 35 -9.427 6.261 2.950 1.00 0.00 O ATOM 563 CB VAL A 35 -9.586 3.697 5.127 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.002 3.721 4.541 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.112 2.247 5.144 1.00 0.00 C ATOM 0 H VAL A 35 -7.533 4.298 6.223 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.261 4.181 3.478 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.654 4.115 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.641 3.042 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.404 4.732 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.969 3.406 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.859 1.626 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.970 1.899 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.168 2.179 5.685 1.00 0.00 H new ATOM 575 N GLU A 36 -9.331 6.851 5.109 1.00 0.00 N ATOM 576 CA GLU A 36 -9.838 8.202 4.859 1.00 0.00 C ATOM 577 C GLU A 36 -8.913 8.889 3.874 1.00 0.00 C ATOM 578 O GLU A 36 -9.342 9.402 2.839 1.00 0.00 O ATOM 579 CB GLU A 36 -9.898 8.996 6.162 1.00 0.00 C ATOM 580 CG GLU A 36 -11.206 8.786 6.922 1.00 0.00 C ATOM 581 CD GLU A 36 -11.071 9.286 8.357 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.754 10.486 8.580 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.200 8.456 9.281 1.00 0.00 O ATOM 0 H GLU A 36 -9.135 6.647 6.089 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.846 8.146 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.062 8.705 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.777 10.057 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.015 9.316 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.469 7.728 6.922 1.00 0.00 H new ATOM 590 N GLU A 37 -7.621 8.810 4.177 1.00 0.00 N ATOM 591 CA GLU A 37 -6.595 9.413 3.363 1.00 0.00 C ATOM 592 C GLU A 37 -6.351 8.671 2.048 1.00 0.00 C ATOM 593 O GLU A 37 -5.647 9.204 1.187 1.00 0.00 O ATOM 594 CB GLU A 37 -5.307 9.470 4.182 1.00 0.00 C ATOM 595 CG GLU A 37 -5.236 10.717 5.070 1.00 0.00 C ATOM 596 CD GLU A 37 -4.025 11.538 4.659 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.063 12.187 3.592 1.00 0.00 O ATOM 598 OE2 GLU A 37 -2.961 11.407 5.310 1.00 0.00 O ATOM 0 H GLU A 37 -7.265 8.322 4.999 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.931 10.412 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.236 8.579 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.450 9.457 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.146 11.308 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.160 10.430 6.119 1.00 0.00 H new ATOM 605 N LYS A 38 -6.904 7.464 1.880 1.00 0.00 N ATOM 606 CA LYS A 38 -6.640 6.494 0.821 1.00 0.00 C ATOM 607 C LYS A 38 -5.181 6.046 0.719 1.00 0.00 C ATOM 608 O LYS A 38 -4.904 5.182 -0.105 1.00 0.00 O ATOM 609 CB LYS A 38 -7.242 7.055 -0.485 1.00 0.00 C ATOM 610 CG LYS A 38 -8.778 6.975 -0.508 1.00 0.00 C ATOM 611 CD LYS A 38 -9.377 8.125 -1.319 1.00 0.00 C ATOM 612 CE LYS A 38 -9.660 9.331 -0.417 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.557 10.603 -1.153 1.00 0.00 N ATOM 0 H LYS A 38 -7.603 7.117 2.536 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.131 5.551 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.934 8.093 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.840 6.502 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.089 6.023 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.162 7.006 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.690 8.413 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.300 7.798 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.658 9.239 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.956 9.335 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.755 11.394 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.597 10.704 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.246 10.610 -1.932 1.00 0.00 H new ATOM 627 N LYS A 39 -4.227 6.591 1.465 1.00 0.00 N ATOM 628 CA LYS A 39 -2.804 6.363 1.241 1.00 0.00 C ATOM 629 C LYS A 39 -2.374 5.081 1.943 1.00 0.00 C ATOM 630 