USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 45 ASN : amide:sc= -2.12 X(o=-2.4,f=-2.8) USER MOD Set 1.2: A 79 SER OG : rot 120:sc= -0.274 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.0901 (180deg=-0.896) USER MOD Single : A 13 GLN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.134 (180deg=-0.96) USER MOD Single : A 28 SER OG : rot 79:sc= 0.208 USER MOD Single : A 29 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.48) USER MOD Single : A 31 MET CE :methyl 178:sc=-0.000488 (180deg=-0.00287) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -3.31! K(o=-3.3!,f=-0.54) USER MOD Single : A 39 CYS SG : rot -35:sc= 0.25 USER MOD Single : A 44 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.00026) USER MOD Single : A 46 TYR OH : rot -128:sc= 0.721 USER MOD Single : A 48 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.36) USER MOD Single : A 53 THR OG1 : rot -29:sc= 0.371 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -171:sc= 0 (180deg=-0.0157) USER MOD Single : A 66 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.76) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0996 (180deg=-0.741) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -0.0281 (180deg=-0.485) USER MOD Single : A 76 ASN : amide:sc= 0.459 K(o=0.46,f=-0.89) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= -2.84! (180deg=-3.38!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.54! K(o=-4.5!,f=-0.16) USER MOD Single : A 86 SER OG : rot 5:sc= -3.57 USER MOD Single : A 88 ASN : amide:sc= -1.96! C(o=-2!,f=-9.8!) USER MOD Single : A 89 ASN : amide:sc= -5.14! C(o=-5.1!,f=-3.2!) USER MOD Single : A 92 ASN : amide:sc= -0.765 K(o=-0.77,f=-2.7!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -5.805 8.695 -0.382 1.00 0.00 N ATOM 42 CA LYS A 3 -6.417 9.811 0.394 1.00 0.00 C ATOM 43 C LYS A 3 -7.047 9.281 1.687 1.00 0.00 C ATOM 44 O LYS A 3 -6.806 9.807 2.755 1.00 0.00 O ATOM 45 CB LYS A 3 -7.487 10.505 -0.457 1.00 0.00 C ATOM 46 CG LYS A 3 -6.960 10.720 -1.882 1.00 0.00 C ATOM 47 CD LYS A 3 -5.647 11.518 -1.845 1.00 0.00 C ATOM 48 CE LYS A 3 -5.334 12.069 -3.240 1.00 0.00 C ATOM 49 NZ LYS A 3 -4.038 12.803 -3.204 1.00 0.00 N ATOM 0 HA LYS A 3 -5.637 10.527 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.393 9.900 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.755 11.462 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.796 9.757 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.702 11.253 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.729 12.337 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.832 10.879 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.283 11.254 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.132 12.735 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.825 13.177 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.103 13.590 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.280 12.155 -2.909 1.00 0.00 H new ATOM 63 N PHE A 4 -7.856 8.254 1.617 1.00 0.00 N ATOM 64 CA PHE A 4 -8.479 7.742 2.871 1.00 0.00 C ATOM 65 C PHE A 4 -7.387 7.315 3.851 1.00 0.00 C ATOM 66 O PHE A 4 -6.252 7.096 3.480 1.00 0.00 O ATOM 67 CB PHE A 4 -9.435 6.570 2.601 1.00 0.00 C ATOM 68 CG PHE A 4 -8.822 5.546 1.669 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.812 4.692 2.131 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.286 5.430 0.351 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.265 3.729 1.272 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.741 4.467 -0.503 1.00 0.00 C ATOM 73 CZ PHE A 4 -7.732 3.618 -0.046 1.00 0.00 C ATOM 0 H PHE A 4 -8.107 7.757 0.762 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.069 8.550 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.698 6.091 3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.360 6.949 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.456 4.776 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.066 6.086 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.484 3.072 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.101 4.380 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.311 2.875 -0.707 1.00 0.00 H new ATOM 83 N THR A 5 -7.729 7.216 5.109 1.00 0.00 N ATOM 84 CA THR A 5 -6.730 6.824 6.146 1.00 0.00 C ATOM 85 C THR A 5 -6.758 5.319 6.357 1.00 0.00 C ATOM 86 O THR A 5 -7.706 4.635 6.012 1.00 0.00 O ATOM 87 CB THR A 5 -7.046 7.515 7.470 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.248 6.946 8.498 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.522 7.325 7.809 1.00 0.00 C ATOM 0 H THR A 5 -8.668 7.392 5.465 1.00 0.00 H new ATOM 0 HA THR A 5 -5.741 7.128 5.802 1.00 0.00 H new ATOM 0 HB THR A 5 -6.830 8.580 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.447 7.389 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.745 7.819 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.135 7.759 7.019 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.741 6.261 7.895 1.00 0.00 H new ATOM 97 N GLU A 6 -5.717 4.806 6.931 1.00 0.00 N ATOM 98 CA GLU A 6 -5.644 3.342 7.194 1.00 0.00 C ATOM 99 C GLU A 6 -6.949 2.873 7.839 1.00 0.00 C ATOM 100 O GLU A 6 -7.442 1.810 7.543 1.00 0.00 O ATOM 101 CB GLU A 6 -4.476 3.052 8.139 1.00 0.00 C ATOM 102 CG GLU A 6 -3.151 3.304 7.415 1.00 0.00 C ATOM 103 CD GLU A 6 -2.923 2.215 6.364 1.00 0.00 C ATOM 104 OE1 GLU A 6 -3.669 1.249 6.367 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.005 2.366 5.574 1.00 0.00 O ATOM 0 H GLU A 6 -4.902 5.339 7.235 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.493 2.811 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.545 3.686 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.522 2.019 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.166 4.285 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.329 3.310 8.131 1.00 0.00 H new ATOM 112 N GLU A 7 -7.517 3.663 8.715 1.00 0.00 N ATOM 113 CA GLU A 7 -8.794 3.254 9.377 1.00 0.00 C ATOM 114 C GLU A 7 -9.805 2.795 8.318 1.00 0.00 C ATOM 115 O GLU A 7 -10.528 1.829 8.506 1.00 0.00 O ATOM 116 CB GLU A 7 -9.379 4.433 10.166 1.00 0.00 C ATOM 117 CG GLU A 7 -8.285 5.094 11.013 1.00 0.00 C ATOM 118 CD GLU A 7 -7.630 4.047 11.918 1.00 0.00 C ATOM 119 OE1 GLU A 7 -8.351 3.394 12.655 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.419 3.916 11.859 1.00 0.00 O ATOM 0 H GLU A 7 -7.153 4.572 9.000 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.588 2.432 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.809 5.162 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.187 4.085 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.535 5.549 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.713 5.894 11.617 1.00 0.00 H new ATOM 127 N GLU A 8 -9.866 3.463 7.196 1.00 0.00 N ATOM 128 CA GLU A 8 -10.829 3.030 6.155 1.00 0.00 C ATOM 129 C GLU A 8 -10.357 1.699 5.588 1.00 0.00 C ATOM 130 O GLU A 8 -11.129 0.776 5.431 1.00 0.00 O ATOM 131 CB GLU A 8 -10.910 4.067 5.037 1.00 0.00 C ATOM 132 CG GLU A 8 -11.205 5.471 5.631 1.00 0.00 C ATOM 133 CD GLU A 8 -12.021 6.318 4.641 1.00 0.00 C ATOM 134 OE1 GLU A 8 -12.071 5.954 3.478 1.00 0.00 O ATOM 135 OE2 GLU A 8 -12.579 7.315 5.067 1.00 0.00 O ATOM 0 H GLU A 8 -9.298 4.277 6.962 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.820 2.924 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.972 4.088 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.693 3.791 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.753 5.368 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.268 5.977 5.865 1.00 0.00 H new ATOM 142 N ASP A 9 -9.082 1.588 5.289 1.00 0.00 N ATOM 143 CA ASP A 9 -8.552 0.297 4.739 1.00 0.00 C ATOM 144 C ASP A 9 -9.085 -0.872 5.578 1.00 0.00 C ATOM 145 O ASP A 9 -9.241 -1.981 5.101 1.00 0.00 O ATOM 146 CB ASP A 9 -7.020 0.300 4.779 1.00 0.00 C ATOM 147 CG ASP A 9 -6.496 -1.046 4.277 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.023 -1.534 3.290 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.581 -1.568 4.891 1.00 0.00 O ATOM 0 H ASP A 9 -8.391 2.329 5.401 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.881 0.186 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.631 1.108 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.672 0.482 5.796 1.00 0.00 H new ATOM 154 N LEU A 10 -9.395 -0.624 6.823 1.00 0.00 N ATOM 155 CA LEU A 10 -9.950 -1.713 7.676 1.00 0.00 C ATOM 156 C LEU A 10 -11.409 -1.905 7.266 1.00 0.00 C ATOM 157 O LEU A 10 -11.904 -3.012 7.156 1.00 0.00 O ATOM 158 CB LEU A 10 -9.861 -1.325 9.167 1.00 0.00 C ATOM 159 CG LEU A 10 -8.593 -0.508 9.415 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.466 -0.197 10.905 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.361 -1.290 8.942 1.00 0.00 C ATOM 0 H LEU A 10 -9.288 0.280 7.283 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.385 -2.635 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.739 -0.747 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.853 -2.222 9.786 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.656 0.425 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.561 0.385 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.334 0.375 11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.412 -1.129 11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.463 -0.699 9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.294 -2.230 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.449 -1.498 7.876 1.00 0.00 H new ATOM 173 N LYS A 11 -12.093 -0.820 7.012 1.00 0.00 N ATOM 174 CA LYS A 11 -13.509 -0.929 6.578 1.00 0.00 C ATOM 175 C LYS A 11 -13.545 -1.714 5.269 1.00 0.00 C ATOM 176 O LYS A 11 -14.442 -2.493 5.023 1.00 0.00 O ATOM 177 CB LYS A 11 -14.092 0.469 6.360 1.00 0.00 C ATOM 178 CG LYS A 11 -14.079 1.240 7.682 1.00 0.00 C ATOM 179 CD LYS A 11 -14.817 2.569 7.506 1.00 0.00 C ATOM 180 CE LYS A 11 -14.836 3.324 8.836 1.00 0.00 C ATOM 181 NZ LYS A 11 -13.457 3.376 9.399 1.00 0.00 N ATOM 0 H LYS A 11 -11.731 0.131 7.087 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.100 -1.438 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.510 1.004 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.111 0.394 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.555 0.649 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.052 1.421 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.326 3.171 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.836 2.388 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.218 4.334 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.508 2.829 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.370 4.198 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.268 2.506 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.769 3.460 8.624 1.00 0.00 H new ATOM 195 N LEU A 12 -12.558 -1.524 4.434 1.00 0.00 N ATOM 196 CA LEU A 12 -12.516 -2.267 3.149 1.00 0.00 C ATOM 197 C LEU A 12 -12.538 -3.766 3.455 1.00 0.00 C ATOM 198 O LEU A 12 -13.300 -4.510 2.890 1.00 0.00 O ATOM 199 CB LEU A 12 -11.222 -1.911 2.391 1.00 0.00 C ATOM 200 CG LEU A 12 -11.432 -0.684 1.493 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.840 0.524 2.341 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.121 -0.375 0.757 1.00 0.00 C ATOM 0 H LEU A 12 -11.779 -0.884 4.590 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.374 -2.000 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.422 -1.712 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.906 -2.760 1.785 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.223 -0.892 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.987 1.389 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.769 0.302 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.056 0.741 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.260 0.496 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.336 -0.169 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.835 -1.232 0.148 1.00 0.00 H new ATOM 214 N GLN A 13 -11.702 -4.217 4.344 1.00 0.00 N ATOM 215 CA GLN A 13 -11.685 -5.674 4.655 1.00 0.00 C ATOM 216 C GLN A 13 -13.101 -6.144 5.004 1.00 0.00 C ATOM 217 O GLN A 13 -13.509 -7.227 4.640 1.00 0.00 O ATOM 218 CB GLN A 13 -10.768 -5.917 5.856 1.00 0.00 C ATOM 219 CG GLN A 13 -10.656 -7.419 6.139 1.00 0.00 C ATOM 220 CD GLN A 13 -9.717 -7.639 7.323 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.882 -8.522 7.299 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.819 -6.866 8.369 1.00 0.00 N ATOM 0 H GLN A 13 -11.035 -3.648 4.865 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.322 -6.227 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.780 -5.502 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.161 -5.402 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.640 -7.834 6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.279 -7.940 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.520 -6.125 