USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 759 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 80 SER OG : rot 180:sc= 0.0277 USER MOD Set 1.2: A 89 SER OG : rot -83:sc=-0.00999 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -3:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 137:sc= -1.75 (180deg=-4.17!) USER MOD Single : A 11 THR OG1 : rot -152:sc= -0.834 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 46:sc= 0.13 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -113:sc= -1.06 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00889) USER MOD Single : A 43 ASN : amide:sc= -3.94! C(o=-3.9!,f=-13!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -104:sc= -1.76 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-3.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00449) USER MOD Single : A 79 TYR OH : rot -44:sc= 0.929 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 129:sc= -0.243 USER MOD Single : A 84 THR OG1 : rot 139:sc= -0.411 USER MOD Single : A 87 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD Single : A 88 SER OG : rot 90:sc= 0.118 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.745 -5.818 -0.367 1.00 0.00 N ATOM 2 CA GLY A 1 -29.185 -5.217 -1.563 1.00 0.00 C ATOM 3 C GLY A 1 -29.317 -3.707 -1.569 1.00 0.00 C ATOM 4 O GLY A 1 -30.346 -3.168 -1.978 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.630 -6.851 -0.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.251 -5.450 0.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.756 -5.585 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.132 -5.487 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.686 -5.626 -2.440 1.00 0.00 H new ATOM 8 N SER A 2 -28.274 -3.021 -1.114 1.00 0.00 N ATOM 9 CA SER A 2 -28.280 -1.563 -1.064 1.00 0.00 C ATOM 10 C SER A 2 -28.630 -0.974 -2.426 1.00 0.00 C ATOM 11 O SER A 2 -28.809 -1.703 -3.403 1.00 0.00 O ATOM 12 CB SER A 2 -26.916 -1.042 -0.605 1.00 0.00 C ATOM 13 OG SER A 2 -26.765 -1.175 0.797 1.00 0.00 O ATOM 0 H SER A 2 -27.414 -3.451 -0.774 1.00 0.00 H new ATOM 0 HA SER A 2 -29.040 -1.252 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.124 -1.592 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.809 0.005 -0.888 1.00 0.00 H new ATOM 0 HG SER A 2 -25.885 -0.837 1.065 1.00 0.00 H new ATOM 19 N SER A 3 -28.727 0.350 -2.484 1.00 0.00 N ATOM 20 CA SER A 3 -29.060 1.039 -3.726 1.00 0.00 C ATOM 21 C SER A 3 -27.890 0.991 -4.704 1.00 0.00 C ATOM 22 O SER A 3 -26.850 1.608 -4.477 1.00 0.00 O ATOM 23 CB SER A 3 -29.442 2.493 -3.441 1.00 0.00 C ATOM 24 OG SER A 3 -29.581 3.229 -4.644 1.00 0.00 O ATOM 0 H SER A 3 -28.580 0.968 -1.686 1.00 0.00 H new ATOM 0 HA SER A 3 -29.911 0.529 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.377 2.524 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.680 2.956 -2.814 1.00 0.00 H new ATOM 0 HG SER A 3 -29.827 4.154 -4.435 1.00 0.00 H new ATOM 30 N GLY A 4 -28.069 0.252 -5.795 1.00 0.00 N ATOM 31 CA GLY A 4 -27.021 0.136 -6.793 1.00 0.00 C ATOM 32 C GLY A 4 -26.378 -1.236 -6.801 1.00 0.00 C ATOM 33 O GLY A 4 -26.727 -2.088 -7.619 1.00 0.00 O ATOM 0 H GLY A 4 -28.921 -0.268 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.437 0.345 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.258 0.891 -6.603 1.00 0.00 H new ATOM 37 N SER A 5 -25.435 -1.452 -5.890 1.00 0.00 N ATOM 38 CA SER A 5 -24.737 -2.729 -5.799 1.00 0.00 C ATOM 39 C SER A 5 -24.046 -2.876 -4.447 1.00 0.00 C ATOM 40 O SER A 5 -24.077 -1.965 -3.619 1.00 0.00 O ATOM 41 CB SER A 5 -23.711 -2.855 -6.926 1.00 0.00 C ATOM 42 OG SER A 5 -24.349 -2.992 -8.184 1.00 0.00 O ATOM 0 H SER A 5 -25.136 -0.759 -5.204 1.00 0.00 H new ATOM 0 HA SER A 5 -25.474 -3.526 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.067 -1.976 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.070 -3.718 -6.744 1.00 0.00 H new ATOM 0 HG SER A 5 -25.320 -3.027 -8.056 1.00 0.00 H new ATOM 48 N SER A 6 -23.421 -4.029 -4.231 1.00 0.00 N ATOM 49 CA SER A 6 -22.724 -4.298 -2.979 1.00 0.00 C ATOM 50 C SER A 6 -21.213 -4.204 -3.167 1.00 0.00 C ATOM 51 O SER A 6 -20.619 -4.981 -3.913 1.00 0.00 O ATOM 52 CB SER A 6 -23.098 -5.684 -2.450 1.00 0.00 C ATOM 53 OG SER A 6 -22.899 -5.766 -1.049 1.00 0.00 O ATOM 0 H SER A 6 -23.383 -4.792 -4.907 1.00 0.00 H new ATOM 0 HA SER A 6 -23.030 -3.545 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.141 -5.897 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.496 -6.442 -2.951 1.00 0.00 H new ATOM 0 HG SER A 6 -23.147 -6.661 -0.735 1.00 0.00 H new ATOM 59 N GLY A 7 -20.596 -3.244 -2.483 1.00 0.00 N ATOM 60 CA GLY A 7 -19.160 -3.064 -2.588 1.00 0.00 C ATOM 61 C GLY A 7 -18.584 -2.299 -1.413 1.00 0.00 C ATOM 62 O GLY A 7 -19.326 -1.739 -0.605 1.00 0.00 O ATOM 0 H GLY A 7 -21.065 -2.588 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.679 -4.040 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.930 -2.532 -3.511 1.00 0.00 H new ATOM 66 N ILE A 8 -17.259 -2.277 -1.315 1.00 0.00 N ATOM 67 CA ILE A 8 -16.586 -1.575 -0.230 1.00 0.00 C ATOM 68 C ILE A 8 -16.047 -0.227 -0.697 1.00 0.00 C ATOM 69 O ILE A 8 -15.428 -0.128 -1.756 1.00 0.00 O ATOM 70 CB ILE A 8 -15.424 -2.408 0.343 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.955 -3.695 0.978 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.640 -1.593 1.361 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.869 -4.686 1.335 1.00 0.00 C ATOM 0 H ILE A 8 -16.631 -2.737 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.329 -1.415 0.551 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.753 -2.678 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.515 -3.442 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.655 -4.168 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.822 -2.195 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.235 -0.702 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.300 -1.297 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.318 -5.574 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.324 -4.968 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.181 -4.231 2.048 1.00 0.00 H new ATOM 85 N MET A 9 -16.287 0.809 0.101 1.00 0.00 N ATOM 86 CA MET A 9 -15.824 2.151 -0.230 1.00 0.00 C ATOM 87 C MET A 9 -14.661 2.562 0.669 1.00 0.00 C ATOM 88 O MET A 9 -14.668 2.294 1.870 1.00 0.00 O ATOM 89 CB MET A 9 -16.968 3.157 -0.094 1.00 0.00 C ATOM 90 CG MET A 9 -18.254 2.708 -0.769 1.00 0.00 C ATOM 91 SD MET A 9 -18.033 2.359 -2.524 1.00 0.00 S ATOM 92 CE MET A 9 -18.670 0.688 -2.620 1.00 0.00 C ATOM 0 H MET A 9 -16.799 0.744 0.981 1.00 0.00 H new ATOM 0 HA MET A 9 -15.477 2.144 -1.263 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.164 3.331 0.964 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.656 4.110 -0.522 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.629 1.815 -0.269 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.012 3.482 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.295 0.587 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.839 -0.015 -2.679 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.264 0.474 -1.732 1.00 0.00 H new ATOM 102 N VAL A 10 -13.664 3.213 0.078 1.00 0.00 N ATOM 103 CA VAL A 10 -12.495 3.661 0.826 1.00 0.00 C ATOM 104 C VAL A 10 -12.775 4.974 1.548 1.00 0.00 C ATOM 105 O VAL A 10 -12.712 6.050 0.951 1.00 0.00 O ATOM 106 CB VAL A 10 -11.275 3.844 -0.097 1.00 0.00 C ATOM 107 CG1 VAL A 10 -10.060 4.284 0.706 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.985 2.559 -0.858 1.00 0.00 C ATOM 0 H VAL A 10 -13.642 3.442 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.272 2.887 1.560 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.504 4.625 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.208 4.408 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.274 5.231 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.826 3.528 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.120 2.707 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.776 1.756 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.850 2.292 -1.464 1.00 0.00 H new ATOM 118 N THR A 11 -13.083 4.881 2.837 1.00 0.00 N ATOM 119 CA THR A 11 -13.373 6.061 3.642 1.00 0.00 C ATOM 120 C THR A 11 -12.142 6.948 3.781 1.00 0.00 C ATOM 121 O THR A 11 -12.244 8.175 3.780 1.00 0.00 O ATOM 122 CB THR A 11 -13.875 5.674 5.046 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.863 4.938 5.742 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.144 4.841 4.957 1.00 0.00 C ATOM 0 H THR A 11 -13.138 3.999 3.347 1.00 0.00 H new ATOM 0 HA THR A 11 -14.157 6.612 3.123 1.00 0.00 H new ATOM 0 HB THR A 11 -14.099 6.590 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.284 4.335 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.479 4.580 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.921 5.415 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.942 3.930 4.393 1.00 0.00 H new ATOM 132 N LYS A 12 -10.976 6.320 3.898 1.00 0.00 N ATOM 133 CA LYS A 12 -9.723 7.052 4.036 1.00 0.00 C ATOM 134 C LYS A 12 -8.781 6.740 2.878 1.00 0.00 C ATOM 135 O LYS A 12 -8.395 5.589 2.673 1.00 0.00 O ATOM 136 CB LYS A 12 -9.048 6.703 5.365 1.00 0.00 C ATOM 137 CG LYS A 12 -7.857 7.586 5.692 1.00 0.00 C ATOM 138 CD LYS A 12 -7.433 7.436 7.144 1.00 0.00 C ATOM 139 CE LYS A 12 -5.941 7.675 7.317 1.00 0.00 C ATOM 140 NZ LYS A 12 -5.571 9.091 7.044 1.00 0.00 N ATOM 0 H LYS A 12 -10.874 5.305 3.900 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.950 8.118 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.781 6.784 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.722 5.663 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.022 7.329 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.109 8.627 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.989 8.141 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.686 6.436 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.646 7.412 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.388 7.019 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.546 9.213 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.829 9.335 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.079 9.716 7.702 1.00 0.00 H new ATOM 154 N GLN A 13 -8.413 7.772 2.125 1.00 0.00 N ATOM 155 CA GLN A 13 -7.515 7.607 0.989 1.00 0.00 C ATOM 156 C GLN A 13 -6.059 7.742 1.421 1.00 0.00 C ATOM 157 O GLN A 13 -5.743 8.486 2.349 1.00 0.00 O ATOM 158 CB GLN A 13 -7.835 8.637 -0.095 1.00 0.00 C ATOM 159 CG GLN A 13 -9.302 8.664 -0.496 1.00 0.00 C ATOM 160 CD GLN A 13 -9.505 9.079 -1.940 1.00 0.00 C ATOM 161 OE1 GLN A 13 -9.051 10.142 -2.362 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.191 8.239 -2.706 1.00 0.00 N ATOM 0 H GLN A 13 -8.723 8.731 2.282 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.663 6.606 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.546 9.626 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.230 8.424 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.735 7.676 -0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.840 9.353 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.549 7.368 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.360 8.465 -3.686 1.00 0.00 H new ATOM 171 N LEU A 14 -5.176 7.017 0.743 1.00 0.00 N ATOM 172 CA LEU A 14 -3.752 7.055 1.057 1.00 0.00 C ATOM 173 C LEU A 14 -3.218 8.482 0.989 1.00 0.00 C ATOM 174 O LEU A 14 -3.648 9.277 0.153 1.00 0.00 O ATOM 175 CB LEU A 14 -2.973 6.160 0.092 1.00 0.00 C ATOM 176 CG LEU A 14 -3.366 4.683 0.080 