USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 876 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 7 THR OG1 : rot 124:sc= 1.81 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.838 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.213 (180deg=-0.277) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.961 (180deg=0.935) USER MOD Single : A 2 GLN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.26) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 25 ASN : amide:sc= -0.523 K(o=-0.52,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.993 (180deg=0.917) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0.731 (180deg=0.717) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.122 USER MOD Single : A 59 TYR OH : rot 80:sc= -0.028 USER MOD Single : A 60 ASN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 58:sc= 0.833 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0769 K(o=-0.077,f=-0.67) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.00149 USER MOD Single : B 686 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.19) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -87:sc= 0.831 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.394 1.946 0.466 1.00 0.00 N ATOM 2 CA MET A 1 2.193 1.863 -0.800 1.00 0.00 C ATOM 3 C MET A 1 1.900 3.050 -1.721 1.00 0.00 C ATOM 4 O MET A 1 0.967 3.788 -1.455 1.00 0.00 O ATOM 5 CB MET A 1 1.996 0.532 -1.567 1.00 0.00 C ATOM 6 CG MET A 1 0.640 0.273 -2.247 1.00 0.00 C ATOM 7 SD MET A 1 0.603 -1.361 -3.025 1.00 0.00 S ATOM 8 CE MET A 1 -0.595 -1.119 -4.358 1.00 0.00 C ATOM 0 H1 MET A 1 1.523 1.073 1.016 1.00 0.00 H new ATOM 0 H2 MET A 1 1.717 2.759 1.028 1.00 0.00 H new ATOM 0 H3 MET A 1 0.387 2.064 0.234 1.00 0.00 H new ATOM 0 HA MET A 1 3.237 1.898 -0.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.768 0.473 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.178 -0.284 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.160 0.347 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.453 1.041 -2.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.886 -2.087 -4.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.476 -0.610 -3.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.146 -0.514 -5.145 1.00 0.00 H new ATOM 20 N GLN A 2 2.594 3.195 -2.857 1.00 0.00 N ATOM 21 CA GLN A 2 2.283 4.206 -3.870 1.00 0.00 C ATOM 22 C GLN A 2 2.270 3.594 -5.249 1.00 0.00 C ATOM 23 O GLN A 2 2.974 2.608 -5.473 1.00 0.00 O ATOM 24 CB GLN A 2 3.254 5.410 -3.773 1.00 0.00 C ATOM 25 CG GLN A 2 4.565 5.372 -4.585 1.00 0.00 C ATOM 26 CD GLN A 2 5.600 4.494 -3.904 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.455 4.945 -3.149 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.483 3.203 -4.143 1.00 0.00 N ATOM 0 H GLN A 2 3.393 2.609 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 2 1.282 4.591 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.705 6.302 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.519 5.537 -2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.365 4.994 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.957 6.383 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.759 2.865 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.116 2.542 -3.694 1.00 0.00 H new ATOM 37 N ILE A 3 1.572 4.237 -6.171 1.00 0.00 N ATOM 38 CA ILE A 3 1.537 3.834 -7.576 1.00 0.00 C ATOM 39 C ILE A 3 1.592 5.091 -8.433 1.00 0.00 C ATOM 40 O ILE A 3 1.229 6.171 -7.982 1.00 0.00 O ATOM 41 CB ILE A 3 0.313 2.939 -7.864 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.984 3.500 -7.257 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.562 1.529 -7.288 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.187 3.349 -8.181 1.00 0.00 C ATOM 0 H ILE A 3 1.007 5.062 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 3 2.402 3.219 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 3 0.187 2.904 -8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.189 2.989 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.843 4.555 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.302 0.896 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.447 1.096 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.717 1.598 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.072 3.763 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.999 3.883 -9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.351 2.293 -8.395 1.00 0.00 H new ATOM 56 N PHE A 4 2.086 4.927 -9.650 1.00 0.00 N ATOM 57 CA PHE A 4 2.442 5.987 -10.576 1.00 0.00 C ATOM 58 C PHE A 4 1.418 6.018 -11.692 1.00 0.00 C ATOM 59 O PHE A 4 1.467 5.227 -12.622 1.00 0.00 O ATOM 60 CB PHE A 4 3.860 5.727 -11.114 1.00 0.00 C ATOM 61 CG PHE A 4 4.878 5.191 -10.131 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.127 5.902 -8.952 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.599 4.016 -10.397 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.060 5.436 -8.014 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.573 3.580 -9.482 1.00 0.00 C ATOM 66 CZ PHE A 4 6.801 4.280 -8.288 1.00 0.00 C ATOM 0 H PHE A 4 2.258 4.000 -10.038 1.00 0.00 H new ATOM 0 HA PHE A 4 2.442 6.958 -10.080 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.785 5.022 -11.942 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.244 6.661 -11.524 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.594 6.822 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.407 3.452 -11.298 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.206 5.966 -7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.153 2.695 -9.701 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.543 3.930 -7.585 1.00 0.00 H new ATOM 76 N VAL A 5 0.446 6.904 -11.620 1.00 0.00 N ATOM 77 CA VAL A 5 -0.560 7.000 -12.675 1.00 0.00 C ATOM 78 C VAL A 5 0.020 7.929 -13.729 1.00 0.00 C ATOM 79 O VAL A 5 0.084 9.136 -13.537 1.00 0.00 O ATOM 80 CB VAL A 5 -1.927 7.400 -12.098 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.022 7.368 -13.181 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.273 6.451 -10.940 1.00 0.00 C ATOM 0 H VAL A 5 0.325 7.565 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.774 6.045 -13.154 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.874 8.424 -11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.977 7.656 -12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.765 8.065 -13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.100 6.361 -13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.242 6.725 -10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.314 5.426 -11.309 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.509 6.528 -10.166 1.00 0.00 H new ATOM 92 N LYS A 6 0.521 7.376 -14.830 1.00 0.00 N ATOM 93 CA LYS A 6 0.989 8.172 -15.955 1.00 0.00 C ATOM 94 C LYS A 6 -0.256 8.753 -16.594 1.00 0.00 C ATOM 95 O LYS A 6 -1.146 7.996 -16.985 1.00 0.00 O ATOM 96 CB LYS A 6 1.820 7.286 -16.904 1.00 0.00 C ATOM 97 CG LYS A 6 2.574 8.159 -17.918 1.00 0.00 C ATOM 98 CD LYS A 6 3.478 7.361 -18.870 1.00 0.00 C ATOM 99 CE LYS A 6 4.471 8.278 -19.616 1.00 0.00 C ATOM 100 NZ LYS A 6 5.509 7.497 -20.341 1.00 0.00 N ATOM 0 H LYS A 6 0.613 6.369 -14.965 1.00 0.00 H new ATOM 0 HA LYS A 6 1.654 8.985 -15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.528 6.689 -16.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.166 6.589 -17.428 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.851 8.724 -18.506 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.182 8.885 -17.378 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.030 6.611 -18.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.863 6.826 -19.593 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.927 8.903 -20.324 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.952 8.948 -18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.176 8.149 -20.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.023 6.894 -19.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.055 6.901 -21.062 1.00 0.00 H new ATOM 114 N THR A 7 -0.365 10.074 -16.694 1.00 0.00 N ATOM 115 CA THR A 7 -1.435 10.614 -17.501 1.00 0.00 C ATOM 116 C THR A 7 -1.146 10.281 -18.940 1.00 0.00 C ATOM 117 O THR A 7 -0.019 9.993 -19.313 1.00 0.00 O ATOM 118 CB THR A 7 -1.643 12.105 -17.301 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.425 12.762 -17.532 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.122 12.368 -15.890 1.00 0.00 C ATOM 0 H THR A 7 0.246 10.757 -16.247 1.00 0.00 H new ATOM 0 HA THR A 7 -2.374 10.158 -17.187 1.00 0.00 H new ATOM 0 HB THR A 7 -2.396 12.476 -17.996 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.548 13.446 -18.223 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.270 13.439 -15.750 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.064 11.846 -15.722 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.377 12.009 -15.180 1.00 0.00 H new ATOM 128 N LEU A 8 -2.167 10.382 -19.763 1.00 0.00 N ATOM 129 CA LEU A 8 -1.995 10.315 -21.195 1.00 0.00 C ATOM 130 C LEU A 8 -1.112 11.484 -21.684 1.00 0.00 C ATOM 131 O LEU A 8 -0.652 11.387 -22.812 1.00 0.00 O ATOM 132 CB LEU A 8 -3.396 10.281 -21.830 1.00 0.00 C ATOM 133 CG LEU A 8 -4.025 9.009 -22.398 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.481 9.258 -22.811 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.355 8.549 -23.681 1.00 0.00 C ATOM 0 H LEU A 8 -3.132 10.512 -19.460 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.466 9.412 -21.498 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.087 10.656 -21.075 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.385 11.009 -22.641 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.922 8.269 -21.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.908 8.339 -23.212 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.057 9.576 -21.942 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.515 10.037 -23.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.841 7.642 -24.040 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.440 9.330 -24.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.302 8.344 -23.488 1.00 0.00 H new ATOM 147 N THR A 9 -0.835 12.580 -20.942 1.00 0.00 N ATOM 148 CA THR A 9 0.208 13.533 -21.371 1.00 0.00 C ATOM 149 C THR A 9 1.549 12.866 -21.145 1.00 0.00 C ATOM 150 O THR A 9 2.459 12.926 -21.969 1.00 0.00 O ATOM 151 CB THR A 9 0.247 14.836 -20.551 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.611 14.770 -19.436 1.00 0.00 O ATOM 153 CG2 THR A 9 -0.088 16.047 -21.394 1.00 0.00 C ATOM 0 H THR A 9 -1.304 12.821 -20.069 1.00 0.00 H new ATOM 0 HA THR A 9 -0.010 13.789 -22.408 1.00 0.00 H new ATOM 0 HB THR A 9 1.271 14.947 -20.195 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.562 15.611 -18.936 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.049 16.943 -20.775 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.633 16.135 -22.207 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.090 15.936 -21.808 1.00 0.00 H new ATOM 161 N GLY A 10 1.625 12.217 -19.989 1.00 0.00 N ATOM 162 CA GLY A 10 2.793 11.579 -19.467 1.00 0.00 C ATOM 163 C GLY A 10 3.289 12.283 -18.223 1.00 0.00 C ATOM 164 O GLY A 10 4.473 12.199 -17.907 1.00 0.00 O ATOM 0 H GLY A 10 0.820 12.126 -19.369 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.569 10.538 -19.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.578 11.575 -20.224 1.00 0.00 H new ATOM 168 N LYS A 11 2.390 12.984 -17.521 1.00 0.00 N ATOM 169 CA LYS A 11 2.704 13.509 -16.208 1.00 0.00 C ATOM 170 C LYS A 11 2.386 12.366 -15.283 1.00 0.00 C ATOM 171 O LYS A 11 1.224 11.999 -15.133 1.00 0.00 O ATOM 172 CB LYS A 11 1.880 14.763 -15.915 1.00 0.00 C ATOM 173 CG LYS A 11 2.143 15.291 -14.490 1.00 0.00 C ATOM 174 CD LYS A 11 1.230 14.780 -13.362 1.00 0.00 C ATOM 175 CE LYS A 11 -0.272 14.801 -13.674 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.845 16.168 -13.805 1.00 0.00 N ATOM 0 H LYS A 11 1.447 13.194 -17.847 1.00 0.00 H new ATOM 0 HA LYS A 11 3.739 13.832 -16.101 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.123 15.538 -16.642 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.820 14.538 -16.031 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.172 15.047 -14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.069 16.378 -14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.519 13.758 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.408 15.383 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.448 14.254 -14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.804 14.270 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.879 16.104 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.607 16.727 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.451 16.630 -14.649 1.00 0.00 H new ATOM 190 N THR A 12 3.398 11.762 -14.707 1.00 0.00 N ATOM 191 CA THR A 12 3.183 10.655 -13.806 1.00 0.00 C ATOM 192 C THR A 12 2.815 11.234 -12.450 1.00 0.00 C ATOM 193 O THR A 12 3.633 11.877 -11.793 1.00 0.00 O ATOM 194 CB THR A 12 4.420 9.763 -13.827 1.00 0.00 C ATOM 195 OG1 THR A 12 4.924 9.648 -15.149 1.00 0.00 O ATOM 196 CG2 THR A 12 4.015 8.369 -13.375 1.00 0.00 C ATOM 0 H THR A 12 4.376 12.017 -14.845 1.00 0.00 H new ATOM 0 HA THR A 12 2.357 10.007 -14.099 1.00 0.00 H new ATOM 0 HB THR A 12 5.179 10.197 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.719 9.074 -15.147 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.888 7.716 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.608 8.418 -12.365 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.258 7.972 -14.052 1.00 0.00 H new ATOM 204 N ILE A 13 1.549 11.047 -12.072 1.00 0.00 N ATOM 205 CA ILE A 13 1.027 11.459 -10.783 1.00 0.00 C ATOM 206 C ILE A 13 1.164 10.237 -9.900 1.00 0.00 C ATOM 207 O ILE A 13 0.488 9.231 -10.105 1.00 0.00 O ATOM 208 CB ILE A 13 -0.405 12.046 -10.888 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.247 11.940 -9.583 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.248 11.618 -12.098 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.463 11.003 -9.593 1.00 0.00 C ATOM 0 H ILE A 13 0.853 10.598 -12.667 1.00 0.00 H new ATOM 0 HA ILE A 13 1.579 12.292 -10.347 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.164 13.095 -11.