USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 737 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 30 CYS SG : rot 110:sc= 0.372 USER MOD Set 1.2: A 79 CYS SG : rot -164:sc= -0.953 USER MOD Set 2.1: A 42 LYS NZ :NH3+ 176:sc= -2.09! (180deg=-2.15) USER MOD Set 2.2: A 77 TYR OH : rot -26:sc= -0.303 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 17 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.71) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 146:sc= -1.21 (180deg=-2.99!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.111 (180deg=-1.47!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.481 F(o=-2!,f=-0.48) USER MOD Single : A 53 TYR OH : rot -172:sc= -0.597 USER MOD Single : A 57 GLN : amide:sc= -0.817 K(o=-0.82,f=-1.6) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 62 CYS SG : rot -90:sc= -4.36 USER MOD Single : A 65 GLN : amide:sc=-0.00812 X(o=-0.0081,f=-0.092) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -115:sc= -0.712 (180deg=-4.57!) USER MOD Single : A 81 CYS SG : rot 109:sc= -3.11! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 140:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.213 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.169 26.788 -7.448 1.00 0.00 N ATOM 2 CA GLY A 1 -9.368 26.816 -6.011 1.00 0.00 C ATOM 3 C GLY A 1 -9.062 25.483 -5.357 1.00 0.00 C ATOM 4 O GLY A 1 -9.894 24.576 -5.362 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.391 27.722 -7.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.179 26.549 -7.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.794 26.073 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.732 27.586 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.400 27.095 -5.796 1.00 0.00 H new ATOM 8 N SER A 2 -7.864 25.364 -4.793 1.00 0.00 N ATOM 9 CA SER A 2 -7.448 24.130 -4.137 1.00 0.00 C ATOM 10 C SER A 2 -7.159 24.372 -2.658 1.00 0.00 C ATOM 11 O SER A 2 -7.025 25.514 -2.220 1.00 0.00 O ATOM 12 CB SER A 2 -6.208 23.555 -4.823 1.00 0.00 C ATOM 13 OG SER A 2 -6.529 23.028 -6.099 1.00 0.00 O ATOM 0 H SER A 2 -7.165 26.107 -4.777 1.00 0.00 H new ATOM 0 HA SER A 2 -8.264 23.412 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.452 24.334 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.775 22.772 -4.201 1.00 0.00 H new ATOM 0 HG SER A 2 -5.719 22.668 -6.517 1.00 0.00 H new ATOM 19 N SER A 3 -7.065 23.287 -1.895 1.00 0.00 N ATOM 20 CA SER A 3 -6.795 23.380 -0.465 1.00 0.00 C ATOM 21 C SER A 3 -5.356 22.981 -0.156 1.00 0.00 C ATOM 22 O SER A 3 -5.083 21.845 0.229 1.00 0.00 O ATOM 23 CB SER A 3 -7.762 22.489 0.316 1.00 0.00 C ATOM 24 OG SER A 3 -9.088 22.985 0.241 1.00 0.00 O ATOM 0 H SER A 3 -7.172 22.334 -2.243 1.00 0.00 H new ATOM 0 HA SER A 3 -6.939 24.416 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.727 21.474 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.449 22.435 1.359 1.00 0.00 H new ATOM 0 HG SER A 3 -9.686 22.397 0.747 1.00 0.00 H new ATOM 30 N GLY A 4 -4.436 23.926 -0.329 1.00 0.00 N ATOM 31 CA GLY A 4 -3.035 23.655 -0.065 1.00 0.00 C ATOM 32 C GLY A 4 -2.153 24.861 -0.320 1.00 0.00 C ATOM 33 O GLY A 4 -2.268 25.515 -1.357 1.00 0.00 O ATOM 0 H GLY A 4 -4.636 24.874 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.919 23.336 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.704 22.827 -0.692 1.00 0.00 H new ATOM 37 N SER A 5 -1.271 25.158 0.629 1.00 0.00 N ATOM 38 CA SER A 5 -0.369 26.298 0.504 1.00 0.00 C ATOM 39 C SER A 5 1.087 25.842 0.509 1.00 0.00 C ATOM 40 O SER A 5 1.816 26.047 -0.461 1.00 0.00 O ATOM 41 CB SER A 5 -0.608 27.291 1.643 1.00 0.00 C ATOM 42 OG SER A 5 0.100 28.499 1.424 1.00 0.00 O ATOM 0 H SER A 5 -1.161 24.626 1.492 1.00 0.00 H new ATOM 0 HA SER A 5 -0.574 26.790 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.674 27.501 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.294 26.848 2.588 1.00 0.00 H new ATOM 0 HG SER A 5 -0.071 29.117 2.165 1.00 0.00 H new ATOM 48 N SER A 6 1.502 25.222 1.609 1.00 0.00 N ATOM 49 CA SER A 6 2.872 24.739 1.743 1.00 0.00 C ATOM 50 C SER A 6 3.288 23.938 0.513 1.00 0.00 C ATOM 51 O SER A 6 4.265 24.270 -0.157 1.00 0.00 O ATOM 52 CB SER A 6 3.011 23.877 2.999 1.00 0.00 C ATOM 53 OG SER A 6 2.623 24.596 4.157 1.00 0.00 O ATOM 0 H SER A 6 0.910 25.042 2.420 1.00 0.00 H new ATOM 0 HA SER A 6 3.529 25.604 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.396 22.982 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.044 23.544 3.103 1.00 0.00 H new ATOM 0 HG SER A 6 2.719 24.022 4.946 1.00 0.00 H new ATOM 59 N GLY A 7 2.539 22.878 0.224 1.00 0.00 N ATOM 60 CA GLY A 7 2.845 22.045 -0.924 1.00 0.00 C ATOM 61 C GLY A 7 2.153 20.698 -0.863 1.00 0.00 C ATOM 62 O GLY A 7 1.630 20.291 0.174 1.00 0.00 O ATOM 0 H GLY A 7 1.726 22.582 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.546 22.563 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.923 21.894 -0.983 1.00 0.00 H new ATOM 66 N PRO A 8 2.143 19.981 -1.997 1.00 0.00 N ATOM 67 CA PRO A 8 1.512 18.662 -2.095 1.00 0.00 C ATOM 68 C PRO A 8 2.273 17.596 -1.313 1.00 0.00 C ATOM 69 O PRO A 8 3.245 17.897 -0.621 1.00 0.00 O ATOM 70 CB PRO A 8 1.555 18.358 -3.595 1.00 0.00 C ATOM 71 CG PRO A 8 2.702 19.157 -4.110 1.00 0.00 C ATOM 72 CD PRO A 8 2.747 20.404 -3.272 1.00 0.00 C ATOM 0 HA PRO A 8 0.506 18.659 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.699 17.293 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.623 18.642 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.634 18.598 -4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.567 19.400 -5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.768 20.759 -3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.186 21.218 -3.732 1.00 0.00 H new ATOM 80 N ALA A 9 1.825 16.351 -1.429 1.00 0.00 N ATOM 81 CA ALA A 9 2.465 15.240 -0.736 1.00 0.00 C ATOM 82 C ALA A 9 3.431 14.502 -1.656 1.00 0.00 C ATOM 83 O ALA A 9 3.020 13.887 -2.640 1.00 0.00 O ATOM 84 CB ALA A 9 1.416 14.283 -0.191 1.00 0.00 C ATOM 0 H ALA A 9 1.020 16.086 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 9 3.038 15.646 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.909 13.458 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.769 14.812 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.818 13.892 -1.014 1.00 0.00 H new ATOM 90 N LYS A 10 4.718 14.567 -1.330 1.00 0.00 N ATOM 91 CA LYS A 10 5.744 13.904 -2.127 1.00 0.00 C ATOM 92 C LYS A 10 6.249 12.648 -1.426 1.00 0.00 C ATOM 93 O LYS A 10 6.654 12.693 -0.264 1.00 0.00 O ATOM 94 CB LYS A 10 6.910 14.859 -2.390 1.00 0.00 C ATOM 95 CG LYS A 10 6.496 16.155 -3.064 1.00 0.00 C ATOM 96 CD LYS A 10 7.643 16.767 -3.850 1.00 0.00 C ATOM 97 CE LYS A 10 7.279 18.142 -4.389 1.00 0.00 C ATOM 98 NZ LYS A 10 8.485 18.916 -4.795 1.00 0.00 N ATOM 0 H LYS A 10 5.075 15.072 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 10 5.299 13.613 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.398 15.092 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.648 14.355 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.656 15.966 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.151 16.864 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.522 16.847 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.910 16.110 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.613 18.032 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.731 18.697 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.195 19.847 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.109 19.043 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.995 18.399 -5.540 1.00 0.00 H new ATOM 112 N PHE A 11 6.225 11.527 -2.140 1.00 0.00 N ATOM 113 CA PHE A 11 6.682 10.258 -1.586 1.00 0.00 C ATOM 114 C PHE A 11 8.116 10.370 -1.078 1.00 0.00 C ATOM 115 O PHE A 11 9.022 10.750 -1.820 1.00 0.00 O ATOM 116 CB PHE A 11 6.588 9.153 -2.641 1.00 0.00 C ATOM 117 CG PHE A 11 5.179 8.732 -2.945 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.451 9.366 -3.939 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.582 7.702 -2.236 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.154 8.981 -4.219 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.285 7.312 -2.513 1.00 0.00 C ATOM 122 CZ PHE A 11 2.570 7.951 -3.506 1.00 0.00 C ATOM 0 H PHE A 11 5.894 11.472 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 11 6.036 10.005 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.062 9.498 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.152 8.285 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.902 10.170 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.136 7.198 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.597 9.485 -4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.831 6.508 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.557 7.647 -3.725 1.00 0.00 H new ATOM 132 N THR A 12 8.315 10.038 0.194 1.00 0.00 N ATOM 133 CA THR A 12 9.637 10.103 0.804 1.00 0.00 C ATOM 134 C THR A 12 10.341 8.753 0.735 1.00 0.00 C ATOM 135 O THR A 12 11.523 8.676 0.400 1.00 0.00 O ATOM 136 CB THR A 12 9.556 10.553 2.275 1.00 0.00 C ATOM 137 OG1 THR A 12 8.616 9.739 2.985 1.00 0.00 O ATOM 138 CG2 THR A 12 9.144 12.015 2.372 1.00 0.00 C ATOM 0 H THR A 12 7.576 9.721 0.822 1.00 0.00 H new ATOM 0 HA THR A 12 10.210 10.838 0.239 1.00 0.00 H new ATOM 0 HB THR A 12 10.544 10.440 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.572 10.030 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.094 12.310 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.877 12.635 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.166 12.149 1.910 1.00 0.00 H new ATOM 146 N GLU A 13 9.608 7.691 1.054 1.00 0.00 N ATOM 147 CA GLU A 13 10.164 6.344 1.028 1.00 0.00 C ATOM 148 C GLU A 13 9.644 5.563 -0.176 1.00 0.00 C ATOM 149 O GLU A 13 10.312 4.662 -0.681 1.00 0.00 O ATOM 150 CB GLU A 13 9.818 5.600 2.320 1.00 0.00 C ATOM 151 CG GLU A 13 10.387 6.252 3.569 1.00 0.00 C ATOM 152 CD GLU A 13 11.891 6.092 3.677 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.617 6.803 2.951 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.342 5.255 4.487 1.00 0.00 O ATOM 0 H GLU A 13 8.628 7.738 1.333 1.00 0.00 H new ATOM 0 HA GLU A 13 11.248 6.428 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.734 5.538 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.191 4.578 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.138 7.313 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.915 5.816 4.449 1.00 0.00 H new ATOM 161 N GLY A 14 8.445 5.917 -0.630 1.00 0.00 N ATOM 162 CA GLY A 14 7.855 5.240 -1.770 1.00 0.00 C ATOM 163 C GLY A 14 7.612 3.767 -1.508 1.00 0.00 C ATOM 164 O GLY A 14 8.049 3.230 -0.489 1.00 0.00 O ATOM 0 H GLY A 14 7.873 6.660 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.911 5.721 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.512 5.349 -2.633 1.00 0.00 H new ATOM 168 N LEU A 15 6.913 3.111 -2.427 1.00 0.00 N ATOM 169 CA LEU A 15 6.611 1.691 -2.291 1.00 0.00 C ATOM 170 C LEU A 15 7.887 0.856 -2.334 1.00 0.00 C ATOM 171 O LEU A 15 8.983 1.389 -2.511 1.00 0.00 O ATOM 172 CB LEU A 15 5.658 1.243 -3.400 1.00 0.00 C ATOM 173 CG LEU A 15 4.188 1.623 -3.216 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.408 1.376 -4.498 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.577 0.845 -2.059 1.00 0.00 C ATOM 0 H LEU A 15 6.544 3.540 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 