O LYS A 39 -3.010 4.626 2.898 1.00 0.00 O ATOM 631 CB LYS A 39 -1.962 7.571 1.707 1.00 0.00 C ATOM 632 CG LYS A 39 -2.174 8.807 0.804 1.00 0.00 C ATOM 633 CD LYS A 39 -1.349 10.046 1.204 1.00 0.00 C ATOM 634 CE LYS A 39 -1.578 10.397 2.677 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.216 11.782 3.037 1.00 0.00 N ATOM 0 H LYS A 39 -4.422 7.211 2.251 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.631 6.250 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.226 7.823 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.907 7.299 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.925 8.537 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.231 9.072 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.290 9.855 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.627 10.892 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.629 10.235 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.000 9.711 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.599 12.008 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.180 11.877 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.613 12.438 2.335 1.00 0.00 H new ATOM 649 N VAL A 40 -1.231 4.552 1.522 1.00 0.00 N ATOM 650 CA VAL A 40 -0.490 3.516 2.224 1.00 0.00 C ATOM 651 C VAL A 40 0.915 4.065 2.412 1.00 0.00 C ATOM 652 O VAL A 40 1.380 4.829 1.564 1.00 0.00 O ATOM 653 CB VAL A 40 -0.506 2.213 1.395 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.162 1.025 2.095 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.944 1.794 1.091 1.00 0.00 C ATOM 0 H VAL A 40 -0.782 4.843 0.654 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.927 3.268 3.191 1.00 0.00 H new ATOM 0 HB VAL A 40 0.056 2.447 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.111 0.147 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.205 1.264 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.354 0.818 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.939 0.874 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.480 1.627 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.440 2.582 0.524 1.00 0.00 H new ATOM 665 N VAL A 41 1.591 3.655 3.482 1.00 0.00 N ATOM 666 CA VAL A 41 3.039 3.683 3.554 1.00 0.00 C ATOM 667 C VAL A 41 3.495 2.250 3.803 1.00 0.00 C ATOM 668 O VAL A 41 2.899 1.539 4.607 1.00 0.00 O ATOM 669 CB VAL A 41 3.562 4.653 4.628 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.090 4.738 4.502 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.984 6.064 4.469 1.00 0.00 C ATOM 0 H VAL A 41 1.143 3.294 4.324 1.00 0.00 H new ATOM 0 HA VAL A 41 3.453 4.062 2.620 1.00 0.00 H new ATOM 0 HB VAL A 41 3.255 4.272 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.480 5.422 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.523 3.749 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.353 5.104 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.383 6.711 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.259 6.462 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.898 6.024 4.551 1.00 0.00 H new ATOM 681 N VAL A 42 4.577 1.847 3.147 1.00 0.00 N ATOM 682 CA VAL A 42 5.351 0.647 3.416 1.00 0.00 C ATOM 683 C VAL A 42 6.783 1.109 3.608 1.00 0.00 C ATOM 684 O VAL A 42 7.198 2.066 2.952 1.00 0.00 O ATOM 685 CB VAL A 42 5.265 -0.354 2.245 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.855 -0.945 2.108 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.751 0.262 0.915 1.00 0.00 C ATOM 0 H VAL A 42 4.958 2.383 2.367 1.00 0.00 H new ATOM 0 HA VAL A 42 4.968 0.129 4.295 1.00 0.00 H new ATOM 0 HB VAL A 42 5.943 -1.174 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.834 -1.645 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.589 -1.468 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.140 -0.142 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.672 -0.480 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.135 1.126 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.790 0.575 1.017 1.00 0.00 H new ATOM 697 N GLU A 43 7.513 0.412 4.464 1.00 0.00 N ATOM 