USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 72 GLN : amide:sc= 0.193 K(o=-5.4,f=-8.2) USER MOD Set 1.2: A 75 ASN : amide:sc= -5.58! C(o=-5.4!,f=-14!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.656 F(o=-1.2,f=-0.66) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 169:sc= -2.28! (180deg=-2.72!) USER MOD Single : A 39 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 45 MET CE :methyl -163:sc= 0 (180deg=-0.419) USER MOD Single : A 46 ASN : amide:sc= -3.06! C(o=-3.1!,f=-5.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 150:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.036) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.296 F(o=-0.91,f=-0.3) USER MOD Single : A 57 THR OG1 : rot 93:sc= -0.214! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.72 (180deg=1.63) USER MOD Single : A 85 TYR OH : rot 105:sc= 0.0165 USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= 0.267 (180deg=-0.498) USER MOD Single : A 91 SER OG : rot 92:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 2.281 22.477 -7.993 1.00 0.00 N ATOM 63 CA LYS A 5 2.766 21.129 -8.282 1.00 0.00 C ATOM 64 C LYS A 5 3.211 20.405 -7.014 1.00 0.00 C ATOM 65 O LYS A 5 3.261 19.181 -6.981 1.00 0.00 O ATOM 66 CB LYS A 5 3.928 21.182 -9.276 1.00 0.00 C ATOM 67 CG LYS A 5 3.609 21.943 -10.552 1.00 0.00 C ATOM 68 CD LYS A 5 2.439 21.319 -11.296 1.00 0.00 C ATOM 69 CE LYS A 5 2.881 20.691 -12.608 1.00 0.00 C ATOM 70 NZ LYS A 5 1.731 20.146 -13.380 1.00 0.00 N ATOM 0 HA LYS A 5 1.937 20.572 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.787 21.647 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.220 20.164 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.376 22.980 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.487 21.956 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.971 20.561 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.684 22.080 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.401 21.436 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.593 19.891 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.076 19.727 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.249 19.416 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.063 20.913 -13.596 1.00 0.00 H new ATOM 84 N ALA A 6 3.542 21.165 -5.977 1.00 0.00 N ATOM 85 CA ALA A 6 3.990 20.580 -4.716 1.00 0.00 C ATOM 86 C ALA A 6 3.017 19.510 -4.219 1.00 0.00 C ATOM 87 O ALA A 6 3.432 18.461 -3.720 1.00 0.00 O ATOM 88 CB ALA A 6 4.166 21.666 -3.665 1.00 0.00 C ATOM 0 H ALA A 6 3.509 22.184 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 6 4.952 20.098 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.500 21.217 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.909 22.387 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.215 22.174 -3.504 1.00 0.00 H new ATOM 94 N ASN A 7 1.723 19.778 -4.362 1.00 0.00 N ATOM 95 CA ASN A 7 0.696 18.837 -3.926 1.00 0.00 C ATOM 96 C ASN A 7 0.664 17.600 -4.820 1.00 0.00 C ATOM 97 O ASN A 7 0.620 16.471 -4.332 1.00 0.00 O ATOM 98 CB ASN A 7 -0.676 19.514 -3.928 1.00 0.00 C ATOM 99 CG ASN A 7 -0.789 20.600 -2.877 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.543 20.363 -1.693 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.164 21.800 -3.303 1.00 0.00 N ATOM 0 H ASN A 7 1.361 20.637 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 7 0.941 18.520 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.864 19.944 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.448 18.764 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.258 22.570 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.358 21.952 -4.293 1.00 0.00 H new ATOM 108 N LYS A 8 0.689 17.819 -6.131 1.00 0.00 N ATOM 109 CA LYS A 8 0.661 16.720 -7.091 1.00 0.00 C ATOM 110 C LYS A 8 1.960 15.917 -7.030 1.00 0.00 C ATOM 111 O LYS A 8 1.981 14.725 -7.340 1.00 0.00 O ATOM 112 CB LYS A 8 0.399 17.270 -8.507 1.00 0.00 C ATOM 113 CG LYS A 8 1.350 16.767 -9.589 1.00 0.00 C ATOM 114 CD LYS A 8 2.561 17.679 -9.734 1.00 0.00 C ATOM 115 CE LYS A 8 3.867 16.902 -9.666 1.00 0.00 C ATOM 116 NZ LYS A 8 4.668 17.054 -10.912 1.00 0.00 N ATOM 0 H LYS A 8 0.729 18.747 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.152 16.041 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.621 17.014 -8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.457 18.358 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.680 15.758 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.822 16.708 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.504 18.210 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.545 18.432 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.452 17.248 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.653 15.846 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.550 16.510 -10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.120 16.700 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.894 18.058 -11.059 1.00 0.00 H new ATOM 130 N ASP A 9 3.037 16.576 -6.623 1.00 0.00 N ATOM 131 CA ASP A 9 4.336 15.926 -6.512 1.00 0.00 C ATOM 132 C ASP A 9 4.345 14.974 -5.325 1.00 0.00 C ATOM 133 O ASP A 9 4.790 13.831 -5.434 1.00 0.00 O ATOM 134 CB ASP A 9 5.440 16.973 -6.356 1.00 0.00 C ATOM 135 CG ASP A 9 6.824 16.394 -6.574 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.246 16.290 -7.745 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.486 16.046 -5.574 1.00 0.00 O ATOM 0 H ASP A 9 3.036 17.563 -6.364 1.00 0.00 H new ATOM 0 HA ASP A 9 4.521 15.356 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.272 17.782 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.385 17.409 -5.358 1.00 0.00 H new ATOM 142 N LEU A 10 3.846 15.454 -4.191 1.00 0.00 N ATOM 143 CA LEU A 10 3.789 14.649 -2.981 1.00 0.00 C ATOM 144 C LEU A 10 2.878 13.438 -3.174 1.00 0.00 C ATOM 145 O LEU A 10 3.213 12.328 -2.760 1.00 0.00 O ATOM 146 CB LEU A 10 3.295 15.497 -1.805 1.00 0.00 C ATOM 147 CG LEU A 10 4.361 15.848 -0.764 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.878 14.589 -0.086 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.504 16.616 -1.411 1.00 0.00 C ATOM 0 H LEU A 10 3.475 16.398 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 10 4.795 14.290 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.873 16.423 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.485 14.963 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 10 3.906 16.484 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.635 14.857 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.053 14.078 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.317 13.928 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.253 16.858 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.958 16.004 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.121 17.537 -1.850 1.00 0.00 H new ATOM 161 N ILE A 11 1.721 13.658 -3.794 1.00 0.00 N ATOM 162 CA ILE A 11 0.766 12.579 -4.025 1.00 0.00 C ATOM 163 C ILE A 11 1.340 11.510 -4.951 1.00 0.00 C ATOM 164 O ILE A 11 1.312 10.321 -4.629 1.00 0.00 O ATOM 165 CB ILE A 11 -0.551 13.114 -4.623 1.00 0.00 C ATOM 166 CG1 ILE A 11 -1.121 14.231 -3.746 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.564 11.988 -4.777 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.952 15.237 -4.512 1.00 0.00 C ATOM 0 H ILE A 11 1.424 14.569 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 11 0.561 12.130 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.340 13.524 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.734 13.788 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.299 14.751 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.487 12.384 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.160 11.223 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.772 11.549 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.323 15.999 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.337 15.707 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.795 14.730 -4.982 1.00 0.00 H new ATOM 180 N SER A 12 1.857 11.930 -6.103 1.00 0.00 N ATOM 181 CA SER A 12 2.428 10.994 -7.065 1.00 0.00 C ATOM 182 C SER A 12 3.716 10.381 -6.531 1.00 0.00 C ATOM 183 O SER A 12 4.005 9.211 -6.781 1.00 0.00 O ATOM 184 CB SER A 12 2.696 11.699 -8.395 1.00 0.00 C ATOM 185 OG SER A 12 2.353 10.869 -9.491 1.00 0.00 O ATOM 0 H SER A 12 1.892 12.908 -6.391 1.00 0.00 H new ATOM 0 HA SER A 12 1.707 10.192 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.122 12.624 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.749 11.974 -8.459 1.00 0.00 H new ATOM 0 HG SER A 12 2.532 11.344 -10.329 1.00 0.00 H new ATOM 191 N ALA A 13 4.481 11.169 -5.782 1.00 0.00 N ATOM 192 CA ALA A 13 5.726 10.684 -5.206 1.00 0.00 C ATOM 193 C ALA A 13 5.437 9.575 -4.209 1.00 0.00 C ATOM 194 O ALA A 13 6.101 8.538 -4.202 1.00 0.00 O ATOM 195 CB ALA A 13 6.483 11.822 -4.537 1.00 0.00 C ATOM 0 H ALA A 13 4.261 12.140 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 13 6.351 10.284 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.411 11.441 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.711 12.591 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.870 12.250 -3.744 1.00 0.00 H new ATOM 201 N GLY A 14 4.422 9.792 -3.379 1.00 0.00 N ATOM 202 CA GLY A 14 4.041 8.795 -2.402 1.00 0.00 C ATOM 203 C GLY A 14 3.482 7.556 -3.067 1.00 0.00 C ATOM 204 O GLY A 14 3.708 6.436 -2.606 1.00 0.00 O ATOM 0 H GLY A 14 3.858 10.642 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.907 8.526 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.297 9.213 -1.724 1.00 0.00 H new ATOM 208 N LEU A 15 2.757 7.759 -4.166 1.00 0.00 N ATOM 209 CA LEU A 15 2.175 6.648 -4.905 1.00 0.00 C ATOM 210 C LEU A 15 3.278 5.804 -5.537 1.00 0.00 C ATOM 211 O LEU A 15 3.204 4.575 -5.559 1.00 0.00 O ATOM 212 CB LEU A 15 1.241 7.189 -5.994 1.00 0.00 C ATOM 213 CG LEU A 15 -0.256 7.046 -5.706 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.886 8.409 -5.462 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.956 6.334 -6.856 1.00 0.00 C ATOM 0 H LEU A 15 2.561 8.679 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 15 1.604 6.022 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.465 8.244 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.465 6.675 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.376 6.445 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.950 8.287 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.406 8.884 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.754 9.034 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.019 6.241 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.826 6.909 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.525 5.341 -6.986 1.00 0.00 H new ATOM 227 N LYS A 16 4.300 6.480 -6.055 1.00 0.00 N ATOM 228 CA LYS A 16 5.423 5.810 -6.698 1.00 0.00 C ATOM 229 C LYS A 16 6.253 5.035 -5.682 1.00 0.00 C