USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 Single : A 3 SER OG : rot -79:sc= 1.09 USER MOD Single : A 4 TYR OH : rot -121:sc= -0.341 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.056 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0084 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0579) USER MOD Single : A 23 TYR OH : rot -42:sc= 0.54 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0595 (180deg=-0.428) USER MOD Single : A 29 GLN : amide:sc= -0.053 X(o=-0.053,f=0.13) USER MOD Single : A 31 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.75) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.12) USER MOD Single : A 35 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.2) USER MOD Single : A 38 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.7!) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0672) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 1.26 (180deg=0.255) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.043 (180deg=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.15) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.7!) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.0344 (180deg=-0.261) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.722 -0.092 7.703 1.00 0.00 N ATOM 31 CA SER A 3 -6.355 0.019 8.201 1.00 0.00 C ATOM 32 C SER A 3 -5.465 0.686 7.159 1.00 0.00 C ATOM 33 O SER A 3 -4.262 0.454 7.105 1.00 0.00 O ATOM 34 CB SER A 3 -5.807 -1.358 8.583 1.00 0.00 C ATOM 35 OG SER A 3 -6.486 -1.870 9.718 1.00 0.00 O ATOM 0 HA SER A 3 -6.361 0.640 9.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.920 -2.045 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.740 -1.285 8.794 1.00 0.00 H new ATOM 0 HG SER A 3 -6.135 -1.445 10.528 1.00 0.00 H new ATOM 41 N TYR A 4 -6.074 1.544 6.356 1.00 0.00 N ATOM 42 CA TYR A 4 -5.405 2.150 5.215 1.00 0.00 C ATOM 43 C TYR A 4 -4.325 3.133 5.663 1.00 0.00 C ATOM 44 O TYR A 4 -3.243 3.203 5.066 1.00 0.00 O ATOM 45 CB TYR A 4 -6.464 2.798 4.309 1.00 0.00 C ATOM 46 CG TYR A 4 -6.235 4.242 3.925 1.00 0.00 C ATOM 47 CD1 TYR A 4 -5.264 4.605 2.999 1.00 0.00 C ATOM 48 CD2 TYR A 4 -7.025 5.243 4.471 1.00 0.00 C ATOM 49 CE1 TYR A 4 -5.085 5.926 2.637 1.00 0.00 C ATOM 50 CE2 TYR A 4 -6.859 6.562 4.107 1.00 0.00 C ATOM 51 CZ TYR A 4 -5.888 6.898 3.191 1.00 0.00 C ATOM 52 OH TYR A 4 -5.728 8.210 2.819 1.00 0.00 O ATOM 0 H TYR A 4 -7.043 1.839 6.476 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.884 1.385 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.536 2.210 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -7.430 2.728 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.640 3.843 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.784 4.984 5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.320 6.195 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.487 7.328 4.538 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.511 8.749 3.608 1.00 0.00 H new ATOM 62 N TYR A 5 -4.607 3.867 6.728 1.00 0.00 N ATOM 63 CA TYR A 5 -3.603 4.734 7.330 1.00 0.00 C ATOM 64 C TYR A 5 -2.414 3.903 7.820 1.00 0.00 C ATOM 65 O TYR A 5 -1.270 4.354 7.784 1.00 0.00 O ATOM 66 CB TYR A 5 -4.209 5.567 8.477 1.00 0.00 C ATOM 67 CG TYR A 5 -4.652 4.767 9.686 1.00 0.00 C ATOM 68 CD1 TYR A 5 -5.815 4.005 9.660 1.00 0.00 C ATOM 69 CD2 TYR A 5 -3.902 4.778 10.857 1.00 0.00 C ATOM 70 CE1 TYR A 5 -6.215 3.276 10.765 1.00 0.00 C ATOM 71 CE2 TYR A 5 -4.294 4.049 11.963 1.00 0.00 C ATOM 72 CZ TYR A 5 -5.451 3.300 11.913 1.00 0.00 C ATOM 73 OH TYR A 5 -5.840 2.560 13.010 1.00 0.00 O ATOM 0 H TYR A 5 -5.515 3.881 7.192 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.247 5.431 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.473 6.305 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.066 6.119 8.091 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.415 3.982 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.998 5.367 10.903 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.122 2.690 10.729 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.697 4.066 12.863 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.193 2.686 13.735 1.00 0.00 H new ATOM 83 N GLU A 6 -2.700 2.684 8.268 1.00 0.00 N ATOM 84 CA GLU A 6 -1.669 1.779 8.769 1.00 0.00 C ATOM 85 C GLU A 6 -0.851 1.174 7.632 1.00 0.00 C ATOM 86 O GLU A 6 0.375 1.108 7.705 1.00 0.00 O ATOM 87 CB GLU A 6 -2.296 0.644 9.580 1.00 0.00 C ATOM 88 CG GLU A 6 -3.505 1.068 10.392 1.00 0.00 C ATOM 89 CD GLU A 6 -3.895 0.061 11.456 1.00 0.00 C ATOM 90 OE1 GLU A 6 -3.026 -0.322 12.268 1.00 0.00 O ATOM 91 OE2 GLU A 6 -5.079 -0.327 11.504 1.00 0.00 O ATOM 0 H GLU A 6 -3.644 2.298 8.294 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.009 2.370 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.589 -0.157 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.544 0.232 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.297 2.027 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.349 1.222 9.720 1.00 0.00 H new ATOM 98 N ILE A 7 -1.542 0.742 6.580 1.00 0.00 N ATOM 99 CA ILE A 7 -0.922 -0.061 5.531 1.00 0.00 C ATOM 100 C ILE A 7 0.053 0.741 4.675 1.00 0.00 C ATOM 101 O ILE A 7 1.126 0.247 4.325 1.00 0.00 O ATOM 102 CB ILE A 7 -1.975 -0.719 4.621 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.951 0.328 4.124 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.723 -1.807 5.371 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.682 -0.061 2.867 1.00 0.00 C ATOM 0 H ILE A 7 -2.533 0.935 6.432 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.360 -0.837 6.050 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.466 -1.171 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.681 0.530 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.410 1.257 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.463 -2.261 4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.019 -2.569 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.225 -1.373 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.361 0.741 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.963 -0.234 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.253 -0.972 3.045 1.00 0.00 H new ATOM 117 N LEU A 8 -0.301 1.977 4.348 1.00 0.00 N ATOM 118 CA LEU A 8 0.548 2.780 3.477 1.00 0.00 C ATOM 119 C LEU A 8 1.492 3.630 4.301 1.00 0.00 C ATOM 120 O LEU A 8 2.676 3.306 4.435 1.00 0.00 O ATOM 121 CB LEU A 8 -0.290 3.683 2.566 1.00 0.00 C ATOM 122 CG LEU A 8 -1.494 3.010 1.932 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.283 4.007 1.105 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.064 1.826 1.076 1.00 0.00 C ATOM 0 H LEU A 8 -1.153 2.439 4.665 1.00 0.00 H new ATOM 0 HA LEU A 8 1.125 2.097 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.634 4.540 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.351 4.070 1.774 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.136 2.636 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.143 3.509 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.627 4.819 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.647 4.411 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.943 1.360 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.398 2.172 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.542 1.098 1.697 1.00 0.00 H new ATOM 136 N ASP A 9 0.934 4.691 4.879 1.00 0.00 N ATOM 137 CA ASP A 9 1.714 5.682 5.625 1.00 0.00 C ATOM 138 C ASP A 9 0.851 6.883 5.994 1.00 0.00 C ATOM 139 O ASP A 9 1.109 7.566 6.985 1.00 0.00 O ATOM 140 CB ASP A 9 2.918 6.167 4.804 1.00 0.00 C ATOM 141 CG ASP A 9 3.769 7.175 5.552 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.567 6.759 6.415 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.650 8.387 5.275 1.00 0.00 O ATOM 0 H ASP A 9 -0.066 4.890 4.845 1.00 0.00 H new ATOM 0 HA ASP A 9 2.071 5.197 6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.534 5.311 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.563 6.615 3.876 1.00 0.00 H new ATOM 148 N VAL A 10 -0.205 7.109 5.226 1.00 0.00 N ATOM 149 CA VAL A 10 -0.979 8.337 5.346 1.00 0.00 C ATOM 150 C VAL A 10 -2.425 8.053 5.745 1.00 0.00 C ATOM 151 O VAL A 10 -2.968 6.991 5.436 1.00 0.00 O ATOM 152 CB VAL A 10 -0.966 9.119 4.013 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.448 9.548 3.663 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.558 8.280 2.889 1.00 0.00 C ATOM 0 H VAL A 10 -0.545 6.461 4.515 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.513 8.936 6.128 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.581 10.011 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.439 10.097 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.840 10.188 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.081 8.667 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.539 8.850 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.972 