USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.018 (180deg=-0.374) USER MOD Single : A 4 THR OG1 : rot -17:sc= 0.51 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -4.38 (180deg=-6.18!) USER MOD Single : A 29 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-4.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 43 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.981 X(o=-0.98,f=-1) USER MOD Single : A 66 GLN : amide:sc= 0.00393 X(o=0.0039,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.42) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0.692! (180deg=0.425) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.057 -16.036 -5.889 1.00 0.00 N ATOM 2 CA MET A 1 -3.861 -16.236 -7.353 1.00 0.00 C ATOM 3 C MET A 1 -2.676 -15.397 -7.821 1.00 0.00 C ATOM 4 O MET A 1 -2.788 -14.182 -7.984 1.00 0.00 O ATOM 5 CB MET A 1 -5.132 -15.813 -8.097 1.00 0.00 C ATOM 6 CG MET A 1 -6.273 -16.777 -7.749 1.00 0.00 C ATOM 7 SD MET A 1 -7.770 -16.313 -8.660 1.00 0.00 S ATOM 8 CE MET A 1 -8.387 -15.060 -7.506 1.00 0.00 C ATOM 0 H1 MET A 1 -4.654 -16.799 -5.511 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.134 -16.050 -5.410 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.520 -15.120 -5.723 1.00 0.00 H new ATOM 0 HA MET A 1 -3.659 -17.287 -7.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.405 -14.794 -7.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.955 -15.816 -9.172 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.987 -17.799 -7.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.467 -16.753 -6.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.319 -14.642 -7.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.566 -15.518 -6.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.648 -14.265 -7.403 1.00 0.00 H new ATOM 20 N GLU A 2 -1.538 -16.054 -8.028 1.00 0.00 N ATOM 21 CA GLU A 2 -0.332 -15.359 -8.470 1.00 0.00 C ATOM 22 C GLU A 2 0.037 -14.248 -7.480 1.00 0.00 C ATOM 23 O GLU A 2 0.138 -13.082 -7.859 1.00 0.00 O ATOM 24 CB GLU A 2 -0.558 -14.762 -9.874 1.00 0.00 C ATOM 25 CG GLU A 2 0.789 -14.384 -10.513 1.00 0.00 C ATOM 26 CD GLU A 2 0.560 -13.671 -11.843 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.177 -14.201 -12.657 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.128 -12.607 -12.028 1.00 0.00 O ATOM 0 H GLU A 2 -1.425 -17.059 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 2 0.490 -16.073 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.078 -15.483 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.196 -13.881 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.351 -13.739 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.389 -15.280 -10.671 1.00 0.00 H new ATOM 35 N PRO A 3 0.235 -14.581 -6.224 1.00 0.00 N ATOM 36 CA PRO A 3 0.596 -13.575 -5.177 1.00 0.00 C ATOM 37 C PRO A 3 2.023 -13.052 -5.368 1.00 0.00 C ATOM 38 O PRO A 3 2.419 -12.067 -4.746 1.00 0.00 O ATOM 39 CB PRO A 3 0.438 -14.358 -3.855 1.00 0.00 C ATOM 40 CG PRO A 3 0.700 -15.785 -4.233 1.00 0.00 C ATOM 41 CD PRO A 3 0.138 -15.946 -5.657 1.00 0.00 C ATOM 0 HA PRO A 3 -0.030 -12.683 -5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.144 -14.011 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.561 -14.235 -3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.766 -16.008 -4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.212 -16.470 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.717 -16.664 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.892 -16.303 -5.644 1.00 0.00 H new ATOM 49 N THR A 4 2.786 -13.738 -6.218 1.00 0.00 N ATOM 50 CA THR A 4 4.176 -13.369 -6.493 1.00 0.00 C ATOM 51 C THR A 4 5.019 -13.430 -5.218 1.00 0.00 C ATOM 52 O THR A 4 6.232 -13.232 -5.264 1.00 0.00 O ATOM 53 CB THR A 4 4.261 -11.957 -7.104 1.00 0.00 C ATOM 54 OG1 THR A 4 4.054 -10.982 -6.093 1.00 0.00 O ATOM 55 CG2 THR A 4 3.198 -11.799 -8.193 1.00 0.00 C ATOM 0 H THR A 4 2.463 -14.558 -6.732 1.00 0.00 H new ATOM 0 HA THR A 4 4.571 -14.087 -7.212 1.00 0.00 H new ATOM 0 HB THR A 4 5.249 -11.818 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.637 -11.403 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.262 -10.799 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.365 -12.540 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.209 -11.945 -7.760 1.00 0.00 H new ATOM 63 N ALA A 5 4.368 -13.711 -4.087 1.00 0.00 N ATOM 64 CA ALA A 5 5.055 -13.802 -2.798 1.00 0.00 C ATOM 65 C ALA A 5 5.534 -12.424 -2.336 1.00 0.00 C ATOM 66 O ALA A 5 5.447 -12.091 -1.155 1.00 0.00 O ATOM 67 CB ALA A 5 6.244 -14.781 -2.888 1.00 0.00 C ATOM 0 H ALA A 5 3.363 -13.880 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 5 4.346 -14.181 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.744 -14.837 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.881 -15.770 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.949 -14.429 -3.641 1.00 0.00 H new ATOM 73 N PHE A 6 6.043 -11.637 -3.276 1.00 0.00 N ATOM 74 CA PHE A 6 6.544 -10.302 -2.971 1.00 0.00 C ATOM 75 C PHE A 6 7.626 -10.385 -1.896 1.00 0.00 C ATOM 76 O PHE A 6 7.339 -10.637 -0.725 1.00 0.00 O ATOM 77 CB PHE A 6 5.381 -9.389 -2.499 1.00 0.00 C ATOM 78 CG PHE A 6 5.539 -7.978 -3.047 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.915 -7.617 -4.249 1.00 0.00 C ATOM 80 CD2 PHE A 6 6.307 -7.037 -2.351 1.00 0.00 C ATOM 81 CE1 PHE A 6 5.057 -6.318 -4.750 1.00 0.00 C ATOM 82 CE2 PHE A 6 6.449 -5.739 -2.852 1.00 0.00 C ATOM 83 CZ PHE A 6 5.823 -5.379 -4.050 1.00 0.00 C ATOM 0 H PHE A 6 6.120 -11.901 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 6 6.978 -9.871 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.429 -9.806 -2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.356 -9.359 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.324 -8.342 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.791 -7.314 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.576 -6.040 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.042 -5.014 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.931 -4.376 -4.435 1.00 0.00 H new ATOM 93 N SER A 7 8.870 -10.169 -2.305 1.00 0.00 N ATOM 94 CA SER A 7 9.999 -10.215 -1.380 1.00 0.00 C ATOM 95 C SER A 7 10.259 -8.837 -0.783 1.00 0.00 C ATOM 96 O SER A 7 9.604 -7.859 -1.139 1.00 0.00 O ATOM 97 CB SER A 7 11.245 -10.689 -2.119 1.00 0.00 C ATOM 98 OG SER A 7 10.958 -11.906 -2.793 1.00 0.00 O ATOM 0 H SER A 7 9.124 -9.960 -3.271 1.00 0.00 H new ATOM 0 HA SER A 7 9.760 -10.908 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.568 -9.932 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.065 -10.834 -1.416 1.00 0.00 H new ATOM 0 HG SER A 7 11.757 -12.212 -3.270 1.00 0.00 H new ATOM 104 N GLY A 8 11.222 -8.771 0.129 1.00 0.00 N ATOM 105 CA GLY A 8 11.573 -7.511 0.773 1.00 0.00 C ATOM 106 C GLY A 8 12.287 -6.578 -0.198 1.00 0.00 C ATOM 107 O GLY A 8 12.239 -5.356 -0.050 1.00 0.00 O ATOM 0 H GLY A 8 11.772 -9.572 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.671 -7.028 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.214 -7.705 1.633 1.00 0.00 H new ATOM 111 N SER A 9 12.961 -7.162 -1.188 1.00 0.00 N ATOM 112 CA SER A 9 13.695 -6.373 -2.175 1.00 0.00 C ATOM 113 C SER A 9 12.729 -5.633 -3.093 1.00 0.00 C ATOM 114 O SER A 9 13.085 -4.623 -3.702 1.00 0.00 O ATOM 115 CB SER A 9 14.600 -7.285 -3.006 1.00 0.00 C ATOM 116 OG SER A 9 15.390 -8.082 -2.133 1.00 0.00 O ATOM 0 H SER A 9 13.014 -8.171 -1.327 1.00 0.00 H new ATOM 0 HA SER A 9 14.307 -5.642 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.998 -7.922 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.242 -6.688 -3.653 1.00 0.00 H new ATOM 0 HG SER A 9 15.970 -8.669 -2.661 1.00 0.00 H new ATOM 122 N ASP A 10 11.500 -6.134 -3.178 1.00 0.00 N ATOM 123 CA ASP A 10 10.483 -5.505 -4.010 1.00 0.00 C ATOM 124 C ASP A 10 10.096 -4.166 -3.384 1.00 0.00 C ATOM 125 O ASP A 10 10.172 -4.014 -2.166 1.00 0.00 O ATOM 126 CB ASP A 10 9.250 -6.411 -4.108 1.00 0.00 C ATOM 127 CG ASP A 10 9.580 -7.676 -4.893 1.00 0.00 C ATOM 128 OD1 ASP A 10 10.589 -7.681 -5.581 1.00 0.00 O ATOM 129 OD2 ASP A 10 8.820 -8.627 -4.793 1.00 0.00 O ATOM 0 H ASP A 10 11.187 -6.969 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 10 10.876 -5.345 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.905 -6.675 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.435 -5.875 -4.595 1.00 0.00 H new ATOM 134 N VAL A 11 9.700 -3.193 -4.215 1.00 0.00 N ATOM 135 CA VAL A 11 9.324 -1.852 -3.726 1.00 0.00 C ATOM 136 C VAL A 11 7.936 -1.438 -4.271 1.00 0.00 C ATOM 137 O VAL A 11 7.712 -1.498 -5.479 1.00 0.00 O ATOM 138 CB VAL A 11 10.388 -0.833 -4.178 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.709 -1.124 -3.456 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.617 -0.930 -5.697 1.00 0.00 C ATOM 0 H VAL A 11 9.630 -3.305 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 11 9.270 -1.875 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 11 10.037 0.170 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.464 -0.405 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.561 -1.042 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.043 -2.132 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.371 -0.203 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.959 -1.934 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.683 -0.722 -6.220 1.00 0.00 H new ATOM 150 N PRO A 12 6.987 -1.029 -3.433 1.00 0.00 N ATOM 151 CA PRO A 12 5.636 -0.625 -3.927 1.00 0.00 C ATOM 152 C PRO A 12 5.639 0.777 -4.546 1.00 0.00 C ATOM 153 O PRO A 12 6.379 1.660 -4.111 1.00 0.00 O ATOM 154 CB PRO A 12 4.766 -0.683 -2.656 1.00 0.00 C ATOM 155 CG PRO A 12 5.708 -0.308 -1.556 1.00 0.00 C ATOM 156 CD PRO A 12 7.074 -0.904 -1.955 1.00 0.00 C ATOM 0 HA PRO A 12 5.272 -1.271 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.926 0.009 -2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.349 -1.678 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.770 0.775 -1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.371 -0.707 -0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.897 -0.254 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.243 -1.871 -1.481 1.00 0.00 H new ATOM 164 N ARG A 13 4.786 0.967 -5.552 1.00 0.00 N ATOM 165 CA ARG A 13 4.651 2.255 -6.236 1.00 0.00 C ATOM 166 C ARG A 13 3.290 2.324 -6.920 1.00 0.00 C ATOM 167 O ARG A 13 2.941 1.446 -7.708 1.00 0.00 O ATOM 168 CB ARG A 13 5.768 2.435 -7.270 1.00 0.00 C ATOM 169 CG ARG A 13 5.662 3.824 -7.908 1.00 0.00 C ATOM 170 CD ARG A 13 6.860 4.071 -8.825 1.00 0.00 C ATOM 171 NE ARG A 13 6.827 5.446 -9.319 1.00 0.00 N ATOM 172 CZ ARG A 13 7.191 6.468 -8.547 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.155 7.686 -9.014 1.00 0.00 N ATOM 174 NH2 ARG A 13 7.573 6.250 -7.318 1.00 0.00 N ATOM 0 H ARG A 13 4.172 0.238 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 13 4.731 3.057 -5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.741 2.317 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.694 1.665 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.736 3.902 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.624 4.588 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.788 3.891 -8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.840 3.373 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 13 6.519 5.626 -10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.848 7.856 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.434 8.468 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.592 5.298 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.852 7.031 -6.725 1.00 0.00 H new ATOM 188 N LEU A 14 2.520 3.361 -6.609 1.00 0.00 N ATOM 189 CA LEU A 14 1.190 3.521 -7.199 1.00 0.00 C ATOM 190 C LEU A 14 1.295 3.873 -8.699 1.00 0.00 C ATOM 191 O LEU A 14 2.010 4.813 -9.051 1.00 0.00 O ATOM 192 CB LEU A 14 0.431 4.633 -6.467 1.00 0.00 C ATOM 193 CG LEU A 14 0.384 4.340 -4.954 1.00 0.00 C ATOM 194 CD1 LEU A 14 -0.286 5.517 -4.240 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.415 3.044 -4.668 1.00 0.00 C ATOM 0 H LEU A 14 2.788 4.099 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 14 0.652 2.578 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.917 5.592 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.582 4.712 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 14 1.402 4.205 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.324 5.319 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.287 6.426 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.299 5.645 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.434 2.858 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.435 3.157 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.061 2.204 -5.173 1.00 0.00 H new ATOM 207 N PRO A 15 0.615 3.166 -9.597 1.00 0.00 N ATOM 208 CA PRO A 15 0.685 3.475 -11.059 1.00 0.00 C ATOM 209 C PRO A 15 -0.084 4.747 -11.412 1.00 0.00 C ATOM 210 O PRO A 15 -0.968 5.182 -10.674 1.00 0.00 O ATOM 211 CB PRO A 15 0.072 2.227 -11.731 1.00 0.00 C ATOM 212 CG PRO A 15 -0.895 1.697 -10.718 1.00 0.00 C ATOM 213 CD PRO A 15 -0.280 2.014 -9.338 1.00 0.00 C ATOM 0 HA PRO A 15 1.704 3.671 -11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.430 2.484 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.837 1.490 -11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.872 2.168 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.042 0.624 -10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.049 2.263 -8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.272 1.161 -8.942 1.00 0.00 H new ATOM 221 N ARG A 16 0.267 5.334 -12.549 1.00 0.00 N ATOM 222 CA ARG A 16 -0.387 6.553 -13.002 1.00 0.00 C ATOM 223 C ARG A 16 -1.890 6.336 -13.133 1.00 0.00 C ATOM 224 O ARG A 16 -2.348 5.236 -13.447 1.00 0.00 O ATOM 225 CB ARG A 16 0.190 6.985 -14.354 1.00 0.00 C ATOM 226 CG ARG A 16 1.645 7.423 -14.176 1.00 0.00 C ATOM 227 CD ARG A 16 2.232 7.806 -15.536 1.00 0.00 C ATOM 228 NE ARG A 16 2.328 6.627 -16.391 1.00 0.00 N ATOM 229 CZ ARG A 16 2.758 6.719 -17.646 1.00 0.00 C ATOM 230 NH1 ARG A 16 2.828 5.650 -18.391 1.00 0.00 N ATOM 231 NH2 ARG A 16 3.109 7.878 -18.132 1.00 0.00 N ATOM 0 H ARG A 16 0.997 4.987 -13.171 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.207 7.336 -12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.132 6.161 -15.065 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.399 7.804 -14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.700 8.270 -13.493 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.227 6.616 -13.731 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.605 8.560 -16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.219 8.250 -15.403 1.00 0.00 H new ATOM 0 HE ARG A 16 2.060 5.716 -16.019 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.553 4.744 -18.011 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.158 5.720 -19.354 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.054 8.713 -17.549 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.439 7.949 -19.095 1.00 0.00 H new ATOM 245 N GLY A 17 -2.651 7.400 -12.896 1.00 0.00 N ATOM 246 CA GLY A 17 -4.107 7.339 -12.989 1.00 0.00 C ATOM 247 C GLY A 17 -4.716 6.805 -11.697 1.00 0.00 C ATOM 248 O GLY A 17 -5.898 6.461 -11.657 1.00 0.00 O ATOM 0 H GLY A 17 -2.284 8.316 -12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.503 8.333 -13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.395 6.699 -13.823 1.00 0.00 H new ATOM 252 N VAL A 18 -3.902 6.740 -10.637 1.00 0.00 N ATOM 253 CA VAL A 18 -4.363 6.249 -9.330 1.00 0.00 C ATOM 254 C VAL A 18 -3.917 7.201 -8.230 1.00 0.00 C ATOM 255 O VAL A 18 -2.756 7.607 -8.174 1.00 0.00 O ATOM 256 CB VAL A 18 -3.796 4.850 -9.064 1.00 0.00 C ATOM 257 CG1 VAL A 18 -4.313 4.329 -7.716 1.00 0.00 C ATOM 258 CG2 VAL A 18 -4.242 3.905 -10.182 1.00 0.00 C ATOM 0 H VAL A 18 -2.922 7.021 -10.657 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.452 6.197 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.707 4.898 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.908 3.334 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.997 5.003 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.402 4.279 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.841 2.908 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.331 3.859 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.872 4.273 -11.139 1.00 0.00 H new ATOM 268 N ARG A 19 -4.856 7.559 -7.352 1.00 0.00 N ATOM 269 CA ARG A 19 -4.578 8.472 -6.241 1.00 0.00 C ATOM 270 C ARG A 19 -5.229 7.961 -4.966 1.00 0.00 C ATOM 271 O ARG A 19 -6.169 7.165 -5.008 1.00 0.00 O ATOM 272 CB ARG A 19 -5.118 9.862 -6.566 1.00 0.00 C ATOM 273 CG ARG A 19 -4.390 10.408 -7.793 1.00 0.00 C ATOM 274 CD ARG A 19 -4.927 11.794 -8.132 1.00 0.00 C ATOM 275 NE ARG A 19 -6.317 11.704 -8.561 1.00 0.00 N ATOM 276 CZ ARG A 19 -7.025 12.795 -8.835 1.00 0.00 C ATOM 277 NH1 ARG A 19 -8.264 12.686 -9.225 1.00 0.00 N ATOM 278 NH2 ARG A 19 -6.480 13.975 -8.709 1.00 0.00 N ATOM 0 H ARG A 19 -5.820 7.229 -7.389 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.499 8.526 -6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.190 9.814 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.974 10.529 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.319 10.459 -7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.529 9.736 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.849 12.445 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.324 12.243 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.754 10.787 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.690 11.764 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.808 13.523 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.511 14.059 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.023 14.813 -8.919 1.00 0.00 H new ATOM 292 N LEU A 20 -4.718 8.420 -3.826 1.00 0.00 N ATOM 293 CA LEU A 20 -5.245 8.005 -2.526 1.00 0.00 C ATOM 294 C LEU A 20 -6.338 8.963 -2.075 1.00 0.00 C ATOM 295 O LEU A 20 -6.248 10.171 -2.297 1.00 0.00 O ATOM 296 CB LEU A 20 -4.115 8.002 -1.494 1.00 0.00 C ATOM 297 CG LEU A 20 -2.919 7.198 -2.020 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.823 7.203 -0.955 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.337 5.745 -2.340 1.00 0.00 C ATOM 0 H LEU A 20 -3.941 9.078 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.663 7.003 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.808 9.025 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.469 7.571 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.551 7.654 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.965 6.635 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.519 8.230 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.203 6.748 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.475 5.192 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.713 5.267 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.119 5.750 -3.099 1.00 0.00 H new ATOM 311 N ARG A 21 -7.376 8.417 -1.437 1.00 0.00 N ATOM 312 CA ARG A 21 -8.498 9.227 -0.950 1.00 0.00 C ATOM 313 C ARG A 21 -8.909 8.768 0.442 1.00 0.00 C ATOM 314 O ARG A 21 -8.937 7.572 0.734 1.00 0.00 O ATOM 315 CB ARG A 21 -9.692 9.094 -1.900 1.00 0.00 C ATOM 316 CG ARG A 21 -9.321 9.677 -3.264 1.00 0.00 C ATOM 317 CD ARG A 21 -10.497 9.526 -4.226 1.00 0.00 C ATOM 318 NE ARG A 21 -11.635 10.311 -3.760 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.798 10.289 -4.403 1.00 0.00 C ATOM 320 NH1 ARG A 21 -13.800 10.996 -3.957 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.939 9.563 -5.479 1.00 0.00 N ATOM 0 H ARG A 21 -7.464 7.419 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.182 10.269 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.973 8.046 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.557 9.617 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.056 10.729 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.445 9.166 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.204 9.854 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.779 8.476 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.536 10.888 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.690 11.564 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.694 10.981 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.156 9.011 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.833 9.548 -5.971 1.00 0.00 H new ATOM 335 N PHE A 22 -9.225 9.733 1.307 1.00 0.00 N ATOM 336 CA PHE A 22 -9.635 9.437 2.681 1.00 0.00 C ATOM 337 C PHE A 22 -11.154 9.488 2.802 1.00 0.00 C ATOM 338 O PHE A 22 -11.776 10.516 2.533 1.00 0.00 O ATOM 339 CB PHE A 22 -9.005 10.458 3.633 1.00 0.00 C ATOM 340 CG PHE A 22 -9.416 10.144 5.060 1.00 0.00 C ATOM 341 CD1 PHE A 22 -8.931 8.985 5.679 1.00 0.00 C ATOM 342 CD2 PHE A 22 -10.278 11.002 5.764 1.00 0.00 C ATOM 343 CE1 PHE A 22 -9.302 8.683 6.995 1.00 0.00 C ATOM 344 CE2 PHE A 22 -10.647 10.697 7.081 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.160 9.539 7.695 1.00 0.00 C ATOM 0 H PHE A 22 -9.205 10.727 1.080 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.296 8.435 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.919 10.433 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.324 11.465 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.269 8.323 5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.656 11.896 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.926 7.789 7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.308 11.357 7.622 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.446 9.305 8.710 1.00 0.00 H new ATOM 355 N ASP A 23 -11.746 8.367 3.214 1.00 0.00 N ATOM 356 CA ASP A 23 -13.197 8.282 3.376 1.00 0.00 C ATOM 357 C ASP A 23 -13.584 8.746 4.774 1.00 0.00 C ATOM 358 O ASP A 23 -13.362 8.039 5.754 1.00 0.00 O ATOM 359 CB ASP A 23 -13.651 6.832 3.171 1.00 0.00 C ATOM 360 CG ASP A 23 -13.455 6.421 1.714 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.239 7.297 0.892 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.524 5.234 1.441 1.00 0.00 O ATOM 0 H ASP A 23 -11.245 7.508 3.441 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.681 8.921 2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.082 6.169 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.700 6.729 3.448 1.00 0.00 H new ATOM 367 N GLU A 24 -14.154 9.941 4.856 1.00 0.00 N ATOM 368 CA GLU A 24 -14.560 10.499 6.141 1.00 0.00 C ATOM 369 C GLU A 24 -15.670 9.668 6.773 1.00 0.00 C ATOM 370 O GLU A 24 -15.715 9.494 7.990 1.00 0.00 O ATOM 371 CB GLU A 24 -15.034 11.941 5.949 1.00 0.00 C ATOM 372 CG GLU A 24 -15.376 12.558 7.307 1.00 0.00 C ATOM 373 CD GLU A 24 -15.704 14.037 7.137 1.00 0.00 C ATOM 374 OE1 GLU A 24 -14.902 14.736 6.540 1.00 0.00 O ATOM 375 OE2 GLU A 24 -16.750 14.449 7.609 1.00 0.00 O ATOM 0 H GLU A 24 -14.345 10.541 4.053 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.700 10.482 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.257 12.527 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.908 11.963 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.225 12.037 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.537 12.439 7.992 1.00 0.00 H new ATOM 382 N VAL A 25 -16.570 9.169 5.944 1.00 0.00 N ATOM 383 CA VAL A 25 -17.686 8.371 6.439 1.00 0.00 C ATOM 384 C VAL A 25 -17.189 7.102 7.123 1.00 0.00 C ATOM 385 O VAL A 25 -17.659 6.738 8.201 1.00 0.00 O ATOM 386 CB VAL A 25 -18.632 8.034 5.261 1.00 0.00 C ATOM 387 CG1 VAL A 25 -17.831 7.610 4.017 1.00 0.00 C ATOM 388 CG2 VAL A 25 -19.627 6.920 5.651 1.00 0.00 C ATOM 0 H VAL A 25 -16.554 9.299 4.932 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.235 8.946 7.185 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.196 8.936 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.518 7.378 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.171 8.423 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.235 6.728 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -20.280 6.703 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -19.076 6.020 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.228 7.250 6.498 1.00 0.00 H new ATOM 398 N ARG A 26 -16.247 6.434 6.484 1.00 0.00 N ATOM 399 CA ARG A 26 -15.686 5.199 7.003 1.00 0.00 C ATOM 400 C ARG A 26 -14.421 5.479 7.812 1.00 0.00 C ATOM 401 O ARG A 26 -13.896 4.592 8.485 1.00 0.00 O ATOM 402 CB ARG A 26 -15.389 4.282 5.816 1.00 0.00 C ATOM 403 CG ARG A 26 -16.702 3.757 5.222 1.00 0.00 C ATOM 404 CD ARG A 26 -16.397 2.876 4.014 1.00 0.00 C ATOM 405 NE ARG A 26 -17.635 2.329 3.462 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.193 1.228 3.966 1.00 0.00 C ATOM 407 NH1 ARG A 26 -19.292 0.757 3.447 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.636 0.623 4.980 1.00 0.00 N ATOM 0 H ARG A 26 -15.849 6.731 5.593 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.395 4.716 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.828 4.826 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.765 3.448 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.251 3.187 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.339 4.591 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.877 3.457 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.731 2.064 4.306 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.081 2.799 2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.726 1.231 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.718 -0.085 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.776 0.993 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.061 -0.219 5.367 1.00 0.00 H new ATOM 422 N ASN A 27 -13.946 6.718 7.751 1.00 0.00 N ATOM 423 CA ASN A 27 -12.752 7.102 8.494 1.00 0.00 C ATOM 424 C ASN A 27 -11.582 6.178 8.174 1.00 0.00 C ATOM 425 O ASN A 27 -10.827 5.788 9.064 1.00 0.00 O ATOM 426 CB ASN A 27 -13.036 7.068 9.992 1.00 0.00 C ATOM 427 CG ASN A 27 -14.243 7.942 10.307 1.00 0.00 C ATOM 428 OD1 ASN A 27 -15.215 7.472 10.898 1.00 0.00 O ATOM 429 ND2 ASN A 27 -14.236 9.195 9.948 1.00 0.00 N ATOM 0 H ASN A 27 -14.365 7.467 7.200 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.482 8.115 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.224 6.043 10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.165 7.421 10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.038 9.790 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.429 9.581 9.458 1.00 0.00 H new ATOM 436 N LYS A 28 -11.433 5.832 6.896 1.00 0.00 N ATOM 437 CA LYS A 28 -10.345 4.953 6.457 1.00 0.00 C ATOM 438 C LYS A 28 -9.862 5.392 5.078 1.00 0.00 C ATOM 439 O LYS A 28 -10.554 6.126 4.374 1.00 0.00 O ATOM 440 CB LYS A 28 -10.830 3.480 6.417 1.00 0.00 C ATOM 441 CG LYS A 28 -11.755 3.232 5.209 1.00 0.00 C ATOM 442 CD LYS A 28 -12.344 1.810 5.265 1.00 0.00 C ATOM 443 CE LYS A 28 -12.959 1.458 3.896 1.00 0.00 C ATOM 444 NZ LYS A 28 -13.603 2.669 3.308 1.00 0.00 N ATOM 0 H LYS A 28 -12.050 6.145 6.146 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.518 5.023 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.970 2.812 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.360 3.243 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.561 3.966 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.197 3.365 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.566 1.092 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.104 1.749 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.186 1.083 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.695 0.662 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.277 2.380 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.107 3.191 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.874 3.281 2.890 1.00 0.00 H new ATOM 458 N HIS A 29 -8.679 4.924 4.692 1.00 0.00 N ATOM 459 CA HIS A 29 -8.113 5.257 3.383 1.00 0.00 C ATOM 460 C HIS A 29 -8.468 4.169 2.382 1.00 0.00 C ATOM 461 O HIS A 29 -8.596 2.999 2.741 1.00 0.00 O ATOM 462 CB HIS A 29 -6.596 5.371 3.487 1.00 0.00 C ATOM 463 CG HIS A 29 -6.238 6.535 4.367 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.255 6.449 5.749 1.00 0.00 N ATOM 465 CD2 HIS A 29 -5.864 7.823 4.076 1.00 0.00 C ATOM 466 CE1 HIS A 29 -5.904 7.653 6.235 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.654 8.528 5.257 1.00 0.00 N ATOM 0 H HIS A 29 -8.093 4.315 5.263 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.524 6.210 3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.179 4.451 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.162 5.504 2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.750 8.228 3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.833 7.884 7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.370 9.503 5.355 1.00 0.00 H new ATOM 475 N VAL A 30 -8.630 4.560 1.121 1.00 0.00 N ATOM 476 CA VAL A 30 -8.978 3.615 0.059 1.00 0.00 C ATOM 477 C VAL A 30 -8.194 3.946 -1.205 1.00 0.00 C ATOM 478 O VAL A 30 -7.732 5.074 -1.377 1.00 0.00 O ATOM 479 CB VAL A 30 -10.483 3.700 -0.229 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.277 3.392 1.049 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.843 5.110 -0.731 1.00 0.00 C ATOM 0 H VAL A 30 -8.526 5.525 0.807 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.727 2.604 0.380 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.737 2.969 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.345 3.454 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.033 2.388 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.017 4.115 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.913 5.162 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.581 5.845 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.290 5.323 -1.646 1.00 0.00 H new ATOM 491 N LEU A 31 -8.058 2.962 -2.098 1.00 0.00 N ATOM 492 CA LEU A 31 -7.339 3.159 -3.363 1.00 0.00 C ATOM 493 C LEU A 31 -8.335 3.314 -4.505 1.00 0.00 C ATOM 494 O LEU A 31 -9.123 2.407 -4.776 1.00 0.00 O ATOM 495 CB LEU A 31 -6.434 1.944 -3.647 1.00 0.00 C ATOM 496 CG LEU A 31 -5.534 2.194 -4.879 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.545 3.362 -4.623 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.752 0.907 -5.181 1.00 0.00 C ATOM 0 H LEU A 31 -8.435 2.023 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.729 4.059 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.813 1.738 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.049 1.060 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.160 2.468 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.925 3.514 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.105 4.273 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.909 3.120 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.111 1.066 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.138 0.644 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.451 0.097 -5.390 1.00 0.00 H new ATOM 510 N LEU A 32 -8.286 4.455 -5.186 1.00 0.00 N ATOM 511 CA LEU A 32 -9.180 4.697 -6.316 1.00 0.00 C ATOM 512 C LEU A 32 -8.628 3.988 -7.545 1.00 0.00 C ATOM 513 O LEU A 32 -7.745 4.513 -8.220 1.00 0.00 O ATOM 514 CB LEU A 32 -9.275 6.206 -6.588 1.00 0.00 C ATOM 515 CG LEU A 32 -10.253 6.509 -7.743 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.686 6.038 -7.401 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.245 8.022 -7.994 1.00 0.00 C ATOM 0 H LEU A 32 -7.644 5.220 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.175 4.315 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.605 6.720 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.287 6.596 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.934 5.971 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.352 6.265 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.683 4.963 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.035 6.554 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.930 8.259 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.561 8.542 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.238 8.341 -8.263 1.00 0.00 H new ATOM 529 N ALA A 33 -9.141 2.791 -7.835 1.00 0.00 N ATOM 530 CA ALA A 33 -8.671 2.020 -8.993 1.00 0.00 C ATOM 531 C ALA A 33 -9.610 2.238 -10.192 1.00 0.00 C ATOM 532 O ALA A 33 -10.812 2.404 -9.997 1.00 0.00 O ATOM 533 CB ALA A 33 -8.648 0.532 -8.643 1.00 0.00 C ATOM 0 H ALA A 33 -9.875 2.336 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.668 2.356 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.299 -0.039 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.976 0.367 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.653 0.206 -8.375 1.00 0.00 H new ATOM 539 N PRO A 34 -9.122 2.227 -11.422 1.00 0.00 N ATOM 540 CA PRO A 34 -10.007 2.414 -12.614 1.00 0.00 C ATOM 541 C PRO A 34 -11.265 1.539 -12.560 1.00 0.00 C ATOM 542 O PRO A 34 -12.339 1.959 -12.989 1.00 0.00 O ATOM 543 CB PRO A 34 -9.113 1.994 -13.800 1.00 0.00 C ATOM 544 CG PRO A 34 -7.713 2.281 -13.351 1.00 0.00 C ATOM 545 CD PRO A 34 -7.702 2.063 -11.825 1.00 0.00 C ATOM 0 HA PRO A 34 -10.377 3.437 -12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.243 0.938 -14.037 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.362 2.556 -14.700 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.002 1.619 -13.845 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.425 3.302 -13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.327 1.073 -11.567 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.060 2.787 -11.324 1.00 0.00 H new ATOM 553 N GLU A 35 -11.118 0.314 -12.060 1.00 0.00 N ATOM 554 CA GLU A 35 -12.249 -0.608 -11.996 1.00 0.00 C ATOM 555 C GLU A 35 -13.235 -0.197 -10.907 1.00 0.00 C ATOM 556 O GLU A 35 -14.428 -0.058 -11.175 1.00 0.00 O ATOM 557 CB GLU A 35 -11.732 -2.024 -11.708 1.00 0.00 C ATOM 558 CG GLU A 35 -12.887 -3.032 -11.768 1.00 0.00 C ATOM 559 CD GLU A 35 -12.358 -4.452 -11.575 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.212 -4.590 -11.175 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.105 -5.379 -11.833 1.00 0.00 O ATOM 0 H GLU A 35 -10.240 -0.059 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.768 -0.583 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.966 -2.294 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.263 -2.055 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.621 -2.801 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.398 -2.954 -12.727 1.00 0.00 H new ATOM 568 N ARG A 36 -12.726 0.007 -9.692 1.00 0.00 N ATOM 569 CA ARG A 36 -13.573 0.405 -8.565 1.00 0.00 C ATOM 570 C ARG A 36 -12.724 0.648 -7.323 1.00 0.00 C ATOM 571 O ARG A 36 -11.677 0.029 -7.144 1.00 0.00 O ATOM 572 CB ARG A 36 -14.597 -0.695 -8.257 1.00 0.00 C ATOM 573 CG ARG A 36 -15.540 -0.231 -7.140 1.00 0.00 C ATOM 574 CD ARG A 36 -16.663 -1.252 -6.968 1.00 0.00 C ATOM 575 NE ARG A 36 -17.502 -1.272 -8.162 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.441 -2.196 -8.330 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.176 -2.189 -9.408 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.625 -3.112 -7.420 1.00 0.00 N ATOM 0 H ARG A 36 -11.737 -0.096 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.091 1.324 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.170 -0.932 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.084 -1.608 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.989 -0.120 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.956 0.747 -7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.243 -2.242 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.264 -1.001 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.364 -0.562 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.029 -1.474 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.897 -2.898 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.048 -3.119 -6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.346 -3.822 -7.549 1.00 0.00 H new ATOM 592 N THR A 37 -13.194 1.534 -6.453 1.00 0.00 N ATOM 593 CA THR A 37 -12.475 1.832 -5.219 1.00 0.00 C ATOM 594 C THR A 37 -12.540 0.638 -4.270 1.00 0.00 C ATOM 595 O THR A 37 -13.616 0.094 -4.014 1.00 0.00 O ATOM 596 CB THR A 37 -13.093 3.060 -4.544 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.057 4.159 -5.444 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.312 3.406 -3.273 1.00 0.00 C ATOM 0 H THR A 37 -14.062 2.055 -6.577 1.00 0.00 H new ATOM 0 HA THR A 37 -11.432 2.037 -5.460 1.00 0.00 H new ATOM 0 HB THR A 37 -14.127 2.842 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.453 4.946 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.758 4.280 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.346 2.562 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.275 3.622 -3.531 1.00 0.00 H new ATOM 606 N PHE A 38 -11.378 0.230 -3.747 1.00 0.00 N ATOM 607 CA PHE A 38 -11.297 -0.909 -2.820 1.00 0.00 C ATOM 608 C PHE A 38 -11.136 -0.420 -1.387 1.00 0.00 C ATOM 609 O PHE A 38 -10.399 0.531 -1.122 1.00 0.00 O ATOM 610 CB PHE A 38 -10.100 -1.794 -3.192 1.00 0.00 C ATOM 611 CG PHE A 38 -10.361 -2.459 -4.529 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.829 -1.918 -5.709 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.138 -3.623 -4.584 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.076 -2.541 -6.937 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.385 -4.244 -5.813 1.00 0.00 C ATOM 616 CZ PHE A 38 -10.854 -3.704 -6.989 1.00 0.00 C ATOM 0 H PHE A 38 -10.480 0.670 -3.949 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.219 -1.485 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.192 -1.193 -3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.939 -2.550 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.229 -1.021 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.547 -4.042 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.666 -2.125 -7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.986 -5.141 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.044 -4.184 -7.937 1.00 0.00 H new ATOM 626 N ASP A 39 -11.826 -1.082 -0.461 1.00 0.00 N ATOM 627 CA ASP A 39 -11.749 -0.713 0.948 1.00 0.00 C ATOM 628 C ASP A 39 -10.419 -1.176 1.539 1.00 0.00 C ATOM 629 O ASP A 39 -10.116 -2.368 1.543 1.00 0.00 O ATOM 630 CB ASP A 39 -12.910 -1.343 1.725 1.00 0.00 C ATOM 631 CG ASP A 39 -14.233 -0.721 1.287 1.00 0.00 C ATOM 632 OD1 ASP A 39 -14.198 0.328 0.662 1.00 0.00 O ATOM 633 OD2 ASP A 39 -15.264 -1.302 1.583 1.00 0.00 O ATOM 0 H ASP A 39 -12.441 -1.871 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.817 0.372 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.931 -2.419 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.765 -1.193 2.795 1.00 0.00 H new ATOM 638 N LEU A 40 -9.627 -0.221 2.033 1.00 0.00 N ATOM 639 CA LEU A 40 -8.315 -0.521 2.625 1.00 0.00 C ATOM 640 C LEU A 40 -8.170 0.175 3.975 1.00 0.00 C ATOM 641 O LEU A 40 -8.868 1.147 4.264 1.00 0.00 O ATOM 642 CB LEU A 40 -7.205 -0.033 1.690 1.00 0.00 C ATOM 643 CG LEU A 40 -7.315 -0.728 0.315 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.330 -0.074 -0.659 1.00 0.00 C ATOM 645 CD2 LEU A 40 -6.996 -2.241 0.433 1.00 0.00 C ATOM 0 H LEU A 40 -9.870 0.770 2.036 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.235 -1.599 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.275 1.048 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.231 -0.240 2.133 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.336 -0.618 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.403 -0.560 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.570 0.984 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.315 -0.180 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.080 -2.708 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.982 -2.371 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.701 -2.709 1.119 1.00 0.00 H new ATOM 657 N ASP A 41 -7.262 -0.338 4.804 1.00 0.00 N ATOM 658 CA ASP A 41 -7.024 0.228 6.133 1.00 0.00 C ATOM 659 C ASP A 41 -6.028 1.382 6.049 1.00 0.00 C ATOM 660 O ASP A 41 -5.189 1.429 5.149 1.00 0.00 O ATOM 661 CB ASP A 41 -6.474 -0.863 7.060 1.00 0.00 C ATOM 662 CG ASP A 41 -7.548 -1.913 7.334 1.00 0.00 C ATOM 663 OD1 ASP A 41 -8.705 -1.640 7.056 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.198 -2.978 7.817 1.00 0.00 O ATOM 0 H ASP A 41 -6.679 -1.144 4.580 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.965 0.608 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.603 -1.333 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.141 -0.419 7.998 1.00 0.00 H new ATOM 669 N ASP A 42 -6.132 2.312 6.991 1.00 0.00 N ATOM 670 CA ASP A 42 -5.243 3.468 7.017 1.00 0.00 C ATOM 671 C ASP A 42 -3.788 3.025 7.123 1.00 0.00 C ATOM 672 O ASP A 42 -2.911 3.583 6.464 1.00 0.00 O ATOM 673 CB ASP A 42 -5.594 4.364 8.207 1.00 0.00 C ATOM 674 CG ASP A 42 -4.719 5.616 8.208 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.821 5.697 7.385 1.00 0.00 O ATOM 676 OD2 ASP A 42 -4.960 6.479 9.037 1.00 0.00 O ATOM 0 H ASP A 42 -6.820 2.289 7.744 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.372 4.025 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.645 4.648 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.454 3.814 9.138 1.00 0.00 H new ATOM 681 N ASN A 43 -3.539 2.021 7.954 1.00 0.00 N ATOM 682 CA ASN A 43 -2.185 1.512 8.142 1.00 0.00 C ATOM 683 C ASN A 43 -1.648 0.924 6.839 1.00 0.00 C ATOM 684 O ASN A 43 -0.464 1.060 6.529 1.00 0.00 O ATOM 685 CB ASN A 43 -2.176 0.442 9.239 1.00 0.00 C ATOM 686 CG ASN A 43 -0.762 -0.099 9.433 1.00 0.00 C ATOM 687 OD1 ASN A 43 0.189 0.439 8.868 1.00 0.00 O ATOM 688 ND2 ASN A 43 -0.568 -1.136 10.200 1.00 0.00 N ATOM 0 H ASN A 43 -4.252 1.545 8.506 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.542 2.339 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.543 0.866 10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.851 -0.371 8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.374 -1.503 10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.359 -1.580 10.667 1.00 0.00 H new ATOM 695 N ALA A 44 -2.518 0.263 6.085 1.00 0.00 N ATOM 696 CA ALA A 44 -2.109 -0.349 4.825 1.00 0.00 C ATOM 697 C ALA A 44 -1.753 0.719 3.796 1.00 0.00 C ATOM 698 O ALA A 44 -0.814 0.552 3.021 1.00 0.00 O ATOM 699 CB ALA A 44 -3.242 -1.220 4.283 1.00 0.00 C ATOM 0 H ALA A 44 -3.502 0.137 6.320 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.228 -0.964 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.933 -1.675 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.477 -2.002 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.126 -0.604 4.115 1.00 0.00 H new ATOM 705 N VAL A 45 -2.506 1.819 3.791 1.00 0.00 N ATOM 706 CA VAL A 45 -2.250 2.916 2.853 1.00 0.00 C ATOM 707 C VAL A 45 -1.211 3.879 3.425 1.00 0.00 C ATOM 708 O VAL A 45 -0.599 4.656 2.693 1.00 0.00 O ATOM 709 CB VAL A 45 -3.547 3.680 2.574 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.297 4.762 1.514 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.615 2.702 2.072 1.00 0.00 C ATOM 0 H VAL A 45 -3.293 1.975 4.421 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.869 2.491 1.925 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.891 4.155 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.224 5.302 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.540 5.458 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.949 4.295 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.540 3.244 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.269 2.225 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.797 1.941 2.831 1.00 0.00 H new ATOM 721 N ALA A 46 -1.022 3.827 4.741 1.00 0.00 N ATOM 722 CA ALA A 46 -0.063 4.706 5.399 1.00 0.00 C ATOM 723 C ALA A 46 1.319 4.528 4.792 1.00 0.00 C ATOM 724 O ALA A 46 1.977 5.497 4.421 1.00 0.00 O ATOM 725 CB ALA A 46 -0.011 4.395 6.898 1.00 0.00 C ATOM 0 H ALA A 46 -1.516 3.191 5.367 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.382 5.738 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.708 5.056 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.997 4.549 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.294 3.359 7.044 1.00 0.00 H new ATOM 731 N VAL A 47 1.748 3.280 4.691 1.00 0.00 N ATOM 732 CA VAL A 47 3.052 2.977 4.122 1.00 0.00 C ATOM 733 C VAL A 47 3.122 3.424 2.664 1.00 0.00 C ATOM 734 O VAL A 47 4.155 3.914 2.214 1.00 0.00 O ATOM 735 CB VAL A 47 3.355 1.475 4.236 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.556 1.102 5.707 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.200 0.651 3.661 1.00 0.00 C ATOM 0 H VAL A 47 1.216 2.464 4.994 1.00 0.00 H new ATOM 0 HA VAL A 47 3.805 3.526 4.687 1.00 0.00 H new ATOM 0 HB VAL A 47 4.262 1.259 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.771 0.036 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.390 1.672 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.650 