USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 787 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 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0.946 USER MOD Set 2.2: A 70 THR OG1 : rot 148:sc= 0.947 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0479 (180deg=0) USER MOD Single : A 2 SER OG : rot 53:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.203 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -167:sc= -0.323 (180deg=-0.908) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -2.04 (180deg=-2.68!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -132:sc= -2.1 (180deg=-4.56!) USER MOD Single : A 77 SER OG : rot 81:sc= 0.0033 USER MOD Single : A 78 SER OG : rot 180:sc= -0.377 USER MOD Single : A 79 GLN : amide:sc= -0.911! X(o=-0.91!,f=-0.85) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 121:sc= 0.343 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0187) USER MOD Single : A 98 ASN : amide:sc= -2.58! C(o=-2.6!,f=-2.5!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 15:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.753 -12.898 -9.876 1.00 0.00 N ATOM 2 CA GLY A 1 -41.899 -12.197 -8.935 1.00 0.00 C ATOM 3 C GLY A 1 -41.437 -13.087 -7.798 1.00 0.00 C ATOM 4 O GLY A 1 -42.103 -14.064 -7.455 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.234 -13.059 -10.763 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.038 -13.813 -9.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.600 -12.326 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.029 -11.804 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.438 -11.342 -8.527 1.00 0.00 H new ATOM 8 N SER A 2 -40.292 -12.750 -7.213 1.00 0.00 N ATOM 9 CA SER A 2 -39.738 -13.529 -6.111 1.00 0.00 C ATOM 10 C SER A 2 -38.595 -12.778 -5.436 1.00 0.00 C ATOM 11 O SER A 2 -38.083 -11.794 -5.970 1.00 0.00 O ATOM 12 CB SER A 2 -39.245 -14.886 -6.616 1.00 0.00 C ATOM 13 OG SER A 2 -40.294 -15.838 -6.627 1.00 0.00 O ATOM 0 H SER A 2 -39.730 -11.943 -7.483 1.00 0.00 H new ATOM 0 HA SER A 2 -40.528 -13.688 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.838 -14.777 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.434 -15.241 -5.980 1.00 0.00 H new ATOM 0 HG SER A 2 -41.060 -15.475 -7.119 1.00 0.00 H new ATOM 19 N SER A 3 -38.199 -13.251 -4.258 1.00 0.00 N ATOM 20 CA SER A 3 -37.118 -12.623 -3.507 1.00 0.00 C ATOM 21 C SER A 3 -36.763 -13.448 -2.274 1.00 0.00 C ATOM 22 O SER A 3 -37.459 -14.403 -1.931 1.00 0.00 O ATOM 23 CB SER A 3 -37.516 -11.206 -3.089 1.00 0.00 C ATOM 24 OG SER A 3 -38.512 -11.231 -2.081 1.00 0.00 O ATOM 0 H SER A 3 -38.610 -14.066 -3.804 1.00 0.00 H new ATOM 0 HA SER A 3 -36.242 -12.571 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.639 -10.671 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.886 -10.658 -3.956 1.00 0.00 H new ATOM 0 HG SER A 3 -38.747 -10.313 -1.831 1.00 0.00 H new ATOM 30 N GLY A 4 -35.674 -13.072 -1.611 1.00 0.00 N ATOM 31 CA GLY A 4 -35.244 -13.787 -0.424 1.00 0.00 C ATOM 32 C GLY A 4 -34.113 -13.082 0.300 1.00 0.00 C ATOM 33 O GLY A 4 -33.576 -12.089 -0.192 1.00 0.00 O ATOM 0 H GLY A 4 -35.082 -12.285 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.090 -13.901 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.922 -14.790 -0.704 1.00 0.00 H new ATOM 37 N SER A 5 -33.751 -13.596 1.471 1.00 0.00 N ATOM 38 CA SER A 5 -32.680 -13.006 2.266 1.00 0.00 C ATOM 39 C SER A 5 -32.010 -14.061 3.141 1.00 0.00 C ATOM 40 O SER A 5 -32.678 -14.908 3.733 1.00 0.00 O ATOM 41 CB SER A 5 -33.228 -11.875 3.139 1.00 0.00 C ATOM 42 OG SER A 5 -33.178 -10.634 2.456 1.00 0.00 O ATOM 0 H SER A 5 -34.183 -14.419 1.890 1.00 0.00 H new ATOM 0 HA SER A 5 -31.935 -12.599 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.257 -12.096 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.650 -11.810 4.061 1.00 0.00 H new ATOM 0 HG SER A 5 -33.285 -10.786 1.494 1.00 0.00 H new ATOM 48 N SER A 6 -30.684 -14.001 3.218 1.00 0.00 N ATOM 49 CA SER A 6 -29.921 -14.953 4.017 1.00 0.00 C ATOM 50 C SER A 6 -28.442 -14.580 4.040 1.00 0.00 C ATOM 51 O SER A 6 -27.904 -14.067 3.060 1.00 0.00 O ATOM 52 CB SER A 6 -30.093 -16.369 3.465 1.00 0.00 C ATOM 53 OG SER A 6 -29.523 -16.485 2.173 1.00 0.00 O ATOM 0 H SER A 6 -30.116 -13.303 2.737 1.00 0.00 H new ATOM 0 HA SER A 6 -30.302 -14.920 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.623 -17.085 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.153 -16.620 3.422 1.00 0.00 H new ATOM 0 HG SER A 6 -29.644 -17.400 1.843 1.00 0.00 H new ATOM 59 N GLY A 7 -27.789 -14.842 5.169 1.00 0.00 N ATOM 60 CA GLY A 7 -26.379 -14.527 5.300 1.00 0.00 C ATOM 61 C GLY A 7 -25.717 -15.291 6.431 1.00 0.00 C ATOM 62 O GLY A 7 -26.348 -15.576 7.449 1.00 0.00 O ATOM 0 H GLY A 7 -28.212 -15.267 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.870 -14.756 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.263 -13.457 5.472 1.00 0.00 H new ATOM 66 N ASP A 8 -24.444 -15.624 6.251 1.00 0.00 N ATOM 67 CA ASP A 8 -23.697 -16.361 7.264 1.00 0.00 C ATOM 68 C ASP A 8 -22.195 -16.259 7.013 1.00 0.00 C ATOM 69 O ASP A 8 -21.752 -16.148 5.870 1.00 0.00 O ATOM 70 CB ASP A 8 -24.125 -17.829 7.279 1.00 0.00 C ATOM 71 CG ASP A 8 -23.562 -18.608 6.107 1.00 0.00 C ATOM 72 OD1 ASP A 8 -23.424 -18.019 5.014 1.00 0.00 O ATOM 73 OD2 ASP A 8 -23.257 -19.806 6.283 1.00 0.00 O ATOM 0 H ASP A 8 -23.908 -15.396 5.414 1.00 0.00 H new ATOM 0 HA ASP A 8 -23.917 -15.917 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -23.796 -18.291 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -25.213 -17.887 7.261 1.00 0.00 H new ATOM 78 N LYS A 9 -21.417 -16.295 8.089 1.00 0.00 N ATOM 79 CA LYS A 9 -19.965 -16.207 7.987 1.00 0.00 C ATOM 80 C LYS A 9 -19.298 -16.717 9.261 1.00 0.00 C ATOM 81 O LYS A 9 -19.414 -16.102 10.322 1.00 0.00 O ATOM 82 CB LYS A 9 -19.539 -14.762 7.719 1.00 0.00 C ATOM 83 CG LYS A 9 -19.890 -13.805 8.844 1.00 0.00 C ATOM 84 CD LYS A 9 -20.088 -12.389 8.331 1.00 0.00 C ATOM 85 CE LYS A 9 -20.863 -11.538 9.326 1.00 0.00 C ATOM 86 NZ LYS A 9 -21.529 -10.381 8.666 1.00 0.00 N ATOM 0 H LYS A 9 -21.768 -16.385 9.043 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.645 -16.834 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.462 -14.735 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.012 -14.417 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.800 -14.144 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.097 -13.814 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.117 -11.932 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.622 -12.416 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.613 -12.153 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.185 -11.175 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.046 -9.826 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.812 -9.780 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.195 -10.728 7.946 1.00 0.00 H new ATOM 100 N ILE A 10 -18.600 -17.841 9.148 1.00 0.00 N ATOM 101 CA ILE A 10 -17.913 -18.431 10.291 1.00 0.00 C ATOM 102 C ILE A 10 -16.683 -19.216 9.848 1.00 0.00 C ATOM 103 O ILE A 10 -16.782 -20.139 9.040 1.00 0.00 O ATOM 104 CB ILE A 10 -18.843 -19.364 11.088 1.00 0.00 C ATOM 105 CG1 ILE A 10 -18.146 -19.852 12.359 1.00 0.00 C ATOM 106 CG2 ILE A 10 -19.275 -20.542 10.227 1.00 0.00 C ATOM 107 CD1 ILE A 10 -18.028 -18.790 13.429 1.00 0.00 C ATOM 0 H ILE A 10 -18.495 -18.362 8.277 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.604 -17.606 10.932 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.733 -18.805 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.696 -20.702 12.762 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.149 -20.210 12.102 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.932 -21.193 10.804 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.807 -20.175 9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.396 -21.103 9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.524 -19.207 14.301 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.452 -17.948 13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.023 -18.448 13.714 1.00 0.00 H new ATOM 119 N GLU A 11 -15.524 -18.842 10.383 1.00 0.00 N ATOM 120 CA GLU A 11 -14.275 -19.513 10.043 1.00 0.00 C ATOM 121 C GLU A 11 -13.195 -19.207 11.076 1.00 0.00 C ATOM 122 O GLU A 11 -13.065 -18.073 11.538 1.00 0.00 O ATOM 123 CB GLU A 11 -13.802 -19.083 8.652 1.00 0.00 C ATOM 124 CG GLU A 11 -14.394 -19.912 7.525 1.00 0.00 C ATOM 125 CD GLU A 11 -14.352 -21.401 7.811 1.00 0.00 C ATOM 126 OE1 GLU A 11 -13.423 -21.843 8.518 1.00 0.00 O ATOM 127 OE2 GLU A 11 -15.249 -22.123 7.328 1.00 0.00 O ATOM 0 H GLU A 11 -15.425 -18.079 11.053 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.458 -20.588 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.062 -18.036 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.715 -19.151 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.427 -19.607 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.849 -19.707 6.604 1.00 0.00 H new ATOM 134 N SER A 12 -12.421 -20.227 11.434 1.00 0.00 N ATOM 135 CA SER A 12 -11.355 -20.070 12.416 1.00 0.00 C ATOM 136 C SER A 12 -10.217 -21.049 12.145 1.00 0.00 C ATOM 137 O SER A 12 -10.358 -22.255 12.351 1.00 0.00 O ATOM 138 CB SER A 12 -11.899 -20.282 13.830 1.00 0.00 C ATOM 139 OG SER A 12 -10.956 -19.876 14.806 1.00 0.00 O ATOM 0 H SER A 12 -12.513 -21.171 11.058 1.00 0.00 H new ATOM 0 HA SER A 12 -10.966 -19.055 12.333 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.823 -19.718 13.956 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.146 -21.334 13.974 1.00 0.00 H new ATOM 0 HG SER A 12 -11.329 -20.020 15.701 1.00 0.00 H new ATOM 145 N LYS A 13 -9.090 -20.523 11.680 1.00 0.00 N ATOM 146 CA LYS A 13 -7.926 -21.348 11.381 1.00 0.00 C ATOM 147 C LYS A 13 -6.743 -20.963 12.264 1.00 0.00 C ATOM 148 O LYS A 13 -6.320 -19.806 12.282 1.00 0.00 O ATOM 149 CB LYS A 13 -7.541 -21.207 9.906 1.00 0.00 C ATOM 150 CG LYS A 13 -7.686 -19.793 9.372 1.00 0.00 C ATOM 151 CD LYS A 13 -7.220 -19.691 7.929 1.00 0.00 C ATOM 152 CE LYS A 13 -5.726 -19.946 7.806 1.00 0.00 C ATOM 153 NZ LYS A 13 -5.203 -19.544 6.471 1.00 0.00 N ATOM 0 H LYS A 13 -8.958 -19.527 11.502 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.187 -22.386 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.508 -21.531 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.163 -21.876 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.728 -19.482 9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.107 -19.108 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.764 -20.411 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.454 -18.700 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.198 -19.394 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.523 -21.004 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.181 -19.734 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.688 -20.088 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.373 -18.529 6.323 1.00 0.00 H new ATOM 167 N LEU A 14 -6.214 -21.938 12.994 1.00 0.00 N ATOM 168 CA LEU A 14 -5.079 -21.701 13.879 1.00 0.00 C ATOM 169 C LEU A 14 -3.845 -22.458 13.397 1.00 0.00 C ATOM 170 O LEU A 14 -3.525 -23.534 13.905 1.00 0.00 O ATOM 171 CB LEU A 14 -5.424 -22.124 15.308 1.00 0.00 C ATOM 172 CG LEU A 14 -6.092 -21.060 16.180 1.00 0.00 C ATOM 173 CD1 LEU A 14 -6.955 -21.711 17.249 1.00 0.00 C ATOM 174 CD2 LEU A 14 -5.045 -20.156 16.814 1.00 0.00 C ATOM 0 H LEU A 14 -6.553 -22.900 12.991 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.857 -20.634 13.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.082 -22.991 15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.507 -22.447 15.802 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.735 -20.449 15.546 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.422 -20.938 17.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.728 -22.315 16.774 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.334 -22.347 17.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.538 -19.405 17.