7.369 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.588 8.019 3.133 1.00 0.00 H new ATOM 164 N PRO A 11 -3.052 9.009 6.451 1.00 0.00 N ATOM 165 CA PRO A 11 -4.416 8.876 6.955 1.00 0.00 C ATOM 166 C PRO A 11 -5.470 9.409 5.981 1.00 0.00 C ATOM 167 O PRO A 11 -5.145 9.930 4.917 1.00 0.00 O ATOM 168 CB PRO A 11 -4.365 9.742 8.209 1.00 0.00 C ATOM 169 CG PRO A 11 -3.428 10.852 7.864 1.00 0.00 C ATOM 170 CD PRO A 11 -2.465 10.306 6.838 1.00 0.00 C ATOM 0 HA PRO A 11 -4.704 7.838 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.353 10.123 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.008 9.174 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.973 11.708 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.895 11.197 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.373 10.974 5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.465 10.183 7.255 1.00 0.00 H new ATOM 178 N ARG A 12 -6.732 9.310 6.407 1.00 0.00 N ATOM 179 CA ARG A 12 -7.905 9.506 5.540 1.00 0.00 C ATOM 180 C ARG A 12 -7.970 10.894 4.911 1.00 0.00 C ATOM 181 O ARG A 12 -8.747 11.114 3.980 1.00 0.00 O ATOM 182 CB ARG A 12 -9.185 9.285 6.345 1.00 0.00 C ATOM 183 CG ARG A 12 -9.215 7.978 7.112 1.00 0.00 C ATOM 184 CD ARG A 12 -10.398 7.931 8.066 1.00 0.00 C ATOM 185 NE ARG A 12 -10.392 9.068 8.989 1.00 0.00 N ATOM 186 CZ ARG A 12 -11.465 9.811 9.262 1.00 0.00 C ATOM 187 NH1 ARG A 12 -12.648 9.478 8.758 1.00 0.00 N ATOM 188 NH2 ARG A 12 -11.357 10.873 10.055 1.00 0.00 N ATOM 0 H ARG A 12 -6.974 9.089 7.373 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.809 8.780 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.306 10.109 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.038 9.316 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.274 7.144 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.287 7.860 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.327 7.930 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.372 7.001 8.634 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.514 9.306 9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.735 8.654 8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.469 10.046 8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.452 11.120 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.179 11.440 10.263 1.00 0.00 H new ATOM 202 N SER A 13 -7.189 11.827 5.433 1.00 0.00 N ATOM 203 CA SER A 13 -7.194 13.194 4.930 1.00 0.00 C ATOM 204 C SER A 13 -6.319 13.351 3.685 1.00 0.00 C ATOM 205 O SER A 13 -6.308 14.411 3.055 1.00 0.00 O ATOM 206 CB SER A 13 -6.743 14.155 6.027 1.00 0.00 C ATOM 207 OG SER A 13 -5.713 13.584 6.821 1.00 0.00 O ATOM 0 H SER A 13 -6.543 11.664 6.205 1.00 0.00 H new ATOM 0 HA SER A 13 -8.215 13.436 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.387 15.082 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.592 14.413 6.660 1.00 0.00 H new ATOM 0 HG SER A 13 -5.443 14.222 7.514 1.00 0.00 H new ATOM 213 N ALA A 14 -5.592 12.300 3.334 1.00 0.00 N ATOM 214 CA ALA A 14 -4.744 12.315 2.163 1.00 0.00 C ATOM 215 C ALA A 14 -5.554 12.050 0.896 1.00 0.00 C ATOM 216 O ALA A 14 -6.411 11.162 0.861 1.00 0.00 O ATOM 217 CB ALA A 14 -3.650 11.280 2.326 1.00 0.00 C ATOM 0 H ALA A 14 -5.577 11.422 3.852 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.294 13.303 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.008 11.288 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.057 11.514 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.097 10.293 2.440 1.00 0.00 H new ATOM 223 N SER A 15 -5.286 12.840 -0.136 1.00 0.00 N ATOM 224 CA SER A 15 -5.959 12.691 -1.418 1.00 0.00 C ATOM 225 C SER A 15 -5.320 11.572 -2.233 1.00 0.00 C ATOM 226 O SER A 15 -4.220 11.123 -1.916 1.00 0.00 O ATOM 227 CB SER A 15 -5.917 14.011 -2.197 1.00 0.00 C ATOM 228 OG SER A 15 -6.761 13.962 -3.336 1.00 0.00 O ATOM 0 H SER A 15 -4.602 13.596 -0.108 1.00 0.00 H new ATOM 0 HA SER A 15 -7.000 12.428 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.226 14.830 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.894 14.220 -2.508 1.00 0.00 H new ATOM 0 HG SER A 15 -6.716 14.817 -3.813 1.00 0.00 H new ATOM 234 N ALA A 16 -6.002 11.142 -3.285 1.00 0.00 N ATOM 235 CA ALA A 16 -5.586 9.971 -4.060 1.00 0.00 C ATOM 236 C ALA A 16 -4.127 10.057 -4.513 1.00 0.00 C ATOM 237 O ALA A 16 -3.378 9.085 -4.400 1.00 0.00 O ATOM 238 CB ALA A 16 -6.497 9.788 -5.263 1.00 0.00 C ATOM 0 H ALA A 16 -6.853 11.588 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.669 9.105 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.178 8.914 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.523 9.645 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.444 10.673 -5.897 1.00 0.00 H new ATOM 244 N ASP A 17 -3.720 11.226 -4.995 1.00 0.00 N ATOM 245 CA ASP A 17 -2.346 11.427 -5.456 1.00 0.00 C ATOM 246 C ASP A 17 -1.350 11.322 -4.308 1.00 0.00 C ATOM 247 O ASP A 17 -0.220 10.867 -4.492 1.00 0.00 O ATOM 248 CB ASP A 17 -2.191 12.769 -6.175 1.00 0.00 C ATOM 249 CG ASP A 17 -2.380 12.646 -7.673 1.00 0.00 C ATOM 250 OD1 ASP A 17 -1.484 12.093 -8.344 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.428 13.089 -8.189 1.00 0.00 O ATOM 0 H ASP A 17 -4.318 12.048 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.127 10.630 -6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.917 13.478 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.201 13.177 -5.968 1.00 0.00 H new ATOM 256 N ASP A 18 -1.763 11.750 -3.123 1.00 0.00 N ATOM 257 CA ASP A 18 -0.903 11.672 -1.948 1.00 0.00 C ATOM 258 C ASP A 18 -0.679 10.212 -1.560 1.00 0.00 C ATOM 259 O ASP A 18 0.432 9.820 -1.204 1.00 0.00 O ATOM 260 CB ASP A 18 -1.510 12.441 -0.775 1.00 0.00 C ATOM 261 CG ASP A 18 -0.488 12.743 0.304 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.269 13.729 0.146 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.425 12.007 1.304 1.00 0.00 O ATOM 0 H ASP A 18 -2.684 12.153 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 18 0.056 12.128 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.939 13.375 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.327 11.861 -0.347 1.00 0.00 H new ATOM 268 N ILE A 19 -1.744 9.412 -1.648 1.00 0.00 N ATOM 269 CA ILE A 19 -1.642 7.965 -1.446 1.00 0.00 C ATOM 270 C ILE A 19 -0.698 7.357 -2.481 1.00 0.00 C ATOM 271 O ILE A 19 0.127 6.495 -2.163 1.00 0.00 O ATOM 272 CB ILE A 19 -3.029 7.271 -1.532 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.784 7.420 -0.218 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.909 5.802 -1.902 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.451 8.756 -0.076 1.00 0.00 C ATOM 0 H ILE A 19 -2.686 9.741 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.246 7.800 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.589 7.767 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.536 6.635 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.092 7.275 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.903 5.357 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.422 5.710 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.316 5.284 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.973 8.802 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.699 9.544 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.166 8.894 -0.887 1.00 0.00 H new ATOM 287 N LYS A 20 -0.822 7.831 -3.714 1.00 0.00 N ATOM 288 CA LYS A 20 0.053 7.419 -4.803 1.00 0.00 C ATOM 289 C LYS A 20 1.512 7.665 -4.428 1.00 0.00 C ATOM 290 O LYS A 20 2.381 6.818 -4.650 1.00 0.00 O ATOM 291 CB LYS A 20 -0.310 8.203 -6.065 1.00 0.00 C ATOM 292 CG LYS A 20 0.530 7.864 -7.284 1.00 0.00 C ATOM 293 CD LYS A 20 0.242 8.827 -8.421 1.00 0.00 C ATOM 294 CE LYS A 20 -1.218 8.785 -8.835 1.00 0.00 C ATOM 295 NZ LYS A 20 -1.547 9.866 -9.798 1.00 0.00 N ATOM 0 H LYS A 20 -1.531 8.511 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.078 6.353 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.359 8.021 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.210 9.268 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.588 7.906 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.320 6.843 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.505 9.840 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.870 8.579 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.441 7.817 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.850 8.880 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.552 9.805 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.358 10.790 -9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.962 9.761 -10.651 1.00 0.00 H new ATOM 309 N LYS A 21 1.771 8.828 -3.843 1.00 0.00 N ATOM 310 CA LYS A 21 3.110 9.176 -3.399 1.00 0.00 C ATOM 311 C LYS A 21 3.534 8.327 -2.209 1.00 0.00 C ATOM 312 O LYS A 21 4.702 7.967 -2.087 1.00 0.00 O ATOM 313 CB