USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 6 LYS NZ :NH3+ -130:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.73) USER MOD Set 2.1: A 22 THR OG1 : rot -64:sc= 0.962 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.13 K(o=2.1,f=-9.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 0.736 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.622 USER MOD Single : A 1 MET CE :methyl -127:sc= -3.82! (180deg=-6.73!) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.28 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -8.21! C(o=-8.2!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -78:sc= 0.9 USER MOD Single : A 60 ASN : amide:sc= -5.07! C(o=-5.1!,f=-3.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 0.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.994 -20.088 -1.966 1.00 0.00 N ATOM 2 CA MET A 1 3.696 -19.649 -3.201 1.00 0.00 C ATOM 3 C MET A 1 4.516 -18.387 -2.951 1.00 0.00 C ATOM 4 O MET A 1 4.333 -17.707 -1.941 1.00 0.00 O ATOM 5 CB MET A 1 2.653 -19.395 -4.290 1.00 0.00 C ATOM 6 CG MET A 1 1.567 -18.416 -3.876 1.00 0.00 C ATOM 7 SD MET A 1 0.842 -17.546 -5.278 1.00 0.00 S ATOM 8 CE MET A 1 -0.846 -17.343 -4.715 1.00 0.00 C ATOM 0 H1 MET A 1 2.154 -20.644 -2.223 1.00 0.00 H new ATOM 0 H2 MET A 1 3.634 -20.673 -1.392 1.00 0.00 H new ATOM 0 H3 MET A 1 2.702 -19.254 -1.417 1.00 0.00 H new ATOM 0 HA MET A 1 4.387 -20.431 -3.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.154 -19.014 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.190 -20.342 -4.566 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.783 -18.954 -3.343 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.985 -17.689 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.530 -17.730 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.987 -17.890 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.049 -16.285 -4.549 1.00 0.00 H new ATOM 20 N GLN A 2 5.419 -18.081 -3.877 1.00 0.00 N ATOM 21 CA GLN A 2 6.267 -16.899 -3.756 1.00 0.00 C ATOM 22 C GLN A 2 5.695 -15.733 -4.555 1.00 0.00 C ATOM 23 O GLN A 2 5.270 -15.901 -5.698 1.00 0.00 O ATOM 24 CB GLN A 2 7.685 -17.214 -4.235 1.00 0.00 C ATOM 25 CG GLN A 2 8.767 -16.790 -3.255 1.00 0.00 C ATOM 26 CD GLN A 2 9.580 -17.962 -2.742 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.697 -18.992 -3.407 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.149 -17.811 -1.551 1.00 0.00 N ATOM 0 H GLN A 2 5.583 -18.634 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 2 6.300 -16.612 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.769 -18.286 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.856 -16.716 -5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.432 -16.076 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.307 -16.275 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.026 -16.940 -1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.709 -18.566 -1.154 1.00 0.00 H new ATOM 37 N LEU A 3 5.688 -14.553 -3.946 1.00 0.00 N ATOM 38 CA LEU A 3 5.169 -13.358 -4.601 1.00 0.00 C ATOM 39 C LEU A 3 6.205 -12.240 -4.590 1.00 0.00 C ATOM 40 O LEU A 3 6.937 -12.067 -3.614 1.00 0.00 O ATOM 41 CB LEU A 3 3.886 -12.889 -3.912 1.00 0.00 C ATOM 42 CG LEU A 3 2.693 -13.835 -4.052 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.548 -13.385 -3.158 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.240 -13.910 -5.503 1.00 0.00 C ATOM 0 H LEU A 3 6.036 -14.398 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 3 4.944 -13.610 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.093 -12.745 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.608 -11.916 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 3 3.004 -14.831 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.708 -14.070 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.877 -13.382 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.237 -12.380 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.390 -14.588 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.946 -12.917 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.059 -14.279 -6.121 1.00 0.00 H new ATOM 56 N PHE A 4 6.264 -11.483 -5.681 1.00 0.00 N ATOM 57 CA PHE A 4 7.211 -10.381 -5.797 1.00 0.00 C ATOM 58 C PHE A 4 6.505 -9.039 -5.640 1.00 0.00 C ATOM 59 O PHE A 4 5.716 -8.638 -6.496 1.00 0.00 O ATOM 60 CB PHE A 4 7.928 -10.439 -7.147 1.00 0.00 C ATOM 61 CG PHE A 4 8.672 -11.725 -7.376 1.00 0.00 C ATOM 62 CD1 PHE A 4 7.999 -12.942 -7.368 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.044 -11.718 -7.600 1.00 0.00 C ATOM 64 CE1 PHE A 4 8.682 -14.130 -7.578 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.732 -12.903 -7.811 1.00 0.00 C ATOM 66 CZ PHE A 4 10.049 -14.109 -7.801 1.00 0.00 C ATOM 0 H PHE A 4 5.667 -11.613 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 4 7.946 -10.480 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.197 -10.305 -7.944 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.628 -9.606 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.933 -12.962 -7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.579 -10.780 -7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.150 -15.070 -7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.798 -12.886 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.583 -15.033 -7.967 1.00 0.00 H new ATOM 76 N VAL A 5 6.792 -8.350 -4.540 1.00 0.00 N ATOM 77 CA VAL A 5 6.182 -7.054 -4.271 1.00 0.00 C ATOM 78 C VAL A 5 7.192 -5.924 -4.440 1.00 0.00 C ATOM 79 O VAL A 5 8.219 -5.889 -3.761 1.00 0.00 O ATOM 80 CB VAL A 5 5.596 -6.993 -2.849 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.810 -5.707 -2.648 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.722 -8.209 -2.580 1.00 0.00 C ATOM 0 H VAL A 5 7.443 -8.668 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 5 5.376 -6.929 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 5 6.420 -7.001 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.404 -5.683 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.469 -4.851 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.993 -5.664 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.316 -8.149 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.903 -8.235 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.320 -9.115 -2.678 1.00 0.00 H new ATOM 92 N LYS A 6 6.893 -5.001 -5.348 1.00 0.00 N ATOM 93 CA LYS A 6 7.775 -3.867 -5.606 1.00 0.00 C ATOM 94 C LYS A 6 7.176 -2.576 -5.055 1.00 0.00 C ATOM 95 O LYS A 6 5.990 -2.520 -4.730 1.00 0.00 O ATOM 96 CB LYS A 6 8.032 -3.726 -7.107 1.00 0.00 C ATOM 97 CG LYS A 6 6.811 -4.018 -7.965 1.00 0.00 C ATOM 98 CD LYS A 6 7.119 -3.852 -9.444 1.00 0.00 C ATOM 99 CE LYS A 6 7.821 -2.533 -9.722 1.00 0.00 C ATOM 100 NZ LYS A 6 7.748 -2.156 -11.161 1.00 0.00 N ATOM 0 H LYS A 6 6.047 -5.015 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 6 8.722 -4.051 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.377 -2.713 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.837 -4.402 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.466 -5.035 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.998 -3.348 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.746 -4.677 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.193 -3.901 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.369 -1.747 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.865 -2.607 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.699 -1.911 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.376 -2.957 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.118 -1.336 -11.274 1.00 0.00 H new ATOM 114 N THR A 7 8.004 -1.543 -4.953 1.00 0.00 N ATOM 115 CA THR A 7 7.557 -0.252 -4.441 1.00 0.00 C ATOM 116 C THR A 7 7.743 0.842 -5.487 1.00 0.00 C ATOM 117 O THR A 7 8.200 0.581 -6.600 1.00 0.00 O ATOM 118 CB THR A 7 8.324 0.107 -3.168 1.00 0.00 C ATOM 119 OG1 THR A 7 9.720 -0.019 -3.370 1.00 0.00 O ATOM 120 CG2 THR A 7 7.952 -0.756 -1.982 1.00 0.00 C ATOM 0 H THR A 7 8.989 -1.574 -5.218 1.00 0.00 H new ATOM 0 HA THR A 7 6.495 -0.329 -4.208 1.00 0.00 H new ATOM 0 HB THR A 7 8.049 1.138 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.153 0.845 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.532 -0.449 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.889 -0.642 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.166 -1.800 -2.210 1.00 0.00 H new ATOM 128 N LEU A 8 7.385 2.070 -5.123 1.00 0.00 N ATOM 129 CA LEU A 8 7.514 3.204 -6.031 1.00 0.00 C ATOM 130 C LEU A 8 8.955 3.702 -6.085 1.00 0.00 C ATOM 131 O LEU A 8 9.301 4.541 -6.916 1.00 0.00 O ATOM 132 CB LEU A 8 6.585 4.340 -5.594 1.00 0.00 C ATOM 133 CG LEU A 8 5.543 4.759 -6.634 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.645 5.852 -6.075 1.00 0.00 C ATOM 135 CD2 LEU A 8 6.222 5.224 -7.913 1.00 0.00 C ATOM 0 H LEU A 8 7.004 2.305 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 8 7.229 2.871 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.067 4.036 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.192 5.209 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 8 4.924 3.894 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.910 6.139 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.131 5.482 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.250 6.719 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.465 5.518 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.865 6.076 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.823 4.412 -8.322 1.00 0.00 H new ATOM 147 N THR A 9 9.791 3.180 -5.193 1.00 0.00 N ATOM 148 CA THR A 9 11.195 3.573 -5.141 1.00 0.00 C ATOM 149 C THR A 9 12.054 2.641 -5.987 1.00 0.00 C ATOM 150 O THR A 9 13.146 3.010 -6.423 1.00 0.00 O ATOM 151 CB THR A 9 11.692 3.573 -3.695 1.00 0.00 C ATOM 152 OG1 THR A 9 11.007 2.599 -2.928 1.00 0.00 O ATOM 153 CG2 THR A 9 11.519 4.908 -3.002 1.00 0.00 C ATOM 0 H THR A 9 9.521 2.485 -4.497 1.00 0.00 H new ATOM 0 HA THR A 9 11.279 4.581 -5.547 1.00 0.00 H new ATOM 0 HB THR A 9 12.757 3.349 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.341 2.614 -2.