USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 1 MET CE :methyl -156:sc= -0.248 (180deg=-1.3) USER MOD Set 1.2: A 1 MET N :NH3+ -136:sc= 0.838 (180deg=-0.0455) USER MOD Set 1.3: A 36 ASN :FLIP amide:sc= 0.289 F(o=-9.9!,f=0.88) USER MOD Single : A 6 THR OG1 : rot -12:sc= -0.341 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0237 (180deg=-0.411) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.253 USER MOD Single : A 48 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.8!) USER MOD Single : A 49 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -90:sc= -0.189 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc=-0.00756 (180deg=-0.329) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.000429 K(o=-0.00043,f=-1.2) USER MOD Single : A 64 SER OG : rot 73:sc= 0.213 USER MOD Single : A 68 GLN : amide:sc= -0.0406 K(o=-0.041,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.196 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.614 3.783 -0.885 1.00 0.00 N ATOM 2 CA MET A 1 -12.866 2.513 -0.659 1.00 0.00 C ATOM 3 C MET A 1 -11.873 2.697 0.479 1.00 0.00 C ATOM 4 O MET A 1 -11.259 3.757 0.606 1.00 0.00 O ATOM 5 CB MET A 1 -12.078 2.142 -1.918 1.00 0.00 C ATOM 6 CG MET A 1 -13.027 1.884 -3.086 1.00 0.00 C ATOM 7 SD MET A 1 -12.149 0.971 -4.384 1.00 0.00 S ATOM 8 CE MET A 1 -10.683 2.031 -4.499 1.00 0.00 C ATOM 0 H1 MET A 1 -14.624 3.573 -1.013 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.492 4.409 -0.063 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.248 4.255 -1.736 1.00 0.00 H new ATOM 0 HA MET A 1 -13.582 1.728 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.388 2.947 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.475 1.254 -1.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.892 1.314 -2.747 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.402 2.829 -3.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.229 1.919 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.973 3.071 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.964 1.741 -3.733 1.00 0.00 H new ATOM 20 N ARG A 2 -11.692 1.650 1.283 1.00 0.00 N ATOM 21 CA ARG A 2 -10.732 1.691 2.391 1.00 0.00 C ATOM 22 C ARG A 2 -9.709 0.581 2.191 1.00 0.00 C ATOM 23 O ARG A 2 -10.064 -0.563 1.909 1.00 0.00 O ATOM 24 CB ARG A 2 -11.452 1.523 3.728 1.00 0.00 C ATOM 25 CG ARG A 2 -12.277 2.777 4.018 1.00 0.00 C ATOM 26 CD ARG A 2 -12.999 2.614 5.354 1.00 0.00 C ATOM 27 NE ARG A 2 -13.797 3.800 5.645 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.804 3.752 6.508 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.956 2.705 7.270 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.640 4.750 6.593 1.00 0.00 N ATOM 0 H ARG A 2 -12.193 0.766 1.191 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.226 2.657 2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.099 0.647 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.728 1.357 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.629 3.653 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.000 2.942 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.641 1.734 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.273 2.451 6.150 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.578 4.680 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.302 1.925 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.729 2.666 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.520 5.568 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.414 4.712 7.257 1.00 0.00 H new ATOM 44 N ILE A 3 -8.438 0.940 2.298 1.00 0.00 N ATOM 45 CA ILE A 3 -7.345 -0.010 2.085 1.00 0.00 C ATOM 46 C ILE A 3 -6.491 -0.134 3.341 1.00 0.00 C ATOM 47 O ILE A 3 -5.986 0.864 3.851 1.00 0.00 O ATOM 48 CB ILE A 3 -6.481 0.514 0.934 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.342 0.609 -0.344 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.297 -0.430 0.697 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.719 1.610 -1.317 1.00 0.00 C ATOM 0 H ILE A 3 -8.133 1.885 2.532 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.753 -0.993 1.849 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.096 1.502 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.418 -0.371 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.355 0.919 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.687 -0.050 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.692 -0.489 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.668 -1.423 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.331 1.672 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.666 2.591 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.715 1.281 -1.584 1.00 0.00 H new ATOM 63 N GLU A 4 -6.331 -1.358 3.838 1.00 0.00 N ATOM 64 CA GLU A 4 -5.528 -1.592 5.043 1.00 0.00 C ATOM 65 C GLU A 4 -4.420 -2.603 4.767 1.00 0.00 C ATOM 66 O GLU A 4 -4.668 -3.691 4.245 1.00 0.00 O ATOM 67 CB GLU A 4 -6.426 -2.092 6.182 1.00 0.00 C ATOM 68 CG GLU A 4 -5.596 -2.315 7.452 1.00 0.00 C ATOM 69 CD GLU A 4 -6.498 -2.798 8.583 1.00 0.00 C ATOM 70 OE1 GLU A 4 -7.702 -2.804 8.390 1.00 0.00 O ATOM 71 OE2 GLU A 4 -5.973 -3.153 9.624 1.00 0.00 O ATOM 0 H GLU A 4 -6.741 -2.199 3.432 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.066 -0.650 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.216 -1.366 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.913 -3.022 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.813 -3.049 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.101 -1.388 7.741 1.00 0.00 H new ATOM 78 N VAL A 5 -3.196 -2.223 5.118 1.00 0.00 N ATOM 79 CA VAL A 5 -2.032 -3.087 4.901 1.00 0.00 C ATOM 80 C VAL A 5 -1.356 -3.418 6.223 1.00 0.00 C ATOM 81 O VAL A 5 -1.121 -2.543 7.046 1.00 0.00 O ATOM 82 CB VAL A 5 -1.030 -2.388 3.985 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.051 -3.385 3.551 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.759 -1.837 2.751 1.00 0.00 C ATOM 0 H VAL A 5 -2.980 -1.326 5.553 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.374 -4.012 4.436 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.561 -1.563 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.766 -2.885 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.569 -3.766 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.412 -4.214 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.043 -1.338 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.232 -2.657 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.520 -1.124 3.067 1.00 0.00 H new ATOM 94 N THR A 6 -1.037 -4.696 6.416 1.00 0.00 N ATOM 95 CA THR A 6 -0.367 -5.143 7.639 1.00 0.00 C ATOM 96 C THR A 6 0.945 -5.813 7.292 1.00 0.00 C ATOM 97 O THR A 6 1.028 -6.623 6.368 1.00 0.00 O ATOM 98 CB THR A 6 -1.271 -6.096 8.410 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.789 -7.068 7.519 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.421 -5.302 9.041 1.00 0.00 C ATOM 0 H THR A 6 -1.230 -5.439 5.745 1.00 0.00 H new ATOM 0 HA THR A 6 -0.159 -4.279 8.271 1.00 0.00 H new ATOM 0 HB THR A 6 -0.703 -6.593 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.613 -6.792 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.071 -5.980 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.016 -4.553 9.721 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.995 -4.808 8.257 1.00 0.00 H new ATOM 108 N ILE A 7 1.965 -5.464 8.052 1.00 0.00 N ATOM 109 CA ILE A 7 3.302 -6.008 7.870 1.00 0.00 C ATOM 110 C ILE A 7 3.692 -6.820 9.099 1.00 0.00 C ATOM 111 O ILE A 7 3.522 -6.366 10.229 1.00 0.00 O ATOM 112 CB ILE A 7 4.269 -4.845 7.677 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.096 -4.259 6.267 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.718 -5.321 7.861 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.703 -2.853 6.209 1.00 0.00 C ATOM 0 H ILE A 7 1.892 -4.793 8.817 1.00 0.00 H new ATOM 0 HA ILE A 7 3.333 -6.662 6.998 1.00 0.00 H new ATOM 0 HB ILE A 7 4.051 -4.079 8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.580 -4.904 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.038 -4.219 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.398 -4.481 7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.843 -5.725 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.942 -6.096 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.577 -2.443 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.199 -2.209 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.765 -2.905 6.449 1.00 0.00 H new ATOM 127 N ALA A 8 4.211 -8.021 8.880 1.00 0.00 N ATOM 128 CA ALA A 8 4.610 -8.869 9.990 1.00 0.00 C ATOM 129 C ALA A 8 5.764 -8.236 10.752 1.00 0.00 C ATOM 130 O ALA A 8 6.749 -7.770 10.181 1.00 0.00 O ATOM 131 CB ALA A 8 5.042 -10.233 9.459 1.00 0.00 C ATOM 0 H ALA A 8 4.363 -8.424 7.956 1.00 0.00 H new ATOM 0 HA ALA A 8 3.762 -8.986 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.341 -10.869 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.210 -10.697 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.883 -10.108 8.777 1.00 0.00 H new ATOM 137 N LYS A 9 5.584 -8.229 12.064 1.00 0.00 N ATOM 138 CA LYS A 9 6.551 -7.659 12.984 1.00 0.00 C ATOM 139 C LYS A 9 7.899 -8.363 12.861 1.00 0.00 C ATOM 140 O LYS A 9 8.938 -7.770 13.148 1.00 0.00 O ATOM 141 CB LYS A 9 6.010 -7.718 14.418 1.00 0.00 C ATOM 142 CG LYS A 9 7.014 -7.133 15.431 1.00 0.00 C ATOM 143 CD LYS A 9 7.132 -5.615 15.267 1.00 0.00 C ATOM 144 CE LYS A 9 7.923 -5.047 16.447 1.00 0.00 C ATOM 145 NZ LYS A 9 9.266 -5.690 16.497 1.00 0.00 N ATOM 0 H LYS A 9 4.760 -8.620 12.520 1.00 0.00 H new ATOM 0 HA LYS A 9 6.710 -6.612 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.072 -7.166 14.476 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.789 -8.752 14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.693 -7.370 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.991 -7.595 15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.632 -5.375 14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.141 -5.163 15.