USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 -162:sc= -0.329 USER MOD Set 1.2: A 59 TYR OH : rot -121:sc= 0.434 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=-0.000724 K(o=-0.00072,f=-0.83) 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 -177:sc= 0 (180deg=-0.0088) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0706 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= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 31 TYR OH : rot -19:sc= 0.307 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0.838 (180deg=0.389) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.5) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 9:sc= 0.767 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.126 4.308 2.622 1.00 0.00 N ATOM 19 CA ARG A 2 9.679 4.336 2.873 1.00 0.00 C ATOM 20 C ARG A 2 8.970 5.235 1.874 1.00 0.00 C ATOM 21 O ARG A 2 9.503 6.281 1.510 1.00 0.00 O ATOM 22 CB ARG A 2 9.387 4.676 4.346 1.00 0.00 C ATOM 23 CG ARG A 2 9.308 6.183 4.593 1.00 0.00 C ATOM 24 CD ARG A 2 9.595 6.593 6.035 1.00 0.00 C ATOM 25 NE ARG A 2 8.621 6.093 7.013 1.00 0.00 N ATOM 26 CZ ARG A 2 8.642 6.398 8.315 1.00 0.00 C ATOM 27 NH1 ARG A 2 9.641 7.102 8.834 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.644 5.998 9.092 1.00 0.00 N ATOM 0 HA ARG A 2 9.266 3.340 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.446 4.212 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.167 4.248 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.017 6.686 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.313 6.534 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.586 6.234 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.623 7.681 6.092 1.00 0.00 H new ATOM 0 HE ARG A 2 7.882 5.474 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.406 7.418 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.643 7.327 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.871 5.464 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.649 6.225 10.086 1.00 0.00 H new ATOM 42 N TYR A 3 7.764 4.850 1.459 1.00 0.00 N ATOM 43 CA TYR A 3 7.080 5.473 0.338 1.00 0.00 C ATOM 44 C TYR A 3 5.595 5.558 0.636 1.00 0.00 C ATOM 45 O TYR A 3 5.001 4.582 1.091 1.00 0.00 O ATOM 46 CB TYR A 3 7.301 4.667 -0.944 1.00 0.00 C ATOM 47 CG TYR A 3 8.732 4.239 -1.182 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.180 3.015 -0.651 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.615 5.056 -1.911 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.488 2.576 -0.897 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.918 4.600 -2.181 1.00 0.00 C ATOM 52 CZ TYR A 3 11.345 3.340 -1.718 1.00 0.00 C ATOM 53 OH TYR A 3 12.569 2.872 -2.074 1.00 0.00 O ATOM 0 H TYR A 3 7.236 4.094 1.895 1.00 0.00 H new ATOM 0 HA TYR A 3 7.485 6.474 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.671 3.778 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.968 5.263 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.514 2.412 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.295 6.026 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.840 1.654 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.596 5.221 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 3 13.019 3.532 -2.642 1.00 0.00 H new ATOM 63 N VAL A 4 5.006 6.720 0.374 1.00 0.00 N ATOM 64 CA VAL A 4 3.609 7.053 0.584 1.00 0.00 C ATOM 65 C VAL A 4 2.885 6.818 -0.744 1.00 0.00 C ATOM 66 O VAL A 4 2.824 7.708 -1.595 1.00 0.00 O ATOM 67 CB VAL A 4 3.491 8.518 1.058 1.00 0.00 C ATOM 68 CG1 VAL A 4 2.097 8.823 1.584 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.471 8.906 2.164 1.00 0.00 C ATOM 0 H VAL A 4 5.530 7.503 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 4 3.156 6.433 1.357 1.00 0.00 H new ATOM 0 HB VAL A 4 3.724 9.097 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.050 9.862 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.365 8.656 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.875 8.169 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.318 9.951 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.302 8.276 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.493 8.769 1.810 1.00 0.00 H new ATOM 79 N LEU A 5 2.373 5.608 -0.948 1.00 0.00 N ATOM 80 CA LEU A 5 1.557 5.233 -2.101 1.00 0.00 C ATOM 81 C LEU A 5 0.249 6.028 -2.056 1.00 0.00 C ATOM 82 O LEU A 5 -0.191 6.440 -0.979 1.00 0.00 O ATOM 83 CB LEU A 5 1.207 3.736 -2.057 1.00 0.00 C ATOM 84 CG LEU A 5 2.316 2.738 -1.671 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.783 1.313 -1.855 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.595 2.904 -2.493 1.00 0.00 C ATOM 0 H LEU A 5 2.518 4.837 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 5 2.119 5.445 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.384 3.607 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.833 3.453 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 5 2.580 2.937 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.559 0.597 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.913 1.164 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.497 1.163 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.333 2.170 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.371 2.752 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.993 3.908 -2.347 1.00 0.00 H new ATOM 98 N TYR A 6 -0.436 6.173 -3.184 1.00 0.00 N ATOM 99 CA TYR A 6 -1.760 6.768 -3.271 1.00 0.00 C ATOM 100 C TYR A 6 -2.683 5.739 -3.904 1.00 0.00 C ATOM 101 O TYR A 6 -2.573 5.464 -5.103 1.00 0.00 O ATOM 102 CB TYR A 6 -1.701 8.088 -4.048 1.00 0.00 C ATOM 103 CG TYR A 6 -2.941 8.952 -3.927 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.534 9.200 -2.671 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.463 9.587 -5.068 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.613 10.088 -2.554 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.552 10.464 -4.967 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.108 10.745 -3.701 1.00 0.00 C ATOM 109 OH TYR A 6 -6.078 11.686 -3.577 1.00 0.00 O ATOM 0 H TYR A 6 -0.073 5.871 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.150 7.025 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.841 8.660 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.531 7.866 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.153 8.701 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.019 9.397 -6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.064 10.269 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.963 10.922 -5.854 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.304 12.041 -4.462 1.00 0.00 H new ATOM 119 N VAL A 7 -3.520 5.117 -3.075 1.00 0.00 N ATOM 120 CA VAL A 7 -4.323 3.958 -3.440 1.00 0.00 C ATOM 121 C VAL A 7 -5.800 4.368 -3.284 1.00 0.00 C ATOM 122 O VAL A 7 -6.394 4.128 -2.230 1.00 0.00 O ATOM 123 CB VAL A 7 -3.893 2.730 -2.602 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.532 1.432 -3.123 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.367 2.509 -2.593 1.00 0.00 C ATOM 0 H VAL A 7 -3.660 5.414 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.173 3.647 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.235 2.954 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.205 0.593 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.618 1.516 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.227 1.265 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.130 1.633 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.016 2.352 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.875 3.385 -2.171 1.00 0.00 H new ATOM 135 N PRO A 8 -6.409 5.020 -4.292 1.00 0.00 N ATOM 136 CA PRO A 8 -7.805 5.466 -4.250 1.00 0.00 C ATOM 137 C PRO A 8 -8.809 4.328 -4.043 1.00 0.00 C ATOM 138 O PRO A 8 -9.907 4.578 -3.547 1.00 0.00 O ATOM 139 CB PRO A 8 -8.044 6.215 -5.564 1.00 0.00 C ATOM 140 CG PRO A 8 -6.956 5.684 -6.493 1.00 0.00 C ATOM 141 CD PRO A 8 -5.797 5.423 -5.548 1.00 0.00 C ATOM 0 HA PRO A 8 -7.967 6.109 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.040 6.017 -5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.963 7.294 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.271 