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.892 4.838 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.078 5.673 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.462 5.175 -2.985 1.00 0.00 H new ATOM 161 N GLY A 10 11.557 1.430 -6.217 1.00 0.00 N ATOM 162 CA GLY A 10 12.292 0.464 -7.011 1.00 0.00 C ATOM 163 C GLY A 10 12.790 -0.708 -6.188 1.00 0.00 C ATOM 164 O GLY A 10 13.643 -1.474 -6.637 1.00 0.00 O ATOM 0 H GLY A 10 10.657 1.101 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.651 0.095 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.141 0.958 -7.484 1.00 0.00 H new ATOM 168 N LYS A 11 12.255 -0.848 -4.980 1.00 0.00 N ATOM 169 CA LYS A 11 12.650 -1.934 -4.090 1.00 0.00 C ATOM 170 C LYS A 11 11.711 -3.127 -4.242 1.00 0.00 C ATOM 171 O LYS A 11 10.491 -2.982 -4.166 1.00 0.00 O ATOM 172 CB LYS A 11 12.656 -1.456 -2.637 1.00 0.00 C ATOM 173 CG LYS A 11 13.827 -1.986 -1.827 1.00 0.00 C ATOM 174 CD LYS A 11 13.376 -2.510 -0.473 1.00 0.00 C ATOM 175 CE LYS A 11 12.862 -3.938 -0.571 1.00 0.00 C ATOM 176 NZ LYS A 11 13.287 -4.763 0.593 1.00 0.00 N ATOM 0 H LYS A 11 11.547 -0.223 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 11 13.657 -2.248 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.678 -0.366 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.726 -1.763 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.322 -2.784 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.561 -1.193 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.208 -2.469 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.591 -1.866 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.774 -3.929 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.228 -4.393 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.916 -5.729 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.326 -4.794 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.916 -4.344 1.470 1.00 0.00 H new ATOM 190 N THR A 12 12.286 -4.305 -4.456 1.00 0.00 N ATOM 191 CA THR A 12 11.498 -5.522 -4.618 1.00 0.00 C ATOM 192 C THR A 12 11.756 -6.495 -3.472 1.00 0.00 C ATOM 193 O THR A 12 12.905 -6.754 -3.112 1.00 0.00 O ATOM 194 CB THR A 12 11.821 -6.190 -5.955 1.00 0.00 C ATOM 195 OG1 THR A 12 11.847 -5.235 -7.000 1.00 0.00 O ATOM 196 CG2 THR A 12 10.830 -7.267 -6.340 1.00 0.00 C ATOM 0 H THR A 12 13.294 -4.444 -4.521 1.00 0.00 H new ATOM 0 HA THR A 12 10.443 -5.246 -4.604 1.00 0.00 H new ATOM 0 HB THR A 12 12.799 -6.651 -5.819 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.057 -5.682 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.117 -7.700 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.824 -8.045 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.834 -6.832 -6.422 1.00 0.00 H new ATOM 204 N LEU A 13 10.681 -7.029 -2.904 1.00 0.00 N ATOM 205 CA LEU A 13 10.791 -7.975 -1.799 1.00 0.00 C ATOM 206 C LEU A 13 10.003 -9.249 -2.092 1.00 0.00 C ATOM 207 O LEU A 13 8.903 -9.198 -2.641 1.00 0.00 O ATOM 208 CB LEU A 13 10.286 -7.337 -0.503 1.00 0.00 C ATOM 209 CG LEU A 13 8.822 -6.894 -0.527 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.910 -8.050 -0.141 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.607 -5.708 0.400 1.00 0.00 C ATOM 0 H LEU A 13 9.724 -6.823 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 13 11.842 -8.238 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.421 -8.049 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.908 -6.471 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 13 8.572 -6.583 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.872 -7.718 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.044 -8.870 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.160 -8.391 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.560 -5.407 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.874 -5.989 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.233 -4.876 0.077 1.00 0.00 H new ATOM 223 N THR A 14 10.575 -10.389 -1.720 1.00 0.00 N ATOM 224 CA THR A 14 9.927 -11.677 -1.943 1.00 0.00 C ATOM 225 C THR A 14 9.165 -12.125 -0.701 1.00 0.00 C ATOM 226 O THR A 14 9.741 -12.261 0.379 1.00 0.00 O ATOM 227 CB THR A 14 10.965 -12.733 -2.328 1.00 0.00 C ATOM 228 OG1 THR A 14 11.441 -12.513 -3.643 1.00 0.00 O ATOM 229 CG2 THR A 14 10.433 -14.148 -2.264 1.00 0.00 C ATOM 0 H THR A 14 11.485 -10.448 -1.263 1.00 0.00 H new ATOM 0 HA THR A 14 9.216 -11.561 -2.761 1.00 0.00 H new ATOM 0 HB THR A 14 11.765 -12.630 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.105 -13.198 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.220 -14.846 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.104 -14.367 -1.248 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.591 -14.251 -2.949 1.00 0.00 H new ATOM 237 N VAL A 15 7.865 -12.354 -0.860 1.00 0.00 N ATOM 238 CA VAL A 15 7.022 -12.788 0.248 1.00 0.00 C ATOM 239 C VAL A 15 6.347 -14.119 -0.064 1.00 0.00 C ATOM 240 O VAL A 15 6.034 -14.412 -1.217 1.00 0.00 O ATOM 241 CB VAL A 15 5.941 -11.741 0.575 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.454 -10.743 1.601 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.485 -11.031 -0.691 1.00 0.00 C ATOM 0 H VAL A 15 7.372 -12.246 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 15 7.674 -12.908 1.113 1.00 0.00 H new ATOM 0 HB VAL A 15 5.082 -12.256 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.675 -10.012 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.724 -11.269 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.331 -10.232 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.721 -10.295 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.335 -10.529 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.072 -11.760 -1.388 1.00 0.00 H new ATOM 253 N GLU A 16 6.126 -14.922 0.972 1.00 0.00 N ATOM 254 CA GLU A 16 5.488 -16.223 0.807 1.00 0.00 C ATOM 255 C GLU A 16 4.053 -16.195 1.325 1.00 0.00 C ATOM 256 O GLU A 16 3.816 -15.998 2.517 1.00 0.00 O ATOM 257 CB GLU A 16 6.285 -17.303 1.541 1.00 0.00 C ATOM 258 CG GLU A 16 6.940 -18.313 0.613 1.00 0.00 C ATOM 259 CD GLU A 16 6.695 -19.745 1.044 1.00 0.00 C ATOM 260 OE1 GLU A 16 5.549 -20.221 0.901 1.00 0.00 O ATOM 261 OE2 GLU A 16 7.649 -20.392 1.525 1.00 0.00 O ATOM 0 H GLU A 16 6.379 -14.695 1.934 1.00 0.00 H new ATOM 0 HA GLU A 16 5.467 -16.456 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.055 -16.826 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.621 -17.829 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.559 -18.172 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.013 -18.126 0.578 1.00 0.00 H new ATOM 268 N LEU A 17 3.100 -16.396 0.421 1.00 0.00 N ATOM 269 CA LEU A 17 1.688 -16.396 0.786 1.00 0.00 C ATOM 270 C LEU A 17 0.929 -17.475 0.019 1.00 0.00 C ATOM 271 O LEU A 17 1.517 -18.225 -0.761 1.00 0.00 O ATOM 272 CB LEU A 17 1.068 -15.024 0.509 1.00 0.00 C ATOM 273 CG LEU A 17 1.420 -13.939 1.528 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.191 -12.557 0.934 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.605 -14.117 2.801 1.00 0.00 C ATOM 0 H LEU A 17 3.280 -16.561 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 17 1.613 -16.612 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.386 -14.691 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.016 -15.132 0.475 1.00 0.00 H new ATOM 0 HG LEU A 17 2.476 -14.033 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.446 -11.797 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.819 -12.432 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.143 -12.451 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.869 -13.336 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.457 -14.049 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.819 -15.093 3.236 1.00 0.00 H new ATOM 287 N GLU A 18 -0.378 -17.547 0.247 1.00 0.00 N ATOM 288 CA GLU A 18 -1.215 -18.536 -0.422 1.00 0.00 C ATOM 289 C GLU A 18 -2.408 -17.870 -1.101 1.00 0.00 C ATOM 290 O GLU A 18 -2.877 -16.818 -0.667 1.00 0.00 O ATOM 291 CB GLU A 18 -1.702 -19.581 0.582 1.00 0.00 C ATOM 292 CG GLU A 18 -0.586 -20.195 1.409 1.00 0.00 C ATOM 293 CD GLU A 18 -0.232 -21.599 0.960 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.536 -21.946 -0.201 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.348 -22.353 1.769 1.00 0.00 O ATOM 0 H GLU A 18 -0.880 -16.933 0.889 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.614 -19.028 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.427 -19.119 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.223 -20.373 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.299 -19.563 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.885 -20.217 2.457 1.00 0.00 H new ATOM 