USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 8 ASN : amide:sc= -0.98 K(o=-0.98,f=-5.2!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.414) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -36:sc= 0.186! USER MOD Single : A 19 GLN : amide:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -3.98! (180deg=-5.84!) USER MOD Single : A 25 TYR OH : rot 150:sc= -1.44! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -2.07! (180deg=-2.47!) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.419 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.085) USER MOD Single : A 40 TYR OH : rot 75:sc= 1.77 USER MOD Single : A 41 SER OG : rot -118:sc= 0.0164 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -150:sc= -0.466 USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 0.132 (180deg=0.0319) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.490 -4.178 10.845 1.00 0.00 N ATOM 63 CA ARG A 6 13.557 -3.100 11.881 1.00 0.00 C ATOM 64 C ARG A 6 12.735 -1.894 11.402 1.00 0.00 C ATOM 65 O ARG A 6 12.659 -1.610 10.224 1.00 0.00 O ATOM 66 CB ARG A 6 15.043 -2.706 12.092 1.00 0.00 C ATOM 67 CG ARG A 6 15.522 -3.089 13.507 1.00 0.00 C ATOM 68 CD ARG A 6 15.066 -2.025 14.512 1.00 0.00 C ATOM 69 NE ARG A 6 15.974 -0.829 14.435 1.00 0.00 N ATOM 70 CZ ARG A 6 17.254 -0.917 14.685 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.763 -2.020 15.163 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.021 0.122 14.498 1.00 0.00 N ATOM 0 HA ARG A 6 13.145 -3.448 12.828 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.664 -3.204 11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 6 15.163 -1.633 11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.120 -4.063 13.786 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.608 -3.176 13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.039 -1.728 14.300 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.077 -2.437 15.521 1.00 0.00 H new ATOM 0 HE ARG A 6 15.580 0.077 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.161 -2.823 15.345 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.763 -2.079 15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.621 0.997 14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.021 0.059 14.691 1.00 0.00 H new ATOM 86 N ASP A 7 12.120 -1.189 12.314 1.00 0.00 N ATOM 87 CA ASP A 7 11.301 -0.005 11.921 1.00 0.00 C ATOM 88 C ASP A 7 12.208 1.212 11.740 1.00 0.00 C ATOM 89 O ASP A 7 13.383 1.087 11.455 1.00 0.00 O ATOM 90 CB ASP A 7 10.269 0.286 13.013 1.00 0.00 C ATOM 91 CG ASP A 7 10.987 0.609 14.323 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.937 -0.087 14.643 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.576 1.548 14.986 1.00 0.00 O ATOM 0 H ASP A 7 12.149 -1.382 13.315 1.00 0.00 H new ATOM 0 HA ASP A 7 10.789 -0.216 10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.637 1.123 12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.614 -0.575 13.148 1.00 0.00 H new ATOM 98 N ASN A 8 11.670 2.393 11.898 1.00 0.00 N ATOM 99 CA ASN A 8 12.497 3.625 11.729 1.00 0.00 C ATOM 100 C ASN A 8 13.125 4.017 13.069 1.00 0.00 C ATOM 101 O ASN A 8 14.014 4.845 13.125 1.00 0.00 O ATOM 102 CB ASN A 8 11.608 4.768 11.235 1.00 0.00 C ATOM 103 CG ASN A 8 10.921 4.358 9.931 1.00 0.00 C ATOM 104 OD1 ASN A 8 11.021 3.224 9.509 1.00 0.00 O ATOM 105 ND2 ASN A 8 10.225 5.241 9.270 1.00 0.00 N ATOM 0 H ASN A 8 10.692 2.558 12.137 1.00 0.00 H new ATOM 0 HA ASN A 8 13.287 3.431 11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.861 5.013 11.990 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.207 5.665 11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.765 4.979 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.141 6.194 9.625 1.00 0.00 H new ATOM 112 N ARG A 9 12.669 3.432 14.150 1.00 0.00 N ATOM 113 CA ARG A 9 13.235 3.772 15.496 1.00 0.00 C ATOM 114 C ARG A 9 14.170 2.651 15.960 1.00 0.00 C ATOM 115 O ARG A 9 15.317 2.589 15.565 1.00 0.00 O ATOM 116 CB ARG A 9 12.087 3.933 16.502 1.00 0.00 C ATOM 117 CG ARG A 9 11.120 5.033 16.039 1.00 0.00 C ATOM 118 CD ARG A 9 11.654 6.408 16.442 1.00 0.00 C ATOM 119 NE ARG A 9 11.856 6.458 17.918 1.00 0.00 N ATOM 120 CZ ARG A 9 12.585 7.405 18.444 1.00 0.00 C ATOM 121 NH1 ARG A 9 13.136 8.306 17.679 1.00 0.00 N ATOM 122 NH2 ARG A 9 12.764 7.447 19.737 1.00 0.00 N ATOM 0 H ARG A 9 11.927 2.732 14.159 1.00 0.00 H new ATOM 0 HA ARG A 9 13.797 4.704 15.430 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.551 2.989 16.606 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.488 4.182 17.484 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.995 4.986 14.957 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.137 4.873 16.481 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.595 6.607 15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.954 7.185 16.135 1.00 0.00 H new ATOM 0 HE ARG A 9 11.425 5.753 18.516 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.998 8.271 16.669 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.705 9.045 18.091 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.335 6.741 20.335 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.333 8.186 20.149 1.00 0.00 H new ATOM 136 N GLY A 10 13.697 1.765 16.798 1.00 0.00 N ATOM 137 CA GLY A 10 14.569 0.656 17.285 1.00 0.00 C ATOM 138 C GLY A 10 13.705 -0.551 17.651 1.00 0.00 C ATOM 139 O GLY A 10 14.165 -1.494 18.262 1.00 0.00 O ATOM 0 H GLY A 10 12.746 1.762 17.165 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.289 0.381 16.514 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.141 0.984 18.153 1.00 0.00 H new ATOM 143 N ARG A 11 12.455 -0.531 17.277 1.00 0.00 N ATOM 144 CA ARG A 11 11.562 -1.679 17.597 1.00 0.00 C ATOM 145 C ARG A 11 11.773 -2.775 16.551 1.00 0.00 C ATOM 146 O ARG A 11 12.747 -2.766 15.831 1.00 0.00 O ATOM 147 CB ARG A 11 10.105 -1.203 17.578 1.00 0.00 C ATOM 148 CG ARG A 11 9.785 -0.496 18.901 1.00 0.00 C ATOM 149 CD ARG A 11 8.469 0.276 18.784 1.00 0.00 C ATOM 150 NE ARG A 11 8.540 1.197 17.613 1.00 0.00 N ATOM 151 CZ ARG A 11 7.471 1.830 17.213 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.346 1.676 17.855 1.00 0.00 N ATOM 153 NH2 ARG A 11 7.530 2.621 16.176 1.00 0.00 N ATOM 0 H ARG A 11 12.014 0.232 16.763 1.00 0.00 H new ATOM 0 HA ARG A 11 11.793 -2.075 18.586 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.943 -0.524 16.741 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.435 -2.051 17.434 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.715 -1.228 19.705 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.594 0.187 19.161 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.637 -0.418 18.666 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.284 0.843 19.696 1.00 0.00 H new ATOM 0 HE ARG A 11 9.425 1.332 17.124 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.303 1.062 18.668 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.510 2.170 17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.412 2.744 15.678 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.694 3.116 15.864 1.00 0.00 H new ATOM 167 N ILE A 12 10.878 -3.725 16.466 1.00 0.00 N ATOM 168 CA ILE A 12 11.036 -4.835 15.464 1.00 0.00 C ATOM 169 C ILE A 12 9.700 -5.063 14.750 1.00 0.00 C ATOM 170 O ILE A 12 8.680 -5.268 15.377 1.00 0.00 O ATOM 171 CB ILE A 12 11.432 -6.133 16.187 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.789 -5.962 16.913 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.511 -7.284 15.175 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.970 -6.176 15.954 1.00 0.00 C ATOM 0 H ILE A 12 10.041 -3.785 17.046 1.00 0.00 H new ATOM 0 HA ILE A 12 11.808 -4.562 14.745 1.00 0.00 H new ATOM 0 HB ILE A 12 10.673 -6.365 16.935 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.848 -4.964 17.347 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.854 -6.673 17.737 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.792 -8.203 15.690 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.540 -7.417 14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.258 -7.051 14.416 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.907 -6.049 16.496 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.925 -7.183 15.540 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.918 -5.448 15.144 1.00 0.00 H new ATOM 186 N LEU A 13 9.695 -5.040 13.443 1.00 0.00 N ATOM 187 CA LEU A 13 8.421 -5.270 12.693 1.00 0.00 C ATOM 188 C LEU A 13 8.256 -6.769 12.430 1.00 0.00 C ATOM 189 O LEU A 13 9.176 -7.436 12.000 1.00 0.00 O ATOM 190 CB LEU A 13 8.472 -4.527 11.351 1.00 0.00 C ATOM 191 CG LEU A 13 8.414 -3.003 11.579 1.00 0.00 C ATOM 192 CD1 LEU A 13 9.039 -2.280 10.380 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.955 -2.544 11.734 1.00 0.00 C ATOM 0 H LEU A 13 10.516 -4.872 12.861 1.00 0.00 H new ATOM 0 HA LEU A 13 7.581 -4.901 13.