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.198 -7.003 9.167 1.00 0.00 H new ATOM 231 N GLN A 14 -13.851 -5.349 5.708 1.00 0.00 N ATOM 232 CA GLN A 14 -15.236 -5.776 6.088 1.00 0.00 C ATOM 233 C GLN A 14 -16.214 -5.610 4.920 1.00 0.00 C ATOM 234 O GLN A 14 -16.879 -6.545 4.520 1.00 0.00 O ATOM 235 CB GLN A 14 -15.729 -4.920 7.243 1.00 0.00 C ATOM 236 CG GLN A 14 -14.722 -4.972 8.394 1.00 0.00 C ATOM 237 CD GLN A 14 -15.318 -4.287 9.625 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.384 -3.076 9.689 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.758 -5.018 10.613 1.00 0.00 N ATOM 0 H GLN A 14 -13.573 -4.425 6.039 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.194 -6.828 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.864 -3.890 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.702 -5.276 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.472 -6.007 8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.795 -4.478 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.703 -6.035 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.157 -4.572 11.439 1.00 0.00 H new ATOM 248 N LEU A 15 -16.333 -4.428 4.387 1.00 0.00 N ATOM 249 CA LEU A 15 -17.292 -4.215 3.268 1.00 0.00 C ATOM 250 C LEU A 15 -16.900 -5.107 2.097 1.00 0.00 C ATOM 251 O LEU A 15 -17.692 -5.875 1.591 1.00 0.00 O ATOM 252 CB LEU A 15 -17.252 -2.747 2.826 1.00 0.00 C ATOM 253 CG LEU A 15 -17.470 -1.817 4.030 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.204 -0.371 3.600 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.914 -1.942 4.548 1.00 0.00 C ATOM 0 H LEU A 15 -15.810 -3.602 4.676 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.300 -4.463 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.292 -2.528 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -18.021 -2.566 2.075 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.786 -2.100 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.357 0.295 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.177 -0.279 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.889 -0.098 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.053 -1.278 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.610 -1.666 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.103 -2.971 4.855 1.00 0.00 H new ATOM 267 N VAL A 16 -15.679 -5.008 1.669 1.00 0.00 N ATOM 268 CA VAL A 16 -15.212 -5.839 0.534 1.00 0.00 C ATOM 269 C VAL A 16 -15.445 -7.311 0.867 1.00 0.00 C ATOM 270 O VAL A 16 -15.699 -8.116 -0.007 1.00 0.00 O ATOM 271 CB VAL A 16 -13.717 -5.593 0.287 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.295 -6.300 -1.003 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.435 -4.081 0.154 1.00 0.00 C ATOM 0 H VAL A 16 -14.977 -4.380 2.061 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.766 -5.573 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.150 -5.986 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.234 -6.128 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.478 -7.370 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.873 -5.906 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.371 -3.923 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.004 -3.677 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.731 -3.574 1.072 1.00 0.00 H new ATOM 283 N MET A 17 -15.381 -7.677 2.123 1.00 0.00 N ATOM 284 CA MET A 17 -15.621 -9.098 2.477 1.00 0.00 C ATOM 285 C MET A 17 -17.108 -9.399 2.256 1.00 0.00 C ATOM 286 O MET A 17 -17.483 -10.501 1.908 1.00 0.00 O ATOM 287 CB MET A 17 -15.220 -9.331 3.943 1.00 0.00 C ATOM 288 CG MET A 17 -15.831 -10.632 4.471 1.00 0.00 C ATOM 289 SD MET A 17 -15.002 -11.111 6.006 1.00 0.00 S ATOM 290 CE MET A 17 -16.103 -12.480 6.440 1.00 0.00 C ATOM 0 H MET A 17 -15.175 -7.057 2.906 1.00 0.00 H new ATOM 0 HA MET A 17 -15.024 -9.764 1.854 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.134 -9.374 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.554 -8.492 4.554 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.898 -10.499 4.648 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.727 -11.422 3.728 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.771 -12.932 7.375 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.120 -12.106 6.559 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.082 -13.229 5.648 1.00 0.00 H new ATOM 300 N ARG A 18 -17.956 -8.421 2.442 1.00 0.00 N ATOM 301 CA ARG A 18 -19.411 -8.652 2.228 1.00 0.00 C ATOM 302 C ARG A 18 -19.689 -8.722 0.724 1.00 0.00 C ATOM 303 O ARG A 18 -20.638 -9.342 0.287 1.00 0.00 O ATOM 304 CB ARG A 18 -20.208 -7.498 2.843 1.00 0.00 C ATOM 305 CG ARG A 18 -21.698 -7.847 2.837 1.00 0.00 C ATOM 306 CD ARG A 18 -22.501 -6.658 3.366 1.00 0.00 C ATOM 307 NE ARG A 18 -23.957 -6.921 3.180 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.820 -5.951 3.325 1.00 0.00 C ATOM 309 NH1 ARG A 18 -24.408 -4.752 3.632 1.00 0.00 N ATOM 310 NH2 ARG A 18 -26.093 -6.182 3.162 1.00 0.00 N ATOM 0 H ARG A 18 -17.703 -7.476 2.732 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.709 -9.587 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.871 -7.312 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -20.036 -6.582 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -22.020 -8.096 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.879 -8.726 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.281 -6.497 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.214 -5.748 2.839 1.00 0.00 H new ATOM 0 HE ARG A 18 -24.279 -7.858 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.412 -4.572 3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -25.082 -3.995 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -26.414 -7.120 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.767 -5.425 3.275 1.00 0.00 H new ATOM 324 N TYR A 19 -18.861 -8.087 -0.071 1.00 0.00 N ATOM 325 CA TYR A 19 -19.054 -8.101 -1.555 1.00 0.00 C ATOM 326 C TYR A 19 -18.105 -9.126 -2.178 1.00 0.00 C ATOM 327 O TYR A 19 -18.224 -9.478 -3.334 1.00 0.00 O ATOM 328 CB TYR A 19 -18.740 -6.710 -2.110 1.00 0.00 C ATOM 329 CG TYR A 19 -19.709 -5.712 -1.510 1.00 0.00 C ATOM 330 CD1 TYR A 19 -21.068 -5.787 -1.833 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.259 -4.728 -0.615 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.977 -4.888 -1.266 1.00 0.00 C ATOM 333 CE2 TYR A 19 -20.170 -3.826 -0.052 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.528 -3.907 -0.375 1.00 0.00 C ATOM 335 OH TYR A 19 -22.426 -3.020 0.183 1.00 0.00 O ATOM 0 H TYR A 19 -18.052 -7.555 0.249 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.083 -8.369 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.714 -6.431 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.824 -6.710 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.416 -6.542 -2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.211 -4.667 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.026 -4.951 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.823 -3.066 0.633 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.950 -2.405 0.780 1.00 0.00 H new ATOM 345 N GLY A 20 -17.161 -9.609 -1.413 1.00 0.00 N ATOM 346 CA GLY A 20 -16.191 -10.615 -1.940 1.00 0.00 C ATOM 347 C GLY A 20 -14.940 -9.897 -2.441 1.00 0.00 C ATOM 348 O GLY A 20 -13.892 -9.974 -1.835 1.00 0.00 O ATOM 0 H GLY A 20 -17.019 -9.347 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.927 -11.327 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.645 -11.186 -2.750 1.00 0.00 H new ATOM 352 N ALA A 21 -15.059 -9.195 -3.541 1.00 0.00 N ATOM 353 CA ALA A 21 -13.898 -8.444 -4.126 1.00 0.00 C ATOM 354 C ALA A 21 -14.201 -8.131 -5.601 1.00 0.00 C ATOM 355 O ALA A 21 -13.395 -8.377 -6.478 1.00 0.00 O ATOM 356 CB ALA A 21 -12.603 -9.285 -4.023 1.00 0.00 C ATOM 0 H ALA A 21 -15.927 -9.108 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.751 -7.517 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.771 -8.726 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.393 -9.503 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.732 -10.220 -4.569 1.00 0.00 H new ATOM 362 N LYS A 22 -15.360 -7.600 -5.893 1.00 0.00 N ATOM 363 CA LYS A 22 -15.688 -7.292 -7.323 1.00 0.00 C ATOM 364 C LYS A 22 -16.780 -6.215 -7.443 1.00 0.00 C ATOM 365 O LYS A 22 -17.096 -5.788 -8.536 1.00 0.00 O ATOM 366 CB LYS A 22 -16.165 -8.571 -8.010 1.00 0.00 C ATOM 367 CG LYS A 22 -17.443 -9.073 -7.332 1.00 0.00 C ATOM 368 CD LYS A 22 -17.780 -10.474 -7.846 1.00 0.00 C ATOM 369 CE LYS A 22 -19.048 -10.980 -7.156 1.00 0.00 C ATOM 370 NZ LYS A 22 -20.127 -9.962 -7.292 1.00 0.00 N ATOM 0 H LYS A 22 -16.087 -7.368 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.787 -6.908 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.353 -8.380 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.389 -9.335 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.309 -9.094 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.268 -8.391 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.925 -10.451 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.951 -11.154 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.365 -11.923 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.848 -11.175 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.051 -10.414 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.988 -9.212 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.096 -9.549 -8.246 1.00 0.00 H new ATOM 384 N ASP A 23 -17.354 -5.760 -6.348 1.00 0.00 N ATOM 385 CA ASP A 23 -18.418 -4.699 -6.424 1.00 0.00 C ATOM 386 C ASP A 23 -17.847 -3.390 -5.879 1.00 0.00 C ATOM 387 O ASP A 23 -18.457 -2.721 -5.068 1.00 0.00 O ATOM 388 CB ASP A 23 -19.631 -5.127 -5.582 1.00 0.00 C ATOM 389 CG ASP A 23 -19.871 -6.628 -5.762 1.00 0.00 C ATOM 390 OD1 ASP A 23 -18.965 -7.391 -5.470 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.956 -6.988 -6.190 1.00 0.00 O ATOM 0 H ASP A 23 -17.131 -6.078 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.734 -4.561 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.456 -4.899 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.515 -4.567 -5.887 1.00 0.00 H new ATOM 396 N TRP A 24 -16.680 -3.022 -6.320 1.00 0.00 N ATOM 397 CA TRP A 24 -16.064 -1.761 -5.834 1.00 0.00 C ATOM 398 C TRP A 24 -16.910 -0.579 -6.291 1.00 0.00 C ATOM 399 O TRP A 24 -16.969 0.442 -5.635 1.00 0.00 O ATOM 400 CB TRP A 24 -14.645 -1.655 -6.388 1.00 0.00 C ATOM 401 CG TRP A 24 -13.880 -2.834 -5.897 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.763 -4.022 -6.532 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.145 -2.955 -4.658 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.996 -4.868 -5.750 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.589 -4.250 -4.582 1.00 0.00 C ATOM 406 CE3 TRP A 24 -12.912 -2.065 -3.608 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.823 -4.646 -3.486 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.143 -2.452 -2.506 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.598 -3.741 -2.442 1.00 0.00 C ATOM 0 H TRP A 24 -16.124 -3.542 -6.999 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.019 -1.757 -4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.660 -1.635 -7.478 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.174 -0.729 -6.059 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.196 -4.270 -7.490 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.760 -5.827 -6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.329 -1.070 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.407 -5.642 -3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -11.968 -1.754 -1.701 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.005 -4.036 -1.589 1.00 0.00 H new ATOM 420 N ILE A 25 -17.585 -0.712 -7.395 1.00 0.00 N ATOM 421 CA ILE A 25 -18.444 0.396 -7.868 1.00 0.00 C ATOM 422 C ILE A 25 -19.552 0.582 -6.842 1.00 0.00 C ATOM 423 O ILE A 25 -20.052 1.665 -6.633 1.00 0.00 O ATOM 424 CB ILE A 25 -19.051 0.035 -9.231 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.516 -1.426 -9.218 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.002 0.222 -10.331 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.367 -1.703 -10.459 1.00 0.00 C ATOM 0 H ILE A 25 -17.577 -1.542 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 25 -17.866 1.313 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 25 -19.902 0.687 -9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.654 -2.093 -9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.094 -1.627 -8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -18.437 -0.035 -11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -17.673 1.261 -10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.148 -0.426 -10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -20.697 -2.742 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.237 -1.046 