USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 SER OG : rot 180:sc= -0.0502 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0289 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 37 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.55! C(o=-4.6!,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.000429 (180deg=-0.0832) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.38 K(o=-0.38,f=-6.4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 TYR OH : rot 116:sc= 0.527 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-0.94) USER MOD Single : A 77 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-0.67) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= -1.46! (180deg=-1.6!) USER MOD Single : A 81 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-6!) USER MOD Single : A 82 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.24) USER MOD Single : A 84 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 91 SER OG : rot -104:sc= 1.12 USER MOD Single : A 92 CYS SG : rot 180:sc= -2.86 USER MOD Single : A 96 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.1!) USER MOD Single : A 98 SER OG : rot -162:sc= -0.446 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 106 SER OG : rot 108:sc= 0.452 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.477 14.400 10.617 1.00 0.00 N ATOM 2 CA GLY A 1 -22.486 14.938 11.511 1.00 0.00 C ATOM 3 C GLY A 1 -22.078 14.845 12.968 1.00 0.00 C ATOM 4 O GLY A 1 -20.890 14.864 13.290 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.280 15.087 9.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.604 14.213 11.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.823 13.514 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.675 15.981 11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.422 14.399 11.364 1.00 0.00 H new ATOM 8 N SER A 2 -23.066 14.746 13.852 1.00 0.00 N ATOM 9 CA SER A 2 -22.804 14.655 15.284 1.00 0.00 C ATOM 10 C SER A 2 -22.669 13.199 15.720 1.00 0.00 C ATOM 11 O SER A 2 -21.757 12.845 16.466 1.00 0.00 O ATOM 12 CB SER A 2 -23.926 15.334 16.073 1.00 0.00 C ATOM 13 OG SER A 2 -25.162 14.669 15.877 1.00 0.00 O ATOM 0 H SER A 2 -24.055 14.727 13.602 1.00 0.00 H new ATOM 0 HA SER A 2 -21.864 15.166 15.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.677 15.340 17.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.016 16.375 15.761 1.00 0.00 H new ATOM 0 HG SER A 2 -25.862 15.121 16.393 1.00 0.00 H new ATOM 19 N SER A 3 -23.586 12.359 15.249 1.00 0.00 N ATOM 20 CA SER A 3 -23.573 10.942 15.593 1.00 0.00 C ATOM 21 C SER A 3 -22.475 10.208 14.828 1.00 0.00 C ATOM 22 O SER A 3 -21.627 9.543 15.423 1.00 0.00 O ATOM 23 CB SER A 3 -24.932 10.310 15.290 1.00 0.00 C ATOM 24 OG SER A 3 -25.975 10.999 15.956 1.00 0.00 O ATOM 0 H SER A 3 -24.347 12.635 14.628 1.00 0.00 H new ATOM 0 HA SER A 3 -23.370 10.854 16.660 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.111 10.324 14.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.927 9.265 15.599 1.00 0.00 H new ATOM 0 HG SER A 3 -26.834 10.576 15.744 1.00 0.00 H new ATOM 30 N GLY A 4 -22.499 10.334 13.505 1.00 0.00 N ATOM 31 CA GLY A 4 -21.502 9.677 12.679 1.00 0.00 C ATOM 32 C GLY A 4 -21.880 9.668 11.212 1.00 0.00 C ATOM 33 O GLY A 4 -22.831 8.996 10.813 1.00 0.00 O ATOM 0 H GLY A 4 -23.191 10.879 12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.544 10.182 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.368 8.651 13.023 1.00 0.00 H new ATOM 37 N SER A 5 -21.134 10.416 10.405 1.00 0.00 N ATOM 38 CA SER A 5 -21.399 10.495 8.974 1.00 0.00 C ATOM 39 C SER A 5 -21.511 9.102 8.364 1.00 0.00 C ATOM 40 O SER A 5 -20.996 8.128 8.914 1.00 0.00 O ATOM 41 CB SER A 5 -20.292 11.284 8.271 1.00 0.00 C ATOM 42 OG SER A 5 -20.674 11.635 6.953 1.00 0.00 O ATOM 0 H SER A 5 -20.341 10.976 10.718 1.00 0.00 H new ATOM 0 HA SER A 5 -22.349 11.011 8.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.067 12.186 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.379 10.689 8.242 1.00 0.00 H new ATOM 0 HG SER A 5 -19.950 12.140 6.526 1.00 0.00 H new ATOM 48 N SER A 6 -22.187 9.014 7.223 1.00 0.00 N ATOM 49 CA SER A 6 -22.371 7.740 6.538 1.00 0.00 C ATOM 50 C SER A 6 -21.128 7.371 5.735 1.00 0.00 C ATOM 51 O SER A 6 -20.837 7.978 4.705 1.00 0.00 O ATOM 52 CB SER A 6 -23.589 7.804 5.615 1.00 0.00 C ATOM 53 OG SER A 6 -24.782 7.989 6.357 1.00 0.00 O ATOM 0 H SER A 6 -22.617 9.811 6.753 1.00 0.00 H new ATOM 0 HA SER A 6 -22.537 6.971 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.468 8.622 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.657 6.884 5.034 1.00 0.00 H new ATOM 0 HG SER A 6 -25.546 8.028 5.744 1.00 0.00 H new ATOM 59 N GLY A 7 -20.397 6.368 6.214 1.00 0.00 N ATOM 60 CA GLY A 7 -19.193 5.935 5.529 1.00 0.00 C ATOM 61 C GLY A 7 -18.420 4.896 6.317 1.00 0.00 C ATOM 62 O GLY A 7 -17.345 5.180 6.846 1.00 0.00 O ATOM 0 H GLY A 7 -20.617 5.848 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.460 5.524 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.553 6.798 5.345 1.00 0.00 H new ATOM 66 N THR A 8 -18.968 3.687 6.397 1.00 0.00 N ATOM 67 CA THR A 8 -18.325 2.604 7.129 1.00 0.00 C ATOM 68 C THR A 8 -18.519 1.269 6.418 1.00 0.00 C ATOM 69 O THR A 8 -19.452 1.103 5.633 1.00 0.00 O ATOM 70 CB THR A 8 -18.872 2.492 8.564 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.294 2.329 8.535 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.514 3.727 9.377 1.00 0.00 C ATOM 0 H THR A 8 -19.856 3.434 5.963 1.00 0.00 H new ATOM 0 HA THR A 8 -17.262 2.840 7.171 1.00 0.00 H new ATOM 0 HB THR A 8 -18.417 1.621 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.634 2.257 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.911 3.625 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.430 3.831 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.944 4.610 8.905 1.00 0.00 H new ATOM 80 N ALA A 9 -17.632 0.320 6.698 1.00 0.00 N ATOM 81 CA ALA A 9 -17.708 -1.001 6.087 1.00 0.00 C ATOM 82 C ALA A 9 -17.013 -2.047 6.953 1.00 0.00 C ATOM 83 O ALA A 9 -16.310 -1.710 7.905 1.00 0.00 O ATOM 84 CB ALA A 9 -17.096 -0.975 4.694 1.00 0.00 C ATOM 0 H ALA A 9 -16.852 0.442 7.344 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.760 -1.276 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.160 -1.968 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.639 -0.264 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.050 -0.674 4.761 1.00 0.00 H new ATOM 90 N ARG A 10 -17.216 -3.317 6.615 1.00 0.00 N ATOM 91 CA ARG A 10 -16.610 -4.412 7.363 1.00 0.00 C ATOM 92 C ARG A 10 -15.502 -5.077 6.551 1.00 0.00 C ATOM 93 O ARG A 10 -15.517 -5.047 5.320 1.00 0.00 O ATOM 94 CB ARG A 10 -17.670 -5.446 7.743 1.00 0.00 C ATOM 95 CG ARG A 10 -18.600 -4.986 8.854 1.00 0.00 C ATOM 96 CD ARG A 10 -19.063 -6.153 9.712 1.00 0.00 C ATOM 97 NE ARG A 10 -19.685 -5.705 10.955 1.00 0.00 N ATOM 98 CZ ARG A 10 -20.965 -5.362 11.055 1.00 0.00 C ATOM 99 NH1 ARG A 10 -21.754 -5.416 9.990 1.00 0.00 N ATOM 100 NH2 ARG A 10 -21.458 -4.965 12.221 1.00 0.00 N ATOM 0 H ARG A 10 -17.795 -3.612 5.829 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.173 -4.000 8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.263 -5.687 6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.174 -6.365 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.088 -4.254 9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.466 -4.485 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.773 -6.758 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.212 -6.793 9.943 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.105 -5.652 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -21.379 -5.721 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.736 -5.152 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.854 -4.923 13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.441 -4.702 12.296 1.00 0.00 H new ATOM 114 N LEU A 11 -14.543 -5.676 7.249 1.00 0.00 N ATOM 115 CA LEU A 11 -13.427 -6.349 6.593 1.00 0.00 C ATOM 116 C LEU A 11 -13.833 -7.741 6.120 1.00 0.00 C ATOM 117 O LEU A 11 -14.352 -8.546 6.894 1.00 0.00 O ATOM 118 CB LEU A 11 -12.236 -6.450 7.547 1.00 0.00 C ATOM 119 CG LEU A 11 -10.959 -7.056 6.964 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.577 -6.354 5.670 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.821 -6.975 7.972 1.00 0.00 C ATOM 0 H LEU A 11 -14.516 -5.709 8.268 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.139 -5.759 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.005 -5.450 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.536 -7.045 8.409 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.147 -8.106 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.666 -6.799 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.383 -6.464 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.408 -5.295 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.920 -7.411 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.633 -5.932 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.093 -7.524 8.873 1.00 0.00 H new ATOM 133 N VAL A 12 -13.591 -8.020 4.843 1.00 0.00 N ATOM 134 CA VAL A 12 -13.928 -9.317 4.266 1.00 0.00 C ATOM 135 C VAL A 12 -12.676 -10.151 4.022 1.00 0.00 C ATOM 136 O VAL A 12 -12.725 -11.381 4.038 1.00 0.00 O ATOM 137 CB VAL A 12 -14.694 -9.159 2.939 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.065 -10.520 2.372 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.932 -8.298 3.138 1.00 0.00 C ATOM 0 H VAL A 12 -13.163 -7.366 4.188 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.567 -9.828 4.986 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.044 -8.659 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.606 -10.389 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.159 -11.098 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.697 -11.051 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.461 -8.197 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.588 -8.767 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.636 -7.312 3.495 1.00 0.00 H new ATOM 149 N ALA A 13 -11.555 -9.475 3.796 1.00 0.00 N ATOM 150 CA ALA A 13 -10.289 -10.154 3.551 1.00 0.00 C ATOM 151 C ALA A 13 -9.107 -9.235 3.843 1.00 0.00 C ATOM 152 O ALA A 13 -8.809 -8.326 3.070 1.00 0.00 O ATOM 153 CB ALA A 13 -10.228 -10.655 2.116 1.00 0.00 C ATOM 0 H ALA A 13 -11.498 -8.457 3.777 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.227 -11.008 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.277 -11.160 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.046 -11.353 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.317 -9.811 1.432 1.00 0.00 H new ATOM 159 N GLY A 14 -8.437 -9.478 4.966 1.00 0.00 N ATOM 160 CA GLY A 14 -7.296 -8.663 5.340 1.00 0.00 C ATOM 161 C GLY A 14 -6.195 -8.694 4.299 1.00 0.00 C ATOM 162 O GLY A 14 -6.196 -9.545 3.409 1.00 0.00 O ATOM 0 H GLY A 14 -8.664 -10.224 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.622 -7.634 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.900 -9.013 6.293 1.00 0.00 H new ATOM 166 N LEU A 15 -5.255 -7.762 4.407 1.00 0.00 N ATOM 167 CA LEU A 15 -4.143 -7.685 3.466 1.00 0.00 C ATOM 168 C LEU A 15 -3.386 -9.007 3.408 1.00 0.00 C ATOM 169 O LEU A 15 -3.760 -9.977 4.066 1.00 0.00 O ATOM 170 CB LEU A 15 -3.190 -6.556 3.864 1.00 0.00 C ATOM 171 CG LEU A 15 -3.688 -5.134 3.604 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.903 -4.907 2.116 1.00 0.00 C ATOM 173 CD2 LEU A 15 -4.973 -4.869 4.376 1.00 0.00 C ATOM 0 H LEU A 15 -5.240 -7.049 5.136 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.550 -7.477 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.968 -6.653 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.251 -6.694 3.328 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.927 -4.435 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.257 -3.890 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.962 -5.054 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.644 -5.614 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.313 -3.852 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.740 -5.576 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.788 -4.989 5.443 1.00 0.00 H new ATOM 185 N GLU A 16 -2.318 -9.038 2.616 1.00 0.00 N ATOM 186 CA GLU A 16 -1.508 -10.242 2.473 1.00 0.00 C ATOM 187 C GLU A 16 -0.024 -9.894 2.406 1.00 