ATOM 230 O LYS A 16 6.510 3.842 -5.854 1.00 0.00 O ATOM 231 CB LYS A 16 6.299 6.843 -7.414 1.00 0.00 C ATOM 232 CG LYS A 16 7.538 6.256 -8.070 1.00 0.00 C ATOM 233 CD LYS A 16 8.737 7.180 -7.925 1.00 0.00 C ATOM 234 CE LYS A 16 9.992 6.409 -7.548 1.00 0.00 C ATOM 235 NZ LYS A 16 11.230 7.171 -7.874 1.00 0.00 N ATOM 0 H LYS A 16 4.372 7.497 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 16 5.030 5.100 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.702 7.346 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.606 7.603 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.766 5.290 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.341 6.077 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.903 7.712 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.528 7.932 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.974 6.185 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.004 5.455 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.064 6.612 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.260 7.363 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.231 8.071 -7.352 1.00 0.00 H new ATOM 249 N GLU A 17 6.674 5.719 -4.623 1.00 0.00 N ATOM 250 CA GLU A 17 7.480 5.098 -3.579 1.00 0.00 C ATOM 251 C GLU A 17 6.784 3.867 -3.005 1.00 0.00 C ATOM 252 O GLU A 17 7.416 2.836 -2.774 1.00 0.00 O ATOM 253 CB GLU A 17 7.764 6.102 -2.462 1.00 0.00 C ATOM 254 CG GLU A 17 8.880 7.079 -2.790 1.00 0.00 C ATOM 255 CD GLU A 17 10.220 6.643 -2.229 1.00 0.00 C ATOM 256 OE1 GLU A 17 10.434 6.809 -1.010 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.054 6.138 -3.009 1.00 0.00 O ATOM 0 H GLU A 17 6.470 6.706 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 17 8.422 4.782 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.854 6.662 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.024 5.558 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.960 7.184 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.626 8.062 -2.393 1.00 0.00 H new ATOM 264 N PHE A 18 5.483 3.986 -2.767 1.00 0.00 N ATOM 265 CA PHE A 18 4.708 2.886 -2.209 1.00 0.00 C ATOM 266 C PHE A 18 4.619 1.713 -3.178 1.00 0.00 C ATOM 267 O PHE A 18 4.769 0.557 -2.780 1.00 0.00 O ATOM 268 CB PHE A 18 3.303 3.359 -1.831 1.00 0.00 C ATOM 269 CG PHE A 18 2.710 2.605 -0.676 1.00 0.00 C ATOM 270 CD1 PHE A 18 1.993 1.438 -0.889 1.00 0.00 C ATOM 271 CD2 PHE A 18 2.870 3.061 0.623 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.446 0.741 0.172 1.00 0.00 C ATOM 273 CE2 PHE A 18 2.325 2.369 1.687 1.00 0.00 C ATOM 274 CZ PHE A 18 1.612 1.208 1.461 1.00 0.00 C ATOM 0 H PHE A 18 4.944 4.832 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 18 5.225 2.544 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.339 4.420 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.648 3.257 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.860 1.069 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.427 3.968 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.890 -0.167 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.456 2.735 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.185 0.666 2.292 1.00 0.00 H new ATOM 284 N SER A 19 4.372 2.008 -4.448 1.00 0.00 N ATOM 285 CA SER A 19 4.259 0.966 -5.464 1.00 0.00 C ATOM 286 C SER A 19 5.544 0.148 -5.560 1.00 0.00 C ATOM 287 O SER A 19 5.503 -1.077 -5.680 1.00 0.00 O ATOM 288 CB SER A 19 3.932 1.585 -6.824 1.00 0.00 C ATOM 289 OG SER A 19 2.837 0.923 -7.435 1.00 0.00 O ATOM 0 H SER A 19 4.246 2.957 -4.800 1.00 0.00 H new ATOM 0 HA SER A 19 3.450 0.298 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.698 2.642 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.805 1.526 -7.474 1.00 0.00 H new ATOM 0 HG SER A 19 2.646 1.338 -8.302 1.00 0.00 H new ATOM 295 N VAL A 20 6.683 0.830 -5.504 1.00 0.00 N ATOM 296 CA VAL A 20 7.976 0.161 -5.582 1.00 0.00 C ATOM 297 C VAL A 20 8.220 -0.674 -4.333 1.00 0.00 C ATOM 298 O VAL A 20 8.736 -1.789 -4.406 1.00 0.00 O ATOM 299 CB VAL A 20 9.135 1.167 -5.740 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.376 0.468 -6.276 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.733 2.324 -6.647 1.00 0.00 C ATOM 0 H VAL A 20 6.737 1.844 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 20 7.948 -0.481 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 20 9.367 1.577 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.184 1.192 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.680 -0.317 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.154 0.027 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.567 3.019 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.467 1.939 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.876 2.843 -6.217 1.00 0.00 H new ATOM 311 N LEU A 21 7.842 -0.120 -3.186 1.00 0.00 N ATOM 312 CA LEU A 21 8.010 -0.798 -1.906 1.00 0.00 C ATOM 313 C LEU A 21 7.317 -2.161 -1.907 1.00 0.00 C ATOM 314 O LEU A 21 7.892 -3.160 -1.479 1.00 0.00 O ATOM 315 CB LEU A 21 7.462 0.090 -0.777 1.00 0.00 C ATOM 316 CG LEU A 21 6.849 -0.647 0.419 1.00 0.00 C ATOM 317 CD1 LEU A 21 7.829 -1.667 0.980 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.429 0.344 1.495 1.00 0.00 C ATOM 0 H LEU A 21 7.414 0.803 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 21 9.073 -0.972 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.272 0.722 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.705 0.752 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 21 5.962 -1.180 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.375 -2.179 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.079 -2.395 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.736 -1.159 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.996 -0.195 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.300 0.905 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.690 1.033 1.086 1.00 0.00 H new ATOM 330 N LEU A 22 6.074 -2.191 -2.368 1.00 0.00 N ATOM 331 CA LEU A 22 5.305 -3.431 -2.402 1.00 0.00 C ATOM 332 C LEU A 22 5.793 -4.368 -3.506 1.00 0.00 C ATOM 333 O LEU A 22 5.820 -5.585 -3.328 1.00 0.00 O ATOM 334 CB LEU A 22 3.820 -3.128 -2.602 1.00 0.00 C ATOM 335 CG LEU A 22 3.271 -1.970 -1.765 1.00 0.00 C ATOM 336 CD1 LEU A 22 2.074 -1.338 -2.459 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.895 -2.447 -0.370 1.00 0.00 C ATOM 0 H LEU A 22 5.576 -1.374 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 22 5.449 -3.932 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.650 -2.906 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.248 -4.026 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 22 4.050 -1.215 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.694 -0.516 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.378 -0.959 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.291 -2.086 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.507 -1.609 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.132 -3.221 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.777 -2.853 0.126 1.00 0.00 H new ATOM 349 N ASN A 23 6.155 -3.798 -4.649 1.00 0.00 N ATOM 350 CA ASN A 23 6.617 -4.586 -5.790 1.00 0.00 C ATOM 351 C ASN A 23 7.944 -5.296 -5.512 1.00 0.00 C ATOM 352 O ASN A 23 8.298 -6.246 -6.209 1.00 0.00 O ATOM 353 CB ASN A 23 6.764 -3.688 -7.021 1.00 0.00 C ATOM 354 CG ASN A 23 5.560 -3.762 -7.938 1.00 0.00 C ATOM 355 OD1 ASN A 23 5.292 -4.798 -8.547 1.00 0.00 O ATOM 356 ND2 ASN A 23 4.828 -2.659 -8.045 1.00 0.00 N ATOM 0 H ASN A 23 6.138 -2.791 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 23 5.866 -5.354 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.909 -2.657 -6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.657 -3.978 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.007 -2.648 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.087 -1.822 -7.522 1.00 0.00 H new ATOM 363 N GLN A 24 8.683 -4.831 -4.510 1.00 0.00 N ATOM 364 CA GLN A 24 9.971 -5.437 -4.184 1.00 0.00 C ATOM 365 C GLN A 24 9.820 -6.594 -3.197 1.00 0.00 C ATOM 366 O GLN A 24 10.430 -6.594 -2.128 1.00 0.00 O ATOM 367 CB GLN A 24 10.934 -4.386 -3.623 1.00 0.00 C ATOM 368 CG GLN A 24 10.389 -3.635 -2.420 1.00 0.00 C ATOM 369 CD GLN A 24 11.465 -2.867 -1.678 1.00 0.00 C ATOM 370 OE1 GLN A 24 12.058 -3.369 -0.724 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.723 -1.638 -2.115 1.00 0.00 N ATOM 0 H GLN A 24 8.417 -4.046 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 24 10.384 -5.840 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.867 -4.875 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.173 -3.670 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.614 -2.942 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.916 -4.342 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.207 -1.261 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.437 -1.073 -1.655 1.00 0.00 H new ATOM 380 N GLN A 25 9.014 -7.585 -3.567 1.00 0.00 N ATOM 381 CA GLN A 25 8.795 -8.757 -2.721 1.00 0.00 C ATOM 382 C GLN A 25 9.439 -9.990 -3.355 1.00 0.00 C ATOM 383 O GLN A 25 9.999 -9.907 -4.448 1.00 0.00 O ATOM 384 CB GLN A 25 7.298 -8.984 -2.501 1.00 0.00 C ATOM 385 CG GLN A 25 6.853 -8.736 -1.070 1.00 0.00 C ATOM 386 CD GLN A 25 7.144 -7.321 -0.606 1.00 0.00 C ATOM 387 OE1 GLN A 25 8.319 -7.120 -0.023 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 6.321 -6.420 -0.770 1.00 0.00 N flip ATOM 0 H GLN A 25 8.500 -7.601 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 25 9.260 -8.582 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.737 -8.328 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.049 -10.008 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.783 -8.929 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.356 -9.442 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.429 -6.620 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.531 -5.474 -0.452 1.00 0.00 H new ATOM 397 N VAL A 26 9.381 -11.129 -2.665 1.00 0.00 N ATOM 398 CA VAL A 26 9.992 -12.350 -3.184 1.00 0.00 C ATOM 399 C VAL A 26 8.987 -13.258 -3.895 1.00 0.00 C ATOM 400 O VAL A 26 8.884 -14.448 -3.597 1.00 0.00 O ATOM 401 CB VAL A 26 10.688 -13.148 -2.065 1.00 0.00 C ATOM 402 CG1 VAL A 26 11.517 -14.279 -2.653 1.00 0.00 C ATOM 403 CG2 VAL A 26 11.552 -12.231 -1.214 1.00 0.00 C ATOM 0 H VAL A 26 8.924 -11.231 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 26 10.731 -12.023 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 26 9.922 -13.585 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.001 -14.832 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.869 -14.951 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.276 -13.866 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.036 -12.812 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.312 -11.763 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.929 -11.459 -0.762 1.00 0.00 H new ATOM 413 N PHE A 27 8.232 -12.675 -4.816 1.00 0.00 N ATOM 414 CA PHE A 27 7.216 -13.433 -5.542 1.00 0.00 C ATOM 415 C PHE A 27 7.871 -14.541 -6.369 1.00 0.00 C ATOM 416 O PHE A 27 8.197 -14.372 -7.544 1.00 0.00 O ATOM 417 CB PHE A 27 6.377 -12.524 -6.435 1.00 0.00 C ATOM 418 CG PHE A 27 5.780 -11.355 -5.709 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.692 -11.529 -4.866 1.00 0.00 C ATOM 420 CD2 PHE A 27 6.298 -10.082 -5.875 1.00 0.00 C ATOM 421 CE1 PHE A 27 4.135 -10.453 -4.201 1.00 0.00 C ATOM 422 CE2 PHE A 27 5.743 -9.002 -5.216 1.00 0.00 C ATOM 423 CZ PHE A 27 4.660 -9.188 -4.378 1.00 0.00 C ATOM 0 H PHE A 27 8.300 -11.692 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 27 6.548 -13.887 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.999 -12.155 -7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.575 -13.110 -6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.276 -12.516 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.146 -9.931 -6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.291 -10.601 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.155 -8.014 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.225 -8.345 -3.862 1.00 0.00 H new ATOM 433 N ASN A 28 8.053 -15.674 -5.697 1.00 0.00 N ATOM 434 CA ASN A 28 8.666 -16.879 -6.259 1.00 0.00 C ATOM 435 C ASN A 28 8.787 -17.914 -5.140 1.00 0.00 C ATOM 436 O ASN A 28 8.556 -19.108 -5.331 1.00 0.00 O ATOM 437 CB ASN A 28 10.044 -16.567 -6.847 1.00 0.00 C ATOM 438 CG ASN A 28 10.591 -17.714 -7.674 1.00 0.00 C ATOM 439 OD1 ASN A 28 9.921 -18.216 -8.578 1.00 0.00 O ATOM 440 ND2 ASN A 28 11.813 -18.135 -7.371 1.00 0.00 N ATOM 0 H ASN A 28 7.772 -15.785 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 28 8.046 -17.266 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.978 -15.674 -7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.739 -16.342 -6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.232 -18.903 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.333 -17.690 -6.614 1.00 0.00 H new ATOM 447 N ASP A 29 9.105 -17.397 -3.958 1.00 0.00 N ATOM 448 CA ASP A 29 9.226 -18.171 -2.730 1.00 0.00 C ATOM 449 C ASP A 29 8.152 -17.675 -1.775 1.00 0.00 C ATOM 450 O ASP A 29 7.651 -16.564 -1.956 1.00 0.00 O ATOM 451 CB ASP A 29 10.617 -18.017 -2.113 1.00 0.00 C ATOM 452 CG ASP A 29 11.512 -19.206 -2.402 1.00 0.00 C ATOM 453 OD1 ASP A 29 11.227 -20.304 -1.882 1.00 0.00 O ATOM 454 OD2 ASP A 29 12.499 -19.038 -3.150 1.00 0.00 O ATOM 0 H ASP A 29 9.290 -16.403 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 29 9.093 -19.233 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.085 -17.111 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.521 -17.891 -1.035 1.00 0.00 H new ATOM 459 N ALA A 30 7.790 -18.440 -0.749 1.00 0.00 N ATOM 460 CA ALA A 30 6.782 -17.982 0.197 1.00 0.00 C ATOM 461 C ALA A 30 7.355 -18.017 1.607 1.00 0.00 C ATOM 462 O ALA A 30 8.337 -18.713 1.861 1.00 0.00 O ATOM 463 CB ALA A 30 5.531 -18.845 0.107 1.00 0.00 C ATOM 0 H ALA A 30 8.173 -19.365 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 30 6.502 -16.958 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.790 -18.487 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.121 -18.787 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.786 -19.880 0.336 1.00 0.00 H new ATOM 469 N LEU A 31 6.743 -17.274 2.523 1.00 0.00 N ATOM 470 CA LEU A 31 7.203 -17.229 3.910 1.00 0.00 C ATOM 471 C LEU A 31 6.424 -16.182 4.695 1.00 0.00 C ATOM 472 O LEU A 31 5.735 -15.348 4.112 1.00 0.00 O ATOM 473 CB LEU A 31 8.710 -16.932 3.985 1.00 0.00 C ATOM 474 CG LEU A 31 9.151 -15.538 3.513 1.00 0.00 C ATOM 475 CD1 LEU A 31 8.361 -15.088 2.292 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.019 -14.526 4.641 1.00 0.00 C ATOM 0 H LEU A 31 5.926 -16.694 2.332 1.00 0.00 H new ATOM 0 HA LEU A 31 7.026 -18.209 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.034 -17.062 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.236 -17.678 3.389 1.00 0.00 H new ATOM 0 HG LEU A 31 10.200 -15.601 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.699 -14.098 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.518 -15.794 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.300 -15.049 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.336 -13.545 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.980 -14.477 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.647 -14.831 5.478 1.00 0.00 H new ATOM 488 N VAL A 32 6.534 -16.238 6.019 1.00 0.00 N ATOM 489 CA VAL A 32 5.837 -15.301 6.895 1.00 0.00 C ATOM 490 C VAL A 32 4.323 -15.425 6.727 1.00 0.00 C ATOM 491 O VAL A 32 3.806 -15.387 5.611 1.00 0.00 O ATOM 492 CB VAL A 32 6.289 -13.837 6.646 1.00 0.00 C ATOM 493 CG1 VAL A 32 5.277 -13.056 5.813 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.539 -13.133 7.970 1.00 0.00 C ATOM 0 H VAL A 32 7.103 -16.927 6.511 1.00 0.00 H new ATOM 0 HA VAL A 32 6.099 -15.560 7.921 1.00 0.00 H new ATOM 0 HB VAL A 32 7.217 -13.874 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.636 -12.038 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.151 -13.541 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.320 -13.031 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.856 -12.107 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.621 -13.128 8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.320 -13.659 8.520 1.00 0.00 H new ATOM 504 N SER A 33 3.618 -15.577 7.845 1.00 0.00 N ATOM 505 CA SER A 33 2.164 -15.713 7.822 1.00 0.00 C ATOM 506 C SER A 33 1.517 -14.562 7.059 1.00 0.00 C ATOM 507 O SER A 33 2.107 -13.493 6.907 1.00 0.00 O ATOM 508 CB SER A 33 1.614 -15.768 9.248 1.00 0.00 C ATOM 509 OG SER A 33 2.138 -16.879 9.956 1.00 0.00 O ATOM 0 H SER A 33 4.029 -15.609 8.778 1.00 0.00 H new ATOM 0 HA SER A 33 1.921 -16.644 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.865 -14.847 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.526 -15.832 9.219 1.00 0.00 H new ATOM 0 HG SER A 33 1.772 -16.890 10.865 1.00 0.00 H new ATOM 515 N GLU A 34 0.298 -14.791 6.579 1.00 0.00 N ATOM 516 CA GLU A 34 -0.434 -13.776 5.830 1.00 0.00 C ATOM 517 C GLU A 34 -0.556 -12.487 6.634 1.00 0.00 C ATOM 518 O GLU A 34 -0.347 -11.393 6.109 1.00 0.00 O ATOM 519 CB GLU A 34 -1.824 -14.294 5.459 1.00 0.00 C ATOM 520 CG GLU A 34 -2.658 -13.293 4.678 1.00 0.00 C ATOM 521 CD GLU A 34 -3.944 -13.894 4.147 1.00 0.00 C ATOM 522 OE1 GLU A 34 -3.872 -14.925 3.445 1.00 0.00 O ATOM 523 OE2 GLU A 34 -5.024 -13.333 4.430 1.00 0.00 O ATOM 0 H GLU A 34 -0.204 -15.671 6.696 1.00 0.00 H new ATOM 0 HA GLU A 34 0.122 -13.560 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.718 -15.204 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.357 -14.565 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.896 -12.445 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.070 -12.908 3.845 1.00 0.00 H new ATOM 530 N GLU A 35 -0.892 -12.626 7.909 1.00 0.00 N ATOM 531 CA GLU A 35 -1.039 -11.472 8.790 1.00 0.00 C ATOM 532 C GLU A 35 0.251 -10.660 8.835 1.00 0.00 C ATOM 533 O GLU A 35 0.221 -9.445 9.018 1.00 0.00 O ATOM 534 CB GLU A 35 -1.420 -11.925 10.201 1.00 0.00 C ATOM 535 CG GLU A 35 -1.826 -10.783 11.118 1.00 0.00 C ATOM 536 CD GLU A 35 -1.181 -10.877 12.487 1.00 0.00 C ATOM 537 OE1 GLU A 35 -0.066 -10.338 12.657 1.00 0.00 O ATOM 538 OE2 GLU A 35 -1.789 -11.490 13.390 1.00 0.00 O ATOM 0 H GLU A 35 -1.068 -13.525 8.358 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.834 -10.840 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.243 -12.637 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.576 -12.453 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.551 -9.835 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.910 -10.780 11.231 1.00 0.00 H new ATOM 545 N ASP A 36 1.382 -11.338 8.660 1.00 0.00 N ATOM 546 CA ASP A 36 2.675 -10.666 8.674 1.00 0.00 C ATOM 547 C ASP A 36 2.757 -9.661 7.533 1.00 0.00 C ATOM 548 O ASP A 36 2.999 -8.475 7.758 1.00 0.00 O ATOM 549 CB ASP A 36 3.813 -11.685 8.574 1.00 0.00 C ATOM 550 CG ASP A 36 4.753 -11.613 9.761 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.729 -10.835 9.700 1.00 0.00 O ATOM 552 OD2 ASP A 36 4.516 -12.338 10.751 1.00 0.00 O ATOM 0 H ASP A 36 1.428 -12.346 8.508 1.00 0.00 H new ATOM 0 HA ASP A 36 2.778 -10.131 9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.394 -12.689 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.375 -11.510 7.657 1.00 0.00 H new ATOM 557 N MET A 37 2.525 -10.133 6.311 1.00 0.00 N ATOM 558 CA MET A 37 2.547 -9.256 5.147 1.00 0.00 C ATOM 559 C MET A 37 1.527 -8.144 5.341 1.00 0.00 C ATOM 560 O MET A 37 1.817 -6.964 5.130 1.00 0.00 O ATOM 561 CB MET A 37 2.233 -10.044 3.875 1.00 0.00 C ATOM 562 CG MET A 37 2.844 -9.438 2.621 1.00 0.00 C ATOM 563 SD MET A 37 4.581 -9.875 2.415 1.00 0.00 S ATOM 564 CE MET A 37 5.263 -8.302 1.898 1.00 0.00 C ATOM 0 H MET A 37 2.321 -11.111 6.103 1.00 0.00 H new ATOM 0 HA MET A 37 3.542 -8.825 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.597 -11.065 3.990 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.152 -10.103 3.751 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.283 -9.774 1.749 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.749 -8.353 2.663 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.352 -8.353 1.918 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.929 -8.076 0.885 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.924 -7.518 2.575 1.00 0.00 H new ATOM 574 N VAL A 38 0.319 -8.542 5.727 1.00 0.00 N ATOM 575 CA VAL A 38 -0.768 -7.599 5.932 1.00 0.00 C ATOM 576 C VAL A 38 -0.367 -6.528 6.940 1.00 0.00 C ATOM 577 O VAL A 38 -0.607 -5.342 6.712 1.00 0.00 O ATOM 578 CB VAL A 38 -2.031 -8.333 6.433 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.156 -7.355 6.740 1.00 0.00 C ATOM 580 CG2 VAL A 38 -2.482 -9.370 5.412 1.00 0.00 C ATOM 0 H VAL A 38 0.070 -9.515 5.904 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.986 -7.122 4.976 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.777 -8.845 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.030 -7.904 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.832 -6.658 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.413 -6.801 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.373 -9.879 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.710 -8.876 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.686 -10.098 5.257 1.00 0.00 H new ATOM 590 N THR A 39 0.260 -6.929 8.042 1.00 0.00 N ATOM 591 CA THR A 39 0.697 -5.965 9.042 1.00 0.00 C ATOM 592 C THR A 39 1.745 -5.036 8.444 1.00 0.00 C ATOM 593 O THR A 39 1.765 -3.838 8.728 1.00 0.00 O ATOM 594 CB THR A 39 1.270 -6.684 10.264 1.00 0.00 C ATOM 595 OG1 THR A 39 0.328 -7.599 10.795 1.00 0.00 O ATOM 596 CG2 THR A 39 1.671 -5.741 11.379 1.00 0.00 C ATOM 0 H THR A 39 0.474 -7.902 8.262 1.00 0.00 H new ATOM 0 HA THR A 39 -0.164 -5.376 9.358 1.00 0.00 H new ATOM 0 HB THR A 39 2.162 -7.198 9.