USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -44:sc= -0.417 USER MOD Set 1.2: A 83 CYS SG : rot -173:sc= -1 USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0441 (180deg=-0.363) USER MOD Single : A 15 GLN :FLIP amide:sc= -6.17! C(o=-8.5!,f=-6.2!) USER MOD Single : A 18 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 SER OG : rot 30:sc= 1.08 USER MOD Single : A 30 THR OG1 : rot -26:sc= 0.47 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 37 GLN : amide:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.187 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= 0.368 (180deg=-0.0168) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -6:sc= 1.05 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 5:sc= 0.091 USER MOD Single : A 71 GLN : amide:sc= -0.0606 K(o=-0.061,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 GLN :FLIP amide:sc= -1.74! C(o=-3.2!,f=-1.7!) USER MOD Single : A 81 TYR OH : rot -10:sc= 0.937 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 89 GLN :FLIP amide:sc= -5.48! C(o=-6.2!,f=-5.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 8.297 17.261 3.512 1.00 0.00 N ATOM 89 CA VAL A 9 8.117 16.184 2.546 1.00 0.00 C ATOM 90 C VAL A 9 8.552 14.844 3.129 1.00 0.00 C ATOM 91 O VAL A 9 9.691 14.687 3.569 1.00 0.00 O ATOM 92 CB VAL A 9 8.911 16.451 1.253 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.734 15.304 0.270 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.482 17.771 0.628 1.00 0.00 C ATOM 0 HA VAL A 9 7.054 16.146 2.309 1.00 0.00 H new ATOM 0 HB VAL A 9 9.969 16.521 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.302 15.511 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.094 14.379 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.678 15.198 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.053 17.944 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.419 17.732 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.666 18.583 1.331 1.00 0.00 H new ATOM 104 N VAL A 10 7.638 13.880 3.128 1.00 0.00 N ATOM 105 CA VAL A 10 7.927 12.551 3.655 1.00 0.00 C ATOM 106 C VAL A 10 8.435 11.623 2.558 1.00 0.00 C ATOM 107 O VAL A 10 9.350 10.829 2.775 1.00 0.00 O ATOM 108 CB VAL A 10 6.682 11.923 4.308 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.016 10.559 4.893 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.118 12.847 5.377 1.00 0.00 C ATOM 0 H VAL A 10 6.690 13.994 2.768 1.00 0.00 H new ATOM 0 HA VAL A 10 8.702 12.673 4.411 1.00 0.00 H new ATOM 0 HB VAL A 10 5.921 11.786 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.124 10.131 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.370 9.900 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.794 10.668 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.239 12.387 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.872 13.018 6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.838 13.799 4.925 1.00 0.00 H new ATOM 120 N PHE A 11 7.835 11.729 1.376 1.00 0.00 N ATOM 121 CA PHE A 11 8.226 10.898 0.243 1.00 0.00 C ATOM 122 C PHE A 11 8.863 11.743 -0.856 1.00 0.00 C ATOM 123 O PHE A 11 8.598 12.939 -0.966 1.00 0.00 O ATOM 124 CB PHE A 11 7.011 10.150 -0.311 1.00 0.00 C ATOM 125 CG PHE A 11 6.347 9.256 0.696 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.824 7.976 0.927 1.00 0.00 C ATOM 127 CD2 PHE A 11 5.244 9.695 1.411 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.215 7.150 1.854 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.631 8.874 2.339 1.00 0.00 C ATOM 130 CZ PHE A 11 5.117 7.600 2.559 1.00 0.00 C ATOM 0 H PHE A 11 7.077 12.382 1.178 1.00 0.00 H new ATOM 0 HA PHE A 11 8.962 10.173 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.284 10.875 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.322 9.551 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.682 7.619 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.859 10.690 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.598 6.155 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.773 9.228 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.638 6.956 3.282 1.00 0.00 H new ATOM 140 N ALA A 12 9.705 11.110 -1.667 1.00 0.00 N ATOM 141 CA ALA A 12 10.379 11.802 -2.759 1.00 0.00 C ATOM 142 C ALA A 12 9.403 12.674 -3.541 1.00 0.00 C ATOM 143 O ALA A 12 8.193 12.623 -3.320 1.00 0.00 O ATOM 144 CB ALA A 12 11.052 10.799 -3.683 1.00 0.00 C ATOM 0 H ALA A 12 9.936 10.120 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 12 11.142 12.452 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.551 11.329 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.786 10.222 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.302 10.126 -4.098 1.00 0.00 H new ATOM 150 N LYS A 13 9.937 13.475 -4.457 1.00 0.00 N ATOM 151 CA LYS A 13 9.114 14.360 -5.274 1.00 0.00 C ATOM 152 C LYS A 13 8.665 13.658 -6.552 1.00 0.00 C ATOM 153 O LYS A 13 7.653 14.025 -7.148 1.00 0.00 O ATOM 154 CB LYS A 13 9.889 15.632 -5.624 1.00 0.00 C ATOM 155 CG LYS A 13 11.312 15.371 -6.085 1.00 0.00 C ATOM 156 CD LYS A 13 12.288 15.389 -4.921 1.00 0.00 C ATOM 157 CE LYS A 13 12.847 16.784 -4.685 1.00 0.00 C ATOM 158 NZ LYS A 13 13.730 17.224 -5.800 1.00 0.00 N ATOM 0 H LYS A 13 10.937 13.530 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 13 8.229 14.628 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.355 16.168 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.913 16.284 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.361 14.405 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.603 16.125 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.787 15.039 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.106 14.697 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.025 17.490 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.408 16.797 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.381 17.960 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.278 16.412 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.149 17.608 -6.572 1.00 0.00 H new ATOM 172 N GLU A 14 9.423 12.647 -6.964 1.00 0.00 N ATOM 173 CA GLU A 14 9.101 11.894 -8.171 1.00 0.00 C ATOM 174 C GLU A 14 8.297 10.642 -7.833 1.00 0.00 C ATOM 175 O GLU A 14 8.460 9.599 -8.466 1.00 0.00 O ATOM 176 CB GLU A 14 10.381 11.507 -8.915 1.00 0.00 C ATOM 177 CG GLU A 14 11.581 11.320 -8.002 1.00 0.00 C ATOM 178 CD GLU A 14 12.799 10.798 -8.740 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.629 9.939 -9.630 1.00 0.00 O ATOM 180 OE2 GLU A 14 13.921 11.249 -8.428 1.00 0.00 O ATOM 0 H GLU A 14 10.264 12.330 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 14 8.495 12.531 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.206 10.583 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.611 12.278 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.826 12.272 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.320 10.627 -7.203 1.00 0.00 H new ATOM 187 N GLN A 15 7.431 10.754 -6.831 1.00 0.00 N ATOM 188 CA GLN A 15 6.603 9.630 -6.408 1.00 0.00 C ATOM 189 C GLN A 15 5.273 9.623 -7.154 1.00 0.00 C ATOM 190 O GLN A 15 4.577 10.635 -7.242 1.00 0.00 O ATOM 191 CB GLN A 15 6.356 9.691 -4.900 1.00 0.00 C ATOM 192 CG GLN A 15 7.624 9.568 -4.070 1.00 0.00 C ATOM 193 CD GLN A 15 7.951 8.131 -3.714 1.00 0.00 C ATOM 194 OE1 GLN A 15 9.163 7.904 -3.222 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.123 7.235 -3.880 1.00 0.00 N flip ATOM 0 H GLN A 15 7.284 11.611 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 15 7.136 8.709 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.864 10.633 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.670 8.892 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.458 10.001 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.512 10.149 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.203 7.455 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.357 6.273 -3.636 1.00 0.00 H new ATOM 204 N PRO A 16 4.909 8.456 -7.704 1.00 0.00 N ATOM 205 CA PRO A 16 3.659 8.289 -8.452 1.00 0.00 C ATOM 206 C PRO A 16 2.431 8.359 -7.551 1.00 0.00 C ATOM 207 O PRO A 16 2.235 7.507 -6.685 1.00 0.00 O ATOM 208 CB PRO A 16 3.795 6.892 -9.063 1.00 0.00 C ATOM 209 CG PRO A 16 4.731 6.171 -8.155 1.00 0.00 C ATOM 210 CD PRO A 16 5.689 7.209 -7.639 1.00 0.00 C ATOM 0 HA PRO A 16 3.516 9.079 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.830 6.388 -9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.187 6.941 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.192 5.696 -7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.261 5.381 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.010 6.989 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.589 7.265 -8.252 1.00 0.00 H new ATOM 218 N ALA A 17 1.606 9.379 -7.762 1.00 0.00 N ATOM 219 CA ALA A 17 0.395 9.559 -6.970 1.00 0.00 C ATOM 220 C ALA A 17 -0.276 8.220 -6.682 1.00 0.00 C ATOM 221 O ALA A 17 -0.869 8.027 -5.620 1.00 0.00 O ATOM 222 CB ALA A 17 -0.571 10.492 -7.686 1.00 0.00 C ATOM 0 H ALA A 17 1.754 10.094 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 17 0.677 10.008 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.470 10.617 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.097 11.462 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.839 10.066 -8.653 1.00 0.00 H new ATOM 228 N HIS A 18 -0.179 7.298 -7.634 1.00 0.00 N ATOM 229 CA HIS A 18 -0.777 5.976 -7.481 1.00 0.00 C ATOM 230 C HIS A 18 -0.185 4.993 -8.487 1.00 0.00 C ATOM 231 O HIS A 18 -0.309 5.178 -9.698 1.00 0.00 O ATOM 232 CB HIS A 18 -2.293 6.055 -7.660 1.00 0.00 C ATOM 233 CG HIS A 18 -2.913 4.766 -8.105 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.344 3.534 -7.860 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.059 4.522 -8.781 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.113 2.588 -8.369 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.161 3.161 -8.933 1.00 0.00 N ATOM 0 H HIS A 18 0.307 7.441 -8.519 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.556 5.618 -6.475 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.746 