4.775 -7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.693 6.409 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.142 4.642 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.186 6.316 -5.419 1.00 0.00 H new ATOM 149 N ASP A 9 -8.443 3.076 -4.340 1.00 0.00 N ATOM 150 CA ASP A 9 -9.314 1.923 -4.094 1.00 0.00 C ATOM 151 C ASP A 9 -9.577 1.730 -2.603 1.00 0.00 C ATOM 152 O ASP A 9 -10.549 1.067 -2.234 1.00 0.00 O ATOM 153 CB ASP A 9 -8.708 0.630 -4.659 1.00 0.00 C ATOM 154 CG ASP A 9 -8.927 0.495 -6.160 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.048 0.977 -6.909 1.00 0.00 O ATOM 156 OD2 ASP A 9 -9.956 -0.095 -6.563 1.00 0.00 O ATOM 0 H ASP A 9 -7.542 2.835 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.255 2.133 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.639 0.610 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.150 -0.227 -4.151 1.00 0.00 H new ATOM 161 N ILE A 10 -8.762 2.320 -1.721 1.00 0.00 N ATOM 162 CA ILE A 10 -8.971 2.292 -0.276 1.00 0.00 C ATOM 163 C ILE A 10 -10.004 3.363 0.111 1.00 0.00 C ATOM 164 O ILE A 10 -9.896 3.989 1.161 1.00 0.00 O ATOM 165 CB ILE A 10 -7.647 2.414 0.516 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.550 1.569 -0.143 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.827 1.893 1.961 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.221 1.562 0.608 1.00 0.00 C ATOM 0 H ILE A 10 -7.928 2.837 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.372 1.317 0.001 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.367 3.468 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.906 0.543 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.380 1.941 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.885 1.987 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.595 2.479 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.127 0.846 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.504 0.941 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.838 2.580 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.371 1.161 1.610 1.00 0.00 H new ATOM 180 N SER A 11 -11.022 3.608 -0.711 1.00 0.00 N ATOM 181 CA SER A 11 -12.099 4.503 -0.335 1.00 0.00 C ATOM 182 C SER A 11 -12.984 3.862 0.749 1.00 0.00 C ATOM 183 O SER A 11 -13.719 4.599 1.415 1.00 0.00 O ATOM 184 CB SER A 11 -12.895 4.901 -1.579 1.00 0.00 C ATOM 185 OG SER A 11 -13.357 6.237 -1.495 1.00 0.00 O ATOM 0 H SER A 11 -11.118 3.197 -1.639 1.00 0.00 H new ATOM 0 HA SER A 11 -11.684 5.413 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.270 4.786 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.744 4.228 -1.699 1.00 0.00 H new ATOM 0 HG SER A 11 -13.860 6.461 -2.306 1.00 0.00 H new ATOM 191 N CYS A 12 -12.894 2.541 0.977 1.00 0.00 N ATOM 192 CA CYS A 12 -13.702 1.800 1.943 1.00 0.00 C ATOM 193 C CYS A 12 -12.877 1.022 2.980 1.00 0.00 C ATOM 194 O CYS A 12 -11.712 0.685 2.780 1.00 0.00 O ATOM 195 CB CYS A 12 -14.641 0.853 1.179 1.00 0.00 C ATOM 196 SG CYS A 12 -16.125 1.731 0.641 1.00 0.00 S ATOM 0 H CYS A 12 -12.234 1.947 0.475 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.271 2.531 2.517 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.123 0.438 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.919 0.014 1.817 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.903 0.913 -0.004 1.00 0.00 H new ATOM 202 N ASN A 13 -13.531 0.697 4.098 1.00 0.00 N ATOM 203 CA ASN A 13 -12.969 0.051 5.283 1.00 0.00 C ATOM 204 C ASN A 13 -12.520 -1.378 4.988 1.00 0.00 C ATOM 205 O ASN A 13 -11.411 -1.745 5.359 1.00 0.00 O ATOM 206 CB ASN A 13 -14.036 0.094 6.390 1.00 0.00 C ATOM 207 CG ASN A 13 -13.489 -0.202 7.779 1.00 0.00 C ATOM 208 OD1 ASN A 13 -12.953 -1.274 8.043 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.669 0.718 8.714 1.00 0.00 N ATOM 0 H ASN A 13 -14.527 0.890 4.205 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.075 0.583 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.502 1.079 6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.819 -0.628 6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.360 0.541 9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.116 1.604 8.478 1.00 0.00 H new ATOM 216 N HIS A 14 -13.306 -2.171 4.249 1.00 0.00 N ATOM 217 CA HIS A 14 -12.849 -3.494 3.809 1.00 0.00 C ATOM 218 C HIS A 14 -11.570 -3.390 2.977 1.00 0.00 C ATOM 219 O HIS A 14 -10.655 -4.199 3.146 1.00 0.00 O ATOM 220 CB HIS A 14 -13.945 -4.204 3.007 1.00 0.00 C ATOM 221 CG HIS A 14 -13.540 -5.593 2.569 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.180 -5.981 1.296 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.401 -6.682 3.387 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.855 -7.285 1.349 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.976 -7.760 2.604 1.00 0.00 N ATOM 0 H HIS A 14 -14.248 -1.924 3.947 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.628 -4.082 4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.849 -4.268 3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.191 -3.608 2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.587 -6.705 4.451 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.539 -7.873 0.500 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.794 -8.713 2.919 1.00 0.00 H new ATOM 233 N CYS A 15 -11.494 -2.376 2.110 1.00 0.00 N ATOM 234 CA CYS A 15 -10.349 -2.167 1.248 1.00 0.00 C ATOM 235 C CYS A 15 -9.060 -2.022 2.058 1.00 0.00 C ATOM 236 O CYS A 15 -8.040 -2.561 1.642 1.00 0.00 O ATOM 237 CB CYS A 15 -10.579 -0.964 0.338 1.00 0.00 C ATOM 238 SG CYS A 15 -12.142 -1.107 -0.563 1.00 0.00 S ATOM 0 H CYS A 15 -12.231 -1.681 1.993 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.232 -3.048 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.583 -0.051 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.755 -0.879 -0.371 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.131 -0.300 -1.582 1.00 0.00 H new ATOM 244 N LYS A 16 -9.108 -1.379 3.236 1.00 0.00 N ATOM 245 CA LYS A 16 -7.973 -1.246 4.152 1.00 0.00 C ATOM 246 C LYS A 16 -7.272 -2.600 4.345 1.00 0.00 C ATOM 247 O LYS A 16 -6.071 -2.689 4.101 1.00 0.00 O ATOM 248 CB LYS A 16 -8.444 -0.547 5.445 1.00 0.00 C ATOM 249 CG LYS A 16 -7.338 -0.206 6.467 1.00 0.00 C ATOM 250 CD LYS A 16 -7.458 1.271 6.878 1.00 0.00 C ATOM 251 CE LYS A 16 -6.483 1.750 7.957 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.945 1.528 9.341 1.00 0.00 N ATOM 0 H LYS A 16 -9.956 -0.929 3.581 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.199 -0.603 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.956 0.376 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.179 -1.186 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.428 -0.847 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.356 -0.395 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.317 1.887 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.474 1.448 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.529 1.240 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.298 2.815 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.228 1.880 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.839 2.037 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.094 0.511 9.498 1.00 0.00 H new ATOM 266 N MET A 17 -8.015 -3.664 4.671 1.00 0.00 N ATOM 267 CA MET A 17 -7.462 -5.003 4.879 1.00 0.00 C ATOM 268 C MET A 17 -6.822 -5.622 3.643 1.00 0.00 C ATOM 269 O MET A 17 -5.875 -6.398 3.789 1.00 0.00 O ATOM 270 CB MET A 17 -8.564 -5.981 5.326 1.00 0.00 C ATOM 271 CG MET A 17 -8.285 -6.534 6.726 1.00 0.00 C ATOM 272 SD MET A 17 -8.751 -8.274 6.980 1.00 0.00 S ATOM 273 CE MET A 17 -10.522 -8.203 6.611 1.00 0.00 C ATOM 0 H MET A 17 -9.026 -3.617 4.798 1.00 0.00 H new ATOM 0 HA MET A 17 -6.692 -4.858 5.637 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.528 -5.473 5.319 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.633 -6.804 4.615 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.221 -6.425 6.937 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.818 -5.922 7.454 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.967 -9.185 6.774 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.001 -7.474 7.265 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.666 -7.907 5.572 1.00 0.00 H new ATOM 283 N ARG A 18 -7.361 -5.365 2.443 1.00 0.00 N ATOM 284 CA ARG A 18 -6.922 -6.060 1.232 1.00 0.00 C ATOM 285 C ARG A 18 -5.431 -5.851 1.044 1.00 0.00 C ATOM 286 O ARG A 18 -4.689 -6.799 0.769 1.00 0.00 O ATOM 287 CB ARG A 18 -7.671 -5.544 -0.004 1.00 0.00 C ATOM 288 CG ARG A 18 -9.169 -5.893 -0.028 1.00 0.00 C ATOM 289 CD ARG A 18 -9.479 -6.585 -1.353 1.00 0.00 C ATOM 290 NE ARG A 18 -10.911 -6.661 -1.672 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.445 -7.480 -2.588 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.712 -8.389 -3.215 1.00 0.00 N ATOM 293 NH2 ARG A 18 -12.738 -7.370 -2.865 1.00 0.00 N ATOM 0 H ARG A 18 -8.101 -4.681 2.288 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.140 -7.122 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.561 -4.461 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.200 -5.954 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.420 -6.545 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.771 -4.991 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.967 -6.054 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.070 -7.595 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.544 -6.047 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.718 -8.477 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.142 -9.001 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.305 -6.672 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.165 -7.984 -3.559 1.00 0.00 H new ATOM 307 N ILE A 19 -5.017 -4.600 1.249 1.00 0.00 N ATOM 308 CA ILE A 19 -3.632 -4.199 1.223 1.00 0.00 C ATOM 309 C ILE A 19 -2.904 -4.971 2.303 1.00 0.00 C ATOM 310 O ILE A 19 -1.974 -5.698 1.965 1.00 0.00 O ATOM 311 CB ILE A 19 -3.511 -2.669 1.371 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.049 -2.005 0.095 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.058 -2.224 1.579 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.540 -1.735 0.128 1.00 0.00 C ATOM 0 H ILE A 19 -5.658 -3.830 1.441 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.168 -4.435 0.266 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.086 -2.370 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.522 -1.064 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.824 -2.644 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.020 -1.139 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.662 -2.685 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.457 -2.531 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.845 -1.265 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.077 -2.675 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.771 -1.070 0.960 1.00 0.00 H new ATOM 326 N SER A 20 -3.294 -4.823 3.569 1.00 0.00 N ATOM 327 CA SER A 20 -2.498 -5.284 4.683 1.00 0.00 C ATOM 328 C SER A 20 -2.194 -6.758 4.579 1.00 0.00 C ATOM 329 O SER A 20 -1.032 -7.121 4.688 1.00 0.00 O ATOM 330 CB SER A 20 -3.200 -5.036 6.002 1.00 0.00 C ATOM 331 OG SER A 20 -4.038 -3.896 5.948 1.00 0.00 O ATOM 0 H SER A 20 -4.171 -4.379 3.840 1.00 0.00 H new ATOM 0 HA SER A 20 -1.567 -4.718 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.794 -5.911 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.458 -4.904 6.789 1.00 0.00 H new ATOM 0 HG SER A 20 -4.475 -3.770 6.816 1.00 0.00 H new ATOM 337 N LYS A 21 -3.204 -7.590 4.305 1.00 0.00 N ATOM 338 CA LYS A 21 -2.995 -9.022 4.165 1.00 0.00 C ATOM 339 C LYS A 21 -1.884 -9.285 3.152 1.00 0.00 C ATOM 340 O LYS A 21 -0.918 -9.984 3.436 1.00 0.00 O ATOM 341 CB LYS A 21 -4.290 -9.704 3.707 1.00 0.00 C ATOM 342 CG LYS A 21 -5.295 -9.920 4.842 1.00 0.00 C ATOM 343 CD LYS A 21 -6.322 -10.968 4.407 1.00 0.00 C ATOM 344 CE LYS A 21 -7.272 -11.308 5.551 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.938 -12.603 5.317 1.00 0.00 N ATOM 0 H LYS A 21 -4.171 -7.290 4.177 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.704 -9.433 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.756 -9.099 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.046 -10.667 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.779 -10.250 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.794 -8.982 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.891 -10.594 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.808 -11.870 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.719 -11.344 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.021 -10.523 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.579 -12.812 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.484 -12.558 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.222 -13.354 5.244 1.00 0.00 H new ATOM 359 N ALA A 22 -2.014 -8.685 1.970 1.00 0.00 N ATOM 360 CA ALA A 22 -1.053 -8.836 0.898 1.00 0.00 C ATOM 361 C ALA A 22 0.317 -8.243 1.254 1.00 0.00 C ATOM 362 O ALA A 22 1.313 -8.728 0.732 1.00 0.00 O ATOM 363 CB ALA A 22 -1.645 -8.196 -0.359 1.00 0.00 C ATOM 0 H ALA A 22 -2.799 -8.077 1.735 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.869 -9.896 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.940 -8.296 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.579 -8.696 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.839 -7.140 -0.173 1.00 0.00 H new ATOM 369 N LEU A 23 0.406 -7.218 2.110 1.00 0.00 N ATOM 370 CA LEU A 23 1.668 -6.643 2.576 1.00 0.00 C ATOM 371 C LEU A 23 2.357 -7.579 3.571 1.00 0.00 C ATOM 372 O LEU A 23 3.563 -7.799 3.500 1.00 0.00 O ATOM 373 CB LEU A 23 1.431 -5.298 3.277 1.00 0.00 C ATOM 374 CG LEU A 23 1.006 -4.103 2.421 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.956 -2.857 3.305 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.958 -3.838 1.249 1.00 0.00 C ATOM 0 H LEU A 23 -0.415 -6.758 2.504 1.00 0.00 H new ATOM 0 HA LEU A 23 2.299 -6.500 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.667 -5.450 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.350 -5.026 3.796 1.00 0.00 H new ATOM 0 HG LEU A 23 0.028 -4.337 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.654 -1.998 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.236 -3.010 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.942 -2.674 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.604 -2.979 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.958 -3.632 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.991 -4.714 0.601 1.00 0.00 H new ATOM 388 N GLU A 24 1.609 -8.101 4.533 1.00 0.00 N ATOM 389 CA GLU A 24 2.091 -9.065 5.517 1.00 0.00 C ATOM 390 C GLU A 24 2.665 -10.292 4.798 1.00 0.00 C ATOM 391 O GLU A 24 3.753 -10.761 5.135 1.00 0.00 O ATOM 392 CB GLU A 24 0.946 -9.456 6.470 1.00 0.00 C ATOM 393 CG GLU A 24 0.310 -8.249 7.183 1.00 0.00 C ATOM 394 CD GLU A 24 0.558 -8.223 8.683 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.630 -7.731 9.104 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.407 -8.477 9.440 1.00 0.00 O ATOM 0 H GLU A 24 0.625 -7.861 4.655 1.00 0.00 H new ATOM 0 HA GLU A 24 2.886 -8.618 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.177 -9.983 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.326 -10.152 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.701 -7.331 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.765 -8.256 7.002 1.00 0.00 H new ATOM 403 N GLU A 25 1.975 -10.797 3.769 1.00 0.00 N ATOM 404 CA GLU A 25 2.418 -11.973 3.027 1.00 0.00 C ATOM 405 C GLU A 25 3.514 -11.605 2.020 1.00 0.00 C ATOM 406 O GLU A 25 4.370 -12.435 1.717 1.00 0.00 O ATOM 407 CB GLU A 25 1.227 -12.676 2.353 1.00 0.00 C ATOM 408 CG GLU A 25 0.173 -13.153 3.378 1.00 0.00 C ATOM 409 CD GLU A 25 -0.370 -14.558 3.109 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.357 -15.537 3.404 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.552 -14.691 2.692 1.00 0.00 O ATOM 0 H GLU A 25 1.098 -10.401 3.432 1.00 0.00 H new ATOM 0 HA GLU A 25 2.854 -12.681 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.759 -11.993 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.588 -13.531 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.615 -13.131 