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.387 -4.787 10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.638 -4.839 10.723 1.00 0.00 H new ATOM 0 HG LEU A 13 8.966 -2.764 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.997 -1.203 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.078 -2.590 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.487 -2.532 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.928 -1.466 11.894 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.398 -2.791 10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.503 -3.049 12.588 1.00 0.00 H new ATOM 205 N LYS A 14 7.091 -7.308 12.685 1.00 0.00 N ATOM 206 CA LYS A 14 6.873 -8.768 12.448 1.00 0.00 C ATOM 207 C LYS A 14 6.364 -8.983 11.019 1.00 0.00 C ATOM 208 O LYS A 14 5.828 -8.086 10.401 1.00 0.00 O ATOM 209 CB LYS A 14 5.837 -9.294 13.450 1.00 0.00 C ATOM 210 CG LYS A 14 6.438 -9.304 14.870 1.00 0.00 C ATOM 211 CD LYS A 14 7.211 -10.618 15.116 1.00 0.00 C ATOM 212 CE LYS A 14 8.313 -10.392 16.156 1.00 0.00 C ATOM 213 NZ LYS A 14 7.740 -9.706 17.349 1.00 0.00 N ATOM 0 H LYS A 14 6.283 -6.802 13.046 1.00 0.00 H new ATOM 0 HA LYS A 14 7.812 -9.306 12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.946 -8.667 13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.526 -10.301 13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.106 -8.452 14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.644 -9.198 15.609 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.527 -11.393 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.648 -10.973 14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.753 -11.346 16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.114 -9.790 15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.375 -9.836 18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.637 -8.691 17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.808 -10.112 17.569 1.00 0.00 H new ATOM 227 N THR A 15 6.532 -10.166 10.485 1.00 0.00 N ATOM 228 CA THR A 15 6.062 -10.430 9.093 1.00 0.00 C ATOM 229 C THR A 15 4.629 -9.926 8.932 1.00 0.00 C ATOM 230 O THR A 15 3.703 -10.463 9.505 1.00 0.00 O ATOM 231 CB THR A 15 6.104 -11.934 8.806 1.00 0.00 C ATOM 232 OG1 THR A 15 7.454 -12.377 8.812 1.00 0.00 O ATOM 233 CG2 THR A 15 5.478 -12.217 7.434 1.00 0.00 C ATOM 0 H THR A 15 6.973 -10.958 10.952 1.00 0.00 H new ATOM 0 HA THR A 15 6.715 -9.910 8.392 1.00 0.00 H new ATOM 0 HB THR A 15 5.541 -12.465 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.483 -13.340 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.510 -13.288 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.442 -11.878 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.037 -11.687 6.663 1.00 0.00 H new ATOM 241 N GLY A 16 4.443 -8.898 8.148 1.00 0.00 N ATOM 242 CA GLY A 16 3.073 -8.345 7.933 1.00 0.00 C ATOM 243 C GLY A 16 3.139 -6.818 7.931 1.00 0.00 C ATOM 244 O GLY A 16 2.642 -6.167 7.034 1.00 0.00 O ATOM 0 H GLY A 16 5.186 -8.414 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.668 -8.704 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.401 -8.690 8.719 1.00 0.00 H new ATOM 248 N GLU A 17 3.745 -6.240 8.935 1.00 0.00 N ATOM 249 CA GLU A 17 3.840 -4.751 9.001 1.00 0.00 C ATOM 250 C GLU A 17 5.105 -4.283 8.285 1.00 0.00 C ATOM 251 O GLU A 17 6.047 -5.031 8.112 1.00 0.00 O ATOM 252 CB GLU A 17 3.896 -4.312 10.465 1.00 0.00 C ATOM 253 CG GLU A 17 2.571 -4.646 11.149 1.00 0.00 C ATOM 254 CD GLU A 17 2.677 -4.346 12.645 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.612 -4.832 13.261 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.821 -3.638 13.149 1.00 0.00 O ATOM 0 H GLU A 17 4.179 -6.736 9.714 1.00 0.00 H new ATOM 0 HA GLU A 17 2.967 -4.312 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.718 -4.815 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.090 -3.241 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.764 -4.062 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.325 -5.697 10.995 1.00 0.00 H new ATOM 263 N SER A 18 5.134 -3.048 7.866 1.00 0.00 N ATOM 264 CA SER A 18 6.337 -2.530 7.160 1.00 0.00 C ATOM 265 C SER A 18 6.342 -1.000 7.206 1.00 0.00 C ATOM 266 O SER A 18 5.862 -0.394 8.143 1.00 0.00 O ATOM 267 CB SER A 18 6.310 -3.000 5.705 1.00 0.00 C ATOM 268 OG SER A 18 5.899 -4.360 5.659 1.00 0.00 O ATOM 0 H SER A 18 4.376 -2.376 7.983 1.00 0.00 H new ATOM 0 HA SER A 18 7.236 -2.906 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.626 -2.382 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.298 -2.891 5.257 1.00 0.00 H new ATOM 0 HG SER A 18 6.263 -4.838 6.433 1.00 0.00 H new ATOM 274 N GLN A 19 6.887 -0.372 6.199 1.00 0.00 N ATOM 275 CA GLN A 19 6.934 1.119 6.174 1.00 0.00 C ATOM 276 C GLN A 19 7.001 1.588 4.718 1.00 0.00 C ATOM 277 O GLN A 19 7.831 1.143 3.950 1.00 0.00 O ATOM 278 CB GLN A 19 8.171 1.585 6.956 1.00 0.00 C ATOM 279 CG GLN A 19 8.463 3.068 6.688 1.00 0.00 C ATOM 280 CD GLN A 19 7.208 3.891 6.964 1.00 0.00 C ATOM 281 OE1 GLN A 19 6.752 4.628 6.112 1.00 0.00 O ATOM 282 NE2 GLN A 19 6.628 3.797 8.130 1.00 0.00 N ATOM 0 H GLN A 19 7.304 -0.830 5.388 1.00 0.00 H new ATOM 0 HA GLN A 19 6.043 1.543 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.012 1.429 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.034 0.983 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.281 3.409 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.782 3.206 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.013 3.177 8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.790 4.343 8.328 1.00 0.00 H new ATOM 291 N ARG A 20 6.124 2.476 4.328 1.00 0.00 N ATOM 292 CA ARG A 20 6.126 2.964 2.917 1.00 0.00 C ATOM 293 C ARG A 20 7.172 4.078 2.758 1.00 0.00 C ATOM 294 O ARG A 20 8.146 4.138 3.480 1.00 0.00 O ATOM 295 CB ARG A 20 4.719 3.490 2.559 1.00 0.00 C ATOM 296 CG ARG A 20 4.413 3.236 1.068 1.00 0.00 C ATOM 297 CD ARG A 20 3.050 3.855 0.670 1.00 0.00 C ATOM 298 NE ARG A 20 3.200 4.690 -0.570 1.00 0.00 N ATOM 299 CZ ARG A 20 4.060 5.670 -0.635 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.753 6.004 0.418 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.207 6.334 -1.748 1.00 0.00 N ATOM 0 H ARG A 20 5.406 2.885 4.926 1.00 0.00 H new ATOM 0 HA ARG A 20 6.382 2.147 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.971 2.997 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.657 4.557 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.205 3.663 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.401 2.164 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.320 3.064 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.669 4.469 1.486 1.00 0.00 H new ATOM 0 HE ARG A 20 2.616 4.486 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.624 5.499 1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.424 6.770 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.650 6.087 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.879 7.100 -1.800 1.00 0.00 H new ATOM 315 N LYS A 21 6.978 4.951 1.806 1.00 0.00 N ATOM 316 CA LYS A 21 7.954 6.058 1.574 1.00 0.00 C ATOM 317 C LYS A 21 7.483 7.322 2.300 1.00 0.00 C ATOM 318 O LYS A 21 8.249 8.233 2.539 1.00 0.00 O ATOM 319 CB LYS A 21 8.035 6.347 0.070 1.00 0.00 C ATOM 320 CG LYS A 21 8.392 5.054 -0.715 1.00 0.00 C ATOM 321 CD LYS A 21 7.672 5.020 -2.075 1.00 0.00 C ATOM 322 CE LYS A 21 8.313 