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.376 -20.753 17.434 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.469 -19.662 16.032 1.00 0.00 H new ATOM 186 N LEU A 15 -3.154 -21.888 12.416 1.00 0.00 N ATOM 187 CA LEU A 15 -1.953 -22.508 11.866 1.00 0.00 C ATOM 188 C LEU A 15 -1.036 -21.460 11.243 1.00 0.00 C ATOM 189 O LEU A 15 -1.465 -20.347 10.939 1.00 0.00 O ATOM 190 CB LEU A 15 -2.331 -23.558 10.819 1.00 0.00 C ATOM 191 CG LEU A 15 -2.783 -23.020 9.461 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.582 -22.747 8.568 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.737 -23.997 8.791 1.00 0.00 C ATOM 0 H LEU A 15 -3.404 -20.998 11.985 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.418 -22.994 12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.472 -24.210 10.661 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.130 -24.177 11.226 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.311 -22.080 9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.923 -22.365 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.936 -22.009 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.025 -23.671 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.048 -23.598 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.234 -24.953 8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.613 -24.142 9.423 1.00 0.00 H new ATOM 205 N ALA A 16 0.228 -21.824 11.056 1.00 0.00 N ATOM 206 CA ALA A 16 1.205 -20.917 10.466 1.00 0.00 C ATOM 207 C ALA A 16 1.847 -21.532 9.227 1.00 0.00 C ATOM 208 O ALA A 16 2.798 -22.309 9.328 1.00 0.00 O ATOM 209 CB ALA A 16 2.270 -20.551 11.488 1.00 0.00 C ATOM 0 H ALA A 16 0.600 -22.741 11.305 1.00 0.00 H new ATOM 0 HA ALA A 16 0.684 -20.010 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.993 -19.873 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.802 -20.062 12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.780 -21.455 11.822 1.00 0.00 H new ATOM 215 N LYS A 17 1.322 -21.182 8.058 1.00 0.00 N ATOM 216 CA LYS A 17 1.845 -21.699 6.798 1.00 0.00 C ATOM 217 C LYS A 17 1.265 -20.932 5.614 1.00 0.00 C ATOM 218 O LYS A 17 0.048 -20.796 5.484 1.00 0.00 O ATOM 219 CB LYS A 17 1.523 -23.189 6.662 1.00 0.00 C ATOM 220 CG LYS A 17 1.734 -23.731 5.259 1.00 0.00 C ATOM 221 CD LYS A 17 1.054 -25.077 5.073 1.00 0.00 C ATOM 222 CE LYS A 17 0.700 -25.325 3.615 1.00 0.00 C ATOM 223 NZ LYS A 17 -0.258 -26.455 3.461 1.00 0.00 N ATOM 0 H LYS A 17 0.534 -20.542 7.956 1.00 0.00 H new ATOM 0 HA LYS A 17 2.927 -21.566 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.146 -23.752 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.487 -23.356 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.342 -23.021 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.802 -23.832 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.711 -25.870 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.149 -25.116 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.267 -24.421 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.608 -25.540 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.474 -26.592 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.165 -27.324 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.135 -26.239 3.977 1.00 0.00 H new ATOM 237 N LYS A 18 2.144 -20.435 4.750 1.00 0.00 N ATOM 238 CA LYS A 18 1.720 -19.684 3.574 1.00 0.00 C ATOM 239 C LYS A 18 2.576 -20.042 2.363 1.00 0.00 C ATOM 240 O LYS A 18 3.620 -20.680 2.496 1.00 0.00 O ATOM 241 CB LYS A 18 1.805 -18.181 3.845 1.00 0.00 C ATOM 242 CG LYS A 18 3.175 -17.588 3.565 1.00 0.00 C ATOM 243 CD LYS A 18 3.204 -16.095 3.844 1.00 0.00 C ATOM 244 CE LYS A 18 4.600 -15.520 3.660 1.00 0.00 C ATOM 245 NZ LYS A 18 4.685 -14.108 4.124 1.00 0.00 N ATOM 0 H LYS A 18 3.155 -20.539 4.842 1.00 0.00 H new ATOM 0 HA LYS A 18 0.685 -19.950 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.064 -17.668 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.543 -17.993 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.922 -18.089 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.446 -17.770 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.509 -15.586 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.864 -15.908 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.318 -16.127 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.879 -15.574 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.652 -13.753 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.018 -13.523 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.444 -14.060 5.135 1.00 0.00 H new ATOM 259 N ALA A 19 2.128 -19.625 1.183 1.00 0.00 N ATOM 260 CA ALA A 19 2.855 -19.898 -0.050 1.00 0.00 C ATOM 261 C ALA A 19 3.386 -18.611 -0.671 1.00 0.00 C ATOM 262 O ALA A 19 2.865 -17.526 -0.414 1.00 0.00 O ATOM 263 CB ALA A 19 1.962 -20.634 -1.038 1.00 0.00 C ATOM 0 H ALA A 19 1.265 -19.097 1.055 1.00 0.00 H new ATOM 0 HA ALA A 19 3.708 -20.532 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.518 -20.831 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.636 -21.578 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.091 -20.021 -1.268 1.00 0.00 H new ATOM 269 N GLU A 20 4.426 -18.739 -1.490 1.00 0.00 N ATOM 270 CA GLU A 20 5.028 -17.584 -2.146 1.00 0.00 C ATOM 271 C GLU A 20 4.036 -16.922 -3.099 1.00 0.00 C ATOM 272 O GLU A 20 3.228 -17.596 -3.737 1.00 0.00 O ATOM 273 CB GLU A 20 6.286 -18.001 -2.910 1.00 0.00 C ATOM 274 CG GLU A 20 7.521 -18.114 -2.034 1.00 0.00 C ATOM 275 CD GLU A 20 7.763 -16.868 -1.204 1.00 0.00 C ATOM 276 OE1 GLU A 20 7.510 -15.756 -1.714 1.00 0.00 O ATOM 277 OE2 GLU A 20 8.206 -17.005 -0.044 1.00 0.00 O ATOM 0 H GLU A 20 4.869 -19.630 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 20 5.303 -16.863 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.105 -18.961 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.477 -17.276 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.414 -18.973 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.392 -18.302 -2.662 1.00 0.00 H new ATOM 284 N VAL A 21 4.105 -15.598 -3.189 1.00 0.00 N ATOM 285 CA VAL A 21 3.215 -14.844 -4.063 1.00 0.00 C ATOM 286 C VAL A 21 3.991 -14.171 -5.190 1.00 0.00 C ATOM 287 O VAL A 21 5.187 -13.911 -5.064 1.00 0.00 O ATOM 288 CB VAL A 21 2.435 -13.771 -3.280 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.525 -14.418 -2.248 1.00 0.00 C ATOM 290 CG2 VAL A 21 3.394 -12.792 -2.619 1.00 0.00 C ATOM 0 H VAL A 21 4.768 -15.025 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 21 2.509 -15.558 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 21 1.811 -13.216 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.982 -13.644 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.815 -15.075 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.125 -15.000 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.826 -12.041 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.045 -13.330 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.999 -12.303 -3.383 1.00 0.00 H new ATOM 300 N ASN A 22 3.302 -13.892 -6.292 1.00 0.00 N ATOM 301 CA ASN A 22 3.927 -13.250 -7.442 1.00 0.00 C ATOM 302 C ASN A 22 3.439 -11.812 -7.594 1.00 0.00 C ATOM 303 O ASN A 22 3.218 -11.333 -8.706 1.00 0.00 O ATOM 304 CB ASN A 22 3.627 -14.039 -8.718 1.00 0.00 C ATOM 305 CG ASN A 22 2.164 -14.421 -8.832 1.00 0.00 C ATOM 306 OD1 ASN A 22 1.680 -15.290 -8.107 1.00 0.00 O ATOM 307 ND2 ASN A 22 1.453 -13.772 -9.746 1.00 0.00 N ATOM 0 H ASN A 22 2.311 -14.101 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 22 5.004 -13.234 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.913 -13.444 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.238 -14.942 -8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.463 -13.987 -9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.896 -13.059 -10.325 1.00 0.00 H new ATOM 314 N THR A 23 3.274 -11.127 -6.466 1.00 0.00 N ATOM 315 CA THR A 23 2.813 -9.745 -6.473 1.00 0.00 C ATOM 316 C THR A 23 3.887 -8.804 -5.938 1.00 0.00 C ATOM 317 O THR A 23 5.007 -9.226 -5.651 1.00 0.00 O ATOM 318 CB THR A 23 1.533 -9.576 -5.632 1.00 0.00 C ATOM 319 OG1 THR A 23 0.982 -8.270 -5.835 1.00 0.00 O ATOM 320 CG2 THR A 23 1.826 -9.783 -4.153 1.00 0.00 C ATOM 0 H THR A 23 3.453 -11.507 -5.537 1.00 0.00 H new ATOM 0 HA THR A 23 2.594 -9.490 -7.510 1.00 0.00 H new ATOM 0 HB THR A 23 0.812 -10.328 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.168 -8.171 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.908 -9.659 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.218 -10.788 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.562 -9.051 -3.822 1.00 0.00 H new ATOM 328 N ILE A 24 3.537 -7.529 -5.806 1.00 0.00 N ATOM 329 CA ILE A 24 4.472 -6.529 -5.304 1.00 0.00 C ATOM 330 C ILE A 24 4.678 -6.676 -3.800 1.00 0.00 C ATOM 331 O ILE A 24 3.727 -6.768 -3.024 1.00 0.00 O ATOM 332 CB ILE A 24 3.984 -5.100 -5.606 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.483 -5.004 -7.049 1.00 0.00 C ATOM 334 CG2 ILE A 24 5.100 -4.096 -5.359 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.383 -3.983 -7.239 1.00 0.00 C ATOM 0 H ILE A 24 2.614 -7.164 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 24 5.419 -6.697 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 24 3.156 -4.865 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.320 -4.750 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.119 -5.982 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.740 -3.091 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.415 -4.151 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.946 -4.326 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.077 -3.969 -8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.530 -4.247 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.749 -2.996 -6.955 1.00 0.00 H new ATOM 347 N PRO A 25 5.951 -6.697 -3.377 1.00 0.00 N ATOM 348 CA PRO A 25 6.313 -6.830 -1.962 1.00 0.00 C ATOM 349 C PRO A 25 5.962 -5.585 -1.155 1.00 0.00 C ATOM 350 O PRO A 25 6.287 -5.489 0.028 1.00 0.00 O ATOM 351 CB PRO A 25 7.829 -7.033 -2.002 1.00 0.00 C ATOM 352 CG PRO A 25 8.264 -6.391 -3.274 1.00 0.00 C ATOM 353 CD PRO A 25 7.135 -6.593 -4.246 1.00 0.00 C ATOM 0 HA PRO A 25 5.773 -7.644 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.313 -6.573 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.087 -8.092 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.467 -5.330 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.184 -6.843 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.050 -5.759 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.275 -7.494 -4.843 1.00 0.00 H new ATOM 361 N GLY A 26 5.295 -4.634 -1.802 1.00 0.00 N ATOM 362 CA GLY A 26 4.911 -3.408 -1.128 1.00 0.00 C ATOM 363 C GLY A 26 3.871 -2.622 -1.901 1.00 0.00 C ATOM 364 O GLY A 26 3.215 -3.158 -2.794 1.00 0.00 O ATOM 0 H GLY A 26 5.014 -4.691 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.520 -3.648 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.794 -2.787 -0.979 1.00 0.00 H new ATOM 368 N PHE A 27 3.718 -1.347 -1.557 1.00 0.00 N ATOM 369 CA PHE A 27 2.748 -0.487 -2.224 1.00 0.00 C ATOM 370 C PHE A 27 2.882 0.956 -1.746 1.00 0.00 C ATOM 371 O PHE A 27 2.954 1.220 -0.546 1.00 0.00 O ATOM 372 CB PHE A 27 1.326 -0.991 -1.968 1.00 0.00 C ATOM 373 CG PHE A 27 0.263 -0.116 -2.568 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.063 -0.088 -3.939 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.537 0.677 -1.761 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.915 0.717 -4.493 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.516 1.484 -2.310 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.706 1.503 -3.678 1.00 0.00 C ATOM 0 H PHE A 27 4.253 -0.887 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 27 2.949 -0.517 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.228 -1.998 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.162 -1.062 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.677 -0.701 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.394 0.664 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.060 0.731 -5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.132 2.099 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.471 2.131 -4.109 1.00 