0.00 C ATOM 188 O GLU A 16 0.392 -9.049 1.613 1.00 0.00 O ATOM 189 CB GLU A 16 -1.919 -11.014 1.217 1.00 0.00 C ATOM 190 CG GLU A 16 -3.401 -11.346 1.165 1.00 0.00 C ATOM 191 CD GLU A 16 -3.801 -12.026 -0.130 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.401 -11.535 -1.206 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.514 -13.050 -0.066 1.00 0.00 O ATOM 0 H GLU A 16 -1.994 -8.244 2.064 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.678 -10.869 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.656 -10.427 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.346 -11.940 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.654 -11.994 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.979 -10.430 1.284 1.00 0.00 H new ATOM 200 N ASP A 17 0.770 -10.552 3.244 1.00 0.00 N ATOM 201 CA ASP A 17 2.209 -10.313 3.281 1.00 0.00 C ATOM 202 C ASP A 17 2.842 -10.600 1.923 1.00 0.00 C ATOM 203 O ASP A 17 2.326 -11.400 1.142 1.00 0.00 O ATOM 204 CB ASP A 17 2.864 -11.182 4.356 1.00 0.00 C ATOM 205 CG ASP A 17 2.716 -12.664 4.072 1.00 0.00 C ATOM 206 OD1 ASP A 17 3.405 -13.164 3.159 1.00 0.00 O ATOM 207 OD2 ASP A 17 1.912 -13.323 4.764 1.00 0.00 O ATOM 0 H ASP A 17 0.442 -11.255 3.907 1.00 0.00 H new ATOM 0 HA ASP A 17 2.372 -9.263 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.923 -10.932 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.418 -10.954 5.324 1.00 0.00 H new ATOM 212 N VAL A 18 3.962 -9.940 1.647 1.00 0.00 N ATOM 213 CA VAL A 18 4.666 -10.123 0.383 1.00 0.00 C ATOM 214 C VAL A 18 6.172 -9.974 0.566 1.00 0.00 C ATOM 215 O VAL A 18 6.631 -9.286 1.477 1.00 0.00 O ATOM 216 CB VAL A 18 4.187 -9.114 -0.678 1.00 0.00 C ATOM 217 CG1 VAL A 18 5.040 -9.213 -1.933 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.718 -9.340 -1.002 1.00 0.00 C ATOM 0 H VAL A 18 4.402 -9.274 2.282 1.00 0.00 H new ATOM 0 HA VAL A 18 4.443 -11.133 0.040 1.00 0.00 H new ATOM 0 HB VAL A 18 4.296 -8.108 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.687 -8.493 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.079 -8.998 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.966 -10.220 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.396 -8.619 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.582 -10.350 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.122 -9.213 -0.098 1.00 0.00 H new ATOM 228 N GLN A 19 6.936 -10.625 -0.306 1.00 0.00 N ATOM 229 CA GLN A 19 8.391 -10.565 -0.239 1.00 0.00 C ATOM 230 C GLN A 19 9.004 -10.671 -1.632 1.00 0.00 C ATOM 231 O GLN A 19 8.768 -11.640 -2.353 1.00 0.00 O ATOM 232 CB GLN A 19 8.928 -11.685 0.654 1.00 0.00 C ATOM 233 CG GLN A 19 9.107 -13.009 -0.071 1.00 0.00 C ATOM 234 CD GLN A 19 9.479 -14.142 0.865 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.621 -14.913 1.297 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.763 -14.248 1.184 1.00 0.00 N ATOM 0 H GLN A 19 6.572 -11.199 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 19 8.671 -9.603 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.886 -11.377 1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.246 -11.829 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.183 -13.261 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.882 -12.901 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.440 -13.587 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.073 -14.991 1.811 1.00 0.00 H new ATOM 245 N VAL A 20 9.792 -9.667 -2.004 1.00 0.00 N ATOM 246 CA VAL A 20 10.440 -9.648 -3.310 1.00 0.00 C ATOM 247 C VAL A 20 11.848 -9.071 -3.216 1.00 0.00 C ATOM 248 O VAL A 20 12.181 -8.369 -2.261 1.00 0.00 O ATOM 249 CB VAL A 20 9.627 -8.826 -4.327 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.231 -9.407 -4.491 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.559 -7.367 -3.900 1.00 0.00 C ATOM 0 H VAL A 20 9.997 -8.857 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 20 10.496 -10.682 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 20 10.130 -8.876 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.672 -8.812 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.304 -10.435 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.715 -9.391 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.981 -6.801 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.080 -7.296 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.568 -6.958 -3.840 1.00 0.00 H new ATOM 261 N TYR A 21 12.672 -9.371 -4.214 1.00 0.00 N ATOM 262 CA TYR A 21 14.046 -8.884 -4.244 1.00 0.00 C ATOM 263 C TYR A 21 14.093 -7.409 -4.632 1.00 0.00 C ATOM 264 O TYR A 21 13.109 -6.852 -5.121 1.00 0.00 O ATOM 265 CB TYR A 21 14.880 -9.708 -5.226 1.00 0.00 C ATOM 266 CG TYR A 21 15.434 -10.982 -4.629 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.650 -11.789 -3.814 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.742 -11.378 -4.880 1.00 0.00 C ATOM 269 CE1 TYR A 21 15.152 -12.953 -3.266 1.00 0.00 C ATOM 270 CE2 TYR A 21 17.252 -12.542 -4.338 1.00 0.00 C ATOM 271 CZ TYR A 21 16.453 -13.326 -3.531 1.00 0.00 C ATOM 272 OH TYR A 21 16.958 -14.485 -2.988 1.00 0.00 O ATOM 0 H TYR A 21 12.412 -9.949 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 21 14.464 -8.991 -3.243 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.265 -9.959 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.707 -9.097 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.630 -11.501 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.371 -10.766 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.529 -13.568 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 21 18.270 -12.837 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 21 17.888 -14.602 -3.274 1.00 0.00 H new ATOM 282 N ASP A 22 15.243 -6.782 -4.410 1.00 0.00 N ATOM 283 CA ASP A 22 15.421 -5.372 -4.738 1.00 0.00 C ATOM 284 C ASP A 22 14.967 -5.085 -6.165 1.00 0.00 C ATOM 285 O ASP A 22 15.119 -5.920 -7.056 1.00 0.00 O ATOM 286 CB ASP A 22 16.885 -4.967 -4.563 1.00 0.00 C ATOM 287 CG ASP A 22 17.796 -5.640 -5.571 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.730 -6.881 -5.694 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.576 -4.926 -6.236 1.00 0.00 O ATOM 0 H ASP A 22 16.066 -7.228 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 22 14.806 -4.785 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.974 -3.885 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.212 -5.222 -3.555 1.00 0.00 H new ATOM 294 N GLY A 23 14.408 -3.896 -6.375 1.00 0.00 N ATOM 295 CA GLY A 23 13.939 -3.520 -7.696 1.00 0.00 C ATOM 296 C GLY A 23 12.588 -4.123 -8.026 1.00 0.00 C ATOM 297 O GLY A 23 11.738 -3.466 -8.625 1.00 0.00 O ATOM 0 H GLY A 23 14.272 -3.187 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.874 -2.434 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.668 -3.839 -8.441 1.00 0.00 H new ATOM 301 N GLU A 24 12.391 -5.379 -7.635 1.00 0.00 N ATOM 302 CA GLU A 24 11.134 -6.070 -7.896 1.00 0.00 C ATOM 303 C GLU A 24 9.943 -5.206 -7.489 1.00 0.00 C ATOM 304 O GLU A 24 10.112 -4.100 -6.976 1.00 0.00 O ATOM 305 CB GLU A 24 11.093 -7.401 -7.142 1.00 0.00 C ATOM 306 CG GLU A 24 12.244 -8.332 -7.487 1.00 0.00 C ATOM 307 CD GLU A 24 12.315 -8.647 -8.969 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.500 -9.467 -9.442 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.185 -8.072 -9.656 1.00 0.00 O ATOM 0 H GLU A 24 13.085 -5.937 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 24 11.071 -6.264 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.106 -7.202 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.151 -7.904 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.182 -7.876 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.136 -9.261 -6.927 1.00 0.00 H new ATOM 316 N ASP A 25 8.741 -5.720 -7.724 1.00 0.00 N ATOM 317 CA ASP A 25 7.521 -4.996 -7.383 1.00 0.00 C ATOM 318 C ASP A 25 6.658 -5.810 -6.423 1.00 0.00 C ATOM 319 O ASP A 25 6.516 -7.022 -6.576 1.00 0.00 O ATOM 320 CB ASP A 25 6.727 -4.667 -8.648 1.00 0.00 C ATOM 321 CG ASP A 25 6.799 -5.773 -9.681 1.00 0.00 C ATOM 322 OD1 ASP A 25 6.755 -6.958 -9.286 1.00 0.00 O ATOM 323 OD2 ASP A 25 6.897 -5.456 -10.884 1.00 0.00 O ATOM 0 H ASP A 25 8.585 -6.634 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 25 7.805 -4.066 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.685 -4.489 -8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.108 -3.743 -9.082 1.00 0.00 H new ATOM 328 N ALA A 26 6.084 -5.133 -5.433 1.00 0.00 N ATOM 329 CA ALA A 26 5.234 -5.792 -4.449 1.00 0.00 C ATOM 330 C ALA A 26 3.759 -5.622 -4.796 1.00 0.00 C ATOM 331 O ALA A 26 3.383 -4.699 -5.518 1.00 0.00 O ATOM 332 CB ALA A 26 5.517 -5.247 -3.057 1.00 0.00 C ATOM 0 H ALA A 26 6.192 -4.129 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 26 5.463 -6.858 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.875 -5.748 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.561 -5.426 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.318 -4.176 -3.038 1.00 0.00 H new ATOM 338 N VAL A 27 2.927 -6.520 -4.278 1.00 0.00 N ATOM 339 CA VAL A 27 1.492 -6.469 -4.533 1.00 0.00 C ATOM 340 C VAL A 27 0.699 -6.646 -3.244 1.00 0.00 C ATOM 341 O VAL A 27 0.994 -7.526 -2.436 1.00 0.00 O ATOM 342 CB VAL A 27 1.063 -7.552 -5.540 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.435 -7.478 -5.798 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.843 -7.412 -6.838 1.00 0.00 C ATOM 0 H VAL A 27 3.222 -7.291 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 27 1.279 -5.487 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 27 1.286 -8.530 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.720 -8.251 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.973 -7.632 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.686 -6.498 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.527 -8.186 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.654 -6.430 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.909 -7.520 -6.636 1.00 0.00 H new ATOM 354 N PHE A 28 -0.312 -5.803 -3.057 1.00 0.00 N ATOM 355 CA PHE A 28 -1.150 -5.866 -1.865 1.00 0.00 C ATOM 356 C PHE A 28 -2.596 -5.513 -2.198 1.00 0.00 C ATOM 357 O PHE A 28 -2.861 -4.566 -2.938 1.00 0.00 O ATOM 358 CB PHE A 28 -0.615 -4.916 -0.791 1.00 0.00 C ATOM 359 CG PHE A 28 0.717 -5.330 -0.234 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.822 -6.432 0.600 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.864 -4.617 -0.544 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.046 -6.815 1.114 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.091 -4.997 -0.033 1.00 0.00 C ATOM 364 CZ PHE A 28 3.182 -6.096 0.798 1.00 0.00 C ATOM 0 H PHE A 28 -0.571 -5.068 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.123 -6.887 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.528 -3.915 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.338 -4.857 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.063 -6.998 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.799 -3.755 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.114 -7.676 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.978 -4.434 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.139 -6.393 1.200 1.00 0.00 H new ATOM 374 N SER A 29 -3.529 -6.282 -1.645 1.00 0.00 N ATOM 375 CA SER A 29 -4.949 -6.055 -1.886 1.00 0.00 C ATOM 376 C SER A 29 -5.795 -6.688 -0.786 1.00 0.00 C ATOM 377 O SER A 29 -5.368 -7.637 -0.127 1.00 0.00 O ATOM 378 CB SER A 29 -5.354 -6.623 -3.248 1.00 0.00 C ATOM 379 OG SER A 29 -4.795 -7.909 -3.451 1.00 0.00 O ATOM 0 H SER A 29 -3.327 -7.068 -1.027 1.00 0.00 H new ATOM 0 HA SER A 29 -5.126 -4.979 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.441 -6.681 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.023 -5.950 -4.039 1.00 0.00 H new ATOM 0 HG SER A 29 -5.070 -8.251 -4.327 1.00 0.00 H new ATOM 385 N LEU A 30 -6.997 -6.157 -0.593 1.00 0.00 N ATOM 386 CA LEU A 30 -7.905 -6.669 0.428 1.00 0.00 C ATOM 387 C LEU A 30 -9.341 -6.696 -0.086 1.00 0.00 C ATOM 388 O LEU A 30 -9.634 -6.189 -1.168 1.00 0.00 O ATOM 389 CB LEU A 30 -7.819 -5.812 1.692 1.00 0.00 C ATOM 390 CG LEU A 30 -7.944 -4.302 1.488 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.396 -3.866 1.603 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.080 -3.555 2.494 1.00 0.00 C ATOM 0 H LEU A 30 -7.366 -5.372 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.605 -7.689 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.603 -6.132 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.866 -6.015 2.180 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.592 -4.060 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.465 -2.788 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.990 -4.375 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.775 -4.121 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.181 -2.482 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.402 -3.803 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.037 -3.844 2.364 1.00 0.00 H new ATOM 404 N ASP A 31 -10.233 -7.290 0.700 1.00 0.00 N ATOM 405 CA ASP A 31 -11.640 -7.380 0.327 1.00 0.00 C ATOM 406 C ASP A 31 -12.527 -6.743 1.392 1.00 0.00 C ATOM 407 O ASP A 31 -12.215 -6.789 2.583 1.00 0.00 O ATOM 408 CB ASP A 31 -12.042 -8.841 0.118 1.00 0.00 C ATOM 409 CG ASP A 31 -11.176 -9.537 -0.914 1.00 0.00 C ATOM 410 OD1 ASP A 31 -9.969 -9.225 -0.984 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.706 -10.394 -1.652 1.00 0.00 O ATOM 0 H ASP A 31 -10.007 -7.716 1.599 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.778 -6.836 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.971 -9.374 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.085 -8.887 -0.196 1.00 0.00 H new ATOM 416 N LEU A 32 -13.632 -6.149 0.957 1.00 0.00 N ATOM 417 CA LEU A 32 -14.565 -5.501 1.873 1.00 0.00 C ATOM 418 C LEU A 32 -16.001 -5.918 1.573 1.00 0.00 C ATOM 419 O LEU A 32 -16.307 -6.378 0.473 1.00 0.00 O ATOM 420 CB LEU A 32 -14.432 -3.981 1.776 1.00 0.00 C ATOM 421 CG LEU A 32 -13.014 -3.422 1.897 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.039 -1.901 1.914 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.333 -3.960 3.148 1.00 0.00 C ATOM 0 H LEU A 32 -13.905 -6.102 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.319 -5.817 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.847 -3.660 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.046 -3.532 2.557 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.441 -3.746 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.021 -1.521 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.486 -1.534 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.628 -1.556 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.325 -3.552 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.905 -3.667 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.281 -5.047 3.095 1.00 0.00 H new ATOM 435 N SER A 33 -16.878 -5.751 2.557 1.00 0.00 N ATOM 436 CA SER A 33 -18.282 -6.111 2.399 1.00 0.00 C ATOM 437 C SER A 33 -19.013 -5.084 1.541 1.00 0.00 C ATOM 438 O SER A 33 -19.969 -5.411 0.837 1.00 0.00 O ATOM 439 CB SER A 33 -18.959 -6.224 3.767 1.00 0.00 C ATOM 440 OG SER A 33 -20.283 -6.711 3.642 1.00 0.00 O ATOM 0 H SER A 33 -16.641 -5.369 3.472 1.00 0.00 H new ATOM 0 HA SER A 33 -18.329 -7.077 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.382 -6.891 4.408 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.972 -5.248 4.252 1.00 0.00 H new ATOM 0 HG SER A 33 -20.693 -6.775 4.530 1.00 0.00 H new ATOM 446 N THR A 34 -18.557 -3.836 1.605 1.00 0.00 N ATOM 447 CA THR A 34 -19.167 -2.759 0.836 1.00 0.00 C ATOM 448 C THR A 34 -18.124 -1.736 0.400 1.00 0.00 C ATOM 449 O THR A 34 -16.963 -1.810 0.803 1.00 0.00 O ATOM 450 CB THR A 34 -20.265 -2.043 1.644 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.001 -1.157 0.794 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.663 -1.261 2.801 1.00 0.00 C ATOM 0 H THR A 34 -17.767 -3.547 2.182 1.00 0.00 H new ATOM 0 HA THR A 34 -19.615 -3.216 -0.046 1.00 0.00 H new ATOM 0 HB THR A 34 -20.938 -2.799 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.698 -0.707 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.458 -0.764 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.129 -1.943 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.970 -0.514 2.414 1.00 0.00 H new ATOM 460 N ILE A 35 -18.546 -0.782 -0.424 1.00 0.00 N ATOM 461 CA ILE A 35 -17.648 0.257 -0.912 1.00 0.00 C ATOM 462 C ILE A 35 -17.295 1.243 0.196 1.00 0.00 C ATOM 463 O ILE A 35 -18.178 1.793 0.856 1.00 0.00 O ATOM 464 CB ILE A 35 -18.268 1.028 -2.092 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.825 0.052 -3.131 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.235 1.949 -2.724 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.447 0.735 -4.329 1.00 0.00 C ATOM 0 H ILE A 35 -19.504 -0.708 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.741 -0.243 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.089 1.638 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.021 -0.601 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.573 -0.584 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.688 2.487 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.881 2.663 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.395 1.358 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.820 -0.017 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.272 1.366 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -18.697 1.349 -4.828 1.00 0.00 H new ATOM 479 N ILE A 36 -16.000 1.464 0.394 1.00 0.00 N ATOM 480 CA ILE A 36 -15.530 2.387 1.419 1.00 0.00 C ATOM 481 C ILE A 36 -14.277 3.126 0.962 1.00 0.00 C ATOM 482 O ILE A 36 -13.490 2.603 0.175 1.00 0.00 O ATOM 483 CB ILE A 36 -15.228 1.654 2.740 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.096 2.658 3.887 1.00 0.00 C ATOM 485 CG2 ILE A 36 -13.959 0.825 2.607 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.366 2.058 5.249 1.00 0.00 C ATOM 0 H ILE A 36 -15.257 1.016 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.331 3.107 1.587 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.057 0.982 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.090 3.079 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.788 3.483 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.759 0.313 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.087 0.089 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.121 1.479 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.254 2.827 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.381 1.662 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.657 1.252 5.439 1.00 0.00 H new ATOM 498 N GLN A 37 -14.099 4.344 1.464 1.00 0.00 N ATOM 499 CA GLN A 37 -12.940 5.154 1.108 1.00 0.00 C ATOM 500 C GLN A 37 -11.967 5.256 2.277 1.00 0.00 C ATOM 501 O GLN A 37 -12.225 5.960 3.253 1.00 0.00 O ATOM 502 CB GLN A 37 -13.383 6.552 0.674 1.00 0.00 C ATOM 503 CG GLN A 37 -12.229 7.467 0.298 1.00 0.00 C ATOM 504 CD GLN A 37 -12.613 8.933 0.327 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.500 9.340 1.078 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.945 9.736 -0.493 1.00 0.00 N ATOM 0 H GLN A 37 -14.742 4.791 2.118 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.430 4.668 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.057 6.462 -0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.951 7.011 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.399 7.299 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.875 7.208 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.217 9.356 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.159 10.733 -0.517 1.00 0.00 H new ATOM 515 N GLY A 38 -10.847 4.548 2.173 1.00 0.00 N ATOM 516 CA GLY A 38 -9.852 4.572 3.229 1.00 0.00 C ATOM 517 C GLY A 38 -8.545 5.194 2.780 1.00 0.00 C ATOM 518 O GLY A 38 -8.484 5.848 1.738 1.00 0.00 O ATOM 0 H GLY A 38 -10.611 3.958 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.243 5.130 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.667 3.554 3.573 1.00 0.00 H new ATOM 522 N THR A 39 -7.494 4.994 3.569 1.00 0.00 N ATOM 523 CA THR A 39 -6.182 5.542 3.249 1.00 0.00 C ATOM 524 C THR A 39 -5.089 4.495 3.431 1.00 0.00 C ATOM 525 O THR A 39 -5.034 3.812 4.454 1.00 0.00 O ATOM 526 CB THR A 39 -5.855 6.766 4.125 1.00 0.00 C ATOM 527 OG1 THR A 39 -6.688 7.870 3.755 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.392 7.158 3.984 1.00 0.00 C ATOM 0 H THR A 39 -7.526 4.456 4.435 1.00 0.00 H new ATOM 0 HA THR A 39 -6.215 5.851 2.204 1.00 0.00 H new ATOM 0 HB THR A 39 -6.045 6.501 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.475 8.644 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.185 8.025 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.761 6.326 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.180 7.405 2.944 1.00 0.00 H new ATOM 536 N TRP A 40 -4.221 4.373 2.434 1.00 0.00 N ATOM 537 CA TRP A 40 -3.128 3.408 2.485 1.00 0.00 C ATOM 538 C TRP A 40 -1.958 3.953 3.297 1.00 0.00 C ATOM 539 O TRP A 40 -1.596 5.124 3.174 1.00 0.00 O ATOM 540 CB TRP A 40 -2.663 3.058 1.071 1.00 0.00 C ATOM 541 CG TRP A 40 -3.605 2.145 0.345 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.559 2.506 -0.563 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.684 0.721 0.469 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.227 1.391 -1.011 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.708 0.284 -0.394 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.989 -0.228 1.223 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -5.052 -1.060 -0.521 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.331 -1.561 1.097 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.354 -1.967 0.230 1.00 0.00 C ATOM 0 H TRP A 40 -4.252 4.930 1.580 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.496 2.506 2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.545 3.977 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.681 2.587 1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.759 3.518 -0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.986 1.389 -1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.198 0.075 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.841 -1.375 -1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.801 -2.302 1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.597 -3.017 0.153 1.00 0.00 H new ATOM 560 N PHE A 41 -1.370 3.098 4.127 1.00 0.00 N ATOM 561 CA PHE A 41 -0.241 3.495 4.960 1.00 0.00 C ATOM 562 C PHE A 41 0.987 2.644 4.653 1.00 0.00 C ATOM 563 O PHE A 41 0.870 1.503 4.204 1.00 0.00 O ATOM 564 CB PHE A 41 -0.604 3.370 6.441 1.00 0.00 C ATOM 565 CG PHE A 41 -1.382 4.542 6.969 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.676 4.783 6.535 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.820 5.401 7.899 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.394 5.861 7.018 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.533 6.481 8.386 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.822 6.710 7.946 1.00 0.00 C ATOM 0 H PHE A 41 -1.657 2.126 4.241 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.005 4.536 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.187 2.461 6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.311 3.260 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.128 4.121 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.187 5.225 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.401 6.039 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.083 7.145 9.109 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.382 7.551 8.327 1.00 0.00 H new ATOM 580 N LEU A 42 2.166 3.208 4.896 1.00 0.00 N ATOM 581 CA LEU A 42 3.417 2.502 4.645 1.00 0.00 C ATOM 582 C LEU A 42 4.464 2.859 5.695 1.00 0.00 C ATOM 583 O LEU A 42 4.760 4.032 5.917 1.00 0.00 O ATOM 584 CB LEU A 42 3.944 2.839 3.249 1.00 0.00 C ATOM 585 CG LEU A 42 4.762 1.746 2.558 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.567 1.806 1.051 1.00 0.00 C ATOM 587 CD2 LEU A 42 6.236 1.878 2.913 1.00 0.00 C ATOM 0 H LEU A 42 2.281 4.151 5.266 1.00 0.00 H new ATOM 0 HA LEU A 42 3.220 1.432 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.095 3.087 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.560 3.735 3.322 1.00 0.00 H new ATOM 0 HG LEU A 42 4.409 0.777 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.156 1.021 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.513 1.661 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.892 2.778 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.802 1.093 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.602 2.852 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.360 