6.027 -3.031 1.00 0.00 C ATOM 323 NZ LYS A 21 8.283 7.388 -2.426 1.00 0.00 N ATOM 0 H LYS A 21 6.178 4.945 1.173 1.00 0.00 H new ATOM 0 HA LYS A 21 8.933 5.764 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.082 6.742 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.787 7.113 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.470 5.003 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.112 4.179 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.726 4.018 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.616 5.253 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.342 5.736 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.780 6.030 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.241 8.102 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.446 7.478 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.142 7.535 -1.858 1.00 0.00 H new ATOM 337 N ASP A 22 6.224 7.389 2.637 1.00 0.00 N ATOM 338 CA ASP A 22 5.699 8.603 3.329 1.00 0.00 C ATOM 339 C ASP A 22 6.037 8.549 4.823 1.00 0.00 C ATOM 340 O ASP A 22 5.659 9.418 5.582 1.00 0.00 O ATOM 341 CB ASP A 22 4.181 8.667 3.153 1.00 0.00 C ATOM 342 CG ASP A 22 3.830 8.469 1.677 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.626 8.863 0.841 1.00 0.00 O ATOM 344 OD2 ASP A 22 2.773 7.923 1.409 1.00 0.00 O ATOM 0 H ASP A 22 5.536 6.657 2.464 1.00 0.00 H new ATOM 0 HA ASP A 22 6.161 9.489 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.701 7.898 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.804 9.628 3.502 1.00 0.00 H new ATOM 349 N GLY A 23 6.756 7.546 5.251 1.00 0.00 N ATOM 350 CA GLY A 23 7.126 7.452 6.696 1.00 0.00 C ATOM 351 C GLY A 23 6.021 6.739 7.479 1.00 0.00 C ATOM 352 O GLY A 23 6.265 6.155 8.516 1.00 0.00 O ATOM 0 H GLY A 23 7.104 6.788 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.066 6.910 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.285 8.450 7.104 1.00 0.00 H new ATOM 356 N ARG A 24 4.806 6.777 7.000 1.00 0.00 N ATOM 357 CA ARG A 24 3.702 6.095 7.733 1.00 0.00 C ATOM 358 C ARG A 24 3.897 4.581 7.642 1.00 0.00 C ATOM 359 O ARG A 24 4.547 4.083 6.745 1.00 0.00 O ATOM 360 CB ARG A 24 2.357 6.479 7.112 1.00 0.00 C ATOM 361 CG ARG A 24 2.290 5.976 5.664 1.00 0.00 C ATOM 362 CD ARG A 24 1.228 6.763 4.893 1.00 0.00 C ATOM 363 NE ARG A 24 1.612 8.203 4.865 1.00 0.00 N ATOM 364 CZ ARG A 24 1.027 9.018 4.031 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.090 8.579 3.237 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.376 10.275 3.996 1.00 0.00 N ATOM 0 H ARG A 24 4.532 7.248 6.138 1.00 0.00 H new ATOM 0 HA ARG A 24 3.714 6.403 8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.542 6.049 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.230 7.561 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.262 6.091 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.051 4.913 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.138 6.378 3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.254 6.643 5.366 1.00 0.00 H new ATOM 0 HE ARG A 24 2.332 8.551 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.186 7.598 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.367 9.217 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.105 10.619 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.919 10.913 3.344 1.00 0.00 H new ATOM 380 N TYR A 25 3.346 3.842 8.564 1.00 0.00 N ATOM 381 CA TYR A 25 3.514 2.362 8.524 1.00 0.00 C ATOM 382 C TYR A 25 2.638 1.780 7.410 1.00 0.00 C ATOM 383 O TYR A 25 1.653 2.373 7.007 1.00 0.00 O ATOM 384 CB TYR A 25 3.103 1.767 9.872 1.00 0.00 C ATOM 385 CG TYR A 25 4.118 2.165 10.922 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.396 1.594 10.912 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.781 3.108 11.903 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.338 1.964 11.882 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.723 3.479 12.871 1.00 0.00 C ATOM 390 CZ TYR A 25 6.001 2.906 12.862 1.00 0.00 C ATOM 391 OH TYR A 25 6.928 3.270 13.817 1.00 0.00 O ATOM 0 H TYR A 25 2.789 4.197 9.341 1.00 0.00 H new ATOM 0 HA TYR A 25 4.557 2.116 8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.112 2.123 10.153 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.043 0.681 9.800 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.657 0.868 10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.795 3.548 11.912 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.324 1.523 11.874 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.464 4.208 13.625 1.00 0.00 H new ATOM 0 HH TYR A 25 6.766 4.196 14.094 1.00 0.00 H new ATOM 401 N LEU A 26 3.001 0.625 6.906 1.00 0.00 N ATOM 402 CA LEU A 26 2.218 -0.018 5.802 1.00 0.00 C ATOM 403 C LEU A 26 1.987 -1.492 6.143 1.00 0.00 C ATOM 404 O LEU A 26 2.915 -2.272 6.238 1.00 0.00 O ATOM 405 CB LEU A 26 3.022 0.103 4.491 1.00 0.00 C ATOM 406 CG LEU A 26 2.508 -0.880 3.420 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.004 -0.697 3.213 1.00 0.00 C ATOM 408 CD2 LEU A 26 3.226 -0.603 2.097 1.00 0.00 C ATOM 0 H LEU A 26 3.815 0.094 7.216 1.00 0.00 H new ATOM 0 HA LEU A 26 1.253 0.474 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.953 1.123 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.076 -0.092 4.690 1.00 0.00 H new ATOM 0 HG LEU A 26 2.705 -1.900 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.653 -1.397 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.482 -0.887 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.803 0.323 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.866 -1.295 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.024 0.420 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.299 -0.736 2.231 1.00 0.00 H new ATOM 420 N TYR A 27 0.745 -1.875 6.308 1.00 0.00 N ATOM 421 CA TYR A 27 0.410 -3.298 6.621 1.00 0.00 C ATOM 422 C TYR A 27 -0.441 -3.864 5.486 1.00 0.00 C ATOM 423 O TYR A 27 -1.598 -3.516 5.327 1.00 0.00 O ATOM 424 CB TYR A 27 -0.378 -3.361 7.930 1.00 0.00 C ATOM 425 CG TYR A 27 -0.924 -4.756 8.131 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.061 -5.790 8.499 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.287 -5.014 7.949 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.558 -7.085 8.690 1.00 0.00 C ATOM 429 CE2 TYR A 27 -2.785 -6.309 8.138 1.00 0.00 C ATOM 430 CZ TYR A 27 -1.921 -7.345 8.508 1.00 0.00 C ATOM 431 OH TYR A 27 -2.413 -8.621 8.696 1.00 0.00 O ATOM 0 H TYR A 27 -0.061 -1.254 6.238 1.00 0.00 H new ATOM 0 HA TYR A 27 1.325 -3.881 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.266 -3.088 8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.195 -2.640 7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.991 -5.591 8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.955 -4.215 7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.110 -7.883 8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.837 -6.508 7.998 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.379 -8.627 8.530 1.00 0.00 H new ATOM 441 N LYS A 28 0.126 -4.737 4.699 1.00 0.00 N ATOM 442 CA LYS A 28 -0.636 -5.353 3.568 1.00 0.00 C ATOM 443 C LYS A 28 -1.073 -6.761 3.972 1.00 0.00 C ATOM 444 O LYS A 28 -0.355 -7.469 4.649 1.00 0.00 O ATOM 445 CB LYS A 28 0.255 -5.436 2.328 1.00 0.00 C ATOM 446 CG LYS A 28 -0.604 -5.834 1.121 1.00 0.00 C ATOM 447 CD LYS A 28 0.274 -5.983 -0.144 1.00 0.00 C ATOM 448 CE LYS A 28 0.272 -4.677 -0.944 1.00 0.00 C ATOM 449 NZ LYS A 28 0.850 -3.588 -0.112 1.00 0.00 N ATOM 0 H LYS A 28 1.091 -5.054 4.789 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.510 -4.742 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.738 -4.476 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.048 -6.167 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.118 -6.773 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.373 -5.081 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.294 -6.243 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.102 -6.798 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.852 -4.797 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.745 -4.422 