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.889 4.013 -1.199 1.00 0.00 C ATOM 178 CD2 LEU A 14 -2.801 3.970 1.300 1.00 0.00 C ATOM 0 H LEU A 14 -5.421 6.396 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.619 6.685 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.094 6.556 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.913 6.231 0.337 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.453 4.617 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.178 2.962 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.342 4.506 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.804 4.090 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.091 2.920 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.714 4.046 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.193 4.433 2.206 1.00 0.00 H new ATOM 190 N GLU A 15 -2.277 8.799 1.873 1.00 0.00 N ATOM 191 CA GLU A 15 -1.683 10.130 1.912 1.00 0.00 C ATOM 192 C GLU A 15 -0.225 10.089 1.466 1.00 0.00 C ATOM 193 O GLU A 15 0.536 9.212 1.876 1.00 0.00 O ATOM 194 CB GLU A 15 -1.780 10.715 3.323 1.00 0.00 C ATOM 195 CG GLU A 15 -1.138 9.843 4.389 1.00 0.00 C ATOM 196 CD GLU A 15 -1.175 10.481 5.764 1.00 0.00 C ATOM 197 OE1 GLU A 15 -0.439 11.466 5.982 1.00 0.00 O ATOM 198 OE2 GLU A 15 -1.941 9.995 6.622 1.00 0.00 O ATOM 0 H GLU A 15 -1.910 8.152 2.571 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.237 10.767 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.305 11.696 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.830 10.866 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.651 8.882 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.103 9.642 4.114 1.00 0.00 H new ATOM 205 N ASP A 16 0.158 11.043 0.624 1.00 0.00 N ATOM 206 CA ASP A 16 1.525 11.116 0.122 1.00 0.00 C ATOM 207 C ASP A 16 2.530 10.890 1.247 1.00 0.00 C ATOM 208 O ASP A 16 2.453 11.523 2.300 1.00 0.00 O ATOM 209 CB ASP A 16 1.776 12.473 -0.538 1.00 0.00 C ATOM 210 CG ASP A 16 3.235 12.883 -0.482 1.00 0.00 C ATOM 211 OD1 ASP A 16 4.103 11.986 -0.483 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.508 14.101 -0.437 1.00 0.00 O ATOM 0 H ASP A 16 -0.459 11.776 0.275 1.00 0.00 H new ATOM 0 HA ASP A 16 1.656 10.329 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.452 12.433 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.169 13.232 -0.044 1.00 0.00 H new ATOM 217 N THR A 17 3.472 9.981 1.017 1.00 0.00 N ATOM 218 CA THR A 17 4.491 9.668 2.012 1.00 0.00 C ATOM 219 C THR A 17 5.891 9.916 1.461 1.00 0.00 C ATOM 220 O THR A 17 6.186 9.583 0.312 1.00 0.00 O ATOM 221 CB THR A 17 4.388 8.205 2.482 1.00 0.00 C ATOM 222 OG1 THR A 17 3.084 7.954 3.018 1.00 0.00 O ATOM 223 CG2 THR A 17 5.442 7.899 3.535 1.00 0.00 C ATOM 0 H THR A 17 3.551 9.448 0.151 1.00 0.00 H new ATOM 0 HA THR A 17 4.316 10.327 2.862 1.00 0.00 H new ATOM 0 HB THR A 17 4.558 7.557 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.406 8.324 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.349 6.860 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.434 8.063 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.299 8.554 4.394 1.00 0.00 H new ATOM 231 N THR A 18 6.752 10.501 2.287 1.00 0.00 N ATOM 232 CA THR A 18 8.122 10.793 1.882 1.00 0.00 C ATOM 233 C THR A 18 9.125 10.108 2.803 1.00 0.00 C ATOM 234 O THR A 18 9.368 10.563 3.920 1.00 0.00 O ATOM 235 CB THR A 18 8.396 12.309 1.880 1.00 0.00 C ATOM 236 OG1 THR A 18 7.505 12.967 0.972 1.00 0.00 O ATOM 237 CG2 THR A 18 9.836 12.598 1.485 1.00 0.00 C ATOM 0 H THR A 18 6.525 10.782 3.241 1.00 0.00 H new ATOM 0 HA THR A 18 8.241 10.408 0.869 1.00 0.00 H new ATOM 0 HB THR A 18 8.230 12.687 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.685 13.930 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.006 13.675 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.511 12.121 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.025 12.206 0.486 1.00 0.00 H new ATOM 245 N ALA A 19 9.706 9.012 2.326 1.00 0.00 N ATOM 246 CA ALA A 19 10.685 8.265 3.106 1.00 0.00 C ATOM 247 C ALA A 19 12.074 8.366 2.483 1.00 0.00 C ATOM 248 O ALA A 19 12.237 8.910 1.391 1.00 0.00 O ATOM 249 CB ALA A 19 10.263 6.809 3.228 1.00 0.00 C ATOM 0 H ALA A 19 9.516 8.622 1.403 1.00 0.00 H new ATOM 0 HA ALA A 19 10.730 8.703 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.003 6.263 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.294 6.751 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.188 6.367 2.234 1.00 0.00 H new ATOM 255 N TYR A 20 13.071 7.839 3.185 1.00 0.00 N ATOM 256 CA TYR A 20 14.446 7.872 2.703 1.00 0.00 C ATOM 257 C TYR A 20 14.883 6.497 2.207 1.00 0.00 C ATOM 258 O TYR A 20 14.329 5.474 2.612 1.00 0.00 O ATOM 259 CB TYR A 20 15.386 8.349 3.811 1.00 0.00 C ATOM 260 CG TYR A 20 15.087 9.749 4.297 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.469 10.860 3.555 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.421 9.961 5.498 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.198 12.141 3.996 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.145 11.238 5.946 1.00 0.00 C ATOM 265 CZ TYR A 20 14.536 12.325 5.192 1.00 0.00 C ATOM 266 OH TYR A 20 14.263 13.599 5.634 1.00 0.00 O ATOM 0 H TYR A 20 12.952 7.384 4.090 1.00 0.00 H new ATOM 0 HA TYR A 20 14.494 8.572 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.321 7.660 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.413 8.311 3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.987 10.720 2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.114 9.113 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.503 12.994 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.626 11.385 6.882 1.00 0.00 H new ATOM 0 HH TYR A 20 13.791 13.554 6.492 1.00 0.00 H new ATOM 276 N CYS A 21 15.880 6.481 1.329 1.00 0.00 N ATOM 277 CA CYS A 21 16.393 5.232 0.777 1.00 0.00 C ATOM 278 C CYS A 21 16.811 4.276 1.890 1.00 0.00 C ATOM 279 O CYS A 21 17.848 4.461 2.524 1.00 0.00 O ATOM 280 CB CYS A 21 17.580 5.508 -0.146 1.00 0.00 C ATOM 281 SG CYS A 21 18.245 4.034 -0.955 1.00 0.00 S ATOM 0 H CYS A 21 16.349 7.319 0.984 1.00 0.00 H new ATOM 0 HA CYS A 21 15.595 4.764 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.274 6.222 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.374 5.981 0.432 1.00 0.00 H new ATOM 0 HG CYS A 21 19.244 4.370 -1.716 1.00 0.00 H new ATOM 287 N GLY A 22 15.993 3.254 2.123 1.00 0.00 N ATOM 288 CA GLY A 22 16.293 2.286 3.162 1.00 0.00 C ATOM 289 C GLY A 22 15.321 2.359 4.322 1.00 0.00 C ATOM 290 O GLY A 22 15.176 1.400 5.079 1.00 0.00 O ATOM 0 H GLY A 22 15.128 3.079 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.271 1.283 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.305 2.454 3.529 1.00 0.00 H new ATOM 294 N GLU A 23 14.655 3.501 4.463 1.00 0.00 N ATOM 295 CA GLU A 23 13.693 3.695 5.541 1.00 0.00 C ATOM 296 C GLU A 23 12.482 2.784 5.362 1.00 0.00 C ATOM 297 O GLU A 23 12.344 2.112 4.340 1.00 0.00 O ATOM 298 CB GLU A 23 13.242 5.156 5.595 1.00 0.00 C ATOM 299 CG GLU A 23 14.152 6.044 6.428 1.00 0.00 C ATOM 300 CD GLU A 23 14.295 5.556 7.856 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.336 5.724 8.639 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.365 5.007 8.192 1.00 0.00 O ATOM 0 H GLU A 23 14.764 4.305 3.845 1.00 0.00 H new ATOM 0 HA GLU A 23 14.183 3.438 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.194 5.550 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.232 5.201 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.137 6.087 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.757 7.060 6.433 1.00 0.00 H new ATOM 309 N ARG A 24 11.609 2.766 6.363 1.00 0.00 N ATOM 310 CA ARG A 24 10.411 1.937 6.317 1.00 0.00 C ATOM 311 C ARG A 24 9.166 2.791 6.093 1.00 0.00 C ATOM 312 O ARG A 24 8.870 3.693 6.876 1.00 0.00 O ATOM 313 CB ARG A 24 10.267 1.139 7.615 1.00 0.00 C ATOM 314 CG ARG A 24 8.897 0.505 7.792 1.00 0.00 C ATOM 315 CD ARG A 24 8.512 0.411 9.260 1.00 0.00 C ATOM 316 NE ARG A 24 8.884 -0.876 9.842 1.00 0.00 N ATOM 317 CZ ARG A 24 9.040 -1.076 11.145 1.00 0.00 C ATOM 318 NH1 ARG A 24 8.856 -0.078 11.999 1.00 0.00 N ATOM 319 NH2 ARG A 24 9.379 -2.276 11.598 1.00 0.00 N ATOM 0 H ARG A 24 11.709 3.316 7.216 1.00 0.00 H new ATOM 0 HA ARG A 24 10.511 1.245 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.025 0.356 7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.465 1.798 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.151 1.092 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.896 -0.491 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.998 1.214 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.437 0.558 9.363 1.00 0.00 H new ATOM 0 HE ARG A 24 9.032 -1.665 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.594 0.846 11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.976 -0.234 13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.520 -3.047 10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.498 -2.428 12.600 1.00 0.00 H new ATOM 333 N VAL A 25 8.442 2.500 5.017 1.00 0.00 N ATOM 334 CA VAL A 25 7.229 3.240 4.689 1.00 0.00 C ATOM 335 C VAL A 25 5.994 2.554 5.262 1.00 0.00 C ATOM 336 O VAL A 25 5.920 1.327 5.309 1.00 0.00 O ATOM 337 CB VAL A 25 7.059 3.392 3.166 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.783 4.155 2.844 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.271 4.083 2.560 1.00 0.00 C ATOM 0 H VAL A 25 8.674 1.757 4.358 1.00 0.00 H new ATOM 0 HA VAL A 25 7.331 4.229 5.136 1.00 0.00 H new ATOM 0 HB VAL A 25 6.980 2.398 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.680 4.252 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.925 3.614 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.828 5.146 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.133 4.182 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.385 5.072 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.164 3.491 2.759 1.00 0.00 H new ATOM 349 N GLU A 26 5.027 3.356 5.696 1.00 0.00 N ATOM 350 CA GLU A 26 3.794 2.824 6.267 1.00 0.00 C ATOM 351 C GLU A 26 2.575 3.530 5.681 1.00 0.00 C ATOM 352 O GLU A 26 2.269 4.668 6.040 1.00 0.00 O ATOM 353 CB GLU A 26 3.803 2.978 7.789 1.00 0.00 C ATOM 354 CG GLU A 26 4.653 1.939 8.501 1.00 0.00 C ATOM 355 CD GLU A 26 4.498 1.992 10.009 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.193 3.083 10.535 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.682 0.944 10.662 1.00 0.00 O ATOM 0 H GLU A 26 5.073 4.374 5.664 1.00 0.00 H new ATOM 0 HA GLU A 26 3.735 1.765 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.171 3.972 8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.780 2.913 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.379 0.946 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.701 2.092 8.242 1.00 0.00 H new ATOM 364 N LEU A 27 1.882 2.847 4.775 1.00 0.00 N ATOM 365 CA LEU A 27 0.696 3.408 4.138 1.00 0.00 C ATOM 366 C LEU A 27 -0.572 2.965 4.861 1.00 0.00 C ATOM 367 O LEU A 27 -0.947 1.794 4.814 1.00 0.00 O ATOM 368 CB LEU A 27 0.634 2.983 2.669 1.00 0.00 C ATOM 369 CG LEU A 27 1.901 3.219 1.848 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.739 2.660 0.443 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.236 4.703 1.799 1.00 0.00 C ATOM 0 H LEU A 27 2.121 1.905 4.466 1.00 0.00 H new ATOM 0 HA LEU A 27 0.763 4.495 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.392 1.921 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.188 3.516 2.192 1.00 0.00 H new ATOM 0 HG LEU A 27 2.727 2.696 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.651 