15 6.131 1.538 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.006 1.664 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.724 0.159 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 15 4.134 2.686 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.364 1.652 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.830 1.978 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.469 0.321 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.531 1.128 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.643 -0.224 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.119 1.073 -1.141 1.00 0.00 H new ATOM 187 N ARG A 16 7.737 -0.454 -2.172 1.00 0.00 N ATOM 188 CA ARG A 16 8.877 -1.362 -2.194 1.00 0.00 C ATOM 189 C ARG A 16 8.433 -2.786 -2.517 1.00 0.00 C ATOM 190 O ARG A 16 7.563 -3.342 -1.848 1.00 0.00 O ATOM 191 CB ARG A 16 9.602 -1.337 -0.847 1.00 0.00 C ATOM 192 CG ARG A 16 8.664 -1.317 0.349 1.00 0.00 C ATOM 193 CD ARG A 16 9.362 -1.795 1.613 1.00 0.00 C ATOM 194 NE ARG A 16 9.647 -3.227 1.572 1.00 0.00 N ATOM 195 CZ ARG A 16 10.487 -3.833 2.404 1.00 0.00 C ATOM 196 NH1 ARG A 16 11.120 -3.136 3.337 1.00 0.00 N ATOM 197 NH2 ARG A 16 10.694 -5.140 2.304 1.00 0.00 N ATOM 0 H ARG A 16 6.837 -0.911 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 16 9.560 -1.027 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.249 -2.211 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.247 -0.459 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.287 -0.305 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.801 -1.951 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.293 -1.244 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.737 -1.574 2.478 1.00 0.00 H new ATOM 0 HE ARG A 16 9.175 -3.793 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.963 -2.131 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.764 -3.604 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.208 -5.680 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.339 -5.605 2.943 1.00 0.00 H new ATOM 211 N ASN A 17 9.035 -3.368 -3.549 1.00 0.00 N ATOM 212 CA ASN A 17 8.701 -4.726 -3.962 1.00 0.00 C ATOM 213 C ASN A 17 8.674 -5.669 -2.763 1.00 0.00 C ATOM 214 O ASN A 17 9.664 -5.804 -2.045 1.00 0.00 O ATOM 215 CB ASN A 17 9.708 -5.229 -4.998 1.00 0.00 C ATOM 216 CG ASN A 17 10.938 -5.844 -4.357 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.030 -7.063 -4.208 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.889 -5.001 -3.974 1.00 0.00 N ATOM 0 H ASN A 17 9.756 -2.921 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 17 7.707 -4.708 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.227 -5.968 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.011 -4.401 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.739 -5.356 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.770 -3.998 -4.117 1.00 0.00 H new ATOM 225 N GLU A 18 7.533 -6.319 -2.553 1.00 0.00 N ATOM 226 CA GLU A 18 7.377 -7.248 -1.441 1.00 0.00 C ATOM 227 C GLU A 18 6.771 -8.567 -1.914 1.00 0.00 C ATOM 228 O GLU A 18 6.329 -8.683 -3.056 1.00 0.00 O ATOM 229 CB GLU A 18 6.497 -6.632 -0.351 1.00 0.00 C ATOM 230 CG GLU A 18 5.017 -6.928 -0.524 1.00 0.00 C ATOM 231 CD GLU A 18 4.588 -8.195 0.191 1.00 0.00 C ATOM 232 OE1 GLU A 18 4.652 -8.222 1.438 1.00 0.00 O ATOM 233 OE2 GLU A 18 4.189 -9.158 -0.495 1.00 0.00 O ATOM 0 H GLU A 18 6.704 -6.219 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 18 8.366 -7.449 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.822 -7.005 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.645 -5.552 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.436 -6.087 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.790 -7.020 -1.586 1.00 0.00 H new ATOM 240 N GLU A 19 6.757 -9.557 -1.027 1.00 0.00 N ATOM 241 CA GLU A 19 6.207 -10.867 -1.354 1.00 0.00 C ATOM 242 C GLU A 19 5.358 -11.403 -0.206 1.00 0.00 C ATOM 243 O GLU A 19 5.452 -10.926 0.925 1.00 0.00 O ATOM 244 CB GLU A 19 7.333 -11.852 -1.674 1.00 0.00 C ATOM 245 CG GLU A 19 8.040 -12.390 -0.441 1.00 0.00 C ATOM 246 CD GLU A 19 8.891 -13.608 -0.741 1.00 0.00 C ATOM 247 OE1 GLU A 19 9.914 -13.458 -1.441 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.535 -14.710 -0.276 1.00 0.00 O ATOM 0 H GLU A 19 7.120 -9.477 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 19 5.571 -10.756 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.923 -12.688 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.064 -11.360 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.669 -11.607 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.298 -12.647 0.315 1.00 0.00 H new ATOM 255 N ALA A 20 4.529 -12.398 -0.505 1.00 0.00 N ATOM 256 CA ALA A 20 3.664 -13.001 0.502 1.00 0.00 C ATOM 257 C ALA A 20 3.241 -14.407 0.092 1.00 0.00 C ATOM 258 O ALA A 20 3.639 -14.903 -0.962 1.00 0.00 O ATOM 259 CB ALA A 20 2.441 -12.127 0.738 1.00 0.00 C ATOM 0 H ALA A 20 4.438 -12.804 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 20 4.228 -13.077 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.804 -12.589 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.758 -11.143 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.884 -12.022 -0.193 1.00 0.00 H new ATOM 265 N VAL A 21 2.433 -15.046 0.932 1.00 0.00 N ATOM 266 CA VAL A 21 1.956 -16.396 0.657 1.00 0.00 C ATOM 267 C VAL A 21 0.490 -16.386 0.238 1.00 0.00 C ATOM 268 O VAL A 21 -0.305 -15.596 0.747 1.00 0.00 O ATOM 269 CB VAL A 21 2.122 -17.311 1.884 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.634 -18.718 1.571 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.572 -17.330 2.342 1.00 0.00 C ATOM 0 H VAL A 21 2.095 -14.650 1.809 1.00 0.00 H new ATOM 0 HA VAL A 21 2.562 -16.785 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 21 1.514 -16.914 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.759 -19.350 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.580 -18.685 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.213 -19.128 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.671 -17.982 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.204 -17.702 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.882 -16.320 2.609 1.00 0.00 H new ATOM 281 N GLU A 22 0.140 -17.269 -0.692 1.00 0.00 N ATOM 282 CA GLU A 22 -1.232 -17.361 -1.179 1.00 0.00 C ATOM 283 C GLU A 22 -2.216 -17.459 -0.017 1.00 0.00 C ATOM 284 O GLU A 22 -1.925 -18.076 1.007 1.00 0.00 O ATOM 285 CB GLU A 22 -1.389 -18.573 -2.099 1.00 0.00 C ATOM 286 CG GLU A 22 -0.883 -18.335 -3.512 1.00 0.00 C ATOM 287 CD GLU A 22 -1.394 -19.368 -4.497 1.00 0.00 C ATOM 288 OE1 GLU A 22 -2.581 -19.743 -4.401 1.00 0.00 O ATOM 289 OE2 GLU A 22 -0.606 -19.801 -5.364 1.00 0.00 O ATOM 0 H GLU A 22 0.786 -17.930 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.452 -16.455 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.852 -19.418 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.442 -18.852 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.189 -17.342 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.207 -18.348 -3.510 1.00 0.00 H new ATOM 296 N GLY A 23 -3.383 -16.845 -0.184 1.00 0.00 N ATOM 297 CA GLY A 23 -4.393 -16.874 0.858 1.00 0.00 C ATOM 298 C GLY A 23 -4.169 -15.809 1.913 1.00 0.00 C ATOM 299 O GLY A 23 -5.122 -15.226 2.428 1.00 0.00 O ATOM 0 H GLY A 23 -3.647 -16.328 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.377 -16.736 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.394 -17.856 1.332 1.00 0.00 H new ATOM 303 N ALA A 24 -2.905 -15.555 2.236 1.00 0.00 N ATOM 304 CA ALA A 24 -2.558 -14.553 3.236 1.00 0.00 C ATOM 305 C ALA A 24 -2.934 -13.152 2.762 1.00 0.00 C ATOM 306 O ALA A 24 -3.496 -12.981 1.680 1.00 0.00 O ATOM 307 CB ALA A 24 -1.073 -14.622 3.560 1.00 0.00 C ATOM 0 H ALA A 24 -2.104 -16.030 1.819 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.126 -14.767 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.828 -13.868 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.831 -15.611 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.494 -14.436 2.655 1.00 0.00 H new ATOM 313 N THR A 25 -2.620 -12.152 3.580 1.00 0.00 N ATOM 314 CA THR A 25 -2.926 -10.767 3.246 1.00 0.00 C ATOM 315 C THR A 25 -1.652 -9.955 3.049 1.00 0.00 C ATOM 316 O THR A 25 -0.979 -9.593 4.014 1.00 0.00 O ATOM 317 CB THR A 25 -3.782 -10.101 4.340 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.921 -10.917 4.635 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.241 -8.719 3.901 1.00 0.00 C ATOM 0 H THR A 25 -2.154 -12.276 4.479 1.00 0.00 H new ATOM 0 HA THR A 25 -3.491 -10.784 2.314 1.00 0.00 H new ATOM 0 HB THR A 25 -3.170 -9.995 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.459 -10.488 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.844 -8.268 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.371 -8.092 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.837 -8.805 2.993 1.00 0.00 H new ATOM 327 N ALA A 26 -1.325 -9.670 1.792 1.00 0.00 N ATOM 328 CA ALA A 26 -0.133 -8.897 1.469 1.00 0.00 C ATOM 329 C ALA A 26 -0.036 -7.647 2.338 1.00 0.00 C ATOM 330 O ALA A 26 -0.987 -7.286 3.029 1.00 0.00 O ATOM 331 CB ALA A 26 -0.132 -8.519 -0.005 1.00 0.00 C ATOM 0 H ALA A 26 -1.870 -9.963 0.981 1.00 0.00 H new ATOM 0 HA ALA A 26 0.739 -9.518 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.764 -7.942 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.144 -9.424 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.015 -7.920 -0.228 1.00 0.00 H new ATOM 337 N MET A 27 1.120 -6.992 2.297 1.00 0.00 N ATOM 338 CA MET A 27 1.340 -5.783 3.081 1.00 0.00 C ATOM 339 C MET A 27 2.175 -4.773 2.300 1.00 0.00 C ATOM 340 O MET A 27 3.364 -4.988 2.061 1.00 0.00 O ATOM 341 CB MET A 27 2.034 -6.124 4.401 1.00 0.00 C ATOM 342 CG MET A 27 2.467 -4.901 5.194 1.00 0.00 C ATOM 343 SD MET A 27 1.178 -4.302 6.304 1.00 0.00 S ATOM 344 CE MET A 27 0.398 -3.059 5.278 1.00 0.00 C ATOM 0 H MET A 27 1.918 -7.278 1.730 1.00 0.00 H new ATOM 0 HA MET A 27 0.369 -5.337 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.359 -6.723 5.012 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.909 -6.741 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.357 -5.145 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.746 -4.105 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.670 -3.029 5.492 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.838 -2.084 5.489 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.551 -3.306 4.227 1.00 0.00 H new ATOM 354 N LEU A 28 1.546 -3.672 1.905 1.00 0.00 N ATOM 355 CA LEU A 28 2.231 -2.628 1.150 1.00 0.00 C ATOM 356 C LEU A 28 1.949 -1.252 1.744 1.00 0.00 C ATOM 357 O LEU A 28 0.800 -0.812 1.796 1.00 0.00 O ATOM 358 CB LEU A 28 1.796 -2.663 -0.316 1.00 0.00 C ATOM 359 CG LEU A 28 2.272 -3.867 -1.130 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.285 -4.183 -2.243 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.659 -3.609 -1.701 1.00 0.00 C ATOM 0 H LEU A 28 0.563 -3.479 2.095 1.00 0.00 H new ATOM 0 HA LEU A 28 3.303 -2.815 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.707 -2.634 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.155 -1.756 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 28 2.328 -4.731 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.640 -5.042 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.311 -4.411 