USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 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 20 SER OG : rot 180:sc= 1.11 USER MOD Set 1.2: A 31 TYR OH : rot -145:sc= 1.16 USER MOD Set 2.1: A 15 CYS SG : rot -166:sc= -0.797 USER MOD Set 2.2: A 59 TYR OH : rot -138:sc= 0.0218 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.17 (180deg=1.12) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,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=-0.0286) USER MOD Single : A 21 LYS NZ :NH3+ -98:sc= -0.336 (180deg=-1.87!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.119 K(o=0.12,f=-1.5!) USER MOD Single : A 34 SER OG : rot 140:sc= 0.519 USER MOD Single : A 38 LYS NZ :NH3+ -126:sc= -0.656! (180deg=-2.77!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 46 ASN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0.839 (180deg=0.659) USER MOD Single : A 63 SER OG : rot 40:sc= 0.429 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.819 2.072 2.353 1.00 0.00 N ATOM 2 CA MET A 1 13.336 3.436 2.643 1.00 0.00 C ATOM 3 C MET A 1 11.874 3.360 3.069 1.00 0.00 C ATOM 4 O MET A 1 11.412 2.272 3.422 1.00 0.00 O ATOM 5 CB MET A 1 13.653 4.381 1.465 1.00 0.00 C ATOM 6 CG MET A 1 15.049 4.995 1.656 1.00 0.00 C ATOM 7 SD MET A 1 16.395 3.843 2.087 1.00 0.00 S ATOM 8 CE MET A 1 16.965 3.323 0.447 1.00 0.00 C ATOM 0 H1 MET A 1 14.795 2.118 1.996 1.00 0.00 H new ATOM 0 H2 MET A 1 13.795 1.503 3.223 1.00 0.00 H new ATOM 0 H3 MET A 1 13.208 1.633 1.635 1.00 0.00 H new ATOM 0 HA MET A 1 13.863 3.884 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.612 3.832 0.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.903 5.170 1.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.323 5.511 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.984 5.752 2.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.788 2.616 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.145 2.846 -0.089 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.306 4.194 -0.113 1.00 0.00 H new ATOM 18 N ARG A 2 11.129 4.468 3.099 1.00 0.00 N ATOM 19 CA ARG A 2 9.672 4.404 3.089 1.00 0.00 C ATOM 20 C ARG A 2 9.160 5.221 1.915 1.00 0.00 C ATOM 21 O ARG A 2 9.862 6.095 1.404 1.00 0.00 O ATOM 22 CB ARG A 2 9.070 4.822 4.448 1.00 0.00 C ATOM 23 CG ARG A 2 8.719 6.311 4.491 1.00 0.00 C ATOM 24 CD ARG A 2 8.368 6.903 5.864 1.00 0.00 C ATOM 25 NE ARG A 2 9.420 7.836 6.290 1.00 0.00 N ATOM 26 CZ ARG A 2 10.665 7.457 6.584 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.855 6.368 7.320 1.00 0.00 N ATOM 28 NH2 ARG A 2 11.692 8.140 6.104 1.00 0.00 N ATOM 0 H ARG A 2 11.511 5.413 3.130 1.00 0.00 H new ATOM 0 HA ARG A 2 9.343 3.374 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.174 4.233 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.780 4.595 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.563 6.870 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.874 6.480 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.410 7.420 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.260 6.104 6.597 1.00 0.00 H new ATOM 0 HE ARG A 2 9.186 8.826 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.054 5.832 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.802 6.068 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.531 8.954 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.645 7.852 6.327 1.00 0.00 H new ATOM 42 N TYR A 3 7.919 4.959 1.532 1.00 0.00 N ATOM 43 CA TYR A 3 7.283 5.578 0.387 1.00 0.00 C ATOM 44 C TYR A 3 5.845 5.847 0.774 1.00 0.00 C ATOM 45 O TYR A 3 5.236 4.976 1.389 1.00 0.00 O ATOM 46 CB TYR A 3 7.357 4.618 -0.807 1.00 0.00 C ATOM 47 CG TYR A 3 8.749 4.081 -1.041 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.696 4.856 -1.732 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.117 2.833 -0.501 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.993 4.364 -1.928 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.404 2.324 -0.724 1.00 0.00 C ATOM 52 CZ TYR A 3 11.330 3.073 -1.476 1.00 0.00 C ATOM 53 OH TYR A 3 12.525 2.530 -1.816 1.00 0.00 O ATOM 0 H TYR A 3 7.317 4.296 2.021 1.00 0.00 H new ATOM 0 HA TYR A 3 7.775 6.508 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.674 3.785 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.016 5.135 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.424 5.830 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.407 2.268 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.733 4.973 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.684 1.362 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 3 12.602 1.636 -1.423 1.00 0.00 H new ATOM 63 N VAL A 4 5.302 7.010 0.426 1.00 0.00 N ATOM 64 CA VAL A 4 3.883 7.309 0.532 1.00 0.00 C ATOM 65 C VAL A 4 3.259 6.958 -0.811 1.00 0.00 C ATOM 66 O VAL A 4 3.737 7.420 -1.844 1.00 0.00 O ATOM 67 CB VAL A 4 3.685 8.784 0.939 1.00 0.00 C ATOM 68 CG1 VAL A 4 4.109 9.821 -0.123 1.00 0.00 C ATOM 69 CG2 VAL A 4 2.225 9.030 1.334 1.00 0.00 C ATOM 0 H VAL A 4 5.851 7.786 0.055 1.00 0.00 H new ATOM 0 HA VAL A 4 3.391 6.725 1.310 1.00 0.00 H new ATOM 0 HB VAL A 4 4.355 8.935 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.931 10.826 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.169 9.701 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.527 9.669 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.096 10.074 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.576 8.802 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.963 8.389 2.176 1.00 0.00 H new ATOM 79 N LEU A 5 2.233 6.114 -0.820 1.00 0.00 N ATOM 80 CA LEU A 5 1.550 5.624 -2.010 1.00 0.00 C ATOM 81 C LEU A 5 0.126 6.155 -1.996 1.00 0.00 C ATOM 82 O LEU A 5 -0.463 6.282 -0.915 1.00 0.00 O ATOM 83 CB LEU A 5 1.492 4.091 -2.021 1.00 0.00 C ATOM 84 CG LEU A 5 2.833 3.337 -1.979 1.00 0.00 C ATOM 85 CD1 LEU A 5 3.392 3.162 -0.578 1.00 0.00 C ATOM 86 CD2 LEU A 5 2.637 1.957 -2.612 1.00 0.00 C ATOM 0 H LEU A 5 1.838 5.736 0.041 1.00 0.00 H new ATOM 0 HA LEU A 5 2.095 5.962 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.896 3.769 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.957 3.779 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 5 3.555 3.940 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.338 2.622 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.556 4.141 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.684 2.597 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.579 1.409 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.883 1.404 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.309 2.074 -3.645 1.00 0.00 H new ATOM 98 N TYR A 6 -0.471 6.327 -3.175 1.00 0.00 N ATOM 99 CA TYR A 6 -1.821 6.837 -3.353 1.00 0.00 C ATOM 100 C TYR A 6 -2.696 5.795 -4.049 1.00 0.00 C ATOM 101 O TYR A 6 -2.564 5.568 -5.250 1.00 0.00 O ATOM 102 CB TYR A 6 -1.766 8.165 -4.128 1.00 0.00 C ATOM 103 CG TYR A 6 -3.022 9.020 -4.018 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.672 9.195 -2.778 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.536 9.671 -5.155 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.811 10.007 -2.667 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.651 10.521 -5.042 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.306 10.683 -3.801 1.00 0.00 C ATOM 109 OH TYR A 6 -6.413 11.468 -3.707 1.00 0.00 O ATOM 0 H TYR A 6 -0.010 6.107 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.276 7.034 -2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.916 8.745 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.582 7.948 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.287 8.696 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.072 9.517 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.308 10.114 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.009 11.054 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.613 11.858 -4.584 1.00 0.00 H new ATOM 119 N VAL A 7 -3.564 5.134 -3.292 1.00 0.00 N ATOM 120 CA VAL A 7 -4.428 4.032 -3.718 1.00 0.00 C ATOM 121 C VAL A 7 -5.882 4.483 -3.493 1.00 0.00 C ATOM 122 O VAL A 7 -6.407 4.315 -2.397 1.00 0.00 O ATOM 123 CB VAL A 7 -4.048 2.734 -2.977 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.881 1.503 -3.388 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.571 2.366 -3.189 1.00 0.00 C ATOM 0 H VAL A 7 -3.693 5.364 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.303 3.797 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.254 2.965 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.550 0.634 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.935 1.691 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.748 1.313 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.344 1.446 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.381 2.220 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.938 3.171 -2.815 1.00 0.00 H new ATOM 135 N PRO A 8 -6.528 5.174 -4.441 1.00 0.00 N ATOM 136 CA PRO A 8 -7.882 5.697 -4.249 1.00 0.00 C ATOM 137 C PRO A 8 -8.945 4.647 -3.868 1.00 0.00 C ATOM 138 O PRO A 8 -9.951 5.029 -3.269 1.00 0.00 O ATOM 139 CB PRO A 8 -8.225 6.442 -5.543 1.00 0.00 C ATOM 140 CG PRO A 8 -7.232 5.891 -6.565 1.00 0.00 C ATOM 141 CD PRO A 8 -6.005 5.536 -5.745 1.00 0.00 C ATOM 0 HA PRO A 8 -7.896 6.355 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.255 6.257 -5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.117 7.520 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.634 5.017 -7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.998 6.631 -7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.454 4.710 -6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.317 6.379 -5.676 1.00 0.00 H new ATOM 149 N ASP A 9 -8.747 3.348 -4.142 1.00 0.00 N ATOM 150 CA ASP A 9 -9.737 2.305 -3.811 1.00 0.00 C ATOM 151 C ASP A 9 -9.811 1.979 -2.314 1.00 0.00 C ATOM 152 O ASP A 9 -10.681 1.234 -1.862 1.00 0.00 O ATOM 153 CB ASP A 9 -9.461 1.009 -4.584 1.00 0.00 C ATOM 154 CG ASP A 9 -10.676 0.071 -4.568 1.00 0.00 C ATOM 155 OD1 ASP A 9 -11.826 0.548 -4.673 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.469 -1.158 -4.529 1.00 0.00 O ATOM 0 H ASP A 9 -7.906 2.991 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.698 2.725 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.199 1.248 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.602 0.500 -4.147 1.00 0.00 H new ATOM 161 N ILE A 10 -8.935 2.553 -1.483 1.00 0.00 N ATOM 162 CA ILE A 10 -8.983 2.360 -0.030 1.00 0.00 C ATOM 163 C ILE A 10 -10.166 3.159 0.580 1.00 0.00 C ATOM 164 O ILE A 10 -10.239 3.367 1.784 1.00 0.00 O ATOM 165 CB ILE A 10 -7.595 2.656 0.610 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.450 1.992 -0.201 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.483 2.205 2.091 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.065 2.062 0.423 1.00 0.00 C ATOM 0 H ILE A 10 -8.178 3.160 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.186 1.315 0.203 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.497 3.741 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.703 0.944 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.408 2.461 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.489 2.443 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.233 2.725 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.648 1.130 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.346 1.567 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.777 3.105 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.077 1.564 1.393 1.00 0.00 H new ATOM 180 N SER A 11 -11.137 3.610 -0.216 1.00 0.00 N ATOM 181 CA SER A 11 -12.303 4.372 0.216 1.00 0.00 C ATOM 182 C SER A 11 -13.235 3.589 1.169 1.00 0.00 C ATOM 183 O SER A 11 -14.175 4.179 1.710 1.00 0.00 O ATOM 184 CB SER A 11 -13.040 4.826 -1.052 1.00 0.00 C ATOM 185 OG SER A 11 -13.544 6.145 -0.944 1.00 0.00 O ATOM 0 H SER A 11 -11.129 3.445 -1.223 1.00 0.00 H new ATOM 0 HA SER A 11 -11.973 5.227 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.361 4.769 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.864 4.141 -1.254 1.00 0.00 H new ATOM 0 HG SER A 11 -14.003 6.389 -1.775 1.00 0.00 H new ATOM 191 N CYS A 12 -12.998 2.290 1.407 1.00 0.00 N ATOM 192 CA CYS A 12 -13.747 1.466 2.352 1.00 0.00 C ATOM 193 C CYS A 12 -12.824 0.662 3.271 1.00 0.00 C ATOM 194 O CYS A 12 -11.654 0.412 2.979 1.00 0.00 O ATOM 195 CB CYS A 12 -14.714 0.550 1.589 1.00 0.00 C ATOM 196 SG CYS A 12 -16.321 1.356 1.378 1.00 0.00 S ATOM 0 H CYS A 12 -12.258 1.775 0.931 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.324 2.128 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.295 0.301 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.839 -0.387 2.131 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.122 0.564 0.728 1.00 0.00 H new ATOM 202 N ASN A 13 -13.373 0.206 4.397 1.00 0.00 N ATOM 203 CA ASN A 13 -12.626 -0.472 5.452 1.00 0.00 C ATOM 204 C ASN A 13 -12.293 -1.914 5.080 1.00 0.00 C ATOM 205 O ASN A 13 -11.198 -2.379 5.408 1.00 0.00 O ATOM 206 CB ASN A 13 -13.388 -0.420 6.788 1.00 0.00 C ATOM 207 CG ASN A 13 -12.567 0.370 7.792 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.596 -0.137 8.349 1.00 0.00 O ATOM 209 ND2 ASN A 13 -12.895 1.629 7.993 1.00 0.00 N ATOM 0 H ASN A 13 -14.367 0.300 4.603 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.683 0.062 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.363 0.047 6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.568 -1.429 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.338 2.207 8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.706 2.027 7.519 1.00 0.00 H new ATOM 216 N HIS A 14 -13.199 -2.604 4.371 1.00 0.00 N ATOM 217 CA HIS A 14 -12.908 -3.898 3.742 1.00 0.00 C ATOM 218 C HIS A 14 -11.735 -3.765 2.795 1.00 0.00 C ATOM 219 O HIS A 14 -10.831 -4.603 2.811 1.00 0.00 O ATOM 220 CB HIS A 14 -14.132 -4.453 2.995 1.00 0.00 C ATOM 221 CG HIS A 14 -13.802 -5.654 2.131 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.751 -5.679 0.754 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.414 -6.892 2.574 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.366 -6.908 0.377 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.134 -7.687 1.452 1.00 0.00 N ATOM 0 H HIS A 14 -14.154 -2.279 4.218 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.654 -4.603 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.897 -4.732 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.556 -3.668 2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.337 -7.201 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.257 -7.229 -0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.819 -8.657 1.450 1.00 0.00 H new ATOM 233 N CYS A 15 -11.722 -2.691 2.008 1.00 0.00 N ATOM 234 CA CYS A 15 -10.633 -2.462 1.098 1.00 0.00 C ATOM 235 C CYS A 15 -9.310 -2.467 1.868 1.00 0.00 C ATOM 236 O CYS A 15 -8.366 -3.097 1.396 1.00 0.00 O ATOM 237 CB CYS A 15 -10.852 -1.183 0.286 1.00 0.00 C ATOM 238 SG CYS A 15 -12.441 -1.205 -0.583 1.00 0.00 S ATOM 0 H CYS A 15 -12.452 -1.979 1.991 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.589 -3.272 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.812 -0.319 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.044 -1.068 -0.436 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.462 -0.257 -1.472 1.00 0.00 H new ATOM 244 N LYS A 16 -9.168 -1.762 3.005 1.00 0.00 N ATOM 245 CA LYS A 16 -7.863 -1.629 3.687 1.00 0.00 C ATOM 246 C LYS A 16 -7.242 -2.991 3.980 1.00 0.00 C ATOM 247 O LYS A 16 -6.038 -3.169 3.771 1.00 0.00 O ATOM 248 CB LYS A 16 -7.999 -0.800 4.966 1.00 0.00 C ATOM 249 CG LYS A 16 -6.616 -0.409 5.510 1.00 0.00 C ATOM 250 CD LYS A 16 -6.692 0.406 6.807 1.00 0.00 C ATOM 251 CE LYS A 16 -6.040 -0.319 7.988 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.905 -1.358 8.591 1.00 0.00 N ATOM 0 H LYS A 16 -9.935 -1.277 3.471 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.189 -1.103 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.582 0.098 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.543 -1.370 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.033 -1.312 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.084 0.169 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.201 1.368 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.736 0.614 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.111 -0.780 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.776 0.412 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.405 -1.809 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.782 -0.920 8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.137 -2.075 7.875 1.00 0.00 H new ATOM 266 N MET A 17 -8.065 -3.965 4.379 1.00 0.00 N ATOM 267 CA MET A 17 -7.650 -5.341 4.566 1.00 0.00 C ATOM 268 C MET A 17 -6.893 -5.865 3.356 1.00 0.00 C ATOM 269 O MET A 17 -5.880 -6.529 3.534 1.00 0.00 O ATOM 270 CB MET A 17 -8.872 -6.239 4.818 1.00 0.00 C ATOM 271 CG MET A 17 -8.726 -7.015 6.124 1.00 0.00 C ATOM 272 SD MET A 17 -9.454 -8.678 6.108 1.00 0.00 S ATOM 273 CE MET A 17 -11.178 -8.290 5.694 1.00 0.00 C ATOM 0 H MET A 17 -9.052 -3.808 4.582 1.00 0.00 H new ATOM 0 HA MET A 17 -6.987 -5.364 5.431 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.774 -5.628 4.854 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.991 -6.936 3.989 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.666 -7.100 6.363 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.188 -6.439 6.926 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.779 -9.198 5.751 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.565 -7.554 6.399 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.227 -7.885 4.683 1.00 0.00 H new ATOM 283 N ARG A 18 -7.343 -5.565 2.133 1.00 0.00 N ATOM 284 CA ARG A 18 -6.722 -6.049 0.908 1.00 0.00 C ATOM 285 C ARG A 18 -5.248 -5.689 0.864 1.00 0.00 C ATOM 286 O ARG A 18 -4.441 -6.530 0.482 1.00 0.00 O ATOM 287 CB ARG A 18 -7.458 -5.512 -0.335 1.00 0.00 C ATOM 288 CG ARG A 18 -8.921 -5.983 -0.390 1.00 0.00 C ATOM 289 CD ARG A 18 -9.236 -6.656 -1.733 1.00 0.00 C ATOM 290 NE ARG A 18 -10.185 -7.768 -1.607 1.00 0.00 N ATOM 291 CZ ARG A 18 -9.883 -9.057 -1.403 1.00 0.00 C ATOM 292 NH1 ARG A 18 -8.633 -9.489 -1.264 1.00 0.00 N ATOM 293 NH2 ARG A 18 -10.881 -9.927 -1.331 1.00 0.00 N ATOM 0 H ARG A 18 -8.157 -4.973 1.970 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.801 -7.136 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.428 -4.422 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.938 -5.841 -1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.112 -6.682 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.586 -5.132 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.644 -5.913 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.310 -7.024 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.175 -7.536 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.857 -8.829 -1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.450 -10.481 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.844 -9.607 -1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.685 -10.916 -1.176 1.00 0.00 H new ATOM 307 N ILE A 19 -4.883 -4.474 1.286 1.00 0.00 N ATOM 308 CA ILE A 19 -3.498 -4.068 1.251 1.00 0.00 C ATOM 309 C ILE A 19 -2.774 -4.829 2.340 1.00 0.00 C ATOM 310 O ILE A 19 -1.852 -5.552 2.008 1.00 0.00 O ATOM 311 CB ILE A 19 -3.383 -2.534 1.306 1.00 0.00 C ATOM 312 CG1 ILE A 19 -3.852 -1.979 -0.054 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.957 -2.040 1.564 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.279 -1.496 0.005 1.00 0.00 C ATOM 0 H ILE A 19 -5.527 -3.771 1.649 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.009 -4.324 0.311 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.996 -2.186 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.202 -1.158 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.761 -2.754 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.949 -0.950 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.605 -2.429 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.301 -2.389 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.574 -1.112 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.932 -2.324 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.364 -0.703 0.748 1.00 0.00 H new ATOM 326 N SER A 20 -3.178 -4.741 3.608 1.00 0.00 N ATOM 327 CA SER A 20 -2.459 -5.424 4.686 1.00 0.00 C ATOM 328 C SER A 20 -2.295 -6.901 4.423 1.00 0.00 C ATOM 329 O SER A 20 -1.236 -7.440 4.700 1.00 0.00 O ATOM 330 CB SER A 20 -3.219 -5.270 5.967 1.00 0.00 C ATOM 331 OG SER A 20 -2.514 -5.653 7.125 1.00 0.00 O ATOM 0 H SER A 20 -3.993 -4.208 3.913 1.00 0.00 H new ATOM 0 HA SER A 20 -1.470 -4.969 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.520 -4.228 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.133 -5.861 5.904 1.00 0.00 H new ATOM 0 HG SER A 20 -3.081 -5.519 7.913 1.00 0.00 H new ATOM 337 N LYS A 21 -3.316 -7.555 3.871 1.00 0.00 N ATOM 338 CA LYS A 21 -3.237 -8.970 3.606 1.00 0.00 C ATOM 339 C LYS A 21 -2.032 -9.221 2.700 1.00 0.00 C ATOM 340 O LYS A 21 -1.139 -10.002 3.038 1.00 0.00 O ATOM 341 CB LYS A 21 -4.515 -9.455 2.892 1.00 0.00 C ATOM 342 CG LYS A 21 -5.732 -9.712 3.786 1.00 0.00 C ATOM 343 CD LYS A 21 -5.717 -11.057 4.522 1.00 0.00 C ATOM 344 CE LYS A 21 -5.948 -12.292 3.633 1.00 0.00 C ATOM 345 NZ LYS A 21 -4.726 -12.791 2.966 1.00 0.00 N ATOM 0 H LYS A 21 -4.199 -7.120 3.604 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.135 -9.512 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.791 -8.714 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.281 -10.376 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.799 -8.911 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.632 -9.659 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.757 -11.167 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.484 -11.038 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.369 -13.092 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.690 -12.046 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.689 -12.428 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.888 -12.466 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.740 -13.831 2.948 1.00 0.00 H new ATOM 359 N ALA A 22 -2.042 -8.511 1.571 1.00 0.00 N ATOM 360 CA ALA A 22 -1.043 -8.543 0.530 1.00 0.00 C ATOM 361 C ALA A 22 0.316 -8.040 1.021 1.00 0.00 C ATOM 362 O ALA A 22 1.335 -8.448 0.479 1.00 0.00 O ATOM 363 CB ALA A 22 -1.562 -7.704 -0.644 1.00 0.00 C ATOM 0 H ALA A 22 -2.799 -7.862 1.357 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.880 -9.573 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.826 -7.709 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.499 -8.126 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.730 -6.679 -0.313 1.00 0.00 H new ATOM 369 N LEU A 23 0.353 -7.146 2.013 1.00 0.00 N ATOM 370 CA LEU A 23 1.543 -6.564 2.600 1.00 0.00 C ATOM 371 C LEU A 23 2.195 -7.560 3.552 1.00 0.00 C ATOM 372 O LEU A 23 3.388 -7.827 3.456 1.00 0.00 O ATOM 373 CB LEU A 23 1.137 -5.270 3.333 1.00 0.00 C ATOM 374 CG LEU A 23 0.956 -4.035 2.438 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.897 -2.811 3.346 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.049 -3.840 1.384 1.00 0.00 C ATOM 0 H LEU A 23 -0.501 -6.795 2.446 1.00 0.00 H new ATOM 0 HA LEU A 23 2.273 -6.324 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.203 -5.452 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.894 -5.045 4.084 1.00 0.00 H new ATOM 0 HG LEU A 23 0.037 -4.181 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.769 -1.914 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.057 -2.908 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.824 -2.735 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.836 -2.944 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.015 -3.731 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.075 -4.706 0.722 1.00 0.00 H new ATOM 388 N GLU A 24 1.442 -8.093 4.502 1.00 0.00 N ATOM 389 CA GLU A 24 1.955 -9.030 5.486 1.00 0.00 C ATOM 390 C GLU A 24 2.551 -10.274 4.815 1.00 0.00 C ATOM 391 O GLU A 24 3.666 -10.685 5.143 1.00 0.00 O ATOM 392 CB GLU A 24 0.842 -9.359 6.482 1.00 0.00 C ATOM 393 CG GLU A 24 0.575 -8.154 7.397 1.00 0.00 C ATOM 394 CD GLU A 24 0.115 -8.611 8.775 1.00 0.00 C ATOM 395 OE1 GLU A 24 -1.028 -9.109 8.905 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.900 -8.500 9.744 1.00 0.00 O ATOM 0 H GLU A 24 0.450 -7.885 4.611 1.00 0.00 H new ATOM 0 HA GLU A 24 2.779 -8.577 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.068 -9.626 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.125 -10.224 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.481 -7.556 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.185 -7.513 6.949 1.00 0.00 H new ATOM 403 N GLU A 25 1.872 -10.845 3.814 1.00 0.00 N ATOM 404 CA GLU A 25 2.448 -11.968 3.070 1.00 0.00 C