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -19.774 -1.519 -11.355 1.00 0.00 H new ATOM 439 N ARG A 26 -19.923 -0.481 -6.186 1.00 0.00 N ATOM 440 CA ARG A 26 -20.984 -0.393 -5.158 1.00 0.00 C ATOM 441 C ARG A 26 -20.372 0.177 -3.887 1.00 0.00 C ATOM 442 O ARG A 26 -20.856 1.135 -3.320 1.00 0.00 O ATOM 443 CB ARG A 26 -21.542 -1.788 -4.879 1.00 0.00 C ATOM 444 CG ARG A 26 -22.723 -1.683 -3.913 1.00 0.00 C ATOM 445 CD ARG A 26 -23.394 -3.052 -3.776 1.00 0.00 C ATOM 446 NE ARG A 26 -24.114 -3.380 -5.038 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.918 -4.408 -5.085 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.089 -5.151 -4.025 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.549 -4.694 -6.189 1.00 0.00 N ATOM 0 H ARG A 26 -19.531 -1.413 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.794 0.249 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.861 -2.256 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.765 -2.423 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -22.380 -1.335 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.441 -0.949 -4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.646 -3.816 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -24.091 -3.045 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.979 -2.801 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.595 -4.928 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.717 -5.954 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.415 -4.115 -7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.177 -5.497 -6.224 1.00 0.00 H new ATOM 463 N ILE A 27 -19.300 -0.406 -3.436 1.00 0.00 N ATOM 464 CA ILE A 27 -18.648 0.106 -2.207 1.00 0.00 C ATOM 465 C ILE A 27 -18.327 1.588 -2.382 1.00 0.00 C ATOM 466 O ILE A 27 -18.361 2.359 -1.444 1.00 0.00 O ATOM 467 CB ILE A 27 -17.346 -0.656 -1.960 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.653 -2.151 -1.845 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.709 -0.155 -0.661 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.350 -2.955 -1.797 1.00 0.00 C ATOM 0 H ILE A 27 -18.849 -1.214 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.321 -0.031 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.655 -0.492 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.240 -2.341 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.256 -2.472 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.780 -0.695 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.498 0.911 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.395 -0.324 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.581 -4.017 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.779 -2.777 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.762 -2.644 -0.934 1.00 0.00 H new ATOM 482 N SER A 28 -18.004 1.990 -3.580 1.00 0.00 N ATOM 483 CA SER A 28 -17.668 3.418 -3.822 1.00 0.00 C ATOM 484 C SER A 28 -18.944 4.257 -3.795 1.00 0.00 C ATOM 485 O SER A 28 -18.926 5.416 -3.437 1.00 0.00 O ATOM 486 CB SER A 28 -16.981 3.553 -5.180 1.00 0.00 C ATOM 487 OG SER A 28 -15.688 2.970 -5.109 1.00 0.00 O ATOM 0 H SER A 28 -17.959 1.389 -4.403 1.00 0.00 H new ATOM 0 HA SER A 28 -16.994 3.773 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.573 3.060 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.904 4.604 -5.459 1.00 0.00 H new ATOM 0 HG SER A 28 -15.764 1.995 -5.177 1.00 0.00 H new ATOM 493 N GLN A 29 -20.058 3.684 -4.162 1.00 0.00 N ATOM 494 CA GLN A 29 -21.327 4.471 -4.140 1.00 0.00 C ATOM 495 C GLN A 29 -21.616 4.876 -2.694 1.00 0.00 C ATOM 496 O GLN A 29 -22.083 5.964 -2.423 1.00 0.00 O ATOM 497 CB GLN A 29 -22.480 3.620 -4.699 1.00 0.00 C ATOM 498 CG GLN A 29 -22.423 3.601 -6.242 1.00 0.00 C ATOM 499 CD GLN A 29 -23.101 4.853 -6.811 1.00 0.00 C ATOM 500 OE1 GLN A 29 -22.489 5.898 -6.910 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.347 4.789 -7.191 1.00 0.00 N ATOM 0 H GLN A 29 -20.146 2.717 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.230 5.362 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.413 2.603 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.436 4.025 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.386 3.557 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.918 2.707 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.861 3.912 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.807 5.616 -7.571 1.00 0.00 H new ATOM 510 N LEU A 30 -21.322 4.013 -1.761 1.00 0.00 N ATOM 511 CA LEU A 30 -21.553 4.350 -0.329 1.00 0.00 C ATOM 512 C LEU A 30 -20.392 5.226 0.149 1.00 0.00 C ATOM 513 O LEU A 30 -20.578 6.197 0.855 1.00 0.00 O ATOM 514 CB LEU A 30 -21.609 3.056 0.501 1.00 0.00 C ATOM 515 CG LEU A 30 -22.400 1.986 -0.257 1.00 0.00 C ATOM 516 CD1 LEU A 30 -22.542 0.745 0.627 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.793 2.523 -0.613 1.00 0.00 C ATOM 0 H LEU A 30 -20.931 3.086 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.497 4.883 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.599 2.699 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.077 3.252 1.466 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.872 1.727 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.105 -0.020 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.553 0.361 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.070 1.009 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.351 1.758 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.326 2.785 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.692 3.408 -1.241 1.00 0.00 H new ATOM 529 N MET A 31 -19.192 4.879 -0.249 1.00 0.00 N ATOM 530 CA MET A 31 -17.980 5.667 0.149 1.00 0.00 C ATOM 531 C MET A 31 -17.456 6.440 -1.064 1.00 0.00 C ATOM 532 O MET A 31 -16.318 6.288 -1.463 1.00 0.00 O ATOM 533 CB MET A 31 -16.895 4.706 0.641 1.00 0.00 C ATOM 534 CG MET A 31 -17.316 4.101 1.980 1.00 0.00 C ATOM 535 SD MET A 31 -16.080 2.890 2.510 1.00 0.00 S ATOM 536 CE MET A 31 -16.397 3.002 4.288 1.00 0.00 C ATOM 0 H MET A 31 -18.997 4.072 -0.841 1.00 0.00 H new ATOM 0 HA MET A 31 -18.242 6.366 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.735 3.916 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.949 5.235 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.417 4.886 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.291 3.623 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 31 -15.755 2.298 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 31 -16.186 4.014 4.632 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.441 2.762 4.487 1.00 0.00 H new ATOM 546 N ILE A 32 -18.274 7.272 -1.653 1.00 0.00 N ATOM 547 CA ILE A 32 -17.817 8.055 -2.838 1.00 0.00 C ATOM 548 C ILE A 32 -16.542 8.827 -2.477 1.00 0.00 C ATOM 549 O ILE A 32 -15.920 9.448 -3.315 1.00 0.00 O ATOM 550 CB ILE A 32 -18.930 9.044 -3.274 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.329 8.424 -3.000 1.00 0.00 C ATOM 552 CG2 ILE A 32 -18.784 9.359 -4.773 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.793 8.711 -1.556 1.00 0.00 C ATOM 0 H ILE A 32 -19.237 7.443 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.605 7.376 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.833 9.966 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.054 8.830 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.291 7.347 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.567 10.054 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.808 9.809 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -18.873 8.438 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.774 8.265 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.079 8.283 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -20.854 9.788 -1.401 1.00 0.00 H new ATOM 565 N THR A 33 -16.153 8.796 -1.231 1.00 0.00 N ATOM 566 CA THR A 33 -14.929 9.527 -0.808 1.00 0.00 C ATOM 567 C THR A 33 -13.757 9.158 -1.720 1.00 0.00 C ATOM 568 O THR A 33 -12.750 9.838 -1.749 1.00 0.00 O ATOM 569 CB THR A 33 -14.587 9.153 0.636 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.294 7.765 0.707 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.775 9.474 1.543 1.00 0.00 C ATOM 0 H THR A 33 -16.634 8.293 -0.486 1.00 0.00 H new ATOM 0 HA THR A 33 -15.112 10.599 -0.877 1.00 0.00 H new ATOM 0 HB THR A 33 -13.719 9.724 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.073 7.524 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.530 9.207 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.997 10.540 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.645 8.904 1.218 1.00 0.00 H new ATOM 579 N ARG A 34 -13.866 8.084 -2.466 1.00 0.00 N ATOM 580 CA ARG A 34 -12.738 7.690 -3.365 1.00 0.00 C ATOM 581 C ARG A 34 -13.262 6.876 -4.555 1.00 0.00 C ATOM 582 O ARG A 34 -14.407 6.472 -4.599 1.00 0.00 O ATOM 583 CB ARG A 34 -11.721 6.852 -2.553 1.00 0.00 C ATOM 584 CG ARG A 34 -10.285 7.119 -3.043 1.00 0.00 C ATOM 585 CD ARG A 34 -9.875 8.585 -2.769 1.00 0.00 C ATOM 586 NE ARG A 34 -9.977 9.365 -4.039 1.00 0.00 N ATOM 587 CZ ARG A 34 -10.081 10.668 -4.009 1.00 0.00 C ATOM 588 NH1 ARG A 34 -10.099 11.297 -2.865 1.00 0.00 N ATOM 589 NH2 ARG A 34 -10.168 11.341 -5.124 1.00 0.00 N ATOM 0 H ARG A 34 -14.680 7.469 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.252 8.585 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.802 7.098 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.954 5.792 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.593 6.443 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.216 6.911 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.521 9.020 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.856 8.625 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.965 8.878 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.032 10.772 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.180 12.314 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.155 10.850 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.249 12.358 -5.101 1.00 0.00 H new ATOM 603 N ASN A 35 -12.411 6.637 -5.519 1.00 0.00 N ATOM 604 CA ASN A 35 -12.817 5.853 -6.720 1.00 0.00 C ATOM 605 C ASN A 35 -12.709 4.355 -6.396 1.00 0.00 C ATOM 606 O ASN A 35 -11.938 3.962 -5.545 1.00 0.00 O ATOM 607 CB ASN A 35 -11.869 6.211 -7.882 1.00 0.00 C ATOM 608 CG ASN A 35 -12.309 7.529 -8.529 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.800 8.414 -7.858 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.155 7.694 -9.814 1.00 0.00 N ATOM 0 H ASN A 35 -11.442 6.956 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.844 6.086 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.847 6.300 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.872 5.413 -8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.447 8.566 -10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.743 6.951 -10.378 1.00 0.00 H new ATOM 617 N PRO A 36 -13.475 3.521 -7.062 1.00 0.00 N ATOM 618 CA PRO A 36 -13.444 2.047 -6.816 1.00 0.00 C ATOM 619 C PRO A 36 -12.072 1.442 -7.145 1.00 0.00 C ATOM 620 O PRO A 36 -11.635 0.495 -6.522 1.00 0.00 O ATOM 621 CB PRO A 36 -14.540 1.496 -7.751 1.00 0.00 C ATOM 622 CG PRO A 36 -14.699 2.535 -8.813 1.00 0.00 C ATOM 623 CD PRO A 36 -14.449 3.870 -8.115 1.00 0.00 C ATOM 0 HA PRO A 36 -13.617 1.797 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.249 0.536 -8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.474 1.335 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.990 2.378 -9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.697 2.501 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.049 4.616 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.366 4.283 -7.695 1.00 0.00 H new ATOM 631 N ARG A 37 -11.396 1.983 -8.119 1.00 0.00 N ATOM 632 CA ARG A 37 -10.060 1.441 -8.486 1.00 0.00 C ATOM 633 C ARG A 37 -9.061 1.756 -7.371 1.00 0.00 C ATOM 634 O ARG A 37 -8.108 1.037 -7.157 1.00 0.00 O ATOM 635 CB ARG A 37 -9.590 2.089 -9.790 1.00 0.00 C ATOM 636 CG ARG A 37 -10.508 1.659 -10.935 1.00 0.00 C ATOM 637 CD ARG A 37 -9.959 2.191 -12.259 1.00 0.00 C ATOM 638 NE ARG A 37 -8.611 1.605 -12.510 1.00 0.00 N ATOM 639 CZ ARG A 37 -7.856 2.087 -13.459 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.279 3.083 -14.189 1.00 0.00 N ATOM 641 NH2 ARG A 37 -6.677 1.572 -13.679 1.00 0.00 N ATOM 0 H ARG A 37 -11.711 2.777 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.128 0.361 -8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.598 3.175 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.562 1.796 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.579 0.572 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.516 2.039 -10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.636 1.936 -13.074 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.894 3.279 -12.227 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.279 0.827 -11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.201 