0.00 H new ATOM 388 N ASP A 28 2.916 1.886 -2.694 1.00 0.00 N ATOM 389 CA ASP A 28 3.041 3.303 -2.372 1.00 0.00 C ATOM 390 C ASP A 28 1.793 4.070 -2.799 1.00 0.00 C ATOM 391 O ASP A 28 1.395 5.038 -2.153 1.00 0.00 O ATOM 392 CB ASP A 28 4.277 3.895 -3.050 1.00 0.00 C ATOM 393 CG ASP A 28 5.569 3.417 -2.419 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.625 3.332 -1.174 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.525 3.129 -3.169 1.00 0.00 O ATOM 0 H ASP A 28 2.859 1.684 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 28 3.150 3.396 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.271 3.627 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.231 4.983 -2.997 1.00 0.00 H new ATOM 400 N GLY A 29 1.181 3.630 -3.895 1.00 0.00 N ATOM 401 CA GLY A 29 -0.014 4.287 -4.391 1.00 0.00 C ATOM 402 C GLY A 29 -0.896 4.808 -3.273 1.00 0.00 C ATOM 403 O GLY A 29 -1.616 4.042 -2.633 1.00 0.00 O ATOM 0 H GLY A 29 1.492 2.831 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.273 5.115 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.583 3.586 -5.002 1.00 0.00 H new ATOM 407 N VAL A 30 -0.839 6.114 -3.036 1.00 0.00 N ATOM 408 CA VAL A 30 -1.639 6.737 -1.988 1.00 0.00 C ATOM 409 C VAL A 30 -3.121 6.436 -2.176 1.00 0.00 C ATOM 410 O VAL A 30 -3.670 6.619 -3.262 1.00 0.00 O ATOM 411 CB VAL A 30 -1.435 8.263 -1.958 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.703 8.864 -3.330 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.330 8.899 -0.905 1.00 0.00 C ATOM 0 H VAL A 30 -0.247 6.762 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.303 6.315 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.398 8.469 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.554 9.943 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.017 8.430 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.730 8.650 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.173 9.978 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.373 8.686 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.086 8.490 0.075 1.00 0.00 H new ATOM 423 N VAL A 31 -3.766 5.974 -1.109 1.00 0.00 N ATOM 424 CA VAL A 31 -5.186 5.649 -1.155 1.00 0.00 C ATOM 425 C VAL A 31 -6.035 6.910 -1.263 1.00 0.00 C ATOM 426 O VAL A 31 -5.598 8.000 -0.892 1.00 0.00 O ATOM 427 CB VAL A 31 -5.621 4.855 0.092 1.00 0.00 C ATOM 428 CG1 VAL A 31 -6.969 4.190 -0.142 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.566 3.825 0.462 1.00 0.00 C ATOM 0 H VAL A 31 -3.327 5.817 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.341 5.033 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.725 5.549 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.260 3.634 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.719 4.952 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.896 3.507 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.890 3.274 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.427 3.132 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.624 4.330 0.675 1.00 0.00 H new ATOM 439 N LYS A 32 -7.253 6.756 -1.772 1.00 0.00 N ATOM 440 CA LYS A 32 -8.166 7.882 -1.928 1.00 0.00 C ATOM 441 C LYS A 32 -9.527 7.567 -1.314 1.00 0.00 C ATOM 442 O LYS A 32 -10.182 8.444 -0.752 1.00 0.00 O ATOM 443 CB LYS A 32 -8.331 8.230 -3.409 1.00 0.00 C ATOM 444 CG LYS A 32 -7.116 7.886 -4.253 1.00 0.00 C ATOM 445 CD LYS A 32 -6.925 8.880 -5.387 1.00 0.00 C ATOM 446 CE LYS A 32 -6.148 10.105 -4.930 1.00 0.00 C ATOM 447 NZ LYS A 32 -6.272 11.232 -5.895 1.00 0.00 N ATOM 0 H LYS A 32 -7.631 5.861 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.740 8.739 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.199 7.701 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.538 9.296 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.226 7.875 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.229 6.882 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.396 8.398 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.898 9.187 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.512 10.422 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.097 9.844 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.729 12.048 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.902 10.938 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.273 11.498 -5.991 1.00 0.00 H new ATOM 461 N ASP A 33 -9.945 6.311 -1.426 1.00 0.00 N ATOM 462 CA ASP A 33 -11.226 5.881 -0.879 1.00 0.00 C ATOM 463 C ASP A 33 -11.112 4.495 -0.252 1.00 0.00 C ATOM 464 O ASP A 33 -10.368 3.643 -0.736 1.00 0.00 O ATOM 465 CB ASP A 33 -12.294 5.871 -1.974 1.00 0.00 C ATOM 466 CG ASP A 33 -12.846 7.255 -2.256 1.00 0.00 C ATOM 467 OD1 ASP A 33 -13.589 7.782 -1.402 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.536 7.810 -3.331 1.00 0.00 O ATOM 0 H ASP A 33 -9.415 5.573 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.517 6.589 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.868 5.459 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.109 5.211 -1.677 1.00 0.00 H new ATOM 473 N ALA A 34 -11.853 4.277 0.830 1.00 0.00 N ATOM 474 CA ALA A 34 -11.835 2.995 1.523 1.00 0.00 C ATOM 475 C ALA A 34 -11.885 1.836 0.534 1.00 0.00 C ATOM 476 O ALA A 34 -11.184 0.838 0.698 1.00 0.00 O ATOM 477 CB ALA A 34 -12.998 2.908 2.501 1.00 0.00 C ATOM 0 H ALA A 34 -12.473 4.972 1.245 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.900 2.923 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.973 1.945 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.917 3.710 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.938 3.006 1.958 1.00 0.00 H new ATOM 483 N GLU A 35 -12.719 1.974 -0.492 1.00 0.00 N ATOM 484 CA GLU A 35 -12.860 0.936 -1.506 1.00 0.00 C ATOM 485 C GLU A 35 -11.520 0.643 -2.175 1.00 0.00 C ATOM 486 O GLU A 35 -11.197 -0.510 -2.460 1.00 0.00 O ATOM 487 CB GLU A 35 -13.887 1.357 -2.560 1.00 0.00 C ATOM 488 CG GLU A 35 -15.274 1.609 -1.992 1.00 0.00 C ATOM 489 CD GLU A 35 -16.374 1.338 -2.999 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.336 1.937 -4.094 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.274 0.527 -2.692 1.00 0.00 O ATOM 0 H GLU A 35 -13.307 2.794 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.207 0.028 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.536 2.262 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.951 0.581 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.424 0.977 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.342 2.643 -1.655 1.00 0.00 H new ATOM 498 N GLU A 36 -10.746 1.695 -2.422 1.00 0.00 N ATOM 499 CA GLU A 36 -9.442 1.550 -3.059 1.00 0.00 C ATOM 500 C GLU A 36 -8.433 0.929 -2.097 1.00 0.00 C ATOM 501 O GLU A 36 -7.539 0.191 -2.510 1.00 0.00 O ATOM 502 CB GLU A 36 -8.932 2.909 -3.543 1.00 0.00 C ATOM 503 CG GLU A 36 -7.521 2.865 -4.103 1.00 0.00 C ATOM 504 CD GLU A 36 -7.486 2.472 -5.567 1.00 0.00 C ATOM 505 OE1 GLU A 36 -7.717 1.282 -5.868 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.227 3.355 -6.412 1.00 0.00 O ATOM 0 H GLU A 36 -10.999 2.656 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.557 0.887 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.607 3.289 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.963 3.616 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.056 3.843 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.927 2.156 -3.526 1.00 0.00 H new ATOM 513 N ALA A 37 -8.584 1.234 -0.812 1.00 0.00 N ATOM 514 CA ALA A 37 -7.688 0.705 0.209 1.00 0.00 C ATOM 515 C ALA A 37 -7.824 -0.809 0.327 1.00 0.00 C ATOM 516 O ALA A 37 -6.838 -1.516 0.536 1.00 0.00 O ATOM 517 CB ALA A 37 -7.966 1.369 1.549 1.00 0.00 C ATOM 0 H ALA A 37 -9.318 1.845 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.664 0.929 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.290 0.965 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.811 2.444 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.997 1.174 1.845 1.00 0.00 H new ATOM 523 N VAL A 38 -9.052 -1.301 0.194 1.00 0.00 N ATOM 524 CA VAL A 38 -9.316 -2.732 0.286 1.00 0.00 C ATOM 525 C VAL A 38 -8.696 -3.482 -0.887 1.00 0.00 C ATOM 526 O VAL A 38 -7.979 -4.465 -0.699 1.00 0.00 O ATOM 527 CB VAL A 38 -10.828 -3.022 0.325 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.092 -4.509 0.145 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.433 -2.519 1.627 1.00 0.00 C ATOM 0 H VAL A 38 -9.879 -0.730 0.022 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.863 -3.078 1.215 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.303 -2.491 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.166 -4.694 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.695 -4.835 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.605 -5.065 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.502 -2.732 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.955 -3.021 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.277 -1.443 1.709 1.00 0.00 H new ATOM 539 N ARG A 39 -8.976 -3.011 -2.098 1.00 0.00 N ATOM 540 CA ARG A 39 -8.446 -3.637 -3.303 1.00 0.00 C ATOM 541 C ARG A 39 -6.927 -3.769 -3.224 1.00 0.00 C ATOM 542 O ARG A 39 -6.380 -4.859 -3.390 1.00 0.00 O ATOM 543 CB ARG A 39 -8.835 -2.825 -4.539 1.00 0.00 C ATOM 544 CG ARG A 39 -10.298 -2.966 -4.925 1.00 0.00 C ATOM 545 CD ARG A 39 -10.515 -2.675 -6.402 1.00 0.00 C ATOM 546 NE ARG A 39 -10.160 -3.815 -7.243 1.00 0.00 N ATOM 547 CZ ARG A 39 -10.374 -3.856 -8.553 1.00 0.00 C ATOM 548 NH1 ARG A 39 -10.937 -2.826 -9.169 1.00 0.00 N ATOM 549 NH2 ARG A 39 -10.023 -4.929 -9.251 1.00 0.00 N ATOM 0 H ARG A 39 -9.567 -2.198 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.876 -4.635 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.616 -1.773 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.215 -3.138 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.640 -3.976 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.901 -2.283 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.559 -2.412 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.918 -1.811 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.724 -4.624 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.207 -1.999 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.100 -2.861 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.588 -5.723 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.188 -4.959 -10.257 1.00 0.00 H new ATOM 563 N ILE A 40 -6.254 -2.651 -2.971 1.00 0.00 N ATOM 564 CA ILE A 40 -4.800 -2.642 -2.870 1.00 0.00 C ATOM 565 C ILE A 40 -4.317 -3.614 -1.799 1.00 0.00 C ATOM 566 O ILE A 40 -3.391 -4.392 -2.024 1.00 0.00 O ATOM 567 CB ILE A 40 -4.267 -1.234 -2.548 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.719 -0.237 -3.617 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.749 -1.253 -2.442 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.784 1.191 -3.123 1.00 0.00 C ATOM 0 H ILE A 40 -6.692 -1.741 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.414 -2.954 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.675 -0.918 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.034 -0.289 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.702 -0.531 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.388 -0.250 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.448 -1.936 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.322 -1.586 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.111 1.842 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.491 1.258 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.797 1.504 -2.783 1.00 0.00 H new ATOM 582 N ALA A 41 -4.953 -3.563 -0.632 1.00 0.00 N ATOM 583 CA ALA A 41 -4.591 -4.441 0.473 1.00 0.00 C ATOM 584 C ALA A 41 -4.691 -5.907 0.066 1.00 0.00 C ATOM 585 O ALA A 41 -3.701 -6.639 0.095 1.00 0.00 O ATOM 586 CB ALA A 41 -5.477 -4.165 1.679 1.00 0.00 C ATOM 0 H ALA A 41 -5.721 -2.923 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.555 -4.236 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.195 -4.828 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.352 -3.129 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.519 -4.340 1.412 1.00 0.00 H new ATOM 592 N ARG A 42 -5.892 -6.331 -0.314 1.00 0.00 N ATOM 593 CA ARG A 42 -6.121 -7.710 -0.726 1.00 0.00 C ATOM 594 C ARG A 42 -4.987 -8.206 -1.619 1.00 0.00 C ATOM 595 O ARG A 42 -4.595 -9.371 -1.550 1.00 0.00 O ATOM 596 CB ARG A 42 -7.455 -7.830 -1.465 1.00 0.00 C ATOM 597 CG ARG A 42 -8.667 -7.623 -0.571 1.00 0.00 C ATOM 598 CD ARG A 42 -9.907 -7.283 -1.383 1.00 0.00 C ATOM 599 NE ARG A 42 -10.546 -8.476 -1.932 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.497 -8.440 -2.858 1.00 0.00 C ATOM 601 NH1 ARG A 42 -11.918 -7.277 -3.336 1.00 0.00 N ATOM 602 NH2 ARG A 42 -12.030 -9.569 -3.308 1.00 0.00 N ATOM 0 H ARG A 42 -6.722 -5.739 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.153 -8.329 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.480 -7.098 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.518 -8.816 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.849 -8.526 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.464 -6.821 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.618 -6.749 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.634 -6.611 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.245 -9.387 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.511 -6.407 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.649 -7.252 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.709 -10.466 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.760 -9.540 -4.019 1.00 0.00 H new ATOM 616 N GLU A 43 -4.466 -7.315 -2.456 1.00 0.00 N ATOM 617 CA GLU A 43 -3.379 -7.664 -3.363 1.00 0.00 C ATOM 618 C GLU A 43 -2.088 -7.921 -2.591 1.00 0.00 C ATOM 619 O GLU A 43 -1.439 -8.952 -2.772 1.00 0.00 O ATOM 620 CB GLU A 43 -3.160 -6.547 -4.386 1.00 0.00 C ATOM 621 CG GLU A 43 -4.033 -6.675 -5.623 1.00 0.00 C ATOM 622 CD GLU A 43 -3.392 -7.524 -6.703 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.531 -8.363 -6.365 1.00 0.00 O ATOM 624 OE2 GLU A 43 -3.752 -7.350 -7.886 1.00 0.00 O ATOM 0 H GLU A 43 -4.779 -6.347 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.657 -8.578 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.357 -5.586 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.113 -6.544 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.991 -7.112 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.240 -5.682 -6.022 1.00 0.00 H new ATOM 631 N ILE A 44 -1.722 -6.978 -1.730 1.00 0.00 N ATOM 632 CA ILE A 44 -0.510 -7.102 -0.930 1.00 0.00 C ATOM 633 C ILE A 44 -0.551 -8.355 -0.061 1.00 0.00 C ATOM 634 O ILE A 44 0.458 -9.037 0.111 1.00 0.00 O ATOM 635 CB ILE A 44 -0.302 -5.872 -0.027 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.316 -4.591 -0.863 1.00 0.00 C ATOM 637 CG2 ILE A 44 1.004 -5.995 0.743 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.216 -3.328 -0.036 1.00 0.00 C ATOM 0 H ILE A 44 -2.248 -6.119 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 44 0.323 -7.174 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.121 -5.824 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.513 -4.619 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.234 -4.560 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.137 -5.118 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.977 -6.891 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.835 -6.065 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.232 -2.460 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.059 -3.276 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.715 -3.337 0.530 1.00 0.00 H new ATOM 650 N GLY A 45 -1.727 -8.653 0.483 1.00 0.00 N ATOM 651 CA GLY A 45 -1.879 -9.824 1.326 1.00 0.00 C ATOM 652 C GLY A 45 -1.912 -9.477 2.801 1.00 0.00 C ATOM 653 O GLY A 45 -0.916 -9.017 3.361 1.00 0.00 O ATOM 0 H GLY A 45 -2.577 -8.104 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.799 -10.344 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.056 -10.513 1.137 1.00 0.00 H new ATOM 657 N TYR A 46 -3.060 -9.695 3.433 1.00 0.00 N ATOM 658 CA TYR A 46 -3.221 -9.398 4.851 1.00 0.00 C ATOM 659 C TYR A 46 -2.342 -10.311 5.702 1.00 0.00 C ATOM 660 O TYR A 46 -2.000 -11.427 5.311 1.00 0.00 O ATOM 661 CB TYR A 46 -4.685 -9.553 5.264 1.00 0.00 C ATOM 662 CG TYR A 46 -5.596 -8.504 4.667 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.680 -7.232 5.220 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.374 -8.785 3.551 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.511 -6.270 4.679 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.207 -7.829 3.002 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.272 -6.574 3.569 1.00 0.00 C ATOM 668 OH TYR A 46 -8.102 -5.620 3.026 1.00 0.00 O ATOM 0 H TYR A 46 -3.893 -10.077 2.985 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.911 -8.366 5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.036 -10.540 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.754 -9.507 6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.085 -6.991 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.327 -9.767 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.565 -5.287 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.804 -8.064 2.133 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.567 -5.995 2.249 1.00 0.00 H new ATOM 678 N PRO A 47 -1.968 -9.826 6.895 1.00 0.00 N ATOM 679 CA PRO A 47 -2.369 -8.498 7.371 1.00 0.00 C ATOM 680 C PRO A 47 -1.693 -7.375 6.593 1.00 0.00 C ATOM 681 O PRO A 47 -0.618 -7.560 6.024 1.00 0.00 O ATOM 682 CB PRO A 47 -1.908 -8.491 8.831 1.00 0.00 C ATOM 683 CG PRO A 47 -0.788 -9.472 8.880 1.00 0.00 C ATOM 684 CD PRO A 47 -1.125 -10.536 7.872 1.00 0.00 C ATOM 0 HA PRO A 47 -3.438 -8.326 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.578 -7.498 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.716 -8.780 9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.161 -8.993 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.686 -9.898 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.229 -10.947 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.657 -11.370 8.330 1.00 0.00 H new ATOM 692 N VAL A 48 -2.330 -6.208 6.573 1.00 0.00 N ATOM 693 CA VAL A 48 -1.789 -5.054 5.866 1.00 0.00 C ATOM 694 C VAL A 48 -1.781 -3.817 6.758 1.00 0.00 C ATOM 695 O VAL A 48 -2.806 -3.443 7.327 1.00 0.00 O ATOM 696 CB VAL A 48 -2.596 -4.748 4.591 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.685 -5.982 3.706 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.984 -4.238 4.949 1.00 0.00 C ATOM 0 H VAL A 48 -3.221 -6.037 7.039 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.765 -5.305 5.588 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.079 -3.967 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.259 -5.746 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.682 -6.299 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.178 -6.786 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.541 -4.027 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.512 -4.995 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.895 -3.326 5.539 1.00 0.00 H new ATOM 708 N MET A 49 -0.617 -3.187 6.876 1.00 0.00 N ATOM 709 CA MET A 49 -0.476 -1.991 7.698 1.00 0.00 C ATOM 710 C MET A 49 -0.891 -0.745 6.921 1.00 0.00 C ATOM 711 O MET A 49 -0.688 -0.662 5.709 1.00 0.00 O ATOM 712 CB MET A 49 0.968 -1.846 8.182 1.00 0.00 C ATOM 713 CG MET A 49 1.343 -0.423 8.561 1.00 0.00 C ATOM 714 SD MET A 49 3.101 -0.237 8.912 1.00 0.00 S ATOM 715 CE MET A 49 3.466 -1.822 9.663 1.00 0.00 C ATOM 0 H MET A 49 0.242 -3.485 6.413 1.00 0.00 H new ATOM 0 HA MET A 49 -1.133 -2.095 8.562 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.120 -2.495 9.045 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.642 -2.194 7.399 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.066 0.250 7.750 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.768 -0.121 9.436 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.445 -1.781 10.141 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.706 -2.054 10.409 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.469 -2.596 8.896 1.00 0.00 H new ATOM 725 N ILE A 50 -1.472 0.220 7.625 1.00 0.00 N ATOM 726 CA ILE A 50 -1.914 1.460 7.001 1.00 0.00 C ATOM 727 C ILE A 50 -1.351 2.675 7.732 1.00 0.00 C ATOM 728 O ILE A 50 -1.598 2.866 8.923 1.00 0.00 O ATOM 729 CB ILE A 50 -3.451 1.560 6.972 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.038 0.452 6.094 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.884 2.928 6.467 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.435 0.036 6.501 1.00 0.00 C ATOM 0 H ILE A 50 -1.648 0.167 8.628 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.539 1.448 5.977 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.828 1.433 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.056 0.791 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.382 -0.418 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.973 2.983 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.491 3.701 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.499 3.082 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.788 -0.752 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.420 -0.334 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.104 0.894 6.434 1.00 0.00 H new ATOM 744 N LYS A 51 -0.595 3.494 7.010 1.00 0.00 N ATOM 745 CA LYS A 51 0.002 4.693 7.587 1.00 0.00 C ATOM 746 C LYS A 51 -0.582 5.951 6.953 1.00 0.00 C ATOM 747 O LYS A 51 -1.386 5.873 6.024 1.00 0.00 O ATOM 748 CB LYS A 51 1.521 4.673 7.401 1.00 0.00 C ATOM 749 CG LYS A 51 2.158 3.339 7.747 1.00 0.00 C ATOM 750 CD LYS A 51 2.227 2.422 6.537 1.00 0.00 C ATOM 751 CE LYS A 51 3.314 2.861 5.567 1.00 0.00 C ATOM 752 NZ LYS A 51 2.977 2.507 4.160 1.00 0.00 N ATOM 0 H LYS A 51 -0.381 3.350 6.023 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.227 4.705 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.755 4.920 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.965 5.450 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.162 3.505 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.585 2.856 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.420 1.400 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.263 2.417 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.458 3.939 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.258 2.392 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.447 3.172 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.301 1.540 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.947 2.562 4.025 1.00 0.00 H new ATOM 766 N ALA A 52 -0.172 7.109 7.459 1.00 0.00 N ATOM 767 CA ALA A 52 -0.652 8.384 6.939 1.00 0.00 C ATOM 768 C ALA A 52 0.392 9.038 6.040 1.00 0.00 C ATOM 769 O ALA A 52 1.323 9.682 6.521 1.00 0.00 O ATOM 770 CB ALA A 52 -1.023 9.315 8.084 1.00 0.00 C ATOM 0 H ALA A 52 0.492 7.191 8.229 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.541 8.192 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.380 10.263 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.809 8.857 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.147 9.492 8.707 1.00 0.00 H new ATOM 776 N SER A 53 0.229 8.867 4.732 1.00 0.00 N ATOM 777 CA SER A 53 1.160 9.437 3.765 1.00 0.00 C ATOM 778 C SER A 53 1.644 10.810 4.222 1.00 0.00 C ATOM 779 O SER A 53 2.759 11.224 3.904 1.00 0.00 O ATOM 780 CB SER A 53 0.497 9.549 2.391 1.00 0.00 C ATOM 781 OG SER A 53 1.466 9.584 1.358 1.00 0.00 O ATOM 0 H SER A 53 -0.539 8.339 4.318 1.00 0.00 H new ATOM 0 HA SER A 53 2.021 8.773 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.173 8.703 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.114 10.451 2.351 1.00 0.00 H new ATOM 0 HG SER A 53 1.016 9.654 0.490 1.00 0.00 H new ATOM 787 N ALA A 54 0.798 11.510 4.970 1.00 0.00 N ATOM 788 CA ALA A 54 1.139 12.835 5.472 1.00 0.00 C ATOM 789 C ALA A 54 1.804 12.748 6.842 1.00 0.00 C ATOM 790 O ALA A 54 1.507 13.538 7.738 1.00 0.00 O ATOM 791 CB ALA A 54 -0.104 13.710 5.541 1.00 0.00 C ATOM 0 H ALA A 54 -0.129 11.182 5.242 1.00 0.00 H new ATOM 0 HA ALA A 54 1.849 13.287 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.166 14.697 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.536 13.808 