1.784 3.992 1.00 0.00 H new ATOM 599 N ASN A 43 5.022 1.838 6.338 1.00 0.00 N ATOM 600 CA ASN A 43 6.037 2.045 7.365 1.00 0.00 C ATOM 601 C ASN A 43 5.514 2.955 8.472 1.00 0.00 C ATOM 602 O ASN A 43 6.269 3.723 9.067 1.00 0.00 O ATOM 603 CB ASN A 43 7.301 2.647 6.748 1.00 0.00 C ATOM 604 CG ASN A 43 8.197 1.595 6.123 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.681 0.692 6.804 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.421 1.709 4.819 1.00 0.00 N ATOM 0 H ASN A 43 4.789 0.860 6.166 1.00 0.00 H new ATOM 0 HA ASN A 43 6.280 1.076 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.019 3.377 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.857 3.184 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.016 1.031 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.998 2.475 4.294 1.00 0.00 H new ATOM 613 N GLY A 44 4.216 2.863 8.743 1.00 0.00 N ATOM 614 CA GLY A 44 3.614 3.683 9.778 1.00 0.00 C ATOM 615 C GLY A 44 3.176 5.040 9.261 1.00 0.00 C ATOM 616 O GLY A 44 2.345 5.706 9.877 1.00 0.00 O ATOM 0 H GLY A 44 3.570 2.235 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.753 3.161 10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.328 3.820 10.590 1.00 0.00 H new ATOM 620 N GLU A 45 3.738 5.449 8.128 1.00 0.00 N ATOM 621 CA GLU A 45 3.401 6.736 7.531 1.00 0.00 C ATOM 622 C GLU A 45 2.146 6.626 6.671 1.00 0.00 C ATOM 623 O GLU A 45 1.570 5.547 6.532 1.00 0.00 O ATOM 624 CB GLU A 45 4.568 7.252 6.687 1.00 0.00 C ATOM 625 CG GLU A 45 4.484 6.852 5.223 1.00 0.00 C ATOM 626 CD GLU A 45 5.849 6.678 4.587 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.743 6.108 5.246 1.00 0.00 O ATOM 628 OE2 GLU A 45 6.022 7.111 3.428 1.00 0.00 O ATOM 0 H GLU A 45 4.428 4.909 7.606 1.00 0.00 H new ATOM 0 HA GLU A 45 3.205 7.442 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.603 8.339 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.502 6.876 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.925 5.920 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.926 7.611 4.674 1.00 0.00 H new ATOM 635 N GLU A 46 1.728 7.750 6.096 1.00 0.00 N ATOM 636 CA GLU A 46 0.541 7.779 5.251 1.00 0.00 C ATOM 637 C GLU A 46 0.916 8.035 3.794 1.00 0.00 C ATOM 638 O GLU A 46 1.947 8.643 3.504 1.00 0.00 O ATOM 639 CB GLU A 46 -0.431 8.857 5.736 1.00 0.00 C ATOM 640 CG GLU A 46 -1.422 9.305 4.674 1.00 0.00 C ATOM 641 CD GLU A 46 -2.358 10.390 5.171 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.656 10.405 6.383 1.00 0.00 O ATOM 643 OE2 GLU A 46 -2.792 11.222 4.347 1.00 0.00 O ATOM 0 H GLU A 46 2.194 8.651 6.200 1.00 0.00 H new ATOM 0 HA GLU A 46 0.055 6.805 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.981 8.478 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.139 9.721 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.876 9.671 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.008 8.447 4.344 1.00 0.00 H new ATOM 650 N LEU A 47 0.073 7.565 2.881 1.00 0.00 N ATOM 651 CA LEU A 47 0.315 7.742 1.454 1.00 0.00 C ATOM 652 C LEU A 47 -0.716 8.683 0.839 1.00 0.00 C ATOM 653 O LEU A 47 -1.917 8.414 0.872 1.00 0.00 O ATOM 654 CB LEU A 47 0.277 6.390 0.739 1.00 0.00 C ATOM 655 CG LEU A 47 1.431 5.435 1.048 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.098 4.026 0.582 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.717 5.924 0.398 1.00 0.00 C ATOM 0 H LEU A 47 -0.784 7.059 3.104 1.00 0.00 H new ATOM 0 HA LEU A 47 1.303 8.185 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.658 5.892 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.259 6.570 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 47 1.579 5.413 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.931 3.361 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.202 3.675 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.922 4.031 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.527 5.232 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.581 5.977 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.965 6.914 0.781 1.00 0.00 H new ATOM 669 N LYS A 48 -0.239 9.788 0.276 1.00 0.00 N ATOM 670 CA LYS A 48 -1.117 10.769 -0.350 1.00 0.00 C ATOM 671 C LYS A 48 -1.374 10.415 -1.812 1.00 0.00 C ATOM 672 O LYS A 48 -0.519 10.625 -2.671 1.00 0.00 O ATOM 673 CB LYS A 48 -0.504 12.168 -0.254 1.00 0.00 C ATOM 674 CG LYS A 48 -0.279 12.637 1.173 1.00 0.00 C ATOM 675 CD LYS A 48 0.739 13.763 1.236 1.00 0.00 C ATOM 676 CE LYS A 48 2.163 13.233 1.156 1.00 0.00 C ATOM 677 NZ LYS A 48 2.584 12.580 2.426 1.00 0.00 N ATOM 0 H LYS A 48 0.752 10.027 0.241 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.069 10.758 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.448 12.175 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.157 12.877 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.224 12.975 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.064 11.801 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.563 14.460 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.609 14.321 2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.239 12.517 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.843 14.053 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.611 12.415 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.346 13.197 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.089 11.671 2.530 1.00 0.00 H new ATOM 691 N SER A 49 -2.559 9.878 -2.086 1.00 0.00 N ATOM 692 CA SER A 49 -2.927 9.492 -3.443 1.00 0.00 C ATOM 693 C SER A 49 -3.096 10.722 -4.330 1.00 0.00 C ATOM 694 O SER A 49 -2.592 10.766 -5.451 1.00 0.00 O ATOM 695 CB SER A 49 -4.222 8.677 -3.430 1.00 0.00 C ATOM 696 OG SER A 49 -4.507 8.152 -4.715 1.00 0.00 O ATOM 0 H SER A 49 -3.280 9.701 -1.387 1.00 0.00 H new ATOM 0 HA SER A 49 -2.124 8.878 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.135 7.862 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.048 9.306 -3.099 1.00 0.00 H new ATOM 0 HG SER A 49 -5.338 7.634 -4.680 1.00 0.00 H new ATOM 702 N ASN A 50 -3.810 11.719 -3.818 1.00 0.00 N ATOM 703 CA ASN A 50 -4.047 12.950 -4.563 1.00 0.00 C ATOM 704 C ASN A 50 -2.766 13.435 -5.235 1.00 0.00 C ATOM 705 O ASN A 50 -2.674 13.477 -6.461 1.00 0.00 O ATOM 706 CB ASN A 50 -4.592 14.037 -3.634 1.00 0.00 C ATOM 707 CG ASN A 50 -5.757 13.549 -2.795 1.00 0.00 C ATOM 708 OD1 ASN A 50 -6.057 12.356 -2.763 1.00 0.00 O ATOM 709 ND2 ASN A 50 -6.421 14.474 -2.111 1.00 0.00 N ATOM 0 H ASN A 50 -4.234 11.699 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.785 12.740 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.794 14.383 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.909 14.894 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.215 14.206 -1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.137 15.452 -2.167 1.00 0.00 H new ATOM 716 N GLU A 51 -1.779 13.800 -4.421 1.00 0.00 N ATOM 717 CA GLU A 51 -0.503 14.281 -4.937 1.00 0.00 C ATOM 718 C GLU A 51 0.653 13.798 -4.067 1.00 0.00 C ATOM 719 O GLU A 51 0.606 13.860 -2.838 1.00 0.00 O ATOM 720 CB GLU A 51 -0.500 15.810 -5.006 1.00 0.00 C ATOM 721 CG GLU A 51 -1.448 16.374 -6.051 1.00 0.00 C ATOM 722 CD GLU A 51 -0.799 16.512 -7.414 1.00 0.00 C ATOM 723 OE1 GLU A 51 0.440 16.660 -7.470 1.00 0.00 O ATOM 724 OE2 GLU A 51 -1.531 16.471 -8.425 1.00 0.00 O ATOM 0 H GLU A 51 -1.839 13.772 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.371 13.878 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.770 16.210 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.512 16.154 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.320 15.726 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.806 17.350 -5.723 1.00 0.00 H new ATOM 731 N PRO A 52 1.717 13.304 -4.717 1.00 0.00 N ATOM 732 CA PRO A 52 2.906 12.801 -4.023 1.00 0.00 C ATOM 733 C PRO A 52 3.706 13.916 -3.360 1.00 0.00 C ATOM 734 O PRO A 52 4.783 13.679 -2.813 1.00 0.00 O ATOM 735 CB PRO A 52 3.721 12.150 -5.143 1.00 0.00 C ATOM 736 CG PRO A 52 3.290 12.854 -6.384 1.00 0.00 C ATOM 737 CD PRO A 52 1.841 13.200 -6.181 1.00 0.00 C ATOM 0 HA PRO A 52 2.647 12.118 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.791 12.267 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.523 11.080 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.886 13.751 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.420 12.218 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.578 14.136 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.184 12.431 -6.586 1.00 0.00 H new ATOM 745 N GLU A 53 3.172 15.133 -3.412 1.00 0.00 N ATOM 746 CA GLU A 53 3.839 16.285 -2.816 1.00 0.00 C ATOM 747 C GLU A 53 3.836 16.187 -1.293 1.00 0.00 C ATOM 748 O GLU A 53 2.931 15.602 -0.700 1.00 0.00 O ATOM 749 CB GLU A 53 3.156 17.581 -3.256 1.00 0.00 C ATOM 750 CG GLU A 53 1.820 17.827 -2.575 1.00 0.00 C ATOM 751 CD GLU A 53 1.430 19.292 -2.566 1.00 0.00 C ATOM 752 OE1 GLU A 53 2.248 20.120 -2.113 1.00 0.00 O ATOM 753 OE2 GLU A 53 0.308 19.611 -3.012 1.00 0.00 O ATOM 0 H GLU A 53 2.281 15.346 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 53 4.873 16.293 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.820 18.420 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.005 17.554 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.046 17.252 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.867 17.461 -1.549 1.00 0.00 H new ATOM 760 N GLY A 54 4.857 16.764 -0.667 1.00 0.00 N ATOM 761 CA GLY A 54 4.955 16.731 0.780 1.00 0.00 C ATOM 762 C GLY A 54 6.382 16.565 1.262 1.00 0.00 C ATOM 763 O GLY A 54 7.111 17.545 1.410 1.00 0.00 O ATOM 0 H GLY A 54 5.618 17.254 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.541 17.652 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.348 15.911 1.163 1.00 0.00 H new ATOM 767 N GLN A 55 6.781 15.321 1.508 1.00 0.00 N ATOM 768 CA GLN A 55 8.131 15.032 1.978 1.00 0.00 C ATOM 769 C GLN A 55 8.951 14.345 0.890 1.00 0.00 C ATOM 770 O GLN A 55 10.117 14.676 0.675 1.00 0.00 O ATOM 771 CB GLN A 55 8.080 14.150 3.227 1.00 0.00 C ATOM 772 CG GLN A 55 7.343 12.838 3.017 1.00 0.00 C ATOM 773 CD GLN A 55 7.441 11.914 4.215 1.00 0.00 C ATOM 774 OE1 GLN A 55 8.508 11.764 4.812 1.00 0.00 O ATOM 775 NE2 GLN A 55 6.326 11.289 4.574 1.00 0.00 N ATOM 0 H GLN A 55 6.190 14.498 1.390 1.00 0.00 H new ATOM 0 HA GLN A 55 8.612 15.978 2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.098 13.937 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.597 14.703 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.293 13.045 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.749 12.334 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.464 11.443 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.331 10.655 5.373 1.00 0.00 H new ATOM 784 N VAL A 56 8.333 13.387 0.207 1.00 0.00 N ATOM 785 CA VAL A 56 9.005 12.655 -0.860 1.00 0.00 C ATOM 786 C VAL A 56 8.899 13.396 -2.188 1.00 0.00 C ATOM 787 O VAL A 56 8.314 14.476 -2.261 1.00 0.00 O ATOM 788 CB VAL A 56 8.419 11.240 -1.025 1.00 0.00 C ATOM 789 CG1 VAL A 56 8.791 10.365 0.162 1.00 0.00 C ATOM 790 CG2 VAL A 56 6.909 11.307 -1.196 1.00 0.00 C ATOM 0 H VAL A 56 7.369 13.100 0.373 1.00 0.00 H new ATOM 0 HA VAL A 56 10.054 12.575 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 56 8.845 10.792 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.368 9.370 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.876 10.291 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.396 10.806 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.511 10.299 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.464 11.775 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.669 11.895 -2.082 1.00 0.00 H new ATOM 800 N GLU A 57 9.467 12.807 -3.235 1.00 0.00 N ATOM 801 CA GLU A 57 9.435 13.412 -4.561 1.00 0.00 C ATOM 802 C GLU A 57 8.699 12.515 -5.552 1.00 0.00 C ATOM 803 O GLU A 57 8.721 11.288 -5.452 1.00 0.00 O ATOM 804 CB GLU A 57 10.857 13.680 -5.058 1.00 0.00 C ATOM 805 CG GLU A 57 11.771 12.469 -4.969 1.00 0.00 C ATOM 806 CD GLU A 57 13.177 12.762 -5.456 1.00 0.00 C ATOM 807 OE1 GLU A 57 13.938 13.416 -4.712 1.00 0.00 O ATOM 808 OE2 GLU A 57 13.516 12.337 -6.580 1.00 0.00 O ATOM 0 H GLU A 57 9.955 11.912 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 57 8.899 14.358 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.813 14.017 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.289 14.494 