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.028 -3.967 16.343 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.387 -5.226 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.910 -5.105 17.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.183 -6.633 16.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.643 -5.781 15.532 1.00 0.00 H new ATOM 159 N THR A 10 7.889 -9.615 12.405 1.00 0.00 N ATOM 160 CA THR A 10 9.129 -10.357 12.221 1.00 0.00 C ATOM 161 C THR A 10 10.001 -9.644 11.195 1.00 0.00 C ATOM 162 O THR A 10 11.179 -9.963 11.047 1.00 0.00 O ATOM 163 CB THR A 10 8.819 -11.776 11.733 1.00 0.00 C ATOM 164 OG1 THR A 10 7.860 -11.717 10.688 1.00 0.00 O ATOM 165 CG2 THR A 10 8.270 -12.613 12.891 1.00 0.00 C ATOM 0 H THR A 10 7.044 -10.130 12.159 1.00 0.00 H new ATOM 0 HA THR A 10 9.658 -10.413 13.172 1.00 0.00 H new ATOM 0 HB THR A 10 9.733 -12.238 11.361 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.662 -12.624 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.051 -13.621 12.539 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.011 -12.660 13.689 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.357 -12.155 13.270 1.00 0.00 H new ATOM 173 N SER A 11 9.421 -8.673 10.482 1.00 0.00 N ATOM 174 CA SER A 11 10.164 -7.915 9.465 1.00 0.00 C ATOM 175 C SER A 11 10.086 -6.410 9.745 1.00 0.00 C ATOM 176 O SER A 11 9.297 -5.697 9.123 1.00 0.00 O ATOM 177 CB SER A 11 9.580 -8.200 8.082 1.00 0.00 C ATOM 178 OG SER A 11 10.396 -7.586 7.093 1.00 0.00 O ATOM 0 H SER A 11 8.446 -8.393 10.588 1.00 0.00 H new ATOM 0 HA SER A 11 11.208 -8.226 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.528 -9.275 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.561 -7.817 8.019 1.00 0.00 H new ATOM 0 HG SER A 11 10.025 -7.768 6.204 1.00 0.00 H new ATOM 184 N PRO A 12 10.889 -5.917 10.659 1.00 0.00 N ATOM 185 CA PRO A 12 10.922 -4.474 11.024 1.00 0.00 C ATOM 186 C PRO A 12 11.541 -3.571 9.949 1.00 0.00 C ATOM 187 O PRO A 12 12.606 -3.869 9.411 1.00 0.00 O ATOM 188 CB PRO A 12 11.693 -4.407 12.362 1.00 0.00 C ATOM 189 CG PRO A 12 12.064 -5.829 12.712 1.00 0.00 C ATOM 190 CD PRO A 12 11.865 -6.678 11.451 1.00 0.00 C ATOM 0 HA PRO A 12 9.908 -4.085 11.116 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.583 -3.786 12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.077 -3.963 13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.098 -5.883 13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.441 -6.199 13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.801 -6.812 10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.492 -7.673 11.695 1.00 0.00 H new ATOM 198 N LEU A 13 10.875 -2.443 9.676 1.00 0.00 N ATOM 199 CA LEU A 13 11.365 -1.464 8.705 1.00 0.00 C ATOM 200 C LEU A 13 11.917 -0.260 9.478 1.00 0.00 C ATOM 201 O LEU A 13 11.428 0.044 10.566 1.00 0.00 O ATOM 202 CB LEU A 13 10.221 -1.019 7.786 1.00 0.00 C ATOM 203 CG LEU A 13 9.413 -2.244 7.315 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.353 -1.813 6.292 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.346 -3.276 6.663 1.00 0.00 C ATOM 0 H LEU A 13 9.992 -2.187 10.117 1.00 0.00 H new ATOM 0 HA LEU A 13 12.148 -1.905 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.568 -0.325 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.623 -0.485 6.925 1.00 0.00 H new ATOM 0 HG LEU A 13 8.926 -2.690 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.787 -2.685 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.676 -1.093 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.842 -1.355 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.764 -4.137 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.844 -2.825 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.094 -3.599 7.387 1.00 0.00 H new ATOM 217 N PRO A 14 12.927 0.418 8.980 1.00 0.00 N ATOM 218 CA PRO A 14 13.518 1.574 9.710 1.00 0.00 C ATOM 219 C PRO A 14 12.444 2.544 10.227 1.00 0.00 C ATOM 220 O PRO A 14 11.364 2.676 9.652 1.00 0.00 O ATOM 221 CB PRO A 14 14.487 2.242 8.711 1.00 0.00 C ATOM 222 CG PRO A 14 14.397 1.451 7.423 1.00 0.00 C ATOM 223 CD PRO A 14 13.614 0.158 7.710 1.00 0.00 C ATOM 0 HA PRO A 14 14.043 1.251 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.214 3.284 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.506 2.237 9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.896 2.036 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.394 1.217 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.904 -0.061 6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.281 -0.701 7.788 1.00 0.00 H new ATOM 231 N ALA A 15 12.774 3.176 11.352 1.00 0.00 N ATOM 232 CA ALA A 15 11.887 4.117 12.042 1.00 0.00 C ATOM 233 C ALA A 15 11.426 5.285 11.163 1.00 0.00 C ATOM 234 O ALA A 15 11.528 6.442 11.573 1.00 0.00 O ATOM 235 CB ALA A 15 12.634 4.684 13.250 1.00 0.00 C ATOM 0 H ALA A 15 13.673 3.049 11.816 1.00 0.00 H new ATOM 0 HA ALA A 15 10.993 3.564 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.991 5.388 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.911 3.871 13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.534 5.198 12.913 1.00 0.00 H new ATOM 241 N GLY A 16 10.918 5.000 9.971 1.00 0.00 N ATOM 242 CA GLY A 16 10.453 6.067 9.085 1.00 0.00 C ATOM 243 C GLY A 16 9.870 5.504 7.795 1.00 0.00 C ATOM 244 O GLY A 16 9.187 6.204 7.047 1.00 0.00 O ATOM 0 H GLY A 16 10.817 4.056 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.698 6.664 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.282 6.734 8.850 1.00 0.00 H new ATOM 248 N ALA A 17 10.203 4.252 7.521 1.00 0.00 N ATOM 249 CA ALA A 17 9.776 3.602 6.290 1.00 0.00 C ATOM 250 C ALA A 17 8.271 3.330 6.203 1.00 0.00 C ATOM 251 O ALA A 17 7.677 3.497 5.138 1.00 0.00 O ATOM 252 CB ALA A 17 10.593 2.326 6.040 1.00 0.00 C ATOM 0 H ALA A 17 10.768 3.665 8.135 1.00 0.00 H new ATOM 0 HA ALA A 17 9.976 4.318 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.259 1.855 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.649 2.581 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.452 1.635 6.871 1.00 0.00 H new ATOM 258 N ILE A 18 7.649 2.912 7.297 1.00 0.00 N ATOM 259 CA ILE A 18 6.216 2.637 7.256 1.00 0.00 C ATOM 260 C ILE A 18 5.456 3.899 6.865 1.00 0.00 C ATOM 261 O ILE A 18 4.619 3.874 5.963 1.00 0.00 O ATOM 262 CB ILE A 18 5.738 2.119 8.609 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.313 0.714 8.805 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.203 2.061 8.625 1.00 0.00 C ATOM 265 CD1 ILE A 18 6.002 0.215 10.205 1.00 0.00 C ATOM 0 H ILE A 18 8.097 2.759 8.201 1.00 0.00 H new ATOM 0 HA ILE A 18 6.023 1.868 6.508 1.00 0.00 H new ATOM 0 HB ILE A 18 6.070 2.779 9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.891 0.033 8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.391 0.728 8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.863 1.691 9.592 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.799 3.059 8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.856 1.392 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.415 -0.785 10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.445 0.889 10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.922 0.183 10.348 1.00 0.00 H new ATOM 277 N ASP A 19 5.770 5.007 7.525 1.00 0.00 N ATOM 278 CA ASP A 19 5.113 6.265 7.192 1.00 0.00 C ATOM 279 C ASP A 19 5.399 6.597 5.738 1.00 0.00 C ATOM 280 O ASP A 19 4.525 7.096 5.029 1.00 0.00 O ATOM 281 CB ASP A 19 5.561 7.407 8.105 1.00 0.00 C ATOM 282 CG ASP A 19 4.756 8.664 7.788 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.759 8.546 7.093 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.150 9.727 8.241 1.00 0.00 O ATOM 0 H ASP A 19 6.458 5.062 8.276 1.00 0.00 H new ATOM 0 HA ASP A 19 4.040 6.147 7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.421 7.127 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.625 7.600 7.967 1.00 0.00 H new ATOM 289 N ALA A 20 6.618 6.319 5.285 1.00 0.00 N ATOM 290 CA ALA A 20 6.956 6.605 3.905 1.00 0.00 C ATOM 291 C ALA A 20 6.139 5.725 2.957 1.00 0.00 C ATOM 292 O ALA A 20 5.663 6.184 1.919 1.00 0.00 O ATOM 293 CB ALA A 20 8.460 6.416 3.665 1.00 0.00 C ATOM 0 H ALA A 20 7.367 5.907 5.841 1.00 0.00 H new ATOM 0 HA ALA A 20 6.709 7.647 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.693 6.636 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.019 7.092 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.738 5.386 3.889 1.00 0.00 H new ATOM 299 N LEU A 21 5.984 4.458 3.332 1.00 