1.332 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.431 -0.411 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.286 0.871 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.059 0.905 2.610 1.00 0.00 H new ATOM 747 N LEU A 48 2.022 3.253 1.937 1.00 0.00 N ATOM 748 CA LEU A 48 1.977 3.649 0.530 1.00 0.00 C ATOM 749 C LEU A 48 2.025 5.170 0.405 1.00 0.00 C ATOM 750 O LEU A 48 2.559 5.708 -0.564 1.00 0.00 O ATOM 751 CB LEU A 48 0.706 3.118 -0.140 1.00 0.00 C ATOM 752 CG LEU A 48 0.548 1.609 0.118 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.730 1.102 -0.572 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.774 0.839 -0.424 1.00 0.00 C ATOM 0 H LEU A 48 1.157 2.847 2.293 1.00 0.00 H new ATOM 0 HA LEU A 48 2.845 3.221 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.164 3.651 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.748 3.307 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 48 0.476 1.439 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.842 0.033 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.594 1.631 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.660 1.282 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.647 -0.227 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.865 1.008 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.676 1.192 0.076 1.00 0.00 H new ATOM 766 N LYS A 49 1.449 5.862 1.384 1.00 0.00 N ATOM 767 CA LYS A 49 1.430 7.327 1.386 1.00 0.00 C ATOM 768 C LYS A 49 2.688 7.896 2.052 1.00 0.00 C ATOM 769 O LYS A 49 3.125 8.998 1.722 1.00 0.00 O ATOM 770 CB LYS A 49 0.188 7.827 2.124 1.00 0.00 C ATOM 771 CG LYS A 49 0.097 9.358 2.014 1.00 0.00 C ATOM 772 CD LYS A 49 -1.263 9.844 2.538 1.00 0.00 C ATOM 773 CE LYS A 49 -1.412 9.533 4.035 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.522 10.351 4.590 1.00 0.00 N ATOM 0 H LYS A 49 0.988 5.435 2.187 1.00 0.00 H new ATOM 0 HA LYS A 49 1.406 7.668 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.706 7.369 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.233 7.531 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.902 9.820 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.226 9.664 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.359 10.917 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.066 9.363 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.616 8.472 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.483 9.754 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.630 10.147 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.307 11.360 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.406 10.119 4.094 1.00 0.00 H new ATOM 788 N LEU A 50 3.254 7.147 3.002 1.00 0.00 N ATOM 789 CA LEU A 50 4.451 7.605 3.718 1.00 0.00 C ATOM 790 C LEU A 50 5.672 7.566 2.807 1.00 0.00 C ATOM 791 O LEU A 50 6.580 8.388 2.938 1.00 0.00 O ATOM 792 CB LEU A 50 4.694 6.700 4.939 1.00 0.00 C ATOM 793 CG LEU A 50 5.909 7.178 5.769 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.663 8.591 6.346 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.137 6.183 6.916 1.00 0.00 C ATOM 0 H LEU A 50 2.909 6.232 3.292 1.00 0.00 H new ATOM 0 HA LEU A 50 4.291 8.633 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.804 6.690 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.860 5.676 4.606 1.00 0.00 H new ATOM 0 HG LEU A 50 6.787 7.225 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.532 8.904 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.499 9.294 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.784 8.573 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.991 6.505 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.248 6.144 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.334 5.193 6.505 1.00 0.00 H new ATOM 807 N VAL A 51 5.694 6.610 1.885 1.00 0.00 N ATOM 808 CA VAL A 51 6.819 6.484 0.961 1.00 0.00 C ATOM 809 C VAL A 51 6.786 7.600 -0.084 1.00 0.00 C ATOM 810 O VAL A 51 5.762 7.844 -0.722 1.00 0.00 O ATOM 811 CB VAL A 51 6.799 5.106 0.277 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.472 4.895 -0.451 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.955 5.005 -0.726 1.00 0.00 C ATOM 0 H VAL A 51 4.956 5.918 1.756 1.00 0.00 H new ATOM 0 HA VAL A 51 7.744 6.576 1.531 1.00 0.00 H new ATOM 0 HB VAL A 51 6.912 4.336 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.472 3.916 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.652 4.949 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.345 5.669 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.935 4.027 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.850 5.783 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.903 5.133 -0.203 1.00 0.00 H new ATOM 823 N ASP A 52 7.920 8.272 -0.249 1.00 0.00 N ATOM 824 CA ASP A 52 8.030 9.354 -1.222 1.00 0.00 C ATOM 825 C ASP A 52 7.959 8.796 -2.647 1.00 0.00 C ATOM 826 O ASP A 52 7.286 9.357 -3.513 1.00 0.00 O ATOM 827 CB ASP A 52 9.353 10.101 -1.012 1.00 0.00 C ATOM 828 CG ASP A 52 9.319 10.874 0.309 1.00 0.00 C ATOM 829 OD1 ASP A 52 8.262 10.926 0.920 1.00 0.00 O ATOM 830 OD2 ASP A 52 10.350 11.403 0.690 1.00 0.00 O ATOM 0 H ASP A 52 8.774 8.088 0.277 1.00 0.00 H new ATOM 0 HA ASP A 52 7.200 10.047 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.182 9.393 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.526 10.789 -1.840 1.00 0.00 H new ATOM 835 N GLY A 53 8.664 7.681 -2.881 1.00 0.00 N ATOM 836 CA GLY A 53 8.692 7.032 -4.202 1.00 0.00 C ATOM 837 C GLY A 53 8.776 5.519 -4.051 1.00 0.00 C ATOM 838 O GLY A 53 7.767 4.863 -3.789 1.00 0.00 O ATOM 0 H GLY A 53 9.224 7.208 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.797 7.298 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.546 7.394 -4.774 1.00 0.00 H new ATOM 842 N ARG A 54 9.984 4.959 -4.214 1.00 0.00 N ATOM 843 CA ARG A 54 10.185 3.508 -4.077 1.00 0.00 C ATOM 844 C ARG A 54 11.086 3.208 -2.882 1.00 0.00 C ATOM 845 O ARG A 54 12.305 3.368 -2.961 1.00 0.00 O ATOM 846 CB ARG A 54 10.851 2.981 -5.347 1.00 0.00 C ATOM 847 CG ARG A 54 9.924 3.221 -6.537 1.00 0.00 C ATOM 848 CD ARG A 54 10.624 2.810 -7.834 1.00 0.00 C ATOM 849 NE ARG A 54 10.861 1.373 -7.838 1.00 0.00 N ATOM 850 CZ ARG A 54 11.533 0.788 -8.823 1.00 0.00 C ATOM 851 NH1 ARG A 54 11.730 -0.502 -8.798 1.00 0.00 N ATOM 852 NH2 ARG A 54 11.995 1.501 -9.813 1.00 0.00 N ATOM 0 H ARG A 54 10.830 5.483 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 54 9.220 3.025 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.805 3.483 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.064 1.917 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.004 2.650 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.642 4.273 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.011 3.088 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.570 3.343 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 54 10.504 0.805 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.368 -1.058 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.246 -0.954 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.840 2.509 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.511 1.050 -10.569 1.00 0.00 H new ATOM 866 N ASN A 55 10.481 2.735 -1.788 1.00 0.00 N ATOM 867 CA ASN A 55 11.220 2.360 -0.571 1.00 0.00 C ATOM 868 C ASN A 55 11.039 0.874 -0.287 1.00 0.00 C ATOM 869 O ASN A 55 10.015 0.286 -0.636 1.00 0.00 O ATOM 870 CB ASN A 55 10.747 3.198 0.631 1.00 0.00 C ATOM 871 CG ASN A 55 11.275 4.629 0.514 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.162 4.901 -0.296 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.784 5.563 1.282 1.00 0.00 N ATOM 0 H ASN A 55 9.472 2.601 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 55 12.279 2.561 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.658 3.206 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.098 2.747 1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.135 6.518 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.049 5.338 1.953 1.00 0.00 H new ATOM 880 N THR A 56 12.026 0.276 0.369 1.00 0.00 N ATOM 881 CA THR A 56 11.949 -1.138 0.721 1.00 0.00 C ATOM 882 C THR A 56 11.069 -1.300 1.953 1.00 0.00 C ATOM 883 O THR A 56 11.129 -0.486 2.875 1.00 0.00 O ATOM 884 CB THR A 56 13.349 -1.680 1.009 1.00 0.00 C ATOM 885 OG1 THR A 56 13.887 -1.020 2.148 1.00 0.00 O ATOM 886 CG2 THR A 56 14.248 -1.429 -0.201 1.00 0.00 C ATOM 0 H THR A 56 12.883 0.743 0.666 1.00 0.00 H new ATOM 0 HA THR A 56 11.519 -1.697 -0.111 1.00 0.00 H new ATOM 0 HB THR A 56 13.294 -2.751 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.784 -1.368 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.247 -1.815 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.834 -1.935 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.305 -0.358 -0.396 1.00 0.00 H new ATOM 894 N VAL A 57 10.247 -2.344 1.970 1.00 0.00 N ATOM 895 CA VAL A 57 9.359 -2.575 3.104 1.00 0.00 C ATOM 896 C VAL A 57 10.154 -2.607 4.406 1.00 0.00 C ATOM 897 O VAL A 57 9.696 -2.114 5.437 1.00 0.00 O ATOM 898 CB VAL A 57 8.602 -3.896 2.921 1.00 0.00 C ATOM 899 CG1 VAL A 57 7.794 -3.840 1.620 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.596 -5.063 2.855 1.00 0.00 C ATOM 0 H VAL A 57 10.177 -3.035 1.223 1.00 0.00 H new ATOM 0 HA VAL A 57 8.640 -1.757 3.153 1.00 0.00 H new ATOM 0 HB VAL A 57 7.930 -4.046 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.254 -4.778 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.083 -3.016 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.470 -3.687 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.051 -5.998 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.273 -4.917 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.171 -5.104 3.780 1.00 0.00 H new ATOM 910 N SER A 58 11.349 -3.185 4.349 1.00 0.00 N ATOM 911 CA SER A 58 12.198 -3.269 5.530 1.00 0.00 C ATOM 912 C SER A 58 12.484 -1.877 6.092 1.00 0.00 C ATOM 913 O SER A 58 12.431 -1.667 7.302 1.00 0.00 O ATOM 914 CB SER A 58 13.516 -3.957 5.175 1.00 0.00 C ATOM 915 OG SER A 58 13.244 -5.271 4.705 1.00 0.00 O ATOM 0 H SER A 58 11.748 -3.598 3.506 1.00 0.00 H new ATOM 0 HA SER A 58 11.674 -3.851 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.044 -3.386 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.166 -3.997 6.049 1.00 0.00 H new ATOM 0 HG SER A 58 14.086 -5.717 4.474 1.00 0.00 H new ATOM 921 N GLN A 59 12.793 -0.933 5.208 1.00 0.00 N ATOM 922 CA GLN A 59 13.096 0.434 5.632 1.00 0.00 C ATOM 923 C GLN A 59 11.868 1.099 6.250 1.00 0.00 C ATOM 924 O GLN A 59 11.954 1.724 7.307 1.00 0.00 O ATOM 925 CB GLN A 59 13.571 1.253 4.428 1.00 0.00 C ATOM 926 CG GLN A 59 14.026 2.642 4.887 1.00 0.00 C ATOM 927 CD GLN A 59 14.590 3.419 3.703 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.880 3.673 2.730 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.834 3.813 3.727 1.00 0.00 N ATOM 0 H GLN A 59 12.841 -1.085 4.201 1.00 0.00 H new ATOM 0 HA GLN A 59 13.883 0.394 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.392 0.739 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.765 1.347 3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.187 3.184 5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.783 