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.196 -3.322 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.982 -4.476 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.628 -2.733 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.361 -3.433 -0.886 1.00 0.00 H new ATOM 373 N TRP A 29 3.003 -0.578 2.187 1.00 0.00 N ATOM 374 CA TRP A 29 2.869 0.750 2.775 1.00 0.00 C ATOM 375 C TRP A 29 3.761 1.757 2.057 1.00 0.00 C ATOM 376 O TRP A 29 4.688 1.377 1.340 1.00 0.00 O ATOM 377 CB TRP A 29 3.220 0.709 4.263 1.00 0.00 C ATOM 378 CG TRP A 29 4.676 0.467 4.524 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.266 -0.724 4.835 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.725 1.442 4.497 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.618 -0.550 5.003 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.925 0.770 4.800 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.767 2.815 4.244 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.151 1.427 4.859 1.00 0.00 C ATOM 385 CZ3 TRP A 29 6.985 3.466 4.302 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.164 2.772 4.607 1.00 0.00 C ATOM 0 H TRP A 29 3.960 -0.929 2.151 1.00 0.00 H new ATOM 0 HA TRP A 29 1.832 1.067 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.928 1.652 4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.637 -0.076 4.745 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.746 -1.665 4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.285 -1.284 5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.864 3.358 4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.060 0.894 5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.029 4.528 4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.100 3.309 4.644 1.00 0.00 H new ATOM 397 N CYS A 30 3.476 3.039 2.254 1.00 0.00 N ATOM 398 CA CYS A 30 4.254 4.100 1.624 1.00 0.00 C ATOM 399 C CYS A 30 4.196 5.381 2.450 1.00 0.00 C ATOM 400 O CYS A 30 3.190 5.668 3.097 1.00 0.00 O ATOM 401 CB CYS A 30 3.738 4.368 0.209 1.00 0.00 C ATOM 402 SG CYS A 30 1.980 4.785 0.131 1.00 0.00 S ATOM 0 H CYS A 30 2.713 3.369 2.844 1.00 0.00 H new ATOM 0 HA CYS A 30 5.292 3.771 1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.314 5.184 -0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.919 3.486 -0.405 1.00 0.00 H new ATOM 0 HG CYS A 30 1.845 6.039 -0.186 1.00 0.00 H new ATOM 408 N GLU A 31 5.284 6.145 2.425 1.00 0.00 N ATOM 409 CA GLU A 31 5.357 7.394 3.174 1.00 0.00 C ATOM 410 C GLU A 31 5.181 8.595 2.249 1.00 0.00 C ATOM 411 O GLU A 31 5.492 8.527 1.059 1.00 0.00 O ATOM 412 CB GLU A 31 6.694 7.495 3.911 1.00 0.00 C ATOM 413 CG GLU A 31 6.655 6.932 5.322 1.00 0.00 C ATOM 414 CD GLU A 31 8.030 6.852 5.956 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.781 7.847 5.871 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.356 5.796 6.536 1.00 0.00 O ATOM 0 H GLU A 31 6.126 5.921 1.895 1.00 0.00 H new ATOM 0 HA GLU A 31 4.547 7.398 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.456 6.966 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.997 8.541 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.010 7.556 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.211 5.937 5.300 1.00 0.00 H new ATOM 423 N LEU A 32 4.681 9.693 2.804 1.00 0.00 N ATOM 424 CA LEU A 32 4.463 10.910 2.029 1.00 0.00 C ATOM 425 C LEU A 32 4.921 12.140 2.807 1.00 0.00 C ATOM 426 O LEU A 32 4.800 12.193 4.031 1.00 0.00 O ATOM 427 CB LEU A 32 2.984 11.046 1.662 1.00 0.00 C ATOM 428 CG LEU A 32 2.298 9.776 1.160 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.820 9.789 1.521 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.479 9.630 -0.344 1.00 0.00 C ATOM 0 H LEU A 32 4.419 9.766 3.787 1.00 0.00 H new ATOM 0 HA LEU A 32 5.053 10.840 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.444 11.404 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.890 11.814 0.894 1.00 0.00 H new ATOM 0 HG LEU A 32 2.763 8.919 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.348 8.877 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.710 9.845 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.341 10.654 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.984 8.720 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.041 10.491 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.542 9.574 -0.579 1.00 0.00 H new ATOM 442 N SER A 33 5.445 13.127 2.088 1.00 0.00 N ATOM 443 CA SER A 33 5.922 14.356 2.711 1.00 0.00 C ATOM 444 C SER A 33 4.854 14.954 3.622 1.00 0.00 C ATOM 445 O SER A 33 5.151 15.774 4.492 1.00 0.00 O ATOM 446 CB SER A 33 6.323 15.373 1.641 1.00 0.00 C ATOM 447 OG SER A 33 7.318 16.258 2.125 1.00 0.00 O ATOM 0 H SER A 33 5.550 13.100 1.074 1.00 0.00 H new ATOM 0 HA SER A 33 6.795 14.112 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.694 14.850 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.447 15.942 1.329 1.00 0.00 H new ATOM 0 HG SER A 33 7.558 16.897 1.422 1.00 0.00 H new ATOM 453 N LYS A 34 3.610 14.537 3.416 1.00 0.00 N ATOM 454 CA LYS A 34 2.495 15.029 4.218 1.00 0.00 C ATOM 455 C LYS A 34 1.282 14.114 4.083 1.00 0.00 C ATOM 456 O LYS A 34 0.976 13.629 2.993 1.00 0.00 O ATOM 457 CB LYS A 34 2.124 16.452 3.795 1.00 0.00 C ATOM 458 CG LYS A 34 2.027 16.633 2.290 1.00 0.00 C ATOM 459 CD LYS A 34 1.108 17.786 1.925 1.00 0.00 C ATOM 460 CE LYS A 34 -0.339 17.331 1.810 1.00 0.00 C ATOM 461 NZ LYS A 34 -0.986 17.195 3.144 1.00 0.00 N ATOM 0 H LYS A 34 3.348 13.859 2.700 1.00 0.00 H new ATOM 0 HA LYS A 34 2.807 15.037 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.169 16.719 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.868 17.145 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.020 16.815 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.657 15.714 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.186 18.568 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.429 18.223 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.898 18.047 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.379 16.375 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.982 17.486 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.935 16.204 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.493 17.800 3.832 1.00 0.00 H new ATOM 475 N VAL A 35 0.594 13.883 5.196 1.00 0.00 N ATOM 476 CA VAL A 35 -0.588 13.028 5.201 1.00 0.00 C ATOM 477 C VAL A 35 -1.580 13.457 4.126 1.00 0.00 C ATOM 478 O VAL A 35 -1.989 14.617 4.072 1.00 0.00 O ATOM 479 CB VAL A 35 -1.290 13.049 6.571 1.00 0.00 C ATOM 480 CG1 VAL A 35 -1.542 14.481 7.020 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.591 12.263 6.514 1.00 0.00 C ATOM 0 H VAL A 35 0.834 14.276 6.106 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.247 12.014 4.992 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.636 12.574 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.039 14.476 7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.592 15.009 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.176 14.985 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.074 12.288 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.252 12.708 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.380 11.229 6.240 1.00 0.00 H new ATOM 491 N ALA A 36 -1.965 12.514 3.273 1.00 0.00 N ATOM 492 CA ALA A 36 -2.912 12.793 2.201 1.00 0.00 C ATOM 493 C ALA A 36 -3.646 11.527 1.773 1.00 0.00 C ATOM 494 O ALA A 36 -3.188 10.407 2.002 1.00 0.00 O ATOM 495 CB ALA A 36 -2.195 13.417 1.012 1.00 0.00 C ATOM 0 H ALA A 36 -1.635 11.549 3.304 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.651 13.500 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.915 13.620 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.722 14.349 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.434 12.729 0.644 1.00 0.00 H new ATOM 501 N PRO A 37 -4.814 11.705 1.137 1.00 0.00 N ATOM 502 CA PRO A 37 -5.636 10.588 0.664 1.00 0.00 C ATOM 503 C PRO A 37 -4.997 9.853 -0.509 1.00 0.00 C ATOM 504 O PRO A 37 -4.997 10.346 -1.637 1.00 0.00 O ATOM 505 CB PRO A 37 -6.937 11.265 0.227 1.00 0.00 C ATOM 506 CG PRO A 37 -6.543 12.662 -0.107 1.00 0.00 C ATOM 507 CD PRO A 37 -5.421 13.011 0.830 1.00 0.00 C ATOM 0 HA PRO A 37 -5.773 9.828 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.376 10.761 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.681 11.243 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.222 12.739 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.383 13.345 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.704 13.688 0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.788 13.505 1.730 1.00 0.00 H new ATOM 515 N VAL A 38 -4.454 8.671 -0.237 1.00 0.00 N ATOM 516 CA VAL A 38 -3.812 7.868 -1.271 1.00 0.00 C ATOM 517 C VAL A 38 -4.833 7.015 -2.016 1.00 0.00 C ATOM 518 O VAL A 38 -5.927 6.760 -1.514 1.00 0.00 O ATOM 519 CB VAL A 38 -2.729 6.949 -0.676 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.594 7.773 -0.087 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.330 6.027 0.374 1.00 0.00 C ATOM 0 H VAL A 38 -4.446 8.248 0.691 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.345 8.564 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.321 6.332 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.838 7.107 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.146 8.387 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.983 8.417 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.550 5.385 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.767 6.624 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.104 5.411 -0.083 1.00 0.00 H new ATOM 531 N GLU A 39 -4.467 6.578 -3.217 1.00 0.00 N ATOM 532 CA GLU A 39 -5.352 5.755 -4.032 1.00 0.00 C ATOM 533 C GLU A 39 -4.593 4.578 -4.640 1.00 0.00 C ATOM 534 O GLU A 39 -3.804 4.749 -5.570 1.00 0.00 O ATOM 535 CB GLU A 39 -5.988 6.594 -5.142 1.00 0.00 C ATOM 536 CG GLU A 39 -6.759 7.798 -4.628 1.00 0.00 C ATOM 537 CD GLU A 39 -8.135 7.431 -4.108 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.948 6.908 -4.899 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.400 7.667 -2.911 1.00 0.00 O ATOM 0 H GLU A 39 -3.564 6.780 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.139 5.364 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.207 6.936 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.661 5.963 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.189 8.276 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.861 8.529 -5.430 1.00 0.00 H new ATOM 546 N TRP A 40 -4.837 3.386 -4.108 1.00 0.00 N ATOM 547 CA TRP A 40 -4.177 2.182 -4.598 1.00 0.00 C ATOM 548 C TRP A 40 -4.804 1.710 -5.905 1.00 0.00 C ATOM 549 O TRP A 40 -6.027 1.679 -6.041 1.00 0.00 O ATOM 550 CB TRP A 40 -4.255 1.070 -3.550 1.00 0.00 C ATOM 551 CG TRP A 40 -3.838 1.514 -2.180 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.613 2.151 -1.253 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.545 1.357 -1.586 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.880 2.398 -0.118 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.608 1.921 -0.296 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.341 0.794 -2.016 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.513 1.937 0.563 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.255 0.811 -1.162 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.347 1.378 0.116 1.00 0.00 C ATOM 0 H