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.813 12.125 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.348 11.655 -5.559 1.00 0.00 H new ATOM 815 N PRO A 58 8.030 13.140 -6.532 1.00 0.00 N ATOM 816 CA PRO A 58 7.274 12.418 -7.560 1.00 0.00 C ATOM 817 C PRO A 58 8.183 11.666 -8.526 1.00 0.00 C ATOM 818 O PRO A 58 8.486 12.152 -9.615 1.00 0.00 O ATOM 819 CB PRO A 58 6.520 13.531 -8.292 1.00 0.00 C ATOM 820 CG PRO A 58 7.343 14.753 -8.075 1.00 0.00 C ATOM 821 CD PRO A 58 7.961 14.600 -6.713 1.00 0.00 C ATOM 0 HA PRO A 58 6.624 11.656 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.417 13.307 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.513 13.656 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.110 14.848 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.728 15.652 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.949 15.058 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.354 15.072 -5.941 1.00 0.00 H new ATOM 829 N GLY A 59 8.613 10.475 -8.121 1.00 0.00 N ATOM 830 CA GLY A 59 9.482 9.674 -8.963 1.00 0.00 C ATOM 831 C GLY A 59 10.230 8.613 -8.181 1.00 0.00 C ATOM 832 O GLY A 59 10.565 7.557 -8.718 1.00 0.00 O ATOM 0 H GLY A 59 8.375 10.051 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.888 9.196 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.199 10.325 -9.463 1.00 0.00 H new ATOM 836 N ALA A 60 10.495 8.893 -6.910 1.00 0.00 N ATOM 837 CA ALA A 60 11.208 7.955 -6.052 1.00 0.00 C ATOM 838 C ALA A 60 10.389 6.689 -5.824 1.00 0.00 C ATOM 839 O ALA A 60 10.780 5.599 -6.245 1.00 0.00 O ATOM 840 CB ALA A 60 11.553 8.610 -4.723 1.00 0.00 C ATOM 0 H ALA A 60 10.226 9.763 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 60 12.133 7.673 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.085 7.897 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.185 9.480 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.636 8.923 -4.223 1.00 0.00 H new ATOM 846 N LEU A 61 9.252 6.839 -5.153 1.00 0.00 N ATOM 847 CA LEU A 61 8.377 5.707 -4.868 1.00 0.00 C ATOM 848 C LEU A 61 7.213 5.656 -5.852 1.00 0.00 C ATOM 849 O LEU A 61 6.430 6.601 -5.952 1.00 0.00 O ATOM 850 CB LEU A 61 7.845 5.797 -3.436 1.00 0.00 C ATOM 851 CG LEU A 61 6.698 4.848 -3.086 1.00 0.00 C ATOM 852 CD1 LEU A 61 7.235 3.470 -2.732 1.00 0.00 C ATOM 853 CD2 LEU A 61 5.872 5.411 -1.938 1.00 0.00 C ATOM 0 H LEU A 61 8.915 7.733 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 61 8.960 4.793 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.670 5.606 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.512 6.819 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 61 6.053 4.751 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.405 2.808 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.783 3.064 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.903 3.549 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.060 4.723 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.507 5.538 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.457 6.376 -2.228 1.00 0.00 H new ATOM 865 N ARG A 62 7.105 4.547 -6.576 1.00 0.00 N ATOM 866 CA ARG A 62 6.037 4.372 -7.552 1.00 0.00 C ATOM 867 C ARG A 62 4.994 3.380 -7.045 1.00 0.00 C ATOM 868 O ARG A 62 5.277 2.192 -6.891 1.00 0.00 O ATOM 869 CB ARG A 62 6.609 3.890 -8.886 1.00 0.00 C ATOM 870 CG ARG A 62 7.022 5.019 -9.816 1.00 0.00 C ATOM 871 CD ARG A 62 8.060 4.557 -10.827 1.00 0.00 C ATOM 872 NE ARG A 62 8.016 5.346 -12.055 1.00 0.00 N ATOM 873 CZ ARG A 62 8.638 4.996 -13.176 1.00 0.00 C ATOM 874 NH1 ARG A 62 9.347 3.877 -13.223 1.00 0.00 N ATOM 875 NH2 ARG A 62 8.551 5.767 -14.253 1.00 0.00 N ATOM 0 H ARG A 62 7.745 3.756 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 62 5.553 5.337 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.474 3.255 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.865 3.271 -9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.145 5.399 -10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.425 5.845 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.054 4.629 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.892 3.507 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 62 7.479 6.213 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.416 3.282 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.823 3.611 -14.085 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.006 6.629 -14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.029 5.498 -15.113 1.00 0.00 H new ATOM 889 N TYR A 63 3.789 3.876 -6.788 1.00 0.00 N ATOM 890 CA TYR A 63 2.705 3.034 -6.296 1.00 0.00 C ATOM 891 C TYR A 63 1.483 3.134 -7.203 1.00 0.00 C ATOM 892 O TYR A 63 1.291 4.133 -7.898 1.00 0.00 O ATOM 893 CB TYR A 63 2.329 3.434 -4.868 1.00 0.00 C ATOM 894 CG TYR A 63 1.828 4.856 -4.750 1.00 0.00 C ATOM 895 CD1 TYR A 63 0.644 5.250 -5.362 1.00 0.00 C ATOM 896 CD2 TYR A 63 2.538 5.805 -4.024 1.00 0.00 C ATOM 897 CE1 TYR A 63 0.184 6.548 -5.257 1.00 0.00 C ATOM 898 CE2 TYR A 63 2.084 7.105 -3.913 1.00 0.00 C ATOM 899 CZ TYR A 63 0.907 7.472 -4.531 1.00 0.00 C ATOM 900 OH TYR A 63 0.450 8.766 -4.423 1.00 0.00 O ATOM 0 H TYR A 63 3.538 4.857 -6.912 1.00 0.00 H new ATOM 0 HA TYR A 63 3.052 2.001 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.560 2.755 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.199 3.309 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.074 4.529 -5.929 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.460 5.521 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.737 6.838 -5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.648 7.830 -3.345 1.00 0.00 H new ATOM 0 HH TYR A 63 0.235 8.960 -3.487 1.00 0.00 H new ATOM 910 N ARG A 64 0.658 2.092 -7.190 1.00 0.00 N ATOM 911 CA ARG A 64 -0.547 2.061 -8.011 1.00 0.00 C ATOM 912 C ARG A 64 -1.761 1.660 -7.180 1.00 0.00 C ATOM 913 O ARG A 64 -1.883 0.510 -6.757 1.00 0.00 O ATOM 914 CB ARG A 64 -0.369 1.087 -9.178 1.00 0.00 C ATOM 915 CG ARG A 64 -1.586 0.994 -10.084 1.00 0.00 C ATOM 916 CD ARG A 64 -1.202 0.559 -11.489 1.00 0.00 C ATOM 917 NE ARG A 64 -0.547 -0.747 -11.498 1.00 0.00 N ATOM 918 CZ ARG A 64 -0.297 -1.436 -12.606 1.00 0.00 C ATOM 919 NH1 ARG A 64 -0.645 -0.946 -13.788 1.00 0.00 N ATOM 920 NH2 ARG A 64 0.303 -2.617 -12.533 1.00 0.00 N ATOM 0 H ARG A 64 0.802 1.258 -6.620 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.714 3.063 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.492 1.397 -9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.144 0.096 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.300 0.285 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.085 1.962 -10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.095 0.521 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.536 1.301 -11.929 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.266 -1.152 -10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.106 -0.038 -13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.452 -1.477 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.573 -2.997 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.494 -3.145 -13.384 1.00 0.00 H new ATOM 934 N ILE A 65 -2.656 2.615 -6.950 1.00 0.00 N ATOM 935 CA ILE A 65 -3.861 2.360 -6.170 1.00 0.00 C ATOM 936 C ILE A 65 -5.054 2.080 -7.077 1.00 0.00 C ATOM 937 O ILE A 65 -5.369 2.870 -7.967 1.00 0.00 O ATOM 938 CB ILE A 65 -4.198 3.549 -5.250 1.00 0.00 C ATOM 939 CG1 ILE A 65 -3.036 3.827 -4.294 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.475 3.271 -4.473 1.00 0.00 C ATOM 941 CD1 ILE A 65 -3.090 5.200 -3.661 1.00 0.00 C ATOM 0 H ILE A 65 -2.570 3.572 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.660 1.482 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.356 4.434 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.035 3.073 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.097 3.723 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.700 4.120 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.299 3.117 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.343 2.377 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.236 5.328 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.060 5.961 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.013 5.301 -3.090 1.00 0.00 H new ATOM 953 N GLU A 66 -5.716 0.951 -6.845 1.00 0.00 N ATOM 954 CA GLU A 66 -6.875 0.567 -7.641 1.00 0.00 C ATOM 955 C GLU A 66 -8.061 0.221 -6.744 1.00 0.00 C ATOM 956 O GLU A 66 -8.023 -0.758 -6.000 1.00 0.00 O ATOM 957 CB GLU A 66 -6.535 -0.625 -8.537 1.00 0.00 C ATOM 958 CG GLU A 66 -5.257 -0.439 -9.338 1.00 0.00 C ATOM 959 CD GLU A 66 -5.252 -1.242 -10.625 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.259 -1.189 -11.361 1.00 0.00 O ATOM 961 OE2 GLU A 66 -4.241 -1.923 -10.894 1.00 0.00 O ATOM 0 H GLU A 66 -5.469 0.286 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.150 1.416 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.440 -1.518 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.363 -0.800 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.131 0.618 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.404 -0.734 -8.727 1.00 0.00 H new ATOM 968 N GLN A 67 -9.110 1.033 -6.821 1.00 0.00 N ATOM 969 CA GLN A 67 -10.306 0.813 -6.016 1.00 0.00 C ATOM 970 C GLN A 67 -11.513 0.522 -6.902 1.00 0.00 C ATOM 971 O GLN A 67 -12.000 1.399 -7.615 1.00 0.00 O ATOM 972 CB GLN A 67 -10.586 2.034 -5.138 1.00 0.00 C ATOM 973 CG GLN A 67 -11.702 1.814 -4.129 1.00 0.00 C ATOM 974 CD GLN A 67 -12.349 3.111 -3.683 1.00 0.00 C ATOM 975 OE1 GLN A 67 -11.669 4.033 -3.232 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.668 3.188 -3.807 1.00 0.00 N ATOM 0 H GLN A 67 -9.156 1.849 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.130 -0.053 -5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.674 2.305 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.846 2.878 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.461 1.166 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.302 1.293 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.192 2.399 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.158 4.036 -3.523 1.00 0.00 H new ATOM 985 N LYS A 68 -11.992 -0.717 -6.852 1.00 0.00 N ATOM 986 CA LYS A 68 -13.142 -1.125 -7.649 1.00 0.00 C ATOM 987 C LYS A 68 -14.137 -1.915 -6.804 1.00 0.00 C ATOM 988 O LYS A 68 -14.067 -3.141 -6.730 1.00 0.00 O ATOM 989 CB LYS A 68 -12.689 -1.969 -8.843 1.00 0.00 C ATOM 990 CG LYS A 68 -12.394 -1.151 -10.088 1.00 0.00 C ATOM 991 CD LYS A 68 -13.672 -0.686 -10.766 1.00 0.00 C ATOM 992 CE LYS A 68 -13.404 0.453 -11.739 1.00 0.00 C ATOM 993 NZ LYS A 68 -14.641 0.873 -12.454 1.00 0.00 N ATOM 0 H LYS A 68 -11.601 -1.456 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.636 -0.225 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.795 -2.527 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.463 -2.701 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.787 -0.286 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.807 -1.748 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.127 -1.521 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.388 -0.360 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.991 1.304 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.653 0.142 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.417 1.651 -13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.022 0.068 -12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.349 1.194 -11.763 1.00 0.00 H new ATOM 1007 N GLY A 69 -15.063 -1.204 -6.168 1.00 0.00 N ATOM 1008 CA GLY A 69 -16.059 -1.856 -5.338 1.00 0.00 C ATOM 1009 C GLY A 69 -15.439 -2.757 -4.289 1.00 0.00 C ATOM 1010 O GLY A 69 -14.920 -3.828 -4.607 1.00 0.00 O ATOM 0 H GLY A 69 -15.141 -0.188 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.670 -1.099 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.725 -2.444 -5.969 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.490 -2.324 -3.034 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.927 -3.098 -1.933 1.00 0.00 C ATOM 1016 C LEU A 70 -13.705 -3.887 -2.392 1.00 0.00 C ATOM 1017 O LEU A 70 -13.472 -5.007 -1.939 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.979 -4.052 -1.365 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.047 -4.535 -2.346 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.514 -5.936 -1.980 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.223 -3.569 -2.374 1.00 0.00 C ATOM 0 H LEU A 70 -15.916 -1.441 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.616 -2.402 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.467 -4.924 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.477 -3.557 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.608 -4.569 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.274 -6.263 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.668 -6.622 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.935 -5.928 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.973 -3.929 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.662 -3.501 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.877 -2.583 -2.686 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.927 -3.293 -3.291 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.727 -3.940 -3.809 1.00 0.00 C ATOM 1035 C GLN A 71 -10.597 -2.932 -3.984 1.00 0.00 C ATOM 1036 O GLN A 71 -10.605 -2.130 -4.919 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.027 -4.624 -5.144 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.075 -5.763 -5.472 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.592 -6.655 -6.583 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.018 -6.173 -7.633 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.558 -7.963 -6.358 1.00 0.00 N ATOM 0 H GLN A 71 -13.106 -2.365 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.410 -4.692 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.047 -5.008 -5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.981 -3.882 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.108 -5.351 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.910 -6.363 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.197 -8.319 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.893 -8.612 -7.070 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.625 -2.977 -3.078 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.486 -2.066 -3.133 1.00 0.00 C ATOM 1052 C HIS A 72 -7.199 -2.824 -3.446 1.00 0.00 C ATOM 1053 O HIS A 72 -7.132 -4.043 -3.292 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.341 -1.317 -1.808 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.589 -0.607 -1.381 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.656 0.759 -1.208 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.824 -1.082 -1.095 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.877 1.094 -0.832 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.606 -0.005 -0.756 1.00 0.00 N ATOM 0 H HIS A 72 -9.603 -3.634 -2.298 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.666 -1.346 -3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.051 -2.024 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.532 -0.591 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.136 -2.115 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.221 2.096 -0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.590 -0.047 -0.489 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.181 -2.093 -3.887 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.897 -2.696 -4.223 1.00 0.00 C ATOM 1069 C ARG A 73 -3.799 -1.638 -4.285 1.00 0.00 C ATOM 1070 O ARG A 73 -3.995 -0.555 -4.838 1.00 0.00 O ATOM 1071 CB ARG A 73 -4.989 -3.429 -5.563 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.791 -4.317 -5.855 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.046 -5.221 -7.051 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.681 -4.504 -8.154 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.997 -4.407 -8.306 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -6.813 -4.978 -7.430 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -6.500 -3.738 -9.335 1.00 0.00 N ATOM 0 H ARG A 73 -6.220 -1.082 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.645 -3.412 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.893 -4.038 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.090 -2.695 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.915 -3.697 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.566 -4.925 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.102 -5.647 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.680 -6.054 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.081 -4.053 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.430 -5.493 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.823 -4.902 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.876 -3.297 -10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.511 -3.664 -9.450 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.643 -1.959 -3.715 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.513 -1.037 -3.704 1.00 0.00 C ATOM 1093 C LEU A 74 -0.232 -1.739 -4.145 1.00 0.00 C ATOM 1094 O LEU A 74 0.452 -2.368 -3.338 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.326 -0.443 -2.307 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.191 0.570 -2.153 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.559 1.888 -2.817 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.137 0.784 -0.683 1.00 0.00 C ATOM 0 H LEU A 74 -2.464 -2.851 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.727 -0.233 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.258 0.039 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.154 -1.260 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 74 0.695 0.173 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.260 2.597 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.743 1.722 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.458 2.291 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.947 1.508 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.745 1.160 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.445 -0.162 -0.237 1.00 0.00 H new ATOM 1110 N ILE A 75 0.086 -1.625 -5.430 1.00 0.00 N ATOM 1111 CA ILE A 75 1.285 -2.247 -5.978 1.00 0.00 C ATOM 1112 C ILE A 75 2.484 -1.309 -5.878 1.00 0.00 C ATOM 1113 O ILE A 75 2.516 -0.254 -6.513 1.00 0.00 O ATOM 1114 CB ILE A 75 1.087 -2.653 -7.450 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.189 -3.483 -7.605 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.295 -3.430 -7.952 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.420 -2.651 -7.889 1.00 0.00 C ATOM 0 H ILE A 75 -0.470 -1.108 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 75 1.475 -3.142 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 75 0.986 -1.749 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.050 -4.200 -8.414 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.352 -4.058 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.140 -3.710 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.187 -2.808 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.425 -4.329 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.287 -3.305 -7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.584 -1.952 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.278 -2.096 -8.816 1.00 0.00 H new ATOM 1129 N LEU A 76 3.470 -1.702 -5.078 1.00 0.00 N ATOM 1130 CA LEU A 76 4.673 -0.898 -4.896 1.00 0.00 C ATOM 1131 C LEU A 76 5.826 -1.446 -5.731 1.00 0.00 C ATOM 1132 O LEU A 76 6.503 -2.392 -5.328 1.00 0.00 O ATOM 1133 CB LEU A 76 5.069 -0.864 -3.419 1.00 0.00 C ATOM 1134 CG LEU A 76 3.968 -0.463 -2.438 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.210 -1.095 -1.076 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.886 1.052 -2.318 1.00 0.00 C ATOM 0 H LEU A 76 3.460 -2.572 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 76 4.456 0.116 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.435 -1.852 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.902 -0.170 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 76 3.016 -0.829 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.416 -0.798 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.217 -2.181 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.171 -0.760 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.097 1.319 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.839 1.441 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.664 1.483 -3.294 1.00 0.00 H new ATOM 1148 N HIS A 77 6.044 -0.844 -6.896 1.00 0.00 N ATOM 1149 CA HIS A 77 7.117 -1.271 -7.788 1.00 0.00 C ATOM 1150 C HIS A 77 8.437 -0.609 -7.404 1.00 0.00 C ATOM 1151 O HIS A 77 8.464 0.549 -6.987 1.00 0.00 O ATOM 1152 CB HIS A 77 6.768 -0.935 -9.238 1.00 0.00 C ATOM 1153 CG HIS A 77 5.309 -1.069 -9.549 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.794 -2.088 -10.321 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.253 -0.304 -9.185 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.485 -1.944 -10.420 1.00 0.00 C ATOM 1157 NE2 HIS A 77 3.131 -0.869 -9.739 1.00 0.00 N ATOM 0 H HIS A 77 5.493 -0.060 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 77 7.229 -2.351 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.085 0.086 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.334 -1.590 -9.900 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.287 0.585 -8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.817 -2.595 -10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.179 -0.516 -9.641 1.00 0.00 H new ATOM 1166 N ALA A 78 9.530 -1.352 -7.546 1.00 0.00 N ATOM 1167 CA ALA A 78 10.853 -0.837 -7.216 1.00 0.00 C ATOM 1168 C ALA A 78 11.058 -0.779 -5.706 1.00 0.00 C ATOM 1169 O ALA A 78 11.384 0.272 -5.154 1.00 0.00 O ATOM 1170 CB ALA A 78 11.051 0.541 -7.831 1.00 0.00 C ATOM 0 H ALA A 78 9.525 -2.313 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 78 11.596 -1.518 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.043 0.914 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.956 0.473 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.296 1.225 -7.443 1.00 0.00 H new ATOM 1176 N VAL A 79 10.864 -1.914 -5.043 1.00 0.00 N ATOM 1177 CA VAL A 79 11.028 -1.992 -3.596 1.00 0.00 C ATOM 1178 C VAL A 79 12.461 -2.357 -3.225 1.00 0.00 C ATOM 1179 O VAL A 79 12.895 -3.493 -3.418 1.00 0.00 O ATOM 1180 CB VAL A 79 10.070 -3.027 -2.978 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.630 -2.549 -3.079 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.240 -4.380 -3.652 1.00 0.00 C ATOM 0 H VAL A 79 10.593 -2.793 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 79 10.792 -1.006 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 79 10.317 -3.139 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.968 -3.293 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.522 -1.605 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.367 -2.406 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.555 -5.099 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.021 -4.287 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.266 -4.725 -3.521 1.00 0.00 H new ATOM 1192 N LYS A 80 13.193 -1.386 -2.690 1.00 0.00 N ATOM 1193 CA LYS A 80 14.578 -1.603 -2.289 1.00 0.00 C ATOM 1194 C LYS A 80 14.658 -2.068 -0.838 1.00 0.00 C ATOM 1195 O LYS A 80 13.764 -1.793 -0.037 1.00 0.00 O ATOM 1196 CB LYS A 80 15.391 -0.319 -2.469 1.00 0.00 C ATOM 1197 CG LYS A 80 15.571 0.088 -3.921 1.00 0.00 C ATOM 1198 CD LYS A 80 14.387 0.896 -4.424 1.00 0.00 C ATOM 1199 CE LYS A 80 14.413 1.040 -5.938 1.00 0.00 C ATOM 1200 NZ LYS A 80 13.573 2.179 -6.402 1.00 0.00 N ATOM 0 H LYS A 80 12.850 -0.440 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 80 14.996 -2.382 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.898 0.491 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.372 -0.453 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.484 0.675 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.693 -0.803 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.459 0.412 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.397 1.884 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.440 1.187 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.058 0.117 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.451 2.123 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.642 2.134 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.038 3.076 -6.156 1.00 0.00 H new ATOM 1214 N HIS A 81 15.734 -2.774 -0.506 1.00 0.00 N ATOM 1215 CA HIS A 81 15.931 -3.276 0.850 1.00 0.00 C ATOM 1216 C HIS A 81 16.076 -2.124 1.839 1.00 0.00 C ATOM 1217 O HIS A 81 15.901 -2.304 