2.837 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.548 1.588 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.901 3.153 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.141 4.852 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.411 5.247 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.397 5.073 2.811 1.00 0.00 H new ATOM 383 N GLU A 28 -1.227 3.910 5.528 1.00 0.00 N ATOM 384 CA GLU A 28 -2.453 3.616 6.260 1.00 0.00 C ATOM 385 C GLU A 28 -3.680 4.038 5.457 1.00 0.00 C ATOM 386 O GLU A 28 -3.606 4.931 4.612 1.00 0.00 O ATOM 387 CB GLU A 28 -2.448 4.328 7.615 1.00 0.00 C ATOM 388 CG GLU A 28 -3.593 3.915 8.524 1.00 0.00 C ATOM 389 CD GLU A 28 -3.764 4.848 9.707 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.011 6.051 9.484 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.651 4.373 10.857 1.00 0.00 O ATOM 0 H GLU A 28 -0.929 4.884 5.576 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.499 2.539 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.503 4.124 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.496 5.404 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.518 3.891 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.417 2.902 8.887 1.00 0.00 H new ATOM 398 N CYS A 29 -4.808 3.389 5.727 1.00 0.00 N ATOM 399 CA CYS A 29 -6.052 3.695 5.029 1.00 0.00 C ATOM 400 C CYS A 29 -7.241 3.040 5.724 1.00 0.00 C ATOM 401 O CYS A 29 -7.071 2.267 6.666 1.00 0.00 O ATOM 402 CB CYS A 29 -5.973 3.227 3.575 1.00 0.00 C ATOM 403 SG CYS A 29 -5.809 1.437 3.384 1.00 0.00 S ATOM 0 H CYS A 29 -4.886 2.648 6.424 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.195 4.775 5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.869 3.557 3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.124 3.712 3.094 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.643 1.159 2.882 1.00 0.00 H new ATOM 409 N GLU A 30 -8.443 3.356 5.252 1.00 0.00 N ATOM 410 CA GLU A 30 -9.660 2.799 5.831 1.00 0.00 C ATOM 411 C GLU A 30 -10.672 2.455 4.742 1.00 0.00 C ATOM 412 O GLU A 30 -10.595 2.964 3.624 1.00 0.00 O ATOM 413 CB GLU A 30 -10.277 3.786 6.824 1.00 0.00 C ATOM 414 CG GLU A 30 -9.750 3.635 8.241 1.00 0.00 C ATOM 415 CD GLU A 30 -10.146 4.791 9.137 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.318 4.834 9.567 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.285 5.654 9.409 1.00 0.00 O ATOM 0 H GLU A 30 -8.600 3.994 4.472 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.395 1.883 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.084 4.802 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.359 3.652 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.126 2.705 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.663 3.557 8.214 1.00 0.00 H new ATOM 424 N VAL A 31 -11.622 1.587 5.077 1.00 0.00 N ATOM 425 CA VAL A 31 -12.650 1.175 4.130 1.00 0.00 C ATOM 426 C VAL A 31 -14.041 1.294 4.742 1.00 0.00 C ATOM 427 O VAL A 31 -14.192 1.721 5.887 1.00 0.00 O ATOM 428 CB VAL A 31 -12.431 -0.275 3.658 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.148 -0.385 2.848 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.403 -1.223 4.848 1.00 0.00 C ATOM 0 H VAL A 31 -11.700 1.156 5.998 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.575 1.843 3.272 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.264 -0.560 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.010 -1.416 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.212 0.265 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.301 -0.082 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.247 -2.243 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.590 -0.942 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.351 -1.164 5.383 1.00 0.00 H new ATOM 440 N SER A 32 -15.055 0.912 3.972 1.00 0.00 N ATOM 441 CA SER A 32 -16.436 0.979 4.438 1.00 0.00 C ATOM 442 C SER A 32 -16.778 -0.234 5.298 1.00 0.00 C ATOM 443 O SER A 32 -17.489 -0.119 6.295 1.00 0.00 O ATOM 444 CB SER A 32 -17.394 1.062 3.248 1.00 0.00 C ATOM 445 OG SER A 32 -18.731 1.241 3.682 1.00 0.00 O ATOM 0 H SER A 32 -14.947 0.553 3.023 1.00 0.00 H new ATOM 0 HA SER A 32 -16.546 1.877 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.104 1.890 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.320 0.152 2.653 1.00 0.00 H new ATOM 0 HG SER A 32 -19.324 1.293 2.903 1.00 0.00 H new ATOM 451 N GLU A 33 -16.266 -1.395 4.902 1.00 0.00 N ATOM 452 CA GLU A 33 -16.518 -2.630 5.636 1.00 0.00 C ATOM 453 C GLU A 33 -15.397 -2.909 6.634 1.00 0.00 C ATOM 454 O GLU A 33 -14.399 -2.189 6.679 1.00 0.00 O ATOM 455 CB GLU A 33 -16.657 -3.806 4.667 1.00 0.00 C ATOM 456 CG GLU A 33 -18.026 -3.896 4.013 1.00 0.00 C ATOM 457 CD GLU A 33 -18.281 -5.250 3.380 1.00 0.00 C ATOM 458 OE1 GLU A 33 -17.661 -6.239 3.825 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.100 -5.322 2.440 1.00 0.00 O ATOM 0 H GLU A 33 -15.675 -1.506 4.078 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.451 -2.510 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.897 -3.718 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.458 -4.734 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.795 -3.697 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.113 -3.121 3.252 1.00 0.00 H new ATOM 466 N ASP A 34 -15.570 -3.957 7.431 1.00 0.00 N ATOM 467 CA ASP A 34 -14.574 -4.332 8.428 1.00 0.00 C ATOM 468 C ASP A 34 -13.854 -5.614 8.021 1.00 0.00 C ATOM 469 O ASP A 34 -14.302 -6.332 7.126 1.00 0.00 O ATOM 470 CB ASP A 34 -15.233 -4.514 9.796 1.00 0.00 C ATOM 471 CG ASP A 34 -16.330 -5.561 9.775 1.00 0.00 C ATOM 472 OD1 ASP A 34 -16.010 -6.758 9.927 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.508 -5.182 9.606 1.00 0.00 O ATOM 0 H ASP A 34 -16.391 -4.562 7.406 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.840 -3.529 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.476 -4.800 10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.649 -3.562 10.125 1.00 0.00 H new ATOM 478 N ASP A 35 -12.738 -5.895 8.684 1.00 0.00 N ATOM 479 CA ASP A 35 -11.956 -7.091 8.391 1.00 0.00 C ATOM 480 C ASP A 35 -12.008 -7.424 6.904 1.00 0.00 C ATOM 481 O ASP A 35 -12.075 -8.592 6.521 1.00 0.00 O ATOM 482 CB ASP A 35 -12.470 -8.276 9.211 1.00 0.00 C ATOM 483 CG ASP A 35 -12.800 -7.891 10.640 1.00 0.00 C ATOM 484 OD1 ASP A 35 -13.829 -7.216 10.850 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.029 -8.266 11.548 1.00 0.00 O ATOM 0 H ASP A 35 -12.354 -5.312 9.428 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.919 -6.893 8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.360 -8.686 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.718 -9.065 9.215 1.00 0.00 H new ATOM 490 N ALA A 36 -11.979 -6.390 6.069 1.00 0.00 N ATOM 491 CA ALA A 36 -12.023 -6.574 4.624 1.00 0.00 C ATOM 492 C ALA A 36 -10.653 -6.966 4.079 1.00 0.00 C ATOM 493 O ALA A 36 -9.662 -6.965 4.807 1.00 0.00 O ATOM 494 CB ALA A 36 -12.519 -5.306 3.946 1.00 0.00 C ATOM 0 H ALA A 36 -11.925 -5.417 6.369 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.718 -7.385 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.547 -5.457 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.520 -5.069 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.845 -4.481 4.179 1.00 0.00 H new ATOM 500 N ASN A 37 -10.607 -7.300 2.793 1.00 0.00 N ATOM 501 CA ASN A 37 -9.358 -7.695 2.151 1.00 0.00 C ATOM 502 C ASN A 37 -9.067 -6.814 0.940 1.00 0.00 C ATOM 503 O ASN A 37 -9.568 -7.062 -0.157 1.00 0.00 O ATOM 504 CB ASN A 37 -9.423 -9.163 1.725 1.00 0.00 C ATOM 505 CG ASN A 37 -8.193 -9.594 0.949 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.847 -8.996 -0.070 1.00 0.00 O ATOM 507 ND2 ASN A 37 -7.527 -10.638 1.429 1.00 0.00 N ATOM 0 H ASN A 37 -11.419 -7.305 2.176 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.551 -7.568 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.530 -9.791 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.310 -9.322 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.692 -10.975 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.850 -11.103 2.277 1.00 0.00 H new ATOM 514 N VAL A 38 -8.252 -5.785 1.147 1.00 0.00 N ATOM 515 CA VAL A 38 -7.892 -4.867 0.072 1.00 0.00 C ATOM 516 C VAL A 38 -6.732 -5.415 -0.752 1.00 0.00 C ATOM 517 O VAL A 38 -5.934 -6.217 -0.266 1.00 0.00 O ATOM 518 CB VAL A 38 -7.506 -3.481 0.623 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.559 -2.984 1.601 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.136 -3.532 1.281 1.00 0.00 C ATOM 0 H VAL A 38 -7.828 -5.566 2.049 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.771 -4.765 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.457 -2.779 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.270 -2.004 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.520 -2.907 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.643 -3.684 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.880 -2.544 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.154 -4.247 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.391 -3.841 0.547 1.00 0.00 H new ATOM 530 N LYS A 39 -6.644 -4.977 -2.003 1.00 0.00 N ATOM 531 CA LYS A 39 -5.580 -5.420 -2.897 1.00 0.00 C ATOM 532 C LYS A 39 -4.607 -4.283 -3.192 1.00 0.00 C ATOM 533 O LYS A 39 -4.954 -3.319 -3.873 1.00 0.00 O ATOM 534 CB LYS A 39 -6.173 -5.951 -4.204 1.00 0.00 C ATOM 535 CG LYS A 39 -6.664 -7.385 -4.112 1.00 0.00 C ATOM 536 CD LYS A 39 -8.063 -7.459 -3.525 1.00 0.00 C ATOM 537 CE LYS A 39 -9.125 -7.192 -4.581 1.00 0.00 C ATOM 538 NZ LYS A 39 -10.397 -7.907 -4.282 1.00 0.00 N ATOM 0 H LYS A 39 -7.297 -4.315 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.033 -6.222 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.003 -5.310 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.419 -5.884 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.661 -7.836 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.979 -7.966 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.223 -8.444 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.159 -6.732 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.316 -6.121 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.753 -7.505 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.095 -7.699 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.220 -8.931 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.765 -7.590 -3.362 1.00 0.00 H new ATOM 552 N TRP A 40 -3.389 -4.404 -2.676 1.00 0.00 N ATOM 553 CA TRP A 40 -2.366 -3.387 -2.886 1.00 0.00 C ATOM 554 C TRP A 40 -1.637 -3.612 -4.206 1.00 0.00 C ATOM 555 O TRP A 40 -1.227 -4.731 -4.517 1.00 0.00 O ATOM 556 CB TRP A 40 -1.366 -3.393 -1.729 1.00 0.00 C ATOM 557 CG TRP A 40 -1.994 -3.103 -0.399 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.610 -3.998 0.429 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.068 -1.831 0.254 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.063 -3.358 1.557 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.742 -2.029 1.475 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.629 -0.545 -0.073 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -2.987 -0.988 2.366 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.874 0.487 0.813 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.547 0.261 2.021 1.00 0.00 C ATOM 0 H TRP A 40 -3.086 -5.196 -2.109 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.858 -2.415 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.876 -4.366 