698 CA GLU A 43 8.936 0.537 4.684 1.00 0.00 C ATOM 699 C GLU A 43 9.587 -0.719 4.074 1.00 0.00 C ATOM 700 O GLU A 43 9.591 -1.784 4.700 1.00 0.00 O ATOM 701 CB GLU A 43 9.160 0.697 6.194 1.00 0.00 C ATOM 702 CG GLU A 43 10.518 1.284 6.591 1.00 0.00 C ATOM 703 CD GLU A 43 10.727 1.137 8.106 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.235 1.991 8.891 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.357 0.141 8.524 1.00 0.00 O ATOM 0 H GLU A 43 7.095 -0.302 5.061 1.00 0.00 H new ATOM 0 HA GLU A 43 9.390 1.407 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.374 1.336 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.051 -0.279 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.316 0.773 6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.566 2.336 6.309 1.00 0.00 H new ATOM 712 N THR A 44 10.069 -0.643 2.830 1.00 0.00 N ATOM 713 CA THR A 44 10.772 -1.731 2.151 1.00 0.00 C ATOM 714 C THR A 44 12.040 -1.195 1.467 1.00 0.00 C ATOM 715 O THR A 44 12.267 0.009 1.397 1.00 0.00 O ATOM 716 CB THR A 44 9.790 -2.487 1.226 1.00 0.00 C ATOM 717 OG1 THR A 44 10.359 -3.685 0.723 1.00 0.00 O ATOM 718 CG2 THR A 44 9.333 -1.649 0.030 1.00 0.00 C ATOM 0 H THR A 44 9.978 0.195 2.256 1.00 0.00 H new ATOM 0 HA THR A 44 11.130 -2.474 2.864 1.00 0.00 H new ATOM 0 HB THR A 44 8.928 -2.711 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.710 -4.137 0.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.646 -2.233 -0.582 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.828 -0.751 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.199 -1.365 -0.568 1.00 0.00 H new ATOM 726 N GLU A 45 12.878 -2.096 0.955 1.00 0.00 N ATOM 727 CA GLU A 45 14.030 -1.815 0.098 1.00 0.00 C ATOM 728 C GLU A 45 13.700 -2.166 -1.361 1.00 0.00 C ATOM 729 O GLU A 45 14.531 -1.955 -2.241 1.00 0.00 O ATOM 730 CB GLU A 45 15.252 -2.617 0.606 1.00 0.00 C ATOM 731 CG GLU A 45 16.389 -1.736 1.139 1.00 0.00 C ATOM 732 CD GLU A 45 17.158 -1.059 0.011 1.00 0.00 C ATOM 733 OE1 GLU A 45 18.058 -1.723 -0.558 1.00 0.00 O ATOM 734 OE2 GLU A 45 16.878 0.127 -0.262 1.00 0.00 O ATOM 0 H GLU A 45 12.766 -3.094 1.136 1.00 0.00 H new ATOM 0 HA GLU A 45 14.270 -0.753 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.928 -3.294 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.633 -3.235 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.979 -0.977 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.073 -2.344 1.731 1.00 0.00 H new ATOM 741 N ASN A 46 12.516 -2.729 -1.644 1.00 0.00 N ATOM 742 CA ASN A 46 12.078 -3.064 -2.994 1.00 0.00 C ATOM 743 C ASN A 46 10.620 -2.661 -3.154 1.00 0.00 C ATOM 744 O ASN A 46 9.714 -3.491 -3.053 1.00 0.00 O ATOM 745 CB ASN A 46 12.335 -4.547 -3.309 1.00 0.00 C ATOM 746 CG ASN A 46 11.967 -4.962 -4.733 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.720 -6.135 -4.983 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.952 -4.085 -5.724 1.00 0.00 N ATOM 0 H ASN A 46 11.831 -2.965 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 46 12.662 -2.506 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.390 -4.764 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.768 -5.159 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.738 -4.391 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.155 -3.103 -5.539 1.00 0.00 H new ATOM 755 N LEU A 47 10.405 -1.361 -3.383 1.00 0.00 N ATOM 756 CA LEU A 47 9.092 -0.778 -3.642 1.00 0.00 C ATOM 757 C LEU A 47 8.378 -1.516 -4.769 1.00 0.00 C ATOM 758 O LEU A 47 7.168 -1.703 -4.685 1.00 0.00 O ATOM 759 CB LEU A 47 9.255 0.710 -3.999 1.00 0.00 C ATOM 760 CG LEU A 47 7.962 1.397 -4.488 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.837 1.372 -3.449 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.274 2.850 -4.846 1.00 0.00 C ATOM 0 H LEU A 47 11.158 -0.673 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 47 8.483 -0.873 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.625 1.242 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.016 0.803 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 