0.00 N ATOM 300 CA LEU A 21 5.232 3.503 2.544 1.00 0.00 C ATOM 301 C LEU A 21 3.777 3.928 2.402 1.00 0.00 C ATOM 302 O LEU A 21 3.226 3.945 1.301 1.00 0.00 O ATOM 303 CB LEU A 21 5.361 2.132 3.229 1.00 0.00 C ATOM 304 CG LEU A 21 4.451 1.094 2.579 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.864 0.852 1.125 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.560 -0.220 3.355 1.00 0.00 C ATOM 0 H LEU A 21 6.378 4.071 4.190 1.00 0.00 H new ATOM 0 HA LEU A 21 5.631 3.450 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.396 1.794 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.110 2.227 4.285 1.00 0.00 H new ATOM 0 HG LEU A 21 3.425 1.462 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.204 0.109 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.791 1.785 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.892 0.490 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.913 -0.968 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.592 -0.571 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.253 -0.059 4.389 1.00 0.00 H new ATOM 318 N ALA A 22 3.163 4.278 3.528 1.00 0.00 N ATOM 319 CA ALA A 22 1.775 4.706 3.524 1.00 0.00 C ATOM 320 C ALA A 22 1.631 5.933 2.634 1.00 0.00 C ATOM 321 O ALA A 22 0.647 6.059 1.905 1.00 0.00 O ATOM 322 CB ALA A 22 1.298 5.028 4.943 1.00 0.00 C ATOM 0 H ALA A 22 3.604 4.273 4.448 1.00 0.00 H new ATOM 0 HA ALA A 22 1.158 3.896 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.256 5.346 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.388 4.139 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.910 5.828 5.360 1.00 0.00 H new ATOM 328 N GLY A 23 2.609 6.819 2.665 1.00 0.00 N ATOM 329 CA GLY A 23 2.571 8.009 1.826 1.00 0.00 C ATOM 330 C GLY A 23 2.724 7.660 0.349 1.00 0.00 C ATOM 331 O GLY A 23 1.979 8.175 -0.484 1.00 0.00 O ATOM 0 H GLY A 23 3.436 6.741 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.628 8.534 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.368 8.690 2.124 1.00 0.00 H new ATOM 335 N GLU A 24 3.677 6.797 0.007 1.00 0.00 N ATOM 336 CA GLU A 24 3.857 6.439 -1.397 1.00 0.00 C ATOM 337 C GLU A 24 2.622 5.710 -1.917 1.00 0.00 C ATOM 338 O GLU A 24 2.199 5.927 -3.053 1.00 0.00 O ATOM 339 CB GLU A 24 5.128 5.586 -1.571 1.00 0.00 C ATOM 340 CG GLU A 24 5.374 5.292 -3.056 1.00 0.00 C ATOM 341 CD GLU A 24 5.784 6.568 -3.781 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.218 7.492 -3.115 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.657 6.602 -4.994 1.00 0.00 O ATOM 0 H GLU A 24 4.318 6.345 0.659 1.00 0.00 H new ATOM 0 HA GLU A 24 3.982 7.349 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.986 6.110 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.024 4.651 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.154 4.538 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.471 4.882 -3.508 1.00 0.00 H new ATOM 350 N LEU A 25 2.053 4.837 -1.095 1.00 0.00 N ATOM 351 CA LEU A 25 0.877 4.084 -1.518 1.00 0.00 C ATOM 352 C LEU A 25 -0.344 4.974 -1.753 1.00 0.00 C ATOM 353 O LEU A 25 -1.074 4.779 -2.722 1.00 0.00 O ATOM 354 CB LEU A 25 0.527 2.991 -0.502 1.00 0.00 C ATOM 355 CG LEU A 25 1.568 1.861 -0.547 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.310 0.910 0.625 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.475 1.078 -1.878 1.00 0.00 C ATOM 0 H LEU A 25 2.378 4.635 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 25 1.140 3.625 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.487 3.417 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.463 2.590 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 25 2.566 2.293 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.042 0.102 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.398 1.457 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.307 0.493 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.222 0.284 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.481 0.642 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.657 1.756 -2.712 1.00 0.00 H new ATOM 369 N SER A 26 -0.572 5.934 -0.871 1.00 0.00 N ATOM 370 CA SER A 26 -1.728 6.818 -1.014 1.00 0.00 C ATOM 371 C SER A 26 -1.667 7.624 -2.306 1.00 0.00 C ATOM 372 O SER A 26 -2.666 7.732 -3.018 1.00 0.00 O ATOM 373 CB SER A 26 -1.799 7.772 0.180 1.00 0.00 C ATOM 374 OG SER A 26 -3.008 8.518 0.117 1.00 0.00 O ATOM 0 H SER A 26 0.015 6.123 -0.059 1.00 0.00 H new ATOM 0 HA SER A 26 -2.621 6.194 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.754 7.209 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.942 8.446 0.173 1.00 0.00 H new ATOM 0 HG SER A 26 -3.056 9.129 0.882 1.00 0.00 H new ATOM 380 N ARG A 27 -0.506 8.185 -2.621 1.00 0.00 N ATOM 381 CA ARG A 27 -0.381 8.963 -3.846 1.00 0.00 C ATOM 382 C ARG A 27 -0.700 8.067 -5.040 1.00 0.00 C ATOM 383 O ARG A 27 -1.363 8.492 -5.988 1.00 0.00 O ATOM 384 CB ARG A 27 1.039 9.520 -3.986 1.00 0.00 C ATOM 385 CG ARG A 27 1.281 10.611 -2.941 1.00 0.00 C ATOM 386 CD ARG A 27 2.721 11.116 -3.060 1.00 0.00 C ATOM 387 NE ARG A 27 2.958 11.668 -4.390 1.00 0.00 N ATOM 388 CZ ARG A 27 4.022 12.425 -4.639 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.876 12.685 -3.686 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.215 12.908 -5.837 1.00 0.00 N ATOM 0 H ARG A 27 0.343 8.119 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.079 9.799 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.767 8.718 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.182 9.927 -4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.582 11.434 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.103 10.218 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.909 11.878 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.417 10.299 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 27 2.297 11.470 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.727 12.307 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.692 13.266 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.549 12.704 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.032 13.489 -6.027 1.00 0.00 H new ATOM 404 N ARG A 28 -0.232 6.823 -4.982 1.00 0.00 N ATOM 405 CA ARG A 28 -0.478 5.864 -6.056 1.00 0.00 C ATOM 406 C ARG A 28 -1.973 5.557 -6.192 1.00 0.00 C ATOM 407 O ARG A 28 -2.498 5.448 -7.300 1.00 0.00 O ATOM 408 CB ARG A 28 0.297 4.574 -5.767 1.00 0.00 C ATOM 409 CG ARG A 28 1.815 4.817 -5.889 1.00 0.00 C ATOM 410 CD ARG A 28 2.265 4.793 -7.360 1.00 0.00 C ATOM 411 NE ARG A 28 3.725 4.788 -7.432 1.00 0.00 N ATOM 412 CZ ARG A 28 4.365 4.389 -8.528 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.702 3.858 -9.519 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.661 4.528 -8.613 1.00 0.00 N ATOM 0 H ARG A 28 0.318 6.456 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.138 6.298 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.059 4.217 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.010 3.795 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.069 5.779 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.355 4.054 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.864 3.910 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.869 5.662 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 28 4.265 5.097 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.690 3.748 -9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.196 3.553 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.181 4.942 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.153 4.222 -9.453 1.00 0.00 H new ATOM 428 N ILE A 29 -2.647 5.418 -5.049 1.00 0.00 N ATOM 429 CA ILE A 29 -4.082 5.120 -5.037 1.00 0.00 C ATOM 430 C ILE A 29 -4.894 6.266 -5.634 1.00 0.00 C ATOM 431 O ILE A 29 -5.812 6.045 -6.425 1.00 0.00 O ATOM 432 CB ILE A 29 -4.552 4.826 -3.594 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.018 3.453 -3.115 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.086 4.834 -3.509 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.499 2.302 -4.020 1.00 0.00 C ATOM 0 H ILE A 29 -2.226 5.506 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.247 4.237 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.155 5.610 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.928 3.472 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.347 3.272 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.395 4.625 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.462 5.812 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.491 4.071 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.102 1.357 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.588 2.265 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.147 2.468 -5.038 1.00 0.00 H new ATOM 447 N GLN A 30 -4.552 7.481 -5.251 1.00 0.00 N ATOM 448 CA GLN A 30 -5.261 8.654 -5.759 1.00 0.00 C ATOM 449 C GLN A 30 -5.095 8.789 -7.263 1.00 0.00 C ATOM 450 O GLN A 30 -6.052 9.141 -7.951 1.00 0.00 O ATOM 451 CB GLN A 30 -4.784 9.943 -5.065 1.00 0.00 C ATOM 452 CG GLN A 30 -5.255 9.993 -3.601 1.00 0.00 C ATOM 453 CD GLN A 30 -4.764 11.279 -2.947 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.824 11.905 -3.435 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.340 11.704 -1.856 1.00 0.00 N ATOM 0 H GLN A 30 -3.797 7.687 