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.583 11.619 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.596 12.940 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.225 12.099 -12.049 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.742 11.915 -13.017 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.376 10.536 -12.088 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.952 11.031 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.165 11.327 -10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.136 9.985 -9.806 1.00 0.00 H new ATOM 223 N THR A 14 2.050 10.317 -8.926 1.00 0.00 N ATOM 224 CA THR A 14 2.218 9.275 -7.935 1.00 0.00 C ATOM 225 C THR A 14 1.163 9.516 -6.855 1.00 0.00 C ATOM 226 O THR A 14 0.829 10.666 -6.544 1.00 0.00 O ATOM 227 CB THR A 14 3.663 9.317 -7.426 1.00 0.00 C ATOM 228 OG1 THR A 14 4.535 9.295 -8.547 1.00 0.00 O ATOM 229 CG2 THR A 14 3.984 8.119 -6.516 1.00 0.00 C ATOM 0 H THR A 14 2.677 11.112 -8.800 1.00 0.00 H new ATOM 0 HA THR A 14 2.066 8.270 -8.328 1.00 0.00 H new ATOM 0 HB THR A 14 3.796 10.226 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.465 9.323 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.018 8.187 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.318 8.128 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.845 7.192 -7.072 1.00 0.00 H new ATOM 237 N LEU A 15 0.620 8.434 -6.303 1.00 0.00 N ATOM 238 CA LEU A 15 -0.406 8.493 -5.275 1.00 0.00 C ATOM 239 C LEU A 15 -0.209 7.347 -4.322 1.00 0.00 C ATOM 240 O LEU A 15 0.222 6.289 -4.770 1.00 0.00 O ATOM 241 CB LEU A 15 -1.799 8.487 -5.933 1.00 0.00 C ATOM 242 CG LEU A 15 -2.216 7.209 -6.680 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.952 6.241 -5.761 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.218 7.563 -7.770 1.00 0.00 C ATOM 0 H LEU A 15 0.885 7.484 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.329 9.417 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.540 8.683 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.845 9.319 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.303 6.759 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.232 5.349 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.302 5.960 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.849 6.721 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.514 6.658 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.097 8.024 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.761 8.261 -8.471 1.00 0.00 H new ATOM 256 N GLU A 16 -0.566 7.519 -3.054 1.00 0.00 N ATOM 257 CA GLU A 16 -0.387 6.495 -2.038 1.00 0.00 C ATOM 258 C GLU A 16 -1.738 5.875 -1.690 1.00 0.00 C ATOM 259 O GLU A 16 -2.722 6.578 -1.447 1.00 0.00 O ATOM 260 CB GLU A 16 0.378 7.043 -0.826 1.00 0.00 C ATOM 261 CG GLU A 16 1.897 6.971 -1.045 1.00 0.00 C ATOM 262 CD GLU A 16 2.668 7.630 0.114 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.909 8.859 0.067 1.00 0.00 O ATOM 264 OE2 GLU A 16 3.045 6.919 1.077 1.00 0.00 O ATOM 0 H GLU A 16 -0.990 8.378 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 16 0.237 5.692 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.083 8.077 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.109 6.474 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.203 5.929 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.154 7.466 -1.982 1.00 0.00 H new ATOM 271 N VAL A 17 -1.759 4.547 -1.747 1.00 0.00 N ATOM 272 CA VAL A 17 -2.899 3.639 -1.634 1.00 0.00 C ATOM 273 C VAL A 17 -2.424 2.321 -1.014 1.00 0.00 C ATOM 274 O VAL A 17 -1.287 2.198 -0.562 1.00 0.00 O ATOM 275 CB VAL A 17 -3.528 3.412 -3.030 1.00 0.00 C ATOM 276 CG1 VAL A 17 -4.457 4.562 -3.412 1.00 0.00 C ATOM 277 CG2 VAL A 17 -2.462 3.163 -4.106 1.00 0.00 C ATOM 0 H VAL A 17 -0.893 4.027 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.665 4.071 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.132 2.507 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.883 4.373 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.259 4.641 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.892 5.494 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.947 3.009 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.799 4.026 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.882 2.277 -3.846 1.00 0.00 H new ATOM 287 N GLU A 18 -3.276 1.304 -1.058 1.00 0.00 N ATOM 288 CA GLU A 18 -3.018 -0.058 -0.601 1.00 0.00 C ATOM 289 C GLU A 18 -3.272 -0.994 -1.787 1.00 0.00 C ATOM 290 O GLU A 18 -4.016 -0.614 -2.693 1.00 0.00 O ATOM 291 CB GLU A 18 -3.976 -0.414 0.558 1.00 0.00 C ATOM 292 CG GLU A 18 -3.953 0.571 1.735 1.00 0.00 C ATOM 293 CD GLU A 18 -2.552 0.803 2.342 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.722 -0.138 2.381 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.284 1.931 2.821 1.00 0.00 O ATOM 0 H GLU A 18 -4.218 1.412 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.993 -0.156 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.992 -0.469 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.723 -1.407 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.354 1.528 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.618 0.202 2.516 1.00 0.00 H new ATOM 302 N PRO A 19 -2.728 -2.225 -1.820 1.00 0.00 N ATOM 303 CA PRO A 19 -3.120 -3.211 -2.828 1.00 0.00 C ATOM 304 C PRO A 19 -4.638 -3.460 -2.853 1.00 0.00 C ATOM 305 O PRO A 19 -5.239 -3.680 -3.900 1.00 0.00 O ATOM 306 CB PRO A 19 -2.354 -4.486 -2.468 1.00 0.00 C ATOM 307 CG PRO A 19 -1.221 -4.043 -1.551 1.00 0.00 C ATOM 308 CD PRO A 19 -1.778 -2.794 -0.872 1.00 0.00 C ATOM 0 HA PRO A 19 -2.879 -2.856 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.003 -5.205 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.966 -4.975 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.968 -4.815 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.313 -3.823 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.266 -3.044 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.983 -2.086 -0.641 1.00 0.00 H new ATOM 316 N SER A 20 -5.287 -3.357 -1.701 1.00 0.00 N ATOM 317 CA SER A 20 -6.694 -3.634 -1.488 1.00 0.00 C ATOM 318 C SER A 20 -7.516 -2.369 -1.657 1.00 0.00 C ATOM 319 O SER A 20 -8.722 -2.384 -1.396 1.00 0.00 O ATOM 320 CB SER A 20 -6.834 -4.247 -0.083 1.00 0.00 C ATOM 321 OG SER A 20 -6.027 -3.541 0.858 1.00 0.00 O ATOM 0 H SER A 20 -4.817 -3.061 -0.846 1.00 0.00 H new ATOM 0 HA SER A 20 -7.075 -4.340 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.878 -4.216 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.539 -5.296 -0.108 1.00 0.00 H new ATOM 0 HG SER A 20 -6.131 -3.944 1.745 1.00 0.00 H new ATOM 327 N ASP A 21 -6.896 -1.266 -2.090 1.00 0.00 N ATOM 328 CA ASP A 21 -7.626 -0.043 -2.275 1.00 0.00 C ATOM 329 C ASP A 21 -8.312 -0.142 -3.630 1.00 0.00 C ATOM 330 O ASP A 21 -7.735 -0.650 -4.609 1.00 0.00 O ATOM 331 CB ASP A 21 -6.704 1.170 -2.134 1.00 0.00 C ATOM 332 CG ASP A 21 -7.175 2.202 -1.095 1.00 0.00 C ATOM 333 OD1 ASP A 21 -8.344 2.167 -0.644 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.333 3.063 -0.744 1.00 0.00 O ATOM 0 H ASP A 21 -5.902 -1.211 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.385 0.099 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.707 0.825 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.617 1.661 -3.103 1.00 0.00 H new ATOM 339 N THR A 22 -9.570 0.280 -3.668 1.00 0.00 N ATOM 340 CA THR A 22 -10.413 0.134 -4.835 1.00 0.00 C ATOM 341 C THR A 22 -10.081 1.162 -5.887 1.00 0.00 C ATOM 342 O THR A 22 -9.651 2.276 -5.587 1.00 0.00 O ATOM 343 CB THR A 22 -11.905 0.221 -4.481 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.105 1.257 -3.530 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.381 -1.113 -3.927 1.00 0.00 C ATOM 0 H THR A 22 -10.032 0.736 -2.881 1.00 0.00 H new ATOM 0 HA THR A 22 -10.213 -0.859 -5.237 1.00 0.00 H new ATOM 0 HB THR A 22 -12.482 0.449 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.057 1.315 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.440 -1.046 -3.677 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.233 -1.891 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.812 -1.359 -3.031 1.00 0.00 H new ATOM 353 N ILE A 23 -10.373 0.802 -7.127 1.00 0.00 N ATOM 354 CA ILE A 23 -10.311 1.702 -8.261 1.00 0.00 C ATOM 355 C ILE A 23 -11.219 2.907 -8.035 1.00 0.00 C ATOM 356 O ILE A 23 -10.820 3.996 -8.415 1.00 0.00 O ATOM 357 CB ILE A 23 -10.665 0.936 -9.536 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.785 -0.312 -9.760 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.615 1.825 -10.785 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.356 -0.307 -9.205 1.00 0.00 C ATOM 0 H ILE A 23 -10.665 -0.143 -7.375 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.298 2.089 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.691 0.602 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.306 -1.167 -9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.723 -0.486 -10.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.874 1.234 -11.663 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.325 2.645 -10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.610 2.229 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.869 -1.253 -9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.795 0.513 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.386 -0.178 -8.123 1.00 0.00 H new ATOM 372 N GLU A 24 -12.380 2.758 -7.390 1.00 0.00 N ATOM 373 CA GLU A 24 -13.237 3.894 -7.037 1.00 0.00 C ATOM 374 C GLU A 24 -12.426 4.927 -6.251 1.00 0.00 C ATOM 375 O GLU A 24 -12.378 6.108 -6.606 1.00 0.00 O ATOM 376 CB GLU A 24 -14.431 3.382 -6.215 1.00 0.00 C ATOM 377 CG GLU A 24 -15.410 4.497 -5.828 1.00 0.00 C ATOM 378 CD GLU A 24 -16.623 3.929 -5.064 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.540 3.782 -3.820 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.669 3.638 -5.699 1.00 0.00 O ATOM 0 H GLU A 24 -12.750 1.853 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.614 4.377 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.962 2.622 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.062 2.899 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.900 5.235 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.751 5.014 -6.725 1.00 0.00 H new ATOM 387 N ASN A 25 -11.723 4.460 -5.216 1.00 0.00 N ATOM 388 CA ASN A 25 -10.903 5.325 -4.375 1.00 0.00 C ATOM 389 C ASN A 25 -9.717 5.889 -5.160 1.00 0.00 C ATOM 390 O ASN A 25 -9.407 7.068 -5.039 1.00 0.00 O ATOM 391 CB ASN A 25 -10.490 4.580 -3.087 1.00 0.00 C ATOM 392 CG ASN A 25 -8.982 4.568 -2.878 1.00 0.00 C ATOM 393 OD1 ASN A 25 -8.413 5.465 -2.267 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.313 3.584 -3.450 1.00 0.00 N ATOM 0 H ASN A 25 -11.708 3.478 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.490 6.189 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.969 5.052 -2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.855 3.554 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.295 3.557 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.814 2.851 -3.952 1.00 0.00 H new ATOM 401 N VAL A 26 -9.080 5.087 -6.014 1.00 0.00 N ATOM 402 CA VAL A 26 -7.949 5.531 -6.822 1.00 0.00 C ATOM 403 C VAL A 26 -8.417 6.654 -7.739 1.00 0.00 C ATOM 404 O VAL A 26 -7.832 7.730 -7.744 1.00 0.00 O ATOM 405 CB VAL A 26 -7.414 4.327 -7.607 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.421 4.737 -8.694 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.748 3.276 -6.712 1.00 0.00 C ATOM 0 H VAL A 26 -9.336 4.111 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.140 5.920 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.297 3.886 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.071 3.849 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.910 5.409 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.572 5.246 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.390 2.449 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.907 3.727 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.472 2.903 -5.988 1.00 0.00 H new ATOM 417 N LYS A 27 -9.498 6.451 -8.489 1.00 0.00 N ATOM 418 CA LYS A 27 -10.055 7.491 -9.342 1.00 0.00 C ATOM 419 C LYS A 27 -10.409 8.746 -8.561 1.00 0.00 C ATOM 420 O LYS A 27 -10.204 9.835 -9.089 1.00 0.00 O ATOM 421 CB LYS A 27 -11.304 6.968 -10.057 1.00 0.00 C ATOM 422 CG LYS A 27 -11.093 5.879 -11.115 1.00 0.00 C ATOM 423 CD LYS A 27 -12.485 5.526 -11.659 1.00 0.00 C ATOM 424 CE LYS A 27 -12.438 4.680 -12.932 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.788 4.604 -13.574 1.00 0.00 N ATOM 0 H LYS A 27 -10.007 5.568 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.289 7.756 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.989 6.580 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.800 7.813 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.443 6.235 -11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.613 5.003 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.041 4.987 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.033 6.446 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.722 5.109 -13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.088 3.676 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.781 3.870 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.501 4.366 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.021 5.523 -14.002 1.00 0.00 H new ATOM 439 N ALA A 28 -10.884 8.634 -7.323 1.00 0.00 N ATOM 440 CA ALA A 28 -11.122 9.812 -6.491 1.00 0.00 C ATOM 441 C ALA A 28 -9.808 10.544 -6.196 1.00 0.00 C ATOM 442 O ALA A 28 -9.760 11.770 -6.265 1.00 0.00 O ATOM 443 CB ALA A 28 -11.830 9.421 -5.192 1.00 0.00 C ATOM 0 H ALA A 