TRP A 40 -5.487 3.228 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.131 2.423 -4.785 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.277 0.693 -3.506 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.622 0.240 -3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.649 2.421 -1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.227 2.862 0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.260 0.353 -2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.581 2.375 1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.681 0.380 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.519 1.374 0.761 1.00 0.00 H new ATOM 570 N ARG A 41 -3.959 1.343 -6.863 1.00 0.00 N ATOM 571 CA ARG A 41 -4.432 0.874 -8.160 1.00 0.00 C ATOM 572 C ARG A 41 -3.564 -0.272 -8.673 1.00 0.00 C ATOM 573 O ARG A 41 -2.388 -0.377 -8.327 1.00 0.00 O ATOM 574 CB ARG A 41 -4.432 2.021 -9.172 1.00 0.00 C ATOM 575 CG ARG A 41 -5.708 2.846 -9.157 1.00 0.00 C ATOM 576 CD ARG A 41 -5.595 4.063 -10.061 1.00 0.00 C ATOM 577 NE ARG A 41 -6.899 4.510 -10.544 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.799 5.116 -9.777 1.00 0.00 C ATOM 579 NH1 ARG A 41 -7.536 5.346 -8.497 1.00 0.00 N ATOM 580 NH2 ARG A 41 -8.963 5.493 -10.289 1.00 0.00 N ATOM 0 H ARG A 41 -2.944 1.361 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.451 0.508 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.584 2.675 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.285 1.612 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.546 2.228 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.923 3.167 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.112 4.875 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.956 3.825 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.131 4.348 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.642 5.058 -8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.228 5.811 -7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.168 5.318 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.653 5.958 -9.699 1.00 0.00 H new ATOM 594 N LYS A 42 -4.153 -1.129 -9.501 1.00 0.00 N ATOM 595 CA LYS A 42 -3.435 -2.266 -10.063 1.00 0.00 C ATOM 596 C LYS A 42 -3.564 -2.294 -11.582 1.00 0.00 C ATOM 597 O LYS A 42 -4.490 -2.896 -12.126 1.00 0.00 O ATOM 598 CB LYS A 42 -3.967 -3.574 -9.471 1.00 0.00 C ATOM 599 CG LYS A 42 -2.993 -4.734 -9.586 1.00 0.00 C ATOM 600 CD LYS A 42 -3.453 -5.931 -8.772 1.00 0.00 C ATOM 601 CE LYS A 42 -2.549 -7.134 -8.989 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.265 -8.417 -8.749 1.00 0.00 N ATOM 0 H LYS A 42 -5.126 -1.057 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.381 -2.161 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.208 -3.416 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.896 -3.840 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.891 -5.022 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.007 -4.418 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.465 -5.670 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.476 -6.189 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.163 -7.119 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.690 -7.067 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.635 -9.213 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.553 -8.473 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.109 -8.462 -9.355 1.00 0.00 H new ATOM 616 N GLY A 43 -2.629 -1.639 -12.263 1.00 0.00 N ATOM 617 CA GLY A 43 -2.656 -1.603 -13.714 1.00 0.00 C ATOM 618 C GLY A 43 -4.027 -1.256 -14.260 1.00 0.00 C ATOM 619 O GLY A 43 -4.556 -0.170 -14.023 1.00 0.00 O ATOM 0 H GLY A 43 -1.853 -1.133 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.931 -0.871 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.348 -2.573 -14.104 1.00 0.00 H new ATOM 623 N PRO A 44 -4.623 -2.194 -15.011 1.00 0.00 N ATOM 624 CA PRO A 44 -5.948 -2.004 -15.608 1.00 0.00 C ATOM 625 C PRO A 44 -7.059 -1.994 -14.564 1.00 0.00 C ATOM 626 O PRO A 44 -8.130 -1.432 -14.790 1.00 0.00 O ATOM 627 CB PRO A 44 -6.096 -3.214 -16.535 1.00 0.00 C ATOM 628 CG PRO A 44 -5.207 -4.254 -15.945 1.00 0.00 C ATOM 629 CD PRO A 44 -4.051 -3.511 -15.334 1.00 0.00 C ATOM 0 HA PRO A 44 -6.031 -1.045 -16.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.130 -3.555 -16.578 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.798 -2.970 -17.555 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.736 -4.839 -15.193 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.863 -4.952 -16.708 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.675 -4.015 -14.444 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.216 -3.427 -16.029 1.00 0.00 H new ATOM 637 N GLU A 45 -6.796 -2.620 -13.421 1.00 0.00 N ATOM 638 CA GLU A 45 -7.776 -2.682 -12.342 1.00 0.00 C ATOM 639 C GLU A 45 -7.754 -1.401 -11.513 1.00 0.00 C ATOM 640 O GLU A 45 -6.958 -0.499 -11.767 1.00 0.00 O ATOM 641 CB GLU A 45 -7.500 -3.889 -11.443 1.00 0.00 C ATOM 642 CG GLU A 45 -8.218 -5.153 -11.884 1.00 0.00 C ATOM 643 CD GLU A 45 -9.696 -4.927 -12.137 1.00 0.00 C ATOM 644 OE1 GLU A 45 -10.324 -4.177 -11.360 1.00 0.00 O ATOM 645 OE2 GLU A 45 -10.225 -5.499 -13.113 1.00 0.00 O ATOM 0 H GLU A 45 -5.914 -3.091 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.765 -2.788 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.427 -4.079 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.800 -3.648 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.752 -5.533 -12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.097 -5.920 -11.119 1.00 0.00 H new ATOM 652 N ASN A 46 -8.637 -1.330 -10.522 1.00 0.00 N ATOM 653 CA ASN A 46 -8.721 -0.160 -9.656 1.00 0.00 C ATOM 654 C ASN A 46 -9.046 -0.566 -8.221 1.00 0.00 C ATOM 655 O ASN A 46 -10.014 -1.285 -7.973 1.00 0.00 O ATOM 656 CB ASN A 46 -9.784 0.810 -10.176 1.00 0.00 C ATOM 657 CG ASN A 46 -11.168 0.190 -10.204 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.317 -0.888 -10.964 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -12.090 0.676 -9.550 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.304 -2.069 -10.299 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.750 0.336 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.800 1.699 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.514 1.136 -11.181 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.928 1.506 -8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.016 0.249 -9.578 1.00 0.00 H new ATOM 666 N LEU A 47 -8.230 -0.102 -7.281 1.00 0.00 N ATOM 667 CA LEU A 47 -8.431 -0.416 -5.871 1.00 0.00 C ATOM 668 C LEU A 47 -8.888 0.817 -5.098 1.00 0.00 C ATOM 669 O LEU A 47 -8.703 1.948 -5.548 1.00 0.00 O ATOM 670 CB LEU A 47 -7.139 -0.963 -5.262 1.00 0.00 C ATOM 671 CG LEU A 47 -6.249 -1.781 -6.198 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.935 -2.130 -5.517 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.968 -3.043 -6.651 1.00 0.00 C ATOM 0 H LEU A 47 -7.423 0.493 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.210 -1.175 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.557 -0.124 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.400 -1.585 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.029 -1.176 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.315 -2.712 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.412 -1.213 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.135 -2.715 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.319 -3.612 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.219 -3.651 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.882 -2.771 -7.180 1.00 0.00 H new ATOM 685 N ARG A 48 -9.484 0.591 -3.932 1.00 0.00 N ATOM 686 CA ARG A 48 -9.967 1.683 -3.096 1.00 0.00 C ATOM 687 C ARG A 48 -10.480 1.158 -1.758 1.00 0.00 C ATOM 688 O ARG A 48 -10.821 -0.018 -1.631 1.00 0.00 O ATOM 689 CB ARG A 48 -11.078 2.451 -3.814 1.00 0.00 C ATOM 690 CG ARG A 48 -12.318 1.615 -4.087 1.00 0.00 C ATOM 691 CD ARG A 48 -13.575 2.470 -4.096 1.00 0.00 C ATOM 692 NE ARG A 48 -13.819 3.070 -5.405 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.206 2.378 -6.470 1.00 0.00 C ATOM 694 NH1 ARG A 48 -14.393 1.068 -6.382 1.00 0.00 N ATOM 695 NH2 ARG A 48 -14.408 2.996 -7.627 1.00 0.00 N ATOM 0 H ARG A 48 -9.644 -0.339 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.132 2.358 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.358 3.315 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.692 2.833 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.213 1.110 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.410 0.839 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.431 1.858 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.483 3.257 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.685 4.076 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.240 0.589 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.690 0.539 -7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.266 4.004 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.705 2.463 -8.445 1.00 0.00 H new ATOM 709 N ASP A 49 -10.529 2.037 -0.763 1.00 0.00 N ATOM 710 CA ASP A 49 -11.001 1.663 0.565 1.00 0.00 C ATOM 711 C ASP A 49 -12.436 1.148 0.507 1.00 0.00 C ATOM 712 O ASP A 49 -13.380 1.925 0.373 1.00 0.00 O ATOM 713 CB ASP A 49 -10.913 2.858 1.516 1.00 0.00 C ATOM 714 CG ASP A 49 -11.674 2.627 2.807 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.194 1.838 3.647 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.750 3.238 2.977 1.00 0.00 O ATOM 0 H ASP A 49 -10.248 3.013 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.362 0.863 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.867 3.060 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.307 3.744 1.019 1.00 0.00 H new ATOM 721 N GLY A 50 -12.591 -0.169 0.609 1.00 0.00 N ATOM 722 CA GLY A 50 -13.913 -0.765 0.565 1.00 0.00 C ATOM 723 C GLY A 50 -14.067 -1.908 1.549 1.00 0.00 C ATOM 724 O GLY A 50 -14.078 -1.694 2.762 1.00 0.00 O ATOM 0 H GLY A 50 -11.825 -0.833 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.660 -0.001 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.111 -1.129 -0.443 1.00 0.00 H new ATOM 728 N ASP A 51 -14.188 -3.124 1.028 1.00 0.00 N ATOM 729 CA ASP A 51 -14.343 -4.305 1.869 1.00 0.00 C ATOM 730 C ASP A 51 -13.259 -5.335 1.564 1.00 0.00 C ATOM 731 O ASP A 51 -12.797 -6.045 2.457 1.00 0.00 O ATOM 732 CB ASP A 51 -15.726 -4.925 1.665 1.00 0.00 C ATOM 733 CG ASP A 51 -16.817 -4.156 2.383 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.650 -3.876 3.588 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.839 -3.835 1.740 1.00 0.00 O ATOM 0 H ASP A 51 -14.182 -3.318 0.027 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.243 -3.996 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.952 -4.960 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.716 -5.955 2.023 1.00 0.00 H new ATOM 740 N ARG A 52 -12.861 -5.410 0.299 1.00 0.00 N ATOM 741 CA ARG A 52 -11.834 -6.354 -0.124 1.00 0.00 C ATOM 742 C ARG A 52 -10.439 -5.777 0.098 1.00 0.00 C ATOM 743 O ARG A 52 -9.474 -6.516 0.292 1.00 0.00 O ATOM 744 CB ARG A 52 -12.019 -6.716 -1.599 1.00 0.00 C ATOM 745 CG ARG A 52 -11.920 -5.523 -2.535 1.00 0.00 C ATOM 746 CD ARG A 52 -12.313 -5.896 -3.956 1.00 0.00 C ATOM 747 NE ARG A 52 -13.710 -6.311 -4.047 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.729 -5.459 -4.077 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.508 -4.153 -4.024 1.00 0.00 N ATOM 750 NH2 ARG A 52 -15.973 -5.914 -4.160 1.00 0.00 N ATOM 0 H ARG A 52 -13.234 -4.828 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.935 -7.256 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.266 -7.452 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.992 -7.190 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.567 -4.723 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.901 -5.137 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.145 -5.044 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.671 -6.703 -4.309 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.915 -7.309 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.553 -3.799 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.293 -3.502 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.147 -6.918 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.755 -5.259 -4.183 1.00 0.00 H new ATOM 764 N TYR A 53 -10.342 -4.452 0.067 1.00 0.00 N ATOM 765 CA TYR A 53 -9.065 -3.775 0.262 1.00 0.00 C ATOM 766 C TYR A 53 -9.064 -2.977 1.562 1.00 0.00 C ATOM 767 O TYR A 53 -9.596 -1.868 1.622 1.00 0.00 O ATOM 768 CB TYR A 53 -8.770 -2.849 -0.919 1.00 0.00 C ATOM 769 CG TYR A 53 -8.514 -3.583 -2.215 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.422 -4.431 -2.352 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.364 -3.429 -3.304 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.183 -5.104 -3.535 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.135 -4.099 -4.490 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.043 -4.935 -4.601 1.00 0.00 C ATOM 775 OH TYR A 53 -7.810 -5.603 -5.781 1.00 0.00 O ATOM 0 H TYR A 53 -11.132 -3.826 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.285 -4.534 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.611 -2.170 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.901 -2.236 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.748 -4.567 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.219 -2.774 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.328 -5.758 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.807 -3.969 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.430 -5.280 -6.468 1.00 0.00 H new ATOM 785 N ILE A 54 -8.464 -3.549 2.600 1.00 0.00 N ATOM 786 CA ILE A 54 -8.392 -2.891 3.898 1.00 0.00 C ATOM 787 C ILE A 54 -7.265 -1.864 3.933 1.00 0.00 C ATOM 788 O ILE A 54 -6.104 -2.207 4.157 1.00 0.00 O ATOM 789 CB ILE A 54 -8.178 -3.908 5.034 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.355 -4.883 5.104 1.00 0.00 C ATOM 791 CG2 ILE A 54 -8.000 -3.189 6.363 1.00 0.00 C ATOM 792 CD1 ILE A 54 -9.030 -6.173 5.823 1.00 0.00 C ATOM 0 H ILE A 54 -8.021 -4.467 2.567 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.346 -2.386 4.048 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.271 -4.476 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.190 -4.396 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.685 -5.114 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.850 -3.922 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.133 -2.531 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.890 -2.598 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.911 -6.815 5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.216 -6.682 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.729 -5.953 6.847 1.00 0.00 H new ATOM 804 N LEU A 55 -7.616 -0.602 3.711 1.00 0.00 N ATOM 805 CA LEU A 55 -6.634 0.478 3.718 1.00 0.00 C ATOM 806 C LEU A 55 -6.530 1.110 5.102 1.00 0.00 C ATOM 807 O LEU A 55 -7.482 1.081 5.882 1.00 0.00 O ATOM 808 CB LEU A 55 -7.011 1.542 2.686 1.00 0.00 C ATOM 809 CG LEU A 55 -7.426 1.025 1.308 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.344 2.136 0.273 1.00 0.00 C ATOM 811 CD2 LEU A 55 -6.557 -0.155 0.897 1.00 0.00 C ATOM 0 H LEU A 55 -8.572 -0.301 3.524 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.663 0.056 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.830 2.137 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.162 2.213 2.559 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.460 0.686 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.643 1.749 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.010 2.950 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.320 2.507 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.867 -0.510 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.514 0.158 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.668 -0.959 1.624 1.00 0.00 H new ATOM 823 N ARG A 56 -5.368 1.681 5.399 1.00 0.00 N ATOM 824 CA ARG A 56 -5.139 2.322 6.689 1.00 0.00 C ATOM 825 C ARG A 56 -4.227 3.535 6.540 1.00 0.00 C ATOM 826 O ARG A 56 -3.384 3.583 5.644 1.00 0.00 O ATOM 827 CB ARG A 56 -4.524 1.326 7.675 1.00 0.00 C ATOM 828 CG ARG A 56 -5.519 0.311 8.215 1.00 0.00 C ATOM 829 CD ARG A 56 -4.954 -0.439 9.412 1.00 0.00 C ATOM 830 NE ARG A 56 -6.008 -0.998 10.254 1.00 0.00 N ATOM 831 CZ ARG A 56 -5.785 -1.886 11.217 1.00 0.00 C ATOM 832 NH1 ARG A 56 -4.553 -2.312 11.458 1.00 0.00 N ATOM 833 NH2 ARG A 56 -6.796 -2.349 11.941 1.00 0.00 N ATOM 0 H ARG A 56 -4.570 1.713 4.764 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.101 2.659 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.709 0.796 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.089 1.875 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.439 0.819 8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.780 -0.398 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.304 -1.242 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.336 0.236 10.004 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.967 -0.690 10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.773 -1.958 10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.385 -2.994 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.745 -2.023 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.624 -3.031 12.680 1.00 0.00 H new ATOM 847 N GLN A 57 -4.402 4.513 7.422 1.00 0.00 N ATOM 848 CA GLN A 57 -3.595 5.727 7.387 1.00 0.00 C ATOM 849 C GLN A 57 -3.508 6.363 8.771 1.00 0.00 C ATOM 850 O GLN A 57 -4.525 6.719 9.365 1.00 0.00 O ATOM 851 CB GLN A 57 -4.183 6.727 6.389 1.00 0.00 C ATOM 852 CG GLN A 57 -3.225 7.846 6.013 1.00 0.00 C ATOM 853 CD GLN A 57 -3.842 8.845 5.055 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.062 8.898 4.896 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.001 9.646 4.411 1.00 0.00 N ATOM 0 H GLN A 57 -5.095 4.489 8.170 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.589 5.455 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.479 6.194 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.088 7.162 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.906 8.365 6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.332 7.417 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.997 9.568 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.359 10.340 3.754 1.00 0.00 H new ATOM 864 N GLU A 58 -2.286 6.503 9.276 1.00 0.00 N ATOM 865 CA GLU A 58 -2.068 7.096 10.591 1.00 0.00 C ATOM 866 C GLU A 58 -1.255 8.382 10.479 1.00 0.00 C ATOM 867 O GLU A 58 -0.605 8.803 11.435 1.00 0.00 O ATOM 868 CB GLU A 58 -1.350 6.104 11.509 1.00 0.00 C ATOM 869 CG GLU A 58 -2.129 4.821 11.746 1.00 0.00 C ATOM 870 CD GLU A 58 -1.821 3.752 10.715 1.00 0.00 C ATOM 871 OE1 GLU A 58 -0.656 3.306 10.652 1.00 0.00 O ATOM 872 OE2 GLU A 58 -2.745 3.363 9.971 1.00 0.00 O ATOM 0 H GLU A 58 -1.434 6.215 8.796 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.041 7.338 11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.381 5.856 11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.156 6.584 12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.898 4.439 12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.197 5.040 11.729 1.00 0.00 H new ATOM 879 N GLY A 59 -1.297 9.002 9.304 1.00 0.00 N ATOM 880 CA GLY A 59 -0.560 10.234 9.088 1.00 0.00 C ATOM 881 C GLY A 59 0.112 10.277 7.730 1.00 0.00 C ATOM 882 O GLY A 59 -0.559 10.291 6.696 1.00 0.00 O ATOM 0 H GLY A 59 -1.828 8.673 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.239 11.081 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.194 10.344 9.867 1.00 0.00 H new ATOM 886 N THR A 60 1.441 10.299 7.729 1.00 0.00 N ATOM 887 CA THR A 60 2.204 10.344 6.488 1.00 0.00 C ATOM 888 C THR A 60 2.515 8.940 5.983 1.00 0.00 C ATOM 889 O THR A 60 3.470 8.737 5.233 1.00 0.00 O ATOM 890 CB THR A 60 3.525 11.116 6.668 1.00 0.00 C ATOM 891 OG1 THR A 60 4.088 10.830 7.953 1.00 0.00 O ATOM 892 CG2 THR A 60 3.298 12.614 6.531 1.00 0.00 C ATOM 0 H THR A 60 2.012 10.286 8.574 1.00 0.00 H new ATOM 0 HA THR A 60 1.585 10.863 5.756 1.00 0.00 H new ATOM 0 HB THR A 60 4.217 10.796 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.928 11.323 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.244 13.139 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.896 12.832 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.591 12.946 7.291 1.00 0.00 H new ATOM 900 N ARG A 61 1.702 7.974 6.397 1.00 0.00 N ATOM 901 CA ARG A 61 1.890 6.588 5.986 1.00 0.00 C ATOM 902 C ARG A 61 0.554 5.936 5.642 1.00 0.00 C ATOM 903 O ARG A 61 -0.430 6.095 6.365 1.00 0.00 O ATOM 904 CB ARG A 61 2.587 5.795 7.093 1.00 0.00 C ATOM 905 CG ARG A 61 2.964 4.380 6.685 1.00 0.00 C ATOM 906 CD ARG A 61 3.368 3.543 7.888 1.00 0.00 C ATOM 907 NE ARG A 61 3.200 2.113 7.641 1.00 0.00 N ATOM 908 CZ ARG A 61 3.269 1.190 8.594 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.501 1.544 9.850 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.104 -0.091 8.290 1.00 0.00 N ATOM 0 H ARG A 61 0.906 8.126 7.017 1.00 0.00 H new ATOM 0 HA ARG A 61 2.517 6.582 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.488 6.328 7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.933 5.751 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.121 3.909 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.786 4.413 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.409 3.748 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.769 3.835 8.750 1.00 0.00 H new ATOM 0 HE ARG A 61 3.020 1.807 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.627 2.528 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.553 0.833 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.924 -0.367 7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.157 -0.800 9.022 1.00 0.00 H new ATOM 924 N CYS A 62 0.528 5.202 4.535 1.00 0.00 N ATOM 925 CA CYS A 62 -0.688 4.527 4.094 1.00 0.00 C ATOM 926 C CYS A 62 -0.442 3.033 3.906 1.00 0.00 C ATOM 927 O CYS A 62 0.360 2.628 3.065 1.00 0.00 O ATOM 928 CB CYS A 62 -1.193 5.142 2.788 1.00 0.00 C ATOM 929 SG CYS A 62 -1.652 6.885 2.922 1.00 0.00 S ATOM 0 H CYS A 62 1.334 5.059 3.927 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.447 4.658 4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.419 5.039 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.058 4.575 2.442 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.908 6.979 3.243 1.00 0.00 H new ATOM 935 N GLU A 63 -1.137 2.220 4.695 1.00 0.00 N ATOM 936 CA GLU A 63 -0.992 0.771 4.616 1.00 0.00 C ATOM 937 C GLU A 63 -2.129 0.154 3.807 1.00 0.00 C ATOM 938 O GLU A 63 -3.273 0.605 3.878 1.00 0.00 O ATOM 939 CB GLU A 63 -0.960 