6.360 -6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.524 6.831 -8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.763 5.260 -9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.918 1.526 -8.330 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.922 2.672 -9.405 1.00 0.00 H new ATOM 246 N ARG A 19 0.458 3.947 -7.977 1.00 0.00 N ATOM 247 CA ARG A 19 1.070 2.936 -8.830 1.00 0.00 C ATOM 248 C ARG A 19 0.224 1.667 -8.863 1.00 0.00 C ATOM 249 O ARG A 19 -0.453 1.336 -7.889 1.00 0.00 O ATOM 250 CB ARG A 19 2.481 2.609 -8.337 1.00 0.00 C ATOM 251 CG ARG A 19 3.336 1.892 -9.369 1.00 0.00 C ATOM 252 CD ARG A 19 4.732 1.611 -8.838 1.00 0.00 C ATOM 253 NE ARG A 19 5.546 0.874 -9.800 1.00 0.00 N ATOM 254 CZ ARG A 19 6.875 0.855 -9.778 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.535 1.528 -8.846 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.545 0.160 -10.688 1.00 0.00 N ATOM 0 H ARG A 19 0.568 3.778 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 19 1.130 3.338 -9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.978 3.534 -8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.410 1.990 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.857 0.954 -9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.404 2.499 -10.272 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.223 2.553 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.659 1.040 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 19 5.069 0.344 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.023 2.062 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.555 1.512 -8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.040 -0.360 -11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.565 0.146 -10.670 1.00 0.00 H new ATOM 270 N GLU A 20 0.266 0.962 -9.989 1.00 0.00 N ATOM 271 CA GLU A 20 -0.498 -0.269 -10.148 1.00 0.00 C ATOM 272 C GLU A 20 0.423 -1.486 -10.139 1.00 0.00 C ATOM 273 O GLU A 20 1.357 -1.578 -10.936 1.00 0.00 O ATOM 274 CB GLU A 20 -1.301 -0.233 -11.450 1.00 0.00 C ATOM 275 CG GLU A 20 -2.627 0.498 -11.327 1.00 0.00 C ATOM 276 CD GLU A 20 -3.435 0.460 -12.609 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.928 0.938 -13.645 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.576 -0.048 -12.576 1.00 0.00 O ATOM 0 H GLU A 20 0.821 1.222 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.187 -0.350 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.702 0.247 -12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.488 -1.255 -11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.210 0.052 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.441 1.536 -11.050 1.00 0.00 H new ATOM 285 N VAL A 21 0.152 -2.419 -9.232 1.00 0.00 N ATOM 286 CA VAL A 21 0.955 -3.631 -9.119 1.00 0.00 C ATOM 287 C VAL A 21 0.105 -4.876 -9.344 1.00 0.00 C ATOM 288 O VAL A 21 -0.967 -5.021 -8.758 1.00 0.00 O ATOM 289 CB VAL A 21 1.633 -3.728 -7.739 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.467 -4.997 -7.642 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.488 -2.498 -7.478 1.00 0.00 C ATOM 0 H VAL A 21 -0.617 -2.359 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 21 1.723 -3.575 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 21 0.857 -3.772 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.938 -5.048 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.824 -5.866 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.237 -4.987 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.959 -2.584 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.258 -2.420 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.861 -1.607 -7.502 1.00 0.00 H new ATOM 301 N GLN A 22 0.592 -5.773 -10.196 1.00 0.00 N ATOM 302 CA GLN A 22 -0.124 -7.006 -10.499 1.00 0.00 C ATOM 303 C GLN A 22 0.676 -8.224 -10.050 1.00 0.00 C ATOM 304 O GLN A 22 1.904 -8.239 -10.136 1.00 0.00 O ATOM 305 CB GLN A 22 -0.416 -7.097 -11.997 1.00 0.00 C ATOM 306 CG GLN A 22 -1.316 -8.263 -12.373 1.00 0.00 C ATOM 307 CD GLN A 22 -1.467 -8.425 -13.872 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.448 -7.446 -14.619 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.617 -9.665 -14.322 1.00 0.00 N ATOM 0 H GLN A 22 1.479 -5.669 -10.688 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.067 -6.992 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.883 -6.168 -12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.526 -7.188 -12.537 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.908 -9.182 -11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.299 -8.116 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.627 -10.447 -13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.722 -9.835 -15.322 1.00 0.00 H new ATOM 318 N ALA A 23 -0.027 -9.245 -9.570 1.00 0.00 N ATOM 319 CA ALA A 23 0.618 -10.468 -9.109 1.00 0.00 C ATOM 320 C ALA A 23 -0.229 -11.692 -9.438 1.00 0.00 C ATOM 321 O ALA A 23 -1.311 -11.574 -10.012 1.00 0.00 O ATOM 322 CB ALA A 23 0.883 -10.393 -7.612 1.00 0.00 C ATOM 0 H ALA A 23 -1.044 -9.249 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 23 1.570 -10.567 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.365 -11.313 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.535 -9.545 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.061 -10.267 -7.081 1.00 0.00 H new ATOM 328 N GLU A 24 0.271 -12.868 -9.070 1.00 0.00 N ATOM 329 CA GLU A 24 -0.440 -14.114 -9.328 1.00 0.00 C ATOM 330 C GLU A 24 -0.918 -14.748 -8.025 1.00 0.00 C ATOM 331 O GLU A 24 -0.368 -14.484 -6.956 1.00 0.00 O ATOM 332 CB GLU A 24 0.460 -15.094 -10.084 1.00 0.00 C ATOM 333 CG GLU A 24 0.766 -14.664 -11.509 1.00 0.00 C ATOM 334 CD GLU A 24 1.011 -15.840 -12.434 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.286 -16.850 -12.316 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.929 -15.750 -13.277 1.00 0.00 O ATOM 0 H GLU A 24 1.165 -12.983 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.311 -13.884 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.397 -15.208 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.019 -16.073 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.065 -14.072 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.644 -14.018 -11.509 1.00 0.00 H new ATOM 343 N ALA A 25 -1.946 -15.584 -8.123 1.00 0.00 N ATOM 344 CA ALA A 25 -2.498 -16.257 -6.953 1.00 0.00 C ATOM 345 C ALA A 25 -1.473 -17.195 -6.325 1.00 0.00 C ATOM 346 O ALA A 25 -0.977 -18.114 -6.975 1.00 0.00 O ATOM 347 CB ALA A 25 -3.757 -17.024 -7.330 1.00 0.00 C ATOM 0 H ALA A 25 -2.414 -15.812 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.756 -15.497 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.158 -17.521 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.500 -16.332 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.516 -17.769 -8.088 1.00 0.00 H new ATOM 353 N GLY A 26 -1.159 -16.955 -5.055 1.00 0.00 N ATOM 354 CA GLY A 26 -0.193 -17.786 -4.360 1.00 0.00 C ATOM 355 C GLY A 26 1.214 -17.228 -4.436 1.00 0.00 C ATOM 356 O GLY A 26 2.108 -17.682 -3.723 1.00 0.00 O ATOM 0 H GLY A 26 -1.556 -16.200 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.486 -17.882 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.206 -18.788 -4.788 1.00 0.00 H new ATOM 360 N ALA A 27 1.411 -16.241 -5.305 1.00 0.00 N ATOM 361 CA ALA A 27 2.719 -15.620 -5.471 1.00 0.00 C ATOM 362 C ALA A 27 2.993 -14.611 -4.362 1.00 0.00 C ATOM 363 O ALA A 27 2.126 -14.335 -3.533 1.00 0.00 O ATOM 364 CB ALA A 27 2.816 -14.949 -6.834 1.00 0.00 C ATOM 0 H ALA A 27 0.681 -15.855 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 27 3.475 -16.403 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.798 -14.489 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.674 -15.694 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.045 -14.183 -6.918 1.00 0.00 H new ATOM 370 N SER A 28 4.204 -14.063 -4.352 1.00 0.00 N ATOM 371 CA SER A 28 4.593 -13.087 -3.341 1.00 0.00 C ATOM 372 C SER A 28 4.836 -11.719 -3.971 1.00 0.00 C ATOM 373 O SER A 28 5.866 -11.489 -4.605 1.00 0.00 O ATOM 374 CB SER A 28 5.852 -13.554 -2.608 1.00 0.00 C ATOM 375 OG SER A 28 6.968 -13.585 -3.481 1.00 0.00 O ATOM 0 H SER A 28 4.933 -14.278 -5.033 1.00 0.00 H new ATOM 0 HA SER A 28 3.776 -12.998 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.059 -12.886 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.686 -14.547 -2.189 1.00 0.00 H new ATOM 0 HG SER A 28 6.857 -12.905 -4.178 1.00 0.00 H new ATOM 381 N ALA A 29 3.879 -10.814 -3.793 1.00 0.00 N ATOM 382 CA ALA A 29 3.989 -9.468 -4.342 1.00 0.00 C ATOM 383 C ALA A 29 4.991 -8.633 -3.552 1.00 0.00 C ATOM 384 O ALA A 29 5.501 -9.068 -2.520 1.00 0.00 O ATOM 385 CB ALA A 29 2.627 -8.790 -4.354 1.00 0.00 C ATOM 0 H ALA A 29 3.019 -10.989 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 29 4.351 -9.549 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.724 -7.786 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.938 -9.369 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.242 -8.729 -3.336 1.00 0.00 H new ATOM 391 N THR A 30 5.270 -7.430 -4.045 1.00 0.00 N ATOM 392 CA THR A 30 6.213 -6.534 -3.386 1.00 0.00 C ATOM 393 C THR A 30 5.974 -5.086 -3.798 1.00 0.00 C ATOM 394 O THR A 30 6.228 -4.705 -4.942 1.00 0.00 O ATOM 395 CB THR A 30 7.670 -6.915 -3.710 1.00 0.00 C ATOM 396 OG1 THR A 30 7.871 -8.315 -3.487 1.00 0.00 O ATOM 397 CG2 THR A 30 8.641 -6.115 -2.855 1.00 0.00 C ATOM 0 H THR A 30 4.856 -7.054 -4.898 1.00 0.00 H new ATOM 0 HA THR A 30 6.049 -6.635 -2.313 1.00 0.00 H new ATOM 0 HB THR A 30 7.859 -6.684 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.235 -8.634 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.664 -6.401 -3.101 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.505 -5.051 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.451 -6.319 -1.801 1.00 0.00 H new ATOM 405 N LEU A 31 5.487 -4.282 -2.860 1.00 0.00 N ATOM 406 CA LEU A 31 5.215 -2.873 -3.125 1.00 0.00 C ATOM 407 C LEU A 31 6.333 -1.991 -2.581 1.00 0.00 C ATOM 408 O LEU A 31 6.352 -1.655 -1.397 1.00 0.00 O ATOM 