3.485 -14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.688 3.459 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.346 0.793 -13.109 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.086 1.948 -14.421 1.00 0.00 H new ATOM 655 N GLN A 38 -9.272 2.833 -6.664 1.00 0.00 N ATOM 656 CA GLN A 38 -8.331 3.205 -5.567 1.00 0.00 C ATOM 657 C GLN A 38 -8.538 2.291 -4.357 1.00 0.00 C ATOM 658 O GLN A 38 -7.587 1.882 -3.719 1.00 0.00 O ATOM 659 CB GLN A 38 -8.575 4.660 -5.163 1.00 0.00 C ATOM 660 CG GLN A 38 -8.107 5.585 -6.291 1.00 0.00 C ATOM 661 CD GLN A 38 -8.260 7.043 -5.854 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.685 7.457 -4.866 1.00 0.00 O ATOM 663 NE2 GLN A 38 -9.013 7.846 -6.554 1.00 0.00 N ATOM 0 H GLN A 38 -10.056 3.472 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.307 3.089 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.634 4.821 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.037 4.889 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.066 5.376 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.692 5.401 -7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.496 7.499 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.119 8.821 -6.272 1.00 0.00 H new ATOM 672 N CYS A 39 -9.759 1.953 -4.029 1.00 0.00 N ATOM 673 CA CYS A 39 -9.982 1.061 -2.864 1.00 0.00 C ATOM 674 C CYS A 39 -9.650 -0.367 -3.288 1.00 0.00 C ATOM 675 O CYS A 39 -9.307 -1.208 -2.483 1.00 0.00 O ATOM 676 CB CYS A 39 -11.439 1.161 -2.431 1.00 0.00 C ATOM 677 SG CYS A 39 -11.829 2.880 -2.019 1.00 0.00 S ATOM 0 H CYS A 39 -10.602 2.256 -4.517 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.348 1.351 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.092 0.810 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.618 0.519 -1.568 1.00 0.00 H new ATOM 0 HG CYS A 39 -10.791 3.442 -1.475 1.00 0.00 H new ATOM 683 N ARG A 40 -9.729 -0.638 -4.561 1.00 0.00 N ATOM 684 CA ARG A 40 -9.392 -1.998 -5.059 1.00 0.00 C ATOM 685 C ARG A 40 -7.895 -2.215 -4.846 1.00 0.00 C ATOM 686 O ARG A 40 -7.461 -3.246 -4.373 1.00 0.00 O ATOM 687 CB ARG A 40 -9.732 -2.073 -6.555 1.00 0.00 C ATOM 688 CG ARG A 40 -9.123 -3.326 -7.214 1.00 0.00 C ATOM 689 CD ARG A 40 -9.543 -4.584 -6.455 1.00 0.00 C ATOM 690 NE ARG A 40 -9.227 -5.786 -7.277 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.495 -6.980 -6.822 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.043 -7.122 -5.646 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.215 -8.031 -7.542 1.00 0.00 N ATOM 0 H ARG A 40 -10.014 0.028 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.956 -2.765 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.814 -2.084 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.361 -1.180 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.449 -3.394 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.036 -3.247 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.022 -4.636 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.610 -4.550 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.800 -5.676 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.262 -6.300 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.253 -8.055 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.786 -7.920 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.425 -8.964 -7.186 1.00 0.00 H new ATOM 707 N GLU A 41 -7.103 -1.237 -5.195 1.00 0.00 N ATOM 708 CA GLU A 41 -5.633 -1.367 -5.020 1.00 0.00 C ATOM 709 C GLU A 41 -5.326 -1.773 -3.577 1.00 0.00 C ATOM 710 O GLU A 41 -4.323 -2.402 -3.307 1.00 0.00 O ATOM 711 CB GLU A 41 -4.959 -0.025 -5.333 1.00 0.00 C ATOM 712 CG GLU A 41 -4.961 0.215 -6.847 1.00 0.00 C ATOM 713 CD GLU A 41 -4.555 1.661 -7.138 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.057 2.310 -6.233 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.750 2.095 -8.261 1.00 0.00 O ATOM 0 H GLU A 41 -7.415 -0.352 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.251 -2.129 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.485 0.784 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.936 -0.025 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.270 -0.473 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.952 0.016 -7.256 1.00 0.00 H new ATOM 722 N ARG A 42 -6.174 -1.425 -2.642 1.00 0.00 N ATOM 723 CA ARG A 42 -5.889 -1.816 -1.225 1.00 0.00 C ATOM 724 C ARG A 42 -6.124 -3.325 -1.064 1.00 0.00 C ATOM 725 O ARG A 42 -5.398 -4.001 -0.363 1.00 0.00 O ATOM 726 CB ARG A 42 -6.804 -1.023 -0.262 1.00 0.00 C ATOM 727 CG ARG A 42 -6.147 0.315 0.142 1.00 0.00 C ATOM 728 CD ARG A 42 -5.021 0.094 1.170 1.00 0.00 C ATOM 729 NE ARG A 42 -4.764 1.369 1.903 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.977 2.280 1.390 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.412 2.082 0.230 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.756 3.391 2.039 1.00 0.00 N ATOM 0 H ARG A 42 -7.034 -0.898 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.852 -1.584 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.764 -0.832 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.005 -1.618 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.744 0.807 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.901 0.981 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.302 -0.692 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.113 -0.239 0.666 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.204 1.531 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.583 1.215 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.799 2.794 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.197 3.548 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.143 4.102 1.640 1.00 0.00 H new ATOM 746 N TRP A 43 -7.133 -3.853 -1.703 1.00 0.00 N ATOM 747 CA TRP A 43 -7.422 -5.315 -1.587 1.00 0.00 C ATOM 748 C TRP A 43 -6.144 -6.127 -1.751 1.00 0.00 C ATOM 749 O TRP A 43 -5.766 -6.856 -0.869 1.00 0.00 O ATOM 750 CB TRP A 43 -8.386 -5.697 -2.716 1.00 0.00 C ATOM 751 CG TRP A 43 -8.833 -7.121 -2.578 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.580 -8.102 -3.477 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.617 -7.740 -1.514 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.153 -9.278 -3.033 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.799 -9.107 -1.826 1.00 0.00 C ATOM 756 CE3 TRP A 43 -10.178 -7.253 -0.321 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -10.512 -9.962 -0.983 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.896 -8.109 0.530 1.00 0.00 C ATOM 759 CH2 TRP A 43 -11.062 -9.461 0.200 1.00 0.00 C ATOM 0 H TRP A 43 -7.773 -3.334 -2.303 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.851 -5.523 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.253 -5.036 -2.699 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.897 -5.557 -3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.021 -7.984 -4.393 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.104 -10.164 -3.536 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.056 -6.213 -0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.637 -11.003 -1.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -11.323 -7.723 1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.614 -10.115 0.859 1.00 0.00 H new ATOM 770 N ASN A 44 -5.468 -5.996 -2.856 1.00 0.00 N ATOM 771 CA ASN A 44 -4.218 -6.789 -3.065 1.00 0.00 C ATOM 772 C ASN A 44 -3.032 -6.155 -2.340 1.00 0.00 C ATOM 773 O ASN A 44 -2.117 -6.839 -1.926 1.00 0.00 O ATOM 774 CB ASN A 44 -3.911 -6.855 -4.562 1.00 0.00 C ATOM 775 CG ASN A 44 -5.165 -7.294 -5.321 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.302 -8.448 -5.673 1.00 0.00 O ATOM 777 ND2 ASN A 44 -6.091 -6.415 -5.590 1.00 0.00 N ATOM 0 H ASN A 44 -5.723 -5.376 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.374 -7.789 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.579 -5.880 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.097 -7.556 -4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.930 -6.697 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.975 -5.446 -5.294 1.00 0.00 H new ATOM 784 N ASN A 45 -3.015 -4.858 -2.203 1.00 0.00 N ATOM 785 CA ASN A 45 -1.856 -4.196 -1.528 1.00 0.00 C ATOM 786 C ASN A 45 -2.085 -4.086 -0.021 1.00 0.00 C ATOM 787 O ASN A 45 -1.385 -3.362 0.654 1.00 0.00 O ATOM 788 CB ASN A 45 -1.669 -2.793 -2.110 1.00 0.00 C ATOM 789 CG ASN A 45 -1.631 -2.875 -3.637 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.274 -3.893 -4.194 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.986 -1.836 -4.343 1.00 0.00 N ATOM 0 H ASN A 45 -3.749 -4.228 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.966 -4.802 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.484 -2.144 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.745 -2.353 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.963 -1.880 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.286 -0.980 -3.876 1.00 0.00 H new ATOM 798 N TYR A 46 -3.041 -4.792 0.533 1.00 0.00 N ATOM 799 CA TYR A 46 -3.247 -4.695 2.016 1.00 0.00 C ATOM 800 C TYR A 46 -3.889 -5.984 2.558 1.00 0.00 C ATOM 801 O TYR A 46 -3.366 -6.588 3.473 1.00 0.00 O ATOM 802 CB TYR A 46 -4.112 -3.455 2.341 1.00 0.00 C ATOM 803 CG TYR A 46 -3.613 -2.792 3.619 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.637 -3.504 4.824 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.127 -1.475 3.599 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.182 -2.908 6.004 1.00 0.00 C ATOM 807 CE2 TYR A 46 -2.669 -0.880 4.780 1.00 0.00 C ATOM 808 CZ TYR A 46 -2.699 -1.594 5.983 1.00 0.00 C ATOM 809 OH TYR A 46 -2.250 -1.005 7.147 1.00 0.00 O ATOM 0 H TYR A 46 -3.676 -5.418 0.038 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.281 -4.579 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.071 -2.746 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.155 -3.749 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.009 -4.518 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.107 -0.921 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.203 -3.461 6.931 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.292 0.132 4.763 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.698 -0.142 7.271 1.00 0.00 H new ATOM 819 N ILE A 47 -5.003 -6.421 2.010 1.00 0.00 N ATOM 820 CA ILE A 47 -5.645 -7.686 2.520 1.00 0.00 C ATOM 821 C ILE A 47 -6.284 -8.488 1.366 1.00 0.00 C ATOM 822 O ILE A 47 -7.167 -8.034 0.665 1.00 0.00 O ATOM 823 CB ILE A 47 -6.681 -7.375 3.645 1.00 0.00 C ATOM 824 CG1 ILE A 47 -8.060 -6.941 3.102 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.150 -6.260 4.552 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.939 -5.666 2.266 1.00 0.00 C ATOM 0 H ILE A 47 -5.492 -5.964 1.240 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.864 -8.308 2.957 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.816 -8.305 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.484 -7.740 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.746 -6.773 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.879 -6.049 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.211 -6.577 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.981 -5.360 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.923 -5.380 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.537 -4.863 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.271 -5.845 1.424 1.00 0.00 H new ATOM 838 N ASN A 48 -5.816 -9.698 1.188 1.00 0.00 N ATOM 839 CA ASN A 48 -6.340 -10.611 0.121 1.00 0.00 C ATOM 840 C ASN A 48 -5.540 -11.930 0.146 1.00 0.00 C ATOM 841 O ASN A 48 -6.108 -13.000 0.048 1.00 0.00 O ATOM 842 CB ASN A 48 -6.248 -9.927 -1.278 1.00 0.00 C ATOM 843 CG ASN A 48 -5.464 -10.773 -2.299 1.00 0.00 C ATOM 844 OD1 ASN A 48 -6.006 -11.682 -2.898 1.00 0.00 O ATOM 845 ND2 ASN A 48 -4.202 -10.506 -2.517 1.00 0.00 N ATOM 0 H ASN A 48 -5.071 -10.104 1.754 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.391 -10.829 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.254 -9.746 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.768 -8.954 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.672 -11.060 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.748 -9.743 -2.014 1.00 0.00 H new ATOM 852 N PRO A 49 -4.231 -11.855 0.239 1.00 0.00 N ATOM 853 CA PRO A 49 -3.349 -13.045 0.232 1.00 0.00 C ATOM 854 C PRO A 49 -2.911 -13.468 1.643 1.00 0.00 C ATOM 855 O PRO A 49 -3.663 -14.067 2.386 1.00 0.00 O ATOM 856 CB PRO A 49 -2.162 -12.521 -0.590 1.00 0.00 C ATOM 857 CG PRO A 49 -2.037 -11.063 -0.193 1.00 0.00 C ATOM 858 CD PRO A 49 -3.419 -10.634 0.365 1.00 0.00 C ATOM 0 HA PRO A 49 -3.825 -13.940 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.249 -13.073 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.343 -12.627 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.258 -10.932 