LYS A 21 3.202 10.658 -3.038 1.00 0.00 C ATOM 314 CG LYS A 21 3.047 11.595 -4.227 1.00 0.00 C ATOM 315 CD LYS A 21 4.024 11.265 -5.353 1.00 0.00 C ATOM 316 CE LYS A 21 5.463 11.181 -4.867 1.00 0.00 C ATOM 317 NZ LYS A 21 5.894 12.416 -4.155 1.00 0.00 N ATOM 0 H LYS A 21 1.068 9.546 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 21 3.788 8.975 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.432 10.891 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.165 10.847 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.026 11.534 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.205 12.623 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.741 10.316 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.950 12.026 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.569 10.325 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.122 11.007 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.918 12.375 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.677 13.248 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.389 12.489 -3.249 1.00 0.00 H new ATOM 331 N ALA A 22 2.588 8.010 -1.337 1.00 0.00 N ATOM 332 CA ALA A 22 2.864 7.163 -0.183 1.00 0.00 C ATOM 333 C ALA A 22 3.356 5.793 -0.633 1.00 0.00 C ATOM 334 O ALA A 22 4.304 5.242 -0.072 1.00 0.00 O ATOM 335 CB ALA A 22 1.625 7.023 0.689 1.00 0.00 C ATOM 0 H ALA A 22 1.621 8.326 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 22 3.648 7.635 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.852 6.387 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.314 8.007 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.820 6.574 0.107 1.00 0.00 H new ATOM 341 N TYR A 23 2.710 5.256 -1.659 1.00 0.00 N ATOM 342 CA TYR A 23 3.132 4.002 -2.263 1.00 0.00 C ATOM 343 C TYR A 23 4.524 4.135 -2.876 1.00 0.00 C ATOM 344 O TYR A 23 5.372 3.260 -2.704 1.00 0.00 O ATOM 345 CB TYR A 23 2.096 3.559 -3.309 1.00 0.00 C ATOM 346 CG TYR A 23 2.641 2.717 -4.450 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.961 1.377 -4.270 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.822 3.268 -5.713 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.448 0.612 -5.313 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.304 2.508 -6.762 1.00 0.00 C ATOM 351 CZ TYR A 23 3.616 1.181 -6.556 1.00 0.00 C ATOM 352 OH TYR A 23 4.095 0.419 -7.597 1.00 0.00 O ATOM 0 H TYR A 23 1.886 5.674 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 23 3.193 3.236 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.314 2.993 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.625 4.448 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.827 0.925 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.582 4.308 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.696 -0.427 -5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.436 2.951 -7.738 1.00 0.00 H new ATOM 0 HH TYR A 23 4.824 -0.152 -7.276 1.00 0.00 H new ATOM 362 N ARG A 24 4.762 5.243 -3.568 1.00 0.00 N ATOM 363 CA ARG A 24 6.046 5.474 -4.221 1.00 0.00 C ATOM 364 C ARG A 24 7.175 5.688 -3.214 1.00 0.00 C ATOM 365 O ARG A 24 8.256 5.128 -3.372 1.00 0.00 O ATOM 366 CB ARG A 24 5.960 6.669 -5.174 1.00 0.00 C ATOM 367 CG ARG A 24 5.242 6.362 -6.471 1.00 0.00 C ATOM 368 CD ARG A 24 4.960 7.636 -7.234 1.00 0.00 C ATOM 369 NE ARG A 24 6.183 8.381 -7.543 1.00 0.00 N ATOM 370 CZ ARG A 24 6.196 9.556 -8.174 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.077 10.049 -8.698 1.00 0.00 N ATOM 372 NH2 ARG A 24 7.335 10.222 -8.309 1.00 0.00 N ATOM 0 H ARG A 24 4.084 5.995 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 24 6.279 4.575 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.447 7.488 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.968 7.015 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.850 5.693 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.307 5.842 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.440 7.394 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.291 8.267 -6.649 1.00 0.00 H new ATOM 0 HE ARG A 24 7.076 7.978 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.204 9.528 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.092 10.948 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.200 9.835 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.346 11.121 -8.791 1.00 0.00 H new ATOM 386 N ARG A 25 6.933 6.485 -2.179 1.00 0.00 N ATOM 387 CA ARG A 25 7.972 6.763 -1.190 1.00 0.00 C ATOM 388 C ARG A 25 8.328 5.495 -0.418 1.00 0.00 C ATOM 389 O ARG A 25 9.479 5.291 -0.027 1.00 0.00 O ATOM 390 CB ARG A 25 7.548 7.873 -0.219 1.00 0.00 C ATOM 391 CG ARG A 25 6.370 7.511 0.675 1.00 0.00 C ATOM 392 CD ARG A 25 6.297 8.422 1.890 1.00 0.00 C ATOM 393 NE ARG A 25 7.523 8.351 2.684 1.00 0.00 N ATOM 394 CZ ARG A 25 7.665 8.857 3.905 1.00 0.00 C ATOM 395 NH1 ARG A 25 6.653 9.475 4.506 1.00 0.00 N ATOM 396 NH2 ARG A 25 8.830 8.730 4.524 1.00 0.00 N ATOM 0 H ARG A 25 6.040 6.945 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 25 8.853 7.111 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.399 8.133 0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.292 8.763 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.443 7.585 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.463 6.475 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.130 9.449 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.445 8.140 2.508 1.00 0.00 H new ATOM 0 HE ARG A 25 8.327 7.879 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.755 9.565 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.774 9.859 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.603 8.249 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.954 9.113 5.461 1.00 0.00 H new ATOM 410 N LYS A 26 7.331 4.650 -0.212 1.00 0.00 N ATOM 411 CA LYS A 26 7.529 3.371 0.447 1.00 0.00 C ATOM 412 C LYS A 26 8.310 2.441 -0.470 1.00 0.00 C ATOM 413 O LYS A 26 9.241 1.759 -0.047 1.00 0.00 O ATOM 414 CB LYS A 26 6.164 2.772 0.766 1.00 0.00 C ATOM 415 CG LYS A 26 6.207 1.498 1.583 1.00 0.00 C ATOM 416 CD LYS A 26 4.818 0.907 1.694 1.00 0.00 C ATOM 417 CE LYS A 26 4.694 -0.053 2.865 1.00 0.00 C ATOM 418 NZ LYS A 26 4.863 0.636 4.175 1.00 0.00 N ATOM 0 H LYS A 26 6.368 4.830 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 26 8.094 3.505 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.574 3.513 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.643 2.570 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.881 0.779 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.603 1.707 2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.091 1.711 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.573 0.384 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.718 -0.538 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.443 -0.839 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.434 0.061 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.876 0.764 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.397 1.565 4.141 1.00 0.00 H new ATOM 432 N ALA A 27 7.921 2.445 -1.737 1.00 0.00 N ATOM 433 CA ALA A 27 8.616 1.687 -2.772 1.00 0.00 C ATOM 434 C ALA A 27 10.088 2.082 -2.864 1.00 0.00 C ATOM 435 O ALA A 27 10.969 1.226 -2.895 1.00 0.00 O ATOM 436 CB ALA A 27 7.938 1.903 -4.118 1.00 0.00 C ATOM 0 H ALA A 27 7.117 2.972 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 27 8.567 0.632 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.463 1.334 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.902 1.567 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.963 2.963 -4.372 1.00 0.00 H new ATOM 442 N LEU A 28 10.344 3.386 -2.899 1.00 0.00 N ATOM 443 CA LEU A 28 11.704 3.908 -3.011 1.00 0.00 C ATOM 444 C LEU A 28 12.550 3.516 -1.804 1.00 0.00 C ATOM 445 O LEU A 28 13.733 3.201 -1.942 1.00 0.00 O ATOM 446 CB LEU A 28 11.681 5.433 -3.163 1.00 0.00 C ATOM 447 CG LEU A 28 11.694 5.958 -4.605 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.591 5.323 -5.436 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.554 7.470 -4.618 1.00 0.00 C ATOM 0 H LEU A 28 9.623 4.106 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 28 12.156 3.468 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.791 5.816 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.543 5.845 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 28 12.651 5.685 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.628 5.717 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.730 4.242 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.622 5.554 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.565 7.828 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.613 7.752 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.383 7.917 -4.070 1.00 0.00 H new ATOM 461 N GLN A 29 11.929 3.517 -0.630 1.00 0.00 N ATOM 462 CA GLN A 29 12.615 3.167 