302 N PRO A 19 -2.913 -18.483 -2.182 1.00 0.00 N ATOM 303 CA PRO A 19 -4.057 -17.955 -2.933 1.00 0.00 C ATOM 304 C PRO A 19 -5.298 -17.790 -2.061 1.00 0.00 C ATOM 305 O PRO A 19 -6.234 -17.078 -2.424 1.00 0.00 O ATOM 306 CB PRO A 19 -4.304 -19.016 -4.012 1.00 0.00 C ATOM 307 CG PRO A 19 -3.015 -19.753 -4.131 1.00 0.00 C ATOM 308 CD PRO A 19 -2.406 -19.738 -2.758 1.00 0.00 C ATOM 0 HA PRO A 19 -3.852 -16.962 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.116 -19.685 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.585 -18.557 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.179 -20.774 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.357 -19.274 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.713 -20.604 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.317 -19.751 -2.800 1.00 0.00 H new ATOM 316 N SER A 20 -5.298 -18.452 -0.908 1.00 0.00 N ATOM 317 CA SER A 20 -6.425 -18.380 0.015 1.00 0.00 C ATOM 318 C SER A 20 -6.274 -17.205 0.978 1.00 0.00 C ATOM 319 O SER A 20 -7.127 -16.982 1.837 1.00 0.00 O ATOM 320 CB SER A 20 -6.550 -19.686 0.803 1.00 0.00 C ATOM 321 OG SER A 20 -5.642 -19.714 1.891 1.00 0.00 O ATOM 0 H SER A 20 -4.530 -19.044 -0.591 1.00 0.00 H new ATOM 0 HA SER A 20 -7.330 -18.227 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.569 -19.795 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.358 -20.532 0.143 1.00 0.00 H new ATOM 0 HG SER A 20 -5.743 -20.558 2.379 1.00 0.00 H new ATOM 327 N ASP A 21 -5.185 -16.456 0.832 1.00 0.00 N ATOM 328 CA ASP A 21 -4.929 -15.305 1.692 1.00 0.00 C ATOM 329 C ASP A 21 -5.840 -14.138 1.326 1.00 0.00 C ATOM 330 O ASP A 21 -6.359 -14.070 0.211 1.00 0.00 O ATOM 331 CB ASP A 21 -3.464 -14.878 1.587 1.00 0.00 C ATOM 332 CG ASP A 21 -2.580 -15.600 2.585 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.463 -15.117 3.731 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.004 -16.646 2.220 1.00 0.00 O ATOM 0 H ASP A 21 -4.467 -16.625 0.128 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.141 -15.598 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.103 -15.073 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.389 -13.803 1.750 1.00 0.00 H new ATOM 339 N THR A 22 -6.032 -13.224 2.270 1.00 0.00 N ATOM 340 CA THR A 22 -6.882 -12.060 2.045 1.00 0.00 C ATOM 341 C THR A 22 -6.056 -10.778 2.014 1.00 0.00 C ATOM 342 O THR A 22 -4.926 -10.743 2.503 1.00 0.00 O ATOM 343 CB THR A 22 -7.949 -11.964 3.138 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.350 -11.919 4.421 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.922 -13.123 3.126 1.00 0.00 C ATOM 0 H THR A 22 -5.611 -13.266 3.198 1.00 0.00 H new ATOM 0 HA THR A 22 -7.369 -12.180 1.077 1.00 0.00 H new ATOM 0 HB THR A 22 -8.498 -11.047 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.871 -12.757 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.652 -12.994 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.437 -13.156 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.379 -14.056 3.278 1.00 0.00 H new ATOM 353 N VAL A 23 -6.628 -9.726 1.436 1.00 0.00 N ATOM 354 CA VAL A 23 -5.944 -8.443 1.342 1.00 0.00 C ATOM 355 C VAL A 23 -5.364 -8.035 2.691 1.00 0.00 C ATOM 356 O VAL A 23 -4.205 -7.630 2.784 1.00 0.00 O ATOM 357 CB VAL A 23 -6.892 -7.334 0.847 1.00 0.00 C ATOM 358 CG1 VAL A 23 -6.185 -5.987 0.851 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.420 -7.663 -0.541 1.00 0.00 C ATOM 0 H VAL A 23 -7.562 -9.738 1.027 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.136 -8.566 0.621 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.741 -7.275 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.870 -5.216 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.861 -5.749 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.317 -6.030 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.088 -6.868 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.585 -7.751 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.966 -8.606 -0.509 1.00 0.00 H new ATOM 369 N GLU A 24 -6.178 -8.146 3.736 1.00 0.00 N ATOM 370 CA GLU A 24 -5.746 -7.791 5.081 1.00 0.00 C ATOM 371 C GLU A 24 -4.445 -8.503 5.437 1.00 0.00 C ATOM 372 O GLU A 24 -3.547 -7.913 6.035 1.00 0.00 O ATOM 373 CB GLU A 24 -6.831 -8.145 6.100 1.00 0.00 C ATOM 374 CG GLU A 24 -7.911 -7.083 6.233 1.00 0.00 C ATOM 375 CD GLU A 24 -8.525 -7.045 7.618 1.00 0.00 C ATOM 376 OE1 GLU A 24 -9.493 -7.797 7.858 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.039 -6.264 8.463 1.00 0.00 O ATOM 0 H GLU A 24 -7.140 -8.479 3.676 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.572 -6.715 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.294 -9.088 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.366 -8.302 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.485 -6.107 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.693 -7.272 5.498 1.00 0.00 H new ATOM 384 N ASN A 25 -4.350 -9.774 5.058 1.00 0.00 N ATOM 385 CA ASN A 25 -3.156 -10.564 5.333 1.00 0.00 C ATOM 386 C ASN A 25 -1.942 -9.961 4.636 1.00 0.00 C ATOM 387 O ASN A 25 -0.972 -9.567 5.287 1.00 0.00 O ATOM 388 CB ASN A 25 -3.359 -12.010 4.874 1.00 0.00 C ATOM 389 CG ASN A 25 -4.388 -12.742 5.714 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.423 -13.177 5.209 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.107 -12.883 7.004 1.00 0.00 N ATOM 0 H ASN A 25 -5.084 -10.277 4.561 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.980 -10.556 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.674 -12.017 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.409 -12.541 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.761 -13.368 7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.237 -12.507 7.381 1.00 0.00 H new ATOM 398 N LEU A 26 -2.001 -9.885 3.311 1.00 0.00 N ATOM 399 CA LEU A 26 -0.906 -9.321 2.533 1.00 0.00 C ATOM 400 C LEU A 26 -0.473 -7.984 3.120 1.00 0.00 C ATOM 401 O LEU A 26 0.719 -7.704 3.249 1.00 0.00 O ATOM 402 CB LEU A 26 -1.322 -9.145 1.072 1.00 0.00 C ATOM 403 CG LEU A 26 -0.379 -8.284 0.230 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.068 -8.695 0.459 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.736 -8.389 -1.245 1.00 0.00 C ATOM 0 H LEU A 26 -2.794 -10.206 2.755 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.063 -10.011 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.399 -10.130 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.317 -8.701 1.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.494 -7.245 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.724 -8.071 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.320 -8.569 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.198 -9.740 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.055 -7.770 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.650 -9.427 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.759 -8.045 -1.397 1.00 0.00 H new ATOM 417 N LYS A 27 -1.455 -7.162 3.485 1.00 0.00 N ATOM 418 CA LYS A 27 -1.177 -5.857 4.069 1.00 0.00 C ATOM 419 C LYS A 27 -0.319 -6.009 5.319 1.00 0.00 C ATOM 420 O LYS A 27 0.652 -5.278 5.511 1.00 0.00 O ATOM 421 CB LYS A 27 -2.484 -5.139 4.414 1.00 0.00 C ATOM 422 CG LYS A 27 -3.488 -5.124 3.275 1.00 0.00 C ATOM 423 CD LYS A 27 -3.639 -3.731 2.683 1.00 0.00 C ATOM 424 CE LYS A 27 -3.533 -3.756 1.167 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.595 -2.936 0.521 1.00 0.00 N ATOM 0 H LYS A 27 -2.447 -7.378 3.386 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.631 -5.260 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.937 -5.622 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.259 -4.112 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.168 -5.818 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.455 -5.474 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.602 -3.313 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.870 -3.075 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.554 -3.384 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.605 -4.785 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.487 -2.980 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.530 -3.306 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.511 -1.948 0.836 1.00 0.00 H new ATOM 439 N ALA A 28 -0.680 -6.971 6.163 1.00 0.00 N ATOM 440 CA ALA A 28 0.062 -7.227 7.389 1.00 0.00 C ATOM 441 C ALA A 28 1.534 -7.466 7.082 1.00 0.00 C ATOM 442 O ALA A 28 2.415 -6.971 7.786 1.00 0.00 O ATOM 443 CB ALA A 28 -0.528 -8.418 8.127 1.00 0.00 C ATOM 0 H ALA A 28 -1.482 -7.585 6.019 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.017 -6.349 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.038 -8.596 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.568 -8.211 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.477 -9.302 7.491 1.00 0.00 H new ATOM 449 N LYS A 29 1.792 -8.223 6.020 1.00 0.00 N ATOM 450 CA LYS A 29 3.158 -8.522 5.611 1.00 0.00 C ATOM 451 C LYS A 29 3.909 -7.239 5.278 1.00 0.00 C ATOM 452 O LYS A 29 5.064 -7.062 5.668 1.00 0.00 O ATOM 453 CB LYS A 29 3.160 -9.457 4.400 1.00 0.00 C ATOM 454 CG LYS A 29 2.578 -10.831 4.692 1.00 0.00 C ATOM 455 CD LYS A 29 3.672 -11.858 4.936 1.00 0.00 C ATOM 456 CE LYS A 29 3.340 -12.757 6.115 1.00 0.00 C ATOM 457 NZ LYS A 29 3.605 -12.087 7.417 1.00 0.00 N ATOM 0 H LYS A 29 1.073 -8.640 5.428 1.00 0.00 H new ATOM 0 HA LYS A 29 3.662 -9.018 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.591 -8.995 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.183 -9.573 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.929 -10.774 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.958 -11.150 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.808 -12.465 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.617 -11.347 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.291 -13.049 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.929 -13.672 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.366 -12.734 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.611 -11.831 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.024 -11.228 7.490 1.00 0.00 H new ATOM 471 N ILE A 30 3.242 -6.342 4.558 1.00 0.00 N ATOM 472 CA ILE A 30 3.843 -5.071 4.175 1.00 0.00 C ATOM 473 C ILE A 30 3.994 -4.156 5.386 1.00 0.00 C ATOM 474 O ILE A 30 4.778 -3.206 5.364 1.00 0.00 O ATOM 475 CB ILE A 30 3.002 -4.350 3.104 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.662 -5.306 1.959 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.745 -3.130 2.580 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.970 -4.633 0.795 1.00 0.00 C ATOM 0 H ILE A 30 2.286 -6.473 4.229 1.00 0.00 H new ATOM 0 HA ILE A 30 4.826 -5.295 3.761 1.00 0.00 H new ATOM 0 HB ILE A 30 2.070 -4.016 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.579 -5.775 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.023 -6.103 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.138 -2.631 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.939 -2.441 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.691 -3.442 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.759 -5.371 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.035 -4.188 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.616 -3.855 0.388 1.00 0.00 H new ATOM 490 N GLN A 31 3.240 -4.449 6.440 1.00 0.00 N ATOM 491 CA GLN A 31 3.290 -3.655 7.661 1.00 0.00 C ATOM 492 C GLN A 31 4.359 -4.188 8.611 1.00 0.00 C ATOM 493 O GLN A 31 4.914 -3.441 9.417 1.00 0.00 O ATOM 494 CB GLN A 31 1.926 -3.659 8.355 1.00 0.00 C ATOM 495 CG GLN A 31 1.802 -2.618 9.455 1.00 0.00 C ATOM 496 CD GLN A 31 0.468 -2.684 10.173 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.204 -1.669 10.353 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.080 -3.883 10.591 1.00 0.00 N ATOM 0 H GLN A 31 2.586 -5.231 6.473 1.00 0.00 H new ATOM 0 HA GLN A 31 3.547 -2.631 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.148 -3.484 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.746 -4.647 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.606 -2.760 10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.931 -1.624 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.669 -4.698 10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.807 -3.989 11.083 1.00 0.00 H new ATOM 507 N ASP A 32 4.642 -5.482 8.510 1.00 0.00 N ATOM 508 CA ASP A 32 5.646 -6.111 9.358 1.00 0.00 C ATOM 509 C ASP A 32 7.031 -6.015 8.727 1.00 0.00 C ATOM 510 O ASP A 32 8.038 -6.322 9.365 1.00 0.00 O ATOM 511 CB ASP A 32 5.288 -7.572 9.611 1.00 0.00 C ATOM 512 CG ASP A 32 5.059 -7.866 11.080 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.329 -6.976 11.913 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.609 -8.987 11.398 1.00 0.00 O ATOM 0 H ASP A 32 4.190 -6.115 7.850 1.00 0.00 H new ATOM 0 HA ASP A 32 5.664 -5.580 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.389 -7.825 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.089 -8.209 9.236 1.00 0.00 H new ATOM 519 N LYS A 33 7.074 -5.585 7.469 1.00 0.00 N ATOM 520 CA LYS A 33 8.335 -5.447 6.751 1.00 0.00 C ATOM 521 C LYS A 33 8.563 -4.001 6.325 1.00 0.00 C ATOM 522 O LYS A 33 9.581 -3.397 6.662 1.00 0.00 O ATOM 523 CB LYS A 33 8.349 -6.359 5.522 1.00 0.00 C ATOM 524 CG LYS A 33 8.717 -7.801 5.836 1.00 0.00 C ATOM 525 CD LYS A 33 8.473 -8.709 4.643 1.00 0.00 C ATOM 526 CE LYS A 33 7.398 -9.743 4.940 1.00 0.00 C ATOM 527 NZ LYS A 33 7.936 -10.897 5.711 1.00 0.00 N ATOM 0 H LYS A 33 6.250 -5.326 6.927 1.00 0.00 H new ATOM 0 HA LYS A 33 9.141 -5.741 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.365 -6.338 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.057 -5.963 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.766 -7.855 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.132 -8.150 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.175 -8.109 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.400 -9.214 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.590 -9.275 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.969 -10.100 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.172 -11.579 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.690 -11.359 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.322 -10.560 6.616 1.00 0.00 H new ATOM 541 N GLU A 34 7.608 -3.450 5.582 1.00 0.00 N ATOM 542 CA GLU A 34 7.704 -2.074 5.109 1.00 0.00 C ATOM 543 C GLU A 34 7.062 -1.108 6.101 1.00 0.00 C ATOM 544 O GLU A 34 7.063 0.106 5.888 1.00 0.00 O ATOM 545 CB GLU A 34 7.036 -1.934 3.741 1.00 0.00 C ATOM 546 CG GLU A 34 7.566 -2.910 2.703 1.00 0.00 C ATOM 547 CD GLU A 34 8.746 -2.353 1.930 1.00 0.00 C ATOM 548 OE1 GLU A 34 9.824 -2.183 2.535 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.591 -2.088 0.720 1.00 0.00 O ATOM 0 H GLU A 34 6.759 -3.936 5.295 1.00 0.00 H new ATOM 0 HA GLU A 34 8.761 -1.823 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.962 -2.083 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.180 -0.916 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.864 -3.835 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.767 -3.164 2.007 1.00 0.00 H new ATOM 556 N GLY A 35 6.516 -1.651 7.185 1.00 0.00 N ATOM 557 CA GLY A 35 5.883 -0.821 8.190 1.00 0.00 C ATOM 558 C GLY A 35 4.862 0.132 7.600 1.00 0.00 C ATOM 559 O GLY A 35 4.702 1.255 8.080 1.00 0.00 O ATOM 0 H GLY A 35 6.501 -2.651 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.396 -1.458 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.647 -0.249 8.717 1.00 0.00 H new ATOM 563 N ILE A 36 4.169 -0.315 6.558 1.00 0.00 N ATOM 564 CA ILE A 36 3.159 0.510 5.903 1.00 0.00 C ATOM 565 C ILE A 36 1.752 0.012 6.222 1.00 0.00 C ATOM 566 O ILE A 36 1.406 -1.132 5.928 1.00 0.00 O ATOM 567 CB ILE A 36 3.348 0.527 4.375 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.694 1.157 4.013 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.208 1.282 3.710 1.00 0.00 C ATOM 570 CD1 ILE A 36 4.911 1.302 2.523 1.00 0.00 C ATOM 0 H ILE A 36 4.287 -1.242 6.149 1.00 0.00 H new ATOM 0 HA ILE A 36 3.282 1.522 6.288 1.00 0.00 H new ATOM 0 HB ILE A 36 3.339 -0.500 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.763 2.140 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.495 0.548 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.355 1.286 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.262 0.794 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.188 2.308 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.885 1.756 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.874 0.319 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.131 1.936 2.102 1.00 0.00 H new ATOM 582 N PRO A 37 0.922 0.872 6.830 1.00 0.00 N ATOM 583 CA PRO A 37 -0.457 0.525 7.192 1.00 0.00 C ATOM 584 C PRO A 37 -1.300 0.162 5.974 1.00 0.00 C ATOM 585 O PRO A 37 -1.028 0.613 4.861 1.00 0.00 O ATOM 586 CB PRO A 37 -0.994 1.801 7.853 1.00 0.00 C ATOM 587 CG PRO A 37 0.218 2.577 8.240 1.00 0.00 C ATOM 588 CD PRO A 37 1.261 2.251 7.212 1.00 0.00 C ATOM 0 HA PRO A 37 -0.496 -0.351 7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.622 2.367 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.607 1.566 8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.008 3.646 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.555 2.302 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.215 2.930 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.269 2.321 7.622 1.00 0.00 H new ATOM 596 N PRO A 38 -2.338 -0.663 6.174 1.00 0.00 N ATOM 597 CA PRO A 38 -3.230 -1.096 5.093 1.00 0.00 C ATOM 598 C PRO A 38 -3.939 0.076 4.422 1.00 0.00 C ATOM 599 O PRO A 38 -4.055 0.125 3.197 1.00 0.00 O ATOM 600 CB PRO A 38 -4.248 -1.999 5.799 1.00 0.00 C ATOM 601 CG PRO A 38 -3.592 -2.399 7.077 1.00 0.00 C ATOM 602 CD PRO A 38 -2.720 -1.242 7.470 1.00 0.00 C ATOM 0 HA PRO A 38 -2.681 -1.596 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.183 -1.470 5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.491 -2.870 5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.333 -2.609 7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.002 -3.306 6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.257 -0.524 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.849 -1.567 8.039 1.00 0.00 H new ATOM 610 N ASP A 39 -4.413 1.017 5.232 1.00 0.00 N ATOM 611 CA ASP A 39 -5.113 2.189 4.716 1.00 0.00 C ATOM 612 C ASP A 39 -4.216 2.994 3.781 1.00 0.00 C ATOM 613 O ASP A 39 -4.698 3.782 2.968 1.00 0.00 O ATOM 614 CB ASP A 39 -5.588 3.073 5.870 1.00 0.00 C ATOM 615 CG ASP A 39 -6.824 3.875 5.514 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.741 4.717 4.594 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.875 3.663 6.154 1.00 0.00 O ATOM 0 H ASP A 39 -4.325 0.991 6.248 