ATOM 405 C GLU A 25 3.696 -11.549 2.313 1.00 0.00 C ATOM 406 O GLU A 25 4.633 -12.336 2.136 1.00 0.00 O ATOM 407 CB GLU A 25 1.430 -12.552 2.096 1.00 0.00 C ATOM 408 CG GLU A 25 0.996 -11.680 0.921 1.00 0.00 C ATOM 409 CD GLU A 25 -0.078 -12.372 0.082 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.300 -13.260 -0.715 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.270 -12.001 0.120 1.00 0.00 O ATOM 0 H GLU A 25 0.944 -10.556 3.506 1.00 0.00 H new ATOM 0 HA GLU A 25 2.724 -12.731 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.842 -13.477 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.538 -12.820 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.614 -10.729 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.859 -11.453 0.295 1.00 0.00 H new ATOM 418 N LEU A 26 3.727 -10.294 1.863 1.00 0.00 N ATOM 419 CA LEU A 26 4.806 -9.792 1.059 1.00 0.00 C ATOM 420 C LEU A 26 6.093 -9.699 1.896 1.00 0.00 C ATOM 421 O LEU A 26 7.195 -9.674 1.345 1.00 0.00 O ATOM 422 CB LEU A 26 4.363 -8.448 0.457 1.00 0.00 C ATOM 423 CG LEU A 26 5.427 -7.600 -0.226 1.00 0.00 C ATOM 424 CD1 LEU A 26 6.021 -8.233 -1.488 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.829 -6.245 -0.604 1.00 0.00 C ATOM 0 H LEU A 26 2.997 -9.608 2.054 1.00 0.00 H new ATOM 0 HA LEU A 26 5.040 -10.467 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.575 -8.648 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.918 -7.852 1.254 1.00 0.00 H new ATOM 0 HG LEU A 26 6.239 -7.503 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.770 -7.565 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.487 -9.185 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.229 -8.401 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.589 -5.636 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.990 -6.394 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.481 -5.737 0.295 1.00 0.00 H new ATOM 437 N GLY A 27 5.991 -9.750 3.230 1.00 0.00 N ATOM 438 CA GLY A 27 7.134 -9.667 4.129 1.00 0.00 C ATOM 439 C GLY A 27 7.574 -8.221 4.292 1.00 0.00 C ATOM 440 O GLY A 27 8.768 -7.939 4.387 1.00 0.00 O ATOM 0 H GLY A 27 5.099 -9.851 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.872 -10.086 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.958 -10.263 3.736 1.00 0.00 H new ATOM 444 N VAL A 28 6.609 -7.306 4.276 1.00 0.00 N ATOM 445 CA VAL A 28 6.706 -5.989 4.882 1.00 0.00 C ATOM 446 C VAL A 28 7.076 -6.153 6.367 1.00 0.00 C ATOM 447 O VAL A 28 6.885 -7.223 6.945 1.00 0.00 O ATOM 448 CB VAL A 28 5.315 -5.349 4.679 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.290 -5.991 5.626 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.264 -3.827 4.795 1.00 0.00 C ATOM 0 H VAL A 28 5.709 -7.470 3.825 1.00 0.00 H new ATOM 0 HA VAL A 28 7.476 -5.355 4.441 1.00 0.00 H new ATOM 0 HB VAL A 28 5.063 -5.556 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.314 -5.530 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.224 -7.059 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.604 -5.839 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.242 -3.484 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.597 -3.526 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.917 -3.383 4.044 1.00 0.00 H new ATOM 460 N LYS A 29 7.504 -5.076 7.024 1.00 0.00 N ATOM 461 CA LYS A 29 7.655 -5.008 8.454 1.00 0.00 C ATOM 462 C LYS A 29 6.906 -3.856 9.077 1.00 0.00 C ATOM 463 O LYS A 29 6.452 -3.961 10.208 1.00 0.00 O ATOM 464 CB LYS A 29 9.148 -4.960 8.736 1.00 0.00 C ATOM 465 CG LYS A 29 9.908 -3.633 8.513 1.00 0.00 C ATOM 466 CD LYS A 29 11.300 -3.877 7.912 1.00 0.00 C ATOM 467 CE LYS A 29 11.225 -3.784 6.386 1.00 0.00 C ATOM 468 NZ LYS A 29 12.242 -4.613 5.716 1.00 0.00 N ATOM 0 H LYS A 29 7.759 -4.209 6.551 1.00 0.00 H new ATOM 0 HA LYS A 29 7.208 -5.887 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.297 -5.254 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.625 -5.721 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.331 -2.989 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.007 -3.105 9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.007 -3.142 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.668 -4.859 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.234 -4.094 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.352 -2.745 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.147 -4.513 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.191 -4.302 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.107 -5.610 5.981 1.00 0.00 H new ATOM 482 N ASN A 30 6.763 -2.756 8.353 1.00 0.00 N ATOM 483 CA ASN A 30 6.302 -1.493 8.872 1.00 0.00 C ATOM 484 C ASN A 30 5.510 -0.869 7.743 1.00 0.00 C ATOM 485 O ASN A 30 6.053 -0.707 6.641 1.00 0.00 O ATOM 486 CB ASN A 30 7.502 -0.601 9.243 1.00 0.00 C ATOM 487 CG ASN A 30 7.975 -0.755 10.680 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.238 -1.164 11.567 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.231 -0.424 10.929 1.00 0.00 N ATOM 0 H ASN A 30 6.974 -2.725 7.355 1.00 0.00 H new ATOM 0 HA ASN A 30 5.702 -1.613 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.331 -0.830 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.232 0.441 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.602 -0.508 11.875 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.828 -0.085 10.175 1.00 0.00 H new ATOM 496 N TYR A 31 4.236 -0.587 7.982 1.00 0.00 N ATOM 497 CA TYR A 31 3.284 -0.072 7.019 1.00 0.00 C ATOM 498 C TYR A 31 2.134 0.579 7.753 1.00 0.00 C ATOM 499 O TYR A 31 1.785 0.213 8.876 1.00 0.00 O ATOM 500 CB TYR A 31 2.860 -1.180 6.072 1.00 0.00 C ATOM 501 CG TYR A 31 2.031 -2.289 6.688 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.649 -3.402 7.285 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.628 -2.190 6.685 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.871 -4.398 7.895 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.158 -3.202 7.244 1.00 0.00 C ATOM 506 CZ TYR A 31 0.464 -4.298 7.884 1.00 0.00 C ATOM 507 OH TYR A 31 -0.277 -5.249 8.507 1.00 0.00 O ATOM 0 H TYR A 31 3.821 -0.720 8.904 1.00 0.00 H new ATOM 0 HA TYR A 31 3.736 0.701 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.291 -0.737 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.755 -1.621 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.725 -3.491 7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.154 -1.324 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.349 -5.240 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.235 -3.147 7.187 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.103 -5.402 8.003 1.00 0.00 H new ATOM 517 N GLU A 32 1.566 1.569 7.087 1.00 0.00 N ATOM 518 CA GLU A 32 0.595 2.474 7.670 1.00 0.00 C ATOM 519 C GLU A 32 -0.381 2.972 6.602 1.00 0.00 C ATOM 520 O GLU A 32 -0.043 3.825 5.777 1.00 0.00 O ATOM 521 CB GLU A 32 1.327 3.603 8.426 1.00 0.00 C ATOM 522 CG GLU A 32 0.876 3.661 9.891 1.00 0.00 C ATOM 523 CD GLU A 32 -0.576 4.108 9.993 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.484 3.297 9.712 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.814 5.318 10.221 1.00 0.00 O ATOM 0 H GLU A 32 1.771 1.769 6.108 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.016 1.952 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.404 3.439 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.128 4.559 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.992 2.680 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.513 4.350 10.445 1.00 0.00 H new ATOM 532 N VAL A 33 -1.587 2.411 6.600 1.00 0.00 N ATOM 533 CA VAL A 33 -2.669 2.681 5.663 1.00 0.00 C ATOM 534 C VAL A 33 -3.761 3.515 6.348 1.00 0.00 C ATOM 535 O VAL A 33 -4.026 3.347 7.539 1.00 0.00 O ATOM 536 CB VAL A 33 -3.160 1.355 5.012 1.00 0.00 C ATOM 537 CG1 VAL A 33 -3.289 0.209 6.015 1.00 0.00 C ATOM 538 CG2 VAL A 33 -4.324 1.658 4.065 1.00 0.00 C ATOM 0 H VAL A 33 -1.849 1.713 7.296 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.318 3.293 4.832 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.401 0.925 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.635 -0.688 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.319 0.014 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.006 0.482 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.671 