409 CB LEU A 31 3.879 -2.465 -2.502 1.00 0.00 C ATOM 410 CG LEU A 31 2.731 -3.464 -2.660 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.567 -3.086 -1.758 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.283 -3.535 -4.112 1.00 0.00 C ATOM 0 H LEU A 31 5.272 -4.581 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 31 5.162 -2.736 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.036 -2.288 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.571 -1.516 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 31 3.088 -4.450 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.760 -3.808 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.896 -3.088 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.209 -2.091 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.466 -4.250 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.943 -2.551 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.118 -3.854 -4.735 1.00 0.00 H new ATOM 424 N SER A 32 7.263 -1.617 -3.454 1.00 0.00 N ATOM 425 CA SER A 32 8.386 -0.774 -3.061 1.00 0.00 C ATOM 426 C SER A 32 8.080 0.697 -3.323 1.00 0.00 C ATOM 427 O SER A 32 7.289 1.030 -4.207 1.00 0.00 O ATOM 428 CB SER A 32 9.650 -1.187 -3.818 1.00 0.00 C ATOM 429 OG SER A 32 10.683 -0.232 -3.644 1.00 0.00 O ATOM 0 H SER A 32 7.261 -1.885 -4.438 1.00 0.00 H new ATOM 0 HA SER A 32 8.551 -0.907 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.988 -2.161 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.424 -1.294 -4.879 1.00 0.00 H new ATOM 0 HG SER A 32 11.480 -0.519 -4.136 1.00 0.00 H new ATOM 435 N CYS A 33 8.711 1.573 -2.549 1.00 0.00 N ATOM 436 CA CYS A 33 8.506 3.010 -2.696 1.00 0.00 C ATOM 437 C CYS A 33 9.650 3.790 -2.057 1.00 0.00 C ATOM 438 O CYS A 33 10.121 3.444 -0.974 1.00 0.00 O ATOM 439 CB CYS A 33 7.175 3.423 -2.066 1.00 0.00 C ATOM 440 SG CYS A 33 7.038 3.031 -0.306 1.00 0.00 S ATOM 0 H CYS A 33 9.369 1.314 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 33 8.483 3.242 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.040 4.496 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.363 2.930 -2.601 1.00 0.00 H new ATOM 0 HG CYS A 33 7.478 1.826 -0.094 1.00 0.00 H new ATOM 446 N GLU A 34 10.092 4.844 -2.736 1.00 0.00 N ATOM 447 CA GLU A 34 11.183 5.672 -2.234 1.00 0.00 C ATOM 448 C GLU A 34 10.693 6.609 -1.133 1.00 0.00 C ATOM 449 O GLU A 34 9.493 6.842 -0.989 1.00 0.00 O ATOM 450 CB GLU A 34 11.801 6.486 -3.373 1.00 0.00 C ATOM 451 CG GLU A 34 12.745 5.682 -4.252 1.00 0.00 C ATOM 452 CD GLU A 34 13.496 6.548 -5.245 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.960 7.638 -4.849 1.00 0.00 O ATOM 454 OE2 GLU A 34 13.620 6.136 -6.417 1.00 0.00 O ATOM 0 H GLU A 34 9.712 5.144 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 34 11.942 5.012 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.002 6.895 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.343 7.332 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.461 5.154 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.176 4.925 -4.793 1.00 0.00 H new ATOM 461 N VAL A 35 11.632 7.142 -0.358 1.00 0.00 N ATOM 462 CA VAL A 35 11.297 8.054 0.730 1.00 0.00 C ATOM 463 C VAL A 35 12.292 9.207 0.806 1.00 0.00 C ATOM 464 O VAL A 35 13.445 9.074 0.396 1.00 0.00 O ATOM 465 CB VAL A 35 11.270 7.323 2.086 1.00 0.00 C ATOM 466 CG1 VAL A 35 10.024 6.459 2.201 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.527 6.487 2.266 1.00 0.00 C ATOM 0 H VAL A 35 12.630 6.958 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 35 10.303 8.449 0.518 1.00 0.00 H new ATOM 0 HB VAL A 35 11.241 8.068 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.022 5.950 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.137 7.087 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.019 5.719 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.491 5.978 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.590 5.748 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.403 7.135 2.231 1.00 0.00 H new ATOM 477 N ALA A 36 11.838 10.338 1.335 1.00 0.00 N ATOM 478 CA ALA A 36 12.689 11.515 1.468 1.00 0.00 C ATOM 479 C ALA A 36 13.664 11.359 2.630 1.00 0.00 C ATOM 480 O ALA A 36 14.722 11.987 2.652 1.00 0.00 O ATOM 481 CB ALA A 36 11.839 12.763 1.654 1.00 0.00 C ATOM 0 H ALA A 36 10.886 10.465 1.679 1.00 0.00 H new ATOM 0 HA ALA A 36 13.270 11.618 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.487 13.634 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.187 12.891 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.232 12.659 2.554 1.00 0.00 H new ATOM 487 N GLN A 37 13.300 10.518 3.593 1.00 0.00 N ATOM 488 CA GLN A 37 14.143 10.281 4.759 1.00 0.00 C ATOM 489 C GLN A 37 14.058 8.826 5.205 1.00 0.00 C ATOM 490 O GLN A 37 13.012 8.190 5.085 1.00 0.00 O ATOM 491 CB GLN A 37 13.732 11.205 5.907 1.00 0.00 C ATOM 492 CG GLN A 37 13.915 12.681 5.596 1.00 0.00 C ATOM 493 CD GLN A 37 13.895 13.547 6.840 1.00 0.00 C ATOM 494 OE1 GLN A 37 12.990 14.360 7.030 1.00 0.00 O ATOM 495 NE2 GLN A 37 14.895 13.376 7.696 1.00 0.00 N ATOM 0 H GLN A 37 12.427 9.990 3.589 1.00 0.00 H new ATOM 0 HA GLN A 37 15.175 10.496 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.686 11.021 6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.317 10.954 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.861 12.824 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.125 13.006 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.624 12.691 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.934 13.930 8.552 1.00 0.00 H new ATOM 504 N ALA A 38 15.167 8.304 5.720 1.00 0.00 N ATOM 505 CA ALA A 38 15.217 6.924 6.187 1.00 0.00 C ATOM 506 C ALA A 38 14.649 6.800 7.597 1.00 0.00 C ATOM 507 O ALA A 38 13.711 6.039 7.832 1.00 0.00 O ATOM 508 CB ALA A 38 16.646 6.404 6.143 1.00 0.00 C ATOM 0 H ALA A 38 16.043 8.816 5.824 1.00 0.00 H new ATOM 0 HA ALA A 38 14.601 6.319 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.669 5.372 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.017 6.447 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.277 7.020 6.784 1.00 0.00 H new ATOM 514 N GLN A 39 15.225 7.551 8.529 1.00 0.00 N ATOM 515 CA GLN A 39 14.777 7.523 9.917 1.00 0.00 C ATOM 516 C GLN A 39 13.254 7.554 9.997 1.00 0.00 C ATOM 517 O GLN A 39 12.663 7.089 10.972 1.00 0.00 O ATOM 518 CB GLN A 39 15.364 8.706 10.689 1.00 0.00 C ATOM 519 CG GLN A 39 14.898 10.059 10.176 1.00 0.00 C ATOM 520 CD GLN A 39 15.256 11.194 11.115 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.385 11.687 11.110 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.294 11.617 11.927 1.00 0.00 N ATOM 0 H GLN A 39 16.002 8.186 8.349 1.00 0.00 H new ATOM 0 HA GLN A 39 15.128 6.595 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.094 8.613 11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.452 8.661 10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.344 10.246 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.818 10.037 10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.373 11.180 11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.476 12.379 12.580 1.00 0.00 H new ATOM 531 N THR A 40 12.623 8.105 8.965 1.00 0.00 N ATOM 532 CA THR A 40 11.169 8.198 8.919 1.00 0.00 C ATOM 533 C THR A 40 10.533 6.817 8.803 1.00 0.00 C ATOM 534 O THR A 40 11.039 5.949 8.093 1.00 0.00 O ATOM 535 CB THR A 40 10.698 9.068 7.738 1.00 0.00 C ATOM 536 OG1 THR A 40 11.135 10.419 7.921 1.00 0.00 O ATOM 537 CG2 THR A 40 9.183 9.032 7.610 1.00 0.00 C ATOM 0 H THR A 40 13.096 8.494 8.149 1.00 0.00 H new ATOM 0 HA THR A 40 10.853 8.664 9.852 1.00 0.00 H new ATOM 0 HB THR A 40 11.133 8.667 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.704 10.995 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.874 9.653 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.856 8.006 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.731 9.411 8.527 1.00 0.00 H new ATOM 545 N GLU A 41 9.421 6.622 9.505 1.00 0.00 N ATOM 546 CA GLU A 41 8.717 5.345 9.480 1.00 0.00 C ATOM 547 C GLU A 41 7.410 5.460 8.700 1.00 0.00 C ATOM 548 O GLU A 41 6.841 6.545 8.576 1.00 0.00 O ATOM 549 CB GLU A 41 8.433 4.866 10.905 1.00 0.00 C ATOM 550 CG GLU A 41 9.541 4.008 11.491 1.00 0.00 C ATOM 551 CD GLU A 41 9.066 3.151 12.648 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.978 2.549 12.533 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.783 3.082 13.668 1.00 0.00 O ATOM 0 H GLU A 41 8.989 7.331 10.097 1.00 0.00 H new ATOM 0 HA GLU A 41 9.356 4.617 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.279 5.733 11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.503 4.297 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.948 3.365 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.353 4.652 11.830 1.00 0.00 H new ATOM 560 N VAL A 42 6.940 4.333 8.175 1.00 0.00 N ATOM 561 CA VAL A 42 5.701 4.305 7.407 1.00 0.00 C ATOM 562 C VAL A 42 4.785 3.184 7.883 1.00 0.00 C ATOM 563 O VAL A 42 5.227 2.243 8.544 1.00 0.00 O ATOM 564 CB VAL A 42 5.976 4.125 5.903 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.110 5.034 5.454 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.294 2.670 5.590 1.00 0.00 C ATOM 0 H VAL A 42 7.399 3.427 8.268 1.00 0.00 H new ATOM 0 HA VAL A 42 5.209 5.265 7.566 1.00 0.00 H new ATOM 0 HB VAL A 42 5.078 4.405 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.290 4.892 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.839 6.073 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.015 4.789 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.486 2.561 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.177 2.362 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.448 2.044 5.872 1.00 0.00 H new ATOM 576 N THR A 43 3.504 3.289 7.543 1.00 0.00 N ATOM 577 CA THR A 43 2.524 2.284 7.935 1.00 0.00 C ATOM 578 C THR A 43 1.544 2.000 6.803 1.00 0.00 C ATOM 579 O THR A 43 0.684 2.825 6.492 1.00 0.00 O ATOM 580 CB THR A 43 1.735 2.725 9.183 1.00 0.00 C ATOM 581 OG1 THR A 43 2.634 2.958 10.273 1.00 0.00 O ATOM 582 CG2 THR A 43 0.713 1.671 9.578 1.00 