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.978 1.843 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.801 2.449 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.786 3.754 6.156 1.00 0.00 H new ATOM 622 N GLN A 40 -2.909 2.790 3.904 1.00 0.00 N ATOM 623 CA GLN A 40 -1.944 3.498 3.070 1.00 0.00 C ATOM 624 C GLN A 40 -1.323 2.561 2.039 1.00 0.00 C ATOM 625 O GLN A 40 -0.233 2.818 1.528 1.00 0.00 O ATOM 626 CB GLN A 40 -0.848 4.117 3.940 1.00 0.00 C ATOM 627 CG GLN A 40 -1.347 4.603 5.291 1.00 0.00 C ATOM 628 CD GLN A 40 -0.702 5.907 5.717 1.00 0.00 C ATOM 629 OE1 GLN A 40 -1.388 6.884 6.016 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.625 5.927 5.748 1.00 0.00 N ATOM 0 H GLN A 40 -2.494 2.141 4.572 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.471 4.291 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.060 3.380 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.400 4.954 3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.428 4.734 5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.147 3.840 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.154 5.093 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.116 6.776 6.028 1.00 0.00 H new ATOM 639 N GLN A 41 -2.024 1.472 1.737 1.00 0.00 N ATOM 640 CA GLN A 41 -1.539 0.497 0.766 1.00 0.00 C ATOM 641 C GLN A 41 -2.384 0.520 -0.503 1.00 0.00 C ATOM 642 O GLN A 41 -3.614 0.526 -0.444 1.00 0.00 O ATOM 643 CB GLN A 41 -1.553 -0.906 1.375 1.00 0.00 C ATOM 644 CG GLN A 41 -0.306 -1.233 2.177 1.00 0.00 C ATOM 645 CD GLN A 41 -0.348 -2.626 2.775 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.433 -3.621 2.054 1.00 0.00 O ATOM 647 NE2 GLN A 41 -0.287 -2.705 4.097 1.00 0.00 N ATOM 0 H GLN A 41 -2.928 1.243 2.150 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.516 0.764 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.426 -1.004 2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.663 -1.639 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.569 -1.144 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.190 -0.501 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.217 -1.855 4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.310 -3.616 4.555 1.00 0.00 H new ATOM 656 N ARG A 42 -1.715 0.530 -1.652 1.00 0.00 N ATOM 657 CA ARG A 42 -2.400 0.548 -2.939 1.00 0.00 C ATOM 658 C ARG A 42 -1.687 -0.355 -3.940 1.00 0.00 C ATOM 659 O ARG A 42 -0.838 0.100 -4.706 1.00 0.00 O ATOM 660 CB ARG A 42 -2.475 1.975 -3.484 1.00 0.00 C ATOM 661 CG ARG A 42 -3.454 2.136 -4.634 1.00 0.00 C ATOM 662 CD ARG A 42 -3.327 3.502 -5.288 1.00 0.00 C ATOM 663 NE ARG A 42 -3.096 3.401 -6.727 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.051 3.123 -7.608 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.296 2.922 -7.198 1.00 0.00 N ATOM 666 NH2 ARG A 42 -3.761 3.046 -8.900 1.00 0.00 N ATOM 0 H ARG A 42 -0.697 0.526 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.413 0.173 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.762 2.649 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.483 2.281 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.275 1.358 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.472 2.000 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.235 4.077 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.505 4.050 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.149 3.552 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.522 2.981 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.028 2.709 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.804 3.200 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.495 2.833 -9.576 1.00 0.00 H new ATOM 680 N LEU A 43 -2.036 -1.638 -3.925 1.00 0.00 N ATOM 681 CA LEU A 43 -1.426 -2.606 -4.829 1.00 0.00 C ATOM 682 C LEU A 43 -2.209 -2.703 -6.134 1.00 0.00 C ATOM 683 O LEU A 43 -3.437 -2.791 -6.129 1.00 0.00 O ATOM 684 CB LEU A 43 -1.354 -3.981 -4.162 1.00 0.00 C ATOM 685 CG LEU A 43 -0.518 -4.036 -2.882 1.00 0.00 C ATOM 686 CD1 LEU A 43 -0.991 -5.168 -1.983 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.957 -4.201 -3.217 1.00 0.00 C ATOM 0 H LEU A 43 -2.737 -2.031 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.416 -2.265 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.367 -4.309 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.943 -4.694 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.647 -3.096 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.384 -5.191 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.036 -5.008 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.892 -6.117 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.538 -4.238 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.102 -5.126 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.290 -3.357 -3.821 1.00 0.00 H new ATOM 699 N ILE A 44 -1.490 -2.685 -7.251 1.00 0.00 N ATOM 700 CA ILE A 44 -2.115 -2.772 -8.565 1.00 0.00 C ATOM 701 C ILE A 44 -1.592 -3.973 -9.343 1.00 0.00 C ATOM 702 O ILE A 44 -0.741 -3.833 -10.222 1.00 0.00 O ATOM 703 CB ILE A 44 -1.870 -1.495 -9.390 1.00 0.00 C ATOM 704 CG1 ILE A 44 -1.973 -0.256 -8.499 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.859 -1.412 -10.543 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.313 -0.116 -7.811 1.00 0.00 C ATOM 0 H ILE A 44 -0.473 -2.611 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.186 -2.888 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.863 -1.536 -9.804 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.188 -0.295 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.789 0.632 -9.103 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.673 -0.504 -11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.738 -2.281 -11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.875 -1.391 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.314 0.784 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.101 -0.044 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.491 -0.987 -7.180 1.00 0.00 H new ATOM 718 N PHE A 45 -2.106 -5.154 -9.016 1.00 0.00 N ATOM 719 CA PHE A 45 -1.689 -6.381 -9.685 1.00 0.00 C ATOM 720 C PHE A 45 -1.851 -6.258 -11.197 1.00 0.00 C ATOM 721 O PHE A 45 -2.888 -6.620 -11.752 1.00 0.00 O ATOM 722 CB PHE A 45 -2.500 -7.570 -9.167 1.00 0.00 C ATOM 723 CG PHE A 45 -2.318 -8.820 -9.977 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.089 -9.472 -10.005 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.373 -9.348 -10.713 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.917 -10.628 -10.751 1.00 0.00 C ATOM 727 CE2 PHE A 45 -3.206 -10.503 -11.461 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.978 -11.143 -11.480 1.00 0.00 C ATOM 0 H PHE A 45 -2.812 -5.287 -8.292 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.635 -6.546 -9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.215 -7.771 -8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.557 -7.303 -9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.260 -9.073 -9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.333 -8.853 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.041 -11.126 -10.764 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.033 -10.904 -12.029 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.847 -12.043 -12.062 1.00 0.00 H new ATOM 738 N ALA A 46 -0.817 -5.744 -11.856 1.00 0.00 N ATOM 739 CA ALA A 46 -0.842 -5.574 -13.304 1.00 0.00 C ATOM 740 C ALA A 46 -2.081 -4.802 -13.747 1.00 0.00 C ATOM 741 O ALA A 46 -2.678 -5.109 -14.779 1.00 0.00 O ATOM 742 CB ALA A 46 -0.786 -6.927 -13.996 1.00 0.00 C ATOM 0 H ALA A 46 0.048 -5.438 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 46 0.036 -4.995 -13.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.805 -6.784 -15.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.133 -7.442 -13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.645 -7.526 -13.694 1.00 0.00 H new ATOM 748 N GLY A 47 -2.459 -3.799 -12.962 1.00 0.00 N ATOM 749 CA GLY A 47 -3.624 -2.999 -13.293 1.00 0.00 C ATOM 750 C GLY A 47 -4.849 -3.396 -12.493 1.00 0.00 C ATOM 751 O GLY A 47 -5.943 -2.883 -12.727 1.00 0.00 O ATOM 0 H GLY A 47 -1.980 -3.526 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.401 -1.947 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.840 -3.101 -14.356 1.00 0.00 H new ATOM 755 N LYS A 48 -4.666 -4.312 -11.548 1.00 0.00 N ATOM 756 CA LYS A 48 -5.767 -4.776 -10.712 1.00 0.00 C ATOM 757 C LYS A 48 -5.628 -4.251 -9.286 1.00 0.00 C ATOM 758 O LYS A 48 -4.794 -4.729 -8.517 1.00 0.00 O ATOM 759 CB LYS A 48 -5.818 -6.305 -10.702 1.00 0.00 C ATOM 760 CG LYS A 48 -6.130 -6.912 -12.060 1.00 0.00 C ATOM 761 CD LYS A 48 -7.360 -7.803 -12.002 1.00 0.00 C ATOM 762 CE LYS A 48 -7.574 -8.543 -13.313 1.00 0.00 C ATOM 763 NZ LYS A 48 -8.505 -7.815 -14.218 1.00 0.00 N ATOM 0 H LYS A 48 -3.767 -4.747 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.696 -4.391 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.860 -6.690 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.572 -6.630 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.290 -6.116 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.275 -7.493 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.252 -8.522 -11.190 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.238 -7.198 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.615 -8.680 -13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.971 -9.537 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.623 -8.353 -15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.428 -7.707 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.115 -6.876 -14.435 1.00 0.00 H new ATOM 777 N GLN A 49 -6.451 -3.266 -8.941 1.00 0.00 N ATOM 778 CA GLN A 49 -6.420 -2.676 -7.608 1.00 0.00 C ATOM 779 C GLN A 49 -7.021 -3.627 -6.579 1.00 0.00 C ATOM 780 O GLN A 49 -8.240 -3.785 -6.503 1.00 0.00 O ATOM 781 CB GLN A 49 -7.181 -1.348 -7.598 1.00 0.00 C ATOM 782 CG GLN A 49 -6.316 -0.153 -7.230 1.00 0.00 C ATOM 783 CD GLN A 49 -7.103 0.950 -6.550 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.029 1.517 -7.132 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.739 1.262 -5.312 1.00 0.00 N ATOM 0 H GLN A 49 -7.147 -2.860 -9.566 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.379 -2.493 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.616 -1.181 -8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.008 -1.418 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.512 -0.480 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.847 0.243 -8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.966 0.767 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.232 1.997 -4.805 1.00 0.00 H new ATOM 794 N LEU A 50 -6.159 -4.259 -5.788 1.00 0.00 N ATOM 795 CA LEU A 50 -6.608 -5.194 -4.763 1.00 0.00 C ATOM 796 C LEU A 50 -7.699 -4.573 -3.899 1.00 0.00 C ATOM 797 O LEU A 50 -7.526 -3.483 -3.352 1.00 0.00 O ATOM 798 CB LEU A 50 -5.432 -5.627 -3.885 1.00 0.00 C ATOM 799 CG LEU A 50 -4.213 -6.154 -4.645 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.322 -6.969 -3.722 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.650 -6.987 -5.840 1.00 0.00 C ATOM 0 H LEU A 50 -5.147 -4.141 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.020 -6.070 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.122 -4.778 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.776 -6.402 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.640 -5.302 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.460 -7.336 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.981 -6.342 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.885 -7.814 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.770 -7.354 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.245 -7.833 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.248 -6.372 -6.513 1.00 0.00 H new ATOM 813 N GLU A 51 -8.822 -5.272 -3.778 1.00 0.00 N ATOM 814 CA GLU A 51 -9.941 -4.789 -2.978 1.00 0.00 C ATOM 815 C GLU A 51 -9.982 -5.486 -1.624 1.00 0.00 C ATOM 816 O GLU A 51 -10.259 -6.683 -1.538 1.00 0.00 O ATOM 817 CB GLU A 51 -11.260 -5.011 -3.720 1.00 0.00 C ATOM 818 CG GLU A 51 -11.520 -3.992 -4.818 1.00 0.00 C ATOM 819 CD GLU A 51 -12.095 -2.695 -4.284 1.00 0.00 C ATOM 820 OE1 GLU A 51 -12.143 -2.531 -3.047 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.501 -1.845 -5.104 1.00 0.00 O ATOM 0 H GLU A 51 -8.982 -6.175 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.802 -3.721 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.258 -6.010 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.080 -4.978 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.588 -3.783 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.209 -4.417 -5.548 1.00 0.00 H new ATOM 828 N ASP A 52 -9.704 -4.732 -0.565 1.00 0.00 N ATOM 829 CA ASP A 52 -9.708 -5.273 0.784 1.00 0.00 C ATOM 830 C ASP A 52 -10.865 -6.250 0.979 1.00 0.00 C ATOM 831 O ASP A 52 -11.936 -6.084 0.394 1.00 0.00 O ATOM 832 CB ASP A 52 -9.791 -4.132 1.802 1.00 0.00 C ATOM 833 CG ASP A 52 -11.218 -3.750 2.146 1.00 0.00 C ATOM 834 OD1 ASP A 52 -11.911 -4.563 2.794 1.00 0.00 O ATOM 835 OD2 ASP A 52 -11.644 -2.637 1.770 1.00 0.00 O ATOM 0 H ASP A 52 -9.472 -3.740 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.779 -5.821 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.269 -4.426 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.272 -3.259 1.405 1.00 0.00 H new ATOM 840 N GLY A 53 -10.641 -7.268 1.803 1.00 0.00 N ATOM 841 CA GLY A 53 -11.672 -8.255 2.061 1.00 0.00 C ATOM 842 C GLY A 53 -11.664 -9.380 1.045 1.00 0.00 C ATOM 843 O GLY A 53 -12.301 -10.414 1.248 1.00 0.00 O ATOM 0 H GLY A 53 -9.763 -7.427 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.532 -8.670 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.647 -7.768 2.052 1.00 0.00 H new ATOM 847 N ARG A 54 -10.943 -9.177 -0.053 1.00 0.00 N ATOM 848 CA ARG A 54 -10.856 -10.183 -1.107 1.00 0.00 C ATOM 849 C ARG A 54 -9.616 -11.052 -0.929 1.00 0.00 C ATOM 850 O ARG A 54 -8.646 -10.645 -0.289 1.00 0.00 O ATOM 851 CB ARG A 54 -10.828 -9.510 -2.481 1.00 0.00 C ATOM 852 CG ARG A 54 -11.914 -8.463 -2.668 1.00 0.00 C ATOM 853 CD ARG A 54 -13.153 -9.056 -3.321 1.00 0.00 C ATOM 854 NE ARG A 54 -13.769 -8.133 -4.270 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.523 -8.523 -5.291 1.00 0.00 C ATOM 856 NH1 ARG A 54 -14.753 -9.813 -5.495 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.050 -7.623 -6.111 1.00 0.00 N ATOM 0 H ARG A 54 -10.411 -8.326 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.737 -10.821 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.855 -9.042 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.934 -10.273 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.180 -8.036 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.533 -7.647 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.885 -9.979 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.877 -9.320 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.611 -7.133 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.350 -10.508 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.333 -10.110 -6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.876 -6.630 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.629 -7.924 -6.895 1.00 0.00 H new ATOM 871 N THR A 55 -9.653 -12.252 -1.501 1.00 0.00 N ATOM 872 CA THR A 55 -8.532 -13.179 -1.406 1.00 0.00 C ATOM 873 C THR A 55 -7.613 -13.047 -2.617 1.00 0.00 C ATOM 874 O THR A 55 -8.029 -12.574 -3.675 1.00 0.00 O ATOM 875 CB THR A 55 -9.040 -14.617 -1.289 1.00 0.00 C ATOM 876 OG1 THR A 55 -10.072 -14.862 -2.226 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.578 -14.952 0.085 1.00 0.00 C ATOM 0 H THR A 55 -10.447 -12.604 -2.035 1.00 0.00 H new ATOM 0 HA THR A 55 -7.961 -12.930 -0.511 1.00 0.00 H new ATOM 0 HB THR A 55 -8.172 -15.246 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.382 -15.787 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.922 -15.986 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.790 -14.821 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.411 -14.290 0.321 1.00 0.00 H new ATOM 885 N LEU A 56 -6.364 -13.468 -2.454 1.00 0.00 N ATOM 886 CA LEU A 56 -5.386 -13.397 -3.535 1.00 0.00 C ATOM 887 C LEU A 56 -5.850 -14.203 -4.743 1.00 0.00 C ATOM 888 O LEU A 56 -5.576 -13.838 -5.887 1.00 0.00 O ATOM 889 CB LEU A 56 -4.027 -13.911 -3.055 1.00 0.00 C ATOM 890 CG LEU A 56 -3.519 -13.288 -1.753 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.001 -13.322 -1.702 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.029 -11.862 -1.612 1.00 0.00 C ATOM 0 H LEU A 56 -6.004 -13.862 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.287 -12.354 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.091 -14.991 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.290 -13.730 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.902 -13.874 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.658 -12.875 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.658 -14.355 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.596 -12.760 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.659 -11.434 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.676 -11.264 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.119 -11.865 -1.602 1.00 0.00 H new ATOM 904 N SER A 57 -6.554 -15.299 -4.483 1.00 0.00 N ATOM 905 CA SER A 57 -7.055 -16.157 -5.551 1.00 0.00 C ATOM 906 C SER A 57 -8.165 -15.461 -6.332 1.00 0.00 C ATOM 907 O SER A 57 -8.469 -15.837 -7.464 1.00 0.00 O ATOM 908 CB SER A 57 -7.571 -17.476 -4.974 1.00 0.00 C ATOM 909 OG SER A 57 -8.342 -18.184 -5.929 1.00 0.00 O ATOM 0 H SER A 57 -6.791 -15.614 -3.542 1.00 0.00 H new ATOM 0 HA SER A 57 -6.231 -16.365 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.729 -18.090 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.176 -17.278 -4.089 1.00 0.00 H new ATOM 0 HG SER A 57 -8.659 -19.024 -5.536 1.00 0.00 H new ATOM 915 N ASP A 58 -8.766 -14.447 -5.721 1.00 0.00 N ATOM 916 CA ASP A 58 -9.843 -13.699 -6.360 1.00 0.00 C ATOM 917 C ASP A 58 -9.308 -12.828 -7.494 1.00 0.00 C ATOM 918 O ASP A 58 -10.077 -12.233 -8.248 1.00 0.00 O ATOM 919 CB ASP A 58 -10.566 -12.826 -5.333 1.00 0.00 C ATOM 920 CG ASP A 58 -11.355 -13.646 -4.331 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.446 -14.878 -4.513 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.879 -13.056 -3.363 1.00 0.00 O ATOM 0 H ASP A 58 -8.526 -14.123 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.547 -14.417 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.837 -12.213 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.240 -12.143 -5.851 1.00 0.00 H new ATOM 927 N TYR A 59 -7.985 -12.757 -7.609 1.00 0.00 N ATOM 928 CA TYR A 59 -7.352 -11.957 -8.650 1.00 0.00 C ATOM 929 C TYR A 59 -6.506 -12.830 -9.572 1.00 0.00 C ATOM 930 O TYR A 59 -5.536 -12.362 -10.169 1.00 0.00 O ATOM 931 CB TYR A 59 -6.483 -10.865 -8.025 1.00 0.00 C ATOM 932 CG TYR A 59 -7.270 -9.669 -7.536 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.953 -8.848 -8.431 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.331 -9.360 -6.178 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.675 -7.751 -7.987 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.051 -8.265 -5.726 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.721 -7.465 -6.634 1.00 0.00 C ATOM 938 OH TYR A 59 -9.438 -6.378 -6.189 1.00 0.00 O ATOM 0 H TYR A 59 -7.332 -13.243 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.139 -11.492 -9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.927 -11.289 -7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.750 -10.531 -8.