2.548 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.420 3.601 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.220 4.333 2.939 1.00 0.00 H new ATOM 938 N ILE A 60 10.729 0.960 5.583 1.00 0.00 N ATOM 939 CA ILE A 60 9.491 1.555 6.070 1.00 0.00 C ATOM 940 C ILE A 60 9.127 0.978 7.432 1.00 0.00 C ATOM 941 O ILE A 60 8.707 1.704 8.333 1.00 0.00 O ATOM 942 CB ILE A 60 8.349 1.308 5.073 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.758 1.839 3.687 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.086 2.038 5.554 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.726 1.415 2.638 1.00 0.00 C ATOM 0 H ILE A 60 10.637 0.444 4.708 1.00 0.00 H new ATOM 0 HA ILE A 60 9.642 2.630 6.171 1.00 0.00 H new ATOM 0 HB ILE A 60 8.145 0.239 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.836 2.926 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.742 1.455 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.274 1.864 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.800 1.661 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.287 3.107 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.023 1.795 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.669 0.327 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.750 1.821 2.903 1.00 0.00 H new ATOM 957 N ALA A 61 9.281 -0.332 7.571 1.00 0.00 N ATOM 958 CA ALA A 61 8.954 -1.004 8.823 1.00 0.00 C ATOM 959 C ALA A 61 9.652 -0.328 10.003 1.00 0.00 C ATOM 960 O ALA A 61 9.074 -0.200 11.082 1.00 0.00 O ATOM 961 CB ALA A 61 9.371 -2.477 8.743 1.00 0.00 C ATOM 0 H ALA A 61 9.629 -0.949 6.837 1.00 0.00 H new ATOM 0 HA ALA A 61 7.877 -0.939 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.125 -2.976 9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.840 -2.962 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.445 -2.542 8.568 1.00 0.00 H new ATOM 967 N GLN A 62 10.889 0.103 9.791 1.00 0.00 N ATOM 968 CA GLN A 62 11.642 0.765 10.849 1.00 0.00 C ATOM 969 C GLN A 62 10.970 2.078 11.246 1.00 0.00 C ATOM 970 O GLN A 62 10.762 2.345 12.428 1.00 0.00 O ATOM 971 CB GLN A 62 13.070 1.057 10.372 1.00 0.00 C ATOM 972 CG GLN A 62 13.810 -0.255 10.084 1.00 0.00 C ATOM 973 CD GLN A 62 14.059 -1.024 11.377 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.376 -0.427 12.406 1.00 0.00 O ATOM 975 NE2 GLN A 62 13.943 -2.323 11.380 1.00 0.00 N ATOM 0 H GLN A 62 11.388 0.008 8.906 1.00 0.00 H new ATOM 0 HA GLN A 62 11.670 0.102 11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.042 1.672 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.606 1.626 11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.224 -0.866 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.759 -0.043 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.680 -2.814 10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.115 -2.848 12.237 1.00 0.00 H new ATOM 984 N ILE A 63 10.645 2.902 10.252 1.00 0.00 N ATOM 985 CA ILE A 63 10.013 4.191 10.520 1.00 0.00 C ATOM 986 C ILE A 63 8.634 4.002 11.148 1.00 0.00 C ATOM 987 O ILE A 63 8.325 4.599 12.178 1.00 0.00 O ATOM 988 CB ILE A 63 9.872 4.984 9.211 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.253 5.149 8.551 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.280 6.372 9.512 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.088 5.716 7.137 1.00 0.00 C ATOM 0 H ILE A 63 10.807 2.703 9.265 1.00 0.00 H new ATOM 0 HA ILE A 63 10.643 4.741 11.219 1.00 0.00 H new ATOM 0 HB ILE A 63 9.211 4.444 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.875 5.815 9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.764 4.187 8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.180 6.934 8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.299 6.257 9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.941 6.910 10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.068 5.831 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.483 5.034 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.596 6.687 7.190 1.00 0.00 H new ATOM 1003 N LEU A 64 7.808 3.174 10.516 1.00 0.00 N ATOM 1004 CA LEU A 64 6.459 2.920 11.017 1.00 0.00 C ATOM 1005 C LEU A 64 6.517 2.112 12.310 1.00 0.00 C ATOM 1006 O LEU A 64 5.701 2.299 13.212 1.00 0.00 O ATOM 1007 CB LEU A 64 5.637 2.172 9.959 1.00 0.00 C ATOM 1008 CG LEU A 64 4.149 2.102 10.377 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.509 3.520 10.407 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.392 1.215 9.379 1.00 0.00 C ATOM 0 H LEU A 64 8.045 2.670 9.662 1.00 0.00 H new ATOM 0 HA LEU A 64 5.977 3.875 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.727 2.676 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.032 1.164 9.829 1.00 0.00 H new ATOM 0 HG LEU A 64 4.085 1.680 11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.463 3.441 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.043 4.145 11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.572 3.969 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.342 1.159 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.473 1.641 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.823 0.214 9.383 1.00 0.00 H new ATOM 1022 N GLY A 65 7.481 1.204 12.387 1.00 0.00 N ATOM 1023 CA GLY A 65 7.633 0.361 13.568 1.00 0.00 C ATOM 1024 C GLY A 65 7.738 1.208 14.832 1.00 0.00 C ATOM 1025 O GLY A 65 7.169 0.868 15.868 1.00 0.00 O ATOM 0 H GLY A 65 8.166 1.032 11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.782 -0.316 13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.524 -0.258 13.465 1.00 0.00 H new ATOM 1029 N GLN A 66 8.463 2.316 14.737 1.00 0.00 N ATOM 1030 CA GLN A 66 8.628 3.210 15.878 1.00 0.00 C ATOM 1031 C GLN A 66 7.294 3.856 16.254 1.00 0.00 C ATOM 1032 O GLN A 66 7.045 4.142 17.425 1.00 0.00 O ATOM 1033 CB GLN A 66 9.657 4.302 15.543 1.00 0.00 C ATOM 1034 CG GLN A 66 11.057 3.691 15.463 1.00 0.00 C ATOM 1035 CD GLN A 66 12.062 4.762 15.048 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.565 5.503 15.891 1.00 0.00 O ATOM 1037 NE2 GLN A 66 12.386 4.887 13.789 1.00 0.00 N ATOM 0 H GLN A 66 8.943 2.616 13.889 1.00 0.00 H new ATOM 0 HA GLN A 66 8.984 2.625 16.726 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.402 4.775 14.595 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.634 5.082 16.304 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.337 3.271 16.429 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.066 2.872 14.744 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.968 4.272 13.091 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.057 5.600 13.503 1.00 0.00 H new ATOM 1046 N THR A 67 6.445 4.089 15.257 1.00 0.00 N ATOM 1047 CA THR A 67 5.150 4.712 15.510 1.00 0.00 C ATOM 1048 C THR A 67 4.297 3.831 16.421 1.00 0.00 C ATOM 1049 O THR A 67 3.724 4.311 17.401 1.00 0.00 O ATOM 1050 CB THR A 67 4.417 4.951 14.183 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.290 5.606 13.274 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.179 5.820 14.423 1.00 0.00 C ATOM 0 H THR A 67 6.626 3.860 14.280 1.00 0.00 H new ATOM 0 HA THR A 67 5.317 5.667 16.008 1.00 0.00 H new ATOM 0 HB THR A 67 4.106 3.994 13.765 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.824 5.758 12.425 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.663 5.987 13.478 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.509 5.315 15.118 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.483 6.778 14.844 1.00 0.00 H new ATOM 1060 N TYR A 68 4.228 2.538 16.102 1.00 0.00 N ATOM 1061 CA TYR A 68 3.452 1.586 16.906 1.00 0.00 C ATOM 1062 C TYR A 68 4.336 0.937 17.966 1.00 0.00 C ATOM 1063 O TYR A 68 3.859 0.154 18.786 1.00 0.00 O ATOM 1064 CB TYR A 68 2.859 0.498 15.995 1.00 0.00 C ATOM 1065 CG TYR A 68 1.782 1.099 15.114 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.123 1.694 13.895 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.439 1.063 15.522 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.127 2.250 13.085 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.556 1.618 14.710 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.211 2.212 13.491 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.191 2.761 12.689 1.00 0.00 O ATOM 0 H TYR A 68 4.697 2.125 15.296 1.00 0.00 H new ATOM 0 HA TYR A 68 2.646 2.126 17.402 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.644 0.059 15.378 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.441 -0.307 16.599 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.155 1.724 13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.174 0.606 16.464 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.392 2.710 12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.589 1.588 15.024 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.065 2.649 13.118 1.00 0.00 H new ATOM 1081 N ASP A 69 5.623 1.272 17.950 1.00 0.00 N ATOM 1082 CA ASP A 69 6.558 0.714 18.927 1.00 0.00 C ATOM 1083 C ASP A 69 6.461 -0.810 18.969 1.00 0.00 C ATOM 1084 O ASP A 69 6.132 -1.392 20.002 1.00 0.00 O ATOM 1085 CB ASP A 69 6.250 1.277 20.316 1.00 0.00 C ATOM 1086 CG ASP A 69 7.313 0.830 21.317 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.146 0.015 20.952 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.276 1.308 22.439 1.00 0.00 O ATOM 0 H ASP A 69 6.040 1.919 17.281 1.00 0.00 H new ATOM 0 HA ASP A 69 7.569 0.992 18.628 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.214 2.366 20.275 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.267 0.938 20.643 1.00 0.00 H new ATOM 1093 N ALA A 70 6.746 -1.451 17.836 1.00 0.00 N ATOM 1094 CA ALA A 70 6.686 -2.915 17.742 1.00 0.00 C ATOM 1095 C ALA A 70 7.782 -3.429 16.815 1.00 0.00 C ATOM 1096 O ALA A 70 8.378 -2.660 16.065 1.00 0.00 O ATOM 1097 CB ALA A 70 5.313 -3.341 17.215 1.00 0.00 C ATOM 0 H ALA A 70 7.020 -0.984 16.971 1.00 0.00 H new ATOM 0 HA ALA A 70 6.839 -3.341 18.733 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.271 -4.428 17.146 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.537 -2.990 17.896 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.152 -2.908 16.228 1.00 0.00 H new ATOM 1103 N ASP A 71 8.049 -4.729 16.882 1.00 0.00 N ATOM 1104 CA ASP A 71 9.085 -5.336 16.051 1.00 0.00 C ATOM 1105 C ASP A 71 8.817 -5.040 14.558 1.00 0.00 C ATOM 1106 O ASP A 71 7.835 -5.539 14.014 1.00 0.00 O ATOM 1107 CB ASP A 71 9.089 -6.852 16.276 1.00 0.00 C ATOM 1108 CG ASP A 71 9.485 -7.165 17.718 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.341 -6.469 18.237 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.929 -8.096 18.279 1.00 0.00 O ATOM 0 H ASP A 71 7.565 -5.381 17.500 1.00 0.00 H new ATOM 0 HA ASP A 71 10.053 -4.916 16.326 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.102 -7.262 16.064 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.786 -7.328 15.587 1.00 0.00 H new ATOM 1115 N PRO A 72 9.644 -4.255 13.876 1.00 0.00 N ATOM 1116 CA PRO A 72 9.423 -3.939 12.424 1.00 0.00 C ATOM 1117 C PRO A 72 9.136 -5.185 11.578 1.00 0.00 C ATOM 1118 O PRO A 72 8.365 -5.126 10.621 1.00 0.00 O ATOM 1119 CB PRO A 72 10.748 -3.270 11.992 1.00 0.00 C ATOM 1120 CG PRO A 72 11.277 -2.642 13.244 1.00 0.00 C ATOM 1121 CD PRO A 72 10.856 -3.576 14.389 1.00 0.00 C ATOM 0 HA PRO A 72 8.547 -3.306 12.279 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.448 -4.001 11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.581 -2.525 11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.361 -2.539 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.867 -1.642 13.384 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.642 -4.292 14.629 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.644 -3.018 15.301 1.00 0.00 H new ATOM 1129 N ALA A 73 9.766 -6.302 11.929 1.00 0.00 N ATOM 1130 CA ALA A 73 9.577 -7.546 11.183 1.00 0.00 C ATOM 1131 C ALA A 73 8.090 -7.868 11.017 1.00 0.00 C ATOM 1132 O ALA A 73 7.665 -8.383 9.982 1.00 0.00 O ATOM 1133 CB ALA A 73 10.268 -8.695 11.916 1.00 0.00 C ATOM 0 H ALA A 73 10.407 -6.374 12.719 1.00 0.00 H new ATOM 0 HA ALA A 73 10.015 -7.420 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.126 -9.620 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.334 -8.483 12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.838 -8.802 12.912 1.00 0.00 H new ATOM 1139 N ILE A 74 7.306 -7.563 12.043 1.00 0.00 N ATOM 1140 CA ILE A 74 5.867 -7.815 12.008 1.00 0.00 C ATOM 1141 C ILE A 74 5.168 -6.846 11.049 1.00 0.00 C ATOM 1142 O ILE A 74 4.247 -7.229 10.326 1.00 0.00 O ATOM 1143 CB ILE A 74 5.268 -7.685 13.418 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.012 -8.634 14.377 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.779 -8.062 13.376 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.571 -8.363 15.819 1.00 0.00 C ATOM 0 H ILE A 74 7.640 -7.141 12.910 1.00 0.00 H new ATOM 0 HA ILE A 74 5.708 -8.831 11.648 1.00 0.00 H new ATOM 0 HB ILE A 74 5.373 -6.658 13.768 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.804 -9.671 14.112 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.088 -8.491 14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.352 -7.971 14.375 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.253 -7.393 12.694 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.674 -9.090 13.029 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.100 -9.036 16.494 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.802 -7.331 16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.497 -8.529 15.908 1.00 0.00 H new ATOM 1158 N ILE A 75 5.598 -5.584 11.069 1.00 0.00 N ATOM 1159 CA ILE A 75 4.987 -4.558 10.219 1.00 0.00 C ATOM 1160 C ILE A 75 5.136 -4.922 8.738 1.00 0.00 C ATOM 1161 O ILE A 75 4.169 -4.849 7.981 1.00 0.00 O ATOM 1162 CB ILE A 75 5.665 -3.187 10.502 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.131 -2.592 11.819 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.390 -2.180 9.363 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.380 -3.553 12.983 1.00 0.00 C ATOM 0 H ILE A 75 6.360 -5.248 11.658 1.00 0.00 H new ATOM 0 HA ILE A 75 3.923 -4.495 10.448 1.00 0.00 H new ATOM 0 HB ILE A 75 6.738 -3.362 10.574 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.619 -1.638 12.017 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.063 -2.392 11.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.877 -1.232 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.783 -2.574 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.316 -2.022 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.996 -3.115 13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.871 -4.497 12.790 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.450 -3.732 13.085 1.00 0.00 H new ATOM 1177 N GLU A 76 6.342 -5.299 8.329 1.00 0.00 N ATOM 1178 CA GLU A 76 6.571 -5.644 6.932 1.00 0.00 C ATOM 1179 C GLU A 76 5.714 -6.843 6.534 1.00 0.00 C ATOM 1180 O GLU A 76 5.053 -6.826 5.496 1.00 0.00 O ATOM 1181 CB GLU A 76 8.065 -5.939 6.680 1.00 0.00 C ATOM 1182 CG GLU A 76 8.596 -6.936 7.712 1.00 0.00 C ATOM 1183 CD GLU A 76 10.091 -7.151 7.510 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.784 -6.178 7.273 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.521 -8.291 7.595 1.00 0.00 O ATOM 0 H GLU A 76 7.162 -5.373 8.932 1.00 0.00 H new ATOM 0 HA GLU A 76 6.284 -4.792 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.198 -6.341 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.638 -5.013 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.407 -6.565 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.068 -7.885 7.618 1.00 0.00 H new ATOM 1192 N ALA A 77 5.724 -7.873 7.371 1.00 0.00 N ATOM 1193 CA ALA A 77 4.948 -9.078 7.116 1.00 0.00 C ATOM 1194 C ALA A 77 3.450 -8.795 7.145 1.00 0.00 C ATOM 1195 O ALA A 77 2.659 -9.573 6.618 1.00 0.00 O ATOM 1196 CB ALA A 77 5.291 -10.146 8.153 1.00 0.00 C ATOM 0 H ALA A 77 6.264 -7.897 8.236 1.00 0.00 H new ATOM 0 HA ALA A 77 5.205 -9.437 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.707 -11.045 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.353 -10.383 8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.058 -9.773 9.150 1.00 0.00 H new ATOM 1202 N ASP A 78 3.062 -7.690 7.784 1.00 0.00 N ATOM 1203 CA ASP A 78 1.645 -7.321 7.883 1.00 0.00 C ATOM 1204 C ASP A 78 1.159 -6.668 6.586 1.00 0.00 C ATOM 1205 O ASP A 78 0.147 -7.078 6.016 1.00 0.00 O ATOM 1206 CB ASP A 78 1.443 -6.354 9.053 1.00 0.00 C ATOM 1207 CG ASP A 78 -0.045 -6.094 9.278 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.841 -6.532 8.462 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.368 -5.458 10.270 1.00 0.00 O ATOM 0 H ASP A 78 3.702 -7.038 8.238 1.00 0.00 H new ATOM 0 HA ASP A 78 1.065 -8.228 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.887 -6.770 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.956 -5.414 8.849 1.00 0.00 H new ATOM 1214 N ILE A 79 1.885 -5.645 6.131 1.00 0.00 N ATOM 1215 CA ILE A 79 1.525 -4.928 4.905 1.00 0.00 C ATOM 1216 C ILE A 79 1.799 -5.780 3.663 1.00 0.00 C ATOM 1217 O ILE A 79 1.000 -5.782 2.728 1.00 0.00 O ATOM 1218 CB ILE A 79 2.295 -3.598 4.831 1.00 0.00 C ATOM 1219 CG1 ILE A 79 3.809 -3.884 4.787 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.950 -2.747 6.064 1.00 0.00 C ATOM 1221 CD1 ILE A 79 4.615 -2.584 4.889 1.00 0.00 C ATOM 0 H ILE A 79 2.725 -5.294 6.592 1.00 0.00 H new ATOM 0 HA ILE A 79 0.456 -4.718 4.931 1.00 0.00 H new ATOM 0 HB ILE A 79 2.013 -3.054 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.081 -4.550 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.059 -4.400 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.493 -1.803 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.878 -2.549 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.234 -3.285 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.680 -2.813 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.358 -1.930 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.381 -2.083 5.828 1.00 0.00 H new ATOM 1233 N LEU A 80 2.930 -6.502 3.652 1.00 0.00 N ATOM 1234 CA LEU A 80 3.289 -7.351 2.504 1.00 0.00 C ATOM 1235 C LEU A 80 2.046 -8.103 1.956 1.00 0.00 C ATOM 1236 O LEU A 80 1.666 -7.891 0.803 1.00 0.00 O ATOM 1237 CB LEU A 80 4.438 -8.333 2.901 1.00 0.00 C ATOM 1238 CG LEU A 80 5.845 -7.726 2.625 1.00 0.00 C ATOM 1239 CD1 LEU A 80 6.908 -8.467 3.458 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.216 -7.875 1.142 1.00 0.00 C ATOM 0 H LEU A 80 3.606 -6.516 4.416 1.00 0.00 H new ATOM 0 HA LEU A 80 3.655 -6.716 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.352 -8.583 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.329 -9.263 2.344 1.00 0.00 H new ATOM 0 HG LEU A 80 5.815 -6.670 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.890 -8.037 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.675 -8.366 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.912 -9.523 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.202 -7.445 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.229 -8.932 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.480 -7.354 0.529 1.00 0.00 H new ATOM 1252 N PRO A 81 1.386 -8.930 2.750 1.00 0.00 N ATOM 1253 CA PRO A 81 0.155 -9.653 2.313 1.00 0.00 C ATOM 1254 C PRO A 81 -0.761 -8.777 1.453 1.00 0.00 C ATOM 1255 O PRO A 81 -1.311 -9.228 0.448 1.00 0.00 O ATOM 1256 CB PRO A 81 -0.547 -10.001 3.650 1.00 0.00 C ATOM 1257 CG PRO A 81 0.549 -10.085 4.680 1.00 0.00 C ATOM 1258 CD PRO A 81 1.758 -9.293 4.125 1.00 0.00 C ATOM 0 HA PRO A 81 0.391 -10.519 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.278 -9.238 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.086 -10.946 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.218 -9.666 5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.822 -11.123 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.956 -8.406 4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.665 -9.898 4.141 1.00 0.00 H new ATOM 1266 N MET A 82 -0.924 -7.526 1.868 1.00 0.00 N ATOM 1267 CA MET A 82 -1.779 -6.599 1.142 1.00 0.00 C ATOM 1268 C MET A 82 -1.199 -6.306 -0.238 1.00 0.00 C ATOM 1269 O MET A 82 -1.929 -6.238 -1.224 1.00 0.00 O ATOM 1270 CB MET A 82 -1.917 -5.282 1.929 1.00 0.00 C ATOM 1271 CG MET A 82 -3.047 -4.424 1.334 1.00 0.00 C ATOM 1272 SD MET A 82 -4.648 -5.164 1.753 1.00 0.00 S ATOM 1273 CE MET A 82 -4.924 -4.291 3.316 1.00 0.00 C ATOM 0 H MET A 82 -0.478 -7.134 2.697 1.00 0.00 H new ATOM 0 HA MET A 82 -2.761 -7.057 1.024 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.126 -5.496 2.977 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.977 -4.731 1.898 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.991 -3.408 1.723 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.937 -4.357 0.252 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.874 -4.608 3.747 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.116 -4.522 4.010 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.949 -3.217 3.133 1.00 0.00 H new ATOM 1283 N LEU A 83 0.116 -6.120 -0.299 1.00 0.00 N ATOM 1284 CA LEU A 83 0.764 -5.813 -1.571 1.00 0.00 C ATOM 1285 C LEU A 83 0.571 -6.958 -2.558 1.00 0.00 C ATOM 1286 O LEU A 83 0.304 -6.732 -3.739 1.00 0.00 O ATOM 1287 CB LEU A 83 2.261 -5.560 -1.363 1.00 0.00 C ATOM 1288 CG LEU A 83 2.480 -4.534 -0.238 1.00 0.00 C ATOM 1289 CD1 LEU A 83 3.988 -4.296 -0.057 1.00 0.00 C ATOM 1290 CD2 LEU A 83 1.779 -3.199 -0.577 1.00 0.00 C ATOM 0 H LEU A 83 0.745 -6.175 0.502 1.00 0.00 H new ATOM 0 HA LEU A 83 0.304 -4.912 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.763 -6.495 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.707 -5.195 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 83 2.053 -4.924 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.149 -3.569 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.476 -5.235 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.410 -3.915 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.945 -2.486 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.188 -2.799 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.709 -3.370 -0.696 1.00 0.00 H new ATOM 1302 N ALA A 84 0.702 -8.184 -2.068 1.00 0.00 N ATOM 1303 CA ALA A 84 0.531 -9.352 -2.922 1.00 0.00 C ATOM 1304 C ALA A 84 -0.900 -9.415 -3.450 1.00 0.00 C ATOM 1305 O ALA A 84 -1.131 -9.760 -4.610 1.00 0.00 O ATOM 1306 CB ALA A 84 0.846 -10.624 -2.131 1.00 0.00 C ATOM 0 H ALA A 84 0.924 -8.394 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 84 1.216 -9.273 