28 -11.111 7.746 -6.875 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.772 10.493 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.998 10.312 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.787 8.955 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.210 8.717 -4.637 1.00 0.00 H new ATOM 449 N LYS A 29 -8.713 9.807 -5.964 1.00 0.00 N ATOM 450 CA LYS A 29 -7.384 10.413 -5.804 1.00 0.00 C ATOM 451 C LYS A 29 -6.964 11.075 -7.108 1.00 0.00 C ATOM 452 O LYS A 29 -6.390 12.153 -7.094 1.00 0.00 O ATOM 453 CB LYS A 29 -6.344 9.382 -5.327 1.00 0.00 C ATOM 454 CG LYS A 29 -6.685 8.881 -3.918 1.00 0.00 C ATOM 455 CD LYS A 29 -5.767 7.764 -3.404 1.00 0.00 C ATOM 456 CE LYS A 29 -6.067 7.516 -1.911 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.082 8.161 -0.996 1.00 0.00 N ATOM 0 H LYS A 29 -8.721 8.790 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.439 11.177 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.314 8.541 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.351 9.832 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.638 9.721 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.714 8.521 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.927 6.851 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.722 8.044 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.065 7.890 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.078 6.442 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.428 8.103 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.167 7.671 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.963 9.159 -1.262 1.00 0.00 H new ATOM 471 N ILE A 30 -7.308 10.490 -8.254 1.00 0.00 N ATOM 472 CA ILE A 30 -6.957 11.082 -9.549 1.00 0.00 C ATOM 473 C ILE A 30 -7.712 12.386 -9.701 1.00 0.00 C ATOM 474 O ILE A 30 -7.116 13.360 -10.105 1.00 0.00 O ATOM 475 CB ILE A 30 -7.254 10.148 -10.739 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.603 8.756 -10.681 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.829 10.812 -12.065 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.371 8.669 -9.792 1.00 0.00 C ATOM 0 H ILE A 30 -7.826 9.613 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.881 11.254 -9.561 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.331 9.990 -10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.342 8.038 -10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.327 8.456 -11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.046 10.139 -12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.380 11.743 -12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.760 11.024 -12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.979 7.652 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.610 9.358 -10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.641 8.934 -8.770 1.00 0.00 H new ATOM 490 N GLN A 31 -8.986 12.451 -9.349 1.00 0.00 N ATOM 491 CA GLN A 31 -9.750 13.683 -9.364 1.00 0.00 C ATOM 492 C GLN A 31 -9.091 14.710 -8.452 1.00 0.00 C ATOM 493 O GLN A 31 -9.033 15.880 -8.819 1.00 0.00 O ATOM 494 CB GLN A 31 -11.199 13.443 -8.936 1.00 0.00 C ATOM 495 CG GLN A 31 -12.086 14.677 -9.204 1.00 0.00 C ATOM 496 CD GLN A 31 -12.769 15.145 -7.929 1.00 0.00 C ATOM 497 OE1 GLN A 31 -12.209 15.890 -7.131 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.991 14.687 -7.717 1.00 0.00 N ATOM 0 H GLN A 31 -9.522 11.640 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.764 14.065 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.599 12.584 -9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.229 13.197 -7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.478 15.484 -9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.838 14.433 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.430 14.069 -8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.495 14.952 -6.871 1.00 0.00 H new ATOM 507 N ASP A 32 -8.539 14.276 -7.321 1.00 0.00 N ATOM 508 CA ASP A 32 -7.876 15.192 -6.416 1.00 0.00 C ATOM 509 C ASP A 32 -6.606 15.767 -7.053 1.00 0.00 C ATOM 510 O ASP A 32 -6.250 16.912 -6.757 1.00 0.00 O ATOM 511 CB ASP A 32 -7.562 14.517 -5.081 1.00 0.00 C ATOM 512 CG ASP A 32 -6.973 15.530 -4.083 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.713 16.440 -3.637 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.780 15.404 -3.717 1.00 0.00 O ATOM 0 H ASP A 32 -8.541 13.302 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.558 16.019 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.470 14.078 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.856 13.701 -5.238 1.00 0.00 H new ATOM 519 N LYS A 33 -5.939 15.027 -7.967 1.00 0.00 N ATOM 520 CA LYS A 33 -4.660 15.463 -8.537 1.00 0.00 C ATOM 521 C LYS A 33 -4.794 16.046 -9.954 1.00 0.00 C ATOM 522 O LYS A 33 -3.999 16.901 -10.342 1.00 0.00 O ATOM 523 CB LYS A 33 -3.615 14.361 -8.359 1.00 0.00 C ATOM 524 CG LYS A 33 -3.530 14.016 -6.851 1.00 0.00 C ATOM 525 CD LYS A 33 -2.284 13.276 -6.367 1.00 0.00 C ATOM 526 CE LYS A 33 -0.987 14.098 -6.472 1.00 0.00 C ATOM 527 NZ LYS A 33 0.159 13.437 -5.774 1.00 0.00 N ATOM 0 H LYS A 33 -6.270 14.129 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.289 16.322 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.891 13.478 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.645 14.693 -8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.609 14.946 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.401 13.413 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.431 12.979 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.170 12.360 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.735 14.244 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.150 15.087 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.029 13.982 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.033 13.397 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.279 12.471 -6.141 1.00 0.00 H new ATOM 541 N GLU A 34 -5.852 15.669 -10.679 1.00 0.00 N ATOM 542 CA GLU A 34 -6.063 15.930 -12.105 1.00 0.00 C ATOM 543 C GLU A 34 -7.334 16.720 -12.392 1.00 0.00 C ATOM 544 O GLU A 34 -7.406 17.426 -13.398 1.00 0.00 O ATOM 545 CB GLU A 34 -6.156 14.579 -12.842 1.00 0.00 C ATOM 546 CG GLU A 34 -4.887 13.727 -12.701 1.00 0.00 C ATOM 547 CD GLU A 34 -3.608 14.546 -12.893 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.427 15.170 -13.963 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.784 14.587 -11.957 1.00 0.00 O ATOM 0 H GLU A 34 -6.624 15.147 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.221 16.531 -12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.007 14.019 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.348 14.761 -13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.873 13.262 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.912 12.920 -13.433 1.00 0.00 H new ATOM 556 N GLY A 35 -8.347 16.597 -11.537 1.00 0.00 N ATOM 557 CA GLY A 35 -9.556 17.401 -11.611 1.00 0.00 C ATOM 558 C GLY A 35 -10.578 16.779 -12.550 1.00 0.00 C ATOM 559 O GLY A 35 -11.381 17.500 -13.132 1.00 0.00 O ATOM 0 H GLY A 35 -8.348 15.928 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.989 17.503 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.307 18.405 -11.955 1.00 0.00 H new ATOM 563 N ILE A 36 -10.539 15.449 -12.721 1.00 0.00 N ATOM 564 CA ILE A 36 -11.445 14.728 -13.602 1.00 0.00 C ATOM 565 C ILE A 36 -12.291 13.881 -12.674 1.00 0.00 C ATOM 566 O ILE A 36 -11.704 13.134 -11.896 1.00 0.00 O ATOM 567 CB ILE A 36 -10.636 13.837 -14.552 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.688 14.660 -15.440 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.592 13.023 -15.437 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.603 13.738 -15.971 1.00 0.00 C ATOM 0 H ILE A 36 -9.869 14.846 -12.244 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.053 15.391 -14.217 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.028 13.168 -13.943 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.239 15.112 -16.265 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.246 15.475 -14.868 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.014 12.391 -16.111 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.227 12.398 -14.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.214 13.702 -16.020 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.921 14.306 -16.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.050 13.308 -15.136 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.059 12.938 -16.555 1.00 0.00 H new ATOM 582 N PRO A 37 -13.625 13.931 -12.744 1.00 0.00 N ATOM 583 CA PRO A 37 -14.481 13.101 -11.914 1.00 0.00 C ATOM 584 C PRO A 37 -14.207 11.614 -12.149 1.00 0.00 C ATOM 585 O PRO A 37 -13.855 11.231 -13.263 1.00 0.00 O ATOM 586 CB PRO A 37 -15.921 13.513 -12.235 1.00 0.00 C ATOM 587 CG PRO A 37 -15.833 14.659 -13.248 1.00 0.00 C ATOM 588 CD PRO A 37 -14.382 14.682 -13.722 1.00 0.00 C ATOM 0 HA PRO A 37 -14.286 13.250 -10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.481 12.674 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.443 13.832 -11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.515 14.497 -14.083 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.110 15.608 -12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.289 14.236 -14.712 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.013 15.705 -13.797 1.00 0.00 H new ATOM 596 N PRO A 38 -14.398 10.743 -11.146 1.00 0.00 N ATOM 597 CA PRO A 38 -14.152 9.314 -11.319 1.00 0.00 C ATOM 598 C PRO A 38 -15.058 8.713 -12.377 1.00 0.00 C ATOM 599 O PRO A 38 -14.616 7.863 -13.145 1.00 0.00 O ATOM 600 CB PRO A 38 -14.411 8.682 -9.954 1.00 0.00 C ATOM 601 CG PRO A 38 -15.297 9.681 -9.209 1.00 0.00 C ATOM 602 CD PRO A 38 -14.850 11.025 -9.784 1.00 0.00 C ATOM 0 HA PRO A 38 -13.134 9.131 -11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.906 7.716 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.478 8.507 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.356 9.496 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.144 9.631 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.670 11.743 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.048 11.459 -9.187 1.00 0.00 H new ATOM 610 N ASP A 39 -16.285 9.222 -12.485 1.00 0.00 N ATOM 611 CA ASP A 39 -17.248 8.715 -13.462 1.00 0.00 C ATOM 612 C ASP A 39 -16.798 8.985 -14.900 1.00 0.00 C ATOM 613 O ASP A 39 -17.253 8.316 -15.821 1.00 0.00 O ATOM 614 CB ASP A 39 -18.631 9.321 -13.186 1.00 0.00 C ATOM 615 CG ASP A 39 -19.702 8.838 -14.180 1.00 0.00 C ATOM 616 OD1 ASP A 39 -20.251 7.724 -14.005 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.029 9.572 -15.137 1.00 0.00 O ATOM 0 H ASP A 39 -16.636 9.986 -11.907 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.309 7.632 -13.354 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.940 9.064 -12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.562 10.408 -13.232 1.00 0.00 H new ATOM 622 N GLN A 40 -15.855 9.916 -15.095 1.00 0.00 N ATOM 623 CA GLN A 40 -15.314 10.279 -16.408 1.00 0.00 C ATOM 624 C GLN A 40 -13.974 9.582 -16.675 1.00 0.00 C ATOM 625 O GLN A 40 -13.517 9.581 -17.816 1.00 0.00 O ATOM 626 CB GLN A 40 -15.182 11.817 -16.454 1.00 0.00 C ATOM 627 CG GLN A 40 -14.707 12.434 -17.784 1.00 0.00 C ATOM 628 CD GLN A 40 -15.704 12.284 -18.934 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.649 11.341 -19.722 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.637 13.213 -19.048 1.00 0.00 N ATOM 0 H GLN A 40 -15.440 10.447 -14.329 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.987 9.944 -17.197 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -16.152 12.249 -16.206 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.488 12.122 -15.671 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.505 13.494 -17.629 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.764 11.969 -18.072 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.668 13.988 -18.386 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.326 13.155 -19.798 1.00 0.00 H new ATOM 639 N GLN A 41 -13.316 8.989 -15.675 1.00 0.00 N ATOM 640 CA GLN A 41 -12.036 8.324 -15.888 1.00 0.00 C ATOM 641 C GLN A 41 -12.271 6.931 -16.434 1.00 0.00 C ATOM 642 O GLN A 41 -13.176 6.221 -16.012 1.00 0.00 O ATOM 643 CB GLN A 41 -11.273 8.231 -14.556 1.00 0.00 C ATOM 644 CG GLN A 41 -10.685 9.580 -14.120 1.00 0.00 C ATOM 645 CD GLN A 41 -10.294 9.533 -12.662 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.628 8.599 -12.251 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.727 10.473 -11.838 1.00 0.00 N ATOM 0 H GLN A 41 -13.652 8.958 -14.712 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.447 8.899 -16.603 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.945 7.864 -13.781 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.469 7.502 -14.652 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.814 9.819 -14.730 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.415 10.373 -14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.284 11.249 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.504 10.422 -10.844 1.00 0.00 H new ATOM 656 N ARG A 42 -11.352 6.516 -17.297 1.00 0.00 N ATOM 657 CA ARG A 42 -11.233 5.171 -17.833 1.00 0.00 C ATOM 658 C ARG A 42 -9.821 4.789 -17.451 1.00 0.00 C ATOM 659 O ARG A 42 -8.874 5.278 -18.045 1.00 0.00 O ATOM 660 CB ARG A 42 -11.502 5.267 -19.338 1.00 0.00 C ATOM 661 CG ARG A 42 -11.560 3.925 -20.080 1.00 0.00 C ATOM 662 CD ARG A 42 -11.947 4.195 -21.544 1.00 0.00 C ATOM 663 NE ARG A 42 -12.291 2.982 -22.322 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.515 2.438 -22.453 1.00 0.00 C ATOM 665 NH1 ARG A 42 -14.505 2.756 -21.622 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.744 1.575 -23.432 1.00 0.00 N ATOM 0 H ARG A 42 -10.634 7.143 -17.659 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.927 4.416 -17.463 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.447 5.788 -19.489 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.724 5.881 -19.791 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.594 3.422 -20.030 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.289 3.264 -19.611 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.798 4.876 -21.562 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.120 4.705 -22.037 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.525 2.513 -22.806 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.343 3.424 -20.868 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.425 2.332 -21.739 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.995 1.328 -24.079 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.669 1.158 -23.538 1.00 0.00 H new ATOM 680 N LEU A 43 -9.663 4.085 -16.344 1.00 0.00 N ATOM 681 CA LEU A 43 -8.336 3.811 -15.809 1.00 0.00 C ATOM 682 C LEU A 43 -7.855 2.590 -16.558 1.00 0.00 C ATOM 683 O LEU A 43 -8.620 1.644 -16.719 1.00 0.00 O ATOM 684 CB LEU A 43 -8.433 3.567 -14.288 1.00 0.00 C ATOM 685 CG LEU A 43 -7.314 4.210 -13.463 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.329 5.748 -13.553 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.555 3.809 -12.005 1.00 0.00 C ATOM 0 H LEU A 43 -10.431 3.693 -15.