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.834 13.253 6.210 1.00 0.00 H new ATOM 797 N GLY A 55 2.704 11.782 6.998 1.00 0.00 N ATOM 798 CA GLY A 55 3.396 11.610 8.262 1.00 0.00 C ATOM 799 C GLY A 55 3.356 10.177 8.754 1.00 0.00 C ATOM 800 O GLY A 55 3.077 9.922 9.924 1.00 0.00 O ATOM 0 H GLY A 55 2.966 11.116 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.434 11.924 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.945 12.261 9.011 1.00 0.00 H new ATOM 804 N GLY A 56 3.636 9.237 7.856 1.00 0.00 N ATOM 805 CA GLY A 56 3.624 7.833 8.224 1.00 0.00 C ATOM 806 C GLY A 56 4.549 7.530 9.385 1.00 0.00 C ATOM 807 O GLY A 56 4.235 7.837 10.534 1.00 0.00 O ATOM 0 H GLY A 56 3.871 9.423 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.608 7.538 8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.918 7.232 7.363 1.00 0.00 H new ATOM 811 N GLY A 57 5.694 6.923 9.085 1.00 0.00 N ATOM 812 CA GLY A 57 6.649 6.587 10.124 1.00 0.00 C ATOM 813 C GLY A 57 6.347 5.254 10.781 1.00 0.00 C ATOM 814 O GLY A 57 7.256 4.478 11.074 1.00 0.00 O ATOM 0 H GLY A 57 5.976 6.658 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.651 6.559 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.647 7.371 10.882 1.00 0.00 H new ATOM 818 N GLY A 58 5.065 4.988 11.013 1.00 0.00 N ATOM 819 CA GLY A 58 4.669 3.740 11.639 1.00 0.00 C ATOM 820 C GLY A 58 4.878 3.752 13.140 1.00 0.00 C ATOM 821 O GLY A 58 5.453 2.820 13.703 1.00 0.00 O ATOM 0 H GLY A 58 4.294 5.614 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.618 3.546 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.240 2.921 11.202 1.00 0.00 H new ATOM 825 N LYS A 59 4.411 4.811 13.792 1.00 0.00 N ATOM 826 CA LYS A 59 4.549 4.943 15.238 1.00 0.00 C ATOM 827 C LYS A 59 3.199 4.789 15.930 1.00 0.00 C ATOM 828 O LYS A 59 3.084 4.097 16.941 1.00 0.00 O ATOM 829 CB LYS A 59 5.163 6.300 15.591 1.00 0.00 C ATOM 830 CG LYS A 59 6.682 6.304 15.569 1.00 0.00 C ATOM 831 CD LYS A 59 7.261 5.922 16.921 1.00 0.00 C ATOM 832 CE LYS A 59 7.059 4.443 17.215 1.00 0.00 C ATOM 833 NZ LYS A 59 7.986 3.957 18.274 1.00 0.00 N ATOM 0 H LYS A 59 3.933 5.591 13.342 1.00 0.00 H new ATOM 0 HA LYS A 59 5.210 4.150 15.588 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.796 7.049 14.890 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.821 6.597 16.583 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.037 5.607 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.040 7.294 15.286 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.325 6.156 16.942 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.788 6.517 17.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.029 4.272 17.528 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.215 3.867 16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.817 2.945 18.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.969 4.097 17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.820 4.489 19.152 1.00 0.00 H new ATOM 847 N GLY A 60 2.178 5.438 15.378 1.00 0.00 N ATOM 848 CA GLY A 60 0.849 5.359 15.955 1.00 0.00 C ATOM 849 C GLY A 60 -0.219 5.085 14.915 1.00 0.00 C ATOM 850 O GLY A 60 -1.400 5.343 15.146 1.00 0.00 O ATOM 0 H GLY A 60 2.248 6.017 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.829 4.571 16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.622 6.294 16.467 1.00 0.00 H new ATOM 854 N MET A 61 0.196 4.561 13.766 1.00 0.00 N ATOM 855 CA MET A 61 -0.735 4.252 12.687 1.00 0.00 C ATOM 856 C MET A 61 -1.631 3.077 13.062 1.00 0.00 C ATOM 857 O MET A 61 -1.567 2.568 14.181 1.00 0.00 O ATOM 858 CB MET A 61 0.030 3.935 11.400 1.00 0.00 C ATOM 859 CG MET A 61 0.489 2.489 11.307 1.00 0.00 C ATOM 860 SD MET A 61 1.558 2.010 12.679 1.00 0.00 S ATOM 861 CE MET A 61 0.636 0.634 13.360 1.00 0.00 C ATOM 0 H MET A 61 1.170 4.342 13.558 1.00 0.00 H new ATOM 0 HA MET A 61 -1.364 5.127 12.521 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.606 4.162 10.544 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.900 4.589 11.333 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.383 1.836 11.286 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.021 2.341 10.368 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.555 0.749 14.441 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.362 0.612 12.922 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.153 -0.298 13.132 1.00 0.00 H new ATOM 871 N ARG A 62 -2.466 2.651 12.120 1.00 0.00 N ATOM 872 CA ARG A 62 -3.377 1.536 12.353 1.00 0.00 C ATOM 873 C ARG A 62 -3.100 0.395 11.379 1.00 0.00 C ATOM 874 O ARG A 62 -2.581 0.614 10.284 1.00 0.00 O ATOM 875 CB ARG A 62 -4.829 1.999 12.215 1.00 0.00 C ATOM 876 CG ARG A 62 -5.801 1.222 13.088 1.00 0.00 C ATOM 877 CD ARG A 62 -7.181 1.148 12.455 1.00 0.00 C ATOM 878 NE ARG A 62 -7.329 -0.026 11.600 1.00 0.00 N ATOM 879 CZ ARG A 62 -7.582 -1.246 12.062 1.00 0.00 C ATOM 880 NH1 ARG A 62 -7.716 -1.449 13.366 1.00 0.00 N ATOM 881 NH2 ARG A 62 -7.702 -2.264 11.221 1.00 0.00 N ATOM 0 H ARG A 62 -2.531 3.061 11.188 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.214 1.172 13.367 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.890 3.057 12.470 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.134 1.905 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.420 0.214 13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.873 1.697 14.066 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.938 1.123 13.239 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.359 2.049 11.868 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.233 0.097 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.625 -0.668 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.910 -2.386 13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.600 -2.111 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.896 -3.200 11.577 1.00 0.00 H new ATOM 895 N ILE A 63 -3.450 -0.820 11.784 1.00 0.00 N ATOM 896 CA ILE A 63 -3.240 -1.995 10.947 1.00 0.00 C ATOM 897 C ILE A 63 -4.532 -2.787 10.776 1.00 0.00 C ATOM 898 O ILE A 63 -5.322 -2.914 11.711 1.00 0.00 O ATOM 899 CB ILE A 63 -2.158 -2.919 11.536 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.895 -2.120 11.861 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.841 -4.048 10.566 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.090 -2.872 12.729 1.00 0.00 C ATOM 0 H ILE A 63 -3.881 -1.017 12.687 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.907 -1.634 9.974 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.537 -3.355 12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.404 -1.837 10.930 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.179 -1.196 12.365 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.075 -4.693 10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.743 -4.631 10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.478 -3.630 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.961 -2.244 12.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.384 -3.131 13.676 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.403 -3.783 12.219 1.00 0.00 H new ATOM 914 N ALA A 64 -4.739 -3.319 9.577 1.00 0.00 N ATOM 915 CA ALA A 64 -5.933 -4.102 9.284 1.00 0.00 C ATOM 916 C ALA A 64 -5.573 -5.545 8.943 1.00 0.00 C ATOM 917 O ALA A 64 -4.452 -5.832 8.525 1.00 0.00 O ATOM 918 CB ALA A 64 -6.714 -3.468 8.144 1.00 0.00 C ATOM 0 H ALA A 64 -4.095 -3.222 8.792 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.559 -4.112 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.603 -4.064 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.012 -2.458 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.088 -3.427 7.253 1.00 0.00 H new ATOM 924 N TRP A 65 -6.531 -6.447 9.126 1.00 0.00 N ATOM 925 CA TRP A 65 -6.314 -7.860 8.838 1.00 0.00 C ATOM 926 C TRP A 65 -7.327 -8.370 7.819 1.00 0.00 C ATOM 927 O TRP A 65 -7.109 -9.394 7.172 1.00 0.00 O ATOM 928 CB TRP A 65 -6.406 -8.683 10.124 1.00 0.00 C ATOM 929 CG TRP A 65 -5.296 -8.403 11.090 1.00 0.00 C ATOM 930 CD1 TRP A 65 -5.127 -7.273 11.838 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.200 -9.266 11.411 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.992 -7.382 12.605 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.406 -8.596 12.361 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.814 -10.541 10.989 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.249 -9.159 12.894 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.665 -11.098 11.518 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.894 -10.408 12.463 1.00 0.00 C ATOM 0 H TRP A 65 -7.464 -6.225 9.472 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.315 -7.970 8.415 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.360 -8.479 10.610 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.398 -9.743 9.870 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.788 -6.419 11.828 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.643 -6.674 13.251 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.403 -11.081 10.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.653 -8.628 13.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.356 -12.082 11.198 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -1.002 -10.871 12.859 1.00 0.00 H new ATOM 948 N ASP A 66 -8.434 -7.649 7.681 1.00 0.00 N ATOM 949 CA ASP A 66 -9.481 -8.028 6.739 1.00 0.00 C ATOM 950 C ASP A 66 -10.114 -6.794 6.104 1.00 0.00 C ATOM 951 O ASP A 66 -9.981 -5.682 6.616 1.00 0.00 O ATOM 952 CB ASP A 66 -10.553 -8.861 7.443 1.00 0.00 C ATOM 953 CG ASP A 66 -9.962 -9.868 8.410 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.127 -10.689 7.975 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.334 -9.835 9.601 1.00 0.00 O ATOM 0 H ASP A 66 -8.630 -6.799 8.209 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.026 -8.627 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.229 -8.197 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.150 -9.385 6.697 1.00 0.00 H new ATOM 960 N ASP A 67 -10.801 -6.997 4.985 1.00 0.00 N ATOM 961 CA ASP A 67 -11.454 -5.901 4.279 1.00 0.00 C ATOM 962 C ASP A 67 -12.166 -4.972 5.258 1.00 0.00 C ATOM 963 O ASP A 67 -11.982 -3.756 5.219 1.00 0.00 O ATOM 964 CB ASP A 67 -12.453 -6.447 3.257 1.00 0.00 C ATOM 965 CG ASP A 67 -13.519 -7.314 3.897 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.199 -8.031 4.868 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.676 -7.274 3.427 1.00 0.00 O ATOM 0 H ASP A 67 -10.920 -7.911 4.547 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.687 -5.330 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.929 -5.615 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.919 -7.028 2.505 1.00 0.00 H new ATOM 972 N GLU A 68 -12.979 -5.554 6.134 1.00 0.00 N ATOM 973 CA GLU A 68 -13.720 -4.777 7.121 1.00 0.00 C ATOM 974 C GLU A 68 -12.785 -3.858 7.902 1.00 0.00 C ATOM 975 O GLU A 68 -13.076 -2.678 8.092 1.00 0.00 O ATOM 976 CB GLU A 68 -14.460 -5.708 8.084 1.00 0.00 C ATOM 977 CG GLU A 68 -13.585 -6.808 8.660 1.00 0.00 C ATOM 978 CD GLU A 68 -14.352 -7.746 9.573 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.908 -7.266 10.583 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.397 -8.958 9.277 1.00 0.00 O ATOM 0 H GLU A 68 -13.141 -6.560 6.180 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.447 -4.162 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.872 -5.117 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.303 -6.161 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.144 -7.381 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.762 -6.359 9.216 1.00 0.00 H new ATOM 987 N GLU A 69 -11.663 -4.410 8.353 1.00 0.00 N ATOM 988 CA GLU A 69 -10.686 -3.640 9.115 1.00 0.00 C ATOM 989 C GLU A 69 -10.049 -2.558 8.247 1.00 0.00 C ATOM 990 O GLU A 69 -9.844 -1.429 8.693 1.00 0.00 O ATOM 991 CB GLU A 69 -9.603 -4.562 9.677 1.00 0.00 C ATOM 992 CG GLU A 69 -10.106 -5.506 10.756 1.00 0.00 C ATOM 993 CD GLU A 69 -8.987 -6.055 11.619 1.00 0.00 C ATOM 994 OE1 GLU A 69 -8.008 -5.320 11.860 1.00 0.00 O ATOM 995 OE2 GLU A 69 -9.092 -7.221 12.054 1.00 0.00 O ATOM 0 H GLU A 69 -11.408 -5.386 8.204 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.207 -3.158 