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.716 -11.494 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.876 -10.586 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.170 -10.699 -1.279 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.855 -9.078 -2.587 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.268 -9.096 -2.964 1.00 0.00 C ATOM 1314 C GLY A 85 -3.589 -8.007 -3.985 1.00 0.00 C ATOM 1315 O GLY A 85 -4.355 -8.229 -4.921 1.00 0.00 O ATOM 0 H GLY A 85 -1.678 -8.790 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.523 -10.071 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.884 -8.957 -2.076 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.009 -6.827 -3.794 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.250 -5.709 -4.703 1.00 0.00 C ATOM 1321 C LEU A 86 -2.666 -6.003 -6.086 1.00 0.00 C ATOM 1322 O LEU A 86 -3.273 -5.681 -7.105 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.620 -4.430 -4.129 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.379 -3.962 -2.859 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.522 -2.927 -2.115 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.740 -3.318 -3.225 1.00 0.00 C ATOM 0 H LEU A 86 -2.373 -6.619 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.326 -5.568 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.573 -4.613 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.639 -3.641 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.565 -4.832 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.049 -2.593 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.572 -3.379 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.336 -2.073 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.249 -3.000 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.572 -2.454 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.358 -4.046 -3.750 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.486 -6.615 -6.117 1.00 0.00 N ATOM 1339 CA ALA A 87 -0.834 -6.939 -7.386 1.00 0.00 C ATOM 1340 C ALA A 87 -1.787 -7.718 -8.295 1.00 0.00 C ATOM 1341 O ALA A 87 -1.756 -7.568 -9.516 1.00 0.00 O ATOM 1342 CB ALA A 87 0.424 -7.775 -7.128 1.00 0.00 C ATOM 0 H ALA A 87 -0.964 -6.895 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.557 -6.007 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.904 -8.012 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.115 -7.209 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.149 -8.699 -6.619 1.00 0.00 H new ATOM 1348 N GLN A 88 -2.628 -8.545 -7.687 1.00 0.00 N ATOM 1349 CA GLN A 88 -3.587 -9.343 -8.442 1.00 0.00 C ATOM 1350 C GLN A 88 -4.575 -8.446 -9.184 1.00 0.00 C ATOM 1351 O GLN A 88 -5.192 -8.864 -10.165 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.358 -10.267 -7.499 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.383 -11.229 -6.821 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.142 -12.163 -5.886 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.155 -12.744 -6.277 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -3.711 -12.342 -4.668 1.00 0.00 N ATOM 0 H GLN A 88 -2.666 -8.681 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.034 -9.937 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.887 -9.680 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.110 -10.826 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.848 -11.809 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.635 -10.668 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.872 -11.859 -4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.213 -12.965 -4.036 1.00 0.00 H new ATOM 1365 N LYS A 89 -4.734 -7.211 -8.700 1.00 0.00 N ATOM 1366 CA LYS A 89 -5.666 -6.254 -9.310 1.00 0.00 C ATOM 1367 C LYS A 89 -4.944 -5.391 -10.340 1.00 0.00 C ATOM 1368 O LYS A 89 -5.561 -4.575 -11.024 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.261 -5.355 -8.226 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.083 -6.202 -7.256 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.657 -5.305 -6.158 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.472 -6.154 -5.182 1.00 0.00 C ATOM 1373 NZ LYS A 89 -9.015 -5.284 -4.103 1.00 0.00 N ATOM 0 H LYS A 89 -4.231 -6.849 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.461 -6.810 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.465 -4.838 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.890 -4.589 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.890 -6.705 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.459 -6.980 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.850 -4.797 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.287 -4.531 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.287 -6.651 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.846 -6.936 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.438 -5.876 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.246 -4.715 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.741 -4.653 -4.498 1.00 0.00 H new ATOM 1387 N ARG A 90 -3.634 -5.589 -10.447 1.00 0.00 N ATOM 1388 CA ARG A 90 -2.822 -4.841 -11.404 1.00 0.00 C ATOM 1389 C ARG A 90 -2.817 -3.350 -11.055 1.00 0.00 C ATOM 1390 O ARG A 90 -2.642 -2.495 -11.924 1.00 0.00 O ATOM 1391 CB ARG A 90 -3.372 -5.064 -12.831 1.00 0.00 C ATOM 1392 CG ARG A 90 -2.289 -4.775 -13.883 1.00 0.00 C ATOM 1393 CD ARG A 90 -2.902 -4.859 -15.281 1.00 0.00 C ATOM 1394 NE ARG A 90 -1.887 -4.575 -16.291 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.217 -4.314 -17.551 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -1.285 -4.064 -18.429 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -3.472 -4.306 -17.911 1.00 0.00 N ATOM 0 H ARG A 90 -3.111 -6.260 -9.884 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.794 -5.200 -11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.722 -6.091 -12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.232 -4.416 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.863 -3.785 -13.720 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.474 -5.492 -13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.321 -5.852 -15.444 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.724 -4.148 -15.370 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.903 -4.577 -16.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.305 -4.069 -18.148 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.537 -3.863 -19.397 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.201 -4.500 -17.224 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.724 -4.105 -18.879 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.010 -3.041 -9.771 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.023 -1.647 -9.306 1.00 0.00 C ATOM 1413 C VAL A 91 -1.684 -1.282 -8.677 1.00 0.00 C ATOM 1414 O VAL A 91 -1.497 -0.158 -8.217 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.147 -1.449 -8.284 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.485 -1.824 -8.929 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.896 -2.336 -7.057 1.00 0.00 C ATOM 0 H VAL A 91 -3.159 -3.732 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.196 -0.996 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.173 -0.406 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.289 -1.685 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.662 -1.187 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.457 -2.867 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.698 -2.191 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.868 -3.382 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.943 -2.066 -6.601 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.751 -2.243 -8.662 1.00 0.00 N ATOM 1428 CA LEU A 92 0.591 -2.033 -8.095 1.00 0.00 C ATOM 1429 C LEU A 92 1.629 -2.063 -9.202 1.00 0.00 C ATOM 1430 O LEU A 92 1.477 -2.767 -10.200 1.00 0.00 O ATOM 1431 CB LEU A 92 0.900 -3.123 -7.055 1.00 0.00 C ATOM 1432 CG LEU A 92 2.246 -2.854 -6.341 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.206 -1.516 -5.556 1.00 0.00 C ATOM 1434 CD2 LEU A 92 2.524 -4.014 -5.372 1.00 0.00 C ATOM 0 H LEU A 92 -0.901 -3.179 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 92 0.621 -1.060 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.097 -3.164 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.934 -4.096 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 92 3.037 -2.781 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.165 -1.354 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.008 -0.695 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.417 -1.558 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.470 -3.841 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.720 -4.076 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.579 -4.949 -5.930 1.00 0.00 H new ATOM 1446 N GLU A 93 2.685 -1.277 -9.017 1.00 0.00 N ATOM 1447 CA GLU A 93 3.765 -1.180 -9.995 1.00 0.00 C ATOM 1448 C GLU A 93 5.110 -1.229 -9.284 1.00 0.00 C ATOM 1449 O GLU A 93 5.217 -0.875 -8.109 1.00 0.00 O ATOM 1450 CB GLU A 93 3.625 0.135 -10.766 1.00 0.00 C ATOM 1451 CG GLU A 93 4.709 0.231 -11.837 1.00 0.00 C ATOM 1452 CD GLU A 93 4.486 1.465 -12.709 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.403 2.026 -12.648 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.401 1.827 -13.429 1.00 0.00 O ATOM 0 H GLU A 93 2.817 -0.693 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 93 3.707 -2.016 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.640 0.192 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.704 0.978 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.691 0.283 -11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.699 -0.666 -12.456 1.00 0.00 H new ATOM 1461 N ARG A 94 6.125 -1.683 -10.003 1.00 0.00 N ATOM 1462 CA ARG A 94 7.463 -1.797 -9.443 1.00 0.00 C ATOM 1463 C ARG A 94 8.460 -2.169 -10.536 1.00 0.00 C ATOM 1464 O ARG A 94 8.072 -2.147 -11.693 1.00 0.00 O ATOM 1465 CB ARG A 94 7.473 -2.866 -8.344 1.00 0.00 C ATOM 1466 CG ARG A 94 6.974 -4.199 -8.914 1.00 0.00 C ATOM 1467 CD ARG A 94 6.943 -5.253 -7.807 1.00 0.00 C ATOM 1468 NE ARG A 94 6.482 -6.534 -8.349 1.00 0.00 N ATOM 1469 CZ ARG A 94 7.317 -7.377 -8.955 1.00 0.00 C ATOM 1470 NH1 ARG A 94 6.876 -8.513 -9.421 1.00 0.00 N ATOM 1471 NH2 ARG A 94 8.577 -7.064 -9.086 1.00 0.00 N ATOM 1472 OXT ARG A 94 9.592 -2.471 -10.202 1.00 0.00 O ATOM 0 H ARG A 94 6.048 -1.979 -10.976 1.00 0.00 H new ATOM 0 HA ARG A 94 7.752 -0.837 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.481 -2.984 -7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.839 -2.554 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.978 -4.074 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.627 -4.527 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.937 -5.368 -7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.281 -4.929 -7.003 1.00 0.00 H new ATOM 0 HE ARG A 94 5.498 -6.786 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.891 -8.757 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.517 -9.157 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.922 -6.175 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.217 -7.709 -9.550 1.00 0.00 H new TER 1486 ARG A 94