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.318 8.510 -5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.696 9.998 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.165 10.811 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.343 9.944 -3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.875 9.129 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.119 11.182 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.011 12.558 -1.405 1.00 0.00 H new ATOM 464 N TYR A 31 -3.904 8.525 -7.801 1.00 0.00 N ATOM 465 CA TYR A 31 -3.713 8.650 -9.236 1.00 0.00 C ATOM 466 C TYR A 31 -4.546 7.599 -9.971 1.00 0.00 C ATOM 467 O TYR A 31 -5.127 7.882 -11.019 1.00 0.00 O ATOM 468 CB TYR A 31 -2.237 8.504 -9.608 1.00 0.00 C ATOM 469 CG TYR A 31 -2.083 8.641 -11.104 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.074 9.912 -11.690 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.959 7.499 -11.906 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.938 10.043 -13.077 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.822 7.631 -13.295 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.812 8.903 -13.879 1.00 0.00 C ATOM 475 OH TYR A 31 -1.680 9.034 -15.247 1.00 0.00 O ATOM 0 H TYR A 31 -3.080 8.231 -7.277 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.044 9.644 -9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.645 9.264 -9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.862 7.535 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.172 10.792 -11.072 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.969 6.518 -11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.930 11.024 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.724 6.752 -13.914 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.603 8.146 -15.655 1.00 0.00 H new ATOM 485 N ALA A 32 -4.596 6.388 -9.428 1.00 0.00 N ATOM 486 CA ALA A 32 -5.357 5.309 -10.057 1.00 0.00 C ATOM 487 C ALA A 32 -6.864 5.540 -9.953 1.00 0.00 C ATOM 488 O ALA A 32 -7.619 5.210 -10.866 1.00 0.00 O ATOM 489 CB ALA A 32 -5.004 3.979 -9.389 1.00 0.00 C ATOM 0 H ALA A 32 -4.124 6.128 -8.562 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.091 5.287 -11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.571 3.175 -9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.937 3.786 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.252 4.027 -8.329 1.00 0.00 H new ATOM 495 N PHE A 33 -7.293 6.096 -8.818 1.00 0.00 N ATOM 496 CA PHE A 33 -8.715 6.360 -8.571 1.00 0.00 C ATOM 497 C PHE A 33 -8.965 7.852 -8.329 1.00 0.00 C ATOM 498 O PHE A 33 -8.965 8.307 -7.186 1.00 0.00 O ATOM 499 CB PHE A 33 -9.161 5.566 -7.344 1.00 0.00 C ATOM 500 CG PHE A 33 -9.018 4.093 -7.638 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.079 3.388 -8.216 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.818 3.434 -7.345 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.943 2.023 -8.499 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.680 2.070 -7.630 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.743 1.365 -8.206 1.00 0.00 C ATOM 0 H PHE A 33 -6.677 6.373 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.285 6.056 -9.449 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.557 5.838 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.196 5.803 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.004 3.897 -8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.998 3.978 -6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.763 1.479 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.754 1.562 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.637 0.313 -8.425 1.00 0.00 H new ATOM 515 N PRO A 34 -9.174 8.618 -9.375 1.00 0.00 N ATOM 516 CA PRO A 34 -9.427 10.085 -9.258 1.00 0.00 C ATOM 517 C PRO A 34 -10.812 10.433 -8.695 1.00 0.00 C ATOM 518 O PRO A 34 -11.023 11.526 -8.168 1.00 0.00 O ATOM 519 CB PRO A 34 -9.278 10.620 -10.712 1.00 0.00 C ATOM 520 CG PRO A 34 -8.922 9.441 -11.583 1.00 0.00 C ATOM 521 CD PRO A 34 -9.193 8.171 -10.776 1.00 0.00 C ATOM 0 HA PRO A 34 -8.730 10.536 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.206 11.082 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.503 11.385 -10.764 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.515 9.447 -12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.875 9.488 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.154 7.730 -11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.433 7.412 -10.962 1.00 0.00 H new ATOM 529 N ASP A 35 -11.762 9.512 -8.869 1.00 0.00 N ATOM 530 CA ASP A 35 -13.150 9.738 -8.439 1.00 0.00 C ATOM 531 C ASP A 35 -13.510 9.104 -7.087 1.00 0.00 C ATOM 532 O ASP A 35 -14.641 9.282 -6.636 1.00 0.00 O ATOM 533 CB ASP A 35 -14.094 9.186 -9.510 1.00 0.00 C ATOM 534 CG ASP A 35 -13.849 7.694 -9.707 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.085 7.131 -8.942 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.429 7.136 -10.625 1.00 0.00 O ATOM 0 H ASP A 35 -11.600 8.603 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.258 10.815 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.130 9.356 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.939 9.715 -10.450 1.00 0.00 H new ATOM 541 N ASN A 36 -12.611 8.343 -6.450 1.00 0.00 N ATOM 542 CA ASN A 36 -12.966 7.687 -5.166 1.00 0.00 C ATOM 543 C ASN A 36 -11.968 7.984 -4.055 1.00 0.00 C ATOM 544 O ASN A 36 -10.767 7.797 -4.250 1.00 0.00 O ATOM 545 CB ASN A 36 -12.976 6.175 -5.386 1.00 0.00 C ATOM 546 CG ASN A 36 -13.396 5.470 -4.104 1.00 0.00 C ATOM 547 OD1 ASN A 36 -12.482 5.032 -3.283 1.00 0.00 O flip ATOM 548 ND2 ASN A 36 -14.590 5.322 -3.836 1.00 0.00 N flip ATOM 0 H ASN A 36 -11.663 8.164 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.938 8.073 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.662 5.920 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.986 5.836 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.303 5.665 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.865 4.856 -2.971 1.00 0.00 H new ATOM 555 N GLU A 37 -12.425 8.405 -2.882 1.00 0.00 N ATOM 556 CA GLU A 37 -11.512 8.662 -1.777 1.00 0.00 C ATOM 557 C GLU A 37 -10.815 7.376 -1.335 1.00 0.00 C ATOM 558 O GLU A 37 -11.470 6.404 -0.956 1.00 0.00 O ATOM 559 CB GLU A 37 -12.355 9.139 -0.585 1.00 0.00 C ATOM 560 CG GLU A 37 -12.921 10.534 -0.867 1.00 0.00 C ATOM 561 CD GLU A 37 -11.802 11.570 -0.851 1.00 0.00 C ATOM 562 OE1 GLU A 37 -10.763 11.283 -0.281 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.003 12.638 -1.406 1.00 0.00 O ATOM 0 H GLU A 37 -13.409 8.574 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.768 9.393 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.169 8.438 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.744 9.161 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.421 10.543 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.672 10.788 -0.119 1.00 0.00 H new ATOM 570 N GLY A 38 -9.489 7.392 -1.344 1.00 0.00 N ATOM 571 CA GLY A 38 -8.729 6.218 -0.891 1.00 0.00 C ATOM 572 C GLY A 38 -8.006 6.471 0.422 1.00 0.00 C ATOM 573 O GLY A 38 -7.230 7.424 0.500 1.00 0.00 O ATOM 0 H GLY A 38 -8.921 8.182 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.407 5.372 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.003 5.941 -1.655 1.00 0.00 H new ATOM 577 N HIS A 39 -8.211 5.637 1.448 1.00 0.00 N ATOM 578 CA HIS A 39 -7.507 5.831 2.725 1.00 0.00 C ATOM 579 C HIS A 39 -6.617 4.622 2.966 1.00 0.00 C ATOM 580 O HIS A 39 -7.098 3.489 2.940 1.00 0.00 O ATOM 581 CB HIS A 39 -8.517 5.962 3.867 1.00 0.00 C ATOM 582 CG HIS A 39 -9.242 7.274 3.748 1.00 0.00 C ATOM 583 ND1 HIS A 39 -10.408 7.412 3.014 1.00 0.00 N ATOM 584 CD2 HIS A 39 -8.980 8.515 4.273 1.00 0.00 C ATOM 585 CE1 HIS A 39 -10.802 8.694 3.118 1.00 0.00 C ATOM 586 NE2 HIS A 39 -9.967 9.410 3.875 1.00 0.00 N ATOM 0 H HIS A 39 -8.844 4.837 1.424 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.909 6.741 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.229 5.137 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.005 5.903 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.135 8.759 4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.687 9.096 2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.038 10.400 4.111 1.00 0.00 H new ATOM 594 N VAL A 40 -5.321 4.847 3.159 1.00 0.00 N ATOM 595 CA VAL A 40 -4.385 3.751 3.353 1.00 0.00 C ATOM 596 C VAL A 40 -3.814 3.763 4.765 1.00 0.00 C ATOM 597 O VAL A 40 -3.309 4.785 5.229 1.00 0.00 O ATOM 598 CB VAL A 40 -3.253 3.893 2.335 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.345 2.670 2.416 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.843 4.002 0.919 1.00 0.00 C ATOM 0 H VAL A 40 -4.899 5.775 3.185 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.907 2.805 3.211 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.676 4.791 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.537 2.768 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.926 2.594 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.923 1.773 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.035 4.103 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.420 3.105 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.493 4.875 0.862 1.00 0.00 H new ATOM 610 