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.659 -12.448 3.382 1.00 0.00 H new ATOM 418 N LEU A 26 3.571 -10.351 1.552 1.00 0.00 N ATOM 419 CA LEU A 26 4.691 -9.805 0.812 1.00 0.00 C ATOM 420 C LEU A 26 5.939 -9.859 1.696 1.00 0.00 C ATOM 421 O LEU A 26 7.010 -10.243 1.235 1.00 0.00 O ATOM 422 CB LEU A 26 4.326 -8.373 0.376 1.00 0.00 C ATOM 423 CG LEU A 26 5.449 -7.582 -0.273 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.821 -8.085 -1.666 1.00 0.00 C ATOM 425 CD2 LEU A 26 5.015 -6.118 -0.406 1.00 0.00 C ATOM 0 H LEU A 26 2.815 -9.680 1.687 1.00 0.00 H new ATOM 0 HA LEU A 26 4.908 -10.382 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.491 -8.426 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.976 -7.824 1.250 1.00 0.00 H new ATOM 0 HG LEU A 26 6.322 -7.700 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.629 -7.475 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.147 -9.123 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.953 -8.017 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.815 -5.542 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.119 -6.059 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.802 -5.710 0.582 1.00 0.00 H new ATOM 437 N GLY A 27 5.790 -9.540 2.984 1.00 0.00 N ATOM 438 CA GLY A 27 6.883 -9.515 3.944 1.00 0.00 C ATOM 439 C GLY A 27 7.384 -8.108 4.214 1.00 0.00 C ATOM 440 O GLY A 27 8.547 -7.958 4.590 1.00 0.00 O ATOM 0 H GLY A 27 4.889 -9.288 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.552 -9.965 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.705 -10.125 3.570 1.00 0.00 H new ATOM 444 N VAL A 28 6.546 -7.079 4.040 1.00 0.00 N ATOM 445 CA VAL A 28 6.883 -5.763 4.576 1.00 0.00 C ATOM 446 C VAL A 28 7.079 -5.905 6.098 1.00 0.00 C ATOM 447 O VAL A 28 6.500 -6.812 6.712 1.00 0.00 O ATOM 448 CB VAL A 28 5.770 -4.755 4.207 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.536 -4.897 5.094 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.260 -3.305 4.263 1.00 0.00 C ATOM 0 H VAL A 28 5.655 -7.131 3.546 1.00 0.00 H new ATOM 0 HA VAL A 28 7.809 -5.379 4.147 1.00 0.00 H new ATOM 0 HB VAL A 28 5.493 -4.997 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.785 -4.166 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.127 -5.902 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.814 -4.724 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.443 -2.634 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.603 -3.076 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.083 -3.172 3.561 1.00 0.00 H new ATOM 460 N LYS A 29 7.793 -4.973 6.738 1.00 0.00 N ATOM 461 CA LYS A 29 7.902 -4.950 8.195 1.00 0.00 C ATOM 462 C LYS A 29 7.494 -3.638 8.844 1.00 0.00 C ATOM 463 O LYS A 29 7.284 -3.627 10.056 1.00 0.00 O ATOM 464 CB LYS A 29 9.298 -5.414 8.640 1.00 0.00 C ATOM 465 CG LYS A 29 9.316 -6.879 9.100 1.00 0.00 C ATOM 466 CD LYS A 29 8.828 -7.059 10.544 1.00 0.00 C ATOM 467 CE LYS A 29 7.315 -6.904 10.742 1.00 0.00 C ATOM 468 NZ LYS A 29 6.940 -7.072 12.154 1.00 0.00 N ATOM 0 H LYS A 29 8.303 -4.226 6.267 1.00 0.00 H new ATOM 0 HA LYS A 29 7.164 -5.663 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.999 -5.288 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.646 -4.778 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.689 -7.471 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.330 -7.269 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.125 -8.049 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.338 -6.333 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.000 -5.920 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.789 -7.640 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.911 -6.962 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.220 -8.020 12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.424 -6.353 12.730 1.00 0.00 H new ATOM 482 N ASN A 30 7.289 -2.559 8.092 1.00 0.00 N ATOM 483 CA ASN A 30 6.751 -1.315 8.621 1.00 0.00 C ATOM 484 C ASN A 30 5.871 -0.755 7.531 1.00 0.00 C ATOM 485 O ASN A 30 6.293 -0.677 6.381 1.00 0.00 O ATOM 486 CB ASN A 30 7.870 -0.337 9.000 1.00 0.00 C ATOM 487 CG ASN A 30 8.076 -0.269 10.496 1.00 0.00 C ATOM 488 OD1 ASN A 30 9.068 -0.743 11.036 1.00 0.00 O ATOM 489 ND2 ASN A 30 7.133 0.330 11.196 1.00 0.00 N ATOM 0 H ASN A 30 7.494 -2.526 7.093 1.00 0.00 H new ATOM 0 HA ASN A 30 6.187 -1.483 9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.799 -0.644 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.628 0.656 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.221 0.406 12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.316 0.717 10.724 1.00 0.00 H new ATOM 496 N TYR A 31 4.626 -0.451 7.860 1.00 0.00 N ATOM 497 CA TYR A 31 3.643 0.020 6.912 1.00 0.00 C ATOM 498 C TYR A 31 2.490 0.632 7.690 1.00 0.00 C ATOM 499 O TYR A 31 2.325 0.380 8.885 1.00 0.00 O ATOM 500 CB TYR A 31 3.164 -1.134 6.016 1.00 0.00 C ATOM 501 CG TYR A 31 2.456 -2.270 6.731 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.189 -3.186 7.507 1.00 0.00 C ATOM 503 CD2 TYR A 31 1.063 -2.422 6.608 1.00 0.00 C ATOM 504 CE1 TYR A 31 2.544 -4.229 8.190 1.00 0.00 C ATOM 505 CE2 TYR A 31 0.415 -3.476 7.265 1.00 0.00 C ATOM 506 CZ TYR A 31 1.146 -4.360 8.084 1.00 0.00 C ATOM 507 OH TYR A 31 0.476 -5.299 8.796 1.00 0.00 O ATOM 0 H TYR A 31 4.269 -0.528 8.812 1.00 0.00 H new ATOM 0 HA TYR A 31 4.079 0.774 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.491 -0.728 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.026 -1.542 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.262 -3.086 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.494 -1.727 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.114 -4.923 8.790 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.650 -3.612 7.143 1.00 0.00 H new ATOM 0 HH TYR A 31 1.102 -5.991 9.095 1.00 0.00 H new ATOM 517 N GLU A 32 1.657 1.396 7.001 1.00 0.00 N ATOM 518 CA GLU A 32 0.379 1.863 7.512 1.00 0.00 C ATOM 519 C GLU A 32 -0.557 2.044 6.334 1.00 0.00 C ATOM 520 O GLU A 32 -0.120 2.486 5.276 1.00 0.00 O ATOM 521 CB GLU A 32 0.516 3.215 8.245 1.00 0.00 C ATOM 522 CG GLU A 32 0.647 3.083 9.767 1.00 0.00 C ATOM 523 CD GLU A 32 -0.541 2.398 10.455 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.592 2.153 9.813 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.412 2.053 11.652 1.00 0.00 O ATOM 0 H GLU A 32 1.855 1.715 6.052 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.002 1.130 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.389 3.740 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.354 3.831 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.553 2.521 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.773 4.078 10.195 1.00 0.00 H new ATOM 532 N VAL A 33 -1.847 1.823 6.541 1.00 0.00 N ATOM 533 CA VAL A 33 -2.898 2.042 5.554 1.00 0.00 C ATOM 534 C VAL A 33 -3.847 3.110 6.098 1.00 0.00 C ATOM 535 O VAL A 33 -4.058 3.190 7.307 1.00 0.00 O ATOM 536 CB VAL A 33 -3.603 0.704 5.243 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.665 0.905 4.152 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.614 -0.384 4.779 1.00 0.00 C ATOM 0 H VAL A 33 -2.204 1.474 7.430 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.493 2.404 4.609 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.068 0.370 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.155 -0.046 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.406 1.627 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.189 1.276 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.158 -1.306 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.106 -0.052 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.878 -0.565 5.562 1.00 0.00 H new ATOM 548 N SER A 34 -4.459 3.893 5.212 1.00 0.00 N ATOM 549 CA SER A 34 -5.433 4.915 5.534 1.00 0.00 C ATOM 550 C SER A 34 -6.581 4.812 4.544 1.00 0.00 C ATOM 551 O SER A 34 -6.366 4.902 3.333 1.00 0.00 O ATOM 552 CB SER A 34 -4.766 6.287 5.456 1.00 0.00 C ATOM 553 OG SER A 34 -5.627 7.262 6.009 1.00 0.00 O ATOM 0 H SER A 34 -4.277 3.824 4.211 1.00 0.00 H new ATOM 0 HA SER A 34 -5.819 4.779 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.819 6.274 