0.00 C ATOM 0 H THR A 43 3.121 4.061 6.997 1.00 0.00 H new ATOM 0 HA THR A 43 3.080 1.375 8.167 1.00 0.00 H new ATOM 0 HB THR A 43 1.207 3.648 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.125 3.239 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.169 2.005 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.013 1.517 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.224 0.734 9.799 1.00 0.00 H new ATOM 590 N TRP A 44 1.678 0.829 6.191 1.00 0.00 N ATOM 591 CA TRP A 44 0.802 0.436 5.092 1.00 0.00 C ATOM 592 C TRP A 44 -0.638 0.286 5.571 1.00 0.00 C ATOM 593 O TRP A 44 -0.885 -0.117 6.707 1.00 0.00 O ATOM 594 CB TRP A 44 1.285 -0.875 4.471 1.00 0.00 C ATOM 595 CG TRP A 44 2.639 -0.768 3.835 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.848 -0.848 4.464 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.919 -0.560 2.447 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.864 -0.701 3.550 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.320 -0.525 2.305 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.123 -0.402 1.309 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.939 -0.337 1.073 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.739 -0.216 0.086 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.135 -0.185 -0.025 1.00 0.00 C ATOM 0 H TRP A 44 2.384 0.135 6.436 1.00 0.00 H new ATOM 0 HA TRP A 44 0.834 1.221 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.313 -1.645 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.564 -1.201 3.721 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.986 -1.004 5.524 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.861 -0.720 3.764 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.046 -0.425 1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.015 -0.312 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.133 -0.092 -0.800 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.586 -0.038 -0.995 1.00 0.00 H new ATOM 614 N TYR A 45 -1.584 0.613 4.697 1.00 0.00 N ATOM 615 CA TYR A 45 -3.000 0.516 5.032 1.00 0.00 C ATOM 616 C TYR A 45 -3.791 -0.100 3.882 1.00 0.00 C ATOM 617 O TYR A 45 -3.882 0.474 2.797 1.00 0.00 O ATOM 618 CB TYR A 45 -3.561 1.898 5.369 1.00 0.00 C ATOM 619 CG TYR A 45 -3.116 2.420 6.717 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.666 1.923 7.892 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.148 3.412 6.815 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.263 2.397 9.126 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.738 3.891 8.044 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.299 3.381 9.196 1.00 0.00 C ATOM 625 OH TYR A 45 -1.894 3.857 10.422 1.00 0.00 O ATOM 0 H TYR A 45 -1.396 0.947 3.752 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.098 -0.131 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.255 2.603 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.650 1.854 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.421 1.153 7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.709 3.815 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.700 1.999 10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.982 4.660 8.102 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.208 4.546 10.295 1.00 0.00 H new ATOM 635 N LYS A 46 -4.362 -1.274 4.128 1.00 0.00 N ATOM 636 CA LYS A 46 -5.148 -1.970 3.117 1.00 0.00 C ATOM 637 C LYS A 46 -6.638 -1.710 3.311 1.00 0.00 C ATOM 638 O LYS A 46 -7.160 -1.831 4.419 1.00 0.00 O ATOM 639 CB LYS A 46 -4.871 -3.474 3.171 1.00 0.00 C ATOM 640 CG LYS A 46 -5.033 -4.172 1.832 1.00 0.00 C ATOM 641 CD LYS A 46 -5.287 -5.660 2.005 1.00 0.00 C ATOM 642 CE LYS A 46 -6.046 -6.238 0.821 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.515 -6.026 0.948 1.00 0.00 N ATOM 0 H LYS A 46 -4.295 -1.764 5.020 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.855 -1.588 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.856 -3.635 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.545 -3.933 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.861 -3.722 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.135 -4.023 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.337 -6.181 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.855 -5.829 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.690 -5.775 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.838 -7.305 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.009 -6.933 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.730 -5.643 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.833 -5.354 0.220 1.00 0.00 H new ATOM 657 N ASP A 47 -7.318 -1.354 2.227 1.00 0.00 N ATOM 658 CA ASP A 47 -8.750 -1.079 2.278 1.00 0.00 C ATOM 659 C ASP A 47 -9.112 -0.322 3.551 1.00 0.00 C ATOM 660 O ASP A 47 -10.143 -0.584 4.169 1.00 0.00 O ATOM 661 CB ASP A 47 -9.544 -2.384 2.202 1.00 0.00 C ATOM 662 CG ASP A 47 -11.029 -2.147 2.006 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.450 -1.950 0.847 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.769 -2.158 3.011 1.00 0.00 O ATOM 0 H ASP A 47 -6.901 -1.249 1.302 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.007 -0.456 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.164 -2.990 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.388 -2.955 3.117 1.00 0.00 H new ATOM 669 N GLY A 48 -8.257 0.620 3.937 1.00 0.00 N ATOM 670 CA GLY A 48 -8.505 1.401 5.136 1.00 0.00 C ATOM 671 C GLY A 48 -8.354 0.582 6.402 1.00 0.00 C ATOM 672 O GLY A 48 -9.124 0.741 7.349 1.00 0.00 O ATOM 0 H GLY A 48 -7.397 0.857 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.814 2.243 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.512 1.817 5.094 1.00 0.00 H new ATOM 676 N LYS A 49 -7.359 -0.299 6.420 1.00 0.00 N ATOM 677 CA LYS A 49 -7.109 -1.147 7.580 1.00 0.00 C ATOM 678 C LYS A 49 -5.615 -1.236 7.877 1.00 0.00 C ATOM 679 O LYS A 49 -4.822 -1.622 7.018 1.00 0.00 O ATOM 680 CB LYS A 49 -7.677 -2.549 7.344 1.00 0.00 C ATOM 681 CG LYS A 49 -9.194 -2.589 7.287 1.00 0.00 C ATOM 682 CD LYS A 49 -9.723 -3.996 7.507 1.00 0.00 C ATOM 683 CE LYS A 49 -11.195 -4.102 7.137 1.00 0.00 C ATOM 684 NZ LYS A 49 -12.079 -3.630 8.239 1.00 0.00 N ATOM 0 H LYS A 49 -6.713 -0.444 5.644 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.607 -0.699 8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.276 -2.942 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.334 -3.210 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.605 -1.922 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.533 -2.219 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.145 -4.701 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.588 -4.278 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.387 -3.514 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.435 -5.138 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.074 -3.718 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.914 -4.208 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.867 -2.634 8.451 1.00 0.00 H new ATOM 698 N LYS A 50 -5.238 -0.877 9.099 1.00 0.00 N ATOM 699 CA LYS A 50 -3.840 -0.918 9.511 1.00 0.00 C ATOM 700 C LYS A 50 -3.231 -2.289 9.236 1.00 0.00 C ATOM 701 O LYS A 50 -3.715 -3.306 9.737 1.00 0.00 O ATOM 702 CB LYS A 50 -3.715 -0.582 10.999 1.00 0.00 C ATOM 703 CG LYS A 50 -2.284 -0.587 11.506 1.00 0.00 C ATOM 704 CD LYS A 50 -2.204 -0.139 12.956 1.00 0.00 C ATOM 705 CE LYS A 50 -0.783 -0.231 13.491 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.685 0.259 14.894 1.00 0.00 N ATOM 0 H LYS A 50 -5.881 -0.554 9.822 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.295 -0.175 8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.152 0.400 11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.298 -1.300 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.867 -1.589 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.675 0.072 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.560 0.888 13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.864 -0.756 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.443 -1.266 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.117 0.353 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.299 0.180 15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.985 1.254 14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.301 -0.314 15.506 1.00 0.00 H new ATOM 720 N LEU A 51 -2.169 -2.311 8.439 1.00 0.00 N ATOM 721 CA LEU A 51 -1.493 -3.558 8.099 1.00 0.00 C ATOM 722 C LEU A 51 -0.439 -3.909 9.144 1.00 0.00 C ATOM 723 O LEU A 51 0.206 -3.027 9.711 1.00 0.00 O ATOM 724 CB LEU A 51 -0.842 -3.448 6.719 1.00 0.00 C ATOM 725 CG LEU A 51 -1.792 -3.511 5.522 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.180 -2.812 4.318 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.133 -4.955 5.187 1.00 0.00 C ATOM 0 H LEU A 51 -1.757 -1.479 8.016 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.238 -4.353 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.293 -2.508 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.110 -4.250 6.619 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.714 -2.994 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.870 -2.867 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.988 -1.767 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.243 -3.300 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.810 -4.980 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.220 -5.497 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.614 -5.424 6.045 1.00 0.00 H new ATOM 739 N SER A 52 -0.267 -5.203 9.393 1.00 0.00 N ATOM 740 CA SER A 52 0.708 -5.671 10.371 1.00 0.00 C ATOM 741 C SER A 52 1.578 -6.778 9.783 1.00 0.00 C ATOM 742 O SER A 52 1.093 -7.866 9.473 1.00 0.00 O ATOM 743 CB SER A 52 -0.002 -6.178 11.628 1.00 0.00 C ATOM 744 OG SER A 52 0.926 -6.446 12.664 1.00 0.00 O ATOM 0 H SER A 52 -0.790 -5.946 8.931 1.00 0.00 H new ATOM 0 HA SER A 52 1.350 -4.832 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.725 -5.435 11.966 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.562 -7.084 11.393 1.00 0.00 H new ATOM 0 HG SER A 52 0.448 -6.767 13.457 1.00 0.00 H new ATOM 750 N SER A 53 2.867 -6.492 9.633 1.00 0.00 N ATOM 751 CA SER A 53 3.806 -7.461 9.080 1.00 0.00 C ATOM 752 C SER A 53 3.723 -8.787 9.829 1.00 0.00 C ATOM 753 O SER A 53 4.157 -8.894 10.976 1.00 0.00 O ATOM 754 CB SER A 53 5.234 -6.914 9.145 1.00 0.00 C ATOM 755 OG SER A 53 5.807 -7.137 10.422 1.00 0.00 O ATOM 0 H SER A 53 3.285 -5.597 9.887 1.00 0.00 H new ATOM 0 HA SER A 53 3.538 -7.635 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.845 -7.392 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.228 -5.846 8.927 1.00 0.00 H new ATOM 0 HG SER A 53 5.129 -7.506 11.025 1.00 0.00 H new ATOM 761 N SER A 54 3.161 -9.797 9.171 1.00 0.00 N ATOM 762 CA SER A 54 3.017 -11.116 9.775 1.00 0.00 C ATOM 763 C SER A 54 3.610 -12.195 8.873 1.00 0.00 C ATOM 764 O SER A 54 4.108 -11.905 7.785 1.00 0.00 O ATOM 765 CB SER A 54 1.542 -11.417 10.047 1.00 0.00 C ATOM 766 OG SER A 54 1.147 -10.931 11.318 1.00 0.00 O ATOM 0 H SER A 54 2.798 -9.726 8.220 1.00 0.00 H new ATOM 0 HA SER A 54 3.561 -11.117 10.719 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.926 -10.960 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.372 -12.493 9.997 1.00 0.00 H new ATOM 0 HG SER A 54 0.200 -11.135 11.466 1.00 0.00 H new ATOM 772 N SER A 55 3.553 -13.440 9.335 1.00 0.00 N ATOM 773 CA SER A 55 4.088 -14.562 8.572 1.00 0.00 C ATOM 774 C SER A 55 3.613 -14.510 7.123 1.00 0.00 C ATOM 775 O SER A 55 4.231 -15.095 6.234 1.00 0.00 O ATOM 776 CB SER A 55 3.667 -15.887 9.212 1.00 0.00 C ATOM 777 OG SER A 55 2.300 -16.163 8.959 1.00 0.00 O ATOM 0 H SER A 55 3.142 -13.697 10.233 1.00 0.00 H new ATOM 0 HA SER A 55 5.176 -14.491 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.283 -16.696 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.840 -15.847 10.287 1.00 0.00 H new ATOM 0 HG SER A 55 2.056 -17.015 9.377 1.00 0.00 H new ATOM 783 N LYS A 56 2.511 -13.805 6.894 1.00 0.00 N ATOM 784 CA LYS A 56 1.951 -13.674 5.554 1.00 0.00 C ATOM 785 C LYS A 56 2.536 -12.462 4.836 1.00 0.00 C ATOM 786 O LYS A 56 2.999 -12.564 3.700 1.00 0.00 O ATOM 787 CB LYS A 56 0.427 -13.552 5.624 1.00 0.00 C ATOM 788 CG LYS A 56 -0.276 -13.974 4.346 1.00 0.00 C ATOM 789 CD LYS A 56 -1.786 -13.860 4.477 1.00 0.00 C ATOM 790 CE LYS A 56 -2.393 -15.131 5.052 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.748 -14.891 5.621 1.00 0.00 N ATOM 0 H LYS A 56 1.987 -13.315 7.619 1.00 0.00 H new ATOM 0 HA LYS A 56 2.212 -14.570 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.060 -14.162 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.164 -12.519 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.066 -13.352 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.007 -15.002 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.034 -13.015 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.223 -13.657 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.456 -15.889 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.738 -15.527 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.127 -15.781 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.685 -14.187 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.380 -14.537 4.875 1.00 0.00 H new ATOM 805 N VAL A 57 2.513 -11.315 5.507 1.00 0.00 N ATOM 806 CA VAL A 57 3.043 -10.083 4.935 1.00 0.00 C ATOM 807 C VAL A 57 4.265 -9.599 5.708 1.00 0.00 C ATOM 808 O VAL A 57 4.270 -9.591 6.939 1.00 0.00 O ATOM 809 CB VAL A 57 1.981 -8.967 4.923 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.573 -7.673 4.385 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.772 -9.391 4.103 1.00 0.00 C ATOM 0 H VAL A 57 2.133 -11.213 6.448 1.00 0.00 H new ATOM 0 HA VAL A 57 3.332 -10.310 3.909 1.00 0.00 H new ATOM 0 HB VAL A 57 1.653 -8.790 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.809 -6.896 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.405 -7.363 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.930 -7.832 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.032 -8.591 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.081 -9.596 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.335 -10.290 4.537 1.00 0.00 H new ATOM 821 N ARG A 58 5.299 -9.195 4.977 1.00 0.00 N ATOM 822 CA ARG A 58 6.527 -8.710 5.594 1.00 0.00 C ATOM 823 C ARG A 58 6.955 -7.380 4.981 1.00 0.00 C ATOM 824 O ARG A 58 7.334 -7.316 3.811 1.00 0.00 O ATOM 825 CB ARG A 58 7.646 -9.741 5.433 1.00 0.00 C ATOM 826 CG ARG A 58 9.008 -9.236 5.881 1.00 0.00 C ATOM 827 CD ARG A 58 10.133 -9.933 5.132 1.00 0.00 C ATOM 828 NE ARG A 58 10.513 -11.194 5.764 1.00 0.00 N ATOM 829 CZ ARG A 58 11.136 -12.178 5.125 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.448 -12.048 3.843 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.448 -13.296 5.769 1.00 0.00 N ATOM 0 H ARG A 58 5.310 -9.194 3.957 1.00 0.00 H new ATOM 0 HA ARG A 58 6.334 -8.556 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.392 -10.633 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.705 -10.040 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.071 -8.160 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.125 -9.402 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.822 -10.122 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.000 -9.275 5.086 1.00 0.00 H new ATOM 0 HE ARG A 58 10.288 -11.326 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.210 -11.191 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.926 -12.805 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.209 -13.400 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.926 -14.051 5.278 1.00 0.00 H new ATOM 845 N VAL A 59 6.891 -6.318 5.779 1.00 0.00 N ATOM 846 CA VAL A 59 7.272 -4.989 5.315 1.00 0.00 C ATOM 847 C VAL A 59 8.716 -4.671 5.686 1.00 0.00 C ATOM 848 O VAL A 59 9.035 -4.462 6.856 1.00 0.00 O ATOM 849 CB VAL A 59 6.352 -3.904 5.904 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.355 -3.968 7.424 1.00 0.00 C ATOM 851 CG2 VAL A 59 6.775 -2.526 5.419 1.00 0.00 C ATOM 0 H VAL A 59 6.579 -6.352 6.749 1.00 0.00 H new ATOM 0 HA VAL A 59 7.170 -4.991 4.230 1.00 0.00 H new ATOM 0 HB VAL A 59 5.335 -4.089 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.699 -3.194 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.000 -4.946 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.368 -3.810 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.114 -1.771 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.800 -2.329 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.715 -2.489 4.331 1.00 0.00 H new ATOM 861 N GLU A 60 9.586 -4.636 4.681 1.00 0.00 N ATOM 862 CA GLU A 60 10.997 -4.343 4.902 1.00 0.00 C ATOM 863 C GLU A 60 11.282 -2.858 4.702 1.00 0.00 C ATOM 864 O GLU A 60 10.592 -2.179 3.942 1.00 0.00 O ATOM 865 CB GLU A 60 11.867 -5.173 3.956 1.00 0.00 C ATOM 866 CG GLU A 60 12.256 -6.530 4.519 1.00 0.00 C ATOM 867 CD GLU A 60 13.379 -6.441 5.534 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.336 -5.529 6.386 1.00 0.00 O ATOM 869 OE2 GLU A 60 14.300 -7.281 5.475 1.00 0.00 O ATOM 0 H GLU A 60 9.338 -4.807 3.706 1.00 0.00 H new ATOM 0 HA GLU A 60 11.240 -4.606 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.332 -5.318 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.772 -4.613 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.385 -6.988 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.561 -7.184 3.702 1.00 0.00 H new ATOM 876 N ALA A 61 12.305 -2.360 5.390 1.00 0.00 N ATOM 877 CA ALA A 61 12.683 -0.956 5.288 1.00 0.00 C ATOM 878 C ALA A 61 14.186 -0.806 5.076 1.00 0.00 C ATOM 879 O ALA A 61 14.950 -0.703 6.036 1.00 0.00 O ATOM 880 CB ALA A 61 12.245 -0.199 6.533 1.00 0.00 C ATOM 0 H ALA A 61 12.886 -2.908 6.024 1.00 0.00 H new ATOM 0 HA ALA A 61 12.176 -0.531 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.534 0.848 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.162 -0.269 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.724 -0.633 7.410 1.00 0.00 H new ATOM 886 N VAL A 62 14.603 -0.796 3.814 1.00 0.00 N ATOM 887 CA VAL A 62 16.015 -0.658 3.477 1.00 0.00 C ATOM 888 C VAL A 62 16.355 0.782 3.111 1.00 0.00 C ATOM 889 O VAL A 62 15.942 1.282 2.065 1.00 0.00 O ATOM 890 CB VAL A 62 16.405 -1.580 2.306 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.521 -3.021 2.777 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.394 -1.459 1.175 1.00 0.00 C ATOM 0 H VAL A 62 13.983 -0.882 3.008 1.00 0.00 H new ATOM 0 HA VAL A 62 16.581 -0.948 4.362 1.00 0.00 H new ATOM 0 HB VAL A 62 17.379 -1.268 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.797 -3.657 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.285 -3.090 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.564 -3.350 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.684 -2.117 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.407 -1.745 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.366 -0.429 0.821 1.00 0.00 H new ATOM 902 N GLY A 63 17.111 1.446 3.980 1.00 0.00 N ATOM 903 CA GLY A 63 17.495 2.823 3.730 1.00 0.00 C ATOM 904 C GLY A 63 16.308 3.701 3.386 1.00 0.00 C ATOM 905 O GLY A 63 15.444 3.947 4.228 1.00 0.00 O ATOM 0 H GLY A 63 17.465 1.055 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.996 3.223 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.215 2.854 2.912 1.00 0.00 H new ATOM 909 N CYS A 64 16.267 4.177 2.146 1.00 0.00 N ATOM 910 CA CYS A 64 15.179 5.036 1.693 1.00 0.00 C ATOM 911 C CYS A 64 14.245 4.281 0.753 1.00 0.00 C ATOM 912 O CYS A 64 13.814 4.811 -0.272 1.00 0.00 O ATOM 913 CB CYS A 64 15.737 6.274 0.990 1.00 0.00 C ATOM 914 SG CYS A 64 16.389 7.530 2.115 1.00 0.00 S ATOM 0 H CYS A 64 16.974 3.983 1.437 1.00 0.00 H new ATOM 0 HA CYS A 64 14.609 5.350 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.530 5.965 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.949 6.720 0.382 1.00 0.00 H new ATOM 0 HG CYS A 64 16.840 8.537 1.427 1.00 0.00 H new ATOM 920 N THR A 65 13.937 3.037 1.107 1.00 0.00 N ATOM 921 CA THR A 65 13.057 2.207 0.294 