N SER A 41 -3.875 2.611 5.430 1.00 0.00 N ATOM 611 CA SER A 41 -3.331 2.481 6.788 1.00 0.00 C ATOM 612 C SER A 41 -2.315 1.352 6.826 1.00 0.00 C ATOM 613 O SER A 41 -2.519 0.299 6.220 1.00 0.00 O ATOM 614 CB SER A 41 -4.447 2.237 7.804 1.00 0.00 C ATOM 615 OG SER A 41 -3.874 1.893 9.059 1.00 0.00 O ATOM 0 H SER A 41 -4.292 1.758 5.058 1.00 0.00 H new ATOM 0 HA SER A 41 -2.836 3.414 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.064 3.130 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.101 1.436 7.458 1.00 0.00 H new ATOM 0 HG SER A 41 -4.587 1.738 9.713 1.00 0.00 H new ATOM 621 N VAL A 42 -1.220 1.574 7.556 1.00 0.00 N ATOM 622 CA VAL A 42 -0.172 0.558 7.682 1.00 0.00 C ATOM 623 C VAL A 42 0.173 0.360 9.154 1.00 0.00 C ATOM 624 O VAL A 42 0.472 1.320 9.863 1.00 0.00 O ATOM 625 CB VAL A 42 1.078 0.964 6.898 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.064 -0.205 6.872 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.696 1.348 5.465 1.00 0.00 C ATOM 0 H VAL A 42 -1.036 2.439 8.064 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.543 -0.379 7.267 1.00 0.00 H new ATOM 0 HB VAL A 42 1.543 1.822 7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.955 0.083 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.344 -0.468 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.597 -1.065 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.592 1.636 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.225 0.497 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.001 2.186 5.486 1.00 0.00 H new ATOM 637 N ARG A 43 0.136 -0.899 9.604 1.00 0.00 N ATOM 638 CA ARG A 43 0.450 -1.217 11.001 1.00 0.00 C ATOM 639 C ARG A 43 1.104 -2.594 11.111 1.00 0.00 C ATOM 640 O ARG A 43 0.949 -3.434 10.225 1.00 0.00 O ATOM 641 CB ARG A 43 -0.829 -1.193 11.849 1.00 0.00 C ATOM 642 CG ARG A 43 -1.595 0.107 11.594 1.00 0.00 C ATOM 643 CD ARG A 43 -2.742 0.247 12.601 1.00 0.00 C ATOM 644 NE ARG A 43 -2.218 0.504 13.940 1.00 0.00 N ATOM 645 CZ ARG A 43 -3.017 0.513 15.004 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.073 1.280 15.026 1.00 0.00 N ATOM 647 NH2 ARG A 43 -2.744 -0.247 16.030 1.00 0.00 N ATOM 0 H ARG A 43 -0.105 -1.706 9.029 1.00 0.00 H new ATOM 0 HA ARG A 43 1.147 -0.465 11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.456 -2.050 11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.577 -1.276 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.920 0.959 11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.990 0.113 10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.401 1.061 12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.342 -0.663 12.607 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.221 0.680 14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.288 1.875 14.226 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.683 1.284 15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.919 -0.847 16.015 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.356 -0.241 16.846 1.00 0.00 H new ATOM 661 N TYR A 44 1.796 -2.837 12.223 1.00 0.00 N ATOM 662 CA TYR A 44 2.417 -4.142 12.449 1.00 0.00 C ATOM 663 C TYR A 44 1.354 -5.107 12.968 1.00 0.00 C ATOM 664 O TYR A 44 0.509 -4.740 13.784 1.00 0.00 O ATOM 665 CB TYR A 44 3.550 -4.075 13.490 1.00 0.00 C ATOM 666 CG TYR A 44 4.821 -3.468 12.929 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.479 -4.079 11.850 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.376 -2.326 13.528 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.684 -3.547 11.375 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.575 -1.793 13.045 1.00 0.00 C ATOM 671 CZ TYR A 44 7.231 -2.405 11.971 1.00 0.00 C ATOM 672 OH TYR A 44 8.421 -1.885 11.504 1.00 0.00 O ATOM 0 H TYR A 44 1.940 -2.159 12.972 1.00 0.00 H new ATOM 0 HA TYR A 44 2.841 -4.476 11.502 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.218 -3.487 14.346 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.762 -5.080 13.856 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.056 -4.958 11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.876 -1.858 14.363 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.192 -4.019 10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.995 -0.909 13.501 1.00 0.00 H new ATOM 0 HH TYR A 44 8.659 -1.092 12.028 1.00 0.00 H new ATOM 682 N ALA A 45 1.409 -6.350 12.482 1.00 0.00 N ATOM 683 CA ALA A 45 0.461 -7.386 12.882 1.00 0.00 C ATOM 684 C ALA A 45 1.192 -8.721 12.993 1.00 0.00 C ATOM 685 O ALA A 45 2.326 -8.848 12.532 1.00 0.00 O ATOM 686 CB ALA A 45 -0.660 -7.498 11.847 1.00 0.00 C ATOM 0 H ALA A 45 2.106 -6.662 11.806 1.00 0.00 H new ATOM 0 HA ALA A 45 0.026 -7.124 13.847 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.362 -8.273 12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.182 -6.544 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.235 -7.756 10.877 1.00 0.00 H new ATOM 692 N ALA A 46 0.555 -9.715 13.603 1.00 0.00 N ATOM 693 CA ALA A 46 1.197 -11.016 13.749 1.00 0.00 C ATOM 694 C ALA A 46 1.530 -11.597 12.376 1.00 0.00 C ATOM 695 O ALA A 46 2.461 -12.392 12.252 1.00 0.00 O ATOM 696 CB ALA A 46 0.322 -11.979 14.551 1.00 0.00 C ATOM 0 H ALA A 46 -0.384 -9.649 13.996 1.00 0.00 H new ATOM 0 HA ALA A 46 2.126 -10.878 14.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.828 -12.940 14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.143 -11.567 15.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.630 -12.118 14.039 1.00 0.00 H new ATOM 702 N ALA A 47 0.757 -11.234 11.344 1.00 0.00 N ATOM 703 CA ALA A 47 0.998 -11.781 10.002 1.00 0.00 C ATOM 704 C ALA A 47 0.829 -10.733 8.904 1.00 0.00 C ATOM 705 O ALA A 47 0.018 -9.815 9.026 1.00 0.00 O ATOM 706 CB ALA A 47 0.043 -12.949 9.742 1.00 0.00 C ATOM 0 H ALA A 47 -0.023 -10.580 11.408 1.00 0.00 H new ATOM 0 HA ALA A 47 2.033 -12.122 9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.224 -13.352 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.211 -13.728 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.987 -12.599 9.810 1.00 0.00 H new ATOM 712 N ASN A 48 1.564 -10.914 7.806 1.00 0.00 N ATOM 713 CA ASN A 48 1.451 -10.017 6.660 1.00 0.00 C ATOM 714 C ASN A 48 0.091 -10.259 6.009 1.00 0.00 C ATOM 715 O ASN A 48 -0.254 -11.399 5.700 1.00 0.00 O ATOM 716 CB ASN A 48 2.567 -10.315 5.651 1.00 0.00 C ATOM 717 CG ASN A 48 2.694 -9.164 4.659 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.324 -8.032 4.970 1.00 0.00 O ATOM 719 ND2 ASN A 48 3.194 -9.387 3.475 1.00 0.00 N ATOM 0 H ASN A 48 2.239 -11.669 7.688 1.00 0.00 H new ATOM 0 HA ASN A 48 1.543 -8.979 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.512 -10.461 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.350 -11.242 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.279 -8.623 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.500 -10.326 3.219 1.00 0.00 H new ATOM 726 N ASN A 49 -0.681 -9.197 5.796 1.00 0.00 N ATOM 727 CA ASN A 49 -1.996 -9.327 5.174 1.00 0.00 C ATOM 728 C ASN A 49 -2.381 -8.033 4.453 1.00 0.00 C ATOM 729 O ASN A 49 -1.984 -6.942 4.858 1.00 0.00 O ATOM 730 CB ASN A 49 -3.050 -9.663 6.238 1.00 0.00 C ATOM 731 CG ASN A 49 -2.926 -11.126 6.652 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.579 -11.977 5.831 1.00 0.00 O ATOM 733 ND2 ASN A 49 -3.189 -11.472 7.882 1.00 0.00 N ATOM 0 H ASN A 49 -0.421 -8.242 6.043 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.953 -10.134 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.920 -9.018 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.049 -9.471 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.108 -12.448 8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.476 -10.766 8.560 1.00 0.00 H new ATOM 740 N LEU A 50 -3.181 -8.170 3.395 1.00 0.00 N ATOM 741 CA LEU A 50 -3.666 -7.026 2.613 1.00 0.00 C ATOM 742 C LEU A 50 -5.187 -7.134 2.549 1.00 0.00 C ATOM 743 O LEU A 50 -5.713 -8.152 2.100 1.00 0.00 O ATOM 744 CB LEU A 50 -3.067 -7.087 1.202 1.00 0.00 C ATOM 745 CG LEU A 50 -3.564 -5.903 0.350 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.153 -4.571 0.986 1.00 0.00 C ATOM 747 CD2 LEU A 50 -2.973 -6.005 -1.066 1.00 0.00 C ATOM 0 H LEU A 50 -3.512 -9.073 3.