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.538 6.534 4.419 1.00 0.00 H new ATOM 0 HG SER A 34 -5.199 8.142 5.961 1.00 0.00 H new ATOM 559 N VAL A 35 -7.794 4.622 5.061 1.00 0.00 N ATOM 560 CA VAL A 35 -9.015 4.728 4.279 1.00 0.00 C ATOM 561 C VAL A 35 -9.470 6.188 4.228 1.00 0.00 C ATOM 562 O VAL A 35 -10.000 6.618 3.204 1.00 0.00 O ATOM 563 CB VAL A 35 -10.063 3.702 4.767 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.231 3.599 6.284 1.00 0.00 C ATOM 565 CG2 VAL A 35 -11.457 3.913 4.165 1.00 0.00 C ATOM 0 H VAL A 35 -7.953 4.389 6.041 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.843 4.452 3.239 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.629 2.769 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.989 2.851 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.283 3.307 6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.540 4.565 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.139 3.157 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.823 4.904 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.401 3.829 3.080 1.00 0.00 H new ATOM 575 N GLU A 36 -9.196 6.977 5.271 1.00 0.00 N ATOM 576 CA GLU A 36 -9.484 8.407 5.306 1.00 0.00 C ATOM 577 C GLU A 36 -8.825 9.112 4.117 1.00 0.00 C ATOM 578 O GLU A 36 -9.502 9.794 3.339 1.00 0.00 O ATOM 579 CB GLU A 36 -9.004 9.015 6.631 1.00 0.00 C ATOM 580 CG GLU A 36 -9.632 8.365 7.872 1.00 0.00 C ATOM 581 CD GLU A 36 -8.692 7.299 8.429 1.00 0.00 C ATOM 582 OE1 GLU A 36 -7.760 7.673 9.179 1.00 0.00 O ATOM 583 OE2 GLU A 36 -8.830 6.109 8.066 1.00 0.00 O ATOM 0 H GLU A 36 -8.761 6.631 6.126 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.562 8.549 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.920 8.921 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.232 10.081 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.828 9.123 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.592 7.917 7.613 1.00 0.00 H new ATOM 590 N GLU A 37 -7.516 8.900 3.942 1.00 0.00 N ATOM 591 CA GLU A 37 -6.727 9.601 2.934 1.00 0.00 C ATOM 592 C GLU A 37 -6.358 8.708 1.736 1.00 0.00 C ATOM 593 O GLU A 37 -5.592 9.160 0.886 1.00 0.00 O ATOM 594 CB GLU A 37 -5.480 10.233 3.574 1.00 0.00 C ATOM 595 CG GLU A 37 -5.745 11.344 4.602 1.00 0.00 C ATOM 596 CD GLU A 37 -4.440 12.082 4.920 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.055 12.998 4.147 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.685 11.640 5.805 1.00 0.00 O ATOM 0 H GLU A 37 -6.977 8.236 4.498 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.353 10.397 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.905 9.445 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.854 10.641 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.483 12.044 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.163 10.916 5.513 1.00 0.00 H new ATOM 605 N LYS A 38 -6.889 7.475 1.637 1.00 0.00 N ATOM 606 CA LYS A 38 -6.674 6.558 0.504 1.00 0.00 C ATOM 607 C LYS A 38 -5.187 6.365 0.220 1.00 0.00 C ATOM 608 O LYS A 38 -4.673 6.597 -0.878 1.00 0.00 O ATOM 609 CB LYS A 38 -7.460 7.038 -0.722 1.00 0.00 C ATOM 610 CG LYS A 38 -8.958 6.734 -0.579 1.00 0.00 C ATOM 611 CD LYS A 38 -9.840 7.812 -1.208 1.00 0.00 C ATOM 612 CE LYS A 38 -9.754 9.079 -0.342 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.700 10.136 -0.745 1.00 0.00 N ATOM 0 H LYS A 38 -7.492 7.081 2.359 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.059 5.573 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.315 8.110 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.072 6.553 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.176 5.774 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.206 6.638 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.511 8.025 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.872 7.467 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.943 8.812 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.739 9.474 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.588 10.959 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.507 10.418 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.673 9.777 -0.673 1.00 0.00 H new ATOM 627 N LYS A 39 -4.461 5.962 1.255 1.00 0.00 N ATOM 628 CA LYS A 39 -3.015 6.088 1.286 1.00 0.00 C ATOM 629 C LYS A 39 -2.429 4.858 1.952 1.00 0.00 C ATOM 630 O LYS A 39 -3.099 4.207 2.760 1.00 0.00 O ATOM 631 CB LYS A 39 -2.678 7.385 2.040 1.00 0.00 C ATOM 632 CG LYS A 39 -1.638 8.224 1.289 1.00 0.00 C ATOM 633 CD LYS A 39 -1.173 9.464 2.058 1.00 0.00 C ATOM 634 CE LYS A 39 -2.321 10.414 2.386 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.865 11.557 3.196 1.00 0.00 N ATOM 0 H LYS A 39 -4.860 5.540 2.094 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.585 6.148 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.586 7.971 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.300 7.141 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.773 7.600 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.059 8.537 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.688 9.153 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.425 9.994 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.768 10.778 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.099 9.873 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.619 12.272 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.635 11.232 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.018 11.975 2.760 1.00 0.00 H new ATOM 649 N VAL A 40 -1.184 4.537 1.622 1.00 0.00 N ATOM 650 CA VAL A 40 -0.439 3.459 2.240 1.00 0.00 C ATOM 651 C VAL A 40 0.985 3.972 2.370 1.00 0.00 C ATOM 652 O VAL A 40 1.556 4.378 1.363 1.00 0.00 O ATOM 653 CB VAL A 40 -0.506 2.183 1.377 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.322 1.043 1.977 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.937 1.684 1.175 1.00 0.00 C ATOM 0 H VAL A 40 -0.658 5.032 0.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.849 3.185 3.212 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.091 2.470 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.247 0.163 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.365 1.350 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.056 0.803 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.925 0.784 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.383 1.457 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.524 2.455 0.677 1.00 0.00 H new ATOM 665 N VAL A 41 1.589 3.940 3.557 1.00 0.00 N ATOM 666 CA VAL A 41 3.042 3.929 3.628 1.00 0.00 C ATOM 667 C VAL A 41 3.465 2.472 3.667 1.00 0.00 C ATOM 668 O VAL A 41 2.861 1.674 4.384 1.00 0.00 O ATOM 669 CB VAL A 41 3.603 4.742 4.809 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.139 4.798 4.744 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.074 6.179 4.757 1.00 0.00 C ATOM 0 H VAL A 41 1.108 3.922 4.456 1.00 0.00 H new ATOM 0 HA VAL A 41 3.460 4.428 2.754 1.00 0.00 H new ATOM 0 HB VAL A 41 3.287 4.254 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.518 5.377 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.542 3.786 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.447 5.271 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.477 6.746 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.383 6.647 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.986 6.168 4.815 1.00 0.00 H new ATOM 681 N VAL A 42 4.530 2.148 2.950 1.00 0.00 N ATOM 682 CA VAL A 42 5.337 0.960 3.167 1.00 0.00 C ATOM 683 C VAL A 42 6.754 1.433 3.467 1.00 0.00 C ATOM 684 O VAL A 42 7.161 2.487 2.981 1.00 0.00 O ATOM 685 CB VAL A 42 5.292 0.038 1.933 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.960 -0.720 1.892 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.516 0.803 0.611 1.00 0.00 C ATOM 0 H VAL A 42 4.866 2.723 2.177 1.00 0.00 H new ATOM 0 HA VAL A 42 4.954 0.373 4.002 1.00 0.00 H new ATOM 0 HB VAL A 42 6.114 -0.671 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.937 -1.369 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.857 -1.324 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.137 -0.007 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.474 