1.00 0.00 C ATOM 922 C THR A 65 12.198 1.298 1.166 1.00 0.00 C ATOM 923 O THR A 65 12.716 0.497 1.944 1.00 0.00 O ATOM 924 CB THR A 65 13.859 1.340 -0.696 1.00 0.00 C ATOM 925 OG1 THR A 65 14.383 2.157 -1.749 1.00 0.00 O ATOM 926 CG2 THR A 65 12.985 0.244 -1.286 1.00 0.00 C ATOM 0 H THR A 65 14.284 2.582 1.951 1.00 0.00 H new ATOM 0 HA THR A 65 12.412 2.884 -0.266 1.00 0.00 H new ATOM 0 HB THR A 65 14.682 0.875 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.178 3.098 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.573 -0.355 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.610 -0.393 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.145 0.694 -1.815 1.00 0.00 H new ATOM 934 N ARG A 66 10.882 1.428 1.030 1.00 0.00 N ATOM 935 CA ARG A 66 9.951 0.619 1.807 1.00 0.00 C ATOM 936 C ARG A 66 9.210 -0.369 0.910 1.00 0.00 C ATOM 937 O ARG A 66 8.408 0.027 0.063 1.00 0.00 O ATOM 938 CB ARG A 66 8.947 1.515 2.535 1.00 0.00 C ATOM 939 CG ARG A 66 9.598 2.612 3.361 1.00 0.00 C ATOM 940 CD ARG A 66 10.263 2.051 4.608 1.00 0.00 C ATOM 941 NE ARG A 66 11.047 3.062 5.312 1.00 0.00 N ATOM 942 CZ ARG A 66 12.285 3.401 4.972 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.877 2.813 3.941 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.933 4.330 5.662 1.00 0.00 N ATOM 0 H ARG A 66 10.437 2.085 0.389 1.00 0.00 H new ATOM 0 HA ARG A 66 10.525 0.056 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.281 1.970 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.329 0.898 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.339 3.133 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.846 3.347 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.501 1.653 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.910 1.219 4.331 1.00 0.00 H new ATOM 0 HE ARG A 66 10.620 3.534 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.381 2.099 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.828 3.075 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.480 4.785 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.884 4.589 5.400 1.00 0.00 H new ATOM 958 N ARG A 67 9.484 -1.655 1.101 1.00 0.00 N ATOM 959 CA ARG A 67 8.846 -2.699 0.309 1.00 0.00 C ATOM 960 C ARG A 67 7.918 -3.548 1.174 1.00 0.00 C ATOM 961 O ARG A 67 8.217 -3.824 2.337 1.00 0.00 O ATOM 962 CB ARG A 67 9.902 -3.588 -0.349 1.00 0.00 C ATOM 963 CG ARG A 67 10.618 -4.507 0.627 1.00 0.00 C ATOM 964 CD ARG A 67 11.772 -5.239 -0.041 1.00 0.00 C ATOM 965 NE ARG A 67 12.806 -5.621 0.916 1.00 0.00 N ATOM 966 CZ ARG A 67 13.727 -6.547 0.673 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.743 -7.181 -0.491 1.00 0.00 N ATOM 968 NH2 ARG A 67 14.635 -6.839 1.595 1.00 0.00 N ATOM 0 H ARG A 67 10.144 -1.999 1.798 1.00 0.00 H new ATOM 0 HA ARG A 67 8.251 -2.218 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.426 -4.192 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.638 -2.956 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.994 -3.924 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.911 -5.232 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.394 -6.131 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.208 -4.602 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 67 12.822 -5.151 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.047 -6.958 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.451 -7.892 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.626 -6.352 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.342 -7.550 1.408 1.00 0.00 H new ATOM 982 N LEU A 68 6.793 -3.958 0.599 1.00 0.00 N ATOM 983 CA LEU A 68 5.821 -4.775 1.318 1.00 0.00 C ATOM 984 C LEU A 68 5.620 -6.118 0.623 1.00 0.00 C ATOM 985 O LEU A 68 4.863 -6.223 -0.342 1.00 0.00 O ATOM 986 CB LEU A 68 4.485 -4.038 1.424 1.00 0.00 C ATOM 987 CG LEU A 68 3.499 -4.581 2.459 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.708 -3.900 3.803 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.067 -4.394 1.981 1.00 0.00 C ATOM 0 H LEU A 68 6.531 -3.739 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 68 6.208 -4.959 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.687 -2.993 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.003 -4.059 0.447 1.00 0.00 H new ATOM 0 HG LEU A 68 3.682 -5.648 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.998 -4.299 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.724 -4.086 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.552 -2.827 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.379 -4.786 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.870 -3.333 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.924 -4.929 1.042 1.00 0.00 H new ATOM 1001 N VAL A 69 6.302 -7.145 1.123 1.00 0.00 N ATOM 1002 CA VAL A 69 6.196 -8.482 0.553 1.00 0.00 C ATOM 1003 C VAL A 69 4.964 -9.209 1.081 1.00 0.00 C ATOM 1004 O VAL A 69 4.892 -9.555 2.260 1.00 0.00 O ATOM 1005 CB VAL A 69 7.447 -9.325 0.862 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.308 -10.723 0.277 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.696 -8.638 0.332 1.00 0.00 C ATOM 0 H VAL A 69 6.933 -7.076 1.921 1.00 0.00 H new ATOM 0 HA VAL A 69 6.107 -8.359 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 69 7.543 -9.418 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.202 -11.304 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.436 -11.213 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.187 -10.655 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.571 -9.248 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.612 -8.512 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.802 -7.661 0.804 1.00 0.00 H new ATOM 1017 N VAL A 70 3.995 -9.438 0.200 1.00 0.00 N ATOM 1018 CA VAL A 70 2.766 -10.125 0.576 1.00 0.00 C ATOM 1019 C VAL A 70 2.771 -11.569 0.086 1.00 0.00 C ATOM 1020 O VAL A 70 2.576 -11.832 -1.100 1.00 0.00 O ATOM 1021 CB VAL A 70 1.526 -9.407 0.012 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.266 -10.210 0.299 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.416 -8.003 0.587 1.00 0.00 C ATOM 0 H VAL A 70 4.038 -9.157 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 70 2.718 -10.114 1.665 1.00 0.00 H new ATOM 0 HB VAL A 70 1.636 -9.325 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.599 -9.686 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.347 -11.193 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.147 -10.327 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.534 -7.510 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.329 -8.060 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.306 -7.431 0.324 1.00 0.00 H new ATOM 1033 N GLN A 71 2.994 -12.500 1.008 1.00 0.00 N ATOM 1034 CA GLN A 71 3.025 -13.918 0.668 1.00 0.00 C ATOM 1035 C GLN A 71 1.626 -14.429 0.339 1.00 0.00 C ATOM 1036 O GLN A 71 0.636 -13.955 0.896 1.00 0.00 O ATOM 1037 CB GLN A 71 3.618 -14.727 1.823 1.00 0.00 C ATOM 1038 CG GLN A 71 5.014 -14.280 2.225 1.00 0.00 C ATOM 1039 CD GLN A 71 5.846 -15.410 2.799 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.325 -16.477 3.125 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.148 -15.181 2.926 1.00 0.00 N ATOM 0 H GLN A 71 3.156 -12.299 1.995 1.00 0.00 H new ATOM 0 HA GLN A 71 3.654 -14.042 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.958 -14.649 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.650 -15.779 1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.523 -13.865 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.937 -13.480 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.538 -14.282 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.758 -15.904 3.306 1.00 0.00 H new ATOM 1050 N GLN A 72 1.553 -15.398 -0.568 1.00 0.00 N ATOM 1051 CA GLN A 72 0.275 -15.972 -0.971 1.00 0.00 C ATOM 1052 C GLN A 72 -0.721 -14.877 -1.341 1.00 0.00 C ATOM 1053 O GLN A 72 -1.842 -14.848 -0.835 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.296 -16.838 0.153 1.00 0.00 C ATOM 1055 CG GLN A 72 0.435 -18.158 0.335 1.00 0.00 C ATOM 1056 CD GLN A 72 0.115 -18.825 1.658 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -1.013 -18.750 2.148 1.00 0.00 O ATOM 1058 NE2 GLN A 72 1.107 -19.483 2.246 1.00 0.00 N ATOM 0 H GLN A 72 2.364 -15.802 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 72 0.446 -16.595 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.256 -16.278 1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.347 -17.040 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.170 -18.831 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.509 -17.986 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.026 -19.520 1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.950 -19.951 3.138 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.302 -13.979 -2.227 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.158 -12.884 -2.667 1.00 0.00 C ATOM 1069 C ALA A 73 -2.451 -13.410 -3.280 1.00 0.00 C ATOM 1070 O ALA A 73 -2.484 -13.793 -4.449 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.418 -12.004 -3.663 1.00 0.00 C ATOM 0 H ALA A 73 0.624 -13.988 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.419 -12.286 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.069 -11.190 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.474 -11.591 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.128 -12.599 -4.529 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.516 -13.426 -2.484 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.797 -13.907 -2.966 1.00 0.00 C ATOM 1079 C GLY A 74 -5.853 -12.821 -2.991 1.00 0.00 C ATOM 1080 O GLY A 74 -5.616 -11.706 -2.526 1.00 0.00 O ATOM 0 H GLY A 74 -3.514 -13.114 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.674 -14.313 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.137 -14.725 -2.331 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.021 -13.145 -3.537 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.116 -12.186 -3.623 1.00 0.00 C ATOM 1086 C GLN A 75 -8.122 -11.257 -2.413 1.00 0.00 C ATOM 1087 O GLN A 75 -7.898 -10.054 -2.540 