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.179 -5.149 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.796 -3.954 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.823 -4.981 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.639 -6.334 10.289 1.00 0.00 H new ATOM 1002 N THR A 70 -9.738 -2.912 7.004 1.00 0.00 N ATOM 1003 CA THR A 70 -9.123 -1.974 6.073 1.00 0.00 C ATOM 1004 C THR A 70 -9.914 -0.673 6.001 1.00 0.00 C ATOM 1005 O THR A 70 -9.363 0.411 6.194 1.00 0.00 O ATOM 1006 CB THR A 70 -9.015 -2.575 4.659 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.211 -3.760 4.690 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.410 -1.571 3.689 1.00 0.00 C ATOM 0 H THR A 70 -9.902 -3.842 6.619 1.00 0.00 H new ATOM 0 HA THR A 70 -8.121 -1.767 6.449 1.00 0.00 H new ATOM 0 HB THR A 70 -10.019 -2.827 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.535 -4.393 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.344 -2.018 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.040 -0.682 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.412 -1.292 4.029 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.209 -0.788 5.722 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.075 0.381 5.624 1.00 0.00 C ATOM 1018 C ARG A 71 -12.136 1.126 6.954 1.00 0.00 C ATOM 1019 O ARG A 71 -11.796 2.307 7.031 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.484 -0.037 5.197 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.542 -0.652 3.808 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.681 -1.651 3.688 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.162 -1.772 2.314 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.087 -2.645 1.933 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.630 -3.470 2.818 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.473 -2.694 0.664 1.00 0.00 N ATOM 0 H ARG A 71 -11.681 -1.678 5.560 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.657 1.050 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.876 -0.753 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.137 0.835 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.668 0.136 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.597 -1.148 3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.346 -2.626 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.503 -1.342 4.334 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.765 -1.152 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.337 -3.435 3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.340 -4.140 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.059 -2.061 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.184 -3.365 0.373 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.571 0.428 7.998 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.675 1.023 9.325 1.00 0.00 C ATOM 1042 C ASP A 72 -11.424 1.830 9.660 1.00 0.00 C ATOM 1043 O ASP A 72 -11.507 2.910 10.243 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.893 -0.063 10.379 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.361 -0.376 10.593 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.984 -0.952 9.676 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.887 -0.045 11.676 1.00 0.00 O ATOM 0 H ASP A 72 -12.857 -0.550 7.951 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.531 1.697 9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.372 -0.971 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.451 0.257 11.323 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.265 1.296 9.286 1.00 0.00 N ATOM 1053 CA GLY A 73 -9.013 1.979 9.556 1.00 0.00 C ATOM 1054 C GLY A 73 -8.749 3.111 8.583 1.00 0.00 C ATOM 1055 O GLY A 73 -8.230 4.160 8.966 1.00 0.00 O ATOM 0 H GLY A 73 -10.171 0.403 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.030 2.374 10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.193 1.262 9.506 1.00 0.00 H new ATOM 1059 N PHE A 74 -9.104 2.899 7.321 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.900 3.910 6.289 1.00 0.00 C ATOM 1061 C PHE A 74 -9.663 5.189 6.622 1.00 0.00 C ATOM 1062 O PHE A 74 -9.235 6.288 6.271 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.347 3.376 4.927 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.436 4.436 3.867 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -8.305 4.836 3.172 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -10.649 5.033 3.565 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -8.384 5.813 2.197 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -10.734 6.010 2.590 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.600 6.399 1.905 1.00 0.00 C ATOM 0 H PHE A 74 -9.534 2.037 6.987 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.836 4.143 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.649 2.605 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.321 2.899 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.352 4.379 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.539 4.732 4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.495 6.118 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.686 6.468 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.664 7.161 1.142 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.794 5.036 7.302 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.618 6.177 7.681 1.00 0.00 C ATOM 1081 C ARG A 75 -10.969 6.963 8.817 1.00 0.00 C ATOM 1082 O ARG A 75 -10.918 8.193 8.785 1.00 0.00 O ATOM 1083 CB ARG A 75 -13.013 5.710 8.101 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.767 4.979 7.003 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.272 5.079 7.199 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.815 6.316 6.645 1.00 0.00 N ATOM 1087 CZ ARG A 75 -15.932 6.548 5.342 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -15.547 5.632 4.464 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -16.436 7.698 4.915 1.00 0.00 N ATOM 0 H ARG A 75 -11.161 4.133 7.602 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.708 6.832 6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.922 5.054 8.966 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.596 6.575 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.497 5.398 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.469 3.930 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.757 4.226 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.503 5.026 8.263 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.121 7.041 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.160 4.746 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.638 5.813 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.734 8.405 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.526 7.875 3.915 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.475 6.244 9.818 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.829 6.873 10.965 1.00 0.00 C ATOM 1105 C LEU A 76 -8.484 7.474 10.571 1.00 0.00 C ATOM 1106 O LEU A 76 -8.298 8.690 10.617 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.635 5.854 12.089 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.901 5.152 12.585 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.543 3.945 13.437 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.775 6.120 13.368 1.00 0.00 C ATOM 0 H LEU A 76 -10.509 5.225 9.859 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.475 7.676 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.933 5.094 11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.169 6.360 12.935 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.464 4.805 11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.456 3.459 13.781 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.958 3.242 12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.958 4.268 14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.671 5.604 13.713 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.220 6.498 14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.061 6.953 12.726 1.00 0.00 H new ATOM 1122 N SER A 77 -7.549 6.613 10.181 1.00 0.00 N ATOM 1123 CA SER A 77 -6.219 7.059 9.779 1.00 0.00 C ATOM 1124 C SER A 77 -6.310 8.234 8.810 1.00 0.00 C ATOM 1125 O SER A 77 -5.369 9.016 8.677 1.00 0.00 O ATOM 1126 CB SER A 77 -5.447 5.908 9.133 1.00 0.00 C ATOM 1127 OG SER A 77 -5.301 4.822 10.032 1.00 0.00 O ATOM 0 H SER A 77 -7.687 5.603 10.135 1.00 0.00 H new ATOM 0 HA SER A 77 -5.687 7.388 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.969 5.574 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.464 6.257 8.818 1.00 0.00 H new ATOM 0 HG SER A 77 -6.124 4.291 10.040 1.00 0.00 H new ATOM 1133 N SER A 78 -7.449 8.350 8.136 1.00 0.00 N ATOM 1134 CA SER A 78 -7.663 9.426 7.176 1.00 0.00 C ATOM 1135 C SER A 78 -7.980 10.736 7.890 1.00 0.00 C ATOM 1136 O SER A 78 -7.402 11.778 7.584 1.00 0.00 O ATOM 1137 CB SER A 78 -8.800 9.066 6.218 1.00 0.00 C ATOM 1138 OG SER A 78 -9.165 10.178 5.418 1.00 0.00 O ATOM 0 H SER A 78 -8.238 7.712 8.237 1.00 0.00 H new ATOM 0 HA SER A 78 -6.744 9.557 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.492 8.239 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.665 8.724 6.787 1.00 0.00 H new ATOM 0 HG SER A 78 -9.892 9.921 4.813 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.905 10.674 8.843 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.301 11.855 9.601 1.00 0.00 C ATOM 1146 C GLN A 79 -8.111 12.445 10.351 1.00 0.00 C ATOM 1147 O GLN A 79 -8.038 13.655 10.565 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.416 11.504 10.587 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.661 10.941 9.921 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.414 9.974 10.814 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -12.592 10.223 12.007 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -12.861 8.863 10.240 1.00 0.00 N ATOM 0 H GLN A 79 -9.394 9.819 9.108 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.670 12.601 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.038 10.777 11.306 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.687 12.398 11.149 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.322 11.762 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.377 10.433 8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.691 8.697 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.375 8.175 10.791 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.180 11.582 10.748 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.994 12.019 11.475 1.00 0.00 C ATOM 1163 C GLU A 80 -5.065 12.820 10.568 1.00 0.00 C ATOM 1164 O GLU A 80 -4.845 14.012 10.783 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.249 10.813 12.051 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.958 10.164 13.227 1.00 0.00 C ATOM 1167 CD GLU A 80 -6.025 11.071 14.441 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.955 11.483 14.934 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -7.149 11.369 14.897 1.00 0.00 O ATOM 0 H GLU A 80 -7.225 10.577 10.578 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.317 12.662 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.114 10.071 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.254 11.128 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.969 9.887 12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.441 9.243 13.495 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.521 12.156 9.553 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.616 12.805 8.613 1.00 0.00 C ATOM 1178 C ALA A 81 -4.243 14.067 8.030 1.00 0.00 C ATOM 1179 O ALA A 81 -3.560 15.067 7.812 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.232 11.841 7.500 1.00 0.00 C ATOM 0 H ALA A 81 -4.692 11.169 9.361 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.715 13.095 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.556 12.339 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.736 10.970 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.129 11.523 6.969 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.547 14.012 7.778 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.266 15.151 7.221 1.00 0.00 C ATOM 1188 C ALA A 82 -6.218 16.346 8.167 1.00 0.00 C ATOM 