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.928 -2.721 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.233 -3.411 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.794 -3.870 0.221 1.00 0.00 H new ATOM 463 N TYR A 29 -2.237 -7.180 3.561 1.00 0.00 N ATOM 464 CA TYR A 29 -2.698 -8.552 3.922 1.00 0.00 C ATOM 465 C TYR A 29 -3.735 -9.039 2.905 1.00 0.00 C ATOM 466 O TYR A 29 -4.637 -8.318 2.526 1.00 0.00 O ATOM 467 CB TYR A 29 -3.300 -8.540 5.338 1.00 0.00 C ATOM 468 CG TYR A 29 -4.680 -7.921 5.329 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.804 -8.725 5.104 1.00 0.00 C ATOM 470 CD2 TYR A 29 -4.837 -6.547 5.555 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.084 -8.157 5.105 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.118 -5.979 5.554 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.240 -6.784 5.328 1.00 0.00 C ATOM 474 OH TYR A 29 -8.502 -6.226 5.330 1.00 0.00 O ATOM 0 H TYR A 29 -2.887 -6.636 2.994 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.848 -9.234 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.356 -9.558 5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.650 -7.980 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.684 -9.784 4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.971 -5.926 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.951 -8.778 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.239 -4.920 5.728 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.464 -5.332 5.730 1.00 0.00 H new ATOM 484 N ILE A 30 -3.613 -10.261 2.462 1.00 0.00 N ATOM 485 CA ILE A 30 -4.589 -10.802 1.473 1.00 0.00 C ATOM 486 C ILE A 30 -5.936 -11.021 2.170 1.00 0.00 C ATOM 487 O ILE A 30 -6.038 -11.768 3.122 1.00 0.00 O ATOM 488 CB ILE A 30 -4.056 -12.129 0.915 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.546 -12.011 0.678 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.751 -12.466 -0.406 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.237 -10.781 -0.175 1.00 0.00 C ATOM 0 H ILE A 30 -2.878 -10.910 2.743 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.723 -10.099 0.650 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.258 -12.922 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.026 -11.940 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.178 -12.908 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.364 -13.409 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.825 -12.555 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.561 -11.674 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.161 -10.710 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.742 -10.869 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.587 -9.885 0.338 1.00 0.00 H new ATOM 503 N ASP A 31 -6.967 -10.362 1.712 1.00 0.00 N ATOM 504 CA ASP A 31 -8.304 -10.519 2.359 1.00 0.00 C ATOM 505 C ASP A 31 -9.006 -11.764 1.817 1.00 0.00 C ATOM 506 O ASP A 31 -8.540 -12.407 0.897 1.00 0.00 O ATOM 507 CB ASP A 31 -9.159 -9.283 2.062 1.00 0.00 C ATOM 508 CG ASP A 31 -9.052 -8.930 0.577 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.581 -9.764 -0.179 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.443 -7.830 0.220 1.00 0.00 O ATOM 0 H ASP A 31 -6.942 -9.722 0.918 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.170 -10.626 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.199 -9.475 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.826 -8.443 2.671 1.00 0.00 H new ATOM 515 N SER A 32 -10.129 -12.109 2.389 1.00 0.00 N ATOM 516 CA SER A 32 -10.875 -13.311 1.921 1.00 0.00 C ATOM 517 C SER A 32 -11.632 -12.975 0.636 1.00 0.00 C ATOM 518 O SER A 32 -12.520 -13.695 0.221 1.00 0.00 O ATOM 519 CB SER A 32 -11.871 -13.736 2.997 1.00 0.00 C ATOM 520 OG SER A 32 -11.175 -13.988 4.211 1.00 0.00 O ATOM 0 H SER A 32 -10.563 -11.607 3.164 1.00 0.00 H new ATOM 0 HA SER A 32 -10.173 -14.122 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.616 -12.955 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.407 -14.631 2.679 1.00 0.00 H new ATOM 0 HG SER A 32 -11.813 -14.259 4.904 1.00 0.00 H new ATOM 526 N PHE A 33 -11.286 -11.888 0.002 1.00 0.00 N ATOM 527 CA PHE A 33 -11.976 -11.496 -1.260 1.00 0.00 C ATOM 528 C PHE A 33 -11.151 -12.011 -2.440 1.00 0.00 C ATOM 529 O PHE A 33 -11.679 -12.341 -3.484 1.00 0.00 O ATOM 530 CB PHE A 33 -12.070 -9.963 -1.324 1.00 0.00 C ATOM 531 CG PHE A 33 -13.286 -9.486 -0.556 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.311 -9.580 0.840 1.00 0.00 C ATOM 533 CD2 PHE A 33 -14.385 -8.950 -1.241 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.433 -9.139 1.552 1.00 0.00 C ATOM 535 CE2 PHE A 33 -15.507 -8.508 -0.529 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.531 -8.603 0.867 1.00 0.00 C ATOM 0 H PHE A 33 -10.550 -11.250 0.306 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.980 -11.920 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.168 -9.517 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.135 -9.637 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.464 -9.993 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -14.367 -8.878 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.452 -9.212 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.353 -8.094 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.396 -8.263 1.416 1.00 0.00 H new ATOM 546 N GLY A 34 -9.857 -12.081 -2.272 1.00 0.00 N ATOM 547 CA GLY A 34 -8.965 -12.575 -3.366 1.00 0.00 C ATOM 548 C GLY A 34 -8.151 -11.409 -3.923 1.00 0.00 C ATOM 549 O GLY A 34 -7.773 -11.401 -5.077 1.00 0.00 O ATOM 0 H GLY A 34 -9.373 -11.814 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.299 -13.349 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.560 -13.029 -4.158 1.00 0.00 H new ATOM 553 N GLU A 35 -7.871 -10.419 -3.113 1.00 0.00 N ATOM 554 CA GLU A 35 -7.075 -9.259 -3.612 1.00 0.00 C ATOM 555 C GLU A 35 -6.435 -8.513 -2.422 1.00 0.00 C ATOM 556 O GLU A 35 -7.117 -8.170 -1.477 1.00 0.00 O ATOM 557 CB GLU A 35 -8.000 -8.303 -4.371 1.00 0.00 C ATOM 558 CG GLU A 35 -9.095 -7.802 -3.428 1.00 0.00 C ATOM 559 CD GLU A 35 -10.269 -7.251 -4.242 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.127 -7.138 -5.449 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.290 -6.952 -3.644 1.00 0.00 O ATOM 0 H GLU A 35 -8.157 -10.364 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.289 -9.619 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.429 -7.461 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.445 -8.812 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.435 -8.615 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.698 -7.025 -2.775 1.00 0.00 H new ATOM 568 N PRO A 36 -5.140 -8.253 -2.454 1.00 0.00 N ATOM 569 CA PRO A 36 -4.443 -7.531 -1.349 1.00 0.00 C ATOM 570 C PRO A 36 -5.278 -6.388 -0.760 1.00 0.00 C ATOM 571 O PRO A 36 -6.167 -5.858 -1.399 1.00 0.00 O ATOM 572 CB PRO A 36 -3.187 -6.990 -2.029 1.00 0.00 C ATOM 573 CG PRO A 36 -2.850 -8.018 -3.061 1.00 0.00 C ATOM 574 CD PRO A 36 -4.188 -8.611 -3.530 1.00 0.00 C ATOM 0 HA PRO A 36 -4.242 -8.184 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.369 -6.016 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.373 -6.862 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.310 -7.570 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.206 -8.792 -2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.495 -8.193 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.121 -9.691 -3.660 1.00 0.00 H new ATOM 582 N GLN A 37 -4.990 -6.007 0.459 1.00 0.00 N ATOM 583 CA GLN A 37 -5.748 -4.898 1.119 1.00 0.00 C ATOM 584 C GLN A 37 -4.758 -3.972 1.835 1.00 0.00 C ATOM 585 O GLN A 37 -3.997 -4.399 2.681 1.00 0.00 O ATOM 586 CB GLN A 37 -6.722 -5.492 2.136 1.00 0.00 C ATOM 587 CG GLN A 37 -7.687 -4.406 2.628 1.00 0.00 C ATOM 588 CD GLN A 37 -8.772 -4.167 1.577 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.812 -4.795 1.604 1.00 0.00 O ATOM 590 NE2 GLN A 37 -8.572 -3.277 0.645 1.00 0.00 N ATOM 0 H GLN A 37 -4.254 -6.421 1.032 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.304 -4.331 0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.282 -6.310 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.172 -5.911 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.141 -4.710 3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.142 -3.481 2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.699 -2.750 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.288 -3.108 -0.061 1.00 0.00 H new ATOM 599 N PHE A 38 -4.755 -2.711 1.493 1.00 0.00 N ATOM 600 CA PHE A 38 -3.807 -1.751 2.141 1.00 0.00 C ATOM 601 C PHE A 38 -4.400 -1.174 3.435 1.00 0.00 C ATOM 602 O PHE A 38 -5.558 -0.808 3.500 1.00 0.00 O ATOM 603 CB PHE A 38 -3.520 -0.588 1.165 1.00 0.00 C ATOM 604 CG PHE A 38 -2.289 -0.867 0.330 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.372 -1.676 -0.805 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.066 -0.288 0.689 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.232 -1.904 -1.580 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.074 -0.522 -0.086 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.010 -1.330 -1.221 1.00 0.00 C ATOM 0 H PHE A 38 -5.370 -2.301 0.790 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.890 -2.287 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.379 -0.437 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.380 0.336 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.314 -2.124 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.003 0.340 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.296 -2.527 -2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.018 -0.078 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.869 -1.511 -1.821 1.00 0.00 H new ATOM 619 N VAL A 39 -3.578 -1.038 4.442 1.00 0.00 N ATOM 620 CA VAL A 39 -4.021 -0.426 5.732 1.00 0.00 C ATOM 621 C VAL A 39 -2.921 0.550 6.152 1.00 0.00 C ATOM 622 O VAL A 39 -1.808 0.153 6.437 1.00 0.00 O ATOM 623 CB VAL A 39 -4.199 -1.502 6.807 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.801 -0.869 8.067 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.142 -2.591 6.291 1.00 0.00 C ATOM 0 H VAL A 39 -2.601 -1.330 4.425 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.979 0.079 5.611 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.229 -1.941 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.928 -1.634 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.133 -0.091 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.770 -0.431 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.268 -3.356 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.111 -2.151 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.720 -3.042 5.393 1.00 0.00 H new ATOM 635 N TYR A 40 -3.205 1.828 6.149 1.00 0.00 N ATOM 636 CA TYR A 40 -2.155 2.837 6.500 1.00 0.00 C ATOM 637 C TYR A 40 -2.323 3.321 7.939 1.00 0.00 C ATOM 638 O TYR A 40 -3.414 3.369 8.473 1.00 0.00 O ATOM 639 CB TYR A 40 -2.292 4.041 5.565 1.00 0.00 C ATOM 640 CG TYR A 40 -1.892 3.647 4.162 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.537 3.558 3.822 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.874 3.377 3.201 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.164 3.199 2.521 1.00 0.00 C ATOM 644 CE2 TYR A 40 -2.500 3.019 1.899 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.146 2.931 1.559 1.00 0.00 C ATOM 646 OH TYR A 40 -0.777 2.579 0.273 1.00 0.00 O ATOM 0 H TYR A 40 -4.119 2.218 5.919 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.176 2.370 6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.320 4.403 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.663 4.859 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.221 3.766 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.919 3.445 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.881 3.129 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.257 2.811 1.158 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.449 1.655 0.268 1.00 0.00 H new ATOM 656 N SER A 41 -1.236 3.692 8.561 1.00 0.00 N ATOM 657 CA SER A 41 -1.304 4.193 9.964 1.00 0.00 C ATOM 658 C SER A 41 0.002 4.913 10.300 1.00 0.00 C ATOM 659 O SER A 41 1.038 4.632 9.731 1.00 0.00 O ATOM 660 CB SER A 41 -1.498 3.024 10.926 1.00 0.00 C ATOM 661 OG SER A 41 -1.464 3.506 12.263 1.00 0.00 O ATOM 0 H SER A 41 -0.300 3.669 8.156 1.00 0.00 H new ATOM 0 HA SER A 41 -2.145 4.879 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.450 2.530 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.716 2.280 10.775 1.00 0.00 H new ATOM 0 HG SER A 41 -0.716 3.091 12.741 1.00 0.00 H new ATOM 667 N TRP A 42 -0.038 5.841 11.222 1.00 0.00 N ATOM 668 CA TRP A 42 1.198 6.586 11.605 1.00 0.00 C ATOM 669 C TRP A 42 1.710 6.056 12.941 1.00 0.00 C ATOM 670 O TRP A 42 2.888 6.099 13.232 1.00 0.00 O ATOM 671 CB TRP A 42 0.861 8.070 11.762 1.00 0.00 C ATOM 672 CG TRP A 42 0.617 8.681 10.420 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.602 8.964 9.905 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.591 9.094 9.421 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.436 9.527 8.652 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.897 9.628 8.310 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.996 9.058 9.370 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.573 10.109 7.189 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.680 9.541 8.242 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.969 10.066 7.154 1.00 0.00 C ATOM 0 H TRP A 42 -0.880 6.116 11.729 1.00 0.00 H new ATOM 0 HA TRP A 42 1.958 6.454 10.835 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.022 8.187 12.390 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.680 8.587 12.263 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.548 8.781 10.392 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.205 9.830 8.054 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.553 8.656 10.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.021 10.512 6.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.759 9.508 8.213 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.500 10.437 6.290 1.00 0.00 H new ATOM 691 N LYS A 43 0.821 5.572 13.767 1.00 0.00 N ATOM 692 CA LYS A 43 1.228 5.053 15.105 1.00 0.00 C ATOM 693 C LYS A 43 1.337 3.525 15.059 1.00 0.00 C ATOM 694 O LYS A 43 0.377 2.837 14.782 1.00 0.00 O ATOM 695 CB LYS A 43 0.163 5.451 16.138 1.00 0.00 C ATOM 696 CG LYS A 43 -0.110 6.964 16.068 1.00 0.00 C ATOM 697 CD LYS A 43 -1.482 7.282 16.687 1.00 0.00 C ATOM 698 CE LYS A 43 -1.628 6.590 18.044 1.00 0.00 C ATOM 699 NZ LYS A 43 -2.674 7.286 18.845 1.00 0.00 N ATOM 0 H LYS A 43 -0.178 5.514 13.570 1.00 0.00 H new ATOM 0 HA LYS A 43 2.195 5.474 15.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.758 4.899 15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.499 5.181 17.139 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.672 7.508 16.598 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.084 7.299 15.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.593 8.360 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.276 6.953 16.016 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.898 5.543 17.904 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.677 6.605 18.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.774 6.817 19.