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.639 4.639 -15.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.391 3.947 -13.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.429 2.492 -14.105 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.351 3.870 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.517 6.156 -12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.200 6.053 -14.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.281 6.125 -13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.780 4.245 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.531 4.173 -11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.526 2.723 -11.917 1.00 0.00 H new ATOM 699 N ILE A 44 -6.614 2.599 -17.010 1.00 0.00 N ATOM 700 CA ILE A 44 -6.028 1.496 -17.764 1.00 0.00 C ATOM 701 C ILE A 44 -4.781 1.073 -17.008 1.00 0.00 C ATOM 702 O ILE A 44 -4.163 1.867 -16.303 1.00 0.00 O ATOM 703 CB ILE A 44 -5.802 1.918 -19.242 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.174 2.318 -19.846 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.103 0.825 -20.070 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.254 2.455 -21.371 1.00 0.00 C ATOM 0 H ILE A 44 -5.974 3.380 -16.864 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.683 0.628 -17.837 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.124 2.771 -19.270 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.910 1.577 -19.534 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.473 3.269 -19.405 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.970 1.173 -21.094 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.129 0.604 -19.633 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.714 -0.078 -20.070 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.267 2.738 -21.658 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.554 3.221 -21.705 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.998 1.503 -21.836 1.00 0.00 H new ATOM 718 N PHE A 45 -4.425 -0.191 -17.154 1.00 0.00 N ATOM 719 CA PHE A 45 -3.203 -0.756 -16.628 1.00 0.00 C ATOM 720 C PHE A 45 -2.783 -1.795 -17.645 1.00 0.00 C ATOM 721 O PHE A 45 -3.558 -2.701 -17.913 1.00 0.00 O ATOM 722 CB PHE A 45 -3.502 -1.409 -15.275 1.00 0.00 C ATOM 723 CG PHE A 45 -2.362 -2.247 -14.756 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.124 -1.627 -14.541 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.515 -3.627 -14.520 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.037 -2.375 -14.059 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.438 -4.369 -14.010 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.206 -3.740 -13.765 1.00 0.00 C ATOM 0 H PHE A 45 -4.997 -0.869 -17.657 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.419 -0.015 -16.471 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.734 -0.632 -14.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.390 -2.034 -15.369 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.005 -0.573 -14.746 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.457 -4.112 -14.730 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.924 -1.904 -13.915 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.556 -5.423 -13.806 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.614 -4.307 -13.349 1.00 0.00 H new ATOM 738 N ALA A 46 -1.606 -1.662 -18.255 1.00 0.00 N ATOM 739 CA ALA A 46 -1.069 -2.666 -19.184 1.00 0.00 C ATOM 740 C ALA A 46 -1.987 -2.986 -20.383 1.00 0.00 C ATOM 741 O ALA A 46 -1.950 -4.086 -20.936 1.00 0.00 O ATOM 742 CB ALA A 46 -0.731 -3.924 -18.376 1.00 0.00 C ATOM 0 H ALA A 46 -0.995 -0.856 -18.122 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.174 -2.249 -19.647 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.329 -4.687 -19.042 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.011 -3.680 -17.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.634 -4.301 -17.895 1.00 0.00 H new ATOM 748 N GLY A 47 -2.845 -2.033 -20.753 1.00 0.00 N ATOM 749 CA GLY A 47 -3.847 -2.183 -21.811 1.00 0.00 C ATOM 750 C GLY A 47 -5.186 -2.735 -21.320 1.00 0.00 C ATOM 751 O GLY A 47 -6.146 -2.791 -22.089 1.00 0.00 O ATOM 0 H GLY A 47 -2.863 -1.112 -20.314 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.014 -1.213 -22.280 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.452 -2.846 -22.581 1.00 0.00 H new ATOM 755 N LYS A 48 -5.283 -3.114 -20.045 1.00 0.00 N ATOM 756 CA LYS A 48 -6.476 -3.637 -19.405 1.00 0.00 C ATOM 757 C LYS A 48 -7.127 -2.482 -18.672 1.00 0.00 C ATOM 758 O LYS A 48 -6.500 -1.859 -17.828 1.00 0.00 O ATOM 759 CB LYS A 48 -6.038 -4.777 -18.467 1.00 0.00 C ATOM 760 CG LYS A 48 -7.205 -5.396 -17.694 1.00 0.00 C ATOM 761 CD LYS A 48 -6.850 -6.737 -17.027 1.00 0.00 C ATOM 762 CE LYS A 48 -6.663 -7.863 -18.059 1.00 0.00 C ATOM 763 NZ LYS A 48 -6.389 -9.180 -17.419 1.00 0.00 N ATOM 0 H LYS A 48 -4.490 -3.059 -19.406 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.203 -4.048 -20.105 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.545 -5.553 -19.053 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.302 -4.395 -17.759 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.538 -4.694 -16.929 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.043 -5.547 -18.374 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.935 -6.622 -16.446 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.639 -7.014 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.559 -7.941 -18.674 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.839 -7.608 -18.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.271 -9.906 -18.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.519 -9.116 -16.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.186 -9.439 -16.803 1.00 0.00 H new ATOM 777 N GLN A 49 -8.359 -2.141 -19.013 1.00 0.00 N ATOM 778 CA GLN A 49 -9.142 -1.186 -18.237 1.00 0.00 C ATOM 779 C GLN A 49 -9.464 -1.793 -16.875 1.00 0.00 C ATOM 780 O GLN A 49 -9.599 -3.011 -16.749 1.00 0.00 O ATOM 781 CB GLN A 49 -10.456 -0.854 -18.967 1.00 0.00 C ATOM 782 CG GLN A 49 -10.258 -0.133 -20.311 1.00 0.00 C ATOM 783 CD GLN A 49 -11.492 -0.259 -21.208 1.00 0.00 C ATOM 784 OE1 GLN A 49 -12.623 -0.074 -20.773 1.00 0.00 O ATOM 785 NE2 GLN A 49 -11.302 -0.581 -22.479 1.00 0.00 N ATOM 0 H GLN A 49 -8.844 -2.514 -19.829 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.564 -0.270 -18.113 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.008 -1.778 -19.140 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.073 -0.231 -18.319 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.045 0.921 -20.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.391 -0.550 -20.824 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.357 -0.733 -22.831 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.101 -0.677 -23.106 1.00 0.00 H new ATOM 794 N LEU A 50 -9.649 -0.923 -15.879 1.00 0.00 N ATOM 795 CA LEU A 50 -10.086 -1.317 -14.547 1.00 0.00 C ATOM 796 C LEU A 50 -11.457 -0.690 -14.291 1.00 0.00 C ATOM 797 O LEU A 50 -11.777 0.339 -14.892 1.00 0.00 O ATOM 798 CB LEU A 50 -9.081 -0.895 -13.453 1.00 0.00 C ATOM 799 CG LEU A 50 -7.585 -1.193 -13.632 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.917 -0.334 -14.708 1.00 0.00 C ATOM 801 CD2 LEU A 50 -6.859 -0.871 -12.323 1.00 0.00 C ATOM 0 H LEU A 50 -9.497 0.081 -15.980 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.148 -2.404 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.183 0.181 -13.316 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.397 -1.367 -12.522 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.516 -2.241 -13.923 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.862 -0.597 -14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.402 -0.511 -15.668 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.011 0.719 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.795 -1.078 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.999 0.182 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.265 -1.487 -11.521 1.00 0.00 H new ATOM 813 N GLU A 51 -12.238 -1.254 -13.367 1.00 0.00 N ATOM 814 CA GLU A 51 -13.559 -0.735 -13.005 1.00 0.00 C ATOM 815 C GLU A 51 -13.594 -0.443 -11.505 1.00 0.00 C ATOM 816 O GLU A 51 -12.855 -1.041 -10.727 1.00 0.00 O ATOM 817 CB GLU A 51 -14.681 -1.667 -13.512 1.00 0.00 C ATOM 818 CG GLU A 51 -14.757 -2.979 -12.726 1.00 0.00 C ATOM 819 CD GLU A 51 -15.754 -4.025 -13.259 1.00 0.00 C ATOM 820 OE1 GLU A 51 -16.690 -3.685 -14.026 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.611 -5.216 -12.877 1.00 0.00 O ATOM 0 H GLU A 51 -11.970 -2.089 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.748 0.214 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.638 -1.150 -13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.516 -1.888 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.764 -3.428 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.020 -2.747 -11.694 1.00 0.00 H new ATOM 828 N ASP A 52 -14.465 0.484 -11.108 1.00 0.00 N ATOM 829 CA ASP A 52 -14.549 1.115 -9.784 1.00 0.00 C ATOM 830 C ASP A 52 -14.618 0.097 -8.658 1.00 0.00 C ATOM 831 O ASP A 52 -13.973 0.278 -7.624 1.00 0.00 O ATOM 832 CB ASP A 52 -15.775 2.043 -9.734 1.00 0.00 C ATOM 833 CG ASP A 52 -15.517 3.380 -10.445 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.327 3.363 -11.683 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.474 4.433 -9.772 1.00 0.00 O ATOM 0 H ASP A 52 -15.180 0.840 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.636 1.692 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.626 1.544 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.044 2.232 -8.695 1.00 0.00 H new ATOM 840 N GLY A 53 -15.356 -0.989 -8.886 1.00 0.00 N ATOM 841 CA GLY A 53 -15.662 -1.995 -7.880 1.00 0.00 C ATOM 842 C GLY A 53 -14.522 -2.974 -7.599 1.00 0.00 C ATOM 843 O GLY A 53 -14.737 -3.966 -6.902 1.00 0.00 O ATOM 0 H GLY A 53 -15.765 -1.195 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.930 -1.492 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.538 -2.559 -8.202 1.00 0.00 H new ATOM 847 N ARG A 54 -13.328 -2.744 -8.158 1.00 0.00 N ATOM 848 CA ARG A 54 -12.205 -3.684 -8.109 1.00 0.00 C ATOM 849 C ARG A 54 -11.042 -3.022 -7.404 1.00 0.00 C ATOM 850 O ARG A 54 -11.145 -1.856 -7.051 1.00 0.00 O ATOM 851 CB ARG A 54 -11.856 -4.072 -9.547 1.00 0.00 C ATOM 852 CG ARG A 54 -13.017 -4.665 -10.365 1.00 0.00 C ATOM 853 CD ARG A 54 -13.527 -6.047 -9.964 1.00 0.00 C ATOM 854 NE ARG A 54 -12.702 -7.112 -10.538 1.00 0.00 N ATOM 855 CZ ARG A 54 -12.747 -7.591 -11.789 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.663 -7.200 -12.674 1.00 0.00 N ATOM 857 NH2 ARG A 54 -11.833 -8.486 -12.141 1.00 0.00 N ATOM 0 H ARG A 54 -13.113 -1.885 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.457 -4.587 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.482 -3.188 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.042 -4.796 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.855 -3.969 -10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.704 -4.711 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.530 -6.133 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.558 -6.166 -10.296 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.015 -7.538 -9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.366 -6.510 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.661 -7.590 -13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.128 -8.787 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.835 -8.873 -13.085 1.00 0.00 H new ATOM 871 N THR A 55 -9.933 -3.715 -7.202 1.00 0.00 N ATOM 872 CA THR A 55 -8.820 -3.215 -6.409 1.00 0.00 C ATOM 873 C THR A 55 -7.535 -3.407 -7.174 1.00 0.00 C ATOM 874 O THR A 55 -7.486 -4.139 -8.160 1.00 0.00 O ATOM 875 CB THR A 55 -8.759 -3.978 -5.079 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.784 -5.370 -5.327 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.912 -3.607 -4.152 1.00 0.00 C ATOM 0 H THR A 55 -9.778 -4.647 -7.586 1.00 0.00 H new ATOM 0 HA THR A 55 -8.959 -2.153 -6.205 1.00 0.00 H new ATOM 0 HB THR A 55 -7.829 -3.699 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.743 -5.855 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.828 -4.171 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.874 -2.540 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.859 -3.844 -4.636 1.00 0.00 H new ATOM 885 N LEU A 56 -6.477 -2.760 -6.703 1.00 0.00 N ATOM 886 CA LEU A 56 -5.168 -2.894 -7.350 1.00 0.00 C ATOM 887 C LEU A 56 -4.727 -4.362 -7.397 1.00 0.00 C ATOM 888 O LEU A 56 -4.360 -4.875 -8.454 1.00 0.00 O ATOM 889 CB LEU A 56 -4.155 -1.975 -6.637 1.00 0.00 C ATOM 890 CG LEU A 56 -4.612 -0.507 -6.589 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.519 