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.455 -12.917 -3.726 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.666 -13.614 -5.061 1.00 0.00 C ATOM 1090 CD GLN A 75 -8.787 -14.838 -5.226 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -7.617 -14.651 -5.825 1.00 0.00 O flip ATOM 1092 NE2 GLN A 75 -9.156 -15.940 -4.819 1.00 0.00 N flip ATOM 0 H GLN A 75 -7.233 -14.064 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.969 -11.584 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.519 -13.655 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.263 -12.203 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.712 -13.908 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.461 -12.912 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.064 -16.038 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.554 -16.755 -4.937 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.381 -11.825 -1.239 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.415 -11.048 -0.006 1.00 0.00 C ATOM 1103 C ALA A 76 -7.265 -10.048 0.045 1.00 0.00 C ATOM 1104 O ALA A 76 -7.461 -8.880 0.379 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.367 -11.973 1.201 1.00 0.00 C ATOM 0 H ALA A 76 -8.570 -12.820 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.350 -10.488 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.393 -11.380 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.226 -12.644 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.448 -12.558 1.174 1.00 0.00 H new ATOM 1111 N GLU A 77 -6.065 -10.515 -0.288 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.884 -9.661 -0.278 1.00 0.00 C ATOM 1113 C GLU A 77 -4.959 -8.616 -1.388 1.00 0.00 C ATOM 1114 O GLU A 77 -4.427 -7.514 -1.255 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.617 -10.503 -0.440 1.00 0.00 C ATOM 1116 CG GLU A 77 -3.130 -11.125 0.858 1.00 0.00 C ATOM 1117 CD GLU A 77 -2.423 -12.449 0.642 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -1.202 -12.434 0.382 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.091 -13.500 0.731 1.00 0.00 O ATOM 0 H GLU A 77 -5.886 -11.479 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.848 -9.145 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.807 -11.295 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.825 -9.878 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.452 -10.432 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.979 -11.275 1.525 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.622 -8.972 -2.484 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.768 -8.066 -3.616 1.00 0.00 C ATOM 1128 C ALA A 78 -6.689 -6.901 -3.272 1.00 0.00 C ATOM 1129 O ALA A 78 -7.834 -7.101 -2.868 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.295 -8.818 -4.829 1.00 0.00 C ATOM 0 H ALA A 78 -6.066 -9.881 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.785 -7.659 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.399 -8.129 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.597 -9.612 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.266 -9.253 -4.594 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.182 -5.683 -3.435 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.973 -4.504 -3.136 1.00 0.00 C ATOM 1138 C GLY A 79 -6.212 -3.216 -3.385 1.00 0.00 C ATOM 1139 O GLY A 79 -5.662 -3.013 -4.466 1.00 0.00 O ATOM 0 H GLY A 79 -5.237 -5.492 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.876 -4.512 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.291 -4.539 -2.094 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.182 -2.345 -2.381 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.485 -1.070 -2.498 1.00 0.00 C ATOM 1145 C GLU A 80 -4.678 -0.773 -1.238 1.00 0.00 C ATOM 1146 O GLU A 80 -5.238 -0.445 -0.192 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.483 0.061 -2.756 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.772 0.295 -4.229 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.682 1.485 -4.464 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -8.732 1.571 -3.794 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.343 2.331 -5.318 1.00 0.00 O ATOM 0 H GLU A 80 -6.632 -2.499 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.798 -1.138 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.417 -0.167 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.096 0.982 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.833 0.451 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.232 -0.598 -4.651 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.359 -0.892 -1.346 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.474 -0.640 -0.215 1.00 0.00 C ATOM 1160 C TYR A 81 -2.025 0.818 -0.189 1.00 0.00 C ATOM 1161 O TYR A 81 -1.640 1.379 -1.215 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.254 -1.560 -0.280 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.577 -3.014 -0.019 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.343 -3.747 -0.918 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.119 -3.654 1.125 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.642 -5.076 -0.684 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.411 -4.982 1.367 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.173 -5.689 0.460 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.468 -7.012 0.697 1.00 0.00 O ATOM 0 H TYR A 81 -2.879 -1.161 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.028 -0.847 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.794 -1.470 -1.264 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.517 -1.224 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.711 -3.270 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.524 -3.103 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.239 -5.631 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.045 -5.464 2.261 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.144 -7.316 0.056 1.00 0.00 H new ATOM 1179 N SER A 82 -2.076 1.425 0.993 1.00 0.00 N ATOM 1180 CA SER A 82 -1.678 2.819 1.154 1.00 0.00 C ATOM 1181 C SER A 82 -0.544 2.946 2.166 1.00 0.00 C ATOM 1182 O SER A 82 -0.728 2.688 3.357 1.00 0.00 O ATOM 1183 CB SER A 82 -2.872 3.664 1.599 1.00 0.00 C ATOM 1184 OG SER A 82 -4.017 3.385 0.811 1.00 0.00 O ATOM 0 H SER A 82 -2.389 0.974 1.853 1.00 0.00 H new ATOM 0 HA SER A 82 -1.324 3.184 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.091 3.465 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.622 4.722 1.521 1.00 0.00 H new ATOM 0 HG SER A 82 -4.767 3.937 1.117 1.00 0.00 H new ATOM 1190 N CYS A 83 0.628 3.345 1.686 1.00 0.00 N ATOM 1191 CA CYS A 83 1.794 3.507 2.548 1.00 0.00 C ATOM 1192 C CYS A 83 1.810 4.892 3.186 1.00 0.00 C ATOM 1193 O CYS A 83 2.353 5.840 2.620 1.00 0.00 O ATOM 1194 CB CYS A 83 3.079 3.284 1.750 1.00 0.00 C ATOM 1195 SG CYS A 83 4.574 3.213 2.764 1.00 0.00 S ATOM 0 H CYS A 83 0.797 3.563 0.704 1.00 0.00 H new ATOM 0 HA CYS A 83 1.735 2.762 3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.989 2.354 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.185 4.087 1.021 1.00 0.00 H new ATOM 0 HG CYS A 83 5.619 3.163 1.993 1.00 0.00 H new ATOM 1201 N GLU A 84 1.210 5.001 4.368 1.00 0.00 N ATOM 1202 CA GLU A 84 1.154 6.271 5.081 1.00 0.00 C ATOM 1203 C GLU A 84 2.479 6.561 5.781 1.00 0.00 C ATOM 1204 O GLU A 84 3.217 5.644 6.139 1.00 0.00 O ATOM 1205 CB GLU A 84 0.017 6.257 6.104 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.591 7.627 6.357 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.359 7.692 7.663 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.711 7.759 8.729 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.606 7.676 7.620 1.00 0.00 O ATOM 0 H GLU A 84 0.757 4.225 4.851 1.00 0.00 H new ATOM 0 HA GLU A 84 0.968 7.060 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.764 5.581 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.392 5.855 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.201 8.376 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.259 7.882 5.534 1.00 0.00 H new ATOM 1216 N ALA A 85 2.773 7.843 5.972 1.00 0.00 N ATOM 1217 CA ALA A 85 4.006 8.254 6.630 1.00 0.00 C ATOM 1218 C ALA A 85 4.032 9.762 6.856 1.00 0.00 C ATOM 1219 O ALA A 85 4.127 10.540 5.908 1.00 0.00 O ATOM 1220 CB ALA A 85 5.212 7.821 5.809 1.00 0.00 C ATOM 0 H ALA A 85 2.173 8.615 5.680 1.00 0.00 H new ATOM 0 HA ALA A 85 4.049 7.766 7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.126 8.135 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.210 6.736 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.165 8.282 4.822 1.00 0.00 H new ATOM 1226 N GLY A 86 3.945 10.168 8.120 1.00 0.00 N ATOM 1227 CA GLY A 86 3.959 11.582 8.447 1.00 0.00 C ATOM 1228 C GLY A 86 2.659 12.273 8.087 1.00 0.00 C ATOM 1229 O GLY A 86 1.748 12.364 8.910 1.00 0.00 O ATOM 0 H GLY A 86 3.865 9.543 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.148 11.703 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.782 12.065 7.920 1.00 0.00 H new ATOM 1233 N GLY A 87 2.572 12.763 6.854 1.00 0.00 N ATOM 1234 CA GLY A 87 1.370 13.445 6.410 1.00 0.00 C ATOM 1235 C GLY A 87 1.026 13.131 4.968 1.00 0.00 C ATOM 1236 O GLY A 87 0.098 13.712 4.405 1.00 0.00 O ATOM 0 H GLY A 87 3.312 12.700 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.536 13.159 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.503 14.521 6.523 1.00 0.00 H new ATOM 1240 N GLN A 88 1.775 12.212 4.368 1.00 0.00 N ATOM 1241 CA GLN A 88 1.545 11.825 2.981 1.00 0.00 C ATOM 1242 C GLN A 88 1.417 10.311 2.852 1.00 0.00 C ATOM 1243 O GLN A 88 1.750 9.570 3.777 1.00 0.00 O ATOM 1244 CB GLN A 88 2.683 12.330 2.093 1.00 0.00 C ATOM 1245 CG GLN A 88 2.702 13.841 1.928 1.00 0.00 C ATOM 1246 CD GLN A 88 3.930 14.332 1.188 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.598 13.566 0.492 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.236 15.616 1.333 1.00 0.00 N ATOM 0 H GLN A 88 2.546 11.721 4.820 1.00 0.00 H new ATOM 0 HA GLN A 88 0.610 12.279 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.634 12.007 