47 7.612 0.839 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.956 1.871 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.589 0.339 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.164 1.889 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.365 3.343 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.654 3.368 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.025 2.877 -5.636 1.00 0.00 H new ATOM 774 N ASP A 48 9.109 -1.960 -5.794 1.00 0.00 N ATOM 775 CA ASP A 48 8.511 -2.569 -6.979 1.00 0.00 C ATOM 776 C ASP A 48 7.658 -3.776 -6.617 1.00 0.00 C ATOM 777 O ASP A 48 6.558 -3.926 -7.138 1.00 0.00 O ATOM 778 CB ASP A 48 9.580 -2.966 -8.009 1.00 0.00 C ATOM 779 CG ASP A 48 9.208 -2.372 -9.354 1.00 0.00 C ATOM 780 OD1 ASP A 48 9.283 -1.129 -9.461 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.792 -3.123 -10.269 1.00 0.00 O ATOM 0 H ASP A 48 10.127 -1.907 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 48 7.864 -1.816 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.559 -2.605 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.649 -4.051 -8.082 1.00 0.00 H new ATOM 786 N SER A 49 8.123 -4.591 -5.666 1.00 0.00 N ATOM 787 CA SER A 49 7.398 -5.755 -5.179 1.00 0.00 C ATOM 788 C SER A 49 6.038 -5.334 -4.607 1.00 0.00 C ATOM 789 O SER A 49 5.024 -5.977 -4.879 1.00 0.00 O ATOM 790 CB SER A 49 8.269 -6.462 -4.147 1.00 0.00 C ATOM 791 OG SER A 49 7.921 -7.817 -3.956 1.00 0.00 O ATOM 0 H SER A 49 9.025 -4.454 -5.211 1.00 0.00 H new ATOM 0 HA SER A 49 7.190 -6.450 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.311 -6.403 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.191 -5.937 -3.195 1.00 0.00 H new ATOM 0 HG SER A 49 8.514 -8.216 -3.286 1.00 0.00 H new ATOM 797 N VAL A 50 5.994 -4.229 -3.853 1.00 0.00 N ATOM 798 CA VAL A 50 4.759 -3.680 -3.314 1.00 0.00 C ATOM 799 C VAL A 50 3.895 -3.176 -4.474 1.00 0.00 C ATOM 800 O VAL A 50 2.718 -3.503 -4.518 1.00 0.00 O ATOM 801 CB VAL A 50 5.034 -2.549 -2.300 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.704 -2.067 -1.690 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.017 -2.906 -1.167 1.00 0.00 C ATOM 0 H VAL A 50 6.824 -3.692 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 50 4.229 -4.464 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 50 5.523 -1.761 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.900 -1.269 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.055 -1.693 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.215 -2.898 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.142 -2.046 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.623 -3.746 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.982 -3.179 -1.595 1.00 0.00 H new ATOM 813 N LEU A 51 4.421 -2.362 -5.396 1.00 0.00 N ATOM 814 CA LEU A 51 3.610 -1.789 -6.475 1.00 0.00 C ATOM 815 C LEU A 51 3.006 -2.890 -7.342 1.00 0.00 C ATOM 816 O LEU A 51 1.838 -2.801 -7.726 1.00 0.00 O ATOM 817 CB LEU A 51 4.430 -0.824 -7.342 1.00 0.00 C ATOM 818 CG LEU A 51 4.753 0.517 -6.659 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.654 1.343 -7.579 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.498 1.347 -6.355 1.00 0.00 C ATOM 0 H LEU A 51 5.403 -2.086 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 51 2.802 -1.224 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.364 -1.310 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.883 -0.627 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 51 5.242 0.283 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.887 2.295 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.578 0.797 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.140 1.527 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.787 2.281 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.972 1.565 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.842 0.785 -5.690 1.00 0.00 H new ATOM 832 N LYS A 52 3.764 -3.952 -7.603 1.00 0.00 N ATOM 833 CA LYS A 52 3.268 -5.151 -8.258 1.00 0.00 C ATOM 834 C LYS A 52 2.127 -5.706 -7.426 1.00 0.00 C