0.732 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.140 2.113 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.991 2.345 3.287 1.00 0.00 H new ATOM 548 N SER A 34 -4.420 4.397 5.590 1.00 0.00 N ATOM 549 CA SER A 34 -5.535 5.231 6.010 1.00 0.00 C ATOM 550 C SER A 34 -6.660 5.119 4.982 1.00 0.00 C ATOM 551 O SER A 34 -6.426 5.282 3.779 1.00 0.00 O ATOM 552 CB SER A 34 -5.060 6.681 6.134 1.00 0.00 C ATOM 553 OG SER A 34 -6.162 7.535 6.369 1.00 0.00 O ATOM 0 H SER A 34 -4.170 4.552 4.613 1.00 0.00 H new ATOM 0 HA SER A 34 -5.910 4.900 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.342 6.768 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.545 6.982 5.222 1.00 0.00 H new ATOM 0 HG SER A 34 -5.913 8.216 7.028 1.00 0.00 H new ATOM 559 N VAL A 35 -7.876 4.872 5.471 1.00 0.00 N ATOM 560 CA VAL A 35 -9.107 4.878 4.689 1.00 0.00 C ATOM 561 C VAL A 35 -9.544 6.318 4.428 1.00 0.00 C ATOM 562 O VAL A 35 -10.025 6.634 3.337 1.00 0.00 O ATOM 563 CB VAL A 35 -10.183 4.055 5.446 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.601 4.133 4.859 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.786 2.570 5.517 1.00 0.00 C ATOM 0 H VAL A 35 -8.033 4.655 6.455 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.953 4.412 3.716 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.217 4.515 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.277 3.524 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.941 5.168 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.592 3.762 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.555 2.013 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.685 2.172 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.836 2.472 6.042 1.00 0.00 H new ATOM 575 N GLU A 36 -9.360 7.219 5.394 1.00 0.00 N ATOM 576 CA GLU A 36 -9.762 8.608 5.223 1.00 0.00 C ATOM 577 C GLU A 36 -8.881 9.260 4.156 1.00 0.00 C ATOM 578 O GLU A 36 -9.390 9.904 3.237 1.00 0.00 O ATOM 579 CB GLU A 36 -9.760 9.344 6.572 1.00 0.00 C ATOM 580 CG GLU A 36 -10.847 8.751 7.495 1.00 0.00 C ATOM 581 CD GLU A 36 -11.061 9.542 8.788 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.070 9.844 9.488 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.230 9.866 9.119 1.00 0.00 O ATOM 0 H GLU A 36 -8.937 7.009 6.298 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.790 8.667 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.781 9.254 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.943 10.407 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.789 8.705 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.575 7.726 7.748 1.00 0.00 H new ATOM 590 N GLU A 37 -7.569 9.017 4.190 1.00 0.00 N ATOM 591 CA GLU A 37 -6.657 9.652 3.243 1.00 0.00 C ATOM 592 C GLU A 37 -6.591 8.895 1.917 1.00 0.00 C ATOM 593 O GLU A 37 -6.177 9.479 0.921 1.00 0.00 O ATOM 594 CB GLU A 37 -5.231 9.758 3.806 1.00 0.00 C ATOM 595 CG GLU A 37 -5.123 10.517 5.129 1.00 0.00 C ATOM 596 CD GLU A 37 -5.396 12.013 5.009 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.441 12.789 4.792 1.00 0.00 O ATOM 598 OE2 GLU A 37 -6.549 12.450 5.199 1.00 0.00 O ATOM 0 H GLU A 37 -7.120 8.390 4.858 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.059 10.651 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.834 8.752 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.599 10.250 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.826 10.086 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.123 10.372 5.539 1.00 0.00 H new ATOM 605 N LYS A 38 -7.011 7.623 1.856 1.00 0.00 N ATOM 606 CA LYS A 38 -6.639 6.700 0.781 1.00 0.00 C ATOM 607 C LYS A 38 -5.131 6.741 0.520 1.00 0.00 C ATOM 608 O LYS A 38 -4.676 6.925 -0.611 1.00 0.00 O ATOM 609 CB LYS A 38 -7.493 6.949 -0.470 1.00 0.00 C ATOM 610 CG LYS A 38 -8.940 6.495 -0.254 1.00 0.00 C ATOM 611 CD LYS A 38 -9.953 7.472 -0.862 1.00 0.00 C ATOM 612 CE LYS A 38 -10.353 8.534 0.170 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.298 9.529 0.449 1.00 0.00 N ATOM 0 H LYS A 38 -7.623 7.206 2.558 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.857 5.679 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.476 8.010 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.064 6.415 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.079 5.509 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.131 6.395 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.523 7.953 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.837 6.929 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.243 9.053 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.624 8.037 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.118 9.566 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.425 9.257 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.607 10.465 0.118 1.00 0.00 H new ATOM 627 N LYS A 39 -4.347 6.563 1.587 1.00 0.00 N ATOM 628 CA LYS A 39 -2.891 6.520 1.513 1.00 0.00 C ATOM 629 C LYS A 39 -2.376 5.301 2.253 1.00 0.00 C ATOM 630 O LYS A 39 -3.056 4.760 3.125 1.00 0.00 O ATOM 631 CB LYS A 39 -2.266 7.822 2.039 1.00 0.00 C ATOM 632 CG LYS A 39 -2.483 8.976 1.044 1.00 0.00 C ATOM 633 CD LYS A 39 -1.552 10.180 1.227 1.00 0.00 C ATOM 634 CE LYS A 39 -1.524 10.703 2.661 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.781 11.972 2.769 1.00 0.00 N ATOM 0 H LYS A 39 -4.712 6.444 2.532 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.592 6.434 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.707 8.079 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.199 7.676 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.357 8.590 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.514 9.318 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.542 9.899 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.869 10.982 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.545 10.849 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.065 9.957 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.785 12.294 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.200 11.827 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.233 12.691 2.169 1.00 0.00 H new ATOM 649 N VAL A 40 -1.175 4.869 1.888 1.00 0.00 N ATOM 650 CA VAL A 40 -0.457 3.702 2.382 1.00 0.00 C ATOM 651 C VAL A 40 0.979 4.184 2.486 1.00 0.00 C ATOM 652 O VAL A 40 1.468 4.807 1.544 1.00 0.00 O ATOM 653 CB VAL A 40 -0.584 2.542 1.361 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.288 1.301 1.584 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.010 2.012 1.249 1.00 0.00 C ATOM 0 H VAL A 40 -0.635 5.367 1.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.836 3.323 3.331 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.234 3.046 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.094 0.574 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.340 1.587 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.051 0.859 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.041 1.202 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.337 1.640 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.672 2.815 0.926 1.00 0.00 H new ATOM 665 N VAL A 41 1.671 3.846 3.566 1.00 0.00 N ATOM 666 CA VAL A 41 3.124 3.799 3.566 1.00 0.00 C ATOM 667 C VAL A 41 3.500 2.325 3.544 1.00 0.00 C ATOM 668 O VAL A 41 2.819 1.509 4.181 1.00 0.00 O ATOM 669 CB VAL A 41 3.734 4.543 4.777 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.235 4.821 4.591 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.085 5.910 5.009 1.00 0.00 C ATOM 0 H VAL A 41 1.244 3.599 4.459 1.00 0.00 H new ATOM 0 HA VAL A 41 3.529 4.315 2.696 1.00 0.00 H new ATOM 0 HB VAL A 41 3.557 3.877 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.619 5.345 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.767 3.878 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.384 5.438 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.549 6.391 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.225 6.534 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.019 5.780 5.196 1.00 0.00 H new ATOM 681 N VAL A 42 4.570 1.986 2.831 1.00 0.00 N ATOM 682 CA VAL A 42 5.391 0.837 3.189 1.00 0.00 C ATOM 683 C VAL A 42 6.822 1.308 3.426 1.00 0.00 C ATOM 684 O VAL A 42 7.373 2.076 2.637 1.00 0.00 O ATOM 685 CB VAL A 42 5.340 -0.261 2.113 