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.759 -10.451 -1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.349 -10.303 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.844 -9.808 -0.205 1.00 0.00 H new ATOM 866 N ALA A 50 -1.698 -13.159 2.006 1.00 0.00 N ATOM 867 CA ALA A 50 -1.185 -13.530 3.353 1.00 0.00 C ATOM 868 C ALA A 50 0.213 -12.937 3.498 1.00 0.00 C ATOM 869 O ALA A 50 1.065 -13.456 4.190 1.00 0.00 O ATOM 870 CB ALA A 50 -1.118 -15.054 3.484 1.00 0.00 C ATOM 0 H ALA A 50 -1.032 -12.658 1.418 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.846 -13.146 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.742 -15.318 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.115 -15.475 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.450 -15.456 2.722 1.00 0.00 H new ATOM 876 N LEU A 51 0.442 -11.847 2.824 1.00 0.00 N ATOM 877 CA LEU A 51 1.770 -11.172 2.867 1.00 0.00 C ATOM 878 C LEU A 51 2.087 -10.668 4.279 1.00 0.00 C ATOM 879 O LEU A 51 2.940 -9.821 4.461 1.00 0.00 O ATOM 880 CB LEU A 51 1.775 -9.990 1.876 1.00 0.00 C ATOM 881 CG LEU A 51 0.507 -9.090 2.053 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.741 -8.014 3.131 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.167 -8.389 0.725 1.00 0.00 C ATOM 0 H LEU A 51 -0.249 -11.385 2.233 1.00 0.00 H new ATOM 0 HA LEU A 51 2.536 -11.895 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.673 -9.390 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.814 -10.370 0.855 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.318 -9.733 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.155 -7.402 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.964 -8.495 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.580 -7.382 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.717 -7.765 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.007 -7.767 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.030 -9.138 -0.042 1.00 0.00 H new ATOM 895 N ARG A 52 1.420 -11.171 5.282 1.00 0.00 N ATOM 896 CA ARG A 52 1.698 -10.709 6.673 1.00 0.00 C ATOM 897 C ARG A 52 3.205 -10.764 6.953 1.00 0.00 C ATOM 898 O ARG A 52 3.676 -10.263 7.955 1.00 0.00 O ATOM 899 CB ARG A 52 0.965 -11.616 7.664 1.00 0.00 C ATOM 900 CG ARG A 52 -0.545 -11.481 7.460 1.00 0.00 C ATOM 901 CD ARG A 52 -1.280 -12.195 8.596 1.00 0.00 C ATOM 902 NE ARG A 52 -0.889 -13.633 8.614 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.218 -14.386 9.628 1.00 0.00 C ATOM 904 NH1 ARG A 52 -1.890 -13.882 10.626 1.00 0.00 N ATOM 905 NH2 ARG A 52 -0.875 -15.646 9.642 1.00 0.00 N ATOM 0 H ARG A 52 0.694 -11.883 5.199 1.00 0.00 H new ATOM 0 HA ARG A 52 1.351 -9.682 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.271 -12.652 7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.230 -11.345 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.827 -10.428 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.833 -11.910 6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.036 -11.729 9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.358 -12.102 8.462 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.364 -14.029 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.159 -12.898 10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.146 -14.472 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.351 -16.041 8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.131 -16.236 10.434 1.00 0.00 H new ATOM 919 N THR A 53 3.968 -11.368 6.078 1.00 0.00 N ATOM 920 CA THR A 53 5.444 -11.452 6.297 1.00 0.00 C ATOM 921 C THR A 53 6.154 -11.655 4.955 1.00 0.00 C ATOM 922 O THR A 53 6.721 -12.699 4.698 1.00 0.00 O ATOM 923 CB THR A 53 5.754 -12.632 7.222 1.00 0.00 C ATOM 924 OG1 THR A 53 4.911 -12.570 8.364 1.00 0.00 O ATOM 925 CG2 THR A 53 7.218 -12.570 7.663 1.00 0.00 C ATOM 0 H THR A 53 3.632 -11.807 5.221 1.00 0.00 H new ATOM 0 HA THR A 53 5.795 -10.527 6.754 1.00 0.00 H new ATOM 0 HB THR A 53 5.578 -13.566 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.685 -11.635 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.436 -13.411 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.864 -12.618 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.398 -11.636 8.196 1.00 0.00 H new ATOM 933 N ASP A 54 6.126 -10.659 4.099 1.00 0.00 N ATOM 934 CA ASP A 54 6.797 -10.764 2.759 1.00 0.00 C ATOM 935 C ASP A 54 7.740 -9.571 2.574 1.00 0.00 C ATOM 936 O ASP A 54 7.570 -8.780 1.669 1.00 0.00 O ATOM 937 CB ASP A 54 5.728 -10.738 1.659 1.00 0.00 C ATOM 938 CG ASP A 54 4.985 -12.076 1.636 1.00 0.00 C ATOM 939 OD1 ASP A 54 4.882 -12.693 2.684 1.00 0.00 O ATOM 940 OD2 ASP A 54 4.532 -12.462 0.570 1.00 0.00 O ATOM 0 H ASP A 54 5.662 -9.767 4.273 1.00 0.00 H new ATOM 0 HA ASP A 54 7.364 -11.693 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.026 -9.924 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.192 -10.551 0.691 1.00 0.00 H new ATOM 945 N PRO A 55 8.732 -9.438 3.420 1.00 0.00 N ATOM 946 CA PRO A 55 9.709 -8.311 3.330 1.00 0.00 C ATOM 947 C PRO A 55 10.588 -8.425 2.082 1.00 0.00 C ATOM 948 O PRO A 55 11.075 -9.485 1.742 1.00 0.00 O ATOM 949 CB PRO A 55 10.541 -8.449 4.617 1.00 0.00 C ATOM 950 CG PRO A 55 10.458 -9.900 4.950 1.00 0.00 C ATOM 951 CD PRO A 55 9.046 -10.335 4.549 1.00 0.00 C ATOM 0 HA PRO A 55 9.221 -7.340 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.573 -8.134 4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.138 -7.832 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.212 -10.470 4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.633 -10.069 6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.015 -11.383 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.338 -10.215 5.369 1.00 0.00 H new ATOM 959 N TRP A 56 10.786 -7.336 1.399 1.00 0.00 N ATOM 960 CA TRP A 56 11.627 -7.361 0.165 1.00 0.00 C ATOM 961 C TRP A 56 13.114 -7.374 0.556 1.00 0.00 C ATOM 962 O TRP A 56 13.459 -7.602 1.698 1.00 0.00 O ATOM 963 CB TRP A 56 11.291 -6.146 -0.732 1.00 0.00 C ATOM 964 CG TRP A 56 10.806 -4.980 0.080 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.544 -4.826 0.546 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.539 -3.793 0.491 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.453 -3.616 1.216 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.661 -2.943 1.210 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.867 -3.375 0.313 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.090 -1.721 1.729 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.301 -2.149 0.832 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.416 -1.322 1.537 1.00 0.00 C ATOM 0 H TRP A 56 10.401 -6.423 1.640 1.00 0.00 H new ATOM 0 HA TRP A 56 11.414 -8.265 -0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.176 -5.854 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.528 -6.428 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.738 -5.533 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.603 -3.266 1.658 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.559 -4.003 -0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.404 -1.089 2.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.325 -1.838 0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.758 -0.377 1.932 1.00 0.00 H new ATOM 983 N SER A 57 13.997 -7.165 -0.397 1.00 0.00 N ATOM 984 CA SER A 57 15.471 -7.201 -0.110 1.00 0.00 C ATOM 985 C SER A 57 16.169 -6.029 -0.841 1.00 0.00 C ATOM 986 O SER A 57 15.522 -5.234 -1.492 1.00 0.00 O ATOM 987 CB SER A 57 16.001 -8.569 -0.597 1.00 0.00 C ATOM 988 OG SER A 57 14.896 -9.437 -0.811 1.00 0.00 O ATOM 0 H SER A 57 13.757 -6.970 -1.369 1.00 0.00 H new ATOM 0 HA SER A 57 15.675 -7.088 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.570 -8.447 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.679 -8.996 0.142 1.00 0.00 H new ATOM 0 HG SER A 57 15.220 -10.308 -1.122 1.00 0.00 H new ATOM 994 N PRO A 58 17.478 -5.916 -0.722 1.00 0.00 N ATOM 995 CA PRO A 58 18.265 -4.814 -1.370 1.00 0.00 C ATOM 996 C PRO A 58 17.906 -4.595 -2.847 1.00 0.00 C ATOM 997 O PRO A 58 18.253 -3.590 -3.436 1.00 0.00 O ATOM 998 CB PRO A 58 19.718 -5.277 -1.210 1.00 0.00 C ATOM 999 CG PRO A 58 19.700 -6.056 0.062 1.00 0.00 C ATOM 1000 CD PRO A 58 18.372 -6.818 0.040 1.00 0.00 C ATOM 0 HA PRO A 58 18.060 -3.848 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.038 -5.891 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.404 -4.432 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.547 -6.740 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.764 -5.398 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.473 -7.789 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.996 -7.002 1.047 1.00 0.00 H new ATOM 1008 N GLU A 59 17.217 -5.523 -3.445 1.00 0.00 N ATOM 1009 CA GLU A 59 16.836 -5.375 -4.870 1.00 0.00 C ATOM 1010 C GLU A 59 15.761 -4.306 -4.966 1.00 0.00 C ATOM 1011 O GLU A 59 15.783 -3.468 -5.843 1.00 0.00 O ATOM 1012 CB GLU A 59 16.291 -6.703 -5.399 1.00 0.00 C ATOM 1013 CG GLU A 59 17.418 -7.737 -5.440 1.00 0.00 C ATOM 1014 CD GLU A 59 16.897 -9.036 -6.057 1.00 0.00 C ATOM 1015 OE1 GLU A 59 16.778 -9.085 -7.270 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.626 -9.958 -5.306 1.00 0.00 O ATOM 0 H GLU A 59 16.900 -6.385 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 59 17.704 -5.091 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.482 -7.057 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.873 -6.565 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.255 -7.355 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.791 -7.924 -4.433 1.00 0.00 H new ATOM 1023 N GLU A 60 14.823 -4.307 -4.055 1.00 0.00 N ATOM 1024 CA GLU A 60 13.768 -3.267 -4.091 1.00 0.00 C ATOM 1025 C GLU A 60 14.297 -2.035 -3.366 1.00 0.00 C ATOM 1026 O GLU A 60 13.959 -0.932 -3.696 1.00 0.00 O ATOM 1027 CB GLU A 60 12.501 -3.781 -3.408 1.00 0.00 C ATOM 1028 CG GLU A 60 12.173 -5.183 -3.929 1.00 0.00 C ATOM 1029 CD GLU A 60 12.013 -5.142 -5.450 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.301 -4.275 -5.929 1.00 0.00 O ATOM 1031 OE2 GLU A 60 12.607 -5.979 -6.111 1.00 0.00 O ATOM 0 H GLU A 60 14.747 -4.982 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 60 13.518 -3.017 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.642 -3.807 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.669 -3.105 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.967 -5.878 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.256 -5.548 -3.467 1.00 0.00 H new ATOM 1038 N ASP A 61 15.145 -2.215 -2.389 1.00 0.00 N ATOM 1039 CA ASP A 61 15.698 -1.030 -1.668 1.00 0.00 C ATOM 1040 C ASP A 61 16.402 -0.123 -2.681 1.00 0.00 C ATOM 1041 O ASP A 61 16.081 1.039 -2.827 1.00 0.00 O ATOM 1042 CB ASP A 61 16.710 -1.496 -0.598 1.00 0.00 C ATOM 1043 CG ASP A 61 16.808 -0.458 0.528 1.00 0.00 C ATOM 1044 OD1 ASP A 61 15.774 0.033 0.949 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.917 -0.173 0.948 1.00 0.00 O ATOM 0 H ASP A 61 15.477 -3.122 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 61 14.891 -0.485 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.401 -2.458 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.689 -1.643 -1.053 1.00 0.00 H new ATOM 1050 N MET A 62 17.369 -0.657 -3.378 1.00 0.00 N ATOM 1051 CA MET A 62 18.109 0.153 -4.379 1.00 0.00 C ATOM 1052 C MET A 62 17.144 0.644 -5.457 1.00 0.00 C ATOM 1053 O MET A 62 17.231 1.767 -5.913 1.00 0.00 O ATOM 1054 CB MET A 62 19.200 -0.703 -5.023 1.00 0.00 C ATOM 1055 CG MET A 62 20.239 -1.086 -3.967 1.00 0.00 C ATOM 1056 SD MET A 62 21.628 -1.929 -4.766 1.00 0.00 S ATOM 1057 CE MET A 62 22.278 -2.745 -3.287 1.00 0.00 C ATOM 0 H MET A 62 17.677 -1.626 -3.294 1.00 0.00 H new ATOM 0 HA MET A 62 18.564 1.011 -3.884 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.762 -1.601 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.677 -0.153 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.591 -0.195 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.788 -1.736 -3.217 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.241 -3.200 -3.516 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.404 -2.010 -2.492 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.580 -3.517 -2.961 1.00 0.00 H new ATOM 1067 N LEU A 63 16.222 -0.186 -5.877 1.00 0.00 N ATOM 1068 CA LEU A 63 15.258 0.257 -6.937 1.00 0.00 C ATOM 1069 C LEU A 63 14.175 1.142 -6.299 1.00 0.00 C ATOM 1070 O LEU A 63 13.519 1.914 -6.969 1.00 0.00 O ATOM 1071 CB LEU A 63 14.618 -0.981 -7.602 1.00 0.00 C ATOM 1072 CG LEU A 63 15.512 -1.542 -8.738 1.00 0.00 C ATOM 1073 CD1 LEU A 63 15.435 -0.653 -9.995 1.00 0.00 C ATOM 1074 CD2 LEU A 63 16.977 -1.650 -8.269 1.00 0.00 C ATOM 0 H LEU A 63 16.094 -1.140 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 63 15.783 0.832 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.454 -1.754 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.641 -0.715 