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.373 -6.080 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.979 -7.067 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.343 -8.027 0.724 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.652 -5.942 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.513 -3.747 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.587 -4.495 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.066 -4.522 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.325 -5.167 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.885 -5.979 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.290 -6.941 -1.526 1.00 0.00 H new ATOM 759 N SER A 51 -5.906 -6.095 2.990 1.00 0.00 N ATOM 760 CA SER A 51 -7.377 -6.116 2.959 1.00 0.00 C ATOM 761 C SER A 51 -7.921 -4.916 2.180 1.00 0.00 C ATOM 762 O SER A 51 -7.536 -3.776 2.445 1.00 0.00 O ATOM 763 CB SER A 51 -7.909 -6.050 4.391 1.00 0.00 C ATOM 764 OG SER A 51 -7.503 -7.214 5.098 1.00 0.00 O ATOM 0 H SER A 51 -5.502 -5.238 3.368 1.00 0.00 H new ATOM 0 HA SER A 51 -7.700 -7.034 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.532 -5.157 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.996 -5.976 4.384 1.00 0.00 H new ATOM 0 HG SER A 51 -7.841 -7.173 6.017 1.00 0.00 H new ATOM 770 N VAL A 52 -8.845 -5.169 1.245 1.00 0.00 N ATOM 771 CA VAL A 52 -9.470 -4.095 0.463 1.00 0.00 C ATOM 772 C VAL A 52 -10.988 -4.177 0.616 1.00 0.00 C ATOM 773 O VAL A 52 -11.582 -5.226 0.368 1.00 0.00 O ATOM 774 CB VAL A 52 -9.101 -4.217 -1.015 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.779 -3.092 -1.803 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.584 -4.105 -1.176 1.00 0.00 C ATOM 0 H VAL A 52 -9.176 -6.105 1.012 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.108 -3.136 0.834 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.436 -5.183 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.517 -3.177 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.860 -3.169 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.443 -2.127 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.323 -4.192 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.248 -3.140 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.099 -4.903 -0.615 1.00 0.00 H new ATOM 786 N ILE A 53 -11.617 -3.072 1.022 1.00 0.00 N ATOM 787 CA ILE A 53 -13.076 -3.038 1.201 1.00 0.00 C ATOM 788 C ILE A 53 -13.721 -1.976 0.310 1.00 0.00 C ATOM 789 O ILE A 53 -13.339 -0.807 0.354 1.00 0.00 O ATOM 790 CB ILE A 53 -13.404 -2.736 2.666 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.821 -3.838 3.571 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.922 -2.669 2.848 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.697 -3.315 5.003 1.00 0.00 C ATOM 0 H ILE A 53 -11.145 -2.192 1.233 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.475 -4.012 0.918 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.964 -1.778 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.464 -4.718 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.844 -4.148 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.154 -2.454 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.330 -1.881 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.365 -3.625 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.284 -4.096 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.037 -2.448 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.682 -3.027 5.372 1.00 0.00 H new ATOM 805 N GLY A 54 -14.724 -2.381 -0.480 1.00 0.00 N ATOM 806 CA GLY A 54 -15.432 -1.434 -1.351 1.00 0.00 C ATOM 807 C GLY A 54 -14.888 -1.430 -2.780 1.00 0.00 C ATOM 808 O GLY A 54 -15.139 -0.486 -3.527 1.00 0.00 O ATOM 0 H GLY A 54 -15.060 -3.343 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.492 -1.687 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.351 -0.431 -0.933 1.00 0.00 H new ATOM 812 N ALA A 55 -14.137 -2.468 -3.165 1.00 0.00 N ATOM 813 CA ALA A 55 -13.560 -2.527 -4.520 1.00 0.00 C ATOM 814 C ALA A 55 -13.991 -3.777 -5.277 1.00 0.00 C ATOM 815 O ALA A 55 -14.432 -4.770 -4.696 1.00 0.00 O ATOM 816 CB ALA A 55 -12.034 -2.487 -4.438 1.00 0.00 C ATOM 0 H ALA A 55 -13.915 -3.268 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.932 -1.661 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.614 -2.531 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.720 -1.562 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.678 -3.339 -3.859 1.00 0.00 H new ATOM 822 N THR A 56 -13.806 -3.704 -6.595 1.00 0.00 N ATOM 823 CA THR A 56 -14.097 -4.786 -7.531 1.00 0.00 C ATOM 824 C THR A 56 -12.861 -5.654 -7.710 1.00 0.00 C ATOM 825 O THR A 56 -11.739 -5.227 -7.437 1.00 0.00 O ATOM 826 CB THR A 56 -14.446 -4.185 -8.895 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.338 -3.434 -9.372 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.664 -3.271 -8.766 1.00 0.00 C ATOM 0 H THR A 56 -13.440 -2.868 -7.051 1.00 0.00 H new ATOM 0 HA THR A 56 -14.924 -5.380 -7.143 1.00 0.00 H new ATOM 0 HB THR A 56 -14.677 -4.988 -9.595 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.417 -2.505 -9.069 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.906 -2.847 -9.741 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.514 -3.847 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.442 -2.466 -8.065 1.00 0.00 H new ATOM 836 N LYS A 57 -13.085 -6.893 -8.142 1.00 0.00 N ATOM 837 CA LYS A 57 -11.999 -7.845 -8.326 1.00 0.00 C ATOM 838 C LYS A 57 -10.919 -7.301 -9.265 1.00 0.00 C ATOM 839 O LYS A 57 -9.732 -7.486 -9.001 1.00 0.00 O ATOM 840 CB LYS A 57 -12.556 -9.160 -8.903 1.00 0.00 C ATOM 841 CG LYS A 57 -13.600 -9.792 -7.961 1.00 0.00 C ATOM 842 CD LYS A 57 -14.116 -11.092 -8.585 1.00 0.00 C ATOM 843 CE LYS A 57 -15.105 -11.765 -7.631 1.00 0.00 C ATOM 844 NZ LYS A 57 -14.368 -12.281 -6.442 1.00 0.00 N ATOM 0 H LYS A 57 -14.009 -7.258 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.544 -8.021 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.010 -8.969 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.739 -9.862 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.154 -9.993 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.426 -9.100 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.601 -10.882 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.282 -11.763 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.869 -11.053 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.619 -12.582 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.953 -12.987 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.478 -12.722 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.159 -11.494 -5.795 1.00 0.00 H new ATOM 858 N GLU A 58 -11.303 -6.625 -10.343 1.00 0.00 N ATOM 859 CA GLU A 58 -10.311 -6.068 -11.261 1.00 0.00 C ATOM 860 C GLU A 58 -9.516 -4.956 -10.589 1.00 0.00 C ATOM 861 O GLU A 58 -8.309 -4.833 -10.798 1.00 0.00 O ATOM 862 CB GLU A 58 -10.997 -5.523 -12.520 1.00 0.00 C ATOM 863 CG GLU A 58 -9.942 -4.981 -13.494 1.00 0.00 C ATOM 864 CD GLU A 58 -10.614 -4.482 -14.769 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.831 -4.518 -14.828 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.899 -4.070 -15.669 1.00 0.00 O ATOM 0 H GLU A 58 -12.274 -6.451 -10.601 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.626 -6.867 -11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.577 -6.312 -13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.697 -4.732 -12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.386 -4.169 -13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.222 -5.763 -13.735 1.00 0.00 H new ATOM 873 N ASP A 59 -10.195 -4.153 -9.760 1.00 0.00 N ATOM 874 CA ASP A 59 -9.523 -3.074 -9.055 1.00 0.00 C ATOM 875 C ASP A 59 -8.497 -3.657 -8.094 1.00 0.00 C ATOM 876 O ASP A 59 -7.365 -3.185 -7.999 1.00 0.00 O ATOM 877 CB ASP A 59 -10.536 -2.219 -8.289 1.00 0.00 C ATOM 878 CG ASP A 59 -11.351 -1.374 -9.265 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.899 -1.191 -10.384 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.412 -0.916 -8.877 1.00 0.00 O ATOM 0 H ASP A 59 -11.194 -4.234 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.018 -2.437 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.200 -2.860 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.017 -1.573 -7.581 1.00 0.00 H new ATOM 885 N LYS A 60 -8.920 -4.695 -7.388 1.00 0.00 N ATOM 886 CA LYS A 60 -8.052 -5.366 -6.428 1.00 0.00 C ATOM 887 C LYS A 60 -6.825 -5.953 -7.118 1.00 0.00 C ATOM 888 O LYS A 60 -5.720 -5.858 -6.583 1.00 0.00 O ATOM 889 CB LYS A 60 -8.820 -6.479 -5.713 1.00 0.00 C ATOM 890 CG LYS A 60 -9.877 -5.878 -4.784 1.00 0.00 C ATOM 891 CD LYS A 60 -10.633 -7.012 -4.087 1.00 0.00 C ATOM 892 CE LYS A 60 -11.753 -6.429 -3.222 1.00 0.00 C ATOM 893 NZ LYS A 60 -12.283 -7.487 -2.317 1.00 0.00 N ATOM 0 H LYS A 60 -9.857 -5.091 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.720 -4.627 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.297 -7.130 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.129 -7.097 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.404 -5.231 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.570 -5.258 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.050 -7.694 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.948 -7.593 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.376 -5.590 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.552 -6.043 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.044 -7.091 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.657 -8.274 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.518 -7.835 -1.705 1.00 0.00 H new ATOM 907 N GLN A 61 -6.985 -6.532 -8.307 1.00 0.00 N ATOM 908 CA GLN A 61 -5.827 -7.072 -9.005 1.00 0.00 C ATOM 909 C GLN A 61 -4.899 -5.918 -9.356 1.00 0.00 C ATOM 910 O GLN A 61 -3.683 -6.028 -9.202 1.00 0.00 O ATOM 911 CB GLN A 61 -6.262 -7.815 -10.269 1.00 0.00 C ATOM 912 CG GLN A 61 -6.985 -9.105 -9.880 1.00 0.00 C ATOM 913 CD GLN A 61 -7.464 -9.831 -11.132 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.653 -9.207 -12.178 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.676 -11.118 -11.091 1.00 0.00 N ATOM 0 H GLN A 61 -7.876 -6.636 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.306 -7.785 -8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.919 -7.183 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.393 -8.045 -10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.316 -9.749 -9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.833 -8.876 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.519 -11.633 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.998 -11.609 -11.925 1.00 0.00 H new ATOM 924 N ARG A 62 -5.471 -4.805 -9.836 1.00 0.00 N ATOM 925 CA ARG A 62 -4.656 -3.656 -10.203 1.00 0.00 C ATOM 926 C ARG A 62 -3.884 -3.165 -8.987 1.00 0.00 C ATOM 927 O ARG A 62 -2.685 -2.900 -9.068 1.00 0.00 O ATOM 928 CB ARG A 62 -5.527 -2.538 -10.792 1.00 0.00 C ATOM 929 CG ARG A 62 -4.660 -1.325 -11.155 1.00 0.00 C ATOM 930 CD ARG A 62 -5.503 -0.304 -11.922 1.00 0.00 C ATOM 931 NE ARG A 62 -6.583 0.200 -11.083 1.00 0.00 N ATOM 932 CZ ARG A 62 -7.451 1.094 -11.546 1.00 0.00 C ATOM 933 NH1 ARG A 62 -7.021 2.156 -12.171 1.00 0.00 N ATOM 934 NH2 ARG A 62 -8.732 0.910 -11.378 1.00 0.00 N ATOM 0 H ARG A 62 -6.474 -4.683 -9.974 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.943 -3.957 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.047 -2.901 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.291 -2.245 -10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.254 -0.871 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.811 -1.640 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.873 0.523 -12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.916 -0.765 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.674 -0.139 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.020 2.299 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.686 2.843 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.068 0.079 -10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.397 1.597 -11.734 1.00 0.00 H new ATOM 948 N ILE A 63 -4.571 -3.050 -7.860 1.00 0.00 N ATOM 949 CA ILE A 63 -3.911 -2.594 -6.648 1.00 0.00 C ATOM 950 C ILE A 63 -2.773 -3.542 -6.266 1.00 0.00 C ATOM 951 O ILE A 63 -1.678 -3.090 -5.933 1.00 0.00 O ATOM 952 CB ILE A 63 -4.909 -2.411 -5.503 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.836 -1.223 -5.817 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.155 -2.132 -4.197 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.088 -1.295 -4.937 1.00 0.00 C ATOM 0 H ILE A 63 -5.564 -3.261 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.475 -1.615 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.500 -3.320 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.311 -0.284 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.119 -1.239 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.870 -2.002 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.497 -2.971 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.562 -1.224 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.741 -0.452 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.618 -2.227 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.797 -1.257 -3.887 1.00 0.00 H new ATOM 967 N SER A 64 -3.002 -4.849 -6.360 1.00 0.00 N ATOM 968 CA SER A 64 -1.927 -5.793 -6.060 1.00 0.00 C ATOM 969 C SER A 64 -0.776 -5.520 -7.026 1.00 0.00 C ATOM 970 O SER A 64 0.383 -5.537 -6.612 1.00 0.00 O ATOM 971 CB SER A 64 -2.417 -7.236 -6.221 1.00 0.00 C ATOM 972 OG SER A 64 -3.439 -7.493 -5.267 1.00 0.00 O ATOM 0 H SER A 64 -3.891 -5.270 -6.632 1.00 0.00 H new ATOM 0 HA SER A 64 -1.597 -5.665 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.798 -7.393 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.589 -7.931 -6.081 1.00 0.00 H new ATOM 0 HG SER A 64 -4.261 -7.033 -5.536 1.00 0.00 H new ATOM 978 N GLU A 65 -1.065 -5.259 -8.317 1.00 0.00 N ATOM 979 CA GLU A 65 0.006 -4.985 -9.276 1.00 0.00 C ATOM 980 C GLU A 65 0.749 -3.714 -8.871 1.00 0.00 C ATOM 981 O GLU A 65 1.977 -3.666 -8.919 1.00 0.00 O ATOM 982 CB GLU A 65 -0.544 -4.859 -10.698 1.00 0.00 C ATOM 983 CG GLU A 65 -1.008 -6.232 -11.189 1.00 0.00 C ATOM 984 CD GLU A 65 -1.563 -6.122 -12.605 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.560 -5.023 -13.137 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.984 -7.136 -13.136 1.00 0.00 O ATOM 0 H GLU A 65 -2.008 -5.234 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 65 0.703 -5.823 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.375 -4.154 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.224 -4.464 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.175 -6.934 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.773 -6.627 -10.520 1.00 0.00 H new ATOM 993 N ILE A 66 0.009 -2.688 -8.468 1.00 0.00 N ATOM 994 CA ILE A 66 0.636 -1.437 -8.056 1.00 0.00 C ATOM 995 C ILE A 66 1.566 -1.668 -6.870 1.00 0.00 C ATOM 996 O ILE A 66 2.695 -1.176 -6.846 1.00 0.00 O ATOM 997 CB ILE A 66 -0.435 -0.400 -7.701 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.172 0.003 -8.982 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.226 0.839 -7.084 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.358 0.908 -8.640 1.00 0.00 C ATOM 0 H ILE A 66 -1.010 -2.695 -8.418 1.00 0.00 H new ATOM 0 HA ILE A 66 1.229 -1.057 -8.888 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.135 -0.826 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.490 0.522 -9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.522 -0.887 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.540 1.573 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.764 0.553 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.925 1.273 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.877 1.190 -9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.045 0.374 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.998 1.805 -8.136 1.00 0.00 H new ATOM 1012 N LEU A 67 1.085 -2.419 -5.893 1.00 0.00 N ATOM 1013 CA LEU A 67 1.889 -2.700 -4.727 1.00 0.00 C ATOM 1014 C LEU A 67 3.146 -3.420 -5.177 1.00 0.00 C ATOM 1015 O LEU A 67 4.238 -3.138 -4.692 1.00 0.00 O ATOM 1016 CB LEU A 67 1.089 -3.569 -3.733 1.00 0.00 C ATOM 1017 CG LEU A 67 1.993 -4.175 -2.634 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.519 -3.081 -1.689 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.166 -5.186 -1.827 1.00 0.00 C ATOM 0 H LEU A 67 0.155 -2.837 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 67 2.160 -1.773 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.310 -2.964 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.589 -4.372 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 67 2.848 -4.661 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.152 -3.533 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.100 -2.356 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.678 -2.577 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.788 -5.624 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.315 -4.679 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.807 -5.974 -2.489 1.00 0.00 H new ATOM 1031 N GLN A 68 2.996 -4.326 -6.130 1.00 0.00 N ATOM 1032 CA GLN A 68 4.151 -5.035 -6.648 1.00 0.00 C ATOM 1033 C GLN A 68 5.134 -4.055 -7.302 1.00 0.00 C ATOM 1034 O GLN A 68 6.318 -4.057 -6.968 1.00 0.00 O ATOM 1035 CB GLN A 68 3.729 -6.107 -7.655 1.00 0.00 C ATOM 1036 CG GLN A 68 3.076 -7.278 -6.920 1.00 0.00 C ATOM 1037 CD GLN A 68 2.449 -8.239 -7.923 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.183 -7.859 -9.065 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.200 -9.469 -7.568 1.00 0.00 N ATOM 0 H GLN A 68 2.104 -4.583 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 68 4.647 -5.526 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.031 -5.685 -8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.597 -6.455 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.820 -7.801 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.314 -6.908 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.421 -9.782 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.784 -10.118 -8.236 1.00 0.00 H new ATOM 1048 N GLU A 69 4.664 -3.234 -8.248 1.00 0.00 N ATOM 1049 CA GLU A 69 5.557 -2.292 -8.937 1.00 0.00 C ATOM 1050 C GLU A 69 6.226 -1.293 -7.989 1.00 0.00 C ATOM 1051 O GLU A 69 7.428 -1.052 -8.097 1.00 0.00 O ATOM 1052 CB GLU A 69 4.778 -1.520 -10.006 1.00 0.00 C ATOM 1053 CG GLU A 69 4.408 -2.455 -11.159 1.00 0.00 C ATOM 1054 CD GLU A 69 3.584 -1.696 -12.194 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.492 -0.485 -12.075 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.058 -2.337 -13.089 1.00 0.00 O ATOM 0 H GLU A 69 3.690 -3.201 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 69 6.347 -2.891 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.876 -1.090 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.379 -0.690 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.311 -2.853 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.841 -3.306 -10.782 1.00 0.00 H new ATOM 1063 N THR A 70 5.466 -0.706 -7.069 1.00 0.00 N ATOM 1064 CA THR A 70 6.042 0.261 -6.137 1.00 0.00 C ATOM 1065 C THR A 70 7.134 -0.401 -5.327 1.00 0.00 C ATOM 1066 O THR A 70 8.231 0.129 -5.155 1.00 0.00 O ATOM 1067 CB THR A 70 4.962 0.803 -5.212 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.977 1.480 -5.980 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.581 1.767 -4.198 