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.919 -9.070 -9.487 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.809 -9.983 -5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.198 -7.123 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.089 -8.038 -4.671 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.925 -5.559 -6.351 1.00 0.00 H new ATOM 948 N ASN A 60 -6.881 -14.100 -9.684 1.00 0.00 N ATOM 949 CA ASN A 60 -6.157 -15.037 -10.534 1.00 0.00 C ATOM 950 C ASN A 60 -4.658 -14.982 -10.253 1.00 0.00 C ATOM 951 O ASN A 60 -3.841 -15.237 -11.137 1.00 0.00 O ATOM 952 CB ASN A 60 -6.423 -14.731 -12.010 1.00 0.00 C ATOM 953 CG ASN A 60 -5.624 -13.544 -12.508 1.00 0.00 C ATOM 954 OD1 ASN A 60 -4.420 -13.646 -12.745 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.293 -12.407 -12.672 1.00 0.00 N ATOM 0 H ASN A 60 -7.681 -14.503 -9.197 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.514 -16.042 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.178 -15.608 -12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.486 -14.535 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.809 -11.574 -13.007 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.291 -12.368 -12.463 1.00 0.00 H new ATOM 962 N LEU A 61 -4.305 -14.648 -9.015 1.00 0.00 N ATOM 963 CA LEU A 61 -2.905 -14.559 -8.617 1.00 0.00 C ATOM 964 C LEU A 61 -2.144 -15.817 -9.024 1.00 0.00 C ATOM 965 O LEU A 61 -2.608 -16.935 -8.799 1.00 0.00 O ATOM 966 CB LEU A 61 -2.794 -14.348 -7.106 1.00 0.00 C ATOM 967 CG LEU A 61 -2.770 -12.886 -6.656 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.338 -12.383 -6.554 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.575 -12.021 -7.614 1.00 0.00 C ATOM 0 H LEU A 61 -4.969 -14.435 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.461 -13.705 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.633 -14.847 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.886 -14.836 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.227 -12.821 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.340 -11.341 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.792 -12.985 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.855 -12.461 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.547 -10.984 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.147 -12.091 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.608 -12.368 -7.636 1.00 0.00 H new ATOM 981 N GLN A 62 -0.974 -15.627 -9.624 1.00 0.00 N ATOM 982 CA GLN A 62 -0.148 -16.745 -10.063 1.00 0.00 C ATOM 983 C GLN A 62 1.104 -16.870 -9.201 1.00 0.00 C ATOM 984 O GLN A 62 1.246 -16.182 -8.190 1.00 0.00 O ATOM 985 CB GLN A 62 0.245 -16.570 -11.531 1.00 0.00 C ATOM 986 CG GLN A 62 -0.809 -15.858 -12.362 1.00 0.00 C ATOM 987 CD GLN A 62 -0.956 -16.453 -13.748 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.213 -16.107 -14.667 1.00 0.00 O ATOM 989 NE2 GLN A 62 -1.919 -17.354 -13.908 1.00 0.00 N ATOM 0 H GLN A 62 -0.576 -14.708 -9.818 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.732 -17.659 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.178 -16.009 -11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.438 -17.551 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.768 -15.907 -11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.547 -14.804 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.512 -17.612 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.065 -17.788 -14.819 1.00 0.00 H new ATOM 998 N LYS A 63 2.009 -17.755 -9.608 1.00 0.00 N ATOM 999 CA LYS A 63 3.250 -17.971 -8.874 1.00 0.00 C ATOM 1000 C LYS A 63 4.334 -17.004 -9.339 1.00 0.00 C ATOM 1001 O LYS A 63 4.740 -17.024 -10.501 1.00 0.00 O ATOM 1002 CB LYS A 63 3.726 -19.414 -9.052 1.00 0.00 C ATOM 1003 CG LYS A 63 5.164 -19.640 -8.613 1.00 0.00 C ATOM 1004 CD LYS A 63 5.313 -20.943 -7.845 1.00 0.00 C ATOM 1005 CE LYS A 63 5.531 -22.120 -8.782 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.978 -22.380 -9.019 1.00 0.00 N ATOM 0 H LYS A 63 1.906 -18.334 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 63 3.055 -17.787 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.073 -20.076 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.627 -19.693 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.814 -19.655 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.490 -18.809 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.153 -20.866 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.421 -21.116 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.066 -23.011 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.037 -21.923 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.084 -23.190 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.417 -21.539 -9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.445 -22.593 -8.115 1.00 0.00 H new ATOM 1020 N GLU A 64 4.797 -16.159 -8.424 1.00 0.00 N ATOM 1021 CA GLU A 64 5.835 -15.183 -8.740 1.00 0.00 C ATOM 1022 C GLU A 64 5.246 -13.979 -9.468 1.00 0.00 C ATOM 1023 O GLU A 64 5.799 -13.511 -10.463 1.00 0.00 O ATOM 1024 CB GLU A 64 6.926 -15.828 -9.599 1.00 0.00 C ATOM 1025 CG GLU A 64 7.263 -17.251 -9.185 1.00 0.00 C ATOM 1026 CD GLU A 64 8.660 -17.664 -9.604 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.483 -16.768 -9.890 1.00 0.00 O ATOM 1028 OE2 GLU A 64 8.932 -18.882 -9.647 1.00 0.00 O ATOM 0 H GLU A 64 4.471 -16.130 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 64 6.274 -14.840 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.605 -15.828 -10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.828 -15.219 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.170 -17.342 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.538 -17.935 -9.626 1.00 0.00 H new ATOM 1035 N SER A 65 4.121 -13.480 -8.963 1.00 0.00 N ATOM 1036 CA SER A 65 3.459 -12.328 -9.565 1.00 0.00 C ATOM 1037 C SER A 65 4.175 -11.034 -9.192 1.00 0.00 C ATOM 1038 O SER A 65 4.833 -10.955 -8.156 1.00 0.00 O ATOM 1039 CB SER A 65 1.997 -12.264 -9.121 1.00 0.00 C ATOM 1040 OG SER A 65 1.302 -13.447 -9.477 1.00 0.00 O ATOM 0 H SER A 65 3.650 -13.855 -8.140 1.00 0.00 H new ATOM 0 HA SER A 65 3.496 -12.443 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.948 -12.121 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.512 -11.402 -9.579 1.00 0.00 H new ATOM 0 HG SER A 65 1.515 -14.157 -8.836 1.00 0.00 H new ATOM 1046 N THR A 66 4.040 -10.023 -10.043 1.00 0.00 N ATOM 1047 CA THR A 66 4.674 -8.731 -9.801 1.00 0.00 C ATOM 1048 C THR A 66 3.629 -7.652 -9.537 1.00 0.00 C ATOM 1049 O THR A 66 3.063 -7.082 -10.469 1.00 0.00 O ATOM 1050 CB THR A 66 5.543 -8.336 -10.995 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.458 -9.369 -11.314 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.342 -7.072 -10.761 1.00 0.00 C ATOM 0 H THR A 66 3.498 -10.072 -10.906 1.00 0.00 H new ATOM 0 HA THR A 66 5.304 -8.823 -8.916 1.00 0.00 H new ATOM 0 HB THR A 66 4.845 -8.160 -11.814 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.003 -9.097 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.937 -6.848 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.662 -6.244 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.003 -7.213 -9.906 1.00 0.00 H new ATOM 1060 N ILE A 67 3.379 -7.376 -8.261 1.00 0.00 N ATOM 1061 CA ILE A 67 2.404 -6.365 -7.875 1.00 0.00 C ATOM 1062 C ILE A 67 3.086 -5.041 -7.546 1.00 0.00 C ATOM 1063 O ILE A 67 4.190 -5.018 -7.004 1.00 0.00 O ATOM 1064 CB ILE A 67 1.575 -6.818 -6.658 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.023 -8.226 -6.882 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.444 -5.835 -6.392 1.00 0.00 C ATOM 1067 CD1 ILE A 67 0.836 -9.014 -5.604 1.00 0.00 C ATOM 0 H ILE A 67 3.839 -7.839 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 67 1.739 -6.227 -8.727 1.00 0.00 H new ATOM 0 HB ILE A 67 2.225 -6.840 -5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.066 -8.154 -7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.699 -8.772 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.133 -6.169 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.860 -4.848 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.206 -5.784 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.442 -10.002 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.795 -9.118 -5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.136 -8.490 -4.953 1.00 0.00 H new ATOM 1079 N HIS A 68 2.420 -3.939 -7.878 1.00 0.00 N