0.384 -6.022 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.984 0.002 -7.990 1.00 0.00 C ATOM 0 H LEU A 56 -6.492 -2.146 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.229 -2.572 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.998 -2.335 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.194 -2.035 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.489 -0.465 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.867 1.417 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.274 0.061 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.631 0.315 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.303 1.042 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.117 -0.072 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.796 -0.603 -8.393 1.00 0.00 H new ATOM 904 N SER A 57 -4.891 -5.067 -6.287 1.00 0.00 N ATOM 905 CA SER A 57 -4.658 -6.495 -6.136 1.00 0.00 C ATOM 906 C SER A 57 -5.497 -7.334 -7.092 1.00 0.00 C ATOM 907 O SER A 57 -4.994 -8.354 -7.562 1.00 0.00 O ATOM 908 CB SER A 57 -4.999 -6.919 -4.706 1.00 0.00 C ATOM 909 OG SER A 57 -3.929 -6.650 -3.828 1.00 0.00 O ATOM 0 H SER A 57 -5.208 -4.633 -5.420 1.00 0.00 H new ATOM 0 HA SER A 57 -3.607 -6.668 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.891 -6.391 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.232 -7.984 -4.685 1.00 0.00 H new ATOM 0 HG SER A 57 -4.173 -6.928 -2.920 1.00 0.00 H new ATOM 915 N ASP A 58 -6.729 -6.925 -7.433 1.00 0.00 N ATOM 916 CA ASP A 58 -7.547 -7.664 -8.386 1.00 0.00 C ATOM 917 C ASP A 58 -6.818 -7.749 -9.731 1.00 0.00 C ATOM 918 O ASP A 58 -6.786 -8.796 -10.384 1.00 0.00 O ATOM 919 CB ASP A 58 -8.893 -6.963 -8.551 1.00 0.00 C ATOM 920 CG ASP A 58 -9.930 -7.897 -9.193 1.00 0.00 C ATOM 921 OD1 ASP A 58 -9.764 -8.331 -10.351 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.973 -8.159 -8.555 1.00 0.00 O ATOM 0 H ASP A 58 -7.173 -6.086 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.720 -8.675 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.254 -6.629 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.769 -6.073 -9.168 1.00 0.00 H new ATOM 927 N TYR A 59 -6.110 -6.664 -10.058 1.00 0.00 N ATOM 928 CA TYR A 59 -5.307 -6.519 -11.267 1.00 0.00 C ATOM 929 C TYR A 59 -3.826 -6.865 -11.018 1.00 0.00 C ATOM 930 O TYR A 59 -2.998 -6.713 -11.916 1.00 0.00 O ATOM 931 CB TYR A 59 -5.538 -5.106 -11.813 1.00 0.00 C ATOM 932 CG TYR A 59 -6.976 -4.872 -12.247 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.439 -5.441 -13.448 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.869 -4.152 -11.429 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.789 -5.311 -13.829 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.217 -4.031 -11.802 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.688 -4.609 -12.998 1.00 0.00 C ATOM 938 OH TYR A 59 -11.000 -4.455 -13.335 1.00 0.00 O ATOM 0 H TYR A 59 -6.082 -5.835 -9.464 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.618 -7.236 -12.027 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.271 -4.377 -11.048 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.875 -4.936 -12.661 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.753 -5.982 -14.083 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.517 -3.694 -10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.135 -5.747 -14.754 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.901 -3.489 -11.165 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.492 -5.274 -13.118 1.00 0.00 H new ATOM 948 N ASN A 60 -3.497 -7.363 -9.818 1.00 0.00 N ATOM 949 CA ASN A 60 -2.161 -7.758 -9.344 1.00 0.00 C ATOM 950 C ASN A 60 -1.138 -6.616 -9.369 1.00 0.00 C ATOM 951 O ASN A 60 0.075 -6.831 -9.301 1.00 0.00 O ATOM 952 CB ASN A 60 -1.700 -9.072 -10.014 1.00 0.00 C ATOM 953 CG ASN A 60 -1.902 -10.289 -9.116 1.00 0.00 C ATOM 954 OD1 ASN A 60 -0.997 -11.103 -8.945 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.074 -10.447 -8.516 1.00 0.00 N ATOM 0 H ASN A 60 -4.207 -7.511 -9.101 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.240 -7.982 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.251 -9.215 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.646 -8.991 -10.278 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.231 -11.250 -7.906 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.819 -9.766 -8.664 1.00 0.00 H new ATOM 962 N ILE A 61 -1.639 -5.384 -9.422 1.00 0.00 N ATOM 963 CA ILE A 61 -0.877 -4.162 -9.241 1.00 0.00 C ATOM 964 C ILE A 61 -0.440 -4.157 -7.780 1.00 0.00 C ATOM 965 O ILE A 61 -1.241 -4.400 -6.875 1.00 0.00 O ATOM 966 CB ILE A 61 -1.789 -2.964 -9.552 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.282 -2.974 -11.008 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.122 -1.609 -9.245 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.583 -2.198 -11.135 1.00 0.00 C ATOM 0 H ILE A 61 -2.628 -5.208 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.010 -4.100 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.646 -3.078 -8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.525 -2.535 -11.658 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.430 -4.001 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.813 -0.801 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.862 -1.563 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.219 -1.504 -9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.917 -2.216 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.343 -2.655 -10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.423 -1.166 -10.823 1.00 0.00 H new ATOM 981 N GLN A 62 0.832 -3.848 -7.563 1.00 0.00 N ATOM 982 CA GLN A 62 1.462 -3.772 -6.256 1.00 0.00 C ATOM 983 C GLN A 62 2.023 -2.360 -6.105 1.00 0.00 C ATOM 984 O GLN A 62 1.670 -1.448 -6.849 1.00 0.00 O ATOM 985 CB GLN A 62 2.540 -4.871 -6.194 1.00 0.00 C ATOM 986 CG GLN A 62 1.904 -6.269 -6.235 1.00 0.00 C ATOM 987 CD GLN A 62 2.880 -7.304 -6.782 1.00 0.00 C ATOM 988 OE1 GLN A 62 3.751 -7.813 -6.076 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.763 -7.609 -8.063 1.00 0.00 N ATOM 0 H GLN A 62 1.476 -3.635 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 62 0.773 -3.945 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.230 -4.757 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.125 -4.760 -5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.589 -6.557 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.009 -6.246 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.033 -7.173 -8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.403 -8.280 -8.488 1.00 0.00 H new ATOM 998 N LYS A 63 2.874 -2.155 -5.108 1.00 0.00 N ATOM 999 CA LYS A 63 3.596 -0.915 -4.915 1.00 0.00 C ATOM 1000 C LYS A 63 4.498 -0.638 -6.104 1.00 0.00 C ATOM 1001 O LYS A 63 4.847 -1.532 -6.877 1.00 0.00 O ATOM 1002 CB LYS A 63 4.400 -0.979 -3.603 1.00 0.00 C ATOM 1003 CG LYS A 63 5.649 -1.864 -3.642 1.00 0.00 C ATOM 1004 CD LYS A 63 6.240 -1.990 -2.227 1.00 0.00 C ATOM 1005 CE LYS A 63 7.648 -2.589 -2.302 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.242 -2.823 -0.958 1.00 0.00 N ATOM 0 H LYS A 63 3.082 -2.861 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 63 2.885 -0.092 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.700 0.033 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.744 -1.340 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.395 -2.851 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.389 -1.436 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.277 -1.010 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.599 -2.621 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.609 -3.532 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.294 -1.919 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.194 -3.229 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.306 -1.921 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.642 -3.483 -0.424 1.00 0.00 H new ATOM 1020 N GLU A 64 4.891 0.631 -6.167 1.00 0.00 N ATOM 1021 CA GLU A 64 5.769 1.234 -7.155 1.00 0.00 C ATOM 1022 C GLU A 64 5.418 0.713 -8.553 1.00 0.00 C ATOM 1023 O GLU A 64 6.273 0.267 -9.320 1.00 0.00 O ATOM 1024 CB GLU A 64 7.246 1.190 -6.698 1.00 0.00 C ATOM 1025 CG GLU A 64 7.983 -0.149 -6.759 1.00 0.00 C ATOM 1026 CD GLU A 64 9.304 -0.101 -5.967 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.297 -0.398 -4.746 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.360 0.231 -6.560 1.00 0.00 O ATOM 0 H GLU A 64 4.578 1.312 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 64 5.602 2.308 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.803 1.904 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.286 1.545 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.345 -0.936 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.189 -0.405 -7.798 1.00 0.00 H new ATOM 1035 N SER A 65 4.111 0.743 -8.851 1.00 0.00 N ATOM 1036 CA SER A 65 3.584 0.189 -10.099 1.00 0.00 C ATOM 1037 C SER A 65 2.863 1.290 -10.853 1.00 0.00 C ATOM 1038 O SER A 65 2.342 2.216 -10.235 1.00 0.00 O ATOM 1039 CB SER A 65 2.676 -1.018 -9.833 1.00 0.00 C ATOM 1040 OG SER A 65 3.404 -2.107 -9.286 1.00 0.00 O ATOM 0 H SER A 65 3.401 1.147 -8.241 1.00 0.00 H new ATOM 0 HA SER A 65 4.405 -0.180 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.879 -0.731 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.200 -1.328 -10.763 1.00 0.00 H new ATOM 0 HG SER A 65 3.837 -1.825 -8.453 1.00 0.00 H new ATOM 1046 N THR A 66 2.838 1.194 -12.174 1.00 0.00 N ATOM 1047 CA THR A 66 2.378 2.268 -13.043 1.00 0.00 C ATOM 1048 C THR A 66 0.970 1.954 -13.545 1.00 0.00 C ATOM 1049 O THR A 66 0.637 0.803 -13.795 1.00 0.00 O ATOM 1050 CB THR A 66 3.379 2.482 -14.200 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.692 2.580 -13.671 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.106 3.744 -15.037 1.00 0.00 C ATOM 0 H THR A 66 3.139 0.360 -12.678 1.00 0.00 H new ATOM 0 HA THR A 66 2.329 3.203 -12.484 1.00 0.00 H new ATOM 0 HB THR A 66 3.265 1.623 -14.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.330 2.714 -14.402 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.851 3.824 -15.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.112 3.679 -15.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.161 4.624 -14.397 1.00 0.00 H new ATOM 1060 N LEU A 67 0.159 2.995 -13.708 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.219 3.006 -14.188 1.00 0.00 C ATOM 1062 C LEU A 67 -1.380 4.035 -15.305 1.00 0.00 C ATOM 1063 O LEU A 67 -0.479 4.845 -15.508 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.101 3.410 -12.991 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.286 2.492 -12.766 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.799 1.134 -12.270 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.203 3.103 -11.714 1.00 0.00 C ATOM 0 H LEU A 67 0.479 3.938 -13.487 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.499 2.029 -14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.489 3.425 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.465 4.426 -13.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.826 2.366 -13.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.654 0.477 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.136 0.691 -13.013 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.259 1.262 -11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.057 2.446 -11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.654 3.226 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.555 4.075 -12.059 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.543 4.095 -15.957 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.801 5.050 -17.047 1.00 0.00 C ATOM 1081 C HIS A 68 -4.135 5.764 -16.851 1.00 0.00 C ATOM 1082 O HIS A 68 -5.137 5.113 -16.568 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.822 4.323 -18.407 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.501 4.200 -19.115 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.042 3.038 -19.743 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.634 5.222 -19.375 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.107 3.382 -20.346 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.384 4.676 -20.123 1.00 0.00 N ATOM 0 H HIS A 68 -3.334 3.486 -15.748 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.997 5.786 -17.033 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.223 3.321 -18.254 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.516 4.847 -19.065 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.487 2.120 -19.743 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.728 6.250 -19.058 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.722 2.712 -20.928 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.157 7.088 -17.049 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.397 7.875 -17.133 1.00 0.00 C ATOM 1098 C LEU A 69 -5.788 7.895 -18.597 1.00 0.00 C ATOM 1099 O LEU A 69 -5.040 8.406 -19.419 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.204 9.337 -16.614 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.947 10.517 -17.329 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.465 10.366 -17.209 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.581 11.867 -16.728 1.00 0.00 C ATOM 0 H LEU A 69 -3.311 7.648 -17.156 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.167 7.426 -16.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.501 9.353 -15.