ATOM 835 O LYS A 52 1.016 -5.812 -7.936 1.00 0.00 O ATOM 836 CB LYS A 52 4.404 -6.170 -8.454 1.00 0.00 C ATOM 837 CG LYS A 52 5.016 -6.119 -9.862 1.00 0.00 C ATOM 838 CD LYS A 52 5.753 -4.810 -10.159 1.00 0.00 C ATOM 839 CE LYS A 52 6.063 -4.724 -11.654 1.00 0.00 C ATOM 840 NZ LYS A 52 6.629 -3.406 -11.992 1.00 0.00 N ATOM 0 H LYS A 52 4.754 -4.001 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 52 2.893 -4.919 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.185 -5.982 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.022 -7.173 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.709 -6.952 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.225 -6.257 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.143 -3.960 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.677 -4.762 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.766 -5.509 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.153 -4.893 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.722 -3.323 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.999 -2.657 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.565 -3.307 -11.551 1.00 0.00 H new ATOM 854 N LYS A 53 2.375 -5.988 -6.143 1.00 0.00 N ATOM 855 CA LYS A 53 1.396 -6.584 -5.249 1.00 0.00 C ATOM 856 C LYS A 53 0.111 -5.763 -5.177 1.00 0.00 C ATOM 857 O LYS A 53 -0.961 -6.348 -5.050 1.00 0.00 O ATOM 858 CB LYS A 53 2.009 -6.807 -3.861 1.00 0.00 C ATOM 859 CG LYS A 53 1.111 -7.704 -3.003 1.00 0.00 C ATOM 860 CD LYS A 53 1.143 -9.182 -3.416 1.00 0.00 C ATOM 861 CE LYS A 53 2.127 -9.885 -2.496 1.00 0.00 C ATOM 862 NZ LYS A 53 2.566 -11.200 -3.000 1.00 0.00 N ATOM 0 H LYS A 53 3.274 -5.804 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 53 1.116 -7.555 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.994 -7.263 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.152 -5.847 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.418 -7.620 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.085 -7.341 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.152 -9.627 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.450 -9.284 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.000 -9.248 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.667 -10.015 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.558 -11.890 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.920 -11.517 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.530 -11.121 -3.383 1.00 0.00 H new ATOM 876 N LEU A 54 0.182 -4.433 -5.215 1.00 0.00 N ATOM 877 CA LEU A 54 -1.010 -3.596 -5.175 1.00 0.00 C ATOM 878 C LEU A 54 -1.869 -3.871 -6.414 1.00 0.00 C ATOM 879 O LEU A 54 -3.077 -4.044 -6.305 1.00 0.00 O ATOM 880 CB LEU A 54 -0.591 -2.125 -5.060 1.00 0.00 C ATOM 881 CG LEU A 54 -0.439 -1.553 -3.638 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.777 -0.995 -3.127 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.116 -2.472 -2.545 1.00 0.00 C ATOM 0 H LEU A 54 1.058 -3.913 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.619 -3.831 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.360 -2.001 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.325 -1.520 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 54 0.323 -0.789 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.645 -0.597 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.117 -0.200 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.520 -1.792 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.164 -1.928 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.536 -3.338 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.116 -2.805 -2.823 1.00 0.00 H new ATOM 895 N GLU A 55 -1.282 -3.941 -7.608 1.00 0.00 N ATOM 896 CA GLU A 55 -2.034 -4.224 -8.817 1.00 0.00 C ATOM 897 C GLU A 55 -2.584 -5.660 -8.778 1.00 0.00 C ATOM 898 O GLU A 55 -3.734 -5.902 -9.138 1.00 0.00 O ATOM 899 CB GLU A 55 -1.102 -3.969 -10.006 1.00 0.00 C ATOM 900 CG GLU A 55 -1.939 -3.415 -11.148 1.00 0.00 C ATOM 901 CD GLU A 55 -1.113 -3.207 -12.410 1.00 0.00 C ATOM 902 