1.00 0.00 C ATOM 0 H THR A 70 4.468 -0.878 -6.948 1.00 0.00 H new ATOM 0 HA THR A 70 6.468 1.091 -6.701 1.00 0.00 H new ATOM 0 HB THR A 70 4.498 -0.025 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.385 0.824 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.802 2.151 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.330 1.241 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.052 2.597 -4.725 1.00 0.00 H new ATOM 1077 N TRP A 71 6.792 -1.573 -4.828 1.00 0.00 N ATOM 1078 CA TRP A 71 7.687 -2.365 -4.016 1.00 0.00 C ATOM 1079 C TRP A 71 8.952 -2.674 -4.805 1.00 0.00 C ATOM 1080 O TRP A 71 10.050 -2.639 -4.249 1.00 0.00 O ATOM 1081 CB TRP A 71 6.896 -3.610 -3.599 1.00 0.00 C ATOM 1082 CG TRP A 71 7.619 -4.480 -2.607 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.789 -5.815 -2.756 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.213 -4.141 -1.306 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.476 -6.310 -1.667 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.761 -5.324 -0.747 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.350 -2.944 -0.565 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.410 -5.323 0.488 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.002 -2.946 0.679 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.532 -4.132 1.203 1.00 0.00 C ATOM 0 H TRP A 71 5.879 -2.003 -4.977 1.00 0.00 H new ATOM 0 HA TRP A 71 8.025 -1.847 -3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.944 -3.298 -3.170 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.667 -4.199 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.442 -6.400 -3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.741 -7.289 -1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 71 7.950 -2.021 -0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.816 -6.240 0.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.095 -2.026 1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.034 -4.124 2.159 1.00 0.00 H new ATOM 1101 N GLU A 72 8.820 -2.973 -6.091 1.00 0.00 N ATOM 1102 CA GLU A 72 9.983 -3.281 -6.928 1.00 0.00 C ATOM 1103 C GLU A 72 10.783 -2.026 -7.279 1.00 0.00 C ATOM 1104 O GLU A 72 11.927 -2.146 -7.717 1.00 0.00 O ATOM 1105 CB GLU A 72 9.574 -4.004 -8.214 1.00 0.00 C ATOM 1106 CG GLU A 72 9.098 -5.420 -7.891 1.00 0.00 C ATOM 1107 CD GLU A 72 8.691 -6.134 -9.176 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.606 -5.472 -10.198 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.480 -7.335 -9.123 1.00 0.00 O ATOM 0 H GLU A 72 7.925 -3.010 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 72 10.619 -3.942 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.780 -3.450 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.418 -4.044 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.892 -5.975 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.254 -5.382 -7.202 1.00 0.00 H new ATOM 1116 N SER A 73 10.204 -0.821 -7.121 1.00 0.00 N ATOM 1117 CA SER A 73 10.933 0.410 -7.477 1.00 0.00 C ATOM 1118 C SER A 73 11.357 1.186 -6.233 1.00 0.00 C ATOM 1119 O SER A 73 11.528 2.404 -6.276 1.00 0.00 O ATOM 1120 CB SER A 73 10.060 1.286 -8.379 1.00 0.00 C ATOM 1121 OG SER A 73 10.010 0.712 -9.678 1.00 0.00 O ATOM 0 H SER A 73 9.261 -0.675 -6.760 1.00 0.00 H new ATOM 0 HA SER A 73 11.838 0.127 -8.014 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.055 1.367 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.467 2.296 -8.430 1.00 0.00 H new ATOM 0 HG SER A 73 9.451 1.268 -10.260 1.00 0.00 H new ATOM 1127 N ALA A 74 11.461 0.478 -5.112 1.00 0.00 N ATOM 1128 CA ALA A 74 11.789 1.078 -3.822 1.00 0.00 C ATOM 1129 C ALA A 74 13.056 1.934 -3.783 1.00 0.00 C ATOM 1130 O ALA A 74 13.102 2.936 -3.079 1.00 0.00 O ATOM 1131 CB ALA A 74 11.947 -0.045 -2.796 1.00 0.00 C ATOM 0 H ALA A 74 11.320 -0.531 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 74 10.966 1.759 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.193 0.382 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.014 -0.604 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.747 -0.715 -3.110 1.00 0.00 H new ATOM 1137 N ASP A 75 14.079 1.543 -4.519 1.00 0.00 N ATOM 1138 CA ASP A 75 15.333 2.295 -4.514 1.00 0.00 C ATOM 1139 C ASP A 75 15.176 3.698 -5.109 1.00 0.00 C ATOM 1140 O ASP A 75 16.012 4.567 -4.864 1.00 0.00 O ATOM 1141 CB ASP A 75 16.397 1.527 -5.299 1.00 0.00 C ATOM 1142 CG ASP A 75 16.809 0.274 -4.530 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.487 0.190 -3.355 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.449 -0.579 -5.123 1.00 0.00 O ATOM 0 H ASP A 75 14.074 0.721 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 75 15.637 2.411 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.009 1.251 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.266 2.163 -5.468 1.00 0.00 H new ATOM 1149 N ASP A 76 14.128 3.926 -5.897 1.00 0.00 N ATOM 1150 CA ASP A 76 13.921 5.244 -6.516 1.00 0.00 C ATOM 1151 C ASP A 76 13.067 6.182 -5.644 1.00 0.00 C ATOM 1152 O ASP A 76 13.385 7.366 -5.531 1.00 0.00 O ATOM 1153 CB ASP A 76 13.249 5.073 -7.885 1.00 0.00 C ATOM 1154 CG ASP A 76 14.240 4.500 -8.894 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.411 4.414 -8.563 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.813 4.161 -9.986 1.00 0.00 O ATOM 0 H ASP A 76 13.416 3.231 -6.123 1.00 0.00 H new ATOM 0 HA ASP A 76 14.903 5.703 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.388 4.411 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.876 6.035 -8.237 1.00 0.00 H new ATOM 1161 N TRP A 77 11.968 5.689 -5.074 1.00 0.00 N ATOM 1162 CA TRP A 77 11.085 6.563 -4.278 1.00 0.00 C ATOM 1163 C TRP A 77 11.382 6.564 -2.773 1.00 0.00 C ATOM 1164 O TRP A 77 11.000 7.507 -2.082 1.00 0.00 O ATOM 1165 CB TRP A 77 9.615 6.182 -4.495 1.00 0.00 C ATOM 1166 CG TRP A 77 9.271 4.932 -3.724 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.221 3.677 -4.247 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.930 4.788 -2.298 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.856 2.791 -3.257 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.669 3.417 -2.046 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.812 5.689 -1.201 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.309 2.958 -0.784 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.450 5.216 0.063 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.199 3.860 0.269 1.00 0.00 C ATOM 0 H TRP A 77 11.667 4.717 -5.141 1.00 0.00 H new ATOM 0 HA TRP A 77 11.285 7.572 -4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.971 7.001 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.428 6.024 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.433 3.417 -5.273 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.738 1.789 -3.404 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.003 6.742 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.116 1.908 -0.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.364 5.907 0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.918 3.508 1.251 1.00 0.00 H new ATOM 1185 N PHE A 78 12.067 5.550 -2.256 1.00 0.00 N ATOM 1186 CA PHE A 78 12.369 5.532 -0.817 1.00 0.00 C ATOM 1187 C PHE A 78 13.665 6.267 -0.530 1.00 0.00 C ATOM 1188 O PHE A 78 14.701 5.995 -1.136 1.00 0.00 O ATOM 1189 CB PHE A 78 12.460 4.091 -0.292 1.00 0.00 C ATOM 1190 CG PHE A 78 12.953 4.095 1.150 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.216 4.760 2.144 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.152 3.441 1.494 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.675 4.771 3.467 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.603 3.455 2.817 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.866 4.118 3.803 1.00 0.00 C ATOM 0 H PHE A 78 12.417 4.751 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 78 11.554 6.040 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.483 3.611 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.139 3.509 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.295 5.263 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.724 2.928 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.108 5.285 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.523 2.953 3.078 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.216 4.126 4.825 1.00 0.00 H new ATOM 1205 N VAL A 79 13.589 7.214 0.404 1.00 0.00 N ATOM 1206 CA VAL A 79 14.737 8.023 0.801 1.00 0.00 C ATOM 1207 C VAL A 79 14.971 7.841 2.300 1.00 0.00 C ATOM 1208 O VAL A 79 14.008 7.806 3.066 1.00 0.00 O ATOM 1209 CB VAL A 79 14.428 9.500 0.488 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.734 10.286 0.323 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.603 9.591 -0.809 1.00 0.00 C ATOM 0 H VAL A 79 12.730 7.441 0.905 1.00 0.00 H new ATOM 0 HA VAL A 79 15.632 7.717 0.258 1.00 0.00 H new ATOM 0 HB VAL A 79 13.858 9.927 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.506 11.329 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.312 10.229 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.314 9.860 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.385 10.636 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.171 9.157 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.668 9.044 -0.685 1.00 0.00 H new