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.398 8.278 18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.581 7.250 18.338 1.00 0.00 H new ATOM 713 N LEU A 44 2.488 2.982 15.350 1.00 0.00 N ATOM 714 CA LEU A 44 2.616 1.497 15.343 1.00 0.00 C ATOM 715 C LEU A 44 1.935 0.969 16.603 1.00 0.00 C ATOM 716 O LEU A 44 1.616 -0.193 16.717 1.00 0.00 O ATOM 717 CB LEU A 44 4.099 1.099 15.337 1.00 0.00 C ATOM 718 CG LEU A 44 4.252 -0.418 15.526 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.437 -1.168 14.462 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.733 -0.789 15.389 1.00 0.00 C ATOM 0 H LEU A 44 3.336 3.495 15.590 1.00 0.00 H new ATOM 0 HA LEU A 44 2.149 1.076 14.453 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.559 1.402 14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.626 1.625 16.133 1.00 0.00 H new ATOM 0 HG LEU A 44 3.886 -0.698 16.514 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.553 -2.242 14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.384 -0.901 14.555 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.795 -0.894 13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.852 -1.864 15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.090 -0.504 14.399 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.312 -0.263 16.149 1.00 0.00 H new ATOM 732 N VAL A 45 1.696 1.835 17.548 1.00 0.00 N ATOM 733 CA VAL A 45 1.020 1.418 18.808 1.00 0.00 C ATOM 734 C VAL A 45 0.124 2.565 19.266 1.00 0.00 C ATOM 735 O VAL A 45 0.342 3.709 18.922 1.00 0.00 O ATOM 736 CB VAL A 45 2.071 1.084 19.870 1.00 0.00 C ATOM 737 CG1 VAL A 45 3.156 0.204 19.244 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.710 2.374 20.408 1.00 0.00 C ATOM 0 H VAL A 45 1.943 2.824 17.500 1.00 0.00 H new ATOM 0 HA VAL A 45 0.414 0.527 18.646 1.00 0.00 H new ATOM 0 HB VAL A 45 1.591 0.556 20.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.908 -0.037 19.996 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.707 -0.717 18.871 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.627 0.738 18.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.456 2.123 21.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.188 2.912 19.590 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.940 3.003 20.854 1.00 0.00 H new ATOM 748 N ALA A 46 -0.900 2.271 20.007 1.00 0.00 N ATOM 749 CA ALA A 46 -1.823 3.349 20.443 1.00 0.00 C ATOM 750 C ALA A 46 -1.198 4.175 21.573 1.00 0.00 C ATOM 751 O ALA A 46 -1.773 4.335 22.632 1.00 0.00 O ATOM 752 CB ALA A 46 -3.143 2.717 20.894 1.00 0.00 C ATOM 0 H ALA A 46 -1.139 1.333 20.330 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.012 4.026 19.610 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.830 3.500 21.217 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.585 2.166 20.064 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.955 2.035 21.723 1.00 0.00 H new ATOM 758 N THR A 47 -0.035 4.729 21.340 1.00 0.00 N ATOM 759 CA THR A 47 0.626 5.580 22.379 1.00 0.00 C ATOM 760 C THR A 47 1.455 6.668 21.686 1.00 0.00 C ATOM 761 O THR A 47 1.694 7.726 22.233 1.00 0.00 O ATOM 762 CB THR A 47 1.540 4.733 23.276 1.00 0.00 C ATOM 763 OG1 THR A 47 2.730 4.408 22.574 1.00 0.00 O ATOM 764 CG2 THR A 47 0.818 3.452 23.706 1.00 0.00 C ATOM 0 H THR A 47 0.489 4.628 20.470 1.00 0.00 H new ATOM 0 HA THR A 47 -0.144 6.035 23.002 1.00 0.00 H new ATOM 0 HB THR A 47 1.795 5.306 24.167 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.312 3.869 23.149 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.476 2.859 24.342 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.084 3.711 24.260 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.548 2.873 22.823 1.00 0.00 H new ATOM 772 N ASP A 48 1.893 6.414 20.481 1.00 0.00 N ATOM 773 CA ASP A 48 2.703 7.420 19.738 1.00 0.00 C ATOM 774 C ASP A 48 1.832 8.635 19.380 1.00 0.00 C ATOM 775 O ASP A 48 0.791 8.854 19.966 1.00 0.00 O ATOM 776 CB ASP A 48 3.236 6.764 18.461 1.00 0.00 C ATOM 777 CG ASP A 48 4.406 5.840 18.808 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.613 5.595 19.986 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.076 5.392 17.892 1.00 0.00 O ATOM 0 H ASP A 48 1.722 5.544 19.977 1.00 0.00 H new ATOM 0 HA ASP A 48 3.533 7.761 20.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.443 6.196 17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.560 7.529 17.755 1.00 0.00 H new ATOM 784 N ARG A 49 2.260 9.430 18.424 1.00 0.00 N ATOM 785 CA ARG A 49 1.478 10.644 18.013 1.00 0.00 C ATOM 786 C ARG A 49 1.309 10.638 16.482 1.00 0.00 C ATOM 787 O ARG A 49 1.398 9.603 15.854 1.00 0.00 O ATOM 788 CB ARG A 49 2.252 11.899 18.456 1.00 0.00 C ATOM 789 CG ARG A 49 2.010 12.176 19.953 1.00 0.00 C ATOM 790 CD ARG A 49 0.755 13.034 20.127 1.00 0.00 C ATOM 791 NE ARG A 49 1.055 14.439 19.733 1.00 0.00 N ATOM 792 CZ ARG A 49 0.079 15.272 19.501 1.00 0.00 C ATOM 793 NH1 ARG A 49 -1.158 14.876 19.616 1.00 0.00 N ATOM 794 NH2 ARG A 49 0.341 16.503 19.154 1.00 0.00 N ATOM 0 H ARG A 49 3.127 9.288 17.906 1.00 0.00 H new ATOM 0 HA ARG A 49 0.493 10.641 18.479 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.318 11.761 18.272 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.935 12.758 17.864 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.896 11.236 20.492 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.873 12.686 20.382 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.056 12.639 19.515 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.419 13.000 21.163 1.00 0.00 H new ATOM 0 HE ARG A 49 2.023 14.749 19.645 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.362 13.914 19.888 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.921 15.528 19.434 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.309 16.813 19.064 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.422 17.155 18.972 1.00 0.00 H new ATOM 808 N VAL A 50 1.067 11.779 15.876 1.00 0.00 N ATOM 809 CA VAL A 50 0.892 11.825 14.388 1.00 0.00 C ATOM 810 C VAL A 50 1.290 13.222 13.870 1.00 0.00 C ATOM 811 O VAL A 50 0.816 14.219 14.376 1.00 0.00 O ATOM 812 CB VAL A 50 -0.584 11.588 14.028 1.00 0.00 C ATOM 813 CG1 VAL A 50 -1.040 10.232 14.562 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.452 12.701 14.637 1.00 0.00 C ATOM 0 H VAL A 50 0.983 12.679 16.348 1.00 0.00 H new ATOM 0 HA VAL A 50 1.517 11.055 13.936 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.691 11.599 12.943 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.087 10.072 14.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.432 9.443 14.119 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.928 10.211 15.646 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.497 12.529 14.380 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.340 12.698 15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.135 13.666 14.243 1.00 0.00 H new ATOM 824 N PRO A 51 2.144 13.315 12.867 1.00 0.00 N ATOM 825 CA PRO A 51 2.563 14.633 12.305 1.00 0.00 C ATOM 826 C PRO A 51 1.397 15.615 12.184 1.00 0.00 C ATOM 827 O PRO A 51 0.342 15.289 11.681 1.00 0.00 O ATOM 828 CB PRO A 51 3.108 14.265 10.922 1.00 0.00 C ATOM 829 CG PRO A 51 3.666 12.888 11.086 1.00 0.00 C ATOM 830 CD PRO A 51 2.809 12.198 12.160 1.00 0.00 C ATOM 0 HA PRO A 51 3.287 15.140 12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.321 14.286 10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.877 14.968 10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.627 12.338 10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.712 12.926 11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.082 11.520 11.714 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.422 11.606 12.839 1.00 0.00 H new ATOM 838 N ALA A 52 1.585 16.817 12.640 1.00 0.00 N ATOM 839 CA ALA A 52 0.498 17.826 12.552 1.00 0.00 C ATOM 840 C ALA A 52 -0.021 17.898 11.111 1.00 0.00 C ATOM 841 O ALA A 52 0.744 17.898 10.166 1.00 0.00 O ATOM 842 CB ALA A 52 1.056 19.184 12.975 1.00 0.00 C ATOM 0 H ALA A 52 2.448 17.146 13.072 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.326 17.547 13.208 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.269 19.935 12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.423 19.123 14.000 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.875 19.463 12.312 1.00 0.00 H new ATOM 848 N GLY A 53 -1.318 17.965 10.935 1.00 0.00 N ATOM 849 CA GLY A 53 -1.897 18.042 9.555 1.00 0.00 C ATOM 850 C GLY A 53 -2.400 16.661 9.125 1.00 0.00 C ATOM 851 O GLY A 53 -3.208 16.538 8.227 1.00 0.00 O ATOM 0 H GLY A 53 -2.004 17.970 11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.717 18.760 9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.143 18.399 8.854 1.00 0.00 H new ATOM 855 N LYS A 54 -1.928 15.620 9.758 1.00 0.00 N ATOM 856 CA LYS A 54 -2.376 14.246 9.390 1.00 0.00 C ATOM 857 C LYS A 54 -3.646 13.898 10.172 1.00 0.00 C ATOM 858 O LYS A 54 -3.906 14.443 11.228 1.00 0.00 O ATOM 859 CB LYS A 54 -1.261 13.253 9.747 1.00 0.00 C ATOM 860 CG LYS