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.020 -1.036 2.183 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.512 0.262 0.678 1.00 0.00 C ATOM 0 H VAL A 42 4.887 2.491 2.003 1.00 0.00 H new ATOM 0 HA VAL A 42 4.996 0.393 4.103 1.00 0.00 H new ATOM 0 HB VAL A 42 6.187 -0.910 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.009 -1.806 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.923 -1.502 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.187 -0.351 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.464 -0.573 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.716 0.971 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.478 0.759 0.585 1.00 0.00 H new ATOM 697 N GLU A 43 7.426 0.825 4.505 1.00 0.00 N ATOM 698 CA GLU A 43 8.814 1.064 4.870 1.00 0.00 C ATOM 699 C GLU A 43 9.635 -0.159 4.436 1.00 0.00 C ATOM 700 O GLU A 43 9.990 -1.003 5.259 1.00 0.00 O ATOM 701 CB GLU A 43 8.880 1.321 6.382 1.00 0.00 C ATOM 702 CG GLU A 43 10.236 1.818 6.906 1.00 0.00 C ATOM 703 CD GLU A 43 10.394 1.507 8.405 1.00 0.00 C ATOM 704 OE1 GLU A 43 9.812 2.231 9.247 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.089 0.523 8.771 1.00 0.00 O ATOM 0 H GLU A 43 6.940 0.231 5.177 1.00 0.00 H new ATOM 0 HA GLU A 43 9.230 1.940 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.117 2.055 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.625 0.398 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.042 1.345 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.322 2.892 6.743 1.00 0.00 H new ATOM 712 N THR A 44 9.879 -0.328 3.140 1.00 0.00 N ATOM 713 CA THR A 44 10.589 -1.479 2.585 1.00 0.00 C ATOM 714 C THR A 44 11.748 -1.001 1.704 1.00 0.00 C ATOM 715 O THR A 44 11.850 0.178 1.362 1.00 0.00 O ATOM 716 CB THR A 44 9.575 -2.389 1.854 1.00 0.00 C ATOM 717 OG1 THR A 44 10.169 -3.584 1.366 1.00 0.00 O ATOM 718 CG2 THR A 44 8.917 -1.687 0.666 1.00 0.00 C ATOM 0 H THR A 44 9.584 0.343 2.431 1.00 0.00 H new ATOM 0 HA THR A 44 11.043 -2.081 3.372 1.00 0.00 H new ATOM 0 HB THR A 44 8.826 -2.630 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.489 -4.126 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.213 -2.367 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.385 -0.802 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.683 -1.391 -0.051 1.00 0.00 H new ATOM 726 N GLU A 45 12.615 -1.926 1.295 1.00 0.00 N ATOM 727 CA GLU A 45 13.525 -1.729 0.175 1.00 0.00 C ATOM 728 C GLU A 45 12.837 -2.055 -1.153 1.00 0.00 C ATOM 729 O GLU A 45 13.030 -1.329 -2.128 1.00 0.00 O ATOM 730 CB GLU A 45 14.787 -2.587 0.363 1.00 0.00 C ATOM 731 CG GLU A 45 15.979 -1.716 0.769 1.00 0.00 C ATOM 732 CD GLU A 45 17.173 -2.584 1.143 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.221 -3.059 2.308 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.088 -2.791 0.316 1.00 0.00 O ATOM 0 H GLU A 45 12.704 -2.841 1.738 1.00 0.00 H new ATOM 0 HA GLU A 45 13.819 -0.680 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.607 -3.344 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.015 -3.115 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.248 -1.052 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.704 -1.083 1.613 1.00 0.00 H new ATOM 741 N ASN A 46 12.071 -3.152 -1.234 1.00 0.00 N ATOM 742 CA ASN A 46 11.768 -3.784 -2.525 1.00 0.00 C ATOM 743 C ASN A 46 10.420 -3.322 -3.068 1.00 0.00 C ATOM 744 O ASN A 46 9.517 -4.118 -3.337 1.00 0.00 O ATOM 745 CB ASN A 46 11.908 -5.317 -2.437 1.00 0.00 C ATOM 746 CG ASN A 46 12.537 -5.917 -3.690 1.00 0.00 C ATOM 747 OD1 ASN A 46 13.410 -6.770 -3.576 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.165 -5.491 -4.887 1.00 0.00 N ATOM 0 H ASN A 46 11.653 -3.617 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 46 12.507 -3.455 -3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.516 -5.574 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.925 -5.760 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.606 -5.873 -5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.438 -4.781 -4.972 1.00 0.00 H new ATOM 755 N LEU A 47 10.295 -2.007 -3.216 1.00 0.00 N ATOM 756 CA LEU A 47 9.065 -1.319 -3.565 1.00 0.00 C ATOM 757 C LEU A 47 8.425 -1.815 -4.862 1.00 0.00 C ATOM 758 O LEU A 47 7.209 -1.962 -4.886 1.00 0.00 O ATOM 759 CB LEU A 47 9.358 0.175 -3.652 1.00 0.00 C ATOM 760 CG LEU A 47 8.115 1.007 -4.024 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.027 0.974 -2.941 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.548 2.437 -4.275 1.00 0.00 C ATOM 0 H LEU A 47 11.081 -1.370 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 47 8.336 -1.532 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.748 0.521 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.139 0.345 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 47 7.675 0.568 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.177 1.578 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.702 -0.054 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.428 1.375 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.679 3.039 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.009 2.841 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.268 2.461 -5.093 1.00 0.00 H new ATOM 774 N ASP A 48 9.197 -2.097 -5.917 1.00 0.00 N ATOM 775 CA ASP A 48 8.648 -2.551 -7.206 1.00 0.00 C ATOM 776 C ASP A 48 7.791 -3.806 -7.020 1.00 0.00 C ATOM 777 O ASP A 48 6.724 -3.937 -7.626 1.00 0.00 O ATOM 778 CB ASP A 48 9.787 -2.805 -8.202 1.00 0.00 C ATOM 779 CG ASP A 48 9.339 -3.536 -9.469 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.636 -2.950 -10.327 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.770 -4.694 -9.648 1.00 0.00 O ATOM 0 H ASP A 48 10.214 -2.019 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 48 8.005 -1.768 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.234 -1.851 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.565 -3.390 -7.711 1.00 0.00 H new ATOM 786 N SER A 49 8.210 -4.679 -6.099 1.00 0.00 N ATOM 787 CA SER A 49 7.461 -5.860 -5.719 1.00 0.00 C ATOM 788 C SER A 49 6.126 -5.486 -5.069 1.00 0.00 C ATOM 789 O SER A 49 5.111 -6.101 -5.384 1.00 0.00 O ATOM 790 CB SER A 49 8.310 -6.765 -4.834 1.00 0.00 C ATOM 791 OG SER A 49 8.431 -8.035 -5.434 1.00 0.00 O ATOM 0 H SER A 49 9.091 -4.576 -5.596 1.00 0.00 H new ATOM 0 HA SER A 49 7.216 -6.424 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.297 -6.325 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.853 -6.859 -3.849 1.00 0.00 H new ATOM 0 HG SER A 49 8.979 -8.615 -4.865 1.00 0.00 H new ATOM 797 N VAL A 50 6.098 -4.467 -4.201 1.00 0.00 N ATOM 798 CA VAL A 50 4.882 -3.968 -3.561 1.00 0.00 C ATOM 799 C VAL A 50 3.926 -3.407 -4.621 1.00 0.00 C ATOM 800 O VAL A 50 2.725 -3.646 -4.548 1.00 0.00 O ATOM 801 CB VAL A 50 5.183 -2.851 -2.533 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.951 -2.589 -1.655 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.398 -3.026 -1.609 1.00 0.00 C ATOM 0 H VAL A 50 6.937 -3.959 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 50 4.428 -4.809 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 50 5.444 -2.011 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.177 -1.801 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.116 -2.279 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.684 -3.501 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.478 -2.164 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.275 -3.931 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.304 -3.107 -2.210 1.00 0.00 H new ATOM 813 N LEU A 51 4.427 -2.620 -5.578 1.00 0.00 N ATOM 814 CA LEU A 51 3.586 -1.949 -6.573 1.00 0.00 C ATOM 815 C LEU A 51 2.882 -2.987 -7.446 1.00 0.00 C ATOM 816 O LEU A 51 1.688 -2.854 -7.717 1.00 0.00 O ATOM 817 CB LEU A 51 4.426 -0.988 -7.429 1.00 0.00 C ATOM 818 CG LEU A 51 5.051 0.186 -6.654 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.050 0.920 -7.548 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.002 1.170 -6.124 1.00 0.00 C ATOM 0 H LEU A 51 5.424 -2.431 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 51 2.828 -1.361 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.224 -1.554 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.797 -0.587 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 51 5.561 -0.234 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.490 