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.422 -8.464 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.069 -6.315 12.215 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.433 -5.052 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.799 -5.176 11.709 1.00 0.00 H new ATOM 604 N VAL A 40 2.613 -5.598 7.604 1.00 0.00 N ATOM 605 CA VAL A 40 3.663 -4.823 6.954 1.00 0.00 C ATOM 606 C VAL A 40 3.066 -3.637 6.202 1.00 0.00 C ATOM 607 O VAL A 40 3.487 -2.496 6.392 1.00 0.00 O ATOM 608 CB VAL A 40 4.485 -5.687 5.978 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.600 -4.867 5.343 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.053 -6.905 6.694 1.00 0.00 C ATOM 0 H VAL A 40 2.608 -6.588 7.359 1.00 0.00 H new ATOM 0 HA VAL A 40 4.329 -4.460 7.737 1.00 0.00 H new ATOM 0 HB VAL A 40 3.824 -6.033 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.169 -5.495 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.169 -4.029 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.262 -4.488 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.631 -7.504 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.699 -6.579 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.236 -7.505 7.096 1.00 0.00 H new ATOM 620 N VAL A 41 2.073 -3.909 5.363 1.00 0.00 N ATOM 621 CA VAL A 41 1.414 -2.851 4.605 1.00 0.00 C ATOM 622 C VAL A 41 0.669 -1.912 5.553 1.00 0.00 C ATOM 623 O VAL A 41 0.555 -0.714 5.297 1.00 0.00 O ATOM 624 CB VAL A 41 0.421 -3.422 3.569 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.282 -2.300 2.818 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.134 -4.351 2.595 1.00 0.00 C ATOM 0 H VAL A 41 1.708 -4.846 5.191 1.00 0.00 H new ATOM 0 HA VAL A 41 2.189 -2.302 4.069 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.333 -3.999 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.976 -2.726 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.831 -1.678 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.457 -1.692 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.416 -4.742 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.913 -3.799 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.584 -5.178 3.144 1.00 0.00 H new ATOM 636 N GLU A 42 0.160 -2.475 6.646 1.00 0.00 N ATOM 637 CA GLU A 42 -0.580 -1.703 7.638 1.00 0.00 C ATOM 638 C GLU A 42 0.312 -0.666 8.316 1.00 0.00 C ATOM 639 O GLU A 42 -0.090 0.485 8.500 1.00 0.00 O ATOM 640 CB GLU A 42 -1.185 -2.636 8.691 1.00 0.00 C ATOM 641 CG GLU A 42 -2.685 -2.457 8.869 1.00 0.00 C ATOM 642 CD GLU A 42 -3.433 -3.776 8.879 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.204 -4.581 9.805 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.248 -4.003 7.959 1.00 0.00 O ATOM 0 H GLU A 42 0.248 -3.467 6.867 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.380 -1.175 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.981 -3.669 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.690 -2.462 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.876 -1.928 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.070 -1.831 8.064 1.00 0.00 H new ATOM 651 N ASP A 43 1.523 -1.073 8.687 1.00 0.00 N ATOM 652 CA ASP A 43 2.455 -0.164 9.344 1.00 0.00 C ATOM 653 C ASP A 43 3.014 0.846 8.349 1.00 0.00 C ATOM 654 O ASP A 43 3.188 2.020 8.677 1.00 0.00 O ATOM 655 CB ASP A 43 3.593 -0.934 10.019 1.00 0.00 C ATOM 656 CG ASP A 43 4.315 -1.871 9.074 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.892 -1.385 8.079 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.308 -3.091 9.335 1.00 0.00 O ATOM 0 H ASP A 43 1.879 -2.018 8.545 1.00 0.00 H new ATOM 0 HA ASP A 43 1.906 0.376 10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.308 -0.224 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.191 -1.508 10.854 1.00 0.00 H new ATOM 663 N TRP A 44 3.295 0.394 7.132 1.00 0.00 N ATOM 664 CA TRP A 44 3.827 1.289 6.115 1.00 0.00 C ATOM 665 C TRP A 44 2.814 2.384 5.804 1.00 0.00 C ATOM 666 O TRP A 44 3.151 3.568 5.782 1.00 0.00 O ATOM 667 CB TRP A 44 4.161 0.512 4.839 1.00 0.00 C ATOM 668 CG TRP A 44 5.396 -0.328 4.956 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.418 -0.168 5.847 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.740 -1.461 4.150 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.375 -1.133 5.644 1.00 0.00 N ATOM 672 CE2 TRP A 44 6.982 -1.938 4.608 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.117 -2.118 3.085 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.611 -3.042 4.039 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.743 -3.214 2.520 1.00 0.00 C ATOM 676 CH2 TRP A 44 6.980 -3.667 2.998 1.00 0.00 C ATOM 0 H TRP A 44 3.165 -0.572 6.830 1.00 0.00 H new ATOM 0 HA TRP A 44 4.741 1.744 6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.318 -0.130 4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.287 1.216 4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.467 0.604 6.601 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.238 -1.233 6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.164 -1.776 2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.564 -3.393 4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.271 -3.729 1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.444 -4.526 2.536 1.00 0.00 H new ATOM 687 N MET A 45 1.572 1.979 5.552 1.00 0.00 N ATOM 688 CA MET A 45 0.508 2.922 5.230 1.00 0.00 C ATOM 689 C MET A 45 0.271 3.909 6.366 1.00 0.00 C ATOM 690 O MET A 45 0.206 5.117 6.145 1.00 0.00 O ATOM 691 CB MET A 45 -0.786 2.166 4.917 1.00 0.00 C ATOM 692 CG MET A 45 -1.961 3.072 4.584 1.00 0.00 C ATOM 693 SD MET A 45 -3.552 2.303 4.936 1.00 0.00 S ATOM 694 CE MET A 45 -3.324 0.692 4.186 1.00 0.00 C ATOM 0 H MET A 45 1.279 1.002 5.565 1.00 0.00 H new ATOM 0 HA MET A 45 0.820 3.489 4.353 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.609 1.493 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.049 1.545 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.875 3.997 5.154 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.918 3.343 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.294 0.214 4.049 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.836 0.807 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.703 0.074 4.834 1.00 0.00 H new ATOM 704 N ASN A 46 0.140 3.392 7.580 1.00 0.00 N ATOM 705 CA ASN A 46 -0.095 4.242 8.740 1.00 0.00 C ATOM 706 C ASN A 46 1.097 5.169 8.975 1.00 0.00 C ATOM 707 O ASN A 46 0.926 6.353 9.266 1.00 0.00 O ATOM 708 CB ASN A 46 -0.396 3.384 9.982 1.00 0.00 C ATOM 709 CG ASN A 46 0.789 3.219 10.918 1.00 0.00 C ATOM 710 OD1 ASN A 46 1.849 2.740 10.521 1.00 0.00 O ATOM 711 ND2 ASN A 46 0.607 3.612 12.173 1.00 0.00 N ATOM 0 H ASN A 46 0.192 2.395 7.787 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.967 4.867 8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.221 3.836 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.731 2.398 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.364 3.522 12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.290 4.004 12.460 1.00 0.00 H new ATOM 718 N PHE A 47 2.302 4.624 8.838 1.00 0.00 N ATOM 719 CA PHE A 47 3.517 5.406 9.025 1.00 0.00 C ATOM 720 C PHE A 47 3.608 6.512 7.979 1.00 0.00 C ATOM 721 O PHE A 47 4.086 7.612 8.261 1.00 0.00 O ATOM 722 CB PHE A 47 4.749 4.496 8.939 1.00 0.00 C ATOM 723 CG PHE A 47 6.057 5.238 8.928 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.515 5.844 7.769 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.828 5.328 10.076 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.717 6.526 7.755 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.032 6.008 10.068 1.00 0.00 C ATOM 728 CZ PHE A 47 8.476 6.608 8.906 1.00 0.00 C ATOM 0 H PHE A 47 2.462 3.645 8.599 1.00 0.00 H new ATOM 0 HA PHE A 47 3.484 5.865 10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.740 3.808 9.785 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.679 3.891 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.926 5.783 6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.485 4.862 10.988 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.062 6.994 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.624 6.070 10.969 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.415 7.141 8.897 1.00 0.00 H new ATOM 738 N TYR A 48 3.145 6.212 6.771 1.00 0.00 N ATOM 739 CA TYR A 48 3.172 7.177 5.678 1.00 0.00 C ATOM 740 C TYR A 48 2.194 8.319 5.932 1.00 0.00 C ATOM 741 O TYR A 48 2.549 9.490 5.804 1.00 0.00 O ATOM 742 CB TYR A 48 2.841 6.488 4.353 1.00 0.00 C ATOM 743 CG TYR A 48 4.062 6.091 3.555 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.948 7.050 3.082 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.328 4.756 3.275 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.065 6.691 2.352 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.443 4.390 2.546 1.00 0.00 C ATOM 748 CZ TYR A 48 6.308 5.360 2.087 1.00 0.00 C ATOM 749 OH TYR A 48 7.419 5.000 1.359 1.00 0.00 O ATOM 0 H TYR A 48 2.746 5.307 6.523 1.00 0.00 H new ATOM 0 HA TYR A 48 4.178 7.594 5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.244 5.598 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.225 7.155 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.761 8.094 3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.653 3.993 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.744 7.449 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.636 3.348 2.337 1.00 0.00 H new ATOM 0 HH TYR A 48 7.445 4.025 1.262 1.00 0.00 H new ATOM 759 N ILE A 49 0.961 7.974 6.290 1.00 0.00 N ATOM 760 CA ILE A 49 -0.063 8.978 6.559 1.00 0.00 C ATOM 761 C ILE A 49 0.377 9.923 7.674 1.00 0.00 C ATOM 762 O ILE A 49 0.279 11.143 7.539 1.00 0.00 O ATOM 763 CB ILE A 49 -1.406 8.321 6.943 1.00 0.00 C ATOM 764 CG1 ILE A 49 -1.911 7.438 5.799 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.444 9.378 7.297 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.307 8.214 4.562 1.00 0.00 C ATOM 0 H ILE A 49 0.647 7.010 6.400 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.202 9.549 5.641 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.243 7.697 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.133 6.721 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.769 6.863 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.382 8.892 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.088 9.969 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.605 10.031 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.654 7.522 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.107 8.912 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.446 8.768 4.189 1.00 0.00 H new ATOM 778 N ASN A 50 0.857 9.354 8.775 1.00 0.00 N ATOM 779 CA ASN A 50 1.308 10.149 9.911 1.00 0.00 C ATOM 780 C ASN A 50 2.448 11.081 9.511 1.00 0.00 C ATOM 781 O ASN A 50 2.430 12.271 9.828 1.00 0.00 O ATOM 782 CB ASN A 