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.137 9.556 -16.646 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.635 10.478 -18.373 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.955 11.199 -17.714 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.775 9.429 -17.671 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.748 10.363 -16.156 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.118 12.657 -17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.854 11.882 -15.673 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.508 12.030 -16.827 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.989 7.414 -18.890 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.659 7.537 -20.176 1.00 0.00 C ATOM 1117 C VAL A 70 -9.050 8.083 -19.838 1.00 0.00 C ATOM 1118 O VAL A 70 -9.490 8.014 -18.694 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.575 6.164 -20.876 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.363 6.121 -22.167 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.106 5.801 -21.161 1.00 0.00 C ATOM 0 H VAL A 70 -7.547 6.904 -18.205 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.222 8.224 -20.900 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.016 5.436 -20.195 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.269 5.133 -22.618 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.413 6.327 -21.959 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.975 6.872 -22.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.060 4.830 -21.655 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.663 6.558 -21.808 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.553 5.757 -20.222 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.744 8.686 -20.795 1.00 0.00 N ATOM 1132 CA LEU A 71 -11.070 9.259 -20.579 1.00 0.00 C ATOM 1133 C LEU A 71 -12.116 8.195 -20.912 1.00 0.00 C ATOM 1134 O LEU A 71 -11.878 7.346 -21.760 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.194 10.479 -21.508 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.453 11.331 -21.252 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -12.115 12.521 -20.374 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -13.065 11.812 -22.561 1.00 0.00 C ATOM 0 H LEU A 71 -9.402 8.793 -21.750 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.222 9.573 -19.547 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.311 11.107 -21.387 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.203 10.137 -22.543 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.183 10.704 -20.740 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.014 13.113 -20.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.724 12.169 -19.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.364 13.137 -20.869 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.951 12.410 -22.350 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.338 12.418 -23.101 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.344 10.952 -23.170 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.290 8.251 -20.290 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.450 7.411 -20.636 1.00 0.00 C ATOM 1152 C ARG A 72 -15.103 7.817 -21.957 1.00 0.00 C ATOM 1153 O ARG A 72 -15.770 6.999 -22.575 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.499 7.529 -19.513 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.520 6.376 -19.492 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.300 6.444 -18.179 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.350 5.411 -18.073 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.166 5.270 -17.018 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.068 6.115 -15.999 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -20.075 4.304 -16.998 1.00 0.00 N ATOM 0 H ARG A 72 -13.473 8.890 -19.517 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.091 6.388 -20.747 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.986 7.565 -18.552 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.033 8.473 -19.625 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.199 6.456 -20.341 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.010 5.417 -19.581 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.606 6.335 -17.345 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.757 7.429 -18.086 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.462 4.763 -18.853 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.376 6.864 -16.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.685 6.015 -15.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.156 3.664 -17.788 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.693 4.202 -16.193 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.919 9.080 -22.354 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.661 9.719 -23.449 1.00 0.00 C ATOM 1176 C LEU A 73 -17.152 9.637 -23.058 1.00 0.00 C ATOM 1177 O LEU A 73 -18.014 9.348 -23.885 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.324 9.154 -24.857 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.867 9.150 -25.386 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.247 10.502 -25.743 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.894 8.320 -24.555 1.00 0.00 C ATOM 0 H LEU A 73 -14.238 9.700 -21.916 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.362 10.761 -23.562 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.675 8.122 -24.880 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.924 9.711 -25.577 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.018 8.649 -26.342 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.228 10.352 -26.099 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.838 10.978 -26.525 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.233 11.140 -24.860 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.899 8.374 -24.998 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.860 8.710 -23.538 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.226 7.282 -24.535 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.572 16.130 -32.990 1.00 0.00 N ATOM 1326 CA ILE B 677 -9.012 15.557 -31.764 1.00 0.00 C ATOM 1327 C ILE B 677 -7.990 16.579 -31.255 1.00 0.00 C ATOM 1328 O ILE B 677 -7.240 17.153 -32.056 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.362 14.187 -32.044 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.468 13.198 -32.475 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.577 13.668 -30.822 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -8.930 11.854 -32.955 1.00 0.00 C ATOM 0 HA ILE B 677 -9.782 15.372 -31.015 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.634 14.289 -32.849 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -10.142 13.031 -31.635 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -10.058 13.650 -33.273 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.134 12.701 -31.058 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.788 14.376 -30.569 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.253 13.560 -29.974 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -9.762 11.210 -33.241 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -8.278 12.009 -33.815 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -8.365 11.381 -32.152 1.00 0.00 H new ATOM 1344 N THR B 678 -7.925 16.784 -29.941 1.00 0.00 N ATOM 1345 CA THR B 678 -6.966 17.667 -29.315 1.00 0.00 C ATOM 1346 C THR B 678 -6.185 16.911 -28.230 1.00 0.00 C ATOM 1347 O THR B 678 -6.654 15.928 -27.649 1.00 0.00 O ATOM 1348 CB THR B 678 -7.712 18.938 -28.862 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.804 20.000 -28.620 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.588 18.771 -27.615 1.00 0.00 C ATOM 0 H THR B 678 -8.552 16.329 -29.277 1.00 0.00 H new ATOM 0 HA THR B 678 -6.191 18.005 -30.003 1.00 0.00 H new ATOM 0 HB THR B 678 -8.379 19.160 -29.695 1.00 0.00 H new ATOM 0 HG1 THR B 678 -7.300 20.796 -28.336 1.00 0.00 H new ATOM 0 HG21 THR B 678 -9.069 19.720 -27.379 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.350 18.015 -27.804 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.968 18.459 -26.774 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.959 17.382 -27.990 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.986 16.788 -27.087 1.00 0.00 C ATOM 1360 C PHE B 679 -3.559 17.886 -26.094 1.00 0.00 C ATOM 1361 O PHE B 679 -2.594 18.612 -26.358 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.830 16.168 -27.881 1.00 0.00 C ATOM 1363 CG PHE B 679 -3.152 14.821 -28.517 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -3.107 13.634 -27.753 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.464 14.743 -29.890 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.351 12.385 -28.349 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.701 13.491 -30.489 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.629 12.315 -29.725 1.00 0.00 C ATOM 0 H PHE B 679 -4.608 18.226 -28.443 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.404 15.959 -26.516 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.530 16.863 -28.665 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.974 16.047 -27.217 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.882 13.687 -26.698 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.521 15.644 -30.482 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.325 11.484 -27.753 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.939 13.435 -31.541 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.787 11.356 -30.195 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.340 18.104 -25.017 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.131 19.158 -24.023 1.00 0.00 C ATOM 1380 C PRO B 680 -2.952 18.841 -23.090 1.00 0.00 C ATOM 1381 O PRO B 680 -2.359 17.766 -23.160 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.449 19.187 -23.229 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.823 17.709 -23.222 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.504 17.313 -24.657 1.00 0.00 C ATOM 0 HA PRO B 680 -3.887 20.112 -24.490 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.314 19.582 -22.222 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.208 19.801 -23.714 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.238 17.140 -22.499 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.873 17.552 -22.976 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.295 16.246 -24.735 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.344 17.522 -25.320 1.00 0.00 H new ATOM 1392 N SER B 681 -2.726 19.696 -22.091 1.00 0.00 N ATOM 1393 CA SER B 681 -1.798 19.505 -20.972 1.00 0.00 C ATOM 1394 C SER B 681 -2.157 18.320 -20.042 1.00 0.00 C ATOM 1395 O SER B 681 -1.642 18.237 -18.924 1.00 0.00 O ATOM 1396 CB SER B 681 -1.728 20.823 -20.179 1.00 0.00 C ATOM 1397 OG SER B 681 -1.599 21.943 -21.051 1.00 0.00 O ATOM 0 H SER B 681 -3.212 20.591 -22.037 1.00 0.00 H new ATOM 0 HA SER B 681 -0.826 19.243 -21.390 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.626 20.933 -19.572 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.881 20.793 -19.493 1.00 0.00 H new ATOM 0 HG SER B 681 -1.559 22.767 -20.522 1.00 0.00 H new ATOM 1403 N ASP B 682 -3.007 17.391 -20.494 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.400 16.177 -19.776 1.00 0.00 C ATOM 1405 C ASP B 682 -3.304 14.926 -20.655 1.00 0.00 C ATOM 1406 O ASP B 682 -3.239 13.818 -20.119 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.840 16.269 -19.267 1.00 0.00 C ATOM 1408 CG ASP B 682 -5.117 17.318 -18.181 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -5.069 18.535 -18.469 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.518 16.936 -17.060 1.00 0.00 O ATOM 0 H ASP B 682 -3.457 17.469 -21.406 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.704 16.094 -18.941 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.490 16.478 -20.117 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -5.128 15.292 -18.879 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.311 15.060 -21.989 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.264 13.953 -22.926 1.00 0.00 C ATOM 1417 C ILE B 683 -2.373 14.364 -24.108 1.00 0.00 C ATOM 1418 O ILE B 683 -2.632 15.392 -24.720 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.699 13.551 -23.335 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.449 12.856 -22.176 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.668 12.608 -24.551 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -6.163 13.711 -21.142 1.00 0.00 C ATOM 0 H ILE B 683 -3.351 15.970 -22.448 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.824 13.063 -22.477 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.229 14.468 -23.592 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.188 12.187 -22.617 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.730 12.231 -21.646 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.687 12.335 -24.826 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -4.189 13.112 -25.390 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -4.106 11.708 -24.299 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.636 13.067 -20.401 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.442 14.363 -20.648 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.923 14.318 -21.634 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.352 13.569 -24.461 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.356 13.851 -25.507 1.00 0.00 C ATOM 1436 C ASP B 684 -0.144 12.598 -26.367 1.00 0.00 C ATOM 1437 O ASP B 684 -0.269 11.487 -25.833 1.00 0.00 O ATOM 1438 CB ASP B 684 0.966 14.247 -24.844 1.00 0.00 C ATOM 1439 CG ASP B 684 2.059 14.584 -25.863 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.779 13.656 -26.299 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.200 15.779 -26.212 1.00 0.00 O ATOM 0 H ASP B 684 -1.190 12.671 -24.005 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.709 14.665 -26.140 1.00 0.00 H new ATOM 0 HB2 ASP B 684 0.800 15.108 -24.197 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.307 13.431 -24.207 1.00 0.00 H new ATOM 1446 N PRO B 685 0.162 12.710 -27.674 1.00 0.00 N ATOM 1447 CA PRO B 685 0.362 11.548 -28.529 1.00 0.00 C ATOM 1448 C PRO B 685 1.380 10.531 -27.999 1.00 0.00 C ATOM 1449 O PRO B 685 1.216 9.351 -28.287 1.00 0.00 O ATOM 1450 CB PRO B 685 0.794 12.087 -29.893 1.00 0.00 C ATOM 1451 CG PRO B 685 0.184 13.483 -29.930 1.00 0.00 C ATOM 1452 CD PRO B 685 0.284 13.925 -28.472 