0.162 6.019 1.00 0.00 C ATOM 940 CG GLU A 63 0.224 0.621 6.855 1.00 0.00 C ATOM 941 CD GLU A 63 -0.072 1.882 7.643 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.979 2.637 7.235 1.00 0.00 O ATOM 943 OE2 GLU A 63 0.603 2.114 8.668 1.00 0.00 O ATOM 0 H GLU A 63 -1.806 2.540 5.396 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.051 0.553 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.883 0.420 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.935 -0.924 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.508 -0.175 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.079 0.797 6.202 1.00 0.00 H new ATOM 950 N LEU A 64 -1.806 -0.881 3.039 1.00 0.00 N ATOM 951 CA LEU A 64 -2.800 -1.561 2.215 1.00 0.00 C ATOM 952 C LEU A 64 -2.794 -3.063 2.484 1.00 0.00 C ATOM 953 O LEU A 64 -1.735 -3.687 2.549 1.00 0.00 O ATOM 954 CB LEU A 64 -2.531 -1.296 0.733 1.00 0.00 C ATOM 955 CG LEU A 64 -3.041 -2.357 -0.242 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.555 -2.285 -0.366 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.384 -2.190 -1.605 1.00 0.00 C ATOM 0 H LEU A 64 -0.865 -1.267 2.970 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.783 -1.167 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.983 -0.340 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.455 -1.190 0.593 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.775 -3.339 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.900 -3.048 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.009 -2.455 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.844 -1.300 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.759 -2.954 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.618 -1.203 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.304 -2.294 -1.503 1.00 0.00 H new ATOM 969 N GLN A 65 -3.983 -3.636 2.638 1.00 0.00 N ATOM 970 CA GLN A 65 -4.114 -5.064 2.899 1.00 0.00 C ATOM 971 C GLN A 65 -5.023 -5.724 1.867 1.00 0.00 C ATOM 972 O GLN A 65 -6.206 -5.398 1.769 1.00 0.00 O ATOM 973 CB GLN A 65 -4.665 -5.299 4.306 1.00 0.00 C ATOM 974 CG GLN A 65 -3.585 -5.438 5.367 1.00 0.00 C ATOM 975 CD GLN A 65 -4.071 -5.047 6.749 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.597 -3.951 6.948 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.898 -5.943 7.713 1.00 0.00 N ATOM 0 H GLN A 65 -4.869 -3.133 2.587 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.124 -5.514 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.321 -4.470 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.277 -6.201 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.232 -6.469 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.732 -4.815 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.457 -6.839 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.206 -5.736 8.663 1.00 0.00 H new ATOM 986 N ILE A 66 -4.463 -6.654 1.101 1.00 0.00 N ATOM 987 CA ILE A 66 -5.223 -7.360 0.077 1.00 0.00 C ATOM 988 C ILE A 66 -5.788 -8.670 0.617 1.00 0.00 C ATOM 989 O ILE A 66 -5.117 -9.702 0.595 1.00 0.00 O ATOM 990 CB ILE A 66 -4.358 -7.659 -1.161 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.712 -6.373 -1.681 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.198 -8.313 -2.248 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.397 -6.603 -2.393 1.00 0.00 C ATOM 0 H ILE A 66 -3.485 -6.936 1.170 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.044 -6.705 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.566 -8.351 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.404 -5.879 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.549 -5.694 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.573 -8.518 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.616 -9.247 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.008 -7.643 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.996 -5.649 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.689 -7.069 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.557 -7.257 -3.250 1.00 0.00 H new ATOM 1005 N CYS A 67 -7.024 -8.620 1.101 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.680 -9.803 1.646 1.00 0.00 C ATOM 1007 C CYS A 67 -7.881 -10.860 0.565 1.00 0.00 C ATOM 1008 O CYS A 67 -8.574 -10.626 -0.425 1.00 0.00 O ATOM 1009 CB CYS A 67 -9.027 -9.426 2.265 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.606 -10.579 3.531 1.00 0.00 S ATOM 0 H CYS A 67 -7.592 -7.773 1.127 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.037 -10.220 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.947 -8.431 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.774 -9.367 1.474 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.751 -10.174 3.996 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.270 -12.024 0.761 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.393 -13.099 -0.207 1.00 0.00 C ATOM 1018 C GLY A 68 -6.338 -13.025 -1.293 1.00 0.00 C ATOM 1019 O GLY A 68 -6.630 -12.643 -2.427 1.00 0.00 O ATOM 0 H GLY A 68 -6.692 -12.242 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.314 -14.057 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.382 -13.062 -0.663 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.109 -13.389 -0.947 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.005 -13.361 -1.901 1.00 0.00 C ATOM 1025 C LEU A 69 -4.064 -14.564 -2.837 1.00 0.00 C ATOM 1026 O LEU A 69 -4.658 -15.590 -2.508 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.666 -13.340 -1.162 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.254 -11.997 -0.558 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -1.091 -12.179 0.405 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.891 -11.008 -1.656 1.00 0.00 C ATOM 0 H LEU A 69 -4.851 -13.707 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.097 -12.454 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.704 -14.079 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.887 -13.659 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.100 -11.596 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.812 -11.213 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.387 -12.852 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.240 -12.603 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.600 -10.058 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.060 -11.403 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.752 -10.854 -2.306 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.441 -14.431 -4.003 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.418 -15.509 -4.984 1.00 0.00 C ATOM 1044 C ALA A 70 -2.437 -15.204 -6.111 1.00 0.00 C ATOM 1045 O ALA A 70 -2.096 -14.047 -6.354 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.813 -15.741 -5.545 1.00 0.00 C ATOM 0 H ALA A 70 -2.945 -13.587 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.084 -16.417 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.781 -16.549 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.491 -16.011 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.168 -14.830 -6.026 1.00 0.00 H new ATOM 1052 N MET A 71 -1.986 -16.250 -6.796 1.00 0.00 N ATOM 1053 CA MET A 71 -1.043 -16.094 -7.898 1.00 0.00 C ATOM 1054 C MET A 71 -1.339 -14.824 -8.689 1.00 0.00 C ATOM 1055 O MET A 71 -0.425 -14.100 -9.083 1.00 0.00 O ATOM 1056 CB MET A 71 -1.101 -17.311 -8.823 1.00 0.00 C ATOM 1057 CG MET A 71 -0.785 -18.622 -8.123 1.00 0.00 C ATOM 1058 SD MET A 71 0.980 -18.988 -8.097 1.00 0.00 S ATOM 1059 CE MET A 71 1.479 -18.143 -6.598 1.00 0.00 C ATOM 0 H MET A 71 -2.258 -17.215 -6.607 1.00 0.00 H new ATOM 0 HA MET A 71 -0.040 -16.014 -7.478 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.096 -17.375 -9.264 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.397 -17.168 -9.643 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.159 -18.582 -7.100 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.313 -19.433 -8.624 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.157 -17.328 -6.849 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.599 -17.741 -6.096 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.985 -18.845 -5.936 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.621 -14.560 -8.918 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.036 -13.376 -9.661 1.00 0.00 C ATOM 1071 C ALA A 72 -2.595 -12.100 -8.952 1.00 0.00 C ATOM 1072 O ALA A 72 -1.987 -11.220 -9.560 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.545 -13.379 -9.858 1.00 0.00 C ATOM 0 H ALA A 72 -3.390 -15.150 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.553 -13.402 -10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.841 -12.490 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.837 -14.269 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.039 -13.380 -8.886 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.907 -12.007 -7.664 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.542 -10.838 -6.872 1.00 0.00 C ATOM 1081 C ASP A 73 -1.137 -10.360 -7.223 1.00 0.00 C ATOM 1082 O ASP A 73 -0.877 -9.159 -7.290 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.627 -11.160 -5.380 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.029 -11.544 -4.949 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.507 -12.616 -5.374 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.648 -10.773 -4.186 1.00 0.00 O ATOM 0 H ASP A 73 -3.412 -12.727 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.246 -10.039 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.943 -11.976 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.298 -10.294 -4.805 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.233 -11.309 -7.446 1.00 0.00 N ATOM 1092 CA ALA A 74 1.145 -10.986 -7.791 1.00 0.00 C ATOM 1093 C ALA A 74 1.213 -10.178 -9.083 1.00 0.00 C ATOM 1094 O ALA A 74 0.838 -10.662 -10.150 1.00 0.00 O ATOM 1095 CB ALA A 74 1.970 -12.258 -7.919 1.00 0.00 C ATOM 0 H ALA A 74 -0.431 -12.308 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 74 1.560 -10.376 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.997 -12.001 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.958 -12.796 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.547 -12.889 -8.700 1.00 0.00 H new ATOM 1101 N GLY A 75 1.692 -8.942 -8.978 1.00 0.00 N ATOM 1102 CA GLY A 75 1.799 -8.086 -10.146 1.00 0.00 C ATOM 1103 C GLY A 75 2.525 -6.789 -9.849 1.00 0.00 C ATOM 1104 O GLY A 75 3.670 -6.801 -9.399 1.00 0.00 O ATOM 0 H GLY A 75 2.008 -8.518 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.325 -8.620 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.800 -7.862 -10.521 1.00 0.00 H new ATOM 1108 N GLU A 76 1.857 -5.668 -10.103 1.00 0.00 N ATOM 1109 CA GLU A 76 2.448 -4.357 -9.863 1.00 0.00 C ATOM 1110 C GLU A 76 1.405 -3.380 -9.328 1.00 0.00 C ATOM 1111 O GLU A 76 0.505 -2.956 -10.054 1.00 0.00 O ATOM 1112 CB GLU A 76 3.065 -3.807 -11.151 1.00 0.00 C ATOM 1113 CG GLU A 76 3.295 -2.305 -11.122 1.00 0.00 C ATOM 1114 CD GLU A 76 3.969 -1.794 -12.381 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.152 -2.127 -12.598 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.311 -1.061 -13.149 1.00 0.00 O ATOM 0 H GLU A 76 0.907 -5.642 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 76 3.231 -4.472 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.016 -4.308 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.412 -4.050 