A 54 -0.169 13.261 8.667 1.00 0.00 C ATOM 861 CD LYS A 54 0.235 14.705 8.316 1.00 0.00 C ATOM 862 CE LYS A 54 1.524 14.717 7.461 1.00 0.00 C ATOM 863 NZ LYS A 54 1.299 15.558 6.253 1.00 0.00 N ATOM 0 H LYS A 54 -1.248 15.663 10.517 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.589 14.195 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.828 13.515 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.677 12.250 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.703 12.709 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.530 12.751 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.574 15.192 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.393 15.277 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.358 15.110 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.790 13.701 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.162 15.571 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.514 15.163 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.064 16.528 6.544 1.00 0.00 H new ATOM 877 N ARG A 55 -4.440 12.994 9.663 1.00 0.00 N ATOM 878 CA ARG A 55 -5.691 12.611 10.375 1.00 0.00 C ATOM 879 C ARG A 55 -5.362 11.620 11.493 1.00 0.00 C ATOM 880 O ARG A 55 -4.533 10.746 11.337 1.00 0.00 O ATOM 881 CB ARG A 55 -6.659 11.954 9.389 1.00 0.00 C ATOM 882 CG ARG A 55 -7.026 12.948 8.261 1.00 0.00 C ATOM 883 CD ARG A 55 -8.505 12.805 7.897 1.00 0.00 C ATOM 884 NE ARG A 55 -8.822 11.374 7.632 1.00 0.00 N ATOM 885 CZ ARG A 55 -10.065 10.972 7.632 1.00 0.00 C ATOM 886 NH1 ARG A 55 -11.023 11.817 7.900 1.00 0.00 N ATOM 887 NH2 ARG A 55 -10.349 9.727 7.370 1.00 0.00 N ATOM 0 H ARG A 55 -4.275 12.504 8.784 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.150 13.503 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.205 11.060 8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.561 11.635 9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.820 13.969 8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.407 12.759 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.127 13.181 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.732 13.407 7.017 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.070 10.709 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.801 12.790 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.994 11.504 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.600 9.065 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.320 9.414 7.370 1.00 0.00 H new ATOM 901 N ASP A 56 -6.007 11.747 12.619 1.00 0.00 N ATOM 902 CA ASP A 56 -5.731 10.811 13.743 1.00 0.00 C ATOM 903 C ASP A 56 -6.273 9.423 13.393 1.00 0.00 C ATOM 904 O ASP A 56 -7.161 9.279 12.578 1.00 0.00 O ATOM 905 CB ASP A 56 -6.413 11.323 15.014 1.00 0.00 C ATOM 906 CG ASP A 56 -5.912 12.736 15.327 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.383 13.665 14.692 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.068 12.863 16.199 1.00 0.00 O ATOM 0 H ASP A 56 -6.713 12.458 12.809 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.656 10.749 13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.495 11.330 14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.198 10.656 15.849 1.00 0.00 H new ATOM 913 N ALA A 57 -5.740 8.400 14.001 1.00 0.00 N ATOM 914 CA ALA A 57 -6.218 7.021 13.704 1.00 0.00 C ATOM 915 C ALA A 57 -5.697 6.072 14.781 1.00 0.00 C ATOM 916 O ALA A 57 -4.718 6.352 15.443 1.00 0.00 O ATOM 917 CB ALA A 57 -5.680 6.580 12.334 1.00 0.00 C ATOM 0 H ALA A 57 -4.992 8.460 14.692 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.308 7.002 13.690 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.028 5.571 12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.039 7.264 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.590 6.592 12.350 1.00 0.00 H new ATOM 923 N ILE A 58 -6.323 4.941 14.951 1.00 0.00 N ATOM 924 CA ILE A 58 -5.830 3.986 15.969 1.00 0.00 C ATOM 925 C ILE A 58 -4.539 3.376 15.448 1.00 0.00 C ATOM 926 O ILE A 58 -4.270 3.393 14.263 1.00 0.00 O ATOM 927 CB ILE A 58 -6.861 2.876 16.192 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.023 2.039 14.908 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.207 3.492 16.559 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.191 1.037 15.049 1.00 0.00 C ATOM 0 H ILE A 58 -7.148 4.642 14.431 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.662 4.500 16.915 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.516 2.233 17.002 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.204 2.698 14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.099 1.500 14.701 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.939 2.700 16.717 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.102 4.077 17.473 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.543 4.140 15.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.286 0.458 14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.995 0.364 15.884 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.117 1.581 15.232 1.00 0.00 H new ATOM 942 N SER A 59 -3.737 2.834 16.306 1.00 0.00 N ATOM 943 CA SER A 59 -2.475 2.227 15.827 1.00 0.00 C ATOM 944 C SER A 59 -2.811 1.106 14.852 1.00 0.00 C ATOM 945 O SER A 59 -3.905 0.579 14.850 1.00 0.00 O ATOM 946 CB SER A 59 -1.701 1.667 17.019 1.00 0.00 C ATOM 947 OG SER A 59 -1.930 0.267 17.126 1.00 0.00 O ATOM 0 H SER A 59 -3.897 2.784 17.312 1.00 0.00 H new ATOM 0 HA SER A 59 -1.862 2.976 15.325 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.636 1.862 16.897 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.014 2.167 17.935 1.00 0.00 H new ATOM 0 HG SER A 59 -1.868 -0.004 18.066 1.00 0.00 H new ATOM 953 N LEU A 60 -1.883 0.733 14.024 1.00 0.00 N ATOM 954 CA LEU A 60 -2.163 -0.357 13.059 1.00 0.00 C ATOM 955 C LEU A 60 -2.498 -1.632 13.849 1.00 0.00 C ATOM 956 O LEU A 60 -3.271 -2.456 13.410 1.00 0.00 O ATOM 957 CB LEU A 60 -0.917 -0.569 12.162 1.00 0.00 C ATOM 958 CG LEU A 60 -1.304 -0.561 10.677 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.033 -0.524 9.825 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.124 -1.812 10.341 1.00 0.00 C ATOM 0 H LEU A 60 -0.946 1.134 13.973 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.009 -0.105 12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.186 0.216 12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.440 -1.517 12.413 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.910 0.320 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.303 -0.518 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.536 0.376 10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.574 -1.403 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.394 -1.797 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.532 -2.703 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.030 -1.827 10.947 1.00 0.00 H new ATOM 972 N ARG A 61 -1.918 -1.796 15.011 1.00 0.00 N ATOM 973 CA ARG A 61 -2.200 -3.008 15.829 1.00 0.00 C ATOM 974 C ARG A 61 -3.710 -3.104 16.107 1.00 0.00 C ATOM 975 O ARG A 61 -4.263 -4.185 16.165 1.00 0.00 O ATOM 976 CB ARG A 61 -1.405 -2.915 17.155 1.00 0.00 C ATOM 977 CG ARG A 61 -0.202 -3.871 17.138 1.00 0.00 C ATOM 978 CD ARG A 61 0.798 -3.422 16.074 1.00 0.00 C ATOM 979 NE ARG A 61 2.051 -4.251 16.155 1.00 0.00 N ATOM 980 CZ ARG A 61 2.780 -4.301 17.240 1.00 0.00 C ATOM 981 NH1 ARG A 61 2.538 -3.501 18.243 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.793 -5.122 17.300 1.00 0.00 N ATOM 0 H ARG A 61 -1.259 -1.138 15.428 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.892 -3.904 15.291 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.060 -1.892 17.