1.00 0.00 C ATOM 0 HA PRO B 685 -0.571 10.986 -28.576 1.00 0.00 H new ATOM 0 HB2 PRO B 685 1.879 12.120 -29.987 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.423 11.464 -30.707 1.00 0.00 H new ATOM 0 HG2 PRO B 685 0.734 14.149 -30.595 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.848 13.466 -30.279 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.234 14.424 -28.280 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.505 14.635 -28.225 1.00 0.00 H new ATOM 1460 N GLN B 686 2.380 10.938 -27.201 1.00 0.00 N ATOM 1461 CA GLN B 686 3.387 10.047 -26.621 1.00 0.00 C ATOM 1462 C GLN B 686 2.721 8.833 -25.966 1.00 0.00 C ATOM 1463 O GLN B 686 2.838 7.707 -26.456 1.00 0.00 O ATOM 1464 CB GLN B 686 4.205 10.869 -25.601 1.00 0.00 C ATOM 1465 CG GLN B 686 5.169 10.048 -24.725 1.00 0.00 C ATOM 1466 CD GLN B 686 5.744 10.878 -23.574 1.00 0.00 C ATOM 1467 OE1 GLN B 686 6.951 11.086 -23.484 1.00 0.00 O ATOM 1468 NE2 GLN B 686 4.912 11.363 -22.654 1.00 0.00 N ATOM 0 H GLN B 686 2.510 11.915 -26.938 1.00 0.00 H new ATOM 0 HA GLN B 686 4.049 9.658 -27.394 1.00 0.00 H new ATOM 0 HB2 GLN B 686 4.780 11.621 -26.141 1.00 0.00 H new ATOM 0 HB3 GLN B 686 3.513 11.404 -24.950 1.00 0.00 H new ATOM 0 HG2 GLN B 686 4.644 9.182 -24.321 1.00 0.00 H new ATOM 0 HG3 GLN B 686 5.984 9.668 -25.341 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.910 11.189 -22.730 1.00 0.00 H new ATOM 0 HE22 GLN B 686 5.277 11.908 -21.873 1.00 0.00 H new ATOM 1477 N VAL B 687 1.996 9.046 -24.865 1.00 0.00 N ATOM 1478 CA VAL B 687 1.418 7.960 -24.105 1.00 0.00 C ATOM 1479 C VAL B 687 0.389 7.250 -24.971 1.00 0.00 C ATOM 1480 O VAL B 687 0.258 6.041 -24.852 1.00 0.00 O ATOM 1481 CB VAL B 687 0.820 8.516 -22.815 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.538 7.390 -21.818 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.782 9.519 -22.156 1.00 0.00 C ATOM 0 H VAL B 687 1.800 9.973 -24.486 1.00 0.00 H new ATOM 0 HA VAL B 687 2.174 7.227 -23.822 1.00 0.00 H new ATOM 0 HB VAL B 687 -0.112 9.017 -23.078 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.112 7.809 -20.906 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.167 6.684 -22.256 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.468 6.873 -21.580 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.335 9.902 -21.239 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.722 9.021 -21.921 1.00 0.00 H new ATOM 0 HG23 VAL B 687 1.971 10.346 -22.841 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.296 7.954 -25.875 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.264 7.343 -26.765 1.00 0.00 C ATOM 1495 C PHE B 688 -0.616 6.323 -27.711 1.00 0.00 C ATOM 1496 O PHE B 688 -1.178 5.255 -27.958 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.985 8.452 -27.541 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.316 8.020 -28.106 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.281 7.488 -27.237 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.606 8.174 -29.469 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.540 7.117 -27.714 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.865 7.780 -29.960 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.823 7.238 -29.084 1.00 0.00 C ATOM 0 H PHE B 688 -0.190 8.960 -26.004 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.987 6.783 -26.172 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -2.139 9.306 -26.881 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.345 8.790 -28.356 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -4.048 7.364 -26.190 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.868 8.592 -30.138 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.290 6.740 -27.035 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -5.095 7.894 -31.009 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.780 6.914 -29.467 1.00 0.00 H new ATOM 1513 N TYR B 689 0.576 6.630 -28.219 1.00 0.00 N ATOM 1514 CA TYR B 689 1.349 5.747 -29.079 1.00 0.00 C ATOM 1515 C TYR B 689 2.007 4.622 -28.283 1.00 0.00 C ATOM 1516 O TYR B 689 2.394 3.609 -28.865 1.00 0.00 O ATOM 1517 CB TYR B 689 2.403 6.565 -29.832 1.00 0.00 C ATOM 1518 CG TYR B 689 1.886 7.608 -30.818 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.542 7.627 -31.253 1.00 0.00 C ATOM 1520 CD2 TYR B 689 2.786 8.570 -31.312 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.108 8.588 -32.180 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.363 9.536 -32.244 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.017 9.546 -32.687 1.00 0.00 C ATOM 1524 OH TYR B 689 0.582 10.467 -33.595 1.00 0.00 O ATOM 0 H TYR B 689 1.039 7.521 -28.038 1.00 0.00 H new ATOM 0 HA TYR B 689 0.672 5.281 -29.795 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.029 7.072 -29.097 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.046 5.873 -30.375 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -0.156 6.897 -30.870 1.00 0.00 H new ATOM 0 HD2 TYR B 689 3.811 8.567 -30.973 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.921 8.596 -32.507 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.062 10.268 -32.621 1.00 0.00 H new ATOM 0 HH TYR B 689 1.325 11.055 -33.846 1.00 0.00 H new ATOM 1534 N GLU B 690 2.135 4.796 -26.969 1.00 0.00 N ATOM 1535 CA GLU B 690 2.922 3.915 -26.117 1.00 0.00 C ATOM 1536 C GLU B 690 2.034 2.914 -25.373 1.00 0.00 C ATOM 1537 O GLU B 690 2.462 1.781 -25.133 1.00 0.00 O ATOM 1538 CB GLU B 690 3.725 4.832 -25.174 1.00 0.00 C ATOM 1539 CG GLU B 690 4.020 4.256 -23.796 1.00 0.00 C ATOM 1540 CD GLU B 690 4.795 5.255 -22.933 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.158 6.145 -22.321 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.040 5.161 -22.835 1.00 0.00 O ATOM 0 H GLU B 690 1.689 5.562 -26.463 1.00 0.00 H new ATOM 0 HA GLU B 690 3.603 3.295 -26.700 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.671 5.080 -25.655 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.176 5.766 -25.049 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.085 3.993 -23.301 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.596 3.337 -23.899 1.00 0.00 H new ATOM 1549 N LEU B 691 0.815 3.318 -25.006 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.179 2.421 -24.442 1.00 0.00 C ATOM 1551 C LEU B 691 -0.559 1.353 -25.475 1.00 0.00 C ATOM 1552 O LEU B 691 -0.209 1.457 -26.656 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.367 3.216 -23.853 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.276 4.038 -24.790 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -3.052 3.213 -25.801 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.281 4.816 -23.935 1.00 0.00 C ATOM 0 H LEU B 691 0.495 4.282 -25.095 1.00 0.00 H new ATOM 0 HA LEU B 691 0.235 1.878 -23.593 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -2.002 2.507 -23.323 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.963 3.901 -23.108 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.614 4.689 -25.362 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.663 3.873 -26.416 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.355 2.667 -26.436 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.695 2.506 -25.277 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.932 5.403 -24.583 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.882 4.117 -23.354 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.745 5.482 -23.259 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.279 0.328 -25.008 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.707 -0.806 -25.817 1.00 0.00 C ATOM 1570 C ALA B 692 -2.363 -0.327 -27.106 1.00 0.00 C ATOM 1571 O ALA B 692 -3.330 0.430 -27.048 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.684 -1.657 -25.001 1.00 0.00 C ATOM 0 H ALA B 692 -1.584 0.267 -24.037 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.839 -1.407 -26.088 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -3.011 -2.509 -25.598 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.189 -2.015 -24.098 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.549 -1.054 -24.725 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.883 -0.787 -28.260 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.396 -0.328 -29.548 1.00 0.00 C ATOM 1580 C GLU B 693 -3.891 -0.543 -29.639 1.00 0.00 C ATOM 1581 O GLU B 693 -4.607 0.328 -30.118 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.728 -1.091 -30.690 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.336 -0.505 -30.975 1.00 0.00 C ATOM 1584 CD GLU B 693 0.411 -1.324 -32.042 1.00 0.00 C ATOM 1585 OE1 GLU B 693 1.135 -2.287 -31.682 1.00 0.00 O ATOM 1586 OE2 GLU B 693 0.293 -1.006 -33.250 1.00 0.00 O ATOM 0 H GLU B 693 -1.137 -1.479 -28.328 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.174 0.736 -29.630 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.641 -2.146 -30.430 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.346 -1.033 -31.586 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.436 0.527 -31.311 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.248 -0.486 -30.055 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.392 -1.667 -29.127 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.806 -1.965 -29.234 1.00 0.00 C ATOM 1595 C ALA B 694 -6.647 -0.914 -28.484 1.00 0.00 C ATOM 1596 O ALA B 694 -7.711 -0.512 -28.958 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.051 -3.376 -28.698 1.00 0.00 C ATOM 0 H ALA B 694 -3.841 -2.374 -28.641 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.115 -1.925 -30.278 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.112 -3.614 -28.772 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.476 -4.093 -29.284 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.740 -3.428 -27.655 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.144 -0.425 -27.341 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.747 0.678 -26.593 1.00 0.00 C ATOM 1605 C VAL B 695 -6.650 1.955 -27.427 1.00 0.00 C ATOM 1606 O VAL B 695 -7.640 2.671 -27.528 1.00 0.00 O ATOM 1607 CB VAL B 695 -6.083 0.800 -25.206 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.207 2.176 -24.541 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.678 -0.229 -24.242 1.00 0.00 C ATOM 0 H VAL B 695 -5.296 -0.792 -26.908 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.805 0.491 -26.409 1.00 0.00 H new ATOM 0 HB VAL B 695 -5.024 0.628 -25.399 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.708 2.158 -23.572 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.741 2.930 -25.175 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.260 2.420 -24.403 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.201 -0.132 -23.267 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.749 -0.056 -24.141 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.508 -1.233 -24.631 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.498 2.250 -28.040 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.343 3.426 -28.885 1.00 0.00 C ATOM 1621 C GLN B 696 -6.368 3.399 -30.020 1.00 0.00 C ATOM 1622 O GLN B 696 -7.021 4.404 -30.246 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.906 3.482 -29.418 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.588 4.676 -30.318 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.378 4.355 -31.189 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.450 4.332 -32.418 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.260 4.027 -30.564 1.00 0.00 N ATOM 0 H GLN B 696 -4.655 1.681 -27.961 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.527 4.329 -28.302 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.222 3.495 -28.570 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.706 2.566 -29.974 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.448 4.910 -30.945 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.387 5.558 -29.710 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.219 4.052 -29.545 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.438 3.749 -31.101 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.548 2.277 -30.718 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.506 2.180 -31.826 1.00 0.00 C ATOM 1638 C LYS B 697 -8.929 2.406 -31.327 1.00 0.00 C ATOM 1639 O LYS B 697 -9.672 3.187 -31.926 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.410 0.800 -32.507 1.00 0.00 C ATOM 1641 CG LYS B 697 -6.056 0.513 -33.175 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.651 1.487 -34.295 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.650 1.607 -35.464 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.757 0.359 -36.274 1.00 0.00 N ATOM 0 H LYS B 697 -6.038 1.413 -30.535 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.258 2.953 -32.553 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.605 0.027 -31.763 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.195 0.724 -33.259 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.282 0.527 -32.408 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -6.080 -0.496 -33.586 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.508 2.476 -33.859 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.687 1.173 -34.695 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.633 1.862 -35.069 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -6.344 2.428 -36.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.442 0.502 -37.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.827 0.126 -36.