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.339 -1.797 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.909 -2.052 -10.257 1.00 0.00 H new ATOM 1123 N TYR A 77 1.533 -3.027 -8.054 1.00 0.00 N ATOM 1124 CA TYR A 77 0.600 -2.102 -7.419 1.00 0.00 C ATOM 1125 C TYR A 77 1.131 -0.673 -7.470 1.00 0.00 C ATOM 1126 O TYR A 77 2.328 -0.436 -7.304 1.00 0.00 O ATOM 1127 CB TYR A 77 0.350 -2.514 -5.968 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.372 -3.835 -5.829 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.273 -5.034 -6.108 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.699 -3.885 -5.419 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.383 -6.243 -5.983 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.362 -5.090 -5.290 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.700 -6.266 -5.574 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.357 -7.468 -5.448 1.00 0.00 O ATOM 0 H TYR A 77 2.273 -3.367 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.341 -2.140 -7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.305 -2.575 -5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.233 -1.737 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.304 -5.020 -6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.221 -2.966 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.133 -7.166 -6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.393 -5.111 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.950 -8.128 -6.047 1.00 0.00 H new ATOM 1144 N LEU A 78 0.231 0.277 -7.701 1.00 0.00 N ATOM 1145 CA LEU A 78 0.607 1.685 -7.774 1.00 0.00 C ATOM 1146 C LEU A 78 -0.209 2.517 -6.789 1.00 0.00 C ATOM 1147 O LEU A 78 -1.413 2.308 -6.633 1.00 0.00 O ATOM 1148 CB LEU A 78 0.407 2.214 -9.195 1.00 0.00 C ATOM 1149 CG LEU A 78 1.337 1.637 -10.263 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.740 0.375 -10.865 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.610 2.670 -11.346 1.00 0.00 C ATOM 0 H LEU A 78 -0.763 0.098 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 78 1.661 1.769 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.623 2.016 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.532 3.297 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 78 2.284 1.376 -9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.416 -0.021 -11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.597 -0.369 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.221 0.610 -11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.273 2.242 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.671 2.962 -11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.082 3.547 -10.902 1.00 0.00 H new ATOM 1163 N CYS A 79 0.453 3.462 -6.131 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.211 4.327 -5.162 1.00 0.00 C ATOM 1165 C CYS A 79 -0.126 5.789 -5.592 1.00 0.00 C ATOM 1166 O CYS A 79 0.954 6.378 -5.616 1.00 0.00 O ATOM 1167 CB CYS A 79 0.415 4.153 -3.778 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.705 4.530 -2.409 1.00 0.00 S ATOM 0 H CYS A 79 1.449 3.649 -6.251 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.262 4.040 -5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.764 3.126 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.292 4.796 -3.704 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.018 4.682 -1.316 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.274 6.368 -5.931 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.330 7.760 -6.360 1.00 0.00 C ATOM 1176 C VAL A 80 -1.672 8.681 -5.194 1.00 0.00 C ATOM 1177 O VAL A 80 -2.542 8.371 -4.380 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.367 7.961 -7.480 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.215 9.337 -8.109 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.235 6.868 -8.530 1.00 0.00 C ATOM 0 H VAL A 80 -2.177 5.894 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.341 8.014 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.364 7.896 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.957 9.460 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.364 10.103 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.215 9.435 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.976 7.025 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.235 6.899 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.399 5.896 -8.066 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.983 9.814 -5.121 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.214 10.782 -4.054 1.00 0.00 C ATOM 1192 C CYS A 81 -0.381 12.041 -4.272 1.00 0.00 C ATOM 1193 O CYS A 81 0.694 11.991 -4.868 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.879 10.164 -2.696 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.893 11.343 -1.325 1.00 0.00 S ATOM 0 H CYS A 81 -0.260 10.085 -5.787 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.268 11.058 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -1.594 9.369 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.106 9.701 -2.753 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.924 11.115 -0.567 1.00 0.00 H new ATOM 1201 N GLY A 82 -0.888 13.171 -3.787 1.00 0.00 N ATOM 1202 CA GLY A 82 -0.179 14.428 -3.941 1.00 0.00 C ATOM 1203 C GLY A 82 0.424 14.588 -5.323 1.00 0.00 C ATOM 1204 O GLY A 82 1.644 14.565 -5.480 1.00 0.00 O ATOM 0 H GLY A 82 -1.777 13.238 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.864 15.254 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.612 14.489 -3.193 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.433 14.748 -6.326 1.00 0.00 N ATOM 1209 CA GLN A 83 0.024 14.910 -7.701 1.00 0.00 C ATOM 1210 C GLN A 83 1.214 14.001 -7.991 1.00 0.00 C ATOM 1211 O GLN A 83 2.030 14.291 -8.864 1.00 0.00 O ATOM 1212 CB GLN A 83 0.405 16.368 -7.966 1.00 0.00 C ATOM 1213 CG GLN A 83 0.184 16.802 -9.407 1.00 0.00 C ATOM 1214 CD GLN A 83 0.984 18.037 -9.772 1.00 0.00 C ATOM 1215 OE1 GLN A 83 2.178 17.955 -10.060 1.00 0.00 O ATOM 1216 NE2 GLN A 83 0.327 19.191 -9.764 1.00 0.00 N ATOM 0 H GLN A 83 -1.446 14.769 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.794 14.629 -8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.177 17.013 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.454 16.513 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.458 15.985 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.876 17.000 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.663 19.213 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.812 20.056 -10.003 1.00 0.00 H new ATOM 1225 N GLU A 84 1.305 12.900 -7.250 1.00 0.00 N ATOM 1226 CA GLU A 84 2.396 11.950 -7.428 1.00 0.00 C ATOM 1227 C GLU A 84 1.866 10.520 -7.501 1.00 0.00 C ATOM 1228 O GLU A 84 0.664 10.286 -7.376 1.00 0.00 O ATOM 1229 CB GLU A 84 3.402 12.074 -6.281 1.00 0.00 C ATOM 1230 CG GLU A 84 4.352 13.250 -6.430 1.00 0.00 C ATOM 1231 CD GLU A 84 5.552 12.923 -7.298 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.421 12.151 -6.841 1.00 0.00 O ATOM 1233 OE2 GLU A 84 5.623 13.439 -8.432 1.00 0.00 O ATOM 0 H GLU A 84 0.637 12.645 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 84 2.896 12.183 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.859 12.173 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.983 11.154 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.815 14.094 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.696 13.562 -5.444 1.00 0.00 H new ATOM 1240 N ARG A 85 2.772 9.569 -7.705 1.00 0.00 N ATOM 1241 CA ARG A 85 2.396 8.164 -7.797 1.00 0.00 C ATOM 1242 C ARG A 85 3.633 7.270 -7.811 1.00 0.00 C ATOM 1243 O ARG A 85 4.650 7.608 -8.419 1.00 0.00 O ATOM 1244 CB ARG A 85 1.562 7.918 -9.055 1.00 0.00 C ATOM 1245 CG ARG A 85 2.313 8.194 -10.347 1.00 0.00 C ATOM 1246 CD ARG A 85 1.698 7.445 -11.519 1.00 0.00 C ATOM 1247 NE ARG A 85 2.074 8.033 -12.802 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.698 7.538 -13.976 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.940 6.451 -14.029 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.081 8.129 -15.100 1.00 0.00 N ATOM 0 H ARG A 85 3.771 9.746 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 85 1.799 7.916 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.220 6.883 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.673 8.547 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.304 9.264 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.356 7.900 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.016 6.403 -11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.612 7.449 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 85 2.657 8.870 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.644 5.993 -13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.653 6.073 -14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.665 8.965 -15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.792 7.748 -16.001 1.00 0.00 H new ATOM 1264 N THR A 86 3.540 6.128 -7.137 1.00 0.00 N ATOM 1265 CA THR A 86 4.651 5.187 -7.071 1.00 0.00 C ATOM 1266 C THR A 86 4.199 3.776 -7.430 1.00 0.00 C ATOM 1267 O THR A 86 3.097 3.358 -7.074 1.00 0.00 O ATOM 1268 CB THR A 86 5.289 5.169 -5.669 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.310 4.167 -5.608 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.240 4.896 -4.601 1.00 0.00 C ATOM 0 H THR A 86 2.706 5.832 -6.629 1.00 0.00 H new ATOM 0 HA THR A 86 5.393 5.523 -7.795 1.00 0.00 H new ATOM 0 HB THR A 86 5.730 6.148 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.074 4.509 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.714 4.888 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.479 5.676 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.775 3.928 -4.787 1.00 0.00 H new ATOM 1278 N SER A 87 5.056 3.047 -8.136 1.00 0.00 N ATOM 1279 CA SER A 87 4.743 1.683 -8.546 1.00 0.00 C ATOM 1280 C SER A 87 5.705 0.688 -7.904 1.00 0.00 C ATOM 1281 O SER A 87 6.871 1.001 -7.665 1.00 0.00 O ATOM 1282 CB SER A 87 4.805 1.559 -10.070 1.00 0.00 C ATOM 1283 OG SER A 87 6.137 1.683 -10.538 1.00 0.00 O ATOM 0 H SER A 87 5.973 3.378 -8.436 1.00 0.00 H new ATOM 0 HA SER A 87 3.732 1.452 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.397 0.596 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.183 2.329 -10.526 1.00 0.00 H new ATOM 0 HG SER A 87 6.150 1.598 -11.514 1.00 0.00 H new ATOM 1289 N ALA A 88 5.207 -0.513 -7.627 1.00 0.00 N ATOM 1290 CA ALA A 88 6.021 -1.555 -7.015 1.00 0.00 C ATOM 1291 C ALA A 88 5.716 -2.919 -7.624 1.00 0.00 C ATOM 1292 O ALA A 88 4.899 -3.034 -8.538 1.00 0.00 O ATOM 1293 CB ALA A 88 5.797 -1.584 -5.510 1.00 0.00 C ATOM 0 H ALA A 88 4.243 -0.788 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 88 7.068 -1.325 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.411 -2.367 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.073 -0.620 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.746 -1.786 -5.302 1.00 0.00 H new ATOM 1299 N THR A 89 6.377 -3.952 -7.111 1.00 0.00 N ATOM 1300 CA THR A 89 6.177 -5.309 -7.605 1.00 0.00 C ATOM 1301 C THR A 89 5.919 -6.280 -6.458 1.00 0.00 C ATOM 1302 O THR A 89 6.773 -6.474 -5.592 1.00 0.00 O ATOM 1303 CB THR A 89 7.395 -5.798 -8.412 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.827 -4.774 -9.315 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.056 -7.059 -9.192 1.00 0.00 C ATOM 0 H THR A 89 7.056 -3.875 -6.353 