50 1.759 9.234 11.052 1.00 0.00 C ATOM 783 CG ASN A 50 0.604 8.784 11.924 1.00 0.00 C ATOM 784 OD1 ASN A 50 0.159 9.514 12.810 1.00 0.00 O ATOM 785 ND2 ASN A 50 0.111 7.576 11.677 1.00 0.00 N ATOM 0 H ASN A 50 0.944 8.346 8.904 1.00 0.00 H new ATOM 0 HA ASN A 50 0.470 10.758 10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.259 8.359 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.491 9.758 11.666 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.667 7.220 12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.511 7.005 10.933 1.00 0.00 H new ATOM 792 N TYR A 51 3.440 10.534 8.814 1.00 0.00 N ATOM 793 CA TYR A 51 4.588 11.319 8.374 1.00 0.00 C ATOM 794 C TYR A 51 4.162 12.415 7.402 1.00 0.00 C ATOM 795 O TYR A 51 4.529 13.578 7.563 1.00 0.00 O ATOM 796 CB TYR A 51 5.627 10.412 7.713 1.00 0.00 C ATOM 797 CG TYR A 51 7.035 10.960 7.766 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.503 11.824 6.784 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.897 10.614 8.800 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.789 12.327 6.828 1.00 0.00 C ATOM 801 CE2 TYR A 51 9.185 11.114 8.853 1.00 0.00 C ATOM 802 CZ TYR A 51 9.626 11.970 7.864 1.00 0.00 C ATOM 803 OH TYR A 51 10.907 12.469 7.913 1.00 0.00 O ATOM 0 H TYR A 51 3.472 9.551 8.542 1.00 0.00 H new ATOM 0 HA TYR A 51 5.030 11.791 9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.608 9.437 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.347 10.253 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.850 12.108 5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.555 9.944 9.575 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.137 12.996 6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.842 10.836 9.664 1.00 0.00 H new ATOM 0 HH TYR A 51 11.364 12.120 8.707 1.00 0.00 H new ATOM 813 N TYR A 52 3.384 12.035 6.393 1.00 0.00 N ATOM 814 CA TYR A 52 2.910 12.986 5.395 1.00 0.00 C ATOM 815 C TYR A 52 2.042 14.059 6.040 1.00 0.00 C ATOM 816 O TYR A 52 2.087 15.226 5.651 1.00 0.00 O ATOM 817 CB TYR A 52 2.119 12.261 4.304 1.00 0.00 C ATOM 818 CG TYR A 52 2.990 11.670 3.218 1.00 0.00 C ATOM 819 CD1 TYR A 52 4.006 12.416 2.633 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.797 10.368 2.778 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.804 11.880 1.642 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.591 9.823 1.786 1.00 0.00 C ATOM 823 CZ TYR A 52 4.593 10.584 1.221 1.00 0.00 C ATOM 824 OH TYR A 52 5.387 10.047 0.234 1.00 0.00 O ATOM 0 H TYR A 52 3.069 11.076 6.246 1.00 0.00 H new ATOM 0 HA TYR A 52 3.778 13.467 4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.531 11.465 4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.414 12.959 3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.174 13.432 2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.013 9.770 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.590 12.473 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.428 8.808 1.456 1.00 0.00 H new ATOM 0 HH TYR A 52 5.466 9.079 0.368 1.00 0.00 H new ATOM 834 N ARG A 53 1.254 13.657 7.033 1.00 0.00 N ATOM 835 CA ARG A 53 0.374 14.583 7.739 1.00 0.00 C ATOM 836 C ARG A 53 1.151 15.791 8.252 1.00 0.00 C ATOM 837 O ARG A 53 0.651 16.915 8.243 1.00 0.00 O ATOM 838 CB ARG A 53 -0.314 13.869 8.905 1.00 0.00 C ATOM 839 CG ARG A 53 -1.336 14.730 9.629 1.00 0.00 C ATOM 840 CD ARG A 53 -2.591 14.925 8.794 1.00 0.00 C ATOM 841 NE ARG A 53 -3.617 15.669 9.520 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.538 16.970 9.788 1.00 0.00 C ATOM 843 NH1 ARG A 53 -2.490 17.676 9.380 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.509 17.569 10.463 1.00 0.00 N ATOM 0 H ARG A 53 1.207 12.695 7.367 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.382 14.935 7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.807 12.972 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.443 13.542 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.598 14.264 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.897 15.701 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.338 15.456 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.987 13.953 8.500 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.442 15.162 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.741 17.221 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.434 18.673 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.318 17.033 10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.448 18.566 10.668 1.00 0.00 H new ATOM 858 N GLN A 54 2.377 15.547 8.701 1.00 0.00 N ATOM 859 CA GLN A 54 3.228 16.610 9.223 1.00 0.00 C ATOM 860 C GLN A 54 4.069 17.241 8.113 1.00 0.00 C ATOM 861 O GLN A 54 4.476 18.399 8.214 1.00 0.00 O ATOM 862 CB GLN A 54 4.143 16.057 10.319 1.00 0.00 C ATOM 863 CG GLN A 54 4.163 16.903 11.581 1.00 0.00 C ATOM 864 CD GLN A 54 5.441 16.732 12.378 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.406 16.434 13.572 1.00 0.00 O ATOM 866 NE2 GLN A 54 6.580 16.918 11.719 1.00 0.00 N ATOM 0 H GLN A 54 2.804 14.621 8.714 1.00 0.00 H new ATOM 0 HA GLN A 54 2.584 17.383 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.821 15.047 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.158 15.979 9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.045 17.953 11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.311 16.636 12.206 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.562 17.164 10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.472 16.815 12.203 1.00 0.00 H new ATOM 875 N GLN A 55 4.334 16.471 7.064 1.00 0.00 N ATOM 876 CA GLN A 55 5.138 16.953 5.944 1.00 0.00 C ATOM 877 C GLN A 55 4.328 17.843 5.003 1.00 0.00 C ATOM 878 O GLN A 55 4.896 18.600 4.216 1.00 0.00 O ATOM 879 CB GLN A 55 5.723 15.772 5.168 1.00 0.00 C ATOM 880 CG GLN A 55 6.976 15.189 5.799 1.00 0.00 C ATOM 881 CD GLN A 55 8.162 16.130 5.718 1.00 0.00 C ATOM 882 OE1 GLN A 55 8.279 17.021 6.696 1.00 0.00 O flip ATOM 883 NE2 GLN A 55 8.964 16.058 4.788 1.00 0.00 N flip ATOM 0 H GLN A 55 4.005 15.511 6.964 1.00 0.00 H new ATOM 0 HA GLN A 55 5.947 17.555 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.968 14.990 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.954 16.094 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.776 14.952 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.226 14.252 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.836 15.358 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.757 16.698 4.748 1.00 0.00 H new ATOM 892 N VAL A 56 3.002 17.754 5.081 1.00 0.00 N ATOM 893 CA VAL A 56 2.140 18.560 4.223 1.00 0.00 C ATOM 894 C VAL A 56 2.209 20.041 4.607 1.00 0.00 C ATOM 895 O VAL A 56 2.996 20.797 4.037 1.00 0.00 O ATOM 896 CB VAL A 56 0.673 18.073 4.269 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.213 18.948 3.392 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.578 16.615 3.842 1.00 0.00 C ATOM 0 H VAL A 56 2.505 17.137 5.724 1.00 0.00 H new ATOM 0 HA VAL A 56 2.507 18.443 3.203 1.00 0.00 H new ATOM 0 HB VAL A 56 0.320 18.152 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.241 18.588 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.173 19.978 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.140 18.906 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.462 16.291 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.953 16.509 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.175 15.999 4.515 1.00 0.00 H new ATOM 908 N THR A 57 1.365 20.450 5.560 1.00 0.00 N ATOM 909 CA THR A 57 1.301 21.841 6.017 1.00 0.00 C ATOM 910 C THR A 57 0.325 22.635 5.148 1.00 0.00 C ATOM 911 O THR A 57 -0.430 22.054 4.369 1.00 0.00 O ATOM 912 CB THR A 57 2.688 22.501 6.015 1.00 0.00 C ATOM 913 OG1 THR A 57 3.703 21.540 6.246 1.00 0.00 O ATOM 914 CG2 THR A 57 2.844 23.580 7.066 1.00 0.00 C ATOM 0 H THR A 57 0.710 19.829 6.034 1.00 0.00 H new ATOM 0 HA THR A 57 0.941 21.841 7.046 1.00 0.00 H new ATOM 0 HB THR A 57 2.784 22.955 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.043 21.211 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.847 24.003 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.108 24.366 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.689 23.149 8.055 1.00 0.00 H new ATOM 922 N GLY A 58 0.328 23.959 5.289 1.00 0.00 N ATOM 923 CA GLY A 58 -0.581 24.783 4.512 1.00 0.00 C ATOM 924 C GLY A 58 -1.972 24.803 5.114 1.00 0.00 C ATOM 925 O GLY A 58 -2.180 24.282 6.208 1.00 0.00 O ATOM 0 H GLY A 58 0.940 24.472 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.193 25.800 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.632 24.406 3.491 1.00 0.00 H new ATOM 929 N GLU A 59 -2.929 25.402 4.410 1.00 0.00 N ATOM 930 CA GLU A 59 -4.300 25.475 4.902 1.00 0.00 C ATOM 931 C GLU A 59 -4.854 24.081 5.187 1.00 0.00 C ATOM 932 O GLU A 59 -4.260 23.076 4.796 1.00 0.00 O ATOM 933 CB GLU A 59 -5.186 26.195 3.882 1.00 0.00 C ATOM 934 CG GLU A 59 -5.471 27.645 4.240 1.00 0.00 C ATOM 935 CD GLU A 59 -6.183 28.390 3.128 1.00 0.00 C ATOM 936 OE1 GLU A 59 -5.749 28.272 1.962 1.00 0.00 O ATOM 937 OE2 GLU A 59 -7.173 29.091 3.422 1.00 0.00 O ATOM 0 H GLU A 59 -2.781 25.842 3.502 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.298 26.038 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.704 26.159 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.131 25.659 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.080 27.680 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.533 28.150 4.468 1.00 0.00 H new ATOM 944 N PRO A 60 -6.006 24.000 5.878 1.00 0.00 N ATOM 945 CA PRO A 60 -6.634 22.718 6.214 1.00 0.00 C ATOM 946 C PRO A 60 -7.069 21.939 4.981 1.00 0.00 C ATOM 947 O PRO A 60 -7.110 20.710 5.001 1.00 0.00 O ATOM 948 CB PRO A 60 -7.851 23.117 7.056 1.00 0.00 C ATOM 949 CG PRO A 60 -8.121 24.537 6.697 1.00 0.00 C ATOM 950 CD PRO A 60 -6.782 25.144 6.387 1.00 0.00 C ATOM 0 HA PRO A 60 -5.942 22.056 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.710 22.484 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.645 23.012 8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.788 24.603 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.607 25.062 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.862 25.939 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.322 25.580 7.274 1.00 0.00 H new ATOM 958 N GLN A 61 -7.382 22.650 3.902 1.00 0.00 N ATOM 959 CA GLN A 61 -7.796 22.002 2.668 1.00 0.00 C ATOM 960 C GLN A 61 -6.621 21.258 2.048 1.00 0.00 C ATOM 961 O GLN A 61 -6.740 20.096 1.662 1.00 0.00 O ATOM 962 CB GLN A 61 -8.345 23.035 1.681 1.00 0.00 C ATOM 963 CG GLN A 61 -8.823 22.431 0.371 1.00 0.00 C ATOM 964 CD GLN A 61 -10.307 22.114 0.383 1.00 0.00 C ATOM 965 OE1 GLN A 61 -10.764 21.255 1.136 1.00 0.00 O ATOM 966 NE2 GLN A 61 -11.066 22.809 -0.457 1.00 0.00 N ATOM 0 H GLN A 61 -7.356 23.669 3.859 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.586 21.287 