0.105 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.740 1.559 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.493 1.286 0.631 1.00 0.00 H new ATOM 697 N GLU A 43 7.492 0.658 4.247 1.00 0.00 N ATOM 698 CA GLU A 43 8.902 0.806 4.550 1.00 0.00 C ATOM 699 C GLU A 43 9.518 -0.528 4.119 1.00 0.00 C ATOM 700 O GLU A 43 9.319 -1.541 4.795 1.00 0.00 O ATOM 701 CB GLU A 43 9.062 1.078 6.056 1.00 0.00 C ATOM 702 CG GLU A 43 10.481 1.470 6.487 1.00 0.00 C ATOM 703 CD GLU A 43 10.671 1.292 8.003 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.091 2.099 8.771 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.376 0.332 8.413 1.00 0.00 O ATOM 0 H GLU A 43 7.087 -0.151 4.719 1.00 0.00 H new ATOM 0 HA GLU A 43 9.389 1.637 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.376 1.875 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.762 0.186 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.208 0.859 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.674 2.507 6.213 1.00 0.00 H new ATOM 712 N THR A 44 10.143 -0.579 2.941 1.00 0.00 N ATOM 713 CA THR A 44 10.733 -1.803 2.425 1.00 0.00 C ATOM 714 C THR A 44 11.942 -1.504 1.529 1.00 0.00 C ATOM 715 O THR A 44 12.216 -0.346 1.187 1.00 0.00 O ATOM 716 CB THR A 44 9.612 -2.583 1.722 1.00 0.00 C ATOM 717 OG1 THR A 44 9.928 -3.950 1.636 1.00 0.00 O ATOM 718 CG2 THR A 44 9.265 -2.048 0.331 1.00 0.00 C ATOM 0 H THR A 44 10.251 0.227 2.325 1.00 0.00 H new ATOM 0 HA THR A 44 11.139 -2.421 3.226 1.00 0.00 H new ATOM 0 HB THR A 44 8.728 -2.443 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.199 -4.427 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.466 -2.650 -0.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.936 -1.012 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.146 -2.101 -0.309 1.00 0.00 H new ATOM 726 N GLU A 45 12.642 -2.546 1.077 1.00 0.00 N ATOM 727 CA GLU A 45 13.851 -2.417 0.269 1.00 0.00 C ATOM 728 C GLU A 45 13.589 -2.708 -1.219 1.00 0.00 C ATOM 729 O GLU A 45 14.427 -2.360 -2.056 1.00 0.00 O ATOM 730 CB GLU A 45 14.975 -3.266 0.885 1.00 0.00 C ATOM 731 CG GLU A 45 16.353 -2.640 0.621 1.00 0.00 C ATOM 732 CD GLU A 45 17.469 -3.393 1.343 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.474 -3.424 2.600 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.371 -3.944 0.669 1.00 0.00 O ATOM 0 H GLU A 45 12.380 -3.514 1.265 1.00 0.00 H new ATOM 0 HA GLU A 45 14.185 -1.380 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.816 -3.361 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.944 -4.273 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.551 -2.638 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.347 -1.600 0.946 1.00 0.00 H new ATOM 741 N ASN A 46 12.415 -3.243 -1.581 1.00 0.00 N ATOM 742 CA ASN A 46 11.930 -3.294 -2.958 1.00 0.00 C ATOM 743 C ASN A 46 10.477 -2.837 -3.055 1.00 0.00 C ATOM 744 O ASN A 46 9.542 -3.639 -3.012 1.00 0.00 O ATOM 745 CB ASN A 46 12.144 -4.677 -3.589 1.00 0.00 C ATOM 746 CG ASN A 46 11.748 -4.732 -5.060 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.215 -5.729 -5.523 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.011 -3.697 -5.840 1.00 0.00 N ATOM 0 H ASN A 46 11.768 -3.658 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 46 12.527 -2.591 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.193 -4.956 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.565 -5.416 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.769 -3.730 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.456 -2.866 -5.451 1.00 0.00 H new ATOM 755 N LEU A 47 10.308 -1.525 -3.217 1.00 0.00 N ATOM 756 CA LEU A 47 9.058 -0.848 -3.536 1.00 0.00 C ATOM 757 C LEU A 47 8.350 -1.501 -4.719 1.00 0.00 C ATOM 758 O LEU A 47 7.128 -1.608 -4.689 1.00 0.00 O ATOM 759 CB LEU A 47 9.362 0.628 -3.844 1.00 0.00 C ATOM 760 CG LEU A 47 8.160 1.449 -4.348 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.015 1.528 -3.332 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.617 2.861 -4.720 1.00 0.00 C ATOM 0 H LEU A 47 11.086 -0.872 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 47 8.388 -0.924 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.752 1.099 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.152 0.672 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 47 7.770 0.931 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.200 2.120 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.657 0.523 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.373 1.997 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.763 3.438 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.044 3.348 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.370 2.804 -5.506 1.00 0.00 H new ATOM 774 N ASP A 48 9.095 -1.950 -5.732 1.00 0.00 N ATOM 775 CA ASP A 48 8.519 -2.567 -6.929 1.00 0.00 C ATOM 776 C ASP A 48 7.594 -3.713 -6.537 1.00 0.00 C ATOM 777 O ASP A 48 6.418 -3.703 -6.888 1.00 0.00 O ATOM 778 CB ASP A 48 9.615 -3.061 -7.874 1.00 0.00 C ATOM 779 CG ASP A 48 9.078 -3.181 -9.291 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.229 -4.056 -9.555 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.517 -2.379 -10.142 1.00 0.00 O ATOM 0 H ASP A 48 10.113 -1.896 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 48 7.937 -1.811 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.459 -2.371 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.987 -4.028 -7.536 1.00 0.00 H new ATOM 786 N SER A 49 8.097 -4.619 -5.691 1.00 0.00 N ATOM 787 CA SER A 49 7.368 -5.759 -5.157 1.00 0.00 C ATOM 788 C SER A 49 6.022 -5.354 -4.534 1.00 0.00 C ATOM 789 O SER A 49 5.024 -6.066 -4.675 1.00 0.00 O ATOM 790 CB SER A 49 8.278 -6.449 -4.140 1.00 0.00 C ATOM 791 OG SER A 49 8.293 -7.848 -4.320 1.00 0.00 O ATOM 0 H SER A 49 9.058 -4.571 -5.352 1.00 0.00 H new ATOM 0 HA SER A 49 7.114 -6.444 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.291 -6.059 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.939 -6.215 -3.131 1.00 0.00 H new ATOM 0 HG SER A 49 8.885 -8.257 -3.655 1.00 0.00 H new ATOM 797 N VAL A 50 5.974 -4.206 -3.852 1.00 0.00 N ATOM 798 CA VAL A 50 4.756 -3.660 -3.273 1.00 0.00 C ATOM 799 C VAL A 50 3.828 -3.202 -4.403 1.00 0.00 C ATOM 800 O VAL A 50 2.658 -3.571 -4.414 1.00 0.00 O ATOM 801 CB VAL A 50 5.067 -2.488 -2.316 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.781 -2.016 -1.625 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.138 -2.763 -1.243 1.00 0.00 C ATOM 0 H VAL A 50 6.796 -3.625 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 50 4.264 -4.436 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 50 5.489 -1.717 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.011 -1.190 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.065 -1.683 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.352 -2.839 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.275 -1.873 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.817 -3.593 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.081 -3.018 -1.727 1.00 0.00 H new ATOM 813 N LEU A 51 4.305 -2.368 -5.330 1.00 0.00 N ATOM 814 CA LEU A 51 3.486 -1.776 -6.394 1.00 0.00 C ATOM 815 C LEU A 51 2.874 -2.868 -7.277 1.00 0.00 C ATOM 816 O LEU A 51 1.708 -2.767 -7.674 1.00 0.00 O ATOM 817 CB LEU A 51 4.344 -0.818 -7.239 1.00 0.00 C ATOM 818 CG LEU A 51 4.875 0.405 -6.465 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.998 1.090 -7.246 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.780 1.436 -6.178 1.00 0.00 C ATOM 0 H LEU A 51 5.283 -2.080 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 51 2.671 -1.214 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.190 -1.371 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.752 -0.469 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 51 5.250 0.027 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.360 1.951 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.816 0.386 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.619 1.421 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.206 2.277 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.359 1.791 