OE1 GLU A 55 -0.008 -2.629 -12.317 1.00 0.00 O ATOM 903 OE2 GLU A 55 -1.554 -3.651 -13.493 1.00 0.00 O ATOM 0 H GLU A 55 -0.282 -3.804 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.905 -3.576 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.318 -3.264 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.608 -4.893 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.761 -4.099 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.384 -2.467 -10.845 1.00 0.00 H new ATOM 910 N GLU A 56 -1.793 -6.588 -8.231 1.00 0.00 N ATOM 911 CA GLU A 56 -2.076 -8.013 -8.013 1.00 0.00 C ATOM 912 C GLU A 56 -3.207 -8.295 -7.016 1.00 0.00 C ATOM 913 O GLU A 56 -3.528 -9.459 -6.764 1.00 0.00 O ATOM 914 CB GLU A 56 -0.785 -8.671 -7.496 1.00 0.00 C ATOM 915 CG GLU A 56 -0.083 -9.557 -8.516 1.00 0.00 C ATOM 916 CD GLU A 56 -0.746 -10.921 -8.714 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.027 -11.611 -7.704 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.910 -11.288 -9.904 1.00 0.00 O ATOM 0 H GLU A 56 -0.860 -6.343 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.411 -8.421 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.096 -7.890 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.022 -9.268 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.052 -9.037 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.950 -9.708 -8.201 1.00 0.00 H new ATOM 925 N ILE A 57 -3.797 -7.267 -6.408 1.00 0.00 N ATOM 926 CA ILE A 57 -4.997 -7.389 -5.590 1.00 0.00 C ATOM 927 C ILE A 57 -6.167 -6.622 -6.227 1.00 0.00 C ATOM 928 O ILE A 57 -7.197 -6.488 -5.574 1.00 0.00 O ATOM 929 CB ILE A 57 -4.712 -6.997 -4.123 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.359 -5.506 -4.007 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.623 -7.882 -3.481 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.653 -4.904 -2.638 1.00 0.00 C ATOM 0 H ILE A 57 -3.447 -6.311 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.305 -8.434 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.631 -7.172 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.300 -5.375 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.915 -4.952 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.459 -7.567 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.945 -8.923 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.695 -7.782 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.377 -3.850 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.716 -5.000 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.077 -5.431 -1.877 1.00 0.00 H new ATOM 944 N ASP A 58 -6.032 -6.167 -7.486 1.00 0.00 N ATOM 945 CA ASP A 58 -6.964 -5.340 -8.263 1.00 0.00 C ATOM 946 C ASP A 58 -6.929 -3.868 -7.843 1.00 0.00 C ATOM 947 O ASP A 58 -7.890 -3.151 -8.103 1.00 0.00 O ATOM 948 CB ASP A 58 -8.395 -5.908 -8.197 1.00 0.00 C ATOM 949 CG ASP A 58 -9.254 -5.566 -9.414 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.870 -5.981 -10.531 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.405 -5.097 -9.249 1.00 0.00 O ATOM 0 H ASP A 58 -5.197 -6.389 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.632 -5.376 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.341 -6.992 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.885 -5.528 -7.300 1.00 0.00 H new ATOM 956 N TYR A 59 -5.856 -3.401 -7.183 1.00 0.00 N ATOM 957 CA TYR A 59 -5.773 -2.050 -6.623 1.00 0.00 C ATOM 958 C TYR A 59 -4.688 -1.265 -7.353 1.00 0.00 C ATOM 959 O TYR A 59 -3.554 -1.162 -6.865 1.00 0.00 O ATOM 960 CB TYR A 59 -5.506 -2.058 -5.114 1.00 0.00 C ATOM 961 CG TYR A 59 -6.723 -2.315 -4.258 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.629 -3.337 -4.576 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.965 -1.514 -3.134 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.830 -3.478 -3.890 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.089 -1.753 -2.337 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.072 -2.663 -2.773 1.00 0.00 C ATOM 967 OH TYR A 59 -10.286 -2.711 -2.175 1.00 0.00 O ATOM 0 H TYR A 