3.044 1.00 0.00 O ATOM 1218 CB HIS A 81 17.166 -4.174 0.909 1.00 0.00 C ATOM 1219 CG HIS A 81 18.321 -3.658 0.107 1.00 0.00 C ATOM 1220 ND1 HIS A 81 18.430 -3.836 -1.256 1.00 0.00 N ATOM 1221 CD2 HIS A 81 19.421 -2.965 0.483 1.00 0.00 C ATOM 1222 CE1 HIS A 81 19.547 -3.276 -1.683 1.00 0.00 C ATOM 1223 NE2 HIS A 81 20.167 -2.739 -0.648 1.00 0.00 N ATOM 0 H HIS A 81 16.483 -3.012 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 81 15.053 -3.860 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.476 -4.283 1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.900 -5.168 0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.667 -2.648 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.895 -3.260 -2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 81 21.055 -2.238 -0.683 1.00 0.00 H new ATOM 1232 N GLN A 82 16.397 -0.943 1.322 1.00 0.00 N ATOM 1233 CA GLN A 82 16.568 0.238 2.161 1.00 0.00 C ATOM 1234 C GLN A 82 15.265 0.594 2.870 1.00 0.00 C ATOM 1235 O GLN A 82 15.249 1.421 3.782 1.00 0.00 O ATOM 1236 CB GLN A 82 17.046 1.423 1.320 1.00 0.00 C ATOM 1237 CG GLN A 82 17.838 1.014 0.089 1.00 0.00 C ATOM 1238 CD GLN A 82 18.898 2.031 -0.287 1.00 0.00 C ATOM 1239 OE1 GLN A 82 19.708 2.438 0.547 1.00 0.00 O ATOM 1240 NE2 GLN A 82 18.898 2.448 -1.547 1.00 0.00 N ATOM 0 H GLN A 82 16.544 -0.778 0.326 1.00 0.00 H new ATOM 0 HA GLN A 82 17.321 0.011 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.181 2.009 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.664 2.073 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.313 0.050 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.155 0.880 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.208 2.084 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.588 3.132 -1.858 1.00 0.00 H new ATOM 1249 N ASP A 83 14.175 -0.034 2.444 1.00 0.00 N ATOM 1250 CA ASP A 83 12.867 0.217 3.038 1.00 0.00 C ATOM 1251 C ASP A 83 12.215 -1.088 3.486 1.00 0.00 C ATOM 1252 O ASP A 83 10.997 -1.160 3.650 1.00 0.00 O ATOM 1253 CB ASP A 83 11.960 0.939 2.041 1.00 0.00 C ATOM 1254 CG ASP A 83 12.352 2.390 1.847 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.807 3.018 2.826 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.205 2.899 0.716 1.00 0.00 O ATOM 0 H ASP A 83 14.171 -0.721 1.690 1.00 0.00 H new ATOM 0 HA ASP A 83 13.008 0.851 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.998 0.424 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.929 0.888 2.390 1.00 0.00 H new ATOM 1261 N SER A 84 13.033 -2.116 3.681 1.00 0.00 N ATOM 1262 CA SER A 84 12.536 -3.420 4.106 1.00 0.00 C ATOM 1263 C SER A 84 11.622 -3.283 5.320 1.00 0.00 C ATOM 1264 O SER A 84 11.658 -2.278 6.028 1.00 0.00 O ATOM 1265 CB SER A 84 13.703 -4.353 4.433 1.00 0.00 C ATOM 1266 OG SER A 84 13.249 -5.675 4.665 1.00 0.00 O ATOM 0 H SER A 84 14.044 -2.072 3.552 1.00 0.00 H new ATOM 0 HA SER A 84 11.959 -3.847 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.417 -4.350 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.230 -3.986 5.314 1.00 0.00 H new ATOM 0 HG SER A 84 14.014 -6.252 4.870 1.00 0.00 H new ATOM 1272 N GLY A 85 10.804 -4.305 5.555 1.00 0.00 N ATOM 1273 CA GLY A 85 9.892 -4.280 6.684 1.00 0.00 C ATOM 1274 C GLY A 85 8.849 -3.187 6.563 1.00 0.00 C ATOM 1275 O GLY A 85 8.422 -2.615 7.565 1.00 0.00 O ATOM 0 H GLY A 85 10.757 -5.149 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.394 -5.246 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.460 -4.136 7.603 1.00 0.00 H new ATOM 1279 N ALA A 86 8.440 -2.895 5.333 1.00 0.00 N ATOM 1280 CA ALA A 86 7.441 -1.862 5.085 1.00 0.00 C ATOM 1281 C ALA A 86 6.066 -2.299 5.580 1.00 0.00 C ATOM 1282 O ALA A 86 5.565 -3.358 5.199 1.00 0.00 O ATOM 1283 CB ALA A 86 7.388 -1.525 3.603 1.00 0.00 C ATOM 0 H ALA A 86 8.785 -3.359 4.493 1.00 0.00 H new ATOM 0 HA ALA A 86 7.731 -0.969 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.638 -0.753 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.363 -1.163 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.125 -2.418 3.036 1.00 0.00 H new ATOM 1289 N LEU A 87 5.461 -1.479 6.432 1.00 0.00 N ATOM 1290 CA LEU A 87 4.144 -1.781 6.980 1.00 0.00 C ATOM 1291 C LEU A 87 3.040 -1.266 6.061 1.00 0.00 C ATOM 1292 O LEU A 87 2.641 -0.105 6.142 1.00 0.00 O ATOM 1293 CB LEU A 87 3.994 -1.161 8.371 1.00 0.00 C ATOM 1294 CG LEU A 87 3.089 -1.914 9.347 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.766 -2.265 8.685 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.782 -3.169 9.857 1.00 0.00 C ATOM 0 H LEU A 87 5.862 -0.600 6.758 1.00 0.00 H new ATOM 0 HA LEU A 87 4.051 -2.864 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.985 -1.075 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.608 -0.148 8.256 1.00 0.00 H new ATOM 0 HG LEU A 87 2.885 -1.265 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.135 -2.800 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.263 -1.351 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.950 -2.896 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.123 -3.692 10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.017 -3.822 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.703 -2.893 10.370 1.00 0.00 H new ATOM 1308 N VAL A 88 2.550 -2.140 5.187 1.00 0.00 N ATOM 1309 CA VAL A 88 1.490 -1.776 4.255 1.00 0.00 C ATOM 1310 C VAL A 88 0.117 -2.128 4.818 1.00 0.00 C ATOM 1311 O VAL A 88 -0.239 -3.301 4.925 1.00 0.00 O ATOM 1312 CB VAL A 88 1.671 -2.479 2.896 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.666 -1.952 1.884 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.095 -2.300 2.390 1.00 0.00 C ATOM 0 H VAL A 88 2.870 -3.105 5.105 1.00 0.00 H new ATOM 0 HA VAL A 88 1.554 -0.698 4.109 1.00 0.00 H new ATOM 0 HB VAL A 88 1.489 -3.545 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.809 -2.460 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.346 -2.137 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.813 -0.880 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.206 -2.803 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.308 -1.238 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.793 -2.731 3.108 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.650 -1.103 5.176 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.976 -1.325 5.723 1.00 0.00 C ATOM 1326 C GLY A 89 -2.999 -0.347 5.180 1.00 0.00 C ATOM 1327 O GLY A 89 -2.646 0.737 4.715 1.00 0.00 O ATOM 0 H GLY A 89 -0.377 -0.123 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.294 -2.342 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.937 -1.239 6.809 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.270 -0.730 5.237 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.347 0.120 4.744 1.00 0.00 C ATOM 1333 C PHE A 90 -6.266 0.550 5.884 1.00 0.00 C ATOM 1334 O PHE A 90 -7.052 -0.247 6.396 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.156 -0.614 3.672 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.345 0.162 3.182 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.179 1.261 2.356 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.629 -0.210 3.547 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.271 1.977 1.904 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.725 0.502 3.098 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.546 1.596 2.274 1.00 0.00 C ATOM 0 H PHE A 90 -4.579 -1.623 5.620 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.899 1.012 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.505 -0.838 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.496 -1.568 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.184 1.562 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.775 -1.066 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.128 2.834 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.721 0.203 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.401 2.152 1.920 1.00 0.00 H new ATOM 1351 N SER A 91 -6.159 1.815 6.277 1.00 0.00 N ATOM 1352 CA SER A 91 -6.976 2.351 7.360 1.00 0.00 C ATOM 1353 C SER A 91 -8.274 2.943 6.819 1.00 0.00 C ATOM 1354 O SER A 91 -8.258 3.777 5.913 1.00 0.00 O ATOM 1355 CB SER A 91 -6.199 3.417 8.134 1.00 0.00 C ATOM 1356 OG SER A 91 -5.963 4.560 7.330 1.00 0.00 O ATOM 0 H SER A 91 -5.515 2.488 5.862 1.00 0.00 H new ATOM 0 HA SER A 91 -7.224 1.532 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.758 3.704 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.249 3.004 8.473 1.00 0.00 H new ATOM 0 HG SER A 91 -5.030 4.561 7.029 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.396 2.507 7.381 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.703 2.992 6.955 1.00 0.00 C ATOM 1364 C CYS A 92 -11.661 3.084 8.139 1.00 0.00 C ATOM 1365 O CYS A 92 -11.492 2.416 9.159 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.287 2.073 5.881 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.359 0.769 6.528 1.00 0.00 S ATOM 0 H CYS A 92 -9.426 1.818 8.133 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.574 3.990 6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.854 2.676 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.468 1.614 5.327 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.805 0.046 5.544 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.691 3.932 8.002 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.696 4.132 9.051 1.00 0.00 C ATOM 1375 C PRO A 93 -14.595 2.914 9.232 1.00 0.00 C ATOM 1376 O PRO A 93 -15.726 2.888 8.749 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.508 5.325 8.541 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.339 5.294 7.062 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.955 4.760 6.814 1.00 0.00 C ATOM 0 HA PRO A 93 -13.239 4.296 10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.558 5.238 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.142 6.262 8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.092 4.658 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.455 6.290 6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.909 4.173 5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.226 5.564 6.715 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.085 1.906 9.933 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.856 0.699 10.165 1.00 0.00 C ATOM 1389 C GLY A 94 -13.993 -0.548 10.175 1.00 0.00 C ATOM 1390 O GLY A 94 -14.412 -1.598 10.661 1.00 0.00 O ATOM 0 H GLY A 94 -13.152 1.904 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.379 0.783 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.618 0.604 9.391 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.784 -0.433 9.634 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.860 -1.559 9.581 1.00 0.00 C ATOM 1396 C VAL A 95 -10.424 -1.103 9.808 1.00 0.00 C ATOM 1397 O VAL A 95 -10.044 0.000 9.418 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.947 -2.293 8.230 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.865 -3.358 8.130 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.327 -2.905 8.043 1.00 0.00 C ATOM 0 H VAL A 95 -12.422 0.429 9.226 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.150 -2.244 10.378 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.785 -1.568 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.942 -3.866 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.884 -2.890 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.992 -4.082 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.370 -3.419 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.521 -3.617 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.080 -2.118 8.067 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.630 -1.960 10.442 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.234 -1.644 10.721 1.00 0.00 C ATOM 1412 C GLN A 96 -7.361 -2.890 10.610 1.00 0.00 C ATOM 1413 O GLN A 96 -7.406 -3.770 11.469 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.096 -1.034 12.118 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.668 -1.020 12.637 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.322 -2.267 13.427 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -5.515 -3.088 12.989 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -6.931 -2.416 14.597 1.00 0.00 N ATOM 0 H GLN A 96 -9.929 -2.878 10.772 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.897 -0.919 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.477 -0.013 