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 63 15.142 -2.535 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.072 -1.070 -10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.405 -0.613 -10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.774 0.354 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.590 -2.045 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 63 17.342 -0.663 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.036 -2.318 -7.410 1.00 0.00 H new ATOM 1086 N LEU A 64 13.992 1.042 -5.010 1.00 0.00 N ATOM 1087 CA LEU A 64 12.966 1.882 -4.322 1.00 0.00 C ATOM 1088 C LEU A 64 13.559 3.276 -4.129 1.00 0.00 C ATOM 1089 O LEU A 64 12.911 4.272 -4.356 1.00 0.00 O ATOM 1090 CB LEU A 64 12.605 1.231 -2.966 1.00 0.00 C ATOM 1091 CG LEU A 64 11.679 2.124 -2.102 1.00 0.00 C ATOM 1092 CD1 LEU A 64 12.448 3.303 -1.453 1.00 0.00 C ATOM 1093 CD2 LEU A 64 10.510 2.651 -2.954 1.00 0.00 C ATOM 0 H LEU A 64 14.511 0.411 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 64 12.052 1.958 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.115 0.274 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.521 1.022 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 64 11.288 1.508 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.760 3.902 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.238 2.913 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.887 3.924 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.865 3.278 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.901 3.239 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.935 1.810 -3.343 1.00 0.00 H new ATOM 1105 N ASP A 65 14.800 3.361 -3.733 1.00 0.00 N ATOM 1106 CA ASP A 65 15.429 4.702 -3.551 1.00 0.00 C ATOM 1107 C ASP A 65 15.194 5.542 -4.811 1.00 0.00 C ATOM 1108 O ASP A 65 15.058 6.747 -4.751 1.00 0.00 O ATOM 1109 CB ASP A 65 16.933 4.535 -3.320 1.00 0.00 C ATOM 1110 CG ASP A 65 17.167 3.733 -2.038 1.00 0.00 C ATOM 1111 OD1 ASP A 65 16.258 3.676 -1.225 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.249 3.191 -1.891 1.00 0.00 O ATOM 0 H ASP A 65 15.404 2.565 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 65 14.986 5.201 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.388 4.024 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.410 5.512 -3.243 1.00 0.00 H new ATOM 1117 N GLN A 66 15.138 4.905 -5.951 1.00 0.00 N ATOM 1118 CA GLN A 66 14.904 5.648 -7.224 1.00 0.00 C ATOM 1119 C GLN A 66 13.413 5.980 -7.357 1.00 0.00 C ATOM 1120 O GLN A 66 13.044 7.059 -7.772 1.00 0.00 O ATOM 1121 CB GLN A 66 15.341 4.777 -8.407 1.00 0.00 C ATOM 1122 CG GLN A 66 15.369 5.618 -9.688 1.00 0.00 C ATOM 1123 CD GLN A 66 16.546 6.595 -9.636 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.413 7.698 -9.144 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.700 6.234 -10.126 1.00 0.00 N ATOM 0 H GLN A 66 15.245 3.896 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 66 15.481 6.573 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.328 4.356 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.655 3.939 -8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.460 4.969 -10.559 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.433 6.166 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.812 5.308 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.491 6.878 -10.096 1.00 0.00 H new ATOM 1134 N LYS A 67 12.551 5.061 -7.011 1.00 0.00 N ATOM 1135 CA LYS A 67 11.090 5.338 -7.124 1.00 0.00 C ATOM 1136 C LYS A 67 10.702 6.407 -6.099 1.00 0.00 C ATOM 1137 O LYS A 67 10.136 7.427 -6.437 1.00 0.00 O ATOM 1138 CB LYS A 67 10.303 4.053 -6.859 1.00 0.00 C ATOM 1139 CG LYS A 67 10.609 3.030 -7.957 1.00 0.00 C ATOM 1140 CD LYS A 67 10.032 1.669 -7.563 1.00 0.00 C ATOM 1141 CE LYS A 67 10.439 0.622 -8.602 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.041 1.089 -9.959 1.00 0.00 N ATOM 0 H LYS A 67 12.794 4.136 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 67 10.859 5.696 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.569 3.646 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.235 4.267 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.180 3.358 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.686 2.951 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.396 1.379 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.946 1.728 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.516 0.456 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.961 -0.332 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.030 0.282 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.092 1.513 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.722 1.799 -10.295 1.00 0.00 H new ATOM 1156 N TYR A 68 11.023 6.192 -4.847 1.00 0.00 N ATOM 1157 CA TYR A 68 10.700 7.204 -3.794 1.00 0.00 C ATOM 1158 C TYR A 68 11.176 8.573 -4.286 1.00 0.00 C ATOM 1159 O TYR A 68 10.493 9.571 -4.163 1.00 0.00 O ATOM 1160 CB TYR A 68 11.440 6.809 -2.496 1.00 0.00 C ATOM 1161 CG TYR A 68 11.622 8.003 -1.576 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.664 8.908 -1.816 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.758 8.203 -0.495 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.840 10.011 -0.977 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.936 9.308 0.345 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.977 10.213 0.103 1.00 0.00 C ATOM 1167 OH TYR A 68 12.151 11.303 0.932 1.00 0.00 O ATOM 0 H TYR A 68 11.497 5.355 -4.508 1.00 0.00 H new ATOM 0 HA TYR A 68 9.629 7.244 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.879 6.031 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.414 6.388 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.332 8.753 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.955 7.506 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.644 10.708 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.270 9.463 1.181 1.00 0.00 H new ATOM 0 HH TYR A 68 11.465 11.294 1.632 1.00 0.00 H new ATOM 1177 N ALA A 69 12.343 8.613 -4.855 1.00 0.00 N ATOM 1178 CA ALA A 69 12.879 9.893 -5.374 1.00 0.00 C ATOM 1179 C ALA A 69 11.860 10.493 -6.346 1.00 0.00 C ATOM 1180 O ALA A 69 11.753 11.694 -6.493 1.00 0.00 O ATOM 1181 CB ALA A 69 14.198 9.615 -6.103 1.00 0.00 C ATOM 0 H ALA A 69 12.953 7.806 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 69 13.058 10.594 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.604 10.550 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.911 9.170 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.019 8.927 -6.929 1.00 0.00 H new ATOM 1187 N GLU A 70 11.108 9.652 -7.011 1.00 0.00 N ATOM 1188 CA GLU A 70 10.086 10.137 -7.981 1.00 0.00 C ATOM 1189 C GLU A 70 8.722 10.264 -7.295 1.00 0.00 C ATOM 1190 O GLU A 70 8.095 11.304 -7.331 1.00 0.00 O ATOM 1191 CB GLU A 70 9.980 9.132 -9.131 1.00 0.00 C ATOM 1192 CG GLU A 70 11.251 9.193 -9.981 1.00 0.00 C ATOM 1193 CD GLU A 70 11.194 8.114 -11.064 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.101 7.808 -11.510 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.244 7.613 -11.430 1.00 0.00 O ATOM 0 H GLU A 70 11.162 8.638 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 70 10.384 11.115 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.841 8.125 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.108 9.357 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.348 10.178 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.129 9.046 -9.352 1.00 0.00 H new ATOM 1202 N TYR A 71 8.235 9.195 -6.703 1.00 0.00 N ATOM 1203 CA TYR A 71 6.886 9.230 -6.052 1.00 0.00 C ATOM 1204 C TYR A 71 6.983 9.525 -4.550 1.00 0.00 C ATOM 1205 O TYR A 71 6.062 10.059 -3.965 1.00 0.00 O ATOM 1206 CB TYR A 71 6.206 7.878 -6.275 1.00 0.00 C ATOM 1207 CG TYR A 71 6.404 7.450 -7.711 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.490 7.850 -8.693 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.500 6.654 -8.060 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.672 7.455 -10.024 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.684 6.258 -9.391 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.770 6.658 -10.372 1.00 0.00 C ATOM 1213 OH TYR A 71 6.951 6.268 -11.683 1.00 0.00 O ATOM 0 H TYR A 71 8.717 8.298 -6.644 1.00 0.00 H new ATOM 0 HA TYR A 71 6.302 10.034 -6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.625 7.132 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.142 7.951 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.643 8.464 -8.424 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.205 6.344 -7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.967 7.764 -10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.531 5.644 -9.660 1.00 0.00 H new ATOM 0 HH TYR A 71 7.761 5.720 -11.753 1.00 0.00 H new ATOM 1223 N GLY A 72 8.069 9.187 -3.908 1.00 0.00 N ATOM 1224 CA GLY A 72 8.177 9.460 -2.441 1.00 0.00 C ATOM 1225 C GLY A 72 7.496 8.324 -1.669 1.00 0.00 C ATOM 1226 O GLY A 72 7.301 7.247 -2.197 1.00 0.00 O ATOM 0 H GLY A 72 8.881 8.737 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.224 9.538 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.707 10.413 -2.200 1.00 0.00 H new ATOM 1230 N PRO A 73 7.129 8.553 -0.430 1.00 0.00 N ATOM 1231 CA PRO A 73 6.455 7.517 0.412 1.00 0.00 C ATOM 1232 C PRO A 73 5.109 7.065 -0.176 1.00 0.00 C ATOM 1233 O PRO A 73 4.241 6.602 0.537 1.00 0.00 O ATOM 1234 CB PRO A 73 6.252 8.212 1.782 1.00 0.00 C ATOM 1235 CG PRO A 73 7.199 9.376 1.775 1.00 0.00 C ATOM 1236 CD PRO A 73 7.318 9.810 0.311 1.00 0.00 C ATOM 0 HA PRO A 73 7.052 6.607 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.221 8.543 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.470 7.532 2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.822 10.190 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.171 9.092 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.562 10.550 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.289 10.258 0.102 1.00 0.00 H new ATOM 1244 N LYS A 74 4.922 7.187 -1.465 1.00 0.00 N ATOM 1245 CA LYS A 74 3.633 6.756 -2.069 1.00 0.00 C ATOM 1246 C LYS A 74 3.667 5.244 -2.265 1.00 0.00 C ATOM 1247 O LYS A 74 3.649 4.751 -3.375 1.00 0.00 O ATOM 1248 CB LYS A 74 3.459 7.440 -3.420 1.00 0.00 C ATOM 1249 CG LYS A 74 3.136 8.923 -3.212 1.00 0.00 C ATOM 1250 CD LYS A 74 2.847 9.580 -4.564 1.00 0.00 C ATOM 1251 CE LYS A 74 2.274 10.980 -4.342 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.215 11.776 -3.504 1.00 0.00 N ATOM 0 H LYS A 74 5.606 7.565 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 74 2.803 7.027 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.369 7.336 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.658 6.959 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.274 9.029 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.973 9.423 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.762 9.640 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.141 8.973 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.115 11.475 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.302 10.913 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.221 12.763 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.909 11.743 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.173 11.378 -3.584 1.00 0.00 H new ATOM 1266 N TRP A 75 3.722 4.506 -1.195 1.00 0.00 N ATOM 1267 CA TRP A 75 3.768 3.026 -1.310 1.00 0.00 C ATOM 1268 C TRP A 75 2.616 2.538 -2.197 1.00 0.00 C ATOM 1269 O TRP A 75 2.555 1.386 -2.577 1.00 0.00 O ATOM 1270 CB TRP A 75 3.657 2.408 0.088 1.00 0.00 C ATOM 1271 CG TRP A 75 4.411 3.236 1.083 1.00 0.00 C ATOM 1272 CD1 TRP A 75 3.866 3.778 2.194 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.822 3.628 1.089 1.00 0.00 C ATOM 1274 NE1 TRP A 75 4.848 4.446 2.896 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.066 4.394 2.253 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.904 3.395 0.216 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.331 4.907 2.543 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.177 3.913 0.506 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.390 4.667 1.667 1.00 0.00 C ATOM 0 H TRP A 75 3.737 4.867 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 75 4.711 2.722 -1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.609 2.340 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.052 1.392 0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.829 3.701 2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.691 4.922 3.785 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.753 2.814 -0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.489 5.487 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.998 3.729 -0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.372 5.062 1.884 1.00 0.00 H new ATOM 1290 N ASN A 76 1.711 3.411 -2.532 1.00 0.00 N ATOM 1291 CA ASN A 