1.750 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.837 0.231 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.536 1.302 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.499 1.977 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.437 1.584 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.322 0.649 -5.449 1.00 0.00 H new ATOM 832 N LYS A 52 3.596 -4.058 -7.807 1.00 0.00 N ATOM 833 CA LYS A 52 3.025 -5.249 -8.427 1.00 0.00 C ATOM 834 C LYS A 52 2.026 -5.913 -7.490 1.00 0.00 C ATOM 835 O LYS A 52 0.923 -6.237 -7.910 1.00 0.00 O ATOM 836 CB LYS A 52 4.143 -6.240 -8.774 1.00 0.00 C ATOM 837 CG LYS A 52 4.869 -5.890 -10.085 1.00 0.00 C ATOM 838 CD LYS A 52 4.566 -6.884 -11.211 1.00 0.00 C ATOM 839 CE LYS A 52 5.113 -8.271 -10.843 1.00 0.00 C ATOM 840 NZ LYS A 52 4.966 -9.252 -11.932 1.00 0.00 N ATOM 0 H LYS A 52 4.605 -4.118 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 52 2.506 -4.951 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.867 -6.263 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.721 -7.242 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.577 -4.889 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.944 -5.867 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.490 -6.940 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.017 -6.541 -12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.167 -8.182 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.594 -8.638 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.352 -10.169 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.959 -9.361 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.484 -8.920 -12.771 1.00 0.00 H new ATOM 854 N LYS A 53 2.397 -6.122 -6.225 1.00 0.00 N ATOM 855 CA LYS A 53 1.564 -6.796 -5.233 1.00 0.00 C ATOM 856 C LYS A 53 0.234 -6.068 -5.003 1.00 0.00 C ATOM 857 O LYS A 53 -0.720 -6.691 -4.544 1.00 0.00 O ATOM 858 CB LYS A 53 2.371 -6.953 -3.930 1.00 0.00 C ATOM 859 CG LYS A 53 1.788 -7.938 -2.918 1.00 0.00 C ATOM 860 CD LYS A 53 1.893 -9.389 -3.387 1.00 0.00 C ATOM 861 CE LYS A 53 1.421 -10.316 -2.270 1.00 0.00 C ATOM 862 NZ LYS A 53 1.450 -11.727 -2.695 1.00 0.00 N ATOM 0 H LYS A 53 3.300 -5.822 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 53 1.295 -7.784 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.382 -7.273 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.456 -5.976 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.309 -7.828 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.741 -7.692 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.287 -9.539 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.923 -9.622 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.056 -10.185 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.408 -10.044 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.306 -12.342 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.694 -11.896 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.371 -11.940 -3.128 1.00 0.00 H new ATOM 876 N LEU A 54 0.167 -4.769 -5.294 1.00 0.00 N ATOM 877 CA LEU A 54 -1.043 -3.963 -5.295 1.00 0.00 C ATOM 878 C LEU A 54 -1.798 -4.106 -6.618 1.00 0.00 C ATOM 879 O LEU A 54 -3.009 -4.317 -6.618 1.00 0.00 O ATOM 880 CB LEU A 54 -0.629 -2.513 -5.030 1.00 0.00 C ATOM 881 CG LEU A 54 -0.566 -2.116 -3.543 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.886 -1.481 -3.096 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.192 -3.224 -2.540 1.00 0.00 C ATOM 0 H LEU A 54 0.995 -4.230 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.729 -4.300 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.350 -2.343 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.331 -1.852 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 54 0.263 -1.409 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.820 -1.208 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.080 -0.588 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.699 -2.194 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.183 -2.813 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.924 -4.029 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.797 -3.615 -2.781 1.00 0.00 H new ATOM 895 N GLU A 55 -1.107 -4.027 -7.750 1.00 0.00 N ATOM 896 CA GLU A 55 -1.703 -4.160 -9.067 1.00 0.00 C ATOM 897 C GLU A 55 -2.431 -5.510 -9.199 1.00 0.00 C ATOM 898 O GLU A 55 -3.573 -5.564 -9.662 1.00 0.00 O ATOM 899 CB GLU A 55 -0.564 -4.010 -10.079 1.00 0.00 C ATOM 900 CG GLU A 55 -1.075 -3.845 -11.505 1.00 0.00 C ATOM 901 CD GLU A 55 0.032 -4.134 -12.516 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.170 -3.641 -12.339 1.00 0.00 O ATOM 903 OE2 GLU A 55 -0.254 -4.896 -13.469 1.00 0.00 O ATOM 0 H GLU A 55 -0.100 -3.866 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.460 -3.396 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.045 -3.147 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.083 -4.885 -10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.914 -4.519 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.447 -2.831 -11.647 1.00 0.00 H new ATOM 910 N GLU A 56 -1.788 -6.588 -8.738 1.00 0.00 N ATOM 911 CA GLU A 56 -2.239 -7.974 -8.849 1.00 0.00 C ATOM 912 C GLU A 56 -3.419 -8.307 -7.928 1.00 0.00 C ATOM 913 O GLU A 56 -4.033 -9.362 -8.095 1.00 0.00 O ATOM 914 CB GLU A 56 -1.054 -8.930 -8.598 1.00 0.00 C ATOM 915 CG GLU A 56 -0.524 -8.948 -7.159 1.00 0.00 C ATOM 916 CD GLU A 56 -0.743 -10.255 -6.398 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.855 -10.526 -5.888 1.00 0.00 O ATOM 918 OE2 GLU A 56 0.232 -11.026 -6.221 1.00 0.00 O ATOM 0 H GLU A 56 -0.894 -6.510 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.611 -8.109 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.360 -9.941 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.238 -8.654 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.545 -8.734 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.000 -8.140 -6.604 1.00 0.00 H new ATOM 925 N ILE A 57 -3.756 -7.432 -6.970 1.00 0.00 N ATOM 926 CA ILE A 57 -4.983 -7.541 -6.174 1.00 0.00 C ATOM 927 C ILE A 57 -6.101 -6.677 -6.764 1.00 0.00 C ATOM 928 O ILE A 57 -7.173 -6.612 -6.160 1.00 0.00 O ATOM 929 CB ILE A 57 -4.750 -7.253 -4.672 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.277 -5.823 -4.378 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.770 -8.281 -4.108 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.569 -5.327 -2.961 1.00 0.00 C ATOM 0 H ILE A 57 -3.181 -6.626 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.307 -8.580 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.716 -7.341 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.202 -5.768 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.750 -5.146 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.603 -8.082 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.184 -9.282 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.823 -8.213 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.198 -4.308 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.644 -5.343 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.073 -5.975 -2.239 1.00 0.00 H new ATOM 944 N ASP A 58 -5.876 -6.082 -7.943 1.00 0.00 N ATOM 945 CA ASP A 58 -6.725 -5.137 -8.668 1.00 0.00 C ATOM 946 C ASP A 58 -6.707 -3.706 -8.116 1.00 0.00 C ATOM 947 O ASP A 58 -7.606 -2.930 -8.437 1.00 0.00 O ATOM 948 CB ASP A 58 -8.162 -5.661 -8.768 1.00 0.00 C ATOM 949 CG ASP A 58 -8.914 -5.054 -9.947 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.442 -5.224 -11.098 1.00 0.00 O ATOM 951 OD2 ASP A 58 -9.997 -4.463 -9.733 1.00 0.00 O ATOM 0 H ASP A 58 -5.015 -6.270 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.289 -5.068 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.145 -6.746 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.695 -5.435 -7.844 1.00 0.00 H new ATOM 956 N TYR A 59 -5.687 -3.319 -7.338 1.00 0.00 N ATOM 957 CA TYR A 59 -5.626 -2.020 -6.664 1.00 0.00 C ATOM 958 C TYR A 59 -4.467 -1.189 -7.246 1.00 0.00 C ATOM 959 O TYR A 59 -3.400 -1.102 -6.633 1.00 0.00 O ATOM 960 CB TYR A 59 -5.463 -2.189 -5.144 1.00 0.00 C ATOM 961 CG TYR A 59 -6.704 -2.556 -4.350 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.503 -3.657 -4.713 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.067 -1.778 -3.235 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.671 -3.966 -4.003 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.204 -2.121 -2.486 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.033 -3.190 -2.884 1.00 0.00 C ATOM 967 OH TYR A 59 -10.176 -3.463 -2.199 1.00 0.00 O ATOM 0 H TYR A 59 -4.873 -3.907 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.565 -1.494 -6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.710 -2.957 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.067 -1.257 -4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.211 -4.273 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.473 -0.920 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.291 -4.795 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.446 -1.560 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.629 -2.624 -1.972 1.00 0.00 H new ATOM 977 N PRO A 60 -4.639 -0.555 -8.416 1.00 0.00 N ATOM 978 CA PRO A 60 -3.613 0.267 -9.036 1.00 0.00 C ATOM 979 C PRO A 60 -3.323 1.490 -8.163 1.00 0.00 C ATOM 980 O PRO A 60 -4.211 2.315 -7.902 1.00 0.00 O ATOM 981 CB PRO A 60 -4.143 0.638 -10.426 1.00 0.00 C ATOM 982 CG PRO A 60 -5.657 0.499 -10.284 1.00 0.00 C ATOM 983 CD PRO A 60 -5.805 -0.631 -9.273 1.00 0.00 C ATOM 0 HA PRO A 60 -2.663 -0.257 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.858 1.652 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.750 -0.027 -11.195 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.115 1.422 -9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.131 0.254 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.722 -0.520 -8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.859 -1.598 -9.773 1.00 0.00 H new ATOM 991 N VAL A 61 -2.074 1.581 -7.705 1.00 0.00 N ATOM 992 CA VAL A 61 -1.496 2.758 -7.075 1.00 0.00 C ATOM 993 C VAL A 61 -1.447 3.842 -8.158 1.00 0.00 C ATOM 994 O VAL A 61 -0.891 3.589 -9.224 1.00 0.00 O ATOM 995 CB VAL A 61 -0.075 2.404 -6.562 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.559 3.595 -5.836 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.005 1.204 -5.602 1.00 0.00 C ATOM 0 H VAL A 61 -1.416 0.804 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.077 3.106 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 61 0.465 2.137 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.554 3.320 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.635 4.440 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.061 3.873 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.030 1.038 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.611 1.408 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.384 0.314 -6.104 1.00 0.00 H new ATOM 1007 N GLU A 62 -1.982 5.039 -7.910 1.00 0.00 N ATOM 1008 CA GLU A 62 -1.843 6.160 -8.833 1.00 0.00 C ATOM 1009 C GLU A 62 -0.372 6.554 -8.971 1.00 0.00 C ATOM 1010 O GLU A 62 0.136 6.677 -10.086 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.712 7.351 -8.382 1.00 0.00 C ATOM 1012 CG GLU A 62 -2.445 8.548 -9.310 1.00 0.00 C ATOM 1013 CD GLU A 62 -3.491 9.660 -9.334 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -4.195 9.887 -8.329 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.553 10.366 -10.368 1.00 0.00 O ATOM 0 H GLU A 62 -2.519 5.255 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.200 5.852 -9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.767 7.080 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.481 7.616 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.490 8.989 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.332 8.169 -10.326 1.00 0.00 H new ATOM 1022 N SER A 63 0.288 6.780 -7.837 1.00 0.00 N ATOM 1023 CA SER A 63 1.721 7.008 -7.719 1.00 0.00 C ATOM 1024 C SER A 63 2.157 6.761 -6.277 1.00 0.00 C ATOM 1025 O SER A 63 1.327 6.619 -5.372 1.00 0.00 O ATOM 1026 CB SER A 63 2.068 8.450 -8.117 1.00 0.00 C ATOM 1027 OG SER A 63 2.330 8.554 -9.501 1.00 0.00 O ATOM 0 H SER A 63 -0.187 6.810 -6.935 1.00 0.00 H new ATOM 0 HA SER A 63 2.243 6.323 -8.387 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.243 9.111 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.939 8.785 -7.554 1.00 0.00 H new ATOM 0 HG SER A 63 1.692 8.000 -9.997 1.00 0.00 H new ATOM 1033 N TYR A 64 3.469 6.745 -6.084 1.00 0.00 N ATOM 1034 CA TYR A 64 4.158 6.812 -4.807 1.00 0.00 C ATOM 1035 C TYR A 64 5.228 7.915 -4.872 1.00 0.00 C ATOM 1036 O TYR A 64 5.542 8.406 -5.958 1.00 0.00 O ATOM 1037 CB TYR A 64 4.777 5.451 -4.465 1.00 0.00 C ATOM 1038 CG TYR A 64 5.976 5.121 -5.326 1.00 0.00 C ATOM 1039 CD1 TYR A 64 7.268 5.524 -4.930 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.789 4.478 -6.561 1.00 0.00 C ATOM 1041 CE1 TYR A 64 8.368 5.286 -5.769 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.885 4.247 -7.404 1.00 0.00 C ATOM 1043 CZ TYR A 64 8.177 4.650 -7.013 1.00 0.00 C ATOM 1044 OH TYR A 64 9.232 4.424 -7.833 1.00 0.00 O ATOM 0 H TYR A 64 4.120 6.681 -6.867 1.00 0.00 H new ATOM 0 HA TYR A 64 3.450 7.057 -4.016 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.075 5.446 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.023 4.673 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.411 6.017 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.801 4.162 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.358 5.589 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.738 3.759 -8.356 1.00 0.00 H new ATOM 0 HH TYR A 64 8.923 3.976 -8.648 1.00 0.00 H new ATOM 1054 N GLN A 65 5.836 8.257 -3.736 1.00 0.00 N ATOM 1055 CA GLN A 65 7.032 9.072 -3.609 1.00 0.00 C ATOM 1056 C GLN A 65 7.749 8.600 -2.347 1.00 0.00 C ATOM 1057 O GLN A 65 7.098 8.167 -1.399 1.00 0.00 O ATOM 1058 CB GLN A 65 6.641 10.557 -3.483 1.00 0.00 C ATOM 1059 CG GLN A 65 6.973 11.357 -4.735 1.00 0.00 C ATOM 1060 CD GLN A 65 8.477 11.544 -4.904 1.00 0.00 C ATOM 1061 OE1 GLN A 65 9.164 10.772 -5.569 1.00 0.00 O ATOM 1062 NE2 GLN A 65 9.040 12.554 -4.276 1.00 0.00 N ATOM 0 H GLN A 65 5.481 7.952 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 65 7.677 8.973 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.573 10.632 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.158 10.994 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.569 10.847 -5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.489 12.332 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.469 13.194 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.048 12.697 -4.341 1.00 0.00 H new ATOM 1071 N GLU A 66 9.074 8.658 -2.333 1.00 0.00 N ATOM 1072 CA GLU A 66 9.941 8.479 -1.182 1.00 0.00 C ATOM 1073 C GLU A 66 9.761 9.628 -0.190 1.00 0.00 C ATOM 1074 O GLU A 66 9.538 10.773 -0.609 1.00 0.00 O ATOM 1075 CB GLU A 66 11.358 8.454 -1.756 1.00 0.00 C ATOM 1076 CG GLU A 66 12.374 7.744 -0.875 1.00 0.00 C ATOM 1077 CD GLU A 66 13.185 8.655 0.050 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.530 9.796 -0.343 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.568 8.191 1.143 1.00 0.00 O ATOM 0 H GLU A 66 9.605 8.844 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 66 9.716 7.566 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.335 7.966 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.690 9.479 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.850 7.008 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.065 7.195 -1.515 1.00 0.00 H new ATOM 1086 N VAL A 67 9.812 9.330 1.112 1.00 0.00 N ATOM 1087 CA VAL A 67 9.502 10.302 2.166 1.00 0.00 C ATOM 1088 C VAL A 67 10.318 10.062 3.427 1.00 0.00 C ATOM 1089 O VAL A 67 10.921 8.982 3.592 1.00 0.00 O ATOM 1090 CB VAL A 67 7.987 10.335 2.479 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.122 10.639 1.262 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.442 9.036 3.072 1.00 0.00 C ATOM 0 H VAL A 67 10.069 8.408 1.465 1.00 0.00 H new ATOM 0 HA VAL A 67 9.786 11.282 1.782 1.00 0.00 H new ATOM 0 HB VAL A 67 7.921 11.139 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.072 10.646 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.393 11.614 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.281 9.874 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.374 9.143 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.606 8.219 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.957 8.819 4.008 1.00 0.00 H new TER 1102 VAL A 67