59 -5.017 -3.959 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.740 -1.568 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.758 -2.820 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.075 -1.098 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.389 -4.029 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.285 -0.713 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.564 -4.202 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.203 -1.243 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.886 -3.282 -2.699 1.00 0.00 H new ATOM 977 N PRO A 60 -4.991 -0.708 -8.527 1.00 0.00 N ATOM 978 CA PRO A 60 -4.049 0.095 -9.266 1.00 0.00 C ATOM 979 C PRO A 60 -3.792 1.405 -8.508 1.00 0.00 C ATOM 980 O PRO A 60 -4.661 2.282 -8.433 1.00 0.00 O ATOM 981 CB PRO A 60 -4.665 0.268 -10.640 1.00 0.00 C ATOM 982 CG PRO A 60 -6.168 0.196 -10.383 1.00 0.00 C ATOM 983 CD PRO A 60 -6.261 -0.795 -9.229 1.00 0.00 C ATOM 0 HA PRO A 60 -3.064 -0.358 -9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.382 1.221 -11.087 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.339 -0.515 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.581 1.169 -10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.713 -0.151 -11.261 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.091 -0.547 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.436 -1.806 -9.596 1.00 0.00 H new ATOM 991 N VAL A 61 -2.600 1.532 -7.921 1.00 0.00 N ATOM 992 CA VAL A 61 -2.114 2.773 -7.331 1.00 0.00 C ATOM 993 C VAL A 61 -2.096 3.811 -8.464 1.00 0.00 C ATOM 994 O VAL A 61 -1.895 3.483 -9.640 1.00 0.00 O ATOM 995 CB VAL A 61 -0.725 2.547 -6.691 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.393 2.207 -7.673 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.309 3.746 -5.839 1.00 0.00 C ATOM 0 H VAL A 61 -1.937 0.760 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.753 3.130 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.857 1.663 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.326 2.067 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.143 1.289 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.509 3.021 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.672 3.559 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.263 4.638 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.038 3.897 -5.043 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.304 5.069 -8.122 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.046 6.198 -9.011 1.00 0.00 C ATOM 1009 C GLU A 62 -0.564 6.557 -8.875 1.00 0.00 C ATOM 1010 O GLU A 62 0.246 6.097 -9.676 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.008 7.365 -8.719 1.00 0.00 C ATOM 1012 CG GLU A 62 -2.993 8.436 -9.832 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.291 9.253 -9.921 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.107 9.236 -8.977 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.577 9.839 -10.994 1.00 0.00 O ATOM 0 H GLU A 62 -2.662 5.344 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.242 5.941 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.020 6.977 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.736 7.828 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.158 9.115 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.815 7.949 -10.790 1.00 0.00 H new ATOM 1022 N SER A 63 -0.177 7.296 -7.833 1.00 0.00 N ATOM 1023 CA SER A 63 1.158 7.881 -7.663 1.00 0.00 C ATOM 1024 C SER A 63 1.854 7.315 -6.418 1.00 0.00 C ATOM 1025 O SER A 63 1.271 6.513 -5.685 1.00 0.00 O ATOM 1026 CB SER A 63 1.034 9.417 -7.594 1.00 0.00 C ATOM 1027 OG SER A 63 0.047 9.932 -8.475 1.00 0.00 O ATOM 0 H SER A 63 -0.804 7.512 -7.058 1.00 0.00 H new ATOM 0 HA SER A 63 1.779 7.617 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.791 9.711 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.998 9.865 -7.834 1.00 0.00 H new ATOM 0 HG SER A 63 0.009 10.908 -8.390 1.00 0.00 H new ATOM 1033 N TYR A 64 3.103 7.706 -6.161 1.00 0.00 N ATOM 1034 CA TYR A 64 3.830 7.364 -4.944 1.00 0.00 C ATOM 