0.609 1.00 0.00 C ATOM 463 C GLN A 29 13.108 1.718 0.572 1.00 0.00 C ATOM 464 O GLN A 29 14.132 1.384 1.172 1.00 0.00 O ATOM 465 CB GLN A 29 11.669 3.380 1.797 1.00 0.00 C ATOM 466 CG GLN A 29 12.292 3.101 3.158 1.00 0.00 C ATOM 467 CD GLN A 29 13.472 4.005 3.464 1.00 0.00 C ATOM 468 OE1 GLN A 29 14.616 3.672 3.163 1.00 0.00 O ATOM 469 NE2 GLN A 29 13.207 5.149 4.075 1.00 0.00 N ATOM 0 H GLN A 29 10.945 3.758 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 29 13.486 3.813 0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.310 4.409 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.798 2.737 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.534 3.227 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.618 2.061 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.244 5.391 4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.966 5.788 4.312 1.00 0.00 H new ATOM 478 N TRP A 30 12.393 0.867 -0.149 1.00 0.00 N ATOM 479 CA TRP A 30 12.752 -0.541 -0.217 1.00 0.00 C ATOM 480 C TRP A 30 13.320 -0.907 -1.584 1.00 0.00 C ATOM 481 O TRP A 30 13.372 -2.074 -1.958 1.00 0.00 O ATOM 482 CB TRP A 30 11.549 -1.417 0.132 1.00 0.00 C ATOM 483 CG TRP A 30 11.004 -1.124 1.497 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.743 -0.701 1.809 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.718 -1.205 2.736 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.629 -0.520 3.167 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.830 -0.823 3.757 1.00 0.00 C ATOM 488 CE3 TRP A 30 13.024 -1.569 3.079 1.00 0.00 C ATOM 489 CZ2 TRP A 30 11.207 -0.793 5.098 1.00 0.00 C ATOM 490 CZ3 TRP A 30 13.397 -1.538 4.410 1.00 0.00 C ATOM 491 CH2 TRP A 30 12.490 -1.152 5.405 1.00 0.00 C ATOM 0 H TRP A 30 11.568 1.124 -0.691 1.00 0.00 H new ATOM 0 HA TRP A 30 13.535 -0.724 0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.765 -1.264 -0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.839 -2.466 0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.952 -0.533 1.094 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.789 -0.211 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 30 13.729 -1.869 2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.510 -0.497 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 14.403 -1.816 4.687 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.811 -1.138 6.436 1.00 0.00 H new ATOM 502 N HIS A 31 13.734 0.099 -2.337 1.00 0.00 N ATOM 503 CA HIS A 31 14.466 -0.135 -3.573 1.00 0.00 C ATOM 504 C HIS A 31 15.936 -0.349 -3.248 1.00 0.00 C ATOM 505 O HIS A 31 16.425 0.170 -2.252 1.00 0.00 O ATOM 506 CB HIS A 31 14.299 1.040 -4.545 1.00 0.00 C ATOM 507 CG HIS A 31 13.024 0.992 -5.325 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.539 2.058 -6.047 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.142 -0.017 -5.512 1.00 0.00 C ATOM 510 CE1 HIS A 31 11.413 1.707 -6.640 1.00 0.00 C ATOM 511 NE2 HIS A 31 11.150 0.451 -6.334 1.00 0.00 N ATOM 0 H HIS A 31 13.577 1.082 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 31 14.064 -1.024 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.338 1.974 -3.984 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.140 1.050 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.208 -1.009 -5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.808 2.342 -7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.343 -0.083 -6.656 1.00 0.00 H new ATOM 520 N PRO A 32 16.657 -1.111 -4.095 1.00 0.00 N ATOM 521 CA PRO A 32 18.071 -1.477 -3.872 1.00 0.00 C ATOM 522 C PRO A 32 18.970 -0.264 -3.655 1.00 0.00 C ATOM 523 O PRO A 32 20.030 -0.364 -3.038 1.00 0.00 O ATOM 524 CB PRO A 32 18.471 -2.212 -5.157 1.00 0.00 C ATOM 525 CG PRO A 32 17.415 -1.863 -6.146 1.00 0.00 C ATOM 526 CD PRO A 32 16.158 -1.681 -5.353 1.00 0.00 C ATOM 0 HA PRO A 32 18.185 -2.078 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.455 -1.896 -5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.521 -3.289 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.671 -0.952 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.298 -2.652 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.457 -1.012 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.639 -2.626 -5.193 1.00 0.00 H new ATOM 534 N ASP A 33 18.562 0.861 -4.216 1.00 0.00 N ATOM 535 CA ASP A 33 19.265 2.125 -4.028 1.00 0.00 C ATOM 536 C ASP A 33 19.260 2.554 -2.553 1.00 0.00 C ATOM 537 O ASP A 33 20.231 3.129 -2.061 1.00 0.00 O ATOM 538 CB ASP A 33 18.608 3.202 -4.895 1.00 0.00 C ATOM 539 CG ASP A 33 19.229 4.570 -4.708 1.00 0.00 C ATOM 540 OD1 ASP A 33 20.256 4.854 -5.354 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.680 5.373 -3.925 1.00 0.00 O ATOM 0 H ASP A 33 17.738 0.928 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 33 20.304 1.993 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.685 2.914 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.546 3.255 -4.656 1.00 0.00 H new ATOM 546 N LYS A 34 18.170 2.255 -1.850 1.00 0.00 N ATOM 547 CA LYS A 34 18.021 2.654 -0.453 1.00 0.00 C ATOM 548 C LYS A 34 18.161 1.457 0.492 1.00 0.00 C ATOM 549 O LYS A 34 18.639 1.591 1.621 1.00 0.00 O ATOM 550 CB LYS A 34 16.659 3.321 -0.247 1.00 0.00 C ATOM 551 CG LYS A 34 16.742 4.650 0.485 1.00 0.00 C ATOM 552 CD LYS A 34 17.472 5.695 -0.344 1.00 0.00 C ATOM 553 CE LYS A 34 16.621 6.191 -1.503 1.00 0.00 C ATOM 554 NZ LYS A 34 17.382 7.098 -2.402 1.00 0.00 N ATOM 0 H LYS A 34 17.376 1.737 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 34 18.817 3.361 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.189 3.478 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.013 2.645 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.737 5.003 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.258 4.512 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.746 6.537 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.399 5.271 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.253 5.339 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.748 6.715 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.738 7.507 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.811 7.862 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.130 6.561 -2.885 1.00 0.00 H new ATOM 568 N ASN A 35 17.744 0.294 0.024 1.00 0.00 N ATOM 569 CA ASN A 35 17.812 -0.936 0.803 1.00 0.00 C ATOM 570 C ASN A 35 18.973 -1.793 0.301 1.00 0.00 C ATOM 571 O ASN A 35 19.144 -1.947 -0.907 1.00 0.00 O ATOM 572 CB ASN A 35 16.479 -1.690 0.699 1.00 0.00 C ATOM 573 CG ASN A 35 16.536 -3.087 1.279 1.00 0.00 C ATOM 574 OD1 ASN A 35 16.332 -3.289 2.477 1.00 0.00 O ATOM 575 ND2 ASN A 35 16.808 -4.061 0.428 1.00 0.00 N ATOM 0 H ASN A 35 17.348 0.172 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 35 17.987 -0.701 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.706 -1.121 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.184 -1.751 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.856 -5.026 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.970 -3.848 -0.556 1.00 0.00 H new ATOM 582 N PRO A 36 19.783 -2.357 1.216 1.00 0.00 N ATOM 583 CA PRO A 36 21.054 -3.010 0.862 1.00 0.00 C ATOM 584 C PRO A 36 20.901 -4.349 0.123 1.00 0.00 C ATOM 585 O PRO A 36 20.314 -4.412 -0.957 1.00 0.00 O ATOM 586 CB PRO A 36 21.725 -3.213 2.223 1.00 0.00 C ATOM 587 CG PRO A 36 20.585 -3.359 3.164 1.00 0.00 C ATOM 588 CD PRO A 36 19.534 -2.404 2.670 1.00 0.00 C ATOM 0 HA PRO A 36 21.623 -2.402 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.362 -4.097 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.356 -2.365 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.212 -4.383 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.885 -3.120 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.528 -2.759 2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.635 -1.420 3.129 1.00 0.00 H new ATOM 596 N ASP A 37 21.412 -5.422 0.713 1.00 0.00 N ATOM 597 CA ASP A 37 21.571 -6.683 -0.012 1.00 0.00 C ATOM 598 C ASP A 37 20.381 -7.621 0.191 1.00 0.00 C ATOM 599 O ASP A 37 20.260 -8.644 -0.483 1.00 0.00 O ATOM 600 CB ASP A 37 22.869 -7.363 0.421 1.00 0.00 C ATOM 601 CG ASP A 37 23.206 -8.595 -0.398 1.00 0.00 C ATOM 602 OD1 ASP A 37 23.228 -8.500 -1.645 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.483 -9.656 0.202 1.00 0.00 O ATOM 0 H ASP A 37 21.722 -5.448 1.684 1.00 0.00 H new ATOM 0 HA ASP A 37 21.615 -6.453 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.688 -6.648 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.790 -7.644 1.471 1.00 0.00 H new ATOM 608 N ASN A 38 19.477 -7.257 1.084 1.00 0.00 N ATOM 609 CA ASN A 38 18.317 -8.099 1.343 1.00 0.00 C ATOM 610 C ASN A 38 17.158 -7.642 0.474 1.00 0.00 C ATOM 611 O ASN A 38 16.490 -6.656 0.775 1.00 0.00 O ATOM 612 CB ASN A 38 17.931 -8.047 2.822 1.00 0.00 C ATOM 613 CG ASN A 38 16.881 -9.080 3.203 1.00 