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.994 0.975 -5.580 1.00 0.00 H new ATOM 832 N LYS A 52 3.649 -3.927 -7.515 1.00 0.00 N ATOM 833 CA LYS A 52 3.263 -5.162 -8.178 1.00 0.00 C ATOM 834 C LYS A 52 2.133 -5.815 -7.398 1.00 0.00 C ATOM 835 O LYS A 52 1.045 -6.011 -7.933 1.00 0.00 O ATOM 836 CB LYS A 52 4.501 -6.077 -8.269 1.00 0.00 C ATOM 837 CG LYS A 52 4.403 -7.125 -9.385 1.00 0.00 C ATOM 838 CD LYS A 52 4.876 -6.508 -10.709 1.00 0.00 C ATOM 839 CE LYS A 52 4.649 -7.445 -11.899 1.00 0.00 C ATOM 840 NZ LYS A 52 4.953 -6.780 -13.184 1.00 0.00 N ATOM 0 H LYS A 52 4.628 -3.940 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 52 2.902 -4.970 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.386 -5.463 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.639 -6.585 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.013 -7.994 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.375 -7.475 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.346 -5.571 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.936 -6.266 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.276 -8.330 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.614 -7.786 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.788 -7.445 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.338 -5.950 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.948 -6.477 -13.191 1.00 0.00 H new ATOM 854 N LYS A 53 2.361 -6.094 -6.108 1.00 0.00 N ATOM 855 CA LYS A 53 1.363 -6.711 -5.245 1.00 0.00 C ATOM 856 C LYS A 53 0.064 -5.909 -5.275 1.00 0.00 C ATOM 857 O LYS A 53 -0.997 -6.520 -5.328 1.00 0.00 O ATOM 858 CB LYS A 53 1.916 -6.869 -3.815 1.00 0.00 C ATOM 859 CG LYS A 53 1.014 -7.727 -2.915 1.00 0.00 C ATOM 860 CD LYS A 53 1.130 -9.236 -3.200 1.00 0.00 C ATOM 861 CE LYS A 53 2.198 -9.882 -2.307 1.00 0.00 C ATOM 862 NZ LYS A 53 2.905 -11.001 -2.966 1.00 0.00 N ATOM 0 H LYS A 53 3.245 -5.896 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 53 1.135 -7.710 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.907 -7.320 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.035 -5.883 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.270 -7.540 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.022 -7.417 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.167 -9.717 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.383 -9.394 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.924 -9.124 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.728 -10.245 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.613 -11.396 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.221 -11.740 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.380 -10.655 -3.824 1.00 0.00 H new ATOM 876 N LEU A 54 0.132 -4.573 -5.230 1.00 0.00 N ATOM 877 CA LEU A 54 -1.028 -3.697 -5.278 1.00 0.00 C ATOM 878 C LEU A 54 -1.842 -3.925 -6.552 1.00 0.00 C ATOM 879 O LEU A 54 -3.053 -4.125 -6.474 1.00 0.00 O ATOM 880 CB LEU A 54 -0.535 -2.249 -5.125 1.00 0.00 C ATOM 881 CG LEU A 54 -0.581 -1.731 -3.678 1.00 0.00 C ATOM 882 CD1 LEU A 54 -2.004 -1.299 -3.296 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.077 -2.682 -2.585 1.00 0.00 C ATOM 0 H LEU A 54 1.015 -4.068 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.712 -3.920 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.489 -2.182 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.143 -1.599 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 54 0.121 -0.897 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.011 -0.937 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.334 -0.503 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.679 -2.150 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.163 -2.197 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.676 -3.593 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.967 -2.933 -2.774 1.00 0.00 H new ATOM 895 N GLU A 55 -1.202 -3.923 -7.723 1.00 0.00 N ATOM 896 CA GLU A 55 -1.881 -4.177 -8.981 1.00 0.00 C ATOM 897 C GLU A 55 -2.489 -5.587 -8.949 1.00 0.00 C ATOM 898 O GLU A 55 -3.648 -5.779 -9.310 1.00 0.00 O ATOM 899 CB GLU A 55 -0.859 -4.016 -10.110 1.00 0.00 C ATOM 900 CG GLU A 55 -1.505 -4.140 -11.488 1.00 0.00 C ATOM 901 CD GLU A 55 -0.458 -4.428 -12.557 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.349 -3.534 -12.895 1.00 0.00 O ATOM 903 OE2 GLU A 55 -0.363 -5.604 -12.987 1.00 0.00 O ATOM 0 H GLU A 55 -0.202 -3.745 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.697 -3.473 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.373 -3.044 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.081 -4.772 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.247 -4.939 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.034 -3.218 -11.730 1.00 0.00 H new ATOM 910 N GLU A 56 -1.744 -6.582 -8.470 1.00 0.00 N ATOM 911 CA GLU A 56 -2.185 -7.970 -8.400 1.00 0.00 C ATOM 912 C GLU A 56 -3.241 -8.239 -7.315 1.00 0.00 C ATOM 913 O GLU A 56 -3.701 -9.377 -7.196 1.00 0.00 O ATOM 914 CB GLU A 56 -0.974 -8.887 -8.205 1.00 0.00 C ATOM 915 CG GLU A 56 -0.097 -9.023 -9.458 1.00 0.00 C ATOM 916 CD GLU A 56 0.451 -10.445 -9.522 1.00 0.00 C ATOM 917 OE1 GLU A 56 -0.287 -11.337 -10.008 1.00 0.00 O ATOM 918 OE2 GLU A 56 1.518 -10.725 -8.940 1.00 0.00 O ATOM 0 H GLU A 56 -0.799 -6.441 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.676 -8.185 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.366 -8.502 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.322 -9.876 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.680 -8.802 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.722 -8.304 -9.426 1.00 0.00 H new ATOM 925 N ILE A 57 -3.667 -7.241 -6.534 1.00 0.00 N ATOM 926 CA ILE A 57 -4.869 -7.332 -5.705 1.00 0.00 C ATOM 927 C ILE A 57 -6.024 -6.516 -6.306 1.00 0.00 C ATOM 928 O ILE A 57 -7.049 -6.356 -5.635 1.00 0.00 O ATOM 929 CB ILE A 57 -4.576 -7.040 -4.215 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.138 -5.589 -3.966 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.576 -8.054 -3.622 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.327 -5.124 -2.521 1.00 0.00 C ATOM 0 H ILE A 57 -3.185 -6.345 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.212 -8.367 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.520 -7.165 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.087 -5.486 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.703 -4.931 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.395 -7.816 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.988 -9.060 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.637 -8.003 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.995 -4.090 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.381 -5.193 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.740 -5.757 -1.855 1.00 0.00 H new ATOM 944 N ASP A 58 -5.905 -6.084 -7.571 1.00 0.00 N ATOM 945 CA ASP A 58 -6.833 -5.262 -8.366 1.00 0.00 C ATOM 946 C ASP A 58 -6.806 -3.773 -8.002 1.00 0.00 C ATOM 947 O ASP A 58 -7.727 -3.045 -8.369 1.00 0.00 O ATOM 948 CB ASP A 58 -8.261 -5.818 -8.230 1.00 0.00 C ATOM 949 CG ASP A 58 -9.233 -5.371 -9.310 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.978 -5.644 -10.501 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.327 -4.867 -8.954 1.00 0.00 O ATOM 0 H ASP A 58 -5.077 -6.324 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.498 -5.324 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.212 -6.907 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.659 -5.521 -7.260 1.00 0.00 H new ATOM 956 N TYR A 59 -5.778 -3.314 -7.272 1.00 0.00 N ATOM 957 CA TYR A 59 -5.699 -1.968 -6.713 1.00 0.00 C ATOM 958 C TYR A 59 -4.523 -1.220 -7.373 1.00 0.00 C ATOM 959 O TYR A 59 -3.437 -1.130 -6.790 1.00 0.00 O ATOM 960 CB TYR A 59 -5.536 -2.015 -5.181 1.00 0.00 C ATOM 961 CG TYR A 59 -6.732 -2.409 -4.317 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.639 -3.426 -4.675 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.916 -1.748 -3.091 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.727 -3.754 -3.853 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.989 -2.077 -2.248 