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.590 -2.653 -1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.724 -5.053 0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.558 -3.801 2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.108 -0.361 -1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.506 -1.160 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.541 1.485 0.570 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.722 1.088 2.693 1.00 0.00 H new ATOM 576 N PHE A 41 -1.478 -2.543 -4.980 1.00 0.00 N ATOM 577 CA PHE A 41 -0.799 -2.625 -6.267 1.00 0.00 C ATOM 578 C PHE A 41 0.294 -1.566 -6.374 1.00 0.00 C ATOM 579 O PHE A 41 0.088 -0.406 -6.017 1.00 0.00 O ATOM 580 CB PHE A 41 -1.802 -2.455 -7.409 1.00 0.00 C ATOM 581 CG PHE A 41 -2.954 -3.418 -7.343 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.032 -3.172 -6.508 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.959 -4.567 -8.117 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.092 -4.056 -6.445 1.00 0.00 C ATOM 585 CE2 PHE A 41 -4.017 -5.455 -8.058 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.085 -5.198 -7.222 1.00 0.00 C ATOM 0 H PHE A 41 -1.811 -1.610 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.336 -3.609 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.189 -1.436 -7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.284 -2.585 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.044 -2.280 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.127 -4.771 -8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.926 -3.854 -5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.008 -6.348 -8.665 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.914 -5.889 -7.176 1.00 0.00 H new ATOM 596 N LYS A 42 1.459 -1.973 -6.867 1.00 0.00 N ATOM 597 CA LYS A 42 2.586 -1.061 -7.023 1.00 0.00 C ATOM 598 C LYS A 42 2.658 -0.524 -8.448 1.00 0.00 C ATOM 599 O LYS A 42 3.160 -1.194 -9.350 1.00 0.00 O ATOM 600 CB LYS A 42 3.895 -1.770 -6.667 1.00 0.00 C ATOM 601 CG LYS A 42 5.021 -0.819 -6.302 1.00 0.00 C ATOM 602 CD LYS A 42 6.378 -1.493 -6.414 1.00 0.00 C ATOM 603 CE LYS A 42 7.509 -0.476 -6.405 1.00 0.00 C ATOM 604 NZ LYS A 42 8.813 -1.093 -6.774 1.00 0.00 N ATOM 0 H LYS A 42 1.647 -2.930 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 42 2.438 -0.221 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.717 -2.446 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.208 -2.383 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.991 0.051 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.877 -0.456 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.508 -2.191 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.420 -2.077 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.278 0.330 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.587 -0.028 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.548 -0.358 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.071 -1.810 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.732 -1.543 -7.708 1.00 0.00 H new ATOM 618 N ASN A 43 2.154 0.691 -8.644 1.00 0.00 N ATOM 619 CA ASN A 43 2.163 1.318 -9.961 1.00 0.00 C ATOM 620 C ASN A 43 1.304 0.530 -10.945 1.00 0.00 C ATOM 621 O ASN A 43 1.530 0.572 -12.154 1.00 0.00 O ATOM 622 CB ASN A 43 3.595 1.426 -10.488 1.00 0.00 C ATOM 623 CG ASN A 43 4.264 2.726 -10.085 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.620 3.627 -9.546 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.562 2.828 -10.344 1.00 0.00 N ATOM 0 H ASN A 43 1.735 1.260 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 43 1.744 2.319 -9.862 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.181 0.587 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.586 1.347 -11.575 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.066 3.679 -10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.055 2.056 -10.792 1.00 0.00 H new ATOM 632 N GLY A 44 0.317 -0.188 -10.418 1.00 0.00 N ATOM 633 CA GLY A 44 -0.561 -0.975 -11.263 1.00 0.00 C ATOM 634 C GLY A 44 -0.370 -2.466 -11.069 1.00 0.00 C ATOM 635 O GLY A 44 -1.323 -3.239 -11.169 1.00 0.00 O ATOM 0 H GLY A 44 0.110 -0.238 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.597 -0.714 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.378 -0.721 -12.307 1.00 0.00 H new ATOM 639 N GLU A 45 0.865 -2.872 -10.792 1.00 0.00 N ATOM 640 CA GLU A 45 1.178 -4.281 -10.586 1.00 0.00 C ATOM 641 C GLU A 45 0.685 -4.754 -9.221 1.00 0.00 C ATOM 642 O GLU A 45 0.655 -3.984 -8.261 1.00 0.00 O ATOM 643 CB GLU A 45 2.685 -4.515 -10.705 1.00 0.00 C ATOM 644 CG GLU A 45 3.430 -4.371 -9.389 1.00 0.00 C ATOM 645 CD GLU A 45 4.927 -4.222 -9.578 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.548 -5.149 -10.138 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.477 -3.179 -9.168 1.00 0.00 O ATOM 0 H GLU A 45 1.665 -2.245 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 45 0.667 -4.856 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.858 -5.515 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.098 -3.809 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.047 -3.503 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.231 -5.243 -8.766 1.00 0.00 H new ATOM 654 N GLU A 46 0.301 -6.024 -9.144 1.00 0.00 N ATOM 655 CA GLU A 46 -0.192 -6.598 -7.897 1.00 0.00 C ATOM 656 C GLU A 46 0.966 -7.035 -7.005 1.00 0.00 C ATOM 657 O GLU A 46 1.953 -7.596 -7.481 1.00 0.00 O ATOM 658 CB GLU A 46 -1.106 -7.791 -8.186 1.00 0.00 C ATOM 659 CG GLU A 46 -1.441 -8.613 -6.952 1.00 0.00 C ATOM 660 CD GLU A 46 -2.790 -9.296 -7.055 1.00 0.00 C ATOM 661 OE1 GLU A 46 -2.973 -10.115 -7.981 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.665 -9.012 -6.210 1.00 0.00 O ATOM 0 H GLU A 46 0.322 -6.675 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.762 -5.831 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.032 -7.429 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.626 -8.436 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.667 -9.366 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.432 -7.966 -6.075 1.00 0.00 H new ATOM 669 N ILE A 47 0.838 -6.772 -5.709 1.00 0.00 N ATOM 670 CA ILE A 47 1.873 -7.138 -4.750 1.00 0.00 C ATOM 671 C ILE A 47 1.551 -8.465 -4.072 1.00 0.00 C ATOM 672 O ILE A 47 0.418 -8.699 -3.650 1.00 0.00 O ATOM 673 CB ILE A 47 2.049 -6.053 -3.670 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.559 -4.755 -4.299 1.00 0.00 C ATOM 675 CG2 ILE A 47 3.004 -6.534 -2.587 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.761 -3.638 -3.300 1.00 0.00 C ATOM 0 H ILE A 47 0.028 -6.307 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 47 2.802 -7.236 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 47 1.080 -5.856 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.503 -4.953 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.851 -4.427 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.118 -5.757 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.604 -7.435 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.975 -6.755 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.123 -2.749 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.814 -3.412 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.492 -3.946 -2.552 1.00 0.00 H new ATOM 688 N ILE A 48 2.554 -9.330 -3.971 1.00 0.00 N ATOM 689 CA ILE A 48 2.377 -10.633 -3.342 1.00 0.00 C ATOM 690 C ILE A 48 3.257 -10.770 -2.104 1.00 0.00 C ATOM 691 O ILE A 48 4.418 -11.173 -2.178 1.00 0.00 O ATOM 692 CB ILE A 48 2.704 -11.779 -4.318 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.890 -11.628 -5.605 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.430 -13.125 -3.666 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.394 -11.663 -5.382 1.00 0.00 C ATOM 0 H ILE A 48 3.497 -9.152 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 48 1.329 -10.702 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 48 3.763 -11.730 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.156 -10.686 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.165 -12.426 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.666 -13.924 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.049 -13.230 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.378 -13.186 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.119 -11.550 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.116 -12.615 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.106 -10.849 -4.717 1.00 0.00 H new ATOM 707 N PRO A 49 2.692 -10.429 -0.936 1.00 0.00 N ATOM 708 CA PRO A 49 3.407 -10.507 0.342 1.00 0.00 C ATOM 709 C PRO A 49 3.664 -11.946 0.775 1.00 0.00 C ATOM 710 O PRO A 49 3.434 -12.884 0.013 1.00 0.00 O ATOM 711 CB PRO A 49 2.456 -9.815 1.322 1.00 0.00 C ATOM 712 CG PRO A 49 1.105 -9.974 0.716 1.00 0.00 C ATOM 713 CD PRO A 49 1.312 -9.941 -0.773 1.00 0.00 C ATOM 0 HA PRO A 49 4.393 -10.047 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.503 -10.274 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.713 -8.763 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.647 -10.913 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.438 -9.173 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.596 -10.578 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.192 -8.934 -1.173 1.00 0.00 H new ATOM 721 N GLY A 50 4.143 -12.113 2.004 1.00 0.00 N ATOM 722 CA GLY A 50 4.423 -13.441 2.517 1.00 0.00 C ATOM 723 C GLY A 50 5.645 -13.470 3.414 1.00 0.00 C ATOM 724 O GLY A 50 6.173 -12.432 3.814 1.00 0.00 O ATOM 0 H GLY A 50 4.342 -11.352 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.558 -13.802 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.572 -14.126 1.682 1.00 0.00 H new ATOM 728 N PRO A 51 6.111 -14.683 3.746 1.00 0.00 N ATOM 729 CA PRO A 51 7.283 -14.873 4.606 1.00 0.00 C ATOM 730 C PRO A 51 8.579 -14.453 3.922 1.00 0.00 C ATOM 731 O PRO A 51 9.411 -13.765 4.513 1.00 0.00 O ATOM 732 CB PRO A 51 7.284 -16.379 4.877 1.00 0.00 C ATOM 733 CG PRO A 51 6.568 -16.974 3.714 1.00 0.00 C ATOM 734 CD PRO A 51 5.531 -15.963 3.306 1.00 0.00 C ATOM 0 HA PRO A 51 7.229 -14.264 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.300 -16.766 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.779 -16.613 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.257 -17.179 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.104 -17.922 3.985 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.358 -15.977 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.571 -16.155 3.786 1.00 0.00 H new ATOM 742 N LYS A 52 8.745 -14.872 2.672 1.00 0.00 N ATOM 743 CA LYS A 52 9.939 -14.539 1.905 1.00 0.00 C ATOM 744 C LYS A 52 9.690 -13.330 1.008 1.00 0.00 C ATOM 745 O LYS A 52 10.286 -13.206 -0.062 1.00 0.00 O ATOM 746 CB LYS A 52 10.375 -15.735 1.056 1.00 0.00 C ATOM 747 CG LYS A 52 10.849 -16.923 1.876 1.00 0.00 C ATOM 748 CD LYS A 52 12.160 -16.624 2.584 1.00 0.00 C ATOM 749 CE LYS A 52 12.836 -17.899 3.065 1.00 0.00 C ATOM 750 NZ LYS A 52 12.113 -18.512 4.213 1.00 0.00 N ATOM 0 H LYS A 52 8.067 -15.443 2.168 1.00 0.00 H new ATOM 0 HA LYS A 52 10.734 -14.291 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.541 -16.047 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.177 -15.422 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.089 -17.185 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.975 -17.788 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.827 -16.090 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.975 -15.966 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.887 -18.615 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.862 -17.677 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.605 -19.378 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.086 -17.839 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.142 -18.747 3.926 1.00 0.00 H new ATOM 764 N SER A 53 8.808 -12.441 1.453 1.00 0.00 N ATOM 765 CA SER A 53 8.479 -11.243 0.689 1.00 0.00 C ATOM 766 C SER A 53 9.038 -9.996 1.368 1.00 0.00 C ATOM 767 O SER A 53 9.588 -10.068 2.467 1.00 0.00 O ATOM 768 CB SER A 53 6.963 -11.114 0.530 1.00 0.00 C ATOM 769 OG SER A 53 6.575 -9.756 0.419 1.00 0.00 O ATOM 0 H SER A 53 8.309 -12.527 2.338 1.00 0.00 H new ATOM 0 HA SER A 53 8.934 -11.334 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.639 -11.661 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.465 -11.569 1.386 1.00 0.00 H new ATOM 0 HG SER A 53 6.187 -9.456 1.268 1.00 0.00 H new ATOM 775 N ARG A 54 8.893 -8.854 0.704 1.00 0.00 N ATOM 776 CA ARG A 54 9.384 -7.590 1.241 1.00 0.00 C ATOM 777 C ARG A 54 8.238 -6.761 1.814 1.00 0.00 C ATOM 778 O ARG A 54 8.429 -5.981 2.748 1.00 0.00 O ATOM 779 CB ARG A 54 10.108 -6.796 0.152 1.00 0.00 C ATOM 780 CG ARG A 54 11.535 -7.258 -0.092 1.00 0.00 C ATOM 781 CD ARG A 54 11.578 -8.482 -0.993 1.00 0.00 C ATOM 782 NE ARG A 54 11.255 -8.153 -2.379 1.00 0.00 N ATOM 783 CZ ARG A 54 12.117 -7.592 -3.221 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.347 -7.301 -2.819 1.00 0.00 N ATOM 785 NH2 ARG A 54 11.749 -7.323 -4.467 1.00 0.00 N ATOM 0 H ARG A 54 8.440 -8.778 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 54 10.085 -7.813 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.545 -6.875 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.119 -5.742 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.107 -6.450 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.012 -7.489 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.571 -8.930 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.875 -9.229 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 54 10.317 -8.365 -2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.633 -7.508 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.007 -6.871 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.804 -7.547 -4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.411 -6.892 -5.113 1.00 0.00 H new ATOM 799 N TYR A 55 7.049 -6.934 1.248 1.00 0.00 N ATOM 800 CA TYR A 55 5.873 -6.200 1.701 1.00 0.00 C ATOM 801 C TYR A 55 5.068 -7.024 2.700 1.00 0.00 C ATOM 802 O TYR A 55 5.082 -8.255 2.662 1.00 0.00 O ATOM 803 CB TYR A 55 4.993 -5.821 0.508 1.00 0.00 C ATOM 804 CG TYR A 55 5.728 -5.053 -0.567 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.480 -5.714 -1.530 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.669 -3.665 -0.620 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.153 -5.015 -2.513 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.338 -2.959 -1.600 1.00 0.00 C ATOM 809 CZ TYR A 55 7.079 -3.639 -2.545 1.00 0.00 C ATOM 810 OH TYR A 55 7.747 -2.939 -3.524 1.00 0.00 O ATOM 0 H TYR A 55 6.874 -7.576 0.475 1.00 0.00 H new ATOM 0 HA TYR A 55 6.212 -5.291 2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.575 -6.729 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.154 -5.222 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.539 -6.792 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.090 -3.130 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.735 -5.544 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.282 -1.881 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 55 7.590 -1.979 -3.405 1.00 0.00 H new ATOM 820 N ARG A 56 4.365 -6.336 3.594 1.00 0.00 N ATOM 821 CA ARG A 56 3.553 -7.003 4.605 1.00 0.00 C ATOM 822 C ARG A 56 2.221 -6.283 4.794 1.00 0.00 C ATOM 823 O ARG A 56 2.169 -5.192 5.362 1.00 0.00 O ATOM 824 CB ARG A 56 4.305 -7.063 5.936 1.00 0.00 C ATOM 825 CG ARG A 56 5.710 -7.631 5.816 1.00 0.00 C ATOM 826 CD ARG A 56 6.641 -7.041 6.864 1.00 0.00 C ATOM 827 NE ARG A 56 6.192 -7.336 8.222 1.00 0.00 N ATOM 828 CZ ARG A 56 6.433 -8.485 8.843 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.116 -9.443 8.230 1.00 0.00 N ATOM 830 NH2 ARG A 56 5.992 -8.678 10.079 1.00 0.00 N ATOM 0 H ARG A 56 4.341 -5.317 3.639 1.00 0.00 H new ATOM 0 HA ARG A 56 3.353 -8.018 4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.363 -6.059 6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.735 -7.671 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.676 -8.715 5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.103 -7.424 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.646 -7.437 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.702 -5.961 6.729 1.00 0.00 H new ATOM 0 HE ARG A 56 5.664 -6.620 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.457 -9.298 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.300 -10.325 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.467 -7.943 10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.178 -9.561 10.555 1.00 0.00 H new ATOM 844 N ILE A 57 1.147 -6.901 4.313 1.00 0.00 N ATOM 845 CA ILE A 57 -0.184 -6.319 4.430 1.00 0.00 C ATOM 846 C ILE A 57 -0.890 -6.810 5.689 1.00 0.00 C ATOM 847 O ILE A 57 -1.261 -7.979 5.790 1.00 0.00 O ATOM 848 CB ILE A 57 -1.054 -6.655 3.204 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.341 -6.239 1.916 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.408 -5.968 3.311 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.713 -7.086 0.719 1.00 0.00 C ATOM 0 H ILE A 57 1.173 -7.804 3.839 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.052 -5.239 4.488 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.216 -7.733 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.576 -5.197 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.736 -6.297 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.011 -6.215 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.918 -6.308 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.265 -4.888 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.170 -6.734 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.452 -8.126 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.785 -7.009 0.537 1.00 0.00 H new ATOM 863 N ARG A 58 -1.073 -5.907 6.648 1.00 0.00 N ATOM 864 CA ARG A 58 -1.735 -6.248 7.901 1.00 0.00 C ATOM 865 C ARG A 58 -3.146 -5.667 7.946 1.00 0.00 C ATOM 866 O ARG A 58 -3.408 -4.602 7.388 1.00 0.00 O ATOM 867 CB ARG A 58 -0.922 -5.730 9.089 1.00 0.00 C ATOM 868 CG ARG A 58 -1.629 -5.885 10.425 1.00 0.00 C ATOM 869 CD ARG A 58 -1.027 -4.974 11.484 1.00 0.00 C ATOM 870 NE ARG A 58 0.116 -5.591 12.151 1.00 0.00 N ATOM 871 CZ ARG A 58 1.061 -4.901 12.779 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.999 -3.577 12.826 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.070 -5.534 13.363 1.00 0.00 N ATOM 0 H ARG A 58 -0.772 -4.935 6.581 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.805 -7.334 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.029 -6.262 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.692 -4.677 8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.688 -5.656 10.306 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.562 -6.922 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.715 -4.038 11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.788 -4.726 12.224 1.00 0.00 H new ATOM 0 HE ARG A 58 0.193 -6.608 12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.224 -3.087 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.726 -3.049 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.121 -6.552 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.795 -5.002 13.845 1.00 0.00 H new ATOM 887 N VAL A 59 -4.051 -6.376 8.614 1.00 0.00 N ATOM 888 CA VAL A 59 -5.434 -5.932 8.732 1.00 0.00 C ATOM 889 C VAL A 59 -5.795 -5.639 10.184 1.00 0.00 C ATOM 890 O VAL A 59 -5.742 -6.524 11.037 1.00 0.00 O ATOM 891 CB VAL A 59 -6.411 -6.984 8.174 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.850 -6.521 8.346 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.106 -7.271 6.712 1.00 0.00 C ATOM 0 H VAL A 59 -3.851 -7.260 9.081 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.524 -5.017 8.146 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.282 -7.909 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.526 -7.277 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.060 -6.371 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.997 -5.583 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.806 -8.016 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.205 -6.353 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.088 -7.650 6.620 1.00 0.00 H new ATOM 903 N GLU A 60 -6.163 -4.391 10.456 1.00 0.00 N ATOM 904 CA GLU A 60 -6.532 -3.982 11.806 1.00 0.00 C ATOM 905 C GLU A 60 -7.881 -3.268 11.808 1.00 0.00 C ATOM 906 O GLU A 60 -8.014 -2.166 11.278 1.00 0.00 O ATOM 907 CB GLU A 60 -5.458 -3.067 12.398 1.00 0.00 C ATOM 908 CG GLU A 60 -4.267 -3.817 12.970 1.00 0.00 C ATOM 909 CD GLU A 60 -4.630 -4.646 14.187 1.00 0.00 C ATOM 910 OE1 GLU A 60 -4.905 -4.050 15.250 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.638 -5.890 14.078 1.00 0.00 O ATOM 0 H GLU A 60 -6.213 -3.647 9.760 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.613 -4.879 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.109 -2.383 11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.905 -2.458 13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.850 -4.469 12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.488 -3.103 13.240 1.00 0.00 H new ATOM 918 N GLY A 61 -8.881 -3.906 12.410 1.00 0.00 N ATOM 919 CA GLY A 61 -10.207 -3.319 12.469 1.00 0.00 C ATOM 920 C GLY A 61 -10.765 -3.006 11.095 1.00 0.00 C ATOM 921 O GLY A 61 -10.998 -3.909 10.291 1.00 0.00 O ATOM 0 H GLY A 61 -8.796 -4.819 12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.881 -4.003 12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.170 -2.404 13.060 1.00 0.00 H new ATOM 925 N LYS A 62 -10.981 -1.724 10.824 1.00 0.00 N ATOM 926 CA LYS A 62 -11.516 -1.293 9.538 1.00 0.00 C ATOM 927 C LYS A 62 -10.487 -0.473 8.767 1.00 0.00 C ATOM 928 O LYS A 62 -10.824 0.230 7.814 1.00 0.00 O ATOM 929 CB LYS A 62 -12.791 -0.470 9.742 1.00 0.00 C ATOM 930 CG LYS A 62 -13.829 -1.162 10.608 1.00 0.00 C ATOM 931 CD LYS A 62 -14.964 -0.221 10.977 1.00 0.00 C ATOM 932 CE LYS A 62 -15.993 -0.125 9.861 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.266 0.487 10.333 1.00 0.00 N ATOM 0 H LYS A 62 -10.794 -0.964 11.478 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.755 -2.183 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.528 0.485 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.230 -0.249 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.229 -2.026 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.356 -1.536 11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.447 -0.571 11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.562 0.770 11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.586 0.468 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.193 -1.120 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.942 0.535 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.667 -0.093 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.079 1.447 10.688 1.00 0.00 H new ATOM 947 N LYS A 63 -9.229 -0.567 9.185 1.00 0.00 N ATOM 948 CA LYS A 63 -8.149 0.164 8.534 1.00 0.00 C ATOM 949 C LYS A 63 -7.001 -0.773 8.168 