0.00 C ATOM 614 OD1 ASN A 38 16.016 -9.453 2.405 1.00 0.00 O ATOM 615 ND2 ASN A 38 16.952 -9.554 4.436 1.00 0.00 N ATOM 0 H ASN A 38 19.519 -6.400 1.635 1.00 0.00 H new ATOM 0 HA ASN A 38 18.565 -9.132 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.822 -8.203 3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.555 -7.052 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.278 -10.251 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.680 -9.223 5.069 1.00 0.00 H new ATOM 622 N LYS A 39 16.921 -8.369 -0.602 1.00 0.00 N ATOM 623 CA LYS A 39 15.935 -7.975 -1.594 1.00 0.00 C ATOM 624 C LYS A 39 14.595 -8.638 -1.319 1.00 0.00 C ATOM 625 O LYS A 39 13.548 -8.097 -1.674 1.00 0.00 O ATOM 626 CB LYS A 39 16.419 -8.349 -3.000 1.00 0.00 C ATOM 627 CG LYS A 39 17.799 -7.809 -3.345 1.00 0.00 C ATOM 628 CD LYS A 39 17.822 -6.290 -3.371 1.00 0.00 C ATOM 629 CE LYS A 39 19.226 -5.753 -3.615 1.00 0.00 C ATOM 630 NZ LYS A 39 19.771 -6.170 -4.935 1.00 0.00 N ATOM 0 H LYS A 39 17.402 -9.243 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 39 15.807 -6.894 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.432 -9.435 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.701 -7.976 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.523 -8.171 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.107 -8.194 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.153 -5.929 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.444 -5.904 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.211 -4.665 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.889 -6.104 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.667 -5.673 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.939 -7.196 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.089 -5.933 -5.683 1.00 0.00 H new ATOM 644 N GLU A 40 14.634 -9.798 -0.671 1.00 0.00 N ATOM 645 CA GLU A 40 13.428 -10.587 -0.435 1.00 0.00 C ATOM 646 C GLU A 40 12.399 -9.798 0.365 1.00 0.00 C ATOM 647 O GLU A 40 11.220 -9.752 0.003 1.00 0.00 O ATOM 648 CB GLU A 40 13.783 -11.864 0.326 1.00 0.00 C ATOM 649 CG GLU A 40 12.609 -12.809 0.521 1.00 0.00 C ATOM 650 CD GLU A 40 12.921 -13.928 1.490 1.00 0.00 C ATOM 651 OE1 GLU A 40 13.442 -14.976 1.054 1.00 0.00 O ATOM 652 OE2 GLU A 40 12.655 -13.760 2.697 1.00 0.00 O ATOM 0 H GLU A 40 15.488 -10.214 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 40 12.997 -10.838 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.574 -12.388 -0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.186 -11.594 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.750 -12.246 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.326 -13.235 -0.442 1.00 0.00 H new ATOM 659 N PHE A 41 12.853 -9.156 1.431 1.00 0.00 N ATOM 660 CA PHE A 41 11.970 -8.352 2.262 1.00 0.00 C ATOM 661 C PHE A 41 11.583 -7.057 1.559 1.00 0.00 C ATOM 662 O PHE A 41 10.439 -6.616 1.645 1.00 0.00 O ATOM 663 CB PHE A 41 12.610 -8.048 3.618 1.00 0.00 C ATOM 664 CG PHE A 41 12.766 -9.257 4.494 1.00 0.00 C ATOM 665 CD1 PHE A 41 11.768 -10.217 4.552 1.00 0.00 C ATOM 666 CD2 PHE A 41 13.900 -9.429 5.266 1.00 0.00 C ATOM 667 CE1 PHE A 41 11.902 -11.325 5.360 1.00 0.00 C ATOM 668 CE2 PHE A 41 14.041 -10.538 6.077 1.00 0.00 C ATOM 669 CZ PHE A 41 13.040 -11.487 6.125 1.00 0.00 C ATOM 0 H PHE A 41 13.825 -9.176 1.740 1.00 0.00 H new ATOM 0 HA PHE A 41 11.065 -8.934 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.590 -7.599 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.003 -7.308 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.875 -10.095 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.685 -8.688 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.117 -12.066 5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.933 -10.662 6.673 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.147 -12.354 6.760 1.00 0.00 H new ATOM 679 N ALA A 42 12.538 -6.467 0.850 1.00 0.00 N ATOM 680 CA ALA A 42 12.313 -5.194 0.177 1.00 0.00 C ATOM 681 C ALA A 42 11.223 -5.318 -0.884 1.00 0.00 C ATOM 682 O ALA A 42 10.306 -4.497 -0.944 1.00 0.00 O ATOM 683 CB ALA A 42 13.608 -4.700 -0.446 1.00 0.00 C ATOM 0 H ALA A 42 13.475 -6.850 0.726 1.00 0.00 H new ATOM 0 HA ALA A 42 11.976 -4.469 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.431 -3.748 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.359 -4.566 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.965 -5.431 -1.172 1.00 0.00 H new ATOM 689 N GLU A 43 11.300 -6.367 -1.695 1.00 0.00 N ATOM 690 CA GLU A 43 10.295 -6.598 -2.719 1.00 0.00 C ATOM 691 C GLU A 43 8.975 -7.011 -2.082 1.00 0.00 C ATOM 692 O GLU A 43 7.907 -6.656 -2.572 1.00 0.00 O ATOM 693 CB GLU A 43 10.744 -7.637 -3.746 1.00 0.00 C ATOM 694 CG GLU A 43 10.960 -9.023 -3.177 1.00 0.00 C ATOM 695 CD GLU A 43 10.690 -10.097 -4.201 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.552 -10.336 -5.068 1.00 0.00 O ATOM 697 OE2 GLU A 43 9.592 -10.688 -4.158 1.00 0.00 O ATOM 0 H GLU A 43 12.043 -7.065 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 43 10.155 -5.659 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.997 -7.694 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.672 -7.298 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.985 -9.113 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.307 -9.169 -2.317 1.00 0.00 H new ATOM 704 N LYS A 44 9.053 -7.778 -0.998 1.00 0.00 N ATOM 705 CA LYS A 44 7.860 -8.190 -0.274 1.00 0.00 C ATOM 706 C LYS A 44 7.077 -6.980 0.214 1.00 0.00 C ATOM 707 O LYS A 44 5.862 -6.929 0.065 1.00 0.00 O ATOM 708 CB LYS A 44 8.216 -9.080 0.917 1.00 0.00 C ATOM 709 CG LYS A 44 8.086 -10.569 0.633 1.00 0.00 C ATOM 710 CD LYS A 44 6.666 -10.938 0.220 1.00 0.00 C ATOM 711 CE LYS A 44 5.643 -10.495 1.259 1.00 0.00 C ATOM 712 NZ LYS A 44 4.256 -10.871 0.876 1.00 0.00 N ATOM 0 H LYS A 44 9.928 -8.125 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 44 7.241 -8.761 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.240 -8.867 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.571 -8.822 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.781 -10.851 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.366 -11.136 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.434 -10.475 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.597 -12.017 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.887 -10.944 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.703 -9.414 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.665 -10.016 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.267 -11.337 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.864 -11.523 1.586 1.00 0.00 H new ATOM 726 N LYS A 45 7.778 -5.999 0.771 1.00 0.00 N ATOM 727 CA LYS A 45 7.133 -4.792 1.271 1.00 0.00 C ATOM 728 C LYS A 45 6.547 -3.997 0.116 1.00 0.00 C ATOM 729 O LYS A 45 5.485 -3.383 0.239 1.00 0.00 O ATOM 730 CB LYS A 45 8.120 -3.940 2.069 1.00 0.00 C ATOM 731 CG LYS A 45 8.651 -4.651 3.301 1.00 0.00 C ATOM 732 CD LYS A 45 7.525 -5.269 4.104 1.00 0.00 C ATOM 733 CE LYS A 45 8.036 -5.972 5.349 1.00 0.00 C ATOM 734 NZ LYS A 45 8.785 -5.055 6.246 1.00 0.00 N ATOM 0 H LYS A 45 8.791 -6.016 0.887 1.00 0.00 H new ATOM 0 HA LYS A 45 6.323 -5.082 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.956 -3.663 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.631 -3.014 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.356 -5.427 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.200 -3.945 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.815 -4.493 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.984 -5.981 3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.194 -6.401 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.682 -6.800 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.908 -5.503 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.718 -4.851 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.254 -4.168 6.357 1.00 0.00 H new ATOM 748 N PHE A 46 7.247 -4.028 -1.010 1.00 0.00 N ATOM 749 CA PHE A 46 6.755 -3.415 -2.235 1.00 0.00 C ATOM 750 C PHE A 46 5.485 -4.121 -2.708 1.00 0.00 C ATOM 751 O PHE A 46 4.539 -3.482 -3.164 1.00 0.00 O ATOM 752 CB PHE A 46 7.827 -3.460 -3.328 1.00 0.00 C ATOM 753 CG PHE A 46 7.369 -2.899 -4.644 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.267 -1.530 -4.828 1.00 0.00 C ATOM 755 CD2 PHE A 46 7.038 -3.740 -5.693 1.00 0.00 C ATOM 756 CE1 PHE A 46 6.842 -1.010 -6.035 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.612 -3.225 -6.902 1.00 0.00 C ATOM 758 CZ PHE A 46 6.515 -1.859 -7.073 1.00 0.00 C ATOM 0 H PHE A 46 8.160 -4.473 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 46 6.518 -2.371 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.702 -2.904 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.143 -4.493 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.523 -0.862 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.114 -4.810 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.766 0.059 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.355 -3.891 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.184 -1.455 -8.018 1.00 0.00 H new ATOM 768 N LYS A 47 5.470 -5.444 -2.594 1.00 0.00 N ATOM 769 CA LYS A 47 4.292 -6.226 -2.945 1.00 0.00 C ATOM 770 C LYS A 47 3.140 -5.941 -1.984 1.00 0.00 C ATOM 771 O LYS A 47 1.983 -5.885 -2.402 1.00 0.00 O ATOM 772 CB LYS A 47 4.611 -7.724 -2.948 1.00 0.00 C ATOM 773 CG LYS A 47 5.439 -8.179 -4.142 1.00 0.00 C ATOM 774 CD LYS A 47 5.664 -9.683 -4.112 1.00 0.00 C ATOM 775 CE LYS A 47 6.238 -10.204 -5.424 1.00 0.00 C ATOM 776 NZ LYS A 47 7.615 -9.704 -5.684 1.00 0.00 N ATOM 0 H LYS A 47 6.260 -5.997 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 47 3.988 -5.931 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.146 -7.973 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.676 -8.284 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.932 -7.903 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.400 -7.664 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.343 -9.931 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.720 -10.186 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.249 -11.294 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.586 -9.906 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.991 -10.153 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.591 -8.673 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.227 -9.936 -4.876 1.00 0.00 H new ATOM 790 N GLU A 48 3.463 -5.735 -0.709 1.00 0.00 N ATOM 791 CA GLU A 48 2.448 -5.462 0.307 1.00 0.00 C ATOM 792 C GLU A 48 1.726 -4.153 0.000 1.00 0.00 C ATOM 793 O GLU A 48 0.499 -4.071 0.079 1.00 0.00 O ATOM 794 CB GLU A 48 3.085 -5.365 1.698 1.00 0.00 C ATOM 795 CG GLU A 48 3.771 -6.637 2.177 1.00 0.00 C ATOM 796 CD GLU A 48 2.807 -7.769 2.458 1.00 0.00 C ATOM 797 OE1 GLU A 48 2.044 -7.672 3.442 1.00 0.00 O ATOM 798 OE2 GLU A 48 2.816 -8.765 1.710 1.00 0.00 O ATOM 0 H GLU A 48 4.419 -5.752 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 48 1.734 -6.285 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.815 -4.556 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.313 -5.093 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.489 -6.960 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.336 -6.417 3.083 1.00 0.00 H new ATOM 805 N VAL A 49 2.489 -3.128 -0.356 1.00 0.00 N ATOM 806 CA VAL A 49 1.897 -1.851 -0.713 1.00 0.00 C ATOM 807 C VAL A 49 1.218 -1.928 -2.073 1.00 0.00 C ATOM 808 O VAL A 49 0.165 -1.348 -2.259 1.00 0.00 O ATOM 809 CB VAL A 49 2.903 -0.673 -0.668 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.154 -0.976 -1.460 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.259 0.611 -1.168 1.00 0.00 C ATOM 0 H VAL A 49 3.507 -3.157 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 49 1.145 -1.642 0.048 1.00 0.00 H new ATOM 0 HB VAL A 49 3.192 -0.535 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.835 -0.126 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.641 -1.859 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.890 -1.161 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.985 1.423 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.926 0.474 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.403 0.858 -0.539 1.00 0.00 H new ATOM 821 N ALA A 50 1.800 -2.662 -3.014 1.00 0.00 N ATOM 822 CA ALA A 50 1.238 -2.743 -4.359 1.00 0.00 C ATOM 823 C ALA A 50 -0.210 -3.233 -4.332 1.00 0.00 C ATOM 824 O ALA A 50 -1.078 -2.657 -4.987 1.00 0.00 O ATOM 825 CB ALA A 50 2.085 -3.657 -5.230 1.00 0.00 C ATOM 0 H ALA A 50 2.652 -3.205 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 50 1.244 -1.739 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.654 -3.708 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.100 -3.263 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.109 -4.656 -4.794 1.00 0.00 H new ATOM 831 N GLU A 51 -0.472 -4.270 -3.549 1.00 0.00 N ATOM 832 CA GLU A 51 -1.820 -4.816 -3.434 1.00 0.00 C ATOM 833 C GLU A 51 -2.723 -3.893 -2.620 1.00 0.00 C ATOM 834 O GLU A 51 -3.876 -3.649 -2.983 1.00 0.00 O ATOM 835 CB GLU A 51 -1.775 -6.210 -2.806 1.00 0.00 C ATOM 836 CG GLU A 51 -1.132 -6.249 -1.430 1.00 0.00 C ATOM 837 CD GLU A 51 -0.979 -7.660 -0.910 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.214 -8.441 -1.518 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.633 -8.003 0.093 1.00 0.00 O ATOM 0 H GLU A 51 0.228 -4.750 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.240 -4.894 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.791 -6.596 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.228 -6.879 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.153 -5.772 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.737 -5.670 -0.732 1.00 0.00 H new ATOM 846 N ALA A 52 -2.186 -3.374 -1.525 1.00 0.00 N ATOM 847 CA ALA A 52 -2.950 -2.539 -0.612 1.00 0.00 C ATOM 848 C ALA A 52 -3.246 -1.169 -1.219 1.00 0.00 C ATOM 849 O ALA A 52 -4.307 -0.584 -0.996 1.00 0.00 O ATOM 850 CB ALA A 52 -2.193 -2.413 0.696 1.00 0.00 C ATOM 0 H ALA A 52 -1.215 -3.519 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.915 -3.010 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.760 -1.788 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.054 -3.402 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.220 -1.958 0.511 1.00 0.00 H new ATOM 856 N TYR A 53 -2.304 -0.667 -1.997 1.00 0.00 N ATOM 857 CA TYR A 53 -2.484 0.581 -2.716 1.00 0.00 C ATOM 858 C TYR A 53 -3.473 0.385 -3.856 1.00 0.00 C ATOM 859 O TYR A 53 -4.250 1.277 -4.158 1.00 0.00 O ATOM 860 CB TYR A 53 -1.131 1.106 -3.223 1.00 0.00 C ATOM 861 CG TYR A 53 -1.225 2.138 -4.328 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.548 3.458 -4.044 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.984 1.791 -5.652 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.630 4.404 -5.049 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.062 2.733 -6.662 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.387 4.037 -6.356 1.00 0.00 C ATOM 867 OH TYR A 53 -1.461 4.981 -7.357 1.00 0.00 O ATOM 0 H TYR A 53 -1.398 -1.110 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.895 1.331 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.588 1.541 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.541 0.263 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.738 3.751 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.732 0.770 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.883 5.427 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.869 2.448 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.261 4.560 -8.219 1.00 0.00 H new ATOM 877 N GLU A 54 -3.449 -0.797 -4.464 1.00 0.00 N ATOM 878 CA GLU A 54 -4.377 -1.130 -5.544 1.00 0.00 C ATOM 879 C GLU A 54 -5.829 -1.052 -5.067 1.00 0.00 C ATOM 880 O GLU A 54 -6.661 -0.399 -5.699 1.00 0.00 O ATOM 881 CB GLU A 54 -4.054 -2.529 -6.089 1.00 0.00 C ATOM 882 CG GLU A 54 -5.164 -3.173 -6.911 1.00 0.00 C ATOM 883 CD GLU A 54 -5.632 -2.322 -8.077 1.00 0.00 C ATOM 884 OE1 GLU A 54 -4.791 -1.677 -8.737 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.850 -2.311 -8.347 1.00 0.00 O ATOM 0 H GLU A 54 -2.796 -1.544 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.257 -0.401 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.157 -2.464 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.818 -3.183 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.813 -4.132 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.013 -3.380 -6.260 1.00 0.00 H new ATOM 892 N VAL A 55 -6.128 -1.694 -3.944 1.00 0.00 N ATOM 893 CA VAL A 55 -7.486 -1.681 -3.412 1.00 0.00 C ATOM 894 C VAL A 55 -7.890 -0.264 -2.990 1.00 0.00 C ATOM 895 O VAL A 55 -9.029 0.155 -3.197 1.00 0.00 O ATOM 896 CB VAL A 55 -7.664 -2.677 -2.232 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.711 -2.377 -1.089 1.00 0.00 C ATOM 898 CG2 VAL A 55 -9.102 -2.672 -1.735 1.00 0.00 C ATOM 0 H VAL A 55 -5.457 -2.225 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.148 -2.010 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.424 -3.671 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.869 -3.096 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.683 -2.449 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.896 -1.370 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.204 -3.376 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.365 -1.671 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.768 -2.965 -2.546 1.00 0.00 H new ATOM 908 N LEU A 56 -6.947 0.473 -2.413 1.00 0.00 N ATOM 909 CA LEU A 56 -7.193 1.846 -1.979 1.00 0.00 C ATOM 910 C LEU A 56 -7.269 2.797 -3.182 1.00 0.00 C ATOM 911 O LEU A 56 -7.827 