1189 O ALA A 82 -6.390 17.490 7.746 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.708 14.770 6.922 1.00 0.00 C ATOM 0 H ALA A 82 -6.127 13.191 7.951 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.777 15.438 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.233 15.630 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.726 13.951 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.199 14.455 7.842 1.00 0.00 H new ATOM 1196 N SER A 83 -5.983 16.073 9.446 1.00 0.00 N ATOM 1197 CA SER A 83 -5.917 17.126 10.453 1.00 0.00 C ATOM 1198 C SER A 83 -4.486 17.319 10.944 1.00 0.00 C ATOM 1199 O SER A 83 -3.874 18.363 10.716 1.00 0.00 O ATOM 1200 CB SER A 83 -6.833 16.792 11.632 1.00 0.00 C ATOM 1201 OG SER A 83 -7.153 17.956 12.375 1.00 0.00 O ATOM 0 H SER A 83 -5.835 15.132 9.810 1.00 0.00 H new ATOM 0 HA SER A 83 -6.253 18.056 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.748 16.328 11.265 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.345 16.065 12.281 1.00 0.00 H new ATOM 0 HG SER A 83 -7.741 17.716 13.122 1.00 0.00 H new ATOM 1207 N SER A 84 -3.958 16.304 11.622 1.00 0.00 N ATOM 1208 CA SER A 84 -2.600 16.362 12.150 1.00 0.00 C ATOM 1209 C SER A 84 -1.686 17.148 11.214 1.00 0.00 C ATOM 1210 O SER A 84 -0.840 17.923 11.660 1.00 0.00 O ATOM 1211 CB SER A 84 -2.048 14.949 12.352 1.00 0.00 C ATOM 1212 OG SER A 84 -2.405 14.103 11.273 1.00 0.00 O ATOM 0 H SER A 84 -4.450 15.432 11.818 1.00 0.00 H new ATOM 0 HA SER A 84 -2.632 16.873 13.112 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.963 14.989 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.431 14.535 13.285 1.00 0.00 H new ATOM 0 HG SER A 84 -1.593 13.758 10.845 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.864 16.942 9.913 1.00 0.00 N ATOM 1219 CA PHE A 85 -1.055 17.630 8.913 1.00 0.00 C ATOM 1220 C PHE A 85 -1.936 18.435 7.962 1.00 0.00 C ATOM 1221 O PHE A 85 -1.700 19.620 7.734 1.00 0.00 O ATOM 1222 CB PHE A 85 -0.219 16.622 8.122 1.00 0.00 C ATOM 1223 CG PHE A 85 0.494 15.623 8.988 1.00 0.00 C ATOM 1224 CD1 PHE A 85 -0.190 14.551 9.539 1.00 0.00 C ATOM 1225 CD2 PHE A 85 1.848 15.756 9.252 1.00 0.00 C ATOM 1226 CE1 PHE A 85 0.464 13.631 10.337 1.00 0.00 C ATOM 1227 CE2 PHE A 85 2.507 14.839 10.049 1.00 0.00 C ATOM 1228 CZ PHE A 85 1.814 13.775 10.592 1.00 0.00 C ATOM 0 H PHE A 85 -2.561 16.305 9.527 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.387 18.318 9.432 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.868 16.090 7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.515 17.161 7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.245 14.433 9.343 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.395 16.586 8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.080 12.800 10.761 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.562 14.954 10.247 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.327 13.057 11.215 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.952 17.780 7.409 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.853 18.449 6.488 1.00 0.00 C ATOM 1240 C GLY A 86 -4.330 17.535 5.377 1.00 0.00 C ATOM 1241 O GLY A 86 -5.500 17.569 4.996 1.00 0.00 O ATOM 0 H GLY A 86 -3.168 16.798 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.715 18.828 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.348 19.312 6.053 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.422 16.718 4.854 1.00 0.00 N ATOM 1246 CA ASP A 87 -3.756 15.791 3.779 1.00 0.00 C ATOM 1247 C ASP A 87 -4.235 14.456 4.341 1.00 0.00 C ATOM 1248 O ASP A 87 -3.760 14.004 5.383 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.545 15.572 2.871 1.00 0.00 C ATOM 1250 CG ASP A 87 -2.309 16.736 1.929 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.996 16.805 0.889 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.437 17.577 2.231 1.00 0.00 O ATOM 0 H ASP A 87 -2.449 16.679 5.157 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.565 16.229 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.657 15.420 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.691 14.662 2.289 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.178 13.831 3.645 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.721 12.548 4.075 1.00 0.00 C ATOM 1259 C ASP A 88 -5.035 11.396 3.347 1.00 0.00 C ATOM 1260 O ASP A 88 -5.456 10.244 3.452 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.230 12.499 3.825 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.568 12.147 2.390 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.420 13.024 1.513 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -7.979 10.994 2.143 1.00 0.00 O ATOM 0 H ASP A 88 -5.582 14.192 2.781 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.534 12.442 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.682 11.765 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.668 13.466 4.072 1.00 0.00 H new ATOM 1269 N ARG A 89 -3.977 11.716 2.609 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.234 10.709 1.861 1.00 0.00 C ATOM 1271 C ARG A 89 -2.797 9.567 2.774 1.00 0.00 C ATOM 1272 O ARG A 89 -2.021 9.768 3.709 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.011 11.338 1.193 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.357 12.265 0.038 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.177 12.444 -0.905 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.442 13.454 -1.926 1.00 0.00 N ATOM 1277 CZ ARG A 89 -1.285 14.758 -1.728 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -0.866 15.208 -0.552 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -1.546 15.615 -2.706 1.00 0.00 N ATOM 0 H ARG A 89 -3.615 12.665 2.513 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.892 10.305 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.447 11.897 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.359 10.545 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.206 11.861 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.663 13.236 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.295 12.730 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.950 11.493 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.765 13.141 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.664 14.552 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.746 16.210 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.868 15.273 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.425 16.616 -2.553 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.301 8.369 2.498 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.964 7.195 3.295 1.00 0.00 C ATOM 1295 C LEU A 90 -2.073 6.240 2.506 1.00 0.00 C ATOM 1296 O LEU A 90 -2.006 6.307 1.278 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.237 6.473 3.740 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.066 7.176 4.815 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.201 6.279 5.285 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.184 7.582 5.987 1.00 0.00 C ATOM 0 H LEU A 90 -3.945 8.185 1.728 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.417 7.529 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.869 6.320 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.960 5.486 4.110 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.499 8.078 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.780 6.796 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.848 6.038 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.790 5.359 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.790 8.081 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.723 6.694 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.406 8.262 5.639 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.392 5.350 3.219 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.506 4.378 2.586 1.00 0.00 C ATOM 1314 C LEU A 91 -0.780 2.971 3.108 1.00 0.00 C ATOM 1315 O LEU A 91 -1.386 2.798 4.166 1.00 0.00 O ATOM 1316 CB LEU A 91 0.955 4.753 2.836 1.00 0.00 C ATOM 1317 CG LEU A 91 1.498 5.923 2.016 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.884 6.319 2.503 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.532 5.568 0.537 1.00 0.00 C ATOM 0 H LEU A 91 -1.436 5.281 4.236 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.699 4.391 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.072 4.991 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.573 3.878 2.636 1.00 0.00 H new ATOM 0 HG LEU A 91 0.831 6.775 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.254 7.153 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.830 6.616 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.562 5.471 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.921 6.413 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.176 4.701 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.523 5.335 0.195 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.327 1.970 2.361 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.520 0.579 2.751 1.00 0.00 C ATOM 1333 C ILE A 92 0.695 -0.267 2.385 1.00 0.00 C ATOM 1334 O ILE A 92 1.177 -0.223 1.254 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.770 -0.024 2.084 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.962 0.925 2.234 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.089 -1.383 2.689 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.276 0.317 1.796 1.00 0.00 C ATOM 0 H ILE A 92 0.176 2.096 1.483 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.655 0.570 3.833 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.568 -0.159 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.043 1.232 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.775 1.826 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.975 -1.797 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.245 -2.056 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.275 -1.271 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.076 1.045 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.214 0.035 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.486 -0.568 2.397 1.00 0.00 H new ATOM 1350 N GLU A 93 1.184 -1.039 3.351 1.00 0.00 N ATOM 1351 CA GLU A 93 2.342 -1.897 3.130 1.00 0.00 C ATOM 1352 C GLU A 93 2.129 -3.271 3.759 1.00 0.00 C ATOM 1353 O GLU A 93 1.335 -3.426 4.687 1.00 0.00 O ATOM 1354 CB GLU A 93 3.602 -1.249 3.708 1.00 0.00 C ATOM 1355 CG GLU A 93 4.259 -0.252 2.768 1.00 0.00 C ATOM 1356 CD GLU A 93 4.915 -0.920 1.575 1.00 0.00 C ATOM 1357 OE1 GLU A 93 5.209 -2.130 1.661 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.134 -0.232 0.556 1.00 0.00 O ATOM 0 H GLU A 93 0.796 -1.088 4.293 1.00 0.00 H new ATOM 0 HA GLU A 93 2.468 -2.024 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.346 -0.744 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.321 -2.030 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.510 0.458 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.007 0.320 3.316 1.00 0.00 H new ATOM 1365 N LYS A 94 2.844 -4.267 3.246 1.00 0.00 N ATOM 1366 CA LYS A 94 2.736 -5.629 3.756 1.00 0.00 C ATOM 1367 C LYS A 94 3.213 -5.707 5.203 1.00 0.00 C ATOM 1368 O LYS A 94 4.262 -5.166 5.551 1.00 0.00 O ATOM 1369 CB LYS A 94 3.552 -6.587 2.886 1.00 0.00 C ATOM 1370 CG LYS A 94 3.659 -7.989 3.461 1.00 0.00 C ATOM 1371 CD LYS A 94 2.364 -8.764 3.287 1.00 0.00 C ATOM 1372 CE LYS A 94 2.614 -10.264 3.241 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.161 -10.695 1.924 1.00 0.00 N ATOM 0 H LYS A 94 3.505 -4.156 2.477 1.00 0.00 H new ATOM 0 HA LYS A 94 1.687 -5.922 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.098 -6.643 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.554 -6.180 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.472 -8.523 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.909 -7.931 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.687 -8.532 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.870 -8.448 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.311 -10.540 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.682 -10.794 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.206 -11.733 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.543 -10.350 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.116 -10.303 1.800 1.00 0.00 H new ATOM 1387 N PHE A 95 2.436 -6.386 6.041 1.00 0.00 N ATOM 1388 CA PHE A 95 2.780 -6.536 7.450 1.00 0.00 C ATOM 1389 C PHE A 95 3.192 -7.973 7.759 1.00 0.00 C ATOM 1390 O PHE A 95 2.404 -8.905 7.595 1.00 0.00 O ATOM 1391 CB PHE A 95 1.597 -6.132 8.331 1.00 0.00 C ATOM 1392 CG PHE A 95 1.895 -6.196 9.802 1.00 0.00 C ATOM 1393 CD1 PHE A 95 1.940 -7.414 10.461 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.132 -5.038 10.525 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.213 -7.475 11.815 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.407 -5.093 11.879 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.448 -6.313 12.524 1.00 0.00 C ATOM 0 H PHE A 95 1.565 -6.841 5.769 1.00 0.00 H new ATOM 0 HA PHE A 95 3.624 -5.881 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.293 -5.117 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.751 -6.784 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.760 -8.326 9.911 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.102 -4.081 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.242 -8.430 12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.589 -4.183 12.431 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.663 -6.359 13.581 1.00 0.00 H new ATOM 1407 N ILE A 96 4.431 -8.143 8.207 1.00 0.00 N ATOM 1408 CA ILE A 96 4.948 -9.465 8.540 1.00 0.00 C ATOM 1409 C ILE A 96 5.605 -9.468 9.916 1.00 0.00 C ATOM 1410 O ILE A 96 6.557 -8.727 10.163 1.00 0.00 O ATOM 1411 CB ILE A 96 5.970 -9.950 7.495 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.412 -9.767 6.081 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.331 -11.407 7.743 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.388 -10.153 4.992 1.00 0.00 C ATOM 0 H ILE A 96 5.096 -7.382 8.348 1.00 0.00 H new ATOM 0 HA ILE A 96 4.096 -10.144 8.545 1.00 0.00 H new ATOM 0 HB ILE A 96 6.876 -9.351 7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.507 -10.366 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.122 -8.725 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.054 -11.735 6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.765 -11.510 8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.433 -12.021 7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.926 -9.998 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.284 -9.537 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.659 -11.203 5.102 1.00 0.00 H new ATOM 1426 N ASP A 97 5.092 -10.307 10.808 1.00 0.00 N ATOM 1427 CA ASP A 97 5.630 -10.410 12.160 1.00 0.00 C ATOM 1428 C ASP A 97 6.486 -11.664 12.310 1.00 0.00 C ATOM 1429 O ASP A 97 7.522 -11.644 12.973 1.00 0.00 O ATOM 1430 CB ASP A 97 4.495 -10.426 13.184 1.00 0.00 C ATOM 1431 CG ASP A 97 4.992 -10.664 14.597 1.00 0.00 C ATOM 1432 OD1 ASP A 97 5.535 -9.715 15.202 1.00 0.00 O ATOM 1433 OD2 ASP A 97 4.838 -11.797 15.097 1.00 0.00 O ATOM 0 H ASP A 97 4.304 -10.926 10.620 1.00 0.00 H new ATOM 0 HA ASP A 97 6.259 -9.539 12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.961 -9.476 13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.780 -11.205 12.918 1.00 0.00 H new ATOM 1438 N ASN A 98 6.043 -12.754 11.692 1.00 0.00 N ATOM 1439 CA ASN A 98 6.768 -14.018 11.758 1.00 0.00 C ATOM 1440 C ASN A 98 7.761 -14.137 10.607 1.00 0.00 C ATOM 1441 O ASN A 98 7.481 -13.755 9.470 1.00 0.00 O ATOM 1442 CB ASN A 98 5.788 -15.193 11.725 1.00 0.00 C ATOM 1443 CG ASN A 98 6.371 -16.448 12.345 1.00 0.00 C ATOM 1444 OD1 ASN A 98 6.715 -17.399 11.642 1.00 0.00 O ATOM 1445 ND2 ASN A 98 6.485 -16.457 13.668 1.00 0.00 N ATOM 0 H ASN A 98 5.186 -12.788 11.140 1.00 0.00 H new ATOM 0 HA ASN A 98 7.323 -14.042 12.696 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.877 -14.918 12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.505 -15.398 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.870 -17.274 14.141 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.187 -15.647 14.211 1.00 0.00 H new ATOM 1452 N PRO A 99 8.951 -14.679 10.905 1.00 0.00 N ATOM 1453 CA PRO A 99 10.010 -14.862 9.908 1.00 0.00 C ATOM 1454 C PRO A 99 9.665 -15.941 8.887 1.00 0.00 C ATOM 1455 O PRO A 99 8.642 -16.615 9.005 1.00 0.00 O ATOM 1456 CB PRO A 99 11.217 -15.288 10.748 1.00 0.00 C ATOM 1457 CG PRO A 99 10.631 -15.903 11.971 1.00 0.00 C ATOM 1458 CD PRO A 99 9.354 -15.156 12.239 1.00 0.00 C ATOM 0 HA PRO A 99 10.178 -13.959 9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.843 -15.999 10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.847 -14.434 10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.437 -16.965 11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.316 -15.821 12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.596 -15.802 12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.510 -14.329 12.931 1.00 0.00 H new ATOM 1466 N ARG A 100 10.524 -16.098 7.886 1.00 0.00 N ATOM 1467 CA ARG A 100 10.309 -17.094 6.844 1.00 0.00 C ATOM 1468 C ARG A 100 11.631 -17.500 6.198 1.00 0.00 C ATOM 1469 O ARG A 100 12.671 -16.891 6.453 1.00 0.00 O ATOM 1470 CB ARG A 100 9.354 -16.552 5.779 1.00 0.00 C ATOM 1471 CG ARG A 100 9.786 -15.215 5.198 1.00 0.00 C ATOM 1472 CD ARG A 100 10.761 -15.398 4.046 1.00 0.00 C ATOM 1473 NE ARG A 100 12.148 -15.430 4.503 1.00 0.00 N ATOM 1474 CZ ARG A 100 12.777 -14.380 5.019 1.00 0.00 C ATOM 1475 NH1 ARG A 100 12.146 -13.221 5.143 1.00 0.00 N ATOM 1476 NH2 ARG A 100 14.039 -14.489 5.412 1.00 0.00 N ATOM 0 H ARG A 100 11.376 -15.548 7.774 1.00 0.00 H new ATOM 0 HA ARG A 100 9.864 -17.975 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.272 -17.280 4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.360 -16.446 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.910 -14.667 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.251 -14.611 5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.531 -16.325 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.634 -14.586 3.331 1.00 0.00 H new ATOM 0 HE ARG A 100 12.662 -16.307 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.175 -13.134 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.631 -12.416 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.527 -15.380 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.521 -13.682 5.808 1.00 0.00 H new ATOM 1490 N HIS A 101 11.583 -18.531 5.361 1.00 0.00 N ATOM 1491 CA HIS A 101 12.776 -19.018 4.678 1.00 0.00 C ATOM 1492 C HIS A 101 12.612 -18.924 3.164 1.00 0.00 C ATOM 1493 O HIS A 101 11.516 -19.112 2.636 1.00 0.00 O ATOM 1494 CB HIS A 101 13.067 -20.463 5.083 1.00 0.00 C ATOM 1495 CG HIS A 101 12.010 -21.431 4.649 1.00 0.00 C ATOM 1496 ND1 HIS A 101 10.885 -21.703 5.398 1.00 0.00 N ATOM 1497 CD2 HIS A 101 11.910 -22.192 3.534 1.00 0.00 C ATOM 1498 CE1 HIS A 101 10.140 -22.591 4.764 1.00 0.00 C ATOM 1499 NE2 HIS A 101 10.740 -22.904 3.629 1.00 0.00 N ATOM 0 H HIS A 101 10.731 -19.046 5.139 1.00 0.00 H new ATOM 0 HA HIS A 101 13.616 -18.390 4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 101 14.023 -20.766 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 101 13.172 -20.514 6.167 1.00 0.00 H new ATOM 0 HD2 HIS A 101 12.619 -22.232 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 101 9.201 -22.993 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 101 10.391 -23.566 2.936 1.00 0.00 H new ATOM 1508 N ILE A 102 13.709 -18.632 2.472 1.00 0.00 N ATOM 1509 CA ILE A 102 13.686 -18.514 1.019 1.00 0.00 C ATOM 1510 C ILE A 102 13.428 -19.866 0.362 1.00 0.00 C ATOM 1511 O ILE A 102 13.982 -20.884 0.775 1.00 0.00 O ATOM 1512 CB ILE A 102 15.008 -17.938 0.480 1.00 0.00 C ATOM 1513 CG1 ILE A 102 15.318 -16.599 1.153 1.00 0.00 C ATOM 1514 CG2 ILE A 102 14.938 -17.775 -1.030 1.00 0.00 C ATOM 1515 CD1 ILE A 102 16.071 -16.738 2.457 1.00 0.00 C ATOM 0 H ILE A 102 14.624 -18.473 2.894 1.00 0.00 H new ATOM 0 HA ILE A 102 12.874 -17.831 0.771 1.00 0.00 H new ATOM 0 HB ILE A 102 15.813 -18.635 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.903 -15.985 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.383 -16.069 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.880 -17.367 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 102 14.759 -18.745 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.125 -17.096 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.256 -15.750 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.479 -17.325 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.022 -17.239 2.276 1.00 0.00 H new ATOM 1527 N SER A 103 12.584 -19.867 -0.665 1.00 0.00 N ATOM 1528 CA SER A 103 12.250 -21.094 -1.379 1.00 0.00 C ATOM 1529 C SER A 103 12.162 -20.841 -2.881 1.00 0.00 C ATOM 1530 O SER A 103 12.298 -19.707 -3.340 1.00 0.00 O ATOM 1531 CB SER A 103 10.926 -21.663 -0.867 1.00 0.00 C ATOM 1532 OG SER A 103 11.094 -22.291 0.392 1.00 0.00 O ATOM 0 H SER A 103 12.119 -19.032 -1.021 1.00 0.00 H new ATOM 0 HA SER A 103 13.043 -21.819 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.191 -20.863 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.533 -22.382 -1.586 1.00 0.00 H new ATOM 0 HG SER A 103 10.233 -22.645 0.698 1.00 0.00 H new ATOM 1538 N GLY A 104 11.932 -21.907 -3.642 1.00 0.00 N ATOM 1539 CA GLY A 104 11.829 -21.780 -5.084 1.00 0.00 C ATOM 1540 C GLY A 104 10.535 -22.356 -5.625 1.00 0.00 C ATOM 1541 O GLY A 104 10.479 -23.501 -6.073 1.00 0.00 O ATOM 0 H GLY A 104 11.815 -22.856 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.898 -20.727 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.673 -22.287 -5.552 1.00 0.00 H new ATOM 1545 N PRO A 105 9.463 -21.550 -5.587 1.00 0.00 N ATOM 1546 CA PRO A 105 8.143 -21.965 -6.072 1.00 0.00 C ATOM 1547 C PRO A 105 8.103 -22.109 -7.590 1.00 0.00 C ATOM 1548 O PRO A 105 7.056 -22.403 -8.167 1.00 0.00 O ATOM 1549 CB PRO A 105 7.225 -20.828 -5.619 1.00 0.00 C ATOM 1550 CG PRO A 105 8.119 -19.642 -5.504 1.00 0.00 C ATOM 1551 CD PRO A 105 9.457 -20.172 -5.067 1.00 0.00 C ATOM 0 HA PRO A 105 7.855 -22.943 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.426 -20.653 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.749 -21.059 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.199 -19.120 -6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 105 7.727 -18.927 -4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.277 -19.583 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.563 -20.151 -3.982 1.00 0.00 H new ATOM 1559 N SER A 106 9.249 -21.901 -8.230 1.00 0.00 N ATOM 1560 CA SER A 106 9.343 -22.005 -9.682 1.00 0.00 C ATOM 1561 C SER A 106 9.400 -23.465 -10.120 1.00 0.00 C ATOM 1562 O SER A 106 10.191 -24.251 -9.599 1.00 0.00 O ATOM 1563 CB SER A 106 10.581 -21.261 -10.188 1.00 0.00 C ATOM 1564 OG SER A 106 10.545 -19.896 -9.809 1.00 0.00 O ATOM 0 H SER A 106 10.125 -21.660 -7.767 1.00 0.00 H new ATOM 0 HA SER A 106 8.451 -21.549 -10.113 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.480 -21.729 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.638 -21.339 -11.274 1.00 0.00 H new ATOM 0 HG SER A 106 11.347 -19.443 -10.142 1.00 0.00 H new ATOM 1570 N SER A 107 8.553 -23.822 -11.081 1.00 0.00 N ATOM 1571 CA SER A 107 8.503 -25.188 -11.587 1.00 0.00 C ATOM 1572 C SER A 107 7.942 -25.222 -13.005 1.00 0.00 C ATOM 1573 O SER A 107 7.257 -24.295 -13.436 1.00 0.00 O ATOM 1574 CB SER A 107 7.649 -26.064 -10.668 1.00 0.00 C ATOM 1575 OG SER A 107 8.323 -26.336 -9.452 1.00 0.00 O ATOM 0 H SER A 107 7.892 -23.184 -11.524 1.00 0.00 H new ATOM 0 HA SER A 107 9.520 -25.579 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.703 -25.564 -10.459 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.410 -27.000 -11.172 1.00 0.00 H new ATOM 0 HG SER A 107 9.083 -25.724 -9.355 1.00 0.00 H new ATOM 1581 N GLY A 108 8.238 -26.298 -13.727 1.00 0.00 N ATOM 1582 CA GLY A 108 7.757 -26.434 -15.089 1.00 0.00 C ATOM 1583 C GLY A 108 6.248 -26.320 -15.185 1.00 0.00 C ATOM 1584 O GLY A 108 5.522 -27.206 -14.734 1.00 0.00 O ATOM 0 H GLY A 108 8.803 -27.079 -13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.217 -25.667 -15.712 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.072 -27.399 -15.488 1.00 0.00 H new TER 1588 GLY A 108