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.599 11.867 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.808 14.155 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.663 14.310 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.655 16.216 1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.052 16.003 0.858 1.00 0.00 H new ATOM 1257 N GLN A 89 0.932 9.859 1.701 1.00 0.00 N ATOM 1258 CA GLN A 89 0.759 8.432 1.452 1.00 0.00 C ATOM 1259 C GLN A 89 0.583 8.156 -0.037 1.00 0.00 C ATOM 1260 O GLN A 89 0.148 9.026 -0.793 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.448 7.901 2.228 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.773 8.488 1.769 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.101 8.134 0.332 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.020 6.850 0.004 1.00 0.00 O flip ATOM 1265 NE2 GLN A 89 -2.424 9.006 -0.475 1.00 0.00 N flip ATOM 0 H GLN A 89 0.652 10.460 0.926 1.00 0.00 H new ATOM 0 HA GLN A 89 1.657 7.918 1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.486 6.816 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.312 8.117 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.570 8.128 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.742 9.572 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.474 9.981 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.642 8.753 -1.439 1.00 0.00 H new ATOM 1274 N LEU A 90 0.923 6.941 -0.453 1.00 0.00 N ATOM 1275 CA LEU A 90 0.802 6.550 -1.853 1.00 0.00 C ATOM 1276 C LEU A 90 -0.090 5.322 -2.000 1.00 0.00 C ATOM 1277 O LEU A 90 -0.127 4.460 -1.123 1.00 0.00 O ATOM 1278 CB LEU A 90 2.184 6.265 -2.444 1.00 0.00 C ATOM 1279 CG LEU A 90 3.261 7.315 -2.170 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.648 6.720 -2.361 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.069 8.524 -3.073 1.00 0.00 C ATOM 0 H LEU A 90 1.285 6.210 0.159 1.00 0.00 H new ATOM 0 HA LEU A 90 0.344 7.376 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.532 5.307 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.080 6.154 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 90 3.168 7.641 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.401 7.482 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.784 5.886 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.754 6.365 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.844 9.261 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.135 8.213 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.090 8.965 -2.887 1.00 0.00 H new ATOM 1293 N SER A 91 -0.807 5.249 -3.117 1.00 0.00 N ATOM 1294 CA SER A 91 -1.701 4.127 -3.379 1.00 0.00 C ATOM 1295 C SER A 91 -0.992 3.045 -4.190 1.00 0.00 C ATOM 1296 O SER A 91 -0.277 3.340 -5.148 1.00 0.00 O ATOM 1297 CB SER A 91 -2.948 4.604 -4.126 1.00 0.00 C ATOM 1298 OG SER A 91 -3.249 5.951 -3.806 1.00 0.00 O ATOM 0 H SER A 91 -0.786 5.953 -3.855 1.00 0.00 H new ATOM 0 HA SER A 91 -2.000 3.702 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.791 4.508 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.795 3.968 -3.870 1.00 0.00 H new ATOM 0 HG SER A 91 -4.049 6.233 -4.297 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.196 1.792 -3.798 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.577 0.665 -4.486 1.00 0.00 C ATOM 1306 C PHE A 92 -1.592 -0.446 -4.733 1.00 0.00 C ATOM 1307 O PHE A 92 -1.771 -1.335 -3.900 1.00 0.00 O ATOM 1308 CB PHE A 92 0.599 0.125 -3.669 1.00 0.00 C ATOM 1309 CG PHE A 92 1.843 0.959 -3.785 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.750 0.734 -4.807 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.105 1.967 -2.872 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.896 1.499 -4.917 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.248 2.736 -2.977 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.146 2.501 -4.000 1.00 0.00 C ATOM 0 H PHE A 92 -1.785 1.531 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.210 1.017 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.306 0.067 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.821 -0.891 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.560 -0.048 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.408 2.154 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.595 1.313 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.439 3.520 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.041 3.099 -4.083 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.256 -0.389 -5.883 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.255 -1.389 -6.240 1.00 0.00 C ATOM 1326 C ARG A 93 -2.601 -2.745 -6.490 1.00 0.00 C ATOM 1327 O ARG A 93 -1.753 -2.884 -7.373 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.029 -0.946 -7.483 1.00 0.00 C ATOM 1329 CG ARG A 93 -4.952 -2.018 -8.039 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.324 -1.967 -7.385 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.089 -0.798 -7.810 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.367 -0.605 -7.503 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -9.019 -1.500 -6.773 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.995 0.484 -7.927 1.00 0.00 N ATOM 0 H ARG A 93 -2.120 0.340 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.949 -1.488 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.618 -0.062 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.320 -0.652 -8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.056 -1.887 -9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.508 -3.001 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.878 -2.873 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.209 -1.951 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.616 -0.091 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.539 -2.339 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.000 -1.350 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.497 1.174 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.976 0.631 -7.691 1.00 0.00 H new ATOM 1348 N LEU A 94 -3.001 -3.741 -5.708 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.454 -5.087 -5.845 1.00 0.00 C ATOM 1350 C LEU A 94 -3.494 -6.041 -6.423 1.00 0.00 C ATOM 1351 O LEU A 94 -4.513 -6.320 -5.792 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.972 -5.603 -4.488 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.739 -7.111 -4.387 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.577 -7.532 -5.271 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.487 -7.516 -2.942 1.00 0.00 C ATOM 0 H LEU A 94 -3.701 -3.643 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.608 -5.041 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.041 -5.094 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.704 -5.317 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.637 -7.622 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.426 -8.608 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.798 -7.277 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.328 -7.013 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.323 -8.592 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.606 -6.996 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.351 -7.250 -2.334 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.228 -6.539 -7.627 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.141 -7.463 -8.289 1.00 0.00 C ATOM 1369 C GLN A 95 -3.619 -8.894 -8.210 1.00 0.00 C ATOM 1370 O GLN A 95 -2.414 -9.122 -8.103 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.336 -7.060 -9.752 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.259 -5.866 -9.936 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.142 -5.245 -11.314 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.535 -5.821 -12.217 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -5.724 -4.063 -11.482 1.00 0.00 N ATOM 0 H GLN A 95 -2.389 -6.318 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.101 -7.416 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.365 -6.829 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.740 -7.909 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.290 -6.179 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.028 -5.114 -9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.217 -3.622 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.678 -3.596 -12.388 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.535 -9.857 -8.262 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.167 -11.266 -8.196 1.00 0.00 C ATOM 1386 C VAL A 96 -4.760 -12.043 -9.366 1.00 0.00 C ATOM 1387 O VAL A 96 -5.966 -11.997 -9.608 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.637 -11.908 -6.877 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.260 -13.381 -6.836 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -4.050 -11.165 -5.686 1.00 0.00 C ATOM 0 H VAL A 96 -5.537 -9.686 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.079 -11.312 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.723 -11.835 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.600 -13.818 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.732 -13.901 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.177 -13.482 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.392 -11.631 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.962 -11.206 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.375 -10.125 -5.710 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.904 -12.759 -10.088 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.343 -13.549 -11.232 1.00 0.00 C ATOM 1402 C ALA A 97 -4.657 -14.983 -10.820 1.00 0.00 C ATOM 1403 O ALA A 97 -3.803 -15.686 -10.282 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.284 -13.532 -12.324 1.00 0.00 C ATOM 0 H ALA A 97 -2.903 -12.808 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.257 -13.101 -11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.626 -14.126 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.111 -12.505 -12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.356 -13.952 -11.937 1.00 0.00 H new