1.00 0.00 H new ATOM 0 HA THR A 89 5.304 -5.282 -8.258 1.00 0.00 H new ATOM 0 HB THR A 89 8.199 -6.028 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.602 -5.092 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.931 -7.385 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.755 -7.845 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.238 -6.851 -9.882 1.00 0.00 H new ATOM 1313 N LEU A 90 4.738 -6.887 -6.459 1.00 0.00 N ATOM 1314 CA LEU A 90 4.367 -7.840 -5.417 1.00 0.00 C ATOM 1315 C LEU A 90 4.642 -9.271 -5.867 1.00 0.00 C ATOM 1316 O LEU A 90 4.558 -9.589 -7.054 1.00 0.00 O ATOM 1317 CB LEU A 90 2.889 -7.681 -5.056 1.00 0.00 C ATOM 1318 CG LEU A 90 2.365 -8.603 -3.955 1.00 0.00 C ATOM 1319 CD1 LEU A 90 2.995 -8.249 -2.617 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.848 -8.523 -3.870 1.00 0.00 C ATOM 0 H LEU A 90 4.021 -6.737 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 90 4.974 -7.633 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.719 -6.649 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.296 -7.848 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 90 2.642 -9.628 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.610 -8.916 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.077 -8.359 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.750 -7.218 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.492 -9.186 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.550 -7.499 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.414 -8.827 -4.822 1.00 0.00 H new ATOM 1332 N THR A 91 4.968 -10.134 -4.909 1.00 0.00 N ATOM 1333 CA THR A 91 5.254 -11.532 -5.205 1.00 0.00 C ATOM 1334 C THR A 91 4.401 -12.461 -4.349 1.00 0.00 C ATOM 1335 O THR A 91 4.245 -12.242 -3.147 1.00 0.00 O ATOM 1336 CB THR A 91 6.741 -11.862 -4.977 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.539 -11.270 -6.008 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.965 -13.367 -4.956 1.00 0.00 C ATOM 0 H THR A 91 5.040 -9.889 -3.922 1.00 0.00 H new ATOM 0 HA THR A 91 5.013 -11.688 -6.256 1.00 0.00 H new ATOM 0 HB THR A 91 7.036 -11.453 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.483 -11.483 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.023 -13.575 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.380 -13.811 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.653 -13.795 -5.909 1.00 0.00 H new ATOM 1346 N ILE A 92 3.854 -13.498 -4.973 1.00 0.00 N ATOM 1347 CA ILE A 92 3.018 -14.461 -4.267 1.00 0.00 C ATOM 1348 C ILE A 92 3.712 -15.815 -4.158 1.00 0.00 C ATOM 1349 O ILE A 92 4.509 -16.186 -5.020 1.00 0.00 O ATOM 1350 CB ILE A 92 1.659 -14.647 -4.966 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.910 -13.315 -5.036 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.827 -15.691 -4.237 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.607 -12.720 -3.679 1.00 0.00 C ATOM 0 H ILE A 92 3.975 -13.693 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 92 2.850 -14.060 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 92 1.835 -14.997 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.503 -12.604 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.025 -13.461 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.131 -15.811 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.358 -16.643 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.657 -15.368 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.075 -11.777 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.012 -13.412 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.539 -12.541 -3.144 1.00 0.00 H new ATOM 1365 N ARG A 93 3.401 -16.549 -3.095 1.00 0.00 N ATOM 1366 CA ARG A 93 3.994 -17.862 -2.874 1.00 0.00 C ATOM 1367 C ARG A 93 2.915 -18.938 -2.788 1.00 0.00 C ATOM 1368 O ARG A 93 2.053 -18.898 -1.912 1.00 0.00 O ATOM 1369 CB ARG A 93 4.829 -17.860 -1.592 1.00 0.00 C ATOM 1370 CG ARG A 93 6.279 -17.461 -1.811 1.00 0.00 C ATOM 1371 CD ARG A 93 7.139 -18.661 -2.174 1.00 0.00 C ATOM 1372 NE ARG A 93 7.659 -19.340 -0.990 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.228 -20.540 -1.021 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.351 -21.189 -2.171 1.00 0.00 N ATOM 1375 NH2 ARG A 93 8.677 -21.092 0.099 1.00 0.00 N ATOM 0 H ARG A 93 2.742 -16.257 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 93 4.642 -18.087 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.377 -17.175 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.798 -18.854 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.337 -16.717 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.669 -16.993 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.551 -19.363 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.970 -18.335 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 93 7.581 -18.867 -0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.008 -20.767 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.788 -22.110 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.585 -20.595 0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.114 -22.013 0.074 1.00 0.00 H new ATOM 1389 N ALA A 94 2.970 -19.898 -3.706 1.00 0.00 N ATOM 1390 CA ALA A 94 1.999 -20.985 -3.733 1.00 0.00 C ATOM 1391 C ALA A 94 1.938 -21.700 -2.388 1.00 0.00 C ATOM 1392 O ALA A 94 2.928 -22.275 -1.933 1.00 0.00 O ATOM 1393 CB ALA A 94 2.341 -21.970 -4.842 1.00 0.00 C ATOM 0 H ALA A 94 3.676 -19.945 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 94 1.016 -20.557 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.608 -22.777 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.326 -21.456 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.334 -22.384 -4.667 1.00 0.00 H new ATOM 1399 N LEU A 95 0.770 -21.662 -1.756 1.00 0.00 N ATOM 1400 CA LEU A 95 0.580 -22.306 -0.461 1.00 0.00 C ATOM 1401 C LEU A 95 1.103 -23.739 -0.483 1.00 0.00 C ATOM 1402 O LEU A 95 1.249 -24.356 -1.539 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.901 -22.298 -0.078 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.416 -21.021 0.586 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.892 -20.818 0.282 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.181 -21.069 2.089 1.00 0.00 C ATOM 0 H LEU A 95 -0.059 -21.192 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 95 1.145 -21.744 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.489 -22.478 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.086 -23.134 0.596 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.863 -20.175 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.240 -19.904 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.034 -20.737 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.462 -21.667 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.554 -20.152 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.707 -21.925 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.114 -21.165 2.287 1.00 0.00 H new ATOM 1418 N PRO A 96 1.391 -24.283 0.708 1.00 0.00 N ATOM 1419 CA PRO A 96 1.899 -25.650 0.852 1.00 0.00 C ATOM 1420 C PRO A 96 0.845 -26.699 0.518 1.00 0.00 C ATOM 1421 O PRO A 96 1.094 -27.900 0.625 1.00 0.00 O ATOM 1422 CB PRO A 96 2.285 -25.731 2.331 1.00 0.00 C ATOM 1423 CG PRO A 96 1.425 -24.717 3.003 1.00 0.00 C ATOM 1424 CD PRO A 96 1.241 -23.605 2.007 1.00 0.00 C ATOM 0 HA PRO A 96 2.725 -25.851 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.108 -26.729 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.343 -25.512 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.465 -25.147 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.895 -24.350 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.262 -23.136 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.985 -22.820 2.139 1.00 0.00 H new ATOM 1432 N SER A 97 -0.334 -26.238 0.113 1.00 0.00 N ATOM 1433 CA SER A 97 -1.429 -27.138 -0.234 1.00 0.00 C ATOM 1434 C SER A 97 -2.029 -27.771 1.018 1.00 0.00 C ATOM 1435 O SER A 97 -2.148 -28.991 1.113 1.00 0.00 O ATOM 1436 CB SER A 97 -0.937 -28.230 -1.186 1.00 0.00 C ATOM 1437 OG SER A 97 0.107 -27.751 -2.015 1.00 0.00 O ATOM 0 H SER A 97 -0.556 -25.247 0.017 1.00 0.00 H new ATOM 0 HA SER A 97 -2.203 -26.554 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.585 -29.087 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.765 -28.579 -1.803 1.00 0.00 H new ATOM 0 HG SER A 97 0.405 -28.468 -2.613 1.00 0.00 H new ATOM 1443 N GLY A 98 -2.405 -26.930 1.977 1.00 0.00 N ATOM 1444 CA GLY A 98 -2.988 -27.424 3.210 1.00 0.00 C ATOM 1445 C GLY A 98 -2.026 -27.346 4.378 1.00 0.00 C ATOM 1446 O GLY A 98 -1.477 -28.353 4.827 1.00 0.00 O ATOM 0 H GLY A 98 -2.316 -25.915 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.883 -26.847 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.302 -28.458 3.071 1.00 0.00 H new ATOM 1450 N PRO A 99 -1.808 -26.125 4.890 1.00 0.00 N ATOM 1451 CA PRO A 99 -0.903 -25.890 6.019 1.00 0.00 C ATOM 1452 C PRO A 99 -1.453 -26.447 7.328 1.00 0.00 C ATOM 1453 O PRO A 99 -0.705 -26.680 8.277 1.00 0.00 O ATOM 1454 CB PRO A 99 -0.808 -24.364 6.086 1.00 0.00 C ATOM 1455 CG PRO A 99 -2.074 -23.878 5.469 1.00 0.00 C ATOM 1456 CD PRO A 99 -2.428 -24.881 4.405 1.00 0.00 C ATOM 0 HA PRO A 99 0.058 -26.385 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.711 -24.018 7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.063 -23.997 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -2.867 -23.802 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -1.943 -22.884 5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -3.507 -24.986 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -2.035 -24.589 3.431 1.00 0.00 H new ATOM 1464 N SER A 100 -2.765 -26.659 7.371 1.00 0.00 N ATOM 1465 CA SER A 100 -3.415 -27.186 8.565 1.00 0.00 C ATOM 1466 C SER A 100 -3.690 -28.680 8.419 1.00 0.00 C ATOM 1467 O SER A 100 -3.442 -29.268 7.367 1.00 0.00 O ATOM 1468 CB SER A 100 -4.723 -26.439 8.831 1.00 0.00 C ATOM 1469 OG SER A 100 -5.625 -26.588 7.749 1.00 0.00 O ATOM 0 H SER A 100 -3.398 -26.474 6.593 1.00 0.00 H new ATOM 0 HA SER A 100 -2.742 -27.039 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.181 -26.816 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.515 -25.381 8.992 1.00 0.00 H new ATOM 0 HG SER A 100 -6.454 -26.103 7.945 1.00 0.00 H new ATOM 1475 N SER A 101 -4.205 -29.287 9.484 1.00 0.00 N ATOM 1476 CA SER A 101 -4.511 -30.712 9.477 1.00 0.00 C ATOM 1477 C SER A 101 -5.719 -31.005 8.592 1.00 0.00 C ATOM 1478 O SER A 101 -5.637 -31.793 7.652 1.00 0.00 O ATOM 1479 CB SER A 101 -4.777 -31.205 10.901 1.00 0.00 C ATOM 1480 OG SER A 101 -3.598 -31.155 11.686 1.00 0.00 O ATOM 0 H SER A 101 -4.419 -28.814 10.362 1.00 0.00 H new ATOM 0 HA SER A 101 -3.649 -31.241 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.551 -30.592 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.155 -32.227 10.871 1.00 0.00 H new ATOM 0 HG SER A 101 -3.794 -31.473 12.592 1.00 0.00 H new ATOM 1486 N GLY A 102 -6.841 -30.362 8.902 1.00 0.00 N ATOM 1487 CA GLY A 102 -8.051 -30.566 8.126 1.00 0.00 C ATOM 1488 C GLY A 102 -9.308 -30.321 8.937 1.00 0.00 C ATOM 1489 O GLY A 102 -10.170 -31.194 9.037 1.00 0.00 O ATOM 0 H GLY A 102 -6.934 -29.704 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.043 -29.899 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.064 -31.585 7.740 1.00 0.00 H new TER 1493 GLY A 102