1.00 0.00 C ATOM 950 O LYS A 63 -6.732 -1.746 8.873 1.00 0.00 O ATOM 951 CB LYS A 63 -7.638 1.281 9.446 1.00 0.00 C ATOM 952 CG LYS A 63 -6.703 0.794 10.540 1.00 0.00 C ATOM 953 CD LYS A 63 -7.470 0.363 11.779 1.00 0.00 C ATOM 954 CE LYS A 63 -7.676 1.525 12.738 1.00 0.00 C ATOM 955 NZ LYS A 63 -8.041 1.058 14.104 1.00 0.00 N ATOM 0 H LYS A 63 -8.933 -1.143 9.973 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.543 0.604 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.119 2.024 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.490 1.782 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.111 -0.042 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.004 1.588 10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.438 -0.044 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.928 -0.436 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.764 2.120 12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.461 2.177 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.173 1.879 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.925 0.512 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.281 0.456 14.480 1.00 0.00 H new ATOM 969 N HIS A 64 -6.328 -0.472 7.062 1.00 0.00 N ATOM 970 CA HIS A 64 -5.208 -1.286 6.604 1.00 0.00 C ATOM 971 C HIS A 64 -3.896 -0.512 6.704 1.00 0.00 C ATOM 972 O HIS A 64 -3.884 0.717 6.638 1.00 0.00 O ATOM 973 CB HIS A 64 -5.436 -1.741 5.162 1.00 0.00 C ATOM 974 CG HIS A 64 -6.571 -2.707 5.012 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.433 -3.943 4.417 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.869 -2.612 5.384 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.597 -4.567 4.428 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.485 -3.781 5.010 1.00 0.00 N ATOM 0 H HIS A 64 -6.539 0.329 6.467 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.142 -2.163 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.629 -0.867 4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.523 -2.204 4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.333 -1.774 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.790 -5.552 4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.469 -4.006 5.158 1.00 0.00 H new ATOM 987 N ILE A 65 -2.796 -1.240 6.865 1.00 0.00 N ATOM 988 CA ILE A 65 -1.481 -0.621 6.974 1.00 0.00 C ATOM 989 C ILE A 65 -0.432 -1.422 6.210 1.00 0.00 C ATOM 990 O ILE A 65 -0.034 -2.508 6.634 1.00 0.00 O ATOM 991 CB ILE A 65 -1.041 -0.489 8.444 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.993 0.436 9.204 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.387 0.029 8.525 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.168 -0.285 9.826 1.00 0.00 C ATOM 0 H ILE A 65 -2.789 -2.258 6.923 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.563 0.375 6.538 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.076 -1.475 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.437 0.952 9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.366 1.200 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.683 0.117 9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.055 -0.665 8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.447 1.007 8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.800 0.433 10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.747 -0.778 9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.804 -1.030 10.533 1.00 0.00 H new ATOM 1006 N LEU A 66 0.014 -0.879 5.083 1.00 0.00 N ATOM 1007 CA LEU A 66 1.020 -1.541 4.260 1.00 0.00 C ATOM 1008 C LEU A 66 2.422 -1.065 4.625 1.00 0.00 C ATOM 1009 O LEU A 66 2.814 0.054 4.294 1.00 0.00 O ATOM 1010 CB LEU A 66 0.749 -1.277 2.778 1.00 0.00 C ATOM 1011 CG LEU A 66 1.748 -1.887 1.794 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.494 -3.377 1.630 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.671 -1.180 0.449 1.00 0.00 C ATOM 0 H LEU A 66 -0.305 0.018 4.718 1.00 0.00 H new ATOM 0 HA LEU A 66 0.960 -2.613 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.244 -1.656 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.726 -0.199 2.620 1.00 0.00 H new ATOM 0 HG LEU A 66 2.752 -1.753 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.215 -3.794 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.601 -3.873 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.484 -3.534 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.389 -1.627 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.665 -1.282 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.904 -0.123 0.580 1.00 0.00 H new ATOM 1025 N ILE A 67 3.174 -1.923 5.307 1.00 0.00 N ATOM 1026 CA ILE A 67 4.533 -1.591 5.714 1.00 0.00 C ATOM 1027 C ILE A 67 5.552 -2.112 4.706 1.00 0.00 C ATOM 1028 O ILE A 67 5.481 -3.264 4.276 1.00 0.00 O ATOM 1029 CB ILE A 67 4.862 -2.169 7.104 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.287 -1.791 7.513 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.688 -3.680 7.104 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.354 -2.584 6.791 1.00 0.00 C ATOM 0 H ILE A 67 2.864 -2.853 5.589 1.00 0.00 H new ATOM 0 HA ILE A 67 4.592 -0.503 5.758 1.00 0.00 H new ATOM 0 HB ILE A 67 4.171 -1.744 7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.442 -0.729 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.400 -1.940 8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.924 -4.073 8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.657 -3.928 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.358 -4.123 6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.339 -2.263 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.225 -3.645 7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.268 -2.416 5.717 1.00 0.00 H new ATOM 1044 N ILE A 68 6.499 -1.258 4.334 1.00 0.00 N ATOM 1045 CA ILE A 68 7.533 -1.633 3.378 1.00 0.00 C ATOM 1046 C ILE A 68 8.912 -1.627 4.030 1.00 0.00 C ATOM 1047 O ILE A 68 9.411 -0.578 4.437 1.00 0.00 O ATOM 1048 CB ILE A 68 7.548 -0.687 2.163 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.125 -0.466 1.645 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.437 -1.249 1.064 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.007 0.693 0.679 1.00 0.00 C ATOM 0 H ILE A 68 6.572 -0.301 4.680 1.00 0.00 H new ATOM 0 HA ILE A 68 7.298 -2.642 3.039 1.00 0.00 H new ATOM 0 HB ILE A 68 7.955 0.275 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.781 -1.375 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.462 -0.292 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.437 -0.569 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.454 -1.360 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.058 -2.222 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.972 0.791 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.320 1.612 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.644 0.512 -0.186 1.00 0.00 H new ATOM 1063 N GLU A 69 9.522 -2.804 4.123 1.00 0.00 N ATOM 1064 CA GLU A 69 10.844 -2.933 4.724 1.00 0.00 C ATOM 1065 C GLU A 69 11.937 -2.614 3.708 1.00 0.00 C ATOM 1066 O GLU A 69 12.228 -3.414 2.820 1.00 0.00 O ATOM 1067 CB GLU A 69 11.042 -4.346 5.276 1.00 0.00 C ATOM 1068 CG GLU A 69 10.601 -4.503 6.721 1.00 0.00 C ATOM 1069 CD GLU A 69 10.336 -5.948 7.096 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.104 -6.767 6.182 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.361 -6.261 8.305 1.00 0.00 O ATOM 0 H GLU A 69 9.122 -3.681 3.790 1.00 0.00 H new ATOM 0 HA GLU A 69 10.914 -2.218 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.486 -5.050 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.095 -4.614 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.370 -4.096 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.697 -3.917 6.887 1.00 0.00 H new ATOM 1078 N GLY A 70 12.541 -1.437 3.847 1.00 0.00 N ATOM 1079 CA GLY A 70 13.594 -1.031 2.935 1.00 0.00 C ATOM 1080 C GLY A 70 13.058 -0.312 1.713 1.00 0.00 C ATOM 1081 O GLY A 70 12.964 -0.895 0.634 1.00 0.00 O ATOM 0 H GLY A 70 12.319 -0.758 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.293 -0.379 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.155 -1.910 2.618 1.00 0.00 H new ATOM 1085 N ALA A 71 12.705 0.958 1.883 1.00 0.00 N ATOM 1086 CA ALA A 71 12.176 1.757 0.785 1.00 0.00 C ATOM 1087 C ALA A 71 13.302 2.392 -0.024 1.00 0.00 C ATOM 1088 O ALA A 71 13.758 3.493 0.285 1.00 0.00 O ATOM 1089 CB ALA A 71 11.237 2.829 1.318 1.00 0.00 C ATOM 0 H ALA A 71 12.776 1.455 2.771 1.00 0.00 H new ATOM 0 HA ALA A 71 11.617 1.096 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.849 3.419 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.409 2.357 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.780 3.480 2.003 1.00 0.00 H new ATOM 1095 N THR A 72 13.747 1.690 -1.062 1.00 0.00 N ATOM 1096 CA THR A 72 14.821 2.184 -1.914 1.00 0.00 C ATOM 1097 C THR A 72 14.293 3.176 -2.944 1.00 0.00 C ATOM 1098 O THR A 72 13.084 3.362 -3.080 1.00 0.00 O ATOM 1099 CB THR A 72 15.532 1.031 -2.646 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.567 0.104 -3.155 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.494 0.309 -1.714 1.00 0.00 C ATOM 0 H THR A 72 13.380 0.778 -1.332 1.00 0.00 H new ATOM 0 HA THR A 72 15.536 2.687 -1.263 1.00 0.00 H new ATOM 0 HB THR A 72 16.101 1.453 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.028 -0.625 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.984 -0.501 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.245 1.011 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.942 -0.100 -0.868 1.00 0.00 H new ATOM 1109 N LYS A 73 15.207 3.812 -3.669 1.00 0.00 N ATOM 1110 CA LYS A 73 14.835 4.784 -4.690 1.00 0.00 C ATOM 1111 C LYS A 73 13.802 4.199 -5.648 1.00 0.00 C ATOM 1112 O LYS A 73 12.802 4.842 -5.966 1.00 0.00 O ATOM 1113 CB LYS A 73 16.072 5.236 -5.469 1.00 0.00 C ATOM 1114 CG LYS A 73 16.805 6.399 -4.826 1.00 0.00 C ATOM 1115 CD LYS A 73 16.267 7.735 -5.312 1.00 0.00 C ATOM 1116 CE LYS A 73 17.315 8.832 -5.199 1.00 0.00 C ATOM 1117 NZ LYS A 73 18.319 8.755 -6.296 1.00 0.00 N ATOM 0 H LYS A 73 16.212 3.671 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 73 14.393 5.647 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.758 4.394 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.772 5.520 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.706 6.338 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.869 6.330 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.945 7.643 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.388 8.009 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.826 9.806 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.821 8.753 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.218 9.166 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.469 7.760 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.973 9.284 -7.121 1.00 0.00 H new ATOM 1131 N ALA A 74 14.051 2.975 -6.103 1.00 0.00 N ATOM 1132 CA ALA A 74 13.141 2.302 -7.022 1.00 0.00 C ATOM 1133 C ALA A 74 11.761 2.125 -6.397 1.00 0.00 C ATOM 1134 O ALA A 74 10.743 2.424 -7.021 1.00 0.00 O ATOM 1135 CB ALA A 74 13.712 0.955 -7.437 1.00 0.00 C ATOM 0 H ALA A 74 14.875 2.430 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 74 13.031 2.926 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.022 0.463 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.672 1.104 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.852 0.331 -6.554 1.00 0.00 H new ATOM 1141 N ASP A 75 11.735 1.636 -5.162 1.00 0.00 N ATOM 