76 0.569 3.009 -3.399 1.00 0.00 C ATOM 1292 C ASN A 76 1.091 2.769 -4.814 1.00 0.00 C ATOM 1293 O ASN A 76 0.645 1.880 -5.512 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.478 4.125 -3.419 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.621 3.735 -4.358 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.497 3.842 -5.563 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.739 3.285 -3.855 1.00 0.00 N ATOM 0 H ASN A 76 1.712 4.389 -2.243 1.00 0.00 H new ATOM 0 HA ASN A 76 0.110 2.099 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.862 4.296 -2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.024 5.059 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.507 3.024 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.844 3.195 -2.844 1.00 0.00 H new ATOM 1304 N LYS A 77 2.049 3.551 -5.234 1.00 0.00 N ATOM 1305 CA LYS A 77 2.626 3.370 -6.595 1.00 0.00 C ATOM 1306 C LYS A 77 3.686 2.276 -6.520 1.00 0.00 C ATOM 1307 O LYS A 77 3.847 1.487 -7.425 1.00 0.00 O ATOM 1308 CB LYS A 77 3.286 4.675 -7.052 1.00 0.00 C ATOM 1309 CG LYS A 77 2.271 5.832 -7.024 1.00 0.00 C ATOM 1310 CD LYS A 77 1.321 5.748 -8.230 1.00 0.00 C ATOM 1311 CE LYS A 77 0.511 7.042 -8.330 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.542 6.891 -9.375 1.00 0.00 N ATOM 0 H LYS A 77 2.458 4.310 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 77 1.842 3.098 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.130 4.909 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.682 4.555 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.696 5.796 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.798 6.786 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.891 5.591 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.652 4.895 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.053 7.272 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.167 7.876 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.092 7.771 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.095 6.691 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.174 6.106 -9.120 1.00 0.00 H new ATOM 1326 N ILE A 78 4.405 2.225 -5.436 1.00 0.00 N ATOM 1327 CA ILE A 78 5.453 1.184 -5.284 1.00 0.00 C ATOM 1328 C ILE A 78 4.776 -0.183 -5.145 1.00 0.00 C ATOM 1329 O ILE A 78 5.069 -1.113 -5.867 1.00 0.00 O ATOM 1330 CB ILE A 78 6.281 1.492 -4.027 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.576 3.002 -3.951 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.599 0.712 -4.065 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.164 3.510 -5.273 1.00 0.00 C ATOM 0 H ILE A 78 4.311 2.863 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 78 6.110 1.174 -6.154 1.00 0.00 H new ATOM 0 HB ILE A 78 5.712 1.192 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.659 3.545 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.274 3.200 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.180 0.936 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.388 -0.357 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.168 1.001 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.364 4.579 -5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.093 2.981 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.453 3.332 -6.080 1.00 0.00 H new ATOM 1345 N SER A 79 3.864 -0.303 -4.222 1.00 0.00 N ATOM 1346 CA SER A 79 3.152 -1.597 -4.028 1.00 0.00 C ATOM 1347 C SER A 79 2.627 -2.118 -5.370 1.00 0.00 C ATOM 1348 O SER A 79 2.413 -3.303 -5.540 1.00 0.00 O ATOM 1349 CB SER A 79 1.981 -1.396 -3.068 1.00 0.00 C ATOM 1350 OG SER A 79 1.392 -2.657 -2.779 1.00 0.00 O ATOM 0 H SER A 79 3.579 0.445 -3.589 1.00 0.00 H new ATOM 0 HA SER A 79 3.848 -2.325 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.326 -0.923 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.242 -0.729 -3.512 1.00 0.00 H new ATOM 0 HG SER A 79 1.444 -2.829 -1.816 1.00 0.00 H new ATOM 1356 N LYS A 80 2.407 -1.251 -6.324 1.00 0.00 N ATOM 1357 CA LYS A 80 1.887 -1.710 -7.643 1.00 0.00 C ATOM 1358 C LYS A 80 3.042 -2.338 -8.422 1.00 0.00 C ATOM 1359 O LYS A 80 2.846 -3.188 -9.269 1.00 0.00 O ATOM 1360 CB LYS A 80 1.258 -0.499 -8.394 1.00 0.00 C ATOM 1361 CG LYS A 80 2.124 -0.022 -9.576 1.00 0.00 C ATOM 1362 CD LYS A 80 1.542 1.273 -10.145 1.00 0.00 C ATOM 1363 CE LYS A 80 2.249 1.618 -11.458 1.00 0.00 C ATOM 1364 NZ LYS A 80 3.718 1.428 -11.296 1.00 0.00 N ATOM 0 H LYS A 80 2.565 -0.246 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 80 1.106 -2.461 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.270 -0.777 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.118 0.325 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.150 0.142 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.157 -0.789 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.471 1.159 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.666 2.085 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.876 0.983 -12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.034 2.649 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.218 1.908 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.022 1.830 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.941 0.412 -11.317 1.00 0.00 H new ATOM 1378 N PHE A 81 4.247 -1.939 -8.124 1.00 0.00 N ATOM 1379 CA PHE A 81 5.411 -2.526 -8.829 1.00 0.00 C ATOM 1380 C PHE A 81 5.654 -3.899 -8.212 1.00 0.00 C ATOM 1381 O PHE A 81 6.438 -4.691 -8.699 1.00 0.00 O ATOM 1382 CB PHE A 81 6.643 -1.615 -8.641 1.00 0.00 C ATOM 1383 CG PHE A 81 6.690 -0.569 -9.741 1.00 0.00 C ATOM 1384 CD1 PHE A 81 7.153 -0.920 -11.014 1.00 0.00 C ATOM 1385 CD2 PHE A 81 6.271 0.745 -9.488 1.00 0.00 C ATOM 1386 CE1 PHE A 81 7.199 0.038 -12.033 1.00 0.00 C ATOM 1387 CE2 PHE A 81 6.317 1.703 -10.508 1.00 0.00 C ATOM 1388 CZ PHE A 81 6.781 1.350 -11.780 1.00 0.00 C ATOM 0 H PHE A 81 4.472 -1.233 -7.423 1.00 0.00 H new ATOM 0 HA PHE A 81 5.227 -2.618 -9.899 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.600 -1.128 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.554 -2.214 -8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.475 -1.932 -11.210 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.913 1.018 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.557 -0.235 -13.015 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.994 2.715 -10.313 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.817 2.089 -12.566 1.00 0.00 H new ATOM 1398 N LEU A 82 4.966 -4.176 -7.132 1.00 0.00 N ATOM 1399 CA LEU A 82 5.108 -5.493 -6.432 1.00 0.00 C ATOM 1400 C LEU A 82 3.813 -6.292 -6.619 1.00 0.00 C ATOM 1401 O LEU A 82 3.797 -7.320 -7.266 1.00 0.00 O ATOM 1402 CB LEU A 82 5.353 -5.248 -4.937 1.00 0.00 C ATOM 1403 CG LEU A 82 6.440 -4.176 -4.750 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.588 -3.857 -3.264 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.782 -4.686 -5.299 1.00 0.00 C ATOM 0 H LEU A 82 4.301 -3.536 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 82 5.948 -6.050 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.429 -4.928 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.659 -6.176 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 82 6.151 -3.276 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.358 -3.097 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.640 -3.485 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.872 -4.761 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.546 -3.920 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.074 -5.590 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.679 -4.910 -6.361 1.00 0.00 H new ATOM 1417 N LYS A 83 2.729 -5.821 -6.054 1.00 0.00 N ATOM 1418 CA LYS A 83 1.421 -6.525 -6.183 1.00 0.00 C ATOM 1419 C LYS A 83 1.428 -7.732 -5.254 1.00 0.00 C ATOM 1420 O LYS A 83 0.425 -8.389 -5.060 1.00 0.00 O ATOM 1421 CB LYS A 83 1.207 -6.955 -7.654 1.00 0.00 C ATOM 1422 CG LYS A 83 -0.286 -6.915 -8.032 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.445 -7.100 -9.551 1.00 0.00 C ATOM 1424 CE LYS A 83 0.144 -5.895 -10.317 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.603 -5.715 -11.594 1.00 0.00 N ATOM 0 H LYS A 83 2.697 -4.965 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 83 0.600 -5.865 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.770 -6.296 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.596 -7.962 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.826 -7.700 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.723 -5.965 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.056 -8.016 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.500 -7.213 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.073 -4.993 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.202 -6.060 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.211 -4.905 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.513 -6.574 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.607 -5.540 -11.387 1.00 0.00 H new ATOM 1439 N ASN A 84 2.565 -8.013 -4.672 1.00 0.00 N ATOM 1440 CA ASN A 84 2.686 -9.166 -3.733 1.00 0.00 C ATOM 1441 C ASN A 84 2.792 -8.632 -2.306 1.00 0.00 C ATOM 1442 O ASN A 84 2.304 -9.229 -1.368 1.00 0.00 O ATOM 1443 CB ASN A 84 3.948 -9.961 -4.078 1.00 0.00 C ATOM 1444 CG ASN A 84 3.731 -10.732 -5.381 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.278 -11.800 -5.568 1.00 0.00 O ATOM 1446 ND2 ASN A 84 2.949 -10.231 -6.299 1.00 0.00 N ATOM 0 H ASN A 84 3.426 -7.484 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 84 1.813 -9.814 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.798 -9.286 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.186 -10.653 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.798 -10.737 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.489 -9.334 -6.143 1.00 0.00 H new ATOM 1453 N ARG A 85 3.427 -7.501 -2.141 1.00 0.00 N ATOM 1454 CA ARG A 85 3.577 -6.897 -0.780 1.00 0.00 C ATOM 1455 C ARG A 85 2.487 -5.851 -0.578 1.00 0.00 C ATOM 1456 O ARG A 85 1.684 -5.600 -1.457 1.00 0.00 O ATOM 1457 CB ARG A 85 4.962 -6.246 -0.665 1.00 0.00 C ATOM 1458 CG ARG A 85 6.035 -7.333 -0.477 1.00 0.00 C ATOM 1459 CD ARG A 85 6.165 -8.194 -1.741 1.00 0.00 C ATOM 1460 NE ARG A 85 7.472 -8.915 -1.709 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.989 -9.391 -2.811 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.373 -9.223 -3.949 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.126 -10.030 -2.774 1.00 0.00 N ATOM 0 H ARG A 85 3.852 -6.964 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 85 3.482 -7.667 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.175 -5.663 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.980 -5.555 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.994 -6.868 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.775 -7.964 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.343 -8.908 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.103 -7.567 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 85 7.963 -9.037 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.486 -8.719 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.778 -9.595 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.611 -10.158 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.530 -10.402 -3.633 1.00 0.00 H new ATOM 1477 N SER A 86 2.448 -5.249 0.583 1.00 0.00 N ATOM 1478 CA SER A 86 1.413 -4.223 0.892 1.00 0.00 C ATOM 1479 C SER A 86 2.105 -2.956 1.355 1.00 0.00 C ATOM 1480 O SER A 86 3.221 -2.971 1.828 1.00 0.00 O ATOM 1481 CB SER A 86 0.503 -4.742 2.007 1.00 0.00 C ATOM 1482 OG SER A 86 -0.442 -5.639 1.445 1.00 0.00 O ATOM 0 H SER A 86 3.104 -5.431 1.343 1.00 0.00 H new ATOM 0 HA SER A 86 0.815 -4.017 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.093 -5.246 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.008 -3.912 2.494 1.00 0.00 H new ATOM 0 HG SER A 86 -0.240 -5.774 0.496 1.00 0.00 H new ATOM 1488 N ASP A 87 1.434 -1.864 1.228 1.00 0.00 N ATOM 1489 CA ASP A 87 2.019 -0.573 1.656 1.00 0.00 C ATOM 1490 C ASP A 87 2.441 -0.683 3.119 1.00 0.00 C ATOM 1491 O ASP A 87 3.405 -0.082 3.550 1.00 0.00 O ATOM 1492 CB ASP A 87 0.974 0.535 1.491 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.373 0.047 2.026 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.382 -0.944 2.737 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.373 0.673 1.716 1.00 0.00 O ATOM 0 H ASP A 87 0.492 -1.804 0.841 1.00 0.00 H new ATOM 0 HA ASP A 87 2.890 -0.333 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.289 1.430 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.882 0.810 0.440 1.00 0.00 H new ATOM 1500 N ASN A 88 1.730 -1.463 3.877 1.00 0.00 N ATOM 1501 CA ASN A 88 2.089 -1.637 5.308 1.00 0.00 C ATOM 1502 C ASN A 88 3.397 -2.419 5.394 1.00 0.00 C ATOM 1503 O ASN A 88 4.152 -2.281 6.331 1.00 0.00 O ATOM 1504 CB ASN A 88 0.982 -2.412 6.023 1.00 