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.925 -3.055 -2.647 1.00 0.00 C ATOM 967 OH TYR A 59 -10.027 -3.299 -1.894 1.00 0.00 O ATOM 0 H TYR A 59 -4.963 -3.887 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.627 -1.435 -6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.727 -2.711 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.207 -1.028 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.494 -3.963 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.222 -0.976 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.410 -4.539 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.098 -1.582 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.535 -2.469 -1.780 1.00 0.00 H new ATOM 977 N PRO A 60 -4.688 -0.679 -8.591 1.00 0.00 N ATOM 978 CA PRO A 60 -3.648 0.082 -9.266 1.00 0.00 C ATOM 979 C PRO A 60 -3.402 1.382 -8.494 1.00 0.00 C ATOM 980 O PRO A 60 -4.329 2.163 -8.246 1.00 0.00 O ATOM 981 CB PRO A 60 -4.147 0.310 -10.697 1.00 0.00 C ATOM 982 CG PRO A 60 -5.665 0.251 -10.546 1.00 0.00 C ATOM 983 CD PRO A 60 -5.869 -0.772 -9.427 1.00 0.00 C ATOM 0 HA PRO A 60 -2.689 -0.435 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.818 1.272 -11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.779 -0.456 -11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.081 1.223 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.149 -0.063 -11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.771 -0.553 -8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.984 -1.777 -9.832 1.00 0.00 H new ATOM 991 N VAL A 61 -2.163 1.602 -8.066 1.00 0.00 N ATOM 992 CA VAL A 61 -1.749 2.820 -7.385 1.00 0.00 C ATOM 993 C VAL A 61 -1.714 3.977 -8.404 1.00 0.00 C ATOM 994 O VAL A 61 -1.357 3.783 -9.570 1.00 0.00 O ATOM 995 CB VAL A 61 -0.408 2.523 -6.675 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.738 2.187 -7.633 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.029 3.643 -5.730 1.00 0.00 C ATOM 0 H VAL A 61 -1.408 0.927 -8.185 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.448 3.141 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.619 1.631 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.645 1.991 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.478 1.303 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.908 3.028 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.976 3.375 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.151 4.568 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.729 3.785 -4.959 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.078 5.192 -7.985 1.00 0.00 N ATOM 1008 CA GLU A 62 -1.960 6.369 -8.843 1.00 0.00 C ATOM 1009 C GLU A 62 -0.486 6.796 -8.904 1.00 0.00 C ATOM 1010 O GLU A 62 0.093 6.957 -9.978 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.876 7.494 -8.330 1.00 0.00 C ATOM 1012 CG GLU A 62 -2.877 8.701 -9.284 1.00 0.00 C ATOM 1013 CD GLU A 62 -3.820 9.828 -8.841 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.041 9.807 -9.143 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.339 10.788 -8.203 1.00 0.00 O ATOM 0 H GLU A 62 -2.456 5.384 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.286 6.135 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.892 7.115 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.545 7.811 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.863 9.095 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.166 8.367 -10.281 1.00 0.00 H new ATOM 1022 N SER A 63 0.150 7.004 -7.750 1.00 0.00 N ATOM 1023 CA SER A 63 1.552 7.396 -7.612 1.00 0.00 C ATOM 1024 C SER A 63 2.040 7.047 -6.202 1.00 0.00 C ATOM 1025 O SER A 63 1.265 6.563 -5.375 1.00 0.00 O ATOM 1026 CB SER A 63 1.690 8.905 -7.865 1.00 0.00 C ATOM 1027 OG SER A 63 1.419 9.216 -9.220 1.00 0.00 O ATOM 0 H SER A 63 -0.318 6.899 -6.850 1.00 0.00 H new ATOM 0 HA SER A 63 2.159 6.860 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.003 9.451 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.698 9.231 -7.607 1.00 0.00 H new ATOM 0 HG SER A 63 1.064 8.423 -9.673 1.00 0.00 H new ATOM 1033 N TYR A 64 3.316 7.294 -5.925 1.00 0.00 N ATOM 1034 CA TYR A 64 3.939 7.186 -4.617 1.00 0.00 C ATOM 1035 C TYR A 64 4.911 8.364 -4.466 1.00 0.00 C ATOM 1036 O TYR A 64 5.081 9.146 -5.401 1.00 0.00 O ATOM 1037 CB TYR A 64 4.649 5.828 -4.494 1.00 0.00 C ATOM 1038 CG TYR A 64 5.656 5.571 -5.597 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.911 6.208 -5.573 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.302 4.761 -6.694 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.791 6.065 -6.654 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.200 4.580 -7.759 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.446 5.243 -7.745 1.00 0.00 C ATOM 1044 OH TYR A 64 8.314 5.083 -8.780 1.00 0.00 O ATOM 0 H TYR A 64 3.974 7.590 -6.646 1.00 0.00 H new ATOM 0 HA TYR A 64 3.200 7.232 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.156 5.778 -3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.902 5.034 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.196 6.807 -4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.337 4.277 -6.716 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.737 6.587 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.938 3.936 -8.585 1.00 0.00 H new ATOM 0 HH TYR A 64 7.920 4.484 -9.448 1.00 0.00 H new ATOM 1054 N GLN A 65 5.560 8.489 -3.309 1.00 0.00 N ATOM 1055 CA GLN A 65 6.638 9.436 -3.052 1.00 0.00 C ATOM 1056 C GLN A 65 7.405 8.969 -1.823 1.00 0.00 C ATOM 1057 O GLN A 65 6.780 8.467 -0.887 1.00 0.00 O ATOM 1058 CB GLN A 65 6.059 10.841 -2.824 1.00 0.00 C ATOM 1059 CG GLN A 65 5.081 10.948 -1.652 1.00 0.00 C ATOM 1060 CD GLN A 65 4.090 12.080 -1.859 1.00 0.00 C ATOM 1061 OE1 GLN A 65 2.987 11.865 -2.352 1.00 0.00 O ATOM 1062 NE2 GLN A 65 4.471 13.304 -1.543 1.00 0.00 N ATOM 0 H GLN A 65 5.340 7.912 -2.497 1.00 0.00 H new ATOM 0 HA GLN A 65 7.311 9.482 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.882 11.536 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.551 11.162 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.542 10.007 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.635 11.112 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.392 13.462 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.844 14.092 -1.708 1.00 0.00 H new ATOM 1071 N GLU A 66 8.727 9.093 -1.815 1.00 0.00 N ATOM 1072 CA GLU A 66 9.559 8.759 -0.681 1.00 0.00 C ATOM 1073 C GLU A 66 9.347 9.746 0.470 1.00 0.00 C ATOM 1074 O GLU A 66 9.143 10.947 0.241 1.00 0.00 O ATOM 1075 CB GLU A 66 11.029 8.752 -1.130 1.00 0.00 C ATOM 1076 CG GLU A 66 11.751 7.718 -0.274 1.00 0.00 C ATOM 1077 CD GLU A 66 13.249 7.593 -0.532 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.668 7.816 -1.695 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.948 7.217 0.435 1.00 0.00 O ATOM 0 H GLU A 66 9.255 9.436 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 66 9.284 7.771 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.108 8.500 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.476 9.738 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.599 7.969 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.288 6.745 -0.440 1.00 0.00 H new ATOM 1086 N VAL A 67 9.436 9.253 1.709 1.00 0.00 N ATOM 1087 CA VAL A 67 9.489 10.072 2.918 1.00 0.00 C ATOM 1088 C VAL A 67 10.570 9.534 3.845 1.00 0.00 C ATOM 1089 O VAL A 67 11.531 8.907 3.344 1.00 0.00 O ATOM 1090 CB VAL A 67 8.089 10.257 3.554 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.123 10.919 2.582 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.391 8.980 4.038 1.00 0.00 C ATOM 0 H VAL A 67 9.474 8.252 1.901 1.00 0.00 H new ATOM 0 HA VAL A 67 9.784 11.092 2.671 1.00 0.00 H new ATOM 0 HB VAL A 67 8.310 10.872 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.150 11.035 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.507 11.899 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.020 10.298 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.420 9.235 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.251 8.301 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.004 8.496 4.798 1.00 0.00 H new