1142 CA ASP A 75 10.480 1.419 -4.452 1.00 0.00 C ATOM 1143 C ASP A 75 9.536 2.602 -4.644 1.00 0.00 C ATOM 1144 O ASP A 75 8.327 2.426 -4.792 1.00 0.00 O ATOM 1145 CB ASP A 75 10.744 1.198 -2.962 1.00 0.00 C ATOM 1146 CG ASP A 75 11.195 -0.217 -2.657 1.00 0.00 C ATOM 1147 OD1 ASP A 75 10.902 -1.121 -3.468 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.842 -0.420 -1.609 1.00 0.00 O ATOM 0 H ASP A 75 12.569 1.382 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 75 10.006 0.528 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.506 1.900 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.837 1.416 -2.399 1.00 0.00 H new ATOM 1153 N ALA A 76 10.096 3.807 -4.639 1.00 0.00 N ATOM 1154 CA ALA A 76 9.304 5.018 -4.813 1.00 0.00 C ATOM 1155 C ALA A 76 8.375 4.898 -6.016 1.00 0.00 C ATOM 1156 O ALA A 76 8.780 5.142 -7.152 1.00 0.00 O ATOM 1157 CB ALA A 76 10.216 6.227 -4.967 1.00 0.00 C ATOM 0 H ALA A 76 11.095 3.971 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 76 8.689 5.151 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.611 7.125 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.835 6.332 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.855 6.092 -5.839 1.00 0.00 H new ATOM 1163 N ALA A 77 7.127 4.520 -5.758 1.00 0.00 N ATOM 1164 CA ALA A 77 6.140 4.369 -6.820 1.00 0.00 C ATOM 1165 C ALA A 77 4.735 4.670 -6.311 1.00 0.00 C ATOM 1166 O ALA A 77 4.504 4.739 -5.104 1.00 0.00 O ATOM 1167 CB ALA A 77 6.202 2.965 -7.403 1.00 0.00 C ATOM 0 H ALA A 77 6.776 4.313 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 77 6.376 5.088 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.459 2.867 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.196 2.785 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.995 2.236 -6.619 1.00 0.00 H new ATOM 1173 N GLU A 78 3.799 4.849 -7.238 1.00 0.00 N ATOM 1174 CA GLU A 78 2.417 5.145 -6.881 1.00 0.00 C ATOM 1175 C GLU A 78 1.695 3.885 -6.410 1.00 0.00 C ATOM 1176 O GLU A 78 1.312 3.038 -7.216 1.00 0.00 O ATOM 1177 CB GLU A 78 1.677 5.754 -8.074 1.00 0.00 C ATOM 1178 CG GLU A 78 0.256 6.184 -7.754 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.385 6.968 -8.883 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.022 6.725 -10.053 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.247 7.824 -8.596 1.00 0.00 O ATOM 0 H GLU A 78 3.973 4.794 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 78 2.427 5.865 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.236 6.617 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.653 5.027 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.347 5.302 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.260 6.793 -6.850 1.00 0.00 H new ATOM 1188 N TYR A 79 1.514 3.770 -5.099 1.00 0.00 N ATOM 1189 CA TYR A 79 0.842 2.613 -4.519 1.00 0.00 C ATOM 1190 C TYR A 79 -0.670 2.818 -4.493 1.00 0.00 C ATOM 1191 O TYR A 79 -1.181 3.659 -3.753 1.00 0.00 O ATOM 1192 CB TYR A 79 1.357 2.355 -3.102 1.00 0.00 C ATOM 1193 CG TYR A 79 2.818 1.968 -3.051 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.814 2.937 -3.072 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.203 0.635 -2.981 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.150 2.589 -3.026 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.536 0.278 -2.933 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.506 1.259 -2.956 1.00 0.00 C ATOM 1199 OH TYR A 79 6.836 0.907 -2.909 1.00 0.00 O ATOM 0 H TYR A 79 1.823 4.464 -4.418 1.00 0.00 H new ATOM 0 HA TYR A 79 1.063 1.746 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.206 3.251 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.763 1.562 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.539 3.980 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.446 -0.136 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.911 3.355 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.818 -0.763 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 79 7.338 1.437 -3.563 1.00 0.00 H new ATOM 1209 N SER A 80 -1.380 2.042 -5.305 1.00 0.00 N ATOM 1210 CA SER A 80 -2.833 2.140 -5.379 1.00 0.00 C ATOM 1211 C SER A 80 -3.488 0.835 -4.935 1.00 0.00 C ATOM 1212 O SER A 80 -3.057 -0.252 -5.320 1.00 0.00 O ATOM 1213 CB SER A 80 -3.271 2.484 -6.804 1.00 0.00 C ATOM 1214 OG SER A 80 -2.504 3.554 -7.328 1.00 0.00 O ATOM 0 H SER A 80 -0.973 1.338 -5.921 1.00 0.00 H new ATOM 0 HA SER A 80 -3.154 2.936 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.163 1.608 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.327 2.753 -6.808 1.00 0.00 H new ATOM 0 HG SER A 80 -2.802 3.754 -8.240 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.533 0.952 -4.122 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.249 -0.217 -3.625 1.00 0.00 C ATOM 1222 C VAL A 81 -6.523 -0.462 -4.426 1.00 0.00 C ATOM 1223 O VAL A 81 -6.978 0.407 -5.169 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.614 -0.060 -2.137 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.436 0.499 -1.354 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.840 0.827 -1.980 1.00 0.00 C ATOM 0 H VAL A 81 -4.903 1.844 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.581 -1.071 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.852 -1.044 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.713 0.603 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.587 -0.179 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.162 1.475 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.084 0.927 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.633 1.812 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.683 0.379 -2.506 1.00 0.00 H new ATOM 1236 N MET A 82 -7.093 -1.652 -4.270 1.00 0.00 N ATOM 1237 CA MET A 82 -8.316 -2.012 -4.978 1.00 0.00 C ATOM 1238 C MET A 82 -9.186 -2.932 -4.128 1.00 0.00 C ATOM 1239 O MET A 82 -8.810 -4.069 -3.840 1.00 0.00 O ATOM 1240 CB MET A 82 -7.981 -2.692 -6.307 1.00 0.00 C ATOM 1241 CG MET A 82 -9.024 -2.463 -7.388 1.00 0.00 C ATOM 1242 SD MET A 82 -9.036 -3.769 -8.631 1.00 0.00 S ATOM 1243 CE MET A 82 -7.562 -3.362 -9.563 1.00 0.00 C ATOM 0 H MET A 82 -6.728 -2.383 -3.660 1.00 0.00 H new ATOM 0 HA MET A 82 -8.873 -1.096 -5.177 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.017 -2.325 -6.660 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.872 -3.764 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.010 -2.396 -6.928 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.834 -1.506 -7.874 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.432 -4.082 -10.371 1.00 0.00 H new ATOM 0 HE2 MET A 82 -7.661 -2.361 -9.982 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.694 -3.395 -8.904 1.00 0.00 H new ATOM 1253 N THR A 83 -10.353 -2.435 -3.728 1.00 0.00 N ATOM 1254 CA THR A 83 -11.275 -3.212 -2.910 1.00 0.00 C ATOM 1255 C THR A 83 -12.434 -3.745 -3.744 1.00 0.00 C ATOM 1256 O THR A 83 -12.502 -3.515 -4.952 1.00 0.00 O ATOM 1257 CB THR A 83 -11.838 -2.373 -1.747 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.476 -1.196 -2.256 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.732 -1.978 -0.780 1.00 0.00 C ATOM 0 H THR A 83 -10.681 -1.497 -3.958 1.00 0.00 H new ATOM 0 HA THR A 83 -10.708 -4.049 -2.503 1.00 0.00 H new ATOM 0 HB THR A 83 -12.568 -2.979 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.378 -1.124 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.153 -1.386 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.267 -2.876 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.982 -1.388 -1.307 1.00 0.00 H new ATOM 1267 N THR A 84 -13.347 -4.459 -3.093 1.00 0.00 N ATOM 1268 CA THR A 84 -14.503 -5.026 -3.774 1.00 0.00 C ATOM 1269 C THR A 84 -15.291 -3.948 -4.509 1.00 0.00 C ATOM 1270 O THR A 84 -15.911 -4.211 -5.539 1.00 0.00 O ATOM 1271 CB THR A 84 -15.440 -5.747 -2.787 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.965 -4.812 -1.838 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.703 -6.859 -2.056 1.00 0.00 C ATOM 0 H THR A 84 -13.307 -4.658 -2.093 1.00 0.00 H new ATOM 0 HA THR A 84 -14.121 -5.749 -4.495 1.00 0.00 H new ATOM 0 HB THR A 84 -16.260 -6.187 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.914 -5.002 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.385 -7.354 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.329 -7.584 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.866 -6.437 -1.500 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.262 -2.731 -3.974 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.978 -1.631 -4.593 1.00 0.00 C ATOM 1283 C GLY A 85 -15.340 -0.287 -4.300 1.00 0.00 C ATOM 1284 O GLY A 85 -16.033 0.682 -3.993 1.00 0.00 O ATOM 0 H GLY A 85 -14.755 -2.487 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.014 -1.786 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.008 -1.626 -4.237 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.015 -0.229 -4.394 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.307 1.010 -4.131 1.00 0.00 C ATOM 1290 C GLY A 86 -11.864 0.962 -4.593 1.00 0.00 C ATOM 1291 O GLY A 86 -11.324 -0.114 -4.849 1.00 0.00 O ATOM 0 H GLY A 86 -13.420 -1.018 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.819 1.831 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.336 1.222 -3.062 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.240 2.130 -4.701 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.851 2.216 -5.138 1.00 0.00 C ATOM 1297 C GLN A 87 -9.189 3.482 -4.603 1.00 0.00 C ATOM 1298 O GLN A 87 -9.850 4.500 -4.397 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.772 2.192 -6.665 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.390 3.414 -7.326 1.00 0.00 C ATOM 1301 CD GLN A 87 -11.905 3.379 -7.316 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.513 2.318 -7.168 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.526 4.542 -7.475 1.00 0.00 N ATOM 0 H GLN A 87 -11.673 3.029 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.318 1.353 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.727 2.116 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.275 1.297 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.048 4.312 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.039 3.482 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.984 5.398 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.545 4.580 -7.478 1.00 0.00 H new ATOM 1312 N SER A 88 -7.881 3.410 -4.379 1.00 0.00 N ATOM 1313 CA SER A 88 -7.130 4.549 -3.863 1.00 0.00 C ATOM 1314 C SER A 88 -5.727 4.591 -4.461 1.00 0.00 C ATOM 1315 O SER A 88 -5.229 3.588 -4.973 1.00 0.00 O ATOM 1316 CB SER A 88 -7.045 4.482 -2.337 1.00 0.00 C ATOM 1317 OG SER A 88 -6.535 5.691 -1.801 1.00 0.00 O ATOM 0 H SER A 88 -7.319 2.575 -4.547 1.00 0.00 H new ATOM 0 HA SER A 88 -7.656 5.459 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.034 4.286 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.405 3.651 -2.041 1.00 0.00 H new ATOM 0 HG SER A 88 -7.276 6.305 -1.616 1.00 0.00 H new ATOM 1323 N SER A 89 -5.096 5.758 -4.392 1.00 0.00 N ATOM 1324 CA SER A 89 -3.751 5.933 -4.929 1.00 0.00 C ATOM 1325 C SER A 89 -2.954 6.924 -4.087 1.00 0.00 C ATOM 1326 O SER A 89 -3.512 7.865 -3.523 1.00 0.00 O ATOM 1327 CB SER A 89 -3.818 6.416 -6.379 1.00 0.00 C ATOM 1328 OG SER A 89 -4.794 5.696 -7.112 1.00 0.00 O ATOM 0 H SER A 89 -5.494 6.597 -3.970 1.00 0.00 H new ATOM 0 HA SER A 89 -3.245 4.968 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.054 7.480 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.843 6.296 -6.851 1.00 