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.173 23.568 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.570 23.772 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.609 23.123 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.262 21.519 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.644 23.512 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.071 22.640 -0.496 1.00 0.00 H new ATOM 975 N GLU A 62 -5.484 21.940 1.957 1.00 0.00 N ATOM 976 CA GLU A 62 -4.281 21.349 1.388 1.00 0.00 C ATOM 977 C GLU A 62 -3.870 20.102 2.164 1.00 0.00 C ATOM 978 O GLU A 62 -3.461 19.099 1.577 1.00 0.00 O ATOM 979 CB GLU A 62 -3.138 22.367 1.393 1.00 0.00 C ATOM 980 CG GLU A 62 -2.216 22.252 0.188 1.00 0.00 C ATOM 981 CD GLU A 62 -1.977 23.585 -0.493 1.00 0.00 C ATOM 982 OE1 GLU A 62 -2.840 24.006 -1.294 1.00 0.00 O ATOM 983 OE2 GLU A 62 -0.929 24.209 -0.228 1.00 0.00 O ATOM 0 H GLU A 62 -5.372 22.904 2.271 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.498 21.060 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.558 23.372 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.551 22.238 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.261 21.834 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.647 21.554 -0.529 1.00 0.00 H new ATOM 990 N ARG A 63 -3.983 20.170 3.487 1.00 0.00 N ATOM 991 CA ARG A 63 -3.624 19.045 4.342 1.00 0.00 C ATOM 992 C ARG A 63 -4.669 17.938 4.248 1.00 0.00 C ATOM 993 O ARG A 63 -4.347 16.786 3.959 1.00 0.00 O ATOM 994 CB ARG A 63 -3.492 19.505 5.796 1.00 0.00 C ATOM 995 CG ARG A 63 -2.161 20.164 6.113 1.00 0.00 C ATOM 996 CD ARG A 63 -2.031 20.461 7.599 1.00 0.00 C ATOM 997 NE ARG A 63 -1.265 21.678 7.851 1.00 0.00 N ATOM 998 CZ ARG A 63 -0.700 21.971 9.021 1.00 0.00 C ATOM 999 NH1 ARG A 63 -0.821 21.140 10.049 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -0.017 23.098 9.165 1.00 0.00 N ATOM 0 H ARG A 63 -4.320 20.991 3.989 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.666 18.653 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.296 20.206 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.627 18.645 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.346 19.512 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.067 21.090 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.024 20.561 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.548 19.620 8.095 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.156 22.343 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.348 20.273 9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.387 21.368 10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.076 23.742 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.415 23.321 10.061 1.00 0.00 H new ATOM 1014 N ASP A 64 -5.920 18.298 4.508 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.020 17.339 4.468 1.00 0.00 C ATOM 1016 C ASP A 64 -7.130 16.669 3.102 1.00 0.00 C ATOM 1017 O ASP A 64 -7.419 15.476 3.010 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.339 18.034 4.813 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.388 17.064 5.320 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.315 16.677 6.505 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.281 16.690 4.532 1.00 0.00 O ATOM 0 H ASP A 64 -6.200 19.249 4.749 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.812 16.566 5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.157 18.797 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.719 18.546 3.929 1.00 0.00 H new ATOM 1026 N LYS A 65 -6.906 17.440 2.045 1.00 0.00 N ATOM 1027 CA LYS A 65 -6.992 16.916 0.685 1.00 0.00 C ATOM 1028 C LYS A 65 -5.813 16.006 0.368 1.00 0.00 C ATOM 1029 O LYS A 65 -5.988 14.909 -0.161 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.052 18.065 -0.323 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.570 17.648 -1.691 1.00 0.00 C ATOM 1032 CD LYS A 65 -6.468 17.677 -2.739 1.00 0.00 C ATOM 1033 CE LYS A 65 -6.435 19.005 -3.477 1.00 0.00 C ATOM 1034 NZ LYS A 65 -5.601 20.013 -2.766 1.00 0.00 N ATOM 0 H LYS A 65 -6.664 18.429 2.102 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.906 16.326 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.692 18.853 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.055 18.491 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.990 16.644 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.378 18.314 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.505 17.502 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.621 16.867 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.042 18.852 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.451 19.385 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.604 20.905 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.990 20.178 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.626 19.661 -2.684 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.614 16.464 0.693 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.410 15.683 0.441 1.00 0.00 C ATOM 1050 C ALA A 66 -3.447 14.375 1.221 1.00 0.00 C ATOM 1051 O ALA A 66 -3.026 13.326 0.727 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.172 16.487 0.805 1.00 0.00 C ATOM 0 H ALA A 66 -4.447 17.370 1.131 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.368 15.446 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.281 15.890 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.138 17.395 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.208 16.753 1.862 1.00 0.00 H new ATOM 1058 N LEU A 67 -3.955 14.448 2.445 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.050 13.277 3.306 1.00 0.00 C ATOM 1060 C LEU A 67 -5.073 12.283 2.771 1.00 0.00 C ATOM 1061 O LEU A 67 -4.810 11.081 2.710 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.427 13.697 4.729 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.243 13.990 5.652 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.450 12.722 5.923 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.348 15.063 5.048 1.00 0.00 C ATOM 0 H LEU A 67 -4.308 15.308 2.864 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.075 12.790 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.055 14.586 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.031 12.908 5.177 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.631 14.361 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.612 12.951 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.095 11.984 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.073 12.320 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.511 15.258 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.969 14.721 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.922 15.979 4.908 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.242 12.785 2.382 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.293 11.926 1.853 1.00 0.00 C ATOM 1079 C GLN A 68 -6.850 11.284 0.543 1.00 0.00 C ATOM 1080 O GLN A 68 -7.228 10.153 0.234 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.594 12.719 1.661 1.00 0.00 C ATOM 1082 CG GLN A 68 -8.628 13.579 0.405 1.00 0.00 C ATOM 1083 CD GLN A 68 -9.665 13.108 -0.597 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -10.658 12.481 -0.230 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -9.436 13.410 -1.870 1.00 0.00 N ATOM 0 H GLN A 68 -6.483 13.775 2.423 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.484 11.131 2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.430 12.020 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.746 13.360 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.839 14.612 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.644 13.569 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.598 13.932 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.098 13.120 -2.590 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.035 12.009 -0.216 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.529 11.502 -1.482 1.00 0.00 C ATOM 1096 C GLU A 69 -4.546 10.369 -1.235 1.00 0.00 C ATOM 1097 O GLU A 69 -4.557 9.357 -1.935 1.00 0.00 O ATOM 1098 CB GLU A 69 -4.857 12.623 -2.279 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.836 13.476 -3.070 1.00 0.00 C ATOM 1100 CD GLU A 69 -5.262 13.949 -4.390 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.157 13.123 -5.322 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -4.918 15.145 -4.494 1.00 0.00 O ATOM 0 H GLU A 69 -5.713 12.946 0.024 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.368 11.121 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.302 13.263 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.132 12.186 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.743 12.902 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.124 14.341 -2.472 1.00 0.00 H new ATOM 1109 N LEU A 70 -3.705 10.541 -0.220 1.00 0.00 N ATOM 1110 CA LEU A 70 -2.726 9.524 0.134 1.00 0.00 C ATOM 1111 C LEU A 70 -3.434 8.271 0.636 1.00 0.00 C ATOM 1112 O LEU A 70 -3.180 7.166 0.164 1.00 0.00 O ATOM 1113 CB LEU A 70 -1.778 10.054 1.211 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.294 9.790 0.960 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.045 8.315 0.677 1.00 0.00 C ATOM 1116 CD2 LEU A 70 0.214 10.650 -0.187 1.00 0.00 C ATOM 0 H LEU A 70 -3.683 11.373 0.369 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.145 9.273 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.928 11.129 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.053 9.607 2.166 1.00 0.00 H new ATOM 0 HG LEU A 70 0.257 10.058 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.018 8.153 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.367 7.721 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.608 8.014 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.273 10.449 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.345 10.416 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.079 11.703 0.060 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.327 8.449 1.600 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.070 7.325 2.153 1.00 0.00 C ATOM 1130 C ARG A 71 -5.834 6.605 1.046 1.00 0.00 C ATOM 1131 O ARG A 71 -5.985 5.383 1.070 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.037 7.808 3.235 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.219 6.819 4.375 1.00 0.00 C ATOM 1134 CD ARG A 71 -7.234 7.319 5.391 1.00 0.00 C ATOM 1135 NE ARG A 71 -6.611 8.128 6.437 1.00 0.00 N ATOM 1136 CZ ARG A 71 -6.407 9.440 6.342 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -6.777 10.103 5.252 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -5.830 10.094 7.342 1.00 0.00 N ATOM 0 H ARG A 71 -4.553 9.354 2.013 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.364 6.627 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.674 8.753 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.007 8.008 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.545 