0.00 C ATOM 1505 CG ASN A 88 0.655 -3.682 5.234 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.528 -4.480 4.957 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.575 -3.904 4.861 1.00 0.00 N ATOM 0 H ASN A 88 0.913 -1.989 3.567 1.00 0.00 H new ATOM 0 HA ASN A 88 2.207 -0.663 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.299 -2.671 7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.091 -1.791 6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.804 -4.748 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.307 -3.233 5.094 1.00 0.00 H new ATOM 1514 N ASN A 89 3.675 -3.238 4.413 1.00 0.00 N ATOM 1515 CA ASN A 89 4.937 -4.027 4.426 1.00 0.00 C ATOM 1516 C ASN A 89 6.067 -3.152 3.892 1.00 0.00 C ATOM 1517 O ASN A 89 7.222 -3.323 4.228 1.00 0.00 O ATOM 1518 CB ASN A 89 4.763 -5.242 3.516 1.00 0.00 C ATOM 1519 CG ASN A 89 5.932 -6.205 3.716 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.548 -6.223 4.765 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.267 -7.011 2.750 1.00 0.00 N ATOM 0 H ASN A 89 3.078 -3.393 3.601 1.00 0.00 H new ATOM 0 HA ASN A 89 5.172 -4.354 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.822 -5.745 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.714 -4.925 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.046 -7.658 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.750 -6.996 1.871 1.00 0.00 H new ATOM 1528 N ILE A 90 5.727 -2.220 3.048 1.00 0.00 N ATOM 1529 CA ILE A 90 6.751 -1.316 2.454 1.00 0.00 C ATOM 1530 C ILE A 90 7.024 -0.165 3.421 1.00 0.00 C ATOM 1531 O ILE A 90 8.157 0.164 3.710 1.00 0.00 O ATOM 1532 CB ILE A 90 6.208 -0.784 1.125 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.903 -1.980 0.210 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.250 0.115 0.456 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.192 -1.536 -1.078 1.00 0.00 C ATOM 0 H ILE A 90 4.771 -2.043 2.740 1.00 0.00 H new ATOM 0 HA ILE A 90 7.685 -1.850 2.277 1.00 0.00 H new ATOM 0 HB ILE A 90 5.304 -0.202 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.831 -2.492 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.279 -2.697 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.855 0.489 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.480 0.955 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.158 -0.458 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.992 -2.407 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.251 -1.047 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.828 -0.838 -1.623 1.00 0.00 H new ATOM 1547 N ARG A 91 5.990 0.430 3.939 1.00 0.00 N ATOM 1548 CA ARG A 91 6.176 1.543 4.909 1.00 0.00 C ATOM 1549 C ARG A 91 6.853 0.974 6.152 1.00 0.00 C ATOM 1550 O ARG A 91 7.624 1.630 6.823 1.00 0.00 O ATOM 1551 CB ARG A 91 4.798 2.106 5.281 1.00 0.00 C ATOM 1552 CG ARG A 91 4.905 3.112 6.442 1.00 0.00 C ATOM 1553 CD ARG A 91 5.945 4.196 6.124 1.00 0.00 C ATOM 1554 NE ARG A 91 5.705 5.380 6.997 1.00 0.00 N ATOM 1555 CZ ARG A 91 6.462 6.437 6.888 1.00 0.00 C ATOM 1556 NH1 ARG A 91 7.432 6.459 6.015 1.00 0.00 N ATOM 1557 NH2 ARG A 91 6.250 7.474 7.654 1.00 0.00 N ATOM 0 H ARG A 91 5.020 0.193 3.732 1.00 0.00 H new ATOM 0 HA ARG A 91 6.787 2.338 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.355 2.594 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.132 1.290 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.934 3.574 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.184 2.590 7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.951 3.809 6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.878 4.484 5.075 1.00 0.00 H new ATOM 0 HE ARG A 91 4.948 5.364 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.599 5.649 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.023 7.286 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.493 7.457 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.842 8.300 7.569 1.00 0.00 H new ATOM 1571 N ASN A 92 6.556 -0.252 6.460 1.00 0.00 N ATOM 1572 CA ASN A 92 7.159 -0.894 7.663 1.00 0.00 C ATOM 1573 C ASN A 92 8.592 -1.326 7.359 1.00 0.00 C ATOM 1574 O ASN A 92 9.478 -1.171 8.175 1.00 0.00 O ATOM 1575 CB ASN A 92 6.334 -2.120 8.060 1.00 0.00 C ATOM 1576 CG ASN A 92 6.982 -2.810 9.264 1.00 0.00 C ATOM 1577 OD1 ASN A 92 8.062 -3.357 9.156 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.364 -2.807 10.413 1.00 0.00 N ATOM 0 H ASN A 92 5.918 -0.844 5.929 1.00 0.00 H new ATOM 0 HA ASN A 92 7.165 -0.176 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.315 -1.821 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.270 -2.814 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.787 -3.264 11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.458 -2.348 10.503 1.00 0.00 H new ATOM 1585 N ARG A 93 8.835 -1.872 6.197 1.00 0.00 N ATOM 1586 CA ARG A 93 10.224 -2.313 5.872 1.00 0.00 C ATOM 1587 C ARG A 93 11.078 -1.095 5.518 1.00 0.00 C ATOM 1588 O ARG A 93 12.244 -1.025 5.848 1.00 0.00 O ATOM 1589 CB ARG A 93 10.192 -3.286 4.689 1.00 0.00 C ATOM 1590 CG ARG A 93 11.619 -3.792 4.383 1.00 0.00 C ATOM 1591 CD ARG A 93 11.548 -5.141 3.663 1.00 0.00 C ATOM 1592 NE ARG A 93 12.926 -5.606 3.337 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.707 -6.050 4.285 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.282 -6.087 5.518 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.913 -6.457 3.998 1.00 0.00 N ATOM 0 H ARG A 93 8.141 -2.031 5.466 1.00 0.00 H new ATOM 0 HA ARG A 93 10.656 -2.816 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.540 -4.129 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.777 -2.791 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.147 -3.067 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.185 -3.893 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.045 -5.875 4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.959 -5.047 2.750 1.00 0.00 H new ATOM 0 HE ARG A 93 13.259 -5.577 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.339 -5.769 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.893 -6.434 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.245 -6.428 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.524 -6.804 4.738 1.00 0.00 H new ATOM 1609 N TRP A 94 10.501 -0.132 4.857 1.00 0.00 N ATOM 1610 CA TRP A 94 11.266 1.087 4.485 1.00 0.00 C ATOM 1611 C TRP A 94 11.763 1.782 5.754 1.00 0.00 C ATOM 1612 O TRP A 94 12.936 2.046 5.909 1.00 0.00 O ATOM 1613 CB TRP A 94 10.359 2.043 3.709 1.00 0.00 C ATOM 1614 CG TRP A 94 11.161 3.211 3.232 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.032 3.183 2.198 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.183 4.573 3.751 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.588 4.442 2.048 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.096 5.332 2.981 1.00 0.00 C ATOM 1619 CE3 TRP A 94 10.507 5.215 4.803 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.330 6.682 3.247 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 10.739 6.573 5.073 1.00 0.00 C ATOM 1622 CH2 TRP A 94 11.649 7.306 4.297 1.00 0.00 C ATOM 0 H TRP A 94 9.526 -0.138 4.557 1.00 0.00 H new ATOM 0 HA TRP A 94 12.116 0.805 3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 94 9.908 1.527 2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.542 2.384 4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.257 2.320 1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.277 4.682 1.335 1.00 0.00 H new ATOM 0 HE3 TRP A 94 9.805 4.660 5.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.032 7.241 2.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.214 7.056 5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 94 11.823 8.350 4.510 1.00 0.00 H new ATOM 1633 N MET A 95 10.874 2.079 6.660 1.00 0.00 N ATOM 1634 CA MET A 95 11.289 2.763 7.917 1.00 0.00 C ATOM 1635 C MET A 95 12.173 1.830 8.752 1.00 0.00 C ATOM 1636 O MET A 95 12.900 2.268 9.618 1.00 0.00 O ATOM 1637 CB MET A 95 10.045 3.139 8.725 1.00 0.00 C ATOM 1638 CG MET A 95 10.463 3.927 9.967 1.00 0.00 C ATOM 1639 SD MET A 95 8.991 4.590 10.786 1.00 0.00 S ATOM 1640 CE MET A 95 9.851 5.590 12.024 1.00 0.00 C ATOM 0 H MET A 95 9.877 1.878 6.585 1.00 0.00 H new ATOM 0 HA MET A 95 11.852 3.662 7.666 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.368 3.735 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.503 2.240 9.017 1.00 0.00 H new ATOM 0 HG2 MET A 95 11.013 3.282 10.652 1.00 0.00 H new ATOM 0 HG3 MET A 95 11.133 4.740 9.687 1.00 0.00 H new ATOM 0 HE1 MET A 95 9.120 6.099 12.653 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.476 4.945 12.643 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.476 6.329 11.524 1.00 0.00 H new ATOM 1650 N MET A 96 12.121 0.548 8.500 1.00 0.00 N ATOM 1651 CA MET A 96 12.963 -0.402 9.279 1.00 0.00 C ATOM 1652 C MET A 96 14.375 -0.395 8.706 1.00 0.00 C ATOM 1653 O MET A 96 15.350 -0.295 9.423 1.00 0.00 O ATOM 1654 CB MET A 96 12.379 -1.811 9.176 1.00 0.00 C ATOM 1655 CG MET A 96 13.189 -2.764 10.058 1.00 0.00 C ATOM 1656 SD MET A 96 12.368 -4.376 10.118 1.00 0.00 S ATOM 1657 CE MET A 96 13.342 -5.076 11.473 1.00 0.00 C ATOM 0 H MET A 96 11.531 0.119 7.787 1.00 0.00 H new ATOM 0 HA MET A 96 12.985 -0.099 10.326 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.335 -1.807 9.489 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.400 -2.150 8.140 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.199 -2.873 9.662 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.283 -2.354 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 96 12.998 -6.089 11.683 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.394 -5.101 11.190 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.221 -4.460 12.364 1.00 0.00 H new ATOM 1667 N ILE A 97 14.492 -0.508 7.408 1.00 0.00 N ATOM 1668 CA ILE A 97 15.830 -0.519 6.776 1.00 0.00 C ATOM 1669 C ILE A 97 16.330 0.919 6.623 1.00 0.00 C ATOM 1670 O ILE A 97 17.517 1.180 6.640 1.00 0.00 O ATOM 1671 CB ILE A 97 15.709 -1.193 5.404 1.00 0.00 C ATOM 1672 CG1 ILE A 97 17.099 -1.500 4.849 1.00 0.00 C ATOM 1673 CG2 ILE A 97 14.957 -0.278 4.427 1.00 0.00 C ATOM 1674 CD1 ILE A 97 16.947 -2.345 3.588 1.00 0.00 C ATOM 0 H ILE A 97 13.708 -0.593 6.761 1.00 0.00 H new ATOM 0 HA ILE A 97 16.542 -1.069 7.391 1.00 0.00 H new ATOM 0 HB ILE A 97 15.153 -2.123 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 97 17.628 -0.574 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 97 17.693 -2.033 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 97 14.878 -0.768 3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 97 13.958 -0.076 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.500 0.660 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 97 17.932 -2.572 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 97 16.433 -3.274 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 97 16.367 -1.793 2.848 1.00 0.00 H new ATOM 1686 N ALA A 98 15.431 1.855 6.475 1.00 0.00 N ATOM 1687 CA ALA A 98 15.859 3.272 6.323 1.00 0.00 C ATOM 1688 C ALA A 98 16.345 3.790 7.674 1.00 0.00 C ATOM 1689 O ALA A 98 17.028 4.792 7.759 1.00 0.00 O ATOM 1690 CB ALA A 98 14.683 4.124 5.842 1.00 0.00 C ATOM 0 H ALA A 98 14.423 1.699 6.453 1.00 0.00 H new ATOM 0 HA ALA A 98 16.663 3.333 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.005 5.160 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.332 3.750 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.873 4.070 6.569 1.00 0.00 H new ATOM 1696 N ARG A 99 16.001 3.110 8.734 1.00 0.00 N ATOM 1697 CA ARG A 99 16.443 3.554 10.080 1.00 0.00 C ATOM 1698 C ARG A 99 17.931 3.251 10.233 1.00 0.00 C ATOM 1699 O ARG A 99 18.612 3.825 11.058 1.00 0.00 O ATOM 1700 CB ARG A 99 15.651 2.808 11.157 1.00 0.00 C ATOM 1701 CG ARG A 99 16.163 3.206 12.545 1.00 0.00 C ATOM 1702 CD ARG A 99 15.198 2.690 13.616 1.00 0.00 C ATOM 1703 NE ARG A 99 15.812 2.863 14.962 1.00 0.00 N ATOM 1704 CZ ARG A 99 15.928 4.057 15.479 1.00 0.00 C ATOM 1705 NH1 ARG A 99 15.506 5.098 14.816 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.467 4.207 16.658 1.00 0.00 N ATOM 0 H ARG A 99 15.431 2.264 8.722 1.00 0.00 H new ATOM 0 HA ARG A 99 16.269 4.624 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.590 3.042 11.069 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.752 1.732 11.016 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.158 2.793 12.709 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.252 4.290 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.254 3.233 13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.971 1.638 13.440 1.00 0.00 H new ATOM 0 HE ARG A 99 16.142 2.049 15.480 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.086 4.980 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.596 6.031 15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.797 3.392 17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.558 5.139 17.062 1.00 0.00 H new