0.00 H new ATOM 0 HG SER A 89 -4.408 4.854 -7.431 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.646 6.706 -4.007 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.771 7.580 -3.236 1.00 0.00 C ATOM 1336 C ALA A 90 0.584 7.740 -3.917 1.00 0.00 C ATOM 1337 O ALA A 90 0.962 6.934 -4.767 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.594 7.039 -1.825 1.00 0.00 C ATOM 0 H ALA A 90 -1.169 5.931 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.239 8.563 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.062 7.702 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.565 6.983 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.152 6.044 -1.870 1.00 0.00 H new ATOM 1344 N LYS A 91 1.311 8.785 -3.539 1.00 0.00 N ATOM 1345 CA LYS A 91 2.625 9.052 -4.113 1.00 0.00 C ATOM 1346 C LYS A 91 3.722 8.873 -3.067 1.00 0.00 C ATOM 1347 O LYS A 91 3.705 9.520 -2.019 1.00 0.00 O ATOM 1348 CB LYS A 91 2.677 10.470 -4.684 1.00 0.00 C ATOM 1349 CG LYS A 91 2.027 10.600 -6.051 1.00 0.00 C ATOM 1350 CD LYS A 91 2.589 11.779 -6.827 1.00 0.00 C ATOM 1351 CE LYS A 91 3.985 11.484 -7.354 1.00 0.00 C ATOM 1352 NZ LYS A 91 3.949 10.624 -8.569 1.00 0.00 N ATOM 0 H LYS A 91 1.013 9.462 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 91 2.794 8.337 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.183 11.150 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.718 10.786 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.184 9.682 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.950 10.721 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.927 12.017 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.620 12.658 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.491 12.421 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.570 10.991 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.920 10.446 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.489 9.720 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.413 11.105 -9.319 1.00 0.00 H new ATOM 1366 N LEU A 92 4.673 7.993 -3.359 1.00 0.00 N ATOM 1367 CA LEU A 92 5.779 7.731 -2.444 1.00 0.00 C ATOM 1368 C LEU A 92 7.100 8.215 -3.034 1.00 0.00 C ATOM 1369 O LEU A 92 7.529 7.747 -4.089 1.00 0.00 O ATOM 1370 CB LEU A 92 5.864 6.236 -2.132 1.00 0.00 C ATOM 1371 CG LEU A 92 6.830 5.838 -1.015 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.279 6.253 0.340 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.096 4.340 -1.049 1.00 0.00 C ATOM 0 H LEU A 92 4.701 7.449 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 92 5.593 8.279 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.867 5.883 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.156 5.711 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 92 7.774 6.358 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.980 5.962 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.141 7.334 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.321 5.761 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.785 4.075 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.158 3.801 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.535 4.070 -2.009 1.00 0.00 H new ATOM 1385 N SER A 93 7.741 9.154 -2.345 1.00 0.00 N ATOM 1386 CA SER A 93 9.012 9.703 -2.801 1.00 0.00 C ATOM 1387 C SER A 93 10.154 9.258 -1.891 1.00 0.00 C ATOM 1388 O SER A 93 10.073 9.381 -0.669 1.00 0.00 O ATOM 1389 CB SER A 93 8.946 11.230 -2.845 1.00 0.00 C ATOM 1390 OG SER A 93 10.096 11.773 -3.471 1.00 0.00 O ATOM 0 H SER A 93 7.401 9.550 -1.469 1.00 0.00 H new ATOM 0 HA SER A 93 9.203 9.326 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.052 11.543 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.860 11.623 -1.832 1.00 0.00 H new ATOM 0 HG SER A 93 10.028 12.751 -3.488 1.00 0.00 H new ATOM 1396 N VAL A 94 11.217 8.739 -2.497 1.00 0.00 N ATOM 1397 CA VAL A 94 12.376 8.276 -1.743 1.00 0.00 C ATOM 1398 C VAL A 94 13.555 9.229 -1.907 1.00 0.00 C ATOM 1399 O VAL A 94 14.035 9.453 -3.019 1.00 0.00 O ATOM 1400 CB VAL A 94 12.806 6.865 -2.185 1.00 0.00 C ATOM 1401 CG1 VAL A 94 14.017 6.402 -1.390 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.652 5.885 -2.033 1.00 0.00 C ATOM 0 H VAL A 94 11.300 8.629 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 94 12.080 8.246 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 94 13.085 6.902 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.306 5.403 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.845 7.091 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.769 6.379 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.973 4.893 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.340 5.849 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.815 6.210 -2.651 1.00 0.00 H new ATOM 1412 N ASP A 95 14.016 9.788 -0.794 1.00 0.00 N ATOM 1413 CA ASP A 95 15.141 10.716 -0.814 1.00 0.00 C ATOM 1414 C ASP A 95 16.371 10.094 -0.160 1.00 0.00 C ATOM 1415 O ASP A 95 16.255 9.298 0.773 1.00 0.00 O ATOM 1416 CB ASP A 95 14.769 12.016 -0.098 1.00 0.00 C ATOM 1417 CG ASP A 95 13.792 12.857 -0.895 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.724 12.678 -2.129 1.00 0.00 O ATOM 1419 OD2 ASP A 95 13.095 13.694 -0.284 1.00 0.00 O ATOM 0 H ASP A 95 13.628 9.615 0.133 1.00 0.00 H new ATOM 0 HA ASP A 95 15.379 10.938 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.333 11.781 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.673 12.595 0.090 1.00 0.00 H new ATOM 1424 N LEU A 96 17.547 10.461 -0.656 1.00 0.00 N ATOM 1425 CA LEU A 96 18.800 9.938 -0.121 1.00 0.00 C ATOM 1426 C LEU A 96 19.262 10.756 1.081 1.00 0.00 C ATOM 1427 O LEU A 96 19.745 11.879 0.933 1.00 0.00 O ATOM 1428 CB LEU A 96 19.881 9.944 -1.202 1.00 0.00 C ATOM 1429 CG LEU A 96 19.888 8.745 -2.151 1.00 0.00 C ATOM 1430 CD1 LEU A 96 20.808 9.006 -3.334 1.00 0.00 C ATOM 1431 CD2 LEU A 96 20.310 7.483 -1.413 1.00 0.00 C ATOM 0 H LEU A 96 17.660 11.118 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 96 18.627 8.912 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 96 19.768 10.851 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 96 20.854 10.002 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 96 18.876 8.599 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 96 20.800 8.142 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 96 20.461 9.885 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 96 21.823 9.178 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 96 20.309 6.640 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 96 21.312 7.618 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 96 19.611 7.286 -0.600 1.00 0.00 H new ATOM 1443 N LYS A 97 19.112 10.185 2.272 1.00 0.00 N ATOM 1444 CA LYS A 97 19.516 10.859 3.500 1.00 0.00 C ATOM 1445 C LYS A 97 21.007 10.667 3.760 1.00 0.00 C ATOM 1446 O LYS A 97 21.770 11.632 3.794 1.00 0.00 O ATOM 1447 CB LYS A 97 18.708 10.329 4.686 1.00 0.00 C ATOM 1448 CG LYS A 97 18.802 11.203 5.925 1.00 0.00 C ATOM 1449 CD LYS A 97 17.950 10.656 7.059 1.00 0.00 C ATOM 1450 CE LYS A 97 17.762 11.687 8.161 1.00 0.00 C ATOM 1451 NZ LYS A 97 19.044 12.004 8.850 1.00 0.00 N ATOM 0 H LYS A 97 18.713 9.257 2.412 1.00 0.00 H new ATOM 0 HA LYS A 97 19.320 11.925 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.662 10.241 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.055 9.326 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.841 11.268 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.480 12.216 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.977 10.354 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.420 9.763 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.343 12.599 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.042 11.313 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.873 12.710 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.432 11.139 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.724 12.385 8.161 1.00 0.00 H new ATOM 1465 N SER A 98 21.414 9.415 3.943 1.00 0.00 N ATOM 1466 CA SER A 98 22.814 9.097 4.202 1.00 0.00 C ATOM 1467 C SER A 98 23.259 7.894 3.376 1.00 0.00 C ATOM 1468 O SER A 98 22.451 7.253 2.706 1.00 0.00 O ATOM 1469 CB SER A 98 23.027 8.815 5.691 1.00 0.00 C ATOM 1470 OG SER A 98 22.857 9.992 6.462 1.00 0.00 O ATOM 0 H SER A 98 20.795 8.605 3.917 1.00 0.00 H new ATOM 0 HA SER A 98 23.417 9.958 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.323 8.053 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.028 8.414 5.849 1.00 0.00 H new ATOM 0 HG SER A 98 22.997 9.785 7.410 1.00 0.00 H new ATOM 1476 N GLY A 99 24.554 7.593 3.430 1.00 0.00 N ATOM 1477 CA GLY A 99 25.086 6.469 2.683 1.00 0.00 C ATOM 1478 C GLY A 99 26.295 5.848 3.354 1.00 0.00 C ATOM 1479 O GLY A 99 26.178 4.934 4.171 1.00 0.00 O ATOM 0 H GLY A 99 25.243 8.108 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.309 5.713 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 99 25.360 6.799 1.681 1.00 0.00 H new ATOM 1483 N PRO A 100 27.491 6.347 3.006 1.00 0.00 N ATOM 1484 CA PRO A 100 28.750 5.849 3.567 1.00 0.00 C ATOM 1485 C PRO A 100 28.915 6.217 5.038 1.00 0.00 C ATOM 1486 O PRO A 100 28.214 7.089 5.551 1.00 0.00 O ATOM 1487 CB PRO A 100 29.817 6.545 2.719 1.00 0.00 C ATOM 1488 CG PRO A 100 29.156 7.785 2.223 1.00 0.00 C ATOM 1489 CD PRO A 100 27.705 7.435 2.038 1.00 0.00 C ATOM 0 HA PRO A 100 28.806 4.761 3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 100 30.703 6.778 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 100 30.142 5.912 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 100 29.273 8.601 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 100 29.601 8.115 1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 100 27.057 8.287 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 100 27.496 7.112 1.018 1.00 0.00 H new ATOM 1497 N SER A 101 29.846 5.547 5.710 1.00 0.00 N ATOM 1498 CA SER A 101 30.100 5.802 7.123 1.00 0.00 C ATOM 1499 C SER A 101 30.666 7.204 7.329 1.00 0.00 C ATOM 1500 O SER A 101 31.860 7.437 7.145 1.00 0.00 O ATOM 1501 CB SER A 101 31.071 4.762 7.684 1.00 0.00 C ATOM 1502 OG SER A 101 30.376 3.624 8.166 1.00 0.00 O ATOM 0 H SER A 101 30.436 4.824 5.299 1.00 0.00 H new ATOM 0 HA SER A 101 29.152 5.729 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 101 31.775 4.461 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 101 31.656 5.204 8.491 1.00 0.00 H new ATOM 0 HG SER A 101 31.019 2.973 8.518 1.00 0.00 H new ATOM 1508 N SER A 102 29.797 8.135 7.711 1.00 0.00 N ATOM 1509 CA SER A 102 30.208 9.516 7.939 1.00 0.00 C ATOM 1510 C SER A 102 31.507 9.572 8.736 1.00 0.00 C ATOM 1511 O SER A 102 31.874 8.614 9.416 1.00 0.00 O ATOM 1512 CB SER A 102 29.109 10.282 8.678 1.00 0.00 C ATOM 1513 OG SER A 102 28.804 9.666 9.917 1.00 0.00 O ATOM 0 H SER A 102 28.805 7.958 7.869 1.00 0.00 H new ATOM 0 HA SER A 102 30.377 9.983 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 102 29.429 11.310 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 102 28.213 10.326 8.059 1.00 0.00 H new ATOM 0 HG SER A 102 28.100 10.175 10.371 1.00 0.00 H new ATOM 1519 N GLY A 103 32.201 10.703 8.648 1.00 0.00 N ATOM 1520 CA GLY A 103 33.452 10.865 9.365 1.00 0.00 C ATOM 1521 C GLY A 103 33.864 12.318 9.493 1.00 0.00 C ATOM 1522 O GLY A 103 33.232 13.087 10.217 1.00 0.00 O ATOM 0 H GLY A 103 31.919 11.510 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 103 33.356 10.429 10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 103 34.237 10.312 8.849 1.00 0.00 H new TER 1526 GLY A 103