5.859 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.262 6.651 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.996 7.909 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.741 6.468 5.845 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.314 7.658 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.221 9.607 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.617 11.108 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.543 9.591 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.673 11.099 7.271 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.311 7.377 0.073 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.058 6.819 -1.047 1.00 0.00 C ATOM 1154 C GLN A 72 -6.138 6.050 -1.990 1.00 0.00 C ATOM 1155 O GLN A 72 -6.414 4.900 -2.339 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.784 7.926 -1.812 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.631 7.412 -2.966 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.927 6.778 -2.500 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.984 5.577 -2.237 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.976 7.585 -2.399 1.00 0.00 N ATOM 0 H GLN A 72 -6.193 8.390 0.039 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.796 6.125 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.422 8.476 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.049 8.632 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.857 8.237 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.057 6.681 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.882 8.575 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.876 7.216 -2.093 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.040 6.681 -2.396 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.088 6.037 -3.293 1.00 0.00 C ATOM 1171 C GLU A 73 -3.545 4.761 -2.658 1.00 0.00 C ATOM 1172 O GLU A 73 -3.364 3.746 -3.329 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.940 6.993 -3.648 1.00 0.00 C ATOM 1174 CG GLU A 73 -1.971 7.261 -2.506 1.00 0.00 C ATOM 1175 CD GLU A 73 -0.867 6.225 -2.405 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -0.941 5.201 -3.119 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.075 6.438 -1.614 1.00 0.00 O ATOM 0 H GLU A 73 -4.789 7.630 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.607 5.775 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.385 6.579 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.362 7.941 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.525 8.246 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.524 7.286 -1.567 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.279 4.828 -1.359 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.747 3.690 -0.624 1.00 0.00 C ATOM 1186 C LEU A 74 -3.736 2.532 -0.574 1.00 0.00 C ATOM 1187 O LEU A 74 -3.356 1.390 -0.803 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.357 4.113 0.793 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.147 5.045 0.871 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.121 5.782 2.199 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.141 4.261 0.669 1.00 0.00 C ATOM 0 H LEU A 74 -3.424 5.663 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.861 3.342 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.210 4.607 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.148 3.219 1.380 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.231 5.784 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.252 6.439 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.029 6.375 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.063 5.061 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.993 4.939 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.229 3.500 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.125 3.782 -0.310 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.996 2.809 -0.253 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.987 1.741 -0.170 1.00 0.00 C ATOM 1205 C ASN A 75 -6.241 1.113 -1.536 1.00 0.00 C ATOM 1206 O ASN A 75 -6.538 -0.077 -1.635 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.297 2.247 0.444 1.00 0.00 C ATOM 1208 CG ASN A 75 -8.039 3.238 -0.435 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -8.025 3.142 -1.661 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -8.706 4.198 0.197 1.00 0.00 N ATOM 0 H ASN A 75 -5.350 3.744 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.581 0.970 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.947 1.395 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.081 2.717 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.232 4.890 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.692 4.243 1.216 1.00 0.00 H new ATOM 1217 N THR A 76 -6.111 1.912 -2.584 1.00 0.00 N ATOM 1218 CA THR A 76 -6.317 1.417 -3.939 1.00 0.00 C ATOM 1219 C THR A 76 -5.054 0.737 -4.456 1.00 0.00 C ATOM 1220 O THR A 76 -5.122 -0.174 -5.281 1.00 0.00 O ATOM 1221 CB THR A 76 -6.731 2.555 -4.877 1.00 0.00 C ATOM 1222 OG1 THR A 76 -7.083 2.050 -6.152 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.650 3.591 -5.075 1.00 0.00 C ATOM 0 H THR A 76 -5.865 2.900 -2.525 1.00 0.00 H new ATOM 0 HA THR A 76 -7.123 0.683 -3.914 1.00 0.00 H new ATOM 0 HB THR A 76 -7.583 3.033 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.346 2.791 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.010 4.368 -5.750 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.392 4.036 -4.114 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.767 3.118 -5.504 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.904 1.177 -3.956 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.629 0.600 -4.360 1.00 0.00 C ATOM 1233 C LEU A 77 -2.377 -0.708 -3.616 1.00 0.00 C ATOM 1234 O LEU A 77 -1.907 -1.685 -4.197 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.484 1.583 -4.093 1.00 0.00 C ATOM 1236 CG LEU A 77 -1.267 2.655 -5.168 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.042 3.391 -4.926 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -1.277 2.034 -6.558 1.00 0.00 C ATOM 0 H LEU A 77 -3.830 1.930 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.671 0.395 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.671 2.081 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.560 1.015 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.086 3.371 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.182 4.148 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.014 3.870 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.869 2.682 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.121 2.812 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.479 1.295 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.238 1.550 -6.733 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.694 -0.717 -2.323 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.503 -1.904 -1.496 1.00 0.00 C ATOM 1252 C ALA A 78 -3.514 -2.995 -1.841 1.00 0.00 C ATOM 1253 O ALA A 78 -3.300 -4.168 -1.534 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.602 -1.538 -0.022 1.00 0.00 C ATOM 0 H ALA A 78 -3.084 0.084 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.507 -2.298 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.458 -2.432 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.834 -0.805 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.586 -1.115 0.183 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.626 -2.604 -2.458 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.672 -3.556 -2.813 1.00 0.00 C ATOM 1262 C ASN A 79 -5.139 -4.647 -3.742 1.00 0.00 C ATOM 1263 O ASN A 79 -5.243 -5.833 -3.429 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.846 -2.832 -3.476 1.00 0.00 C ATOM 1265 CG ASN A 79 -8.188 -3.390 -3.046 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.592 -4.470 -3.478 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.887 -2.654 -2.189 1.00 0.00 N ATOM 0 H ASN A 79 -4.825 -1.639 -2.721 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.016 -4.031 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.801 -1.771 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.753 -2.911 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.798 -2.978 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.513 -1.765 -1.857 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.560 -4.275 -4.896 1.00 0.00 N ATOM 1275 CA PRO A 80 -4.019 -5.252 -5.848 1.00 0.00 C ATOM 1276 C PRO A 80 -2.889 -6.087 -5.249 1.00 0.00 C ATOM 1277 O PRO A 80 -2.768 -7.278 -5.535 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.493 -4.388 -7.001 1.00 0.00 C ATOM 1279 CG PRO A 80 -3.325 -3.025 -6.422 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.386 -2.891 -5.368 1.00 0.00 C ATOM 0 HA PRO A 80 -4.775 -5.975 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.547 -4.773 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.193 -4.378 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.331 -2.903 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.437 -2.258 -7.189 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.073 -2.226 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.311 -2.484 -5.776 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.061 -5.456 -4.420 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.940 -6.143 -3.788 1.00 0.00 C ATOM 1290 C PHE A 81 -1.426 -7.250 -2.854 1.00 0.00 C ATOM 1291 O PHE A 81 -0.785 -8.295 -2.727 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.077 -5.144 -3.010 1.00 0.00 C ATOM 1293 CG PHE A 81 1.035 -5.780 -2.218 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.617 -6.968 -2.635 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.496 -5.187 -1.053 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.635 -7.551 -1.905 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.515 -5.767 -0.320 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.084 -6.950 -0.747 1.00 0.00 C ATOM 0 H PHE A 81 -2.146 -4.471 -4.171 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.340 -6.600 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.353 -4.429 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.716 -4.580 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.270 -7.443 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.054 -4.262 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.079 -8.477 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.865 -5.295 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.880 -7.405 -0.175 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.558 -7.015 -2.200 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.119 -7.991 -1.274 1.00 0.00 C ATOM 1310 C LEU A 82 -3.705 -9.188 -2.013 1.00 0.00 C ATOM 1311 O LEU A 82 -3.620 -10.321 -1.537 1.00 0.00 O ATOM 1312 CB LEU A 82 -4.183 -7.339 -0.395 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.894 -7.413 1.103 