1035 C TYR A 64 4.890 8.435 -4.681 1.00 0.00 C ATOM 1036 O TYR A 64 5.178 9.243 -5.562 1.00 0.00 O ATOM 1037 CB TYR A 64 4.471 5.971 -5.068 1.00 0.00 C ATOM 1038 CG TYR A 64 5.426 5.828 -6.236 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.721 6.375 -6.162 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.994 5.206 -7.421 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.563 6.345 -7.285 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.845 5.141 -8.537 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.128 5.729 -8.476 1.00 0.00 C ATOM 1044 OH TYR A 64 7.943 5.735 -9.560 1.00 0.00 O ATOM 0 H TYR A 64 3.645 8.280 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 64 3.138 7.331 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.007 5.747 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.680 5.227 -5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.067 6.818 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.004 4.777 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.544 6.794 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.519 4.643 -9.438 1.00 0.00 H new ATOM 0 HH TYR A 64 7.503 5.271 -10.303 1.00 0.00 H new ATOM 1054 N GLN A 65 5.488 8.422 -3.487 1.00 0.00 N ATOM 1055 CA GLN A 65 6.546 9.328 -3.078 1.00 0.00 C ATOM 1056 C GLN A 65 7.395 8.664 -2.009 1.00 0.00 C ATOM 1057 O GLN A 65 6.854 8.039 -1.103 1.00 0.00 O ATOM 1058 CB GLN A 65 5.902 10.603 -2.489 1.00 0.00 C ATOM 1059 CG GLN A 65 5.890 11.795 -3.431 1.00 0.00 C ATOM 1060 CD GLN A 65 7.252 12.471 -3.466 1.00 0.00 C ATOM 1061 OE1 GLN A 65 8.285 11.841 -3.692 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.309 13.761 -3.187 1.00 0.00 N ATOM 0 H GLN A 65 5.235 7.754 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 65 7.171 9.580 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.877 10.376 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.438 10.879 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.615 11.468 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.132 12.510 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.451 14.281 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.211 14.237 -3.159 1.00 0.00 H new ATOM 1071 N GLU A 66 8.708 8.832 -2.102 1.00 0.00 N ATOM 1072 CA GLU A 66 9.712 8.622 -1.072 1.00 0.00 C ATOM 1073 C GLU A 66 9.360 9.481 0.152 1.00 0.00 C ATOM 1074 O GLU A 66 8.862 10.594 -0.026 1.00 0.00 O ATOM 1075 CB GLU A 66 11.039 9.080 -1.700 1.00 0.00 C ATOM 1076 CG GLU A 66 12.260 8.312 -1.219 1.00 0.00 C ATOM 1077 CD GLU A 66 13.487 8.763 -2.017 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.657 8.257 -3.153 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.223 9.672 -1.560 1.00 0.00 O ATOM 0 H GLU A 66 9.132 9.145 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 66 9.771 7.585 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.967 8.982 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.183 10.139 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.419 8.488 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.103 7.241 -1.345 1.00 0.00 H new ATOM 1086 N VAL A 67 9.616 9.012 1.374 1.00 0.00 N ATOM 1087 CA VAL A 67 9.323 9.741 2.610 1.00 0.00 C ATOM 1088 C VAL A 67 10.324 9.423 3.708 1.00 0.00 C ATOM 1089 O VAL A 67 11.037 8.404 3.637 1.00 0.00 O ATOM 1090 CB VAL A 67 7.858 9.547 3.076 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.972 10.703 2.614 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.175 8.275 2.545 1.00 0.00 C ATOM 0 H VAL A 67 10.040 8.099 1.536 1.00 0.00 H new ATOM 0 HA VAL A 67 9.433 10.801 2.381 1.00 0.00 H new ATOM 0 HB VAL A 67 7.948 9.484 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.950 10.538 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.347 11.638 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.985 10.759 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.154 8.225 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.157 8.299 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.729 7.398 2.879 1.00 0.00 H new TER 1102 VAL A 67