3.891 -3.091 1.00 0.00 O ATOM 912 CB LEU A 56 -6.092 2.275 -0.999 1.00 0.00 C ATOM 913 CG LEU A 56 -6.483 3.330 0.045 1.00 0.00 C ATOM 914 CD1 LEU A 56 -6.522 4.727 -0.554 1.00 0.00 C ATOM 915 CD2 LEU A 56 -7.823 2.986 0.677 1.00 0.00 C ATOM 0 H LEU A 56 -5.999 0.141 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.156 1.893 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.738 1.388 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.251 2.660 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.716 3.324 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.803 5.445 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.538 4.982 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.254 4.756 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.083 3.745 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.591 2.952 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.756 2.014 1.165 1.00 0.00 H new ATOM 927 N SER A 57 -6.745 2.352 -4.313 1.00 0.00 N ATOM 928 CA SER A 57 -6.642 3.185 -5.505 1.00 0.00 C ATOM 929 C SER A 57 -7.986 3.283 -6.222 1.00 0.00 C ATOM 930 O SER A 57 -8.242 4.235 -6.966 1.00 0.00 O ATOM 931 CB SER A 57 -5.575 2.596 -6.440 1.00 0.00 C ATOM 932 OG SER A 57 -5.423 3.344 -7.634 1.00 0.00 O ATOM 0 H SER A 57 -6.380 1.407 -4.433 1.00 0.00 H new ATOM 0 HA SER A 57 -6.352 4.193 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.620 2.557 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.843 1.570 -6.690 1.00 0.00 H new ATOM 0 HG SER A 57 -4.733 2.930 -8.194 1.00 0.00 H new ATOM 938 N ASP A 58 -8.848 2.309 -5.988 1.00 0.00 N ATOM 939 CA ASP A 58 -10.163 2.296 -6.615 1.00 0.00 C ATOM 940 C ASP A 58 -11.241 2.512 -5.564 1.00 0.00 C ATOM 941 O ASP A 58 -11.317 1.781 -4.577 1.00 0.00 O ATOM 942 CB ASP A 58 -10.392 0.979 -7.358 1.00 0.00 C ATOM 943 CG ASP A 58 -11.705 0.967 -8.116 1.00 0.00 C ATOM 944 OD1 ASP A 58 -11.736 1.427 -9.275 1.00 0.00 O ATOM 945 OD2 ASP A 58 -12.715 0.502 -7.559 1.00 0.00 O ATOM 0 H ASP A 58 -8.664 1.518 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.213 3.107 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.571 0.810 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.379 0.155 -6.645 1.00 0.00 H new ATOM 950 N LYS A 59 -12.073 3.526 -5.783 1.00 0.00 N ATOM 951 CA LYS A 59 -13.056 3.944 -4.786 1.00 0.00 C ATOM 952 C LYS A 59 -14.105 2.866 -4.571 1.00 0.00 C ATOM 953 O LYS A 59 -14.588 2.657 -3.459 1.00 0.00 O ATOM 954 CB LYS A 59 -13.720 5.260 -5.214 1.00 0.00 C ATOM 955 CG LYS A 59 -14.963 5.127 -6.093 1.00 0.00 C ATOM 956 CD LYS A 59 -14.607 4.774 -7.530 1.00 0.00 C ATOM 957 CE LYS A 59 -15.842 4.710 -8.414 1.00 0.00 C ATOM 958 NZ LYS A 59 -15.497 4.385 -9.823 1.00 0.00 N ATOM 0 H LYS A 59 -12.087 4.075 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.537 4.103 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.991 5.816 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.983 5.859 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.618 4.359 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.521 6.063 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.914 5.516 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.093 3.813 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.528 3.958 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.364 5.666 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.366 4.350 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.862 5.116 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.022 3.461 -9.860 1.00 0.00 H new ATOM 972 N HIS A 60 -14.445 2.189 -5.650 1.00 0.00 N ATOM 973 CA HIS A 60 -15.398 1.090 -5.594 1.00 0.00 C ATOM 974 C HIS A 60 -14.778 -0.106 -4.881 1.00 0.00 C ATOM 975 O HIS A 60 -15.424 -0.765 -4.078 1.00 0.00 O ATOM 976 CB HIS A 60 -15.865 0.702 -7.000 1.00 0.00 C ATOM 977 CG HIS A 60 -17.013 -0.261 -7.011 1.00 0.00 C ATOM 978 ND1 HIS A 60 -18.168 -0.055 -6.290 1.00 0.00 N ATOM 979 CD2 HIS A 60 -17.186 -1.432 -7.667 1.00 0.00 C ATOM 980 CE1 HIS A 60 -19.001 -1.054 -6.501 1.00 0.00 C ATOM 981 NE2 HIS A 60 -18.431 -1.903 -7.332 1.00 0.00 N ATOM 0 H HIS A 60 -14.076 2.379 -6.582 1.00 0.00 H new ATOM 0 HA HIS A 60 -16.271 1.417 -5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -16.154 1.604 -7.539 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.028 0.262 -7.542 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -18.350 0.747 -5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -16.478 -1.907 -8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -19.984 -1.159 -6.067 1.00 0.00 H new ATOM 990 N LYS A 61 -13.516 -0.370 -5.181 1.00 0.00 N ATOM 991 CA LYS A 61 -12.787 -1.460 -4.549 1.00 0.00 C ATOM 992 C LYS A 61 -12.685 -1.233 -3.041 1.00 0.00 C ATOM 993 O LYS A 61 -12.753 -2.179 -2.255 1.00 0.00 O ATOM 994 CB LYS A 61 -11.387 -1.573 -5.152 1.00 0.00 C ATOM 995 CG LYS A 61 -10.663 -2.859 -4.792 1.00 0.00 C ATOM 996 CD LYS A 61 -11.274 -4.061 -5.490 1.00 0.00 C ATOM 997 CE LYS A 61 -11.177 -3.921 -6.996 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.765 -3.837 -7.451 1.00 0.00 N ATOM 0 H LYS A 61 -12.972 0.159 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.330 -2.388 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.463 -1.502 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.789 -0.725 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.612 -2.774 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.699 -3.007 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.763 -4.970 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.319 -4.164 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.663 -4.773 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.715 -3.028 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.723 -3.980 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.380 -2.900 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.203 -4.572 -6.976 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.529 0.029 -2.650 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.429 0.398 -1.241 1.00 0.00 C ATOM 1014 C ARG A 62 -13.668 -0.033 -0.460 1.00 0.00 C ATOM 1015 O ARG A 62 -13.560 -0.617 0.620 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.240 1.909 -1.099 1.00 0.00 C ATOM 1017 CG ARG A 62 -10.852 2.405 -1.468 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.767 3.924 -1.394 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.253 4.443 -0.113 1.00 0.00 N ATOM 1020 CZ ARG A 62 -10.815 5.568 0.458 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -9.830 6.267 -0.103 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -11.361 5.986 1.595 1.00 0.00 N ATOM 0 H ARG A 62 -12.469 0.818 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.563 -0.120 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.973 2.415 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.453 2.194 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.116 1.965 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.601 2.074 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.733 4.236 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.351 4.359 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.973 3.910 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.407 5.944 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.499 7.126 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.112 5.448 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.029 6.845 2.035 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.845 0.245 -1.011 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.090 -0.084 -0.330 1.00 0.00 C ATOM 1038 C GLU A 63 -16.317 -1.594 -0.339 1.00 0.00 C ATOM 1039 O GLU A 63 -16.840 -2.156 0.622 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.275 0.658 -0.962 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.628 0.197 -2.362 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.704 1.040 -3.007 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.754 1.264 -2.373 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.515 1.471 -4.164 1.00 0.00 O ATOM 0 H GLU A 63 -14.962 0.694 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.012 0.243 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.148 0.535 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.047 1.724 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.733 0.222 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.961 -0.840 -2.324 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.885 -2.248 -1.418 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.992 -3.698 -1.527 1.00 0.00 C ATOM 1053 C ILE A 64 -15.124 -4.359 -0.462 1.00 0.00 C ATOM 1054 O ILE A 64 -15.557 -5.273 0.231 1.00 0.00 O ATOM 1055 CB ILE A 64 -15.553 -4.204 -2.924 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -16.419 -3.586 -4.029 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -15.612 -5.724 -2.990 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -17.889 -3.917 -3.918 1.00 0.00 C ATOM 0 H ILE A 64 -15.459 -1.795 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 64 -17.039 -3.963 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.521 -3.891 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.299 -2.503 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.053 -3.928 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -15.300 -6.058 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.946 -6.147 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -16.632 -6.057 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.432 -3.443 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.024 -4.997 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.274 -3.550 -2.966 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.911 -3.851 -0.315 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.973 -4.345 0.683 1.00 0.00 C ATOM 1072 C TYR A 65 -13.559 -4.224 2.087 1.00 0.00 C ATOM 1073 O TYR A 65 -13.443 -5.138 2.906 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.663 -3.556 0.577 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.666 -3.826 1.683 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -10.022 -5.051 1.788 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.368 -2.845 2.622 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.110 -5.293 2.800 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.458 -3.079 3.633 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.832 -4.302 3.718 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.930 -4.536 4.728 1.00 0.00 O ATOM 0 H TYR A 65 -13.548 -3.085 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.777 -5.401 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.194 -3.786 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.896 -2.491 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.236 -5.827 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.857 -1.884 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.619 -6.252 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.238 -2.306 4.354 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.849 -3.735 5.286 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.209 -3.100 2.349 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.725 -2.817 3.680 1.00 0.00 C ATOM 1093 C ASP A 66 -15.947 -3.674 4.009 1.00 0.00 C ATOM 1094 O ASP A 66 -16.025 -4.261 5.089 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.079 -1.335 3.796 1.00 0.00 C ATOM 1096 CG ASP A 66 -15.387 -0.919 5.221 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -14.436 -0.759 6.018 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -16.575 -0.735 5.550 1.00 0.00 O ATOM 0 H ASP A 66 -14.391 -2.371 1.660 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.944 -3.065 4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.250 -0.737 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.941 -1.121 3.164 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.890 -3.772 3.074 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.145 -4.468 3.346 1.00 0.00 C ATOM 1105 C ARG A 67 -18.052 -5.977 3.079 1.00 0.00 C ATOM 1106 O ARG A 67 -18.752 -6.766 3.715 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.268 -3.853 2.515 1.00 0.00 C ATOM 1108 CG ARG A 67 -19.226 -4.239 1.049 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.876 -3.179 0.187 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.171 -3.674 -1.156 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.001 -3.071 -2.010 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.555 -1.908 -1.696 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -21.270 -3.629 -3.184 1.00 0.00 N ATOM 0 H ARG A 67 -16.811 -3.384 2.134 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.361 -4.347 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.227 -4.158 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.215 -2.767 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.191 -4.382 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.736 -5.192 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.798 -2.842 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.218 -2.313 0.118 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.714 -4.534 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.348 -1.470 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.189 -1.451 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.842 -4.520 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.905 -3.167 -3.835 1.00 0.00 H new ATOM 1127 N TYR A 68 -17.199 -6.384 2.145 1.00 0.00 N ATOM 1128 CA TYR A 68 -17.101 -7.796 1.784 1.00 0.00 C ATOM 1129 C TYR A 68 -15.979 -8.465 2.573 1.00 0.00 C ATOM 1130 O TYR A 68 -15.810 -9.682 2.530 1.00 0.00 O ATOM 1131 CB TYR A 68 -16.877 -7.948 0.273 1.00 0.00 C ATOM 1132 CG TYR A 68 -17.083 -9.356 -0.245 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -18.353 -9.918 -0.300 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -16.010 -10.121 -0.684 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -18.548 -11.201 -0.774 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -16.198 -11.406 -1.160 1.00 0.00 C ATOM 1137 CZ TYR A 68 -17.466 -11.941 -1.204 1.00 0.00 C ATOM 1138 OH TYR A 68 -17.654 -13.219 -1.679 1.00 0.00 O ATOM 0 H TYR A 68 -16.572 -5.766 1.629 1.00 0.00 H new ATOM 0 HA TYR A 68 -18.039 -8.290 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.555 -7.276 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.863 -7.629 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -19.203 -9.341 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -15.013 -9.706 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -19.542 -11.622 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.353 -11.988 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.790 -13.601 -1.942 1.00 0.00 H new ATOM 1148 N GLY A 69 -15.221 -7.654 3.300 1.00 0.00 N ATOM 1149 CA GLY A 69 -14.190 -8.172 4.179 1.00 0.00 C ATOM 1150 C GLY A 69 -14.780 -9.002 5.292 1.00 0.00 C ATOM 1151 O GLY A 69 -14.214 -10.008 5.719 1.00 0.00 O ATOM 0 H GLY A 69 -15.303 -6.637 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.490 -8.778 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.622 -7.344 4.603 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.920 -8.537 5.758 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.687 -9.209 6.804 1.00 0.00 C ATOM 1157 C ARG A 70 -17.119 -10.616 6.375 1.00 0.00 C ATOM 1158 O ARG A 70 -17.341 -11.486 7.213 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.918 -8.373 7.163 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.584 -6.957 7.600 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.764 -6.948 8.881 1.00 0.00 C ATOM 1162 NE ARG A 70 -17.547 -7.380 10.038 1.00 0.00 N ATOM 1163 CZ ARG A 70 -17.015 -7.803 11.184 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.703 -7.931 11.307 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -17.798 -8.116 12.211 1.00 0.00 N ATOM 0 H ARG A 70 -16.350 -7.675 5.423 1.00 0.00 H new ATOM 0 HA ARG A 70 -16.043 -9.310 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -18.583 -8.331 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.465 -8.872 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -17.030 -6.452 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.506 -6.395 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.901 -7.603 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.380 -5.943 9.058 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.564 -7.356 9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.093 -7.705 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.303 -8.255 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.811 -8.033 12.124 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.386 -8.439 13.086 1.00 0.00 H new ATOM 1179 N GLU A 71 -17.251 -10.824 5.074 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.645 -12.122 4.540 1.00 0.00 C ATOM 1181 C GLU A 71 -16.474 -13.101 4.578 1.00 0.00 C ATOM 1182 O GLU A 71 -15.647 -13.073 3.649 1.00 0.00 O ATOM 1183 CB GLU A 71 -18.155 -11.965 3.106 1.00 0.00 C ATOM 1184 CG GLU A 71 -19.451 -11.177 3.003 1.00 0.00 C ATOM 1185 CD GLU A 71 -20.654 -11.961 3.490 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -20.822 -12.108 4.717 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -21.435 -12.437 2.640 1.00 0.00 O ATOM 0 H GLU A 71 -17.091 -10.109 4.365 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.446 -12.522 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.390 -11.469 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.305 -12.954 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.361 -10.260 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.610 -10.882 1.966 1.00 0.00 H new