12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.721 -1.594 12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.981 -0.925 11.796 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.523 -0.143 13.268 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.593 -1.711 14.921 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.737 -3.236 15.172 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.568 -2.957 9.546 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.684 -4.094 9.322 1.00 0.00 C ATOM 1429 C ASP A 97 -4.467 -3.683 8.498 1.00 0.00 C ATOM 1430 O ASP A 97 -4.489 -2.665 7.806 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.437 -5.221 8.613 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.901 -6.593 8.975 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.923 -6.942 10.174 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.459 -7.317 8.059 1.00 0.00 O ATOM 0 H ASP A 97 -6.520 -2.237 8.825 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.340 -4.451 10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.494 -5.167 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.366 -5.079 7.535 1.00 0.00 H new ATOM 1439 N SER A 98 -3.407 -4.481 8.579 1.00 0.00 N ATOM 1440 CA SER A 98 -2.179 -4.197 7.846 1.00 0.00 C ATOM 1441 C SER A 98 -1.371 -5.472 7.626 1.00 0.00 C ATOM 1442 O SER A 98 -1.586 -6.480 8.297 1.00 0.00 O ATOM 1443 CB SER A 98 -1.335 -3.168 8.601 1.00 0.00 C ATOM 1444 OG SER A 98 -0.974 -3.649 9.884 1.00 0.00 O ATOM 0 H SER A 98 -3.374 -5.329 9.145 1.00 0.00 H new ATOM 0 HA SER A 98 -2.452 -3.788 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.436 -2.939 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.894 -2.238 8.702 1.00 0.00 H new ATOM 0 HG SER A 98 -0.693 -2.898 10.448 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.439 -5.419 6.679 1.00 0.00 N ATOM 1451 CA ALA A 99 0.403 -6.567 6.371 1.00 0.00 C ATOM 1452 C ALA A 99 1.877 -6.241 6.586 1.00 0.00 C ATOM 1453 O ALA A 99 2.225 -5.129 6.982 1.00 0.00 O ATOM 1454 CB ALA A 99 0.166 -7.027 4.939 1.00 0.00 C ATOM 0 H ALA A 99 -0.249 -4.592 6.112 1.00 0.00 H new ATOM 0 HA ALA A 99 0.134 -7.376 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.802 -7.885 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.880 -7.310 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.406 -6.216 4.252 1.00 0.00 H new ATOM 1460 N ALA A 100 2.739 -7.218 6.323 1.00 0.00 N ATOM 1461 CA ALA A 100 4.176 -7.034 6.488 1.00 0.00 C ATOM 1462 C ALA A 100 4.912 -7.257 5.171 1.00 0.00 C ATOM 1463 O ALA A 100 4.616 -8.199 4.434 1.00 0.00 O ATOM 1464 CB ALA A 100 4.709 -7.973 7.559 1.00 0.00 C ATOM 0 H ALA A 100 2.467 -8.145 5.995 1.00 0.00 H new ATOM 0 HA ALA A 100 4.352 -6.005 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.783 -7.825 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.213 -7.763 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.514 -9.005 7.268 1.00 0.00 H new ATOM 1470 N LEU A 101 5.871 -6.386 4.880 1.00 0.00 N ATOM 1471 CA LEU A 101 6.650 -6.487 3.651 1.00 0.00 C ATOM 1472 C LEU A 101 8.070 -6.963 3.943 1.00 0.00 C ATOM 1473 O LEU A 101 8.591 -6.760 5.040 1.00 0.00 O ATOM 1474 CB LEU A 101 6.690 -5.136 2.936 1.00 0.00 C ATOM 1475 CG LEU A 101 7.604 -5.050 1.713 1.00 0.00 C ATOM 1476 CD1 LEU A 101 7.020 -5.842 0.553 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.825 -3.599 1.313 1.00 0.00 C ATOM 0 H LEU A 101 6.128 -5.601 5.479 1.00 0.00 H new ATOM 0 HA LEU A 101 6.167 -7.219 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.677 -4.882 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.004 -4.377 3.653 1.00 0.00 H new ATOM 0 HG LEU A 101 8.569 -5.485 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.684 -5.769 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.915 -6.888 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.042 -5.438 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.478 -3.557 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.867 -3.138 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.289 -3.060 2.139 1.00 0.00 H new ATOM 1489 N THR A 102 8.692 -7.596 2.953 1.00 0.00 N ATOM 1490 CA THR A 102 10.051 -8.099 3.104 1.00 0.00 C ATOM 1491 C THR A 102 10.841 -7.944 1.809 1.00 0.00 C ATOM 1492 O THR A 102 10.449 -8.467 0.766 1.00 0.00 O ATOM 1493 CB THR A 102 10.059 -9.582 3.522 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.437 -9.733 4.803 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.479 -10.122 3.576 1.00 0.00 C ATOM 0 H THR A 102 8.276 -7.772 2.039 1.00 0.00 H new ATOM 0 HA THR A 102 10.522 -7.506 3.888 1.00 0.00 H new ATOM 0 HB THR A 102 9.500 -10.149 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.445 -10.678 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.458 -11.170 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.940 -10.033 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.058 -9.550 4.301 1.00 0.00 H new ATOM 1503 N ILE A 103 11.955 -7.224 1.884 1.00 0.00 N ATOM 1504 CA ILE A 103 12.801 -7.003 0.718 1.00 0.00 C ATOM 1505 C ILE A 103 14.193 -7.588 0.929 1.00 0.00 C ATOM 1506 O ILE A 103 14.800 -7.405 1.983 1.00 0.00 O ATOM 1507 CB ILE A 103 12.931 -5.503 0.394 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.547 -4.873 0.223 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.768 -5.303 -0.861 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.558 -3.362 0.294 1.00 0.00 C ATOM 0 H ILE A 103 12.293 -6.784 2.740 1.00 0.00 H new ATOM 0 HA ILE A 103 12.321 -7.508 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 103 13.434 -5.009 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.133 -5.181 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.883 -5.260 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.851 -4.238 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.763 -5.720 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.291 -5.808 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.544 -2.984 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.942 -3.046 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.196 -2.965 -0.496 1.00 0.00 H new ATOM 1522 N GLN A 104 14.693 -8.291 -0.082 1.00 0.00 N ATOM 1523 CA GLN A 104 16.014 -8.903 -0.008 1.00 0.00 C ATOM 1524 C GLN A 104 16.946 -8.316 -1.063 1.00 0.00 C ATOM 1525 O GLN A 104 16.659 -8.373 -2.258 1.00 0.00 O ATOM 1526 CB GLN A 104 15.909 -10.418 -0.189 1.00 0.00 C ATOM 1527 CG GLN A 104 15.230 -11.125 0.974 1.00 0.00 C ATOM 1528 CD GLN A 104 15.187 -12.630 0.798 1.00 0.00 C ATOM 1529 OE1 GLN A 104 15.818 -13.179 -0.106 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.441 -13.306 1.663 1.00 0.00 N ATOM 0 H GLN A 104 14.203 -8.451 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 104 16.430 -8.690 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.356 -10.629 -1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.910 -10.830 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 104 15.758 -10.886 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.213 -10.746 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.935 -12.810 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.374 -14.321 1.594 1.00 0.00 H new ATOM 1539 N GLU A 105 18.063 -7.753 -0.612 1.00 0.00 N ATOM 1540 CA GLU A 105 19.036 -7.155 -1.518 1.00 0.00 C ATOM 1541 C GLU A 105 19.632 -8.208 -2.448 1.00 0.00 C ATOM 1542 O GLU A 105 19.402 -9.405 -2.277 1.00 0.00 O ATOM 1543 CB GLU A 105 20.150 -6.469 -0.725 1.00 0.00 C ATOM 1544 CG GLU A 105 20.793 -7.364 0.321 1.00 0.00 C ATOM 1545 CD GLU A 105 22.097 -6.799 0.850 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.952 -6.412 0.027 1.00 0.00 O ATOM 1547 OE2 GLU A 105 22.262 -6.745 2.086 1.00 0.00 O ATOM 0 H GLU A 105 18.316 -7.699 0.375 1.00 0.00 H new ATOM 0 HA GLU A 105 18.520 -6.410 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.918 -6.124 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.743 -5.585 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.099 -7.504 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.976 -8.348 -0.111 1.00 0.00 H new ATOM 1554 N SER A 106 20.400 -7.752 -3.433 1.00 0.00 N ATOM 1555 CA SER A 106 21.026 -8.654 -4.393 1.00 0.00 C ATOM 1556 C SER A 106 22.501 -8.311 -4.578 1.00 0.00 C ATOM 1557 O SER A 106 22.843 -7.231 -5.060 1.00 0.00 O ATOM 1558 CB SER A 106 20.302 -8.583 -5.739 1.00 0.00 C ATOM 1559 OG SER A 106 19.111 -9.350 -5.718 1.00 0.00 O ATOM 0 H SER A 106 20.603 -6.764 -3.587 1.00 0.00 H new ATOM 0 HA SER A 106 20.953 -9.669 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 106 20.066 -7.545 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 106 20.959 -8.947 -6.529 1.00 0.00 H new ATOM 0 HG SER A 106 18.336 -8.750 -5.703 1.00 0.00 H new ATOM 1565 N SER A 107 23.371 -9.238 -4.190 1.00 0.00 N ATOM 1566 CA SER A 107 24.810 -9.034 -4.309 1.00 0.00 C ATOM 1567 C SER A 107 25.373 -9.812 -5.494 1.00 0.00 C ATOM 1568 O SER A 107 24.810 -10.824 -5.911 1.00 0.00 O ATOM 1569 CB SER A 107 25.515 -9.463 -3.021 1.00 0.00 C ATOM 1570 OG SER A 107 26.882 -9.092 -3.040 1.00 0.00 O ATOM 0 H SER A 107 23.104 -10.138 -3.790 1.00 0.00 H new ATOM 0 HA SER A 107 24.989 -7.972 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 107 25.023 -9.005 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.430 -10.543 -2.898 1.00 0.00 H new ATOM 0 HG SER A 107 27.310 -9.376 -2.205 1.00 0.00 H new ATOM 1576 N GLY A 108 26.490 -9.331 -6.033 1.00 0.00 N ATOM 1577 CA GLY A 108 27.112 -9.993 -7.165 1.00 0.00 C ATOM 1578 C GLY A 108 28.156 -11.007 -6.742 1.00 0.00 C ATOM 1579 O GLY A 108 28.294 -11.333 -5.563 1.00 0.00 O ATOM 0 H GLY A 108 26.975 -8.495 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.344 -10.492 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.576 -9.246 -7.809 1.00 0.00 H new ATOM 1583 N PRO A 109 28.914 -11.525 -7.720 1.00 0.00 N ATOM 1584 CA PRO A 109 29.964 -12.516 -7.467 1.00 0.00 C ATOM 1585 C PRO A 109 31.155 -11.922 -6.724 1.00 0.00 C ATOM 1586 O PRO A 109 31.961 -12.648 -6.142 1.00 0.00 O ATOM 1587 CB PRO A 109 30.377 -12.962 -8.872 1.00 0.00 C ATOM 1588 CG PRO A 109 30.030 -11.810 -9.751 1.00 0.00 C ATOM 1589 CD PRO A 109 28.805 -11.182 -9.148 1.00 0.00 C ATOM 0 HA PRO A 109 29.612 -13.330 -6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 109 31.442 -13.189 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 109 29.845 -13.865 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 109 30.851 -11.095 -9.799 1.00 0.00 H new ATOM 0 HG3 PRO A 109 29.836 -12.142 -10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 109 28.789 -10.103 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 109 27.891 -11.580 -9.588 1.00 0.00 H new ATOM 1597 N SER A 110 31.261 -10.597 -6.749 1.00 0.00 N ATOM 1598 CA SER A 110 32.357 -9.906 -6.080 1.00 0.00 C ATOM 1599 C SER A 110 32.070 -9.746 -4.590 1.00 0.00 C ATOM 1600 O SER A 110 30.915 -9.654 -4.176 1.00 0.00 O ATOM 1601 CB SER A 110 32.587 -8.534 -6.717 1.00 0.00 C ATOM 1602 OG SER A 110 32.764 -8.646 -8.119 1.00 0.00 O ATOM 0 H SER A 110 30.602 -9.981 -7.225 1.00 0.00 H new ATOM 0 HA SER A 110 33.258 -10.508 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 110 31.738 -7.884 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 110 33.465 -8.066 -6.273 1.00 0.00 H new ATOM 0 HG SER A 110 32.907 -7.756 -8.503 1.00 0.00 H new ATOM 1608 N SER A 111 33.131 -9.713 -3.790 1.00 0.00 N ATOM 1609 CA SER A 111 32.994 -9.568 -2.345 1.00 0.00 C ATOM 1610 C SER A 111 32.452 -8.187 -1.987 1.00 0.00 C ATOM 1611 O SER A 111 32.626 -7.226 -2.735 1.00 0.00 O ATOM 1612 CB SER A 111 34.343 -9.793 -1.659 1.00 0.00 C ATOM 1613 OG SER A 111 35.295 -8.831 -2.079 1.00 0.00 O ATOM 0 H SER A 111 34.094 -9.785 -4.117 1.00 0.00 H new ATOM 0 HA SER A 111 32.286 -10.319 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 111 34.218 -9.738 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 111 34.708 -10.794 -1.887 1.00 0.00 H new ATOM 0 HG SER A 111 36.148 -8.995 -1.625 1.00 0.00 H new ATOM 1619 N GLY A 112 31.794 -8.098 -0.835 1.00 0.00 N ATOM 1620 CA GLY A 112 31.236 -6.832 -0.397 1.00 0.00 C ATOM 1621 C GLY A 112 30.035 -7.011 0.511 1.00 0.00 C ATOM 1622 O GLY A 112 29.819 -6.221 1.429 1.00 0.00 O ATOM 0 H GLY A 112 31.638 -8.879 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 112 32.003 -6.263 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 112 30.945 -6.246 -1.269 1.00 0.00 H new TER 1626 GLY A 112