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -7.076 -0.423 -35.667 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.292 1.752 -30.223 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.619 1.882 -29.618 1.00 0.00 C ATOM 1660 C GLU B 698 -10.888 3.351 -29.259 1.00 0.00 C ATOM 1661 O GLU B 698 -11.920 3.915 -29.626 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.693 0.971 -28.376 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.066 1.008 -27.689 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.044 0.235 -26.360 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.234 -1.005 -26.362 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -11.872 0.879 -25.298 1.00 0.00 O ATOM 0 H GLU B 698 -8.673 1.115 -29.721 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.389 1.570 -30.324 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.467 -0.054 -28.669 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -9.927 1.275 -27.663 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -12.356 2.043 -27.506 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.818 0.578 -28.350 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.919 3.982 -28.590 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.992 5.365 -28.154 1.00 0.00 C ATOM 1675 C LEU B 699 -10.083 6.274 -29.353 1.00 0.00 C ATOM 1676 O LEU B 699 -10.962 7.107 -29.393 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.737 5.741 -27.352 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.807 5.292 -25.893 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.400 5.270 -25.278 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.697 6.239 -25.074 1.00 0.00 C ATOM 0 H LEU B 699 -9.043 3.527 -28.334 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.875 5.480 -27.526 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.863 5.292 -27.823 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.599 6.822 -27.388 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.235 4.290 -25.869 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.462 4.949 -24.238 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.770 4.576 -25.835 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.967 6.269 -25.323 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.733 5.900 -24.039 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.286 7.248 -25.112 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.705 6.242 -25.490 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.211 6.112 -30.344 1.00 0.00 N ATOM 1693 CA LEU B 700 -9.119 6.966 -31.515 1.00 0.00 C ATOM 1694 C LEU B 700 -10.437 7.002 -32.268 1.00 0.00 C ATOM 1695 O LEU B 700 -10.875 8.073 -32.685 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.992 6.406 -32.387 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.739 7.145 -33.711 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.419 8.624 -33.475 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.569 6.468 -34.429 1.00 0.00 C ATOM 0 H LEU B 700 -8.527 5.355 -30.350 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.903 7.995 -31.228 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -7.070 6.415 -31.806 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -8.216 5.363 -32.612 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.641 7.097 -34.321 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.246 9.116 -34.432 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.258 9.101 -32.968 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.526 8.709 -32.856 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.375 6.980 -35.372 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.680 6.516 -33.801 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.818 5.425 -34.627 1.00 0.00 H new ATOM 1711 N ALA B 701 -11.082 5.844 -32.413 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.409 5.771 -33.002 1.00 0.00 C ATOM 1713 C ALA B 701 -13.385 6.597 -32.169 1.00 0.00 C ATOM 1714 O ALA B 701 -14.137 7.387 -32.728 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.859 4.308 -33.112 1.00 0.00 C ATOM 0 H ALA B 701 -10.700 4.942 -32.127 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.386 6.186 -34.010 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.854 4.266 -33.554 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -12.159 3.758 -33.741 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.884 3.859 -32.119 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.349 6.485 -30.842 1.00 0.00 N ATOM 1722 CA GLU B 702 -14.165 7.306 -29.954 1.00 0.00 C ATOM 1723 C GLU B 702 -13.865 8.792 -30.152 1.00 0.00 C ATOM 1724 O GLU B 702 -14.768 9.596 -30.374 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.944 6.875 -28.499 1.00 0.00 C ATOM 1726 CG GLU B 702 -15.218 7.008 -27.646 1.00 0.00 C ATOM 1727 CD GLU B 702 -16.381 6.126 -28.137 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.344 4.890 -27.925 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -17.336 6.669 -28.745 1.00 0.00 O ATOM 0 H GLU B 702 -12.751 5.820 -30.353 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.216 7.156 -30.200 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.603 5.840 -28.478 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -13.152 7.481 -28.060 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.984 6.746 -26.614 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.538 8.050 -27.645 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.592 9.179 -30.141 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.149 10.552 -30.167 1.00 0.00 C ATOM 1738 C TRP B 703 -12.543 11.231 -31.492 1.00 0.00 C ATOM 1739 O TRP B 703 -12.858 12.420 -31.505 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.627 10.542 -29.927 1.00 0.00 C ATOM 1741 CG TRP B 703 -10.071 9.932 -28.656 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.733 9.404 -27.598 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.677 9.903 -28.239 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.868 9.106 -26.562 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.593 9.451 -26.895 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.485 10.298 -28.852 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.428 9.527 -26.135 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.292 10.375 -28.107 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.272 10.043 -26.737 1.00 0.00 C ATOM 0 H TRP B 703 -11.820 8.513 -30.113 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.632 11.140 -29.387 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.168 10.019 -30.767 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.284 11.576 -29.969 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.800 9.237 -27.568 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -10.145 8.687 -25.674 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.478 10.546 -29.903 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.416 9.196 -25.107 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.381 10.693 -28.592 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.373 10.185 -26.156 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.602 10.476 -32.598 1.00 0.00 N ATOM 1761 CA LYS B 704 -12.979 10.996 -33.912 1.00 0.00 C ATOM 1762 C LYS B 704 -14.483 10.907 -34.165 1.00 0.00 C ATOM 1763 O LYS B 704 -14.996 11.688 -34.963 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.179 10.294 -35.036 1.00 0.00 C ATOM 1765 CG LYS B 704 -12.758 8.960 -35.547 1.00 0.00 C ATOM 1766 CD LYS B 704 -11.876 8.368 -36.657 1.00 0.00 C ATOM 1767 CE LYS B 704 -12.517 7.098 -37.242 1.00 0.00 C ATOM 1768 NZ LYS B 704 -11.738 6.548 -38.384 1.00 0.00 N ATOM 0 H LYS B 704 -12.387 9.479 -32.602 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.723 12.055 -33.920 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.099 10.979 -35.880 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -11.166 10.113 -34.675 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -12.834 8.252 -34.722 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -13.768 9.119 -35.925 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -11.733 9.106 -37.447 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -10.889 8.133 -36.258 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -12.597 6.341 -36.462 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -13.531 7.324 -37.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -12.208 5.693 -38.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -11.683 7.259 -39.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -10.778 6.307 -38.065 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.207 9.977 -33.525 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.632 9.753 -33.844 1.00 0.00 C ATOM 1784 C ARG B 705 -17.489 10.738 -33.069 1.00 0.00 C ATOM 1785 O ARG B 705 -18.514 11.195 -33.574 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.065 8.287 -33.651 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.178 7.823 -32.189 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.120 6.298 -32.069 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.390 5.662 -32.459 1.00 0.00 N ATOM 1790 CZ ARG B 705 -19.429 5.401 -31.646 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -19.387 5.701 -30.349 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -20.529 4.842 -32.148 1.00 0.00 N ATOM 0 H ARG B 705 -14.838 9.372 -32.791 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.781 9.942 -34.907 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -18.030 8.143 -34.136 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.351 7.644 -34.165 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.371 8.264 -31.604 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -18.114 8.185 -31.764 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.316 5.916 -32.698 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -16.879 6.025 -31.042 1.00 0.00 H new ATOM 0 HE ARG B 705 -18.491 5.394 -33.438 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -18.555 6.138 -29.953 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -20.187 5.494 -29.751 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -20.578 4.616 -33.141 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -21.322 4.640 -31.539 1.00 0.00 H new ATOM 1806 N THR B 706 -17.043 11.091 -31.865 1.00 0.00 N ATOM 1807 CA THR B 706 -17.609 12.185 -31.093 1.00 0.00 C ATOM 1808 C THR B 706 -17.401 13.488 -31.873 1.00 0.00 C ATOM 1809 O THR B 706 -18.282 14.351 -31.918 1.00 0.00 O ATOM 1810 CB THR B 706 -16.913 12.217 -29.727 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.512 12.232 -29.910 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.258 10.973 -28.917 1.00 0.00 C ATOM 0 H THR B 706 -16.270 10.618 -31.397 1.00 0.00 H new ATOM 0 HA THR B 706 -18.679 12.056 -30.930 1.00 0.00 H new ATOM 0 HB THR B 706 -17.249 13.109 -29.199 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.182 11.312 -29.981 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.754 11.016 -27.952 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.336 10.927 -28.762 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.931 10.085 -29.458 1.00 0.00 H new ATOM 1820 N GLY B 707 -16.237 13.593 -32.533 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.908 14.627 -33.502 1.00 0.00 C ATOM 1822 C GLY B 707 -14.743 15.456 -32.984 1.00 0.00 C ATOM 1823 O GLY B 707 -13.729 15.618 -33.662 1.00 0.00 O ATOM 0 H GLY B 707 -15.475 12.929 -32.394 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.649 14.174 -34.459 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.774 15.266 -33.676 1.00 0.00 H new ATOM 1827 N SER B 708 -14.861 15.901 -31.737 1.00 0.00 N ATOM 1828 CA SER B 708 -13.879 16.742 -31.071 1.00 0.00 C ATOM 1829 C SER B 708 -13.613 16.192 -29.662 1.00 0.00 C ATOM 1830 O SER B 708 -13.353 16.964 -28.740 1.00 0.00 O ATOM 1831 CB SER B 708 -14.381 18.193 -31.088 1.00 0.00 C ATOM 1832 OG SER B 708 -14.704 18.596 -32.416 1.00 0.00 O ATOM 0 H SER B 708 -15.664 15.679 -31.149 1.00 0.00 H new ATOM 0 HA SER B 708 -12.920 16.732 -31.590 1.00 0.00 H new ATOM 0 HB2 SER B 708 -15.260 18.287 -30.450 1.00 0.00 H new ATOM 0 HB3 SER B 708 -13.617 18.853 -30.678 1.00 0.00 H new ATOM 0 HG SER B 708 -15.024 19.522 -32.408 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.726 14.861 -29.503 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.366 14.076 -28.315 1.00 0.00 C ATOM 1840 C ASP B 709 -14.017 14.527 -26.996 1.00 0.00 C ATOM 1841 O ASP B 709 -13.588 14.119 -25.911 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.844 13.936 -28.209 1.00 0.00 C ATOM 1843 CG ASP B 709 -11.060 15.203 -27.764 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.278 15.760 -26.658 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -10.162 15.614 -28.539 1.00 0.00 O ATOM 0 H ASP B 709 -14.094 14.271 -30.249 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.802 13.089 -28.473 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.623 13.134 -27.505 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.462 13.622 -29.180 1.00 0.00 H new ATOM 1850 N PHE B 710 -15.120 15.277 -27.084 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.789 16.005 -26.022 1.00 0.00 C ATOM 1852 C PHE B 710 -14.863 17.034 -25.353 1.00 0.00 C ATOM 1853 O PHE B 710 -15.055 18.237 -25.556 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.435 15.044 -25.025 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.531 14.168 -25.597 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.736 14.740 -26.045 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.372 12.771 -25.621 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.790 13.919 -26.488 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.433 11.949 -26.034 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.643 12.519 -26.467 1.00 0.00 C ATOM 0 H PHE B 710 -15.600 15.395 -27.976 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.595 16.586 -26.470 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.659 14.403 -24.607 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.848 15.624 -24.200 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.853 15.814 -26.049 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.433 12.330 -25.321 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.709 14.362 -26.843 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.319 10.875 -26.019 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.458 11.884 -26.783 1.00 0.00 H new