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.057 -3.159 17.993 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.277 -3.886 18.117 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.536 -4.888 16.931 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.353 -3.518 15.083 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.041 -2.369 16.214 1.00 0.00 H new ATOM 0 HE ARG A 61 2.341 -4.790 15.339 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.774 -2.828 18.186 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.113 -3.549 19.084 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.013 -5.720 16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.365 -5.165 18.143 1.00 0.00 H new ATOM 996 N GLU A 62 -4.387 -1.997 16.268 1.00 0.00 N ATOM 997 CA GLU A 62 -5.851 -2.071 16.527 1.00 0.00 C ATOM 998 C GLU A 62 -6.559 -2.386 15.209 1.00 0.00 C ATOM 999 O GLU A 62 -7.363 -3.293 15.128 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.344 -0.743 17.095 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.742 -0.528 18.486 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.409 -1.475 19.485 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.583 -1.757 19.313 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -5.733 -1.901 20.408 1.00 0.00 O ATOM 0 H GLU A 62 -3.993 -1.057 16.232 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.067 -2.853 17.255 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.060 0.076 16.434 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.432 -0.742 17.154 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.667 -0.708 18.460 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.884 0.506 18.799 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.242 -1.670 14.162 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.875 -1.967 12.846 1.00 0.00 C ATOM 1013 C LYS A 63 -6.606 -3.437 12.529 1.00 0.00 C ATOM 1014 O LYS A 63 -7.451 -4.147 12.037 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.253 -1.075 11.756 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.987 0.267 11.700 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.282 1.201 10.715 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.817 2.622 10.900 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.271 3.502 9.827 1.00 0.00 N ATOM 0 H LYS A 63 -5.576 -0.897 14.162 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.947 -1.771 12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.196 -0.913 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.313 -1.573 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.022 0.114 11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.012 0.720 12.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.205 1.180 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.452 0.866 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.906 2.620 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.531 3.005 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.263 4.488 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.301 3.207 9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.868 3.426 8.978 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.425 -3.890 12.826 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.065 -5.310 12.567 1.00 0.00 C ATOM 1035 C ILE A 64 -5.878 -6.207 13.509 1.00 0.00 C ATOM 1036 O ILE A 64 -6.207 -7.331 13.187 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.545 -5.461 12.825 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.759 -5.088 11.551 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.175 -6.891 13.243 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.347 -4.631 11.929 1.00 0.00 C ATOM 0 H ILE A 64 -4.682 -3.330 13.243 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.290 -5.603 11.541 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.283 -4.789 13.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.706 -5.946 10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.276 -4.294 11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.100 -6.954 13.414 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.704 -7.150 14.160 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.457 -7.586 12.452 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.796 -4.369 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.409 -3.761 12.582 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.830 -5.438 12.448 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.193 -5.716 14.674 1.00 0.00 N ATOM 1053 CA ALA A 65 -6.969 -6.526 15.653 1.00 0.00 C ATOM 1054 C ALA A 65 -8.356 -6.867 15.108 1.00 0.00 C ATOM 1055 O ALA A 65 -8.876 -7.937 15.356 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.119 -5.739 16.955 1.00 0.00 C ATOM 0 H ALA A 65 -5.944 -4.780 14.993 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.430 -7.456 15.834 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.687 -6.330 17.674 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.132 -5.520 17.364 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.645 -4.805 16.757 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.981 -5.971 14.391 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.344 -6.281 13.878 1.00 0.00 C ATOM 1064 C GLU A 66 -10.247 -7.266 12.714 1.00 0.00 C ATOM 1065 O GLU A 66 -11.144 -8.046 12.482 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.056 -4.998 13.440 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.155 -4.172 12.522 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.003 -3.163 11.741 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.043 -3.556 11.238 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -10.597 -2.014 11.661 1.00 0.00 O ATOM 0 H GLU A 66 -8.613 -5.053 14.142 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.928 -6.737 14.677 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.982 -5.248 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.330 -4.410 14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.400 -3.650 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.624 -4.827 11.832 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.165 -7.259 11.988 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.044 -8.233 10.861 1.00 0.00 C ATOM 1079 C LEU A 67 -9.010 -9.643 11.449 1.00 0.00 C ATOM 1080 O LEU A 67 -9.605 -10.565 10.926 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.751 -7.990 10.077 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.573 -6.497 9.825 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.241 -6.257 9.117 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -8.719 -5.982 8.950 1.00 0.00 C ATOM 0 H LEU A 67 -8.370 -6.634 12.120 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.891 -8.112 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.899 -8.378 10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.783 -8.527 9.129 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.580 -5.965 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.112 -5.190 8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.426 -6.620 9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.233 -6.790 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.589 -4.915 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.716 -6.512 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.669 -6.152 9.457 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.318 -9.809 12.542 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.238 -11.146 13.184 1.00 0.00 C ATOM 1098 C GLN A 68 -9.490 -11.358 14.035 1.00 0.00 C ATOM 1099 O GLN A 68 -9.470 -12.050 15.033 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.997 -11.192 14.077 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.750 -11.454 13.228 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.540 -11.621 14.148 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.470 -10.915 15.244 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -3.652 -12.401 13.869 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.802 -9.070 13.019 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.172 -11.928 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.890 -10.249 14.614 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.107 -11.975 14.827 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.889 -12.351 12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.585 -10.627 12.538 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.708 -12.952 13.012 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.850 -12.505 14.491 1.00 0.00 H new