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.693 -8.856 1.538 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.675 -6.573 1.453 1.00 0.00 C ATOM 0 H LEU A 82 -3.104 -6.159 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.309 -8.353 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.283 -6.292 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.143 -7.817 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.753 -7.011 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.488 -8.888 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.595 -9.430 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.852 -9.286 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.484 -6.638 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.808 -6.945 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.858 -5.534 1.179 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.284 -8.943 -3.184 1.00 0.00 N ATOM 1328 CA ALA A 83 -4.860 -10.019 -3.977 1.00 0.00 C ATOM 1329 C ALA A 83 -3.753 -10.852 -4.605 1.00 0.00 C ATOM 1330 O ALA A 83 -3.852 -12.077 -4.697 1.00 0.00 O ATOM 1331 CB ALA A 83 -5.782 -9.458 -5.048 1.00 0.00 C ATOM 0 H ALA A 83 -4.366 -8.016 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.451 -10.660 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.203 -10.277 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.588 -8.896 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.216 -8.798 -5.706 1.00 0.00 H new ATOM 1337 N LYS A 84 -2.692 -10.173 -5.024 1.00 0.00 N ATOM 1338 CA LYS A 84 -1.551 -10.839 -5.634 1.00 0.00 C ATOM 1339 C LYS A 84 -0.880 -11.767 -4.630 1.00 0.00 C ATOM 1340 O LYS A 84 -0.563 -12.915 -4.948 1.00 0.00 O ATOM 1341 CB LYS A 84 -0.546 -9.808 -6.150 1.00 0.00 C ATOM 1342 CG LYS A 84 0.543 -10.406 -7.027 1.00 0.00 C ATOM 1343 CD LYS A 84 1.930 -10.076 -6.500 1.00 0.00 C ATOM 1344 CE LYS A 84 2.976 -10.150 -7.601 1.00 0.00 C ATOM 1345 NZ LYS A 84 3.523 -11.527 -7.756 1.00 0.00 N ATOM 0 H LYS A 84 -2.599 -9.160 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.907 -11.433 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.079 -9.045 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.082 -9.308 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.419 -11.488 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.440 -10.028 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.927 -9.076 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.191 -10.770 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.534 -9.827 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.789 -9.460 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.182 -11.550 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.026 -11.801 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.743 -12.193 -7.929 1.00 0.00 H new ATOM 1359 N TYR A 85 -0.670 -11.272 -3.412 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.042 -12.075 -2.375 1.00 0.00 C ATOM 1361 C TYR A 85 -0.948 -13.227 -1.966 1.00 0.00 C ATOM 1362 O TYR A 85 -0.483 -14.340 -1.730 1.00 0.00 O ATOM 1363 CB TYR A 85 0.308 -11.222 -1.154 1.00 0.00 C ATOM 1364 CG TYR A 85 1.494 -11.758 -0.383 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.686 -12.055 -1.032 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.420 -11.977 0.987 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.771 -12.553 -0.340 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.503 -12.475 1.689 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.676 -12.761 1.020 1.00 0.00 C ATOM 1370 OH TYR A 85 4.756 -13.257 1.714 1.00 0.00 O ATOM 0 H TYR A 85 -0.924 -10.327 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 85 0.882 -12.483 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.522 -10.203 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.557 -11.171 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.765 -11.893 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.503 -11.755 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.690 -12.779 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.431 -12.639 2.754 1.00 0.00 H new ATOM 0 HH TYR A 85 5.174 -12.535 2.228 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.247 -12.957 -1.896 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.218 -13.979 -1.526 1.00 0.00 C ATOM 1382 C ARG A 86 -3.182 -15.131 -2.525 1.00 0.00 C ATOM 1383 O ARG A 86 -3.315 -16.298 -2.154 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.626 -13.382 -1.467 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.016 -12.878 -0.087 1.00 0.00 C ATOM 1386 CD ARG A 86 -5.243 -14.027 0.882 1.00 0.00 C ATOM 1387 NE ARG A 86 -6.649 -14.420 0.946 1.00 0.00 N ATOM 1388 CZ ARG A 86 -7.572 -13.765 1.648 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.243 -12.683 2.342 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -8.826 -14.193 1.655 1.00 0.00 N ATOM 0 H ARG A 86 -2.651 -12.041 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.957 -14.360 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.692 -12.558 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.345 -14.137 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.232 -12.225 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.923 -12.278 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.641 -14.883 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.902 -13.736 1.876 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.941 -15.245 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.279 -12.349 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.954 -12.185 2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.084 -15.024 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.533 -13.692 2.193 1.00 0.00 H new ATOM 1404 N ASP A 87 -2.995 -14.790 -3.796 1.00 0.00 N ATOM 1405 CA ASP A 87 -2.934 -15.789 -4.855 1.00 0.00 C ATOM 1406 C ASP A 87 -1.637 -16.589 -4.770 1.00 0.00 C ATOM 1407 O ASP A 87 -1.629 -17.804 -4.974 1.00 0.00 O ATOM 1408 CB ASP A 87 -3.047 -15.118 -6.226 1.00 0.00 C ATOM 1409 CG ASP A 87 -4.471 -15.100 -6.744 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -5.318 -14.416 -6.131 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -4.741 -15.770 -7.763 1.00 0.00 O ATOM 0 H ASP A 87 -2.883 -13.828 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.772 -16.474 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.675 -14.096 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.411 -15.643 -6.938 1.00 0.00 H new ATOM 1416 N PHE A 88 -0.546 -15.900 -4.454 1.00 0.00 N ATOM 1417 CA PHE A 88 0.757 -16.546 -4.330 1.00 0.00 C ATOM 1418 C PHE A 88 0.833 -17.366 -3.044 1.00 0.00 C ATOM 1419 O PHE A 88 1.568 -18.348 -2.965 1.00 0.00 O ATOM 1420 CB PHE A 88 1.875 -15.495 -4.350 1.00 0.00 C ATOM 1421 CG PHE A 88 3.258 -16.077 -4.229 1.00 0.00 C ATOM 1422 CD1 PHE A 88 3.696 -16.619 -3.031 1.00 0.00 C ATOM 1423 CD2 PHE A 88 4.120 -16.085 -5.316 1.00 0.00 C ATOM 1424 CE1 PHE A 88 4.960 -17.157 -2.918 1.00 0.00 C ATOM 1425 CE2 PHE A 88 5.387 -16.622 -5.206 1.00 0.00 C ATOM 1426 CZ PHE A 88 5.806 -17.160 -4.005 1.00 0.00 C ATOM 0 H PHE A 88 -0.537 -14.895 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 88 0.887 -17.219 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.810 -14.927 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.714 -14.791 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.038 -16.620 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.797 -15.667 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.287 -17.576 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.050 -16.621 -6.058 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.796 -17.583 -3.918 1.00 0.00 H new ATOM 1436 N LEU A 89 0.076 -16.947 -2.037 1.00 0.00 N ATOM 1437 CA LEU A 89 0.062 -17.632 -0.749 1.00 0.00 C ATOM 1438 C LEU A 89 -0.700 -18.951 -0.822 1.00 0.00 C ATOM 1439 O LEU A 89 -0.221 -19.982 -0.352 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.572 -16.734 0.313 1.00 0.00 C ATOM 1441 CG LEU A 89 0.071 -16.808 1.697 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.263 -18.254 2.126 1.00 0.00 C ATOM 1443 CD2 LEU A 89 1.400 -16.064 1.705 1.00 0.00 C ATOM 0 H LEU A 89 -0.538 -16.134 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 89 1.095 -17.851 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.530 -15.702 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.626 -16.996 0.405 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.598 -16.329 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.722 -18.282 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.705 -18.755 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.909 -18.763 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.846 -16.126 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.074 -16.515 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.233 -15.018 1.447 1.00 0.00 H new ATOM 1455 N LYS A 90 -1.890 -18.907 -1.406 1.00 0.00 N ATOM 1456 CA LYS A 90 -2.725 -20.098 -1.531 1.00 0.00 C ATOM 1457 C LYS A 90 -2.250 -20.998 -2.669 1.00 0.00 C ATOM 1458 O LYS A 90 -2.484 -22.205 -2.653 1.00 0.00 O ATOM 1459 CB LYS A 90 -4.184 -19.699 -1.761 1.00 0.00 C ATOM 1460 CG LYS A 90 -4.994 -19.594 -0.479 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.387 -18.155 -0.182 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.642 -17.753 -0.941 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.325 -17.148 -2.265 1.00 0.00 N ATOM 0 H LYS A 90 -2.300 -18.061 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.644 -20.658 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.213 -18.740 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.653 -20.431 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.891 -20.207 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.413 -19.992 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.554 -18.036 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.567 -17.489 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.275 -18.629 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.214 -17.042 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.951 -16.335 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.335 -16.830 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.467 -17.856 -3.013 1.00 0.00 H new ATOM 1477 N SER A 91 -1.591 -20.405 -3.660 1.00 0.00 N ATOM 1478 CA SER A 91 -1.100 -21.166 -4.803 1.00 0.00 C ATOM 1479 C SER A 91 0.213 -21.877 -4.480 1.00 0.00 C ATOM 1480 O SER A 91 0.343 -23.083 -4.689 1.00 0.00 O ATOM 1481 CB SER A 91 -0.909 -20.245 -6.010 1.00 0.00 C ATOM 1482 OG SER A 91 -2.151 -19.729 -6.459 1.00 0.00 O ATOM 0 H SER A 91 -1.386 -19.406 -3.695 1.00 0.00 H new ATOM 0 HA SER A 91 -1.846 -21.924 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.245 -19.423 -5.743 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.426 -20.795 -6.818 1.00 0.00 H new ATOM 0 HG SER A 91 -2.325 -18.869 -6.022 1.00 0.00 H new