ATOM 1080 CA HIS A 68 2.962 -2.610 -7.617 1.00 0.00 C ATOM 1081 C HIS A 68 2.310 -1.990 -6.386 1.00 0.00 C ATOM 1082 O HIS A 68 1.116 -1.694 -6.385 1.00 0.00 O ATOM 1083 CB HIS A 68 2.750 -1.704 -8.832 1.00 0.00 C ATOM 1084 CG HIS A 68 3.469 -2.170 -10.059 1.00 0.00 C ATOM 1085 ND1 HIS A 68 4.021 -1.307 -10.983 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.727 -3.420 -10.513 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.587 -2.005 -11.951 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.423 -3.289 -11.690 1.00 0.00 N ATOM 0 H HIS A 68 1.505 -3.940 -8.328 1.00 0.00 H new ATOM 0 HA HIS A 68 4.031 -2.710 -7.428 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.683 -1.643 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.084 -0.696 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.439 -4.346 -10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.097 -1.595 -12.810 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.759 -4.059 -12.269 1.00 0.00 H new ATOM 1097 N LEU A 69 3.104 -1.798 -5.336 1.00 0.00 N ATOM 1098 CA LEU A 69 2.604 -1.213 -4.097 1.00 0.00 C ATOM 1099 C LEU A 69 2.810 0.296 -4.085 1.00 0.00 C ATOM 1100 O LEU A 69 3.942 0.780 -4.113 1.00 0.00 O ATOM 1101 CB LEU A 69 3.300 -1.846 -2.891 1.00 0.00 C ATOM 1102 CG LEU A 69 2.936 -1.229 -1.539 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.748 -1.953 -0.926 1.00 0.00 C ATOM 1104 CD2 LEU A 69 4.131 -1.264 -0.599 1.00 0.00 C ATOM 0 H LEU A 69 4.095 -2.039 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 69 1.535 -1.415 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.057 -2.908 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.378 -1.769 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 69 2.656 -0.188 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.503 -1.501 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.890 -1.874 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.998 -3.004 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.854 -0.821 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.442 -2.297 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.954 -0.699 -1.036 1.00 0.00 H new ATOM 1116 N VAL A 70 1.708 1.034 -4.040 1.00 0.00 N ATOM 1117 CA VAL A 70 1.762 2.488 -4.021 1.00 0.00 C ATOM 1118 C VAL A 70 0.990 3.050 -2.834 1.00 0.00 C ATOM 1119 O VAL A 70 0.007 2.462 -2.383 1.00 0.00 O ATOM 1120 CB VAL A 70 1.191 3.092 -5.319 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.316 3.537 -6.242 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.278 2.098 -6.019 1.00 0.00 C ATOM 0 H VAL A 70 0.764 0.647 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 70 2.813 2.762 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 70 0.598 3.969 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.893 3.961 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.923 4.290 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.939 2.679 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.114 2.545 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.842 1.199 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.549 1.837 -5.359 1.00 0.00 H new ATOM 1132 N LEU A 71 1.443 4.191 -2.330 1.00 0.00 N ATOM 1133 CA LEU A 71 0.793 4.835 -1.194 1.00 0.00 C ATOM 1134 C LEU A 71 -0.465 5.574 -1.638 1.00 0.00 C ATOM 1135 O LEU A 71 -0.596 5.950 -2.803 1.00 0.00 O ATOM 1136 CB LEU A 71 1.756 5.807 -0.510 1.00 0.00 C ATOM 1137 CG LEU A 71 2.156 5.422 0.916 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.241 4.356 0.895 1.00 0.00 C ATOM 1139 CD2 LEU A 71 2.623 6.647 1.688 1.00 0.00 C ATOM 0 H LEU A 71 2.257 4.690 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 71 0.507 4.060 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.659 5.888 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.297 6.795 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 71 1.282 5.012 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.514 4.094 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.870 3.470 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.118 4.739 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.903 6.354 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.484 7.087 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.816 7.379 1.732 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.387 5.779 -0.705 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.635 6.473 -1.003 1.00 0.00 C ATOM 1153 C ARG A 72 -2.441 7.985 -0.968 1.00 0.00 C ATOM 1154 O ARG A 72 -1.627 8.500 -0.201 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.721 6.064 -0.006 1.00 0.00 C ATOM 1156 CG ARG A 72 -5.027 5.651 -0.667 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.960 4.971 0.322 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.231 3.585 -0.046 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.249 2.880 0.437 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -8.089 3.432 1.303 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -7.428 1.623 0.054 1.00 0.00 N ATOM 0 H ARG A 72 -1.295 5.475 0.264 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.947 6.189 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.353 5.237 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.913 6.896 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.517 6.529 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.819 4.975 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.518 5.002 1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.899 5.523 0.373 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.604 3.132 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.954 4.399 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.870 2.890 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.784 1.196 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.210 1.083 0.425 1.00 0.00 H new ATOM 1175 N LEU A 73 -3.196 8.692 -1.804 1.00 0.00 N ATOM 1176 CA LEU A 73 -3.110 10.145 -1.868 1.00 0.00 C ATOM 1177 C LEU A 73 -3.966 10.790 -0.784 1.00 0.00 C ATOM 1178 O LEU A 73 -5.012 10.260 -0.408 1.00 0.00 O ATOM 1179 CB LEU A 73 -3.553 10.643 -3.245 1.00 0.00 C ATOM 1180 CG LEU A 73 -2.872 9.959 -4.433 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -3.204 10.685 -5.727 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -1.367 9.899 -4.222 1.00 0.00 C ATOM 0 H LEU A 73 -3.874 8.281 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.071 10.429 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.630 10.505 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.363 11.715 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.248 8.939 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.712 10.185 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.283 10.675 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.856 11.716 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.899 9.410 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.973 10.910 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.149 9.334 -3.316 1.00 0.00 H new ATOM 1194 N ARG A 74 -3.517 11.936 -0.284 1.00 0.00 N ATOM 1195 CA ARG A 74 -4.242 12.654 0.757 1.00 0.00 C ATOM 1196 C ARG A 74 -4.819 13.958 0.216 1.00 0.00 C ATOM 1197 O ARG A 74 -5.235 14.829 0.980 1.00 0.00 O ATOM 1198 CB ARG A 74 -3.319 12.943 1.942 1.00 0.00 C ATOM 1199 CG ARG A 74 -3.940 12.623 3.291 1.00 0.00 C ATOM 1200 CD ARG A 74 -2.915 12.713 4.410 1.00 0.00 C ATOM 1201 NE ARG A 74 -3.438 12.204 5.675 1.00 0.00 N ATOM 1202 CZ ARG A 74 -4.194 12.919 6.500 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -4.518 14.167 6.192 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -4.629 12.385 7.634 1.00 0.00 N ATOM 0 H ARG A 74 -2.653 12.388 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.066 12.025 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.403 12.364 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.036 13.995 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.759 13.315 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.368 11.621 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.025 12.148 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.607 13.751 4.537 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.210 11.246 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.187 14.580 5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.099 14.715 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.383 11.424 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.210 12.935 8.267 1.00 0.00 H new ATOM 1218 N GLY A 75 -4.839 14.084 -1.106 1.00 0.00 N ATOM 1219 CA GLY A 75 -5.366 15.284 -1.728 1.00 0.00 C ATOM 1220 C GLY A 75 -4.556 15.713 -2.935 1.00 0.00 C ATOM 1221 O GLY A 75 -3.854 14.901 -3.540 1.00 0.00 O ATOM 0 H GLY A 75 -4.500 13.377 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.399 15.110 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.380 16.093 -0.997 1.00 0.00 H new ATOM 1225 N GLY A 76 -4.650 16.990 -3.286 1.00 0.00 N ATOM 1226 CA GLY A 76 -3.913 17.501 -4.427 1.00 0.00 C ATOM 1227 C GLY A 76 -4.315 16.832 -5.726 1.00 0.00 C ATOM 1228 O GLY A 76 -4.178 15.594 -5.824 1.00 0.00 O ATOM 1229 OXT GLY A 76 -4.770 17.545 -6.646 1.00 0.00 O ATOM 0 H GLY A 76 -5.223 17.681 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.077 18.575 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.846 17.354 -4.261 1.00 0.00 H new TER 1233 GLY A 76