USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 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 43 ASN : amide:sc= 0.338 K(o=1.4,f=-1.6) USER MOD Set 1.2: A 76 ASN : amide:sc= 1.07 K(o=1.4,f=-0.58) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.16 USER MOD Set 2.2: A 54 MET CE :methyl 180:sc= -0.0703 (180deg=-0.0703) USER MOD Set 2.3: A 55 CYS SG : rot 18:sc= 0.161 USER MOD Single : A 2 MET CE :methyl 140:sc= -1.02 (180deg=-3!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -118:sc= 0.54 (180deg=0.122) USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.817) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000603) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 116:sc= 0.00665 USER MOD Single : A 34 TYR OH : rot 0:sc= -0.116 USER MOD Single : A 37 GLN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 42 ASN : amide:sc= -1.37! C(o=-1.4!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 179:sc= -0.121 (180deg=-0.124) USER MOD Single : A 49 THR OG1 : rot 125:sc= 1.28 USER MOD Single : A 50 MET CE :methyl 177:sc= -1.32 (180deg=-1.36) USER MOD Single : A 51 THR OG1 : rot 69:sc= 1.3 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.083) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 75:sc= 0.195 USER MOD Single : A 93 MET CE :methyl -173:sc= -0.0363 (180deg=-0.085) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 21.160 -5.964 -14.451 1.00 0.00 N ATOM 2 CA MET A 2 22.328 -5.468 -13.712 1.00 0.00 C ATOM 3 C MET A 2 21.872 -4.351 -12.786 1.00 0.00 C ATOM 4 O MET A 2 21.171 -4.650 -11.822 1.00 0.00 O ATOM 5 CB MET A 2 23.478 -5.061 -14.652 1.00 0.00 C ATOM 6 CG MET A 2 24.258 -6.274 -15.165 1.00 0.00 C ATOM 7 SD MET A 2 25.454 -6.988 -14.002 1.00 0.00 S ATOM 8 CE MET A 2 24.435 -8.185 -13.096 1.00 0.00 C ATOM 0 HA MET A 2 22.749 -6.267 -13.102 1.00 0.00 H new ATOM 0 HB2 MET A 2 23.075 -4.505 -15.499 1.00 0.00 H new ATOM 0 HB3 MET A 2 24.157 -4.390 -14.125 1.00 0.00 H new ATOM 0 HG2 MET A 2 23.545 -7.049 -15.446 1.00 0.00 H new ATOM 0 HG3 MET A 2 24.789 -5.985 -16.072 1.00 0.00 H new ATOM 0 HE1 MET A 2 25.009 -9.096 -12.926 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.138 -7.759 -12.138 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.545 -8.421 -13.680 1.00 0.00 H new ATOM 18 N SER A 3 22.161 -3.076 -13.060 1.00 0.00 N ATOM 19 CA SER A 3 21.754 -2.010 -12.169 1.00 0.00 C ATOM 20 C SER A 3 20.318 -1.641 -12.519 1.00 0.00 C ATOM 21 O SER A 3 20.010 -1.377 -13.685 1.00 0.00 O ATOM 22 CB SER A 3 22.718 -0.826 -12.258 1.00 0.00 C ATOM 23 OG SER A 3 22.803 -0.160 -11.018 1.00 0.00 O ATOM 0 H SER A 3 22.672 -2.768 -13.888 1.00 0.00 H new ATOM 0 HA SER A 3 21.790 -2.333 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.706 -1.176 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.380 -0.132 -13.027 1.00 0.00 H new ATOM 0 HG SER A 3 23.425 0.593 -11.093 1.00 0.00 H new ATOM 29 N LYS A 4 19.442 -1.621 -11.519 1.00 0.00 N ATOM 30 CA LYS A 4 18.164 -0.919 -11.566 1.00 0.00 C ATOM 31 C LYS A 4 18.069 -0.088 -10.304 1.00 0.00 C ATOM 32 O LYS A 4 18.687 -0.430 -9.293 1.00 0.00 O ATOM 33 CB LYS A 4 16.969 -1.887 -11.601 1.00 0.00 C ATOM 34 CG LYS A 4 16.748 -2.587 -12.943 1.00 0.00 C ATOM 35 CD LYS A 4 17.436 -3.953 -13.025 1.00 0.00 C ATOM 36 CE LYS A 4 17.125 -4.648 -14.354 1.00 0.00 C ATOM 37 NZ LYS A 4 15.685 -4.913 -14.552 1.00 0.00 N ATOM 0 H LYS A 4 19.604 -2.103 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 4 18.125 -0.315 -12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.111 -2.645 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 16.065 -1.335 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.678 -2.715 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.121 -1.950 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.514 -3.828 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 4 17.106 -4.580 -12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.489 -4.029 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.670 -5.591 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.527 -5.938 -14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.148 -4.536 -13.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.364 -4.451 -15.427 1.00 0.00 H new ATOM 51 N LYS A 5 17.194 0.914 -10.313 1.00 0.00 N ATOM 52 CA LYS A 5 16.675 1.478 -9.081 1.00 0.00 C ATOM 53 C LYS A 5 15.166 1.504 -9.146 1.00 0.00 C ATOM 54 O LYS A 5 14.566 1.551 -10.218 1.00 0.00 O ATOM 55 CB LYS A 5 17.296 2.855 -8.773 1.00 0.00 C ATOM 56 CG LYS A 5 18.479 2.714 -7.783 1.00 0.00 C ATOM 57 CD LYS A 5 18.390 3.561 -6.505 1.00 0.00 C ATOM 58 CE LYS A 5 17.022 3.426 -5.817 1.00 0.00 C ATOM 59 NZ LYS A 5 16.958 4.068 -4.492 1.00 0.00 N ATOM 0 H LYS A 5 16.833 1.349 -11.162 1.00 0.00 H new ATOM 0 HA LYS A 5 16.964 0.846 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.642 3.318 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.538 3.515 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.564 1.666 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.398 2.977 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.175 3.256 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.570 4.608 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.258 3.863 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.782 2.368 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.987 4.393 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.236 3.383 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.605 4.882 -4.469 1.00 0.00 H new ATOM 73 N VAL A 6 14.576 1.447 -7.969 1.00 0.00 N ATOM 74 CA VAL A 6 13.164 1.580 -7.723 1.00 0.00 C ATOM 75 C VAL A 6 12.989 2.779 -6.788 1.00 0.00 C ATOM 76 O VAL A 6 13.895 3.169 -6.040 1.00 0.00 O ATOM 77 CB VAL A 6 12.639 0.238 -7.181 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.131 0.314 -6.944 1.00 0.00 C ATOM 79 CG2 VAL A 6 12.943 -0.888 -8.186 1.00 0.00 C ATOM 0 H VAL A 6 15.106 1.297 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 6 12.572 1.784 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 6 13.138 0.027 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.774 -0.642 -6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.916 1.099 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.626 0.540 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.569 -1.835 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.456 -0.669 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.020 -0.959 -8.338 1.00 0.00 H new ATOM 89 N THR A 7 11.829 3.412 -6.881 1.00 0.00 N ATOM 90 CA THR A 7 11.541 4.728 -6.341 1.00 0.00 C ATOM 91 C THR A 7 10.133 4.690 -5.762 1.00 0.00 C ATOM 92 O THR A 7 9.355 3.773 -6.031 1.00 0.00 O ATOM 93 CB THR A 7 11.645 5.743 -7.496 1.00 0.00 C ATOM 94 OG1 THR A 7 10.769 5.344 -8.536 1.00 0.00 O ATOM 95 CG2 THR A 7 13.069 5.867 -8.036 1.00 0.00 C ATOM 0 H THR A 7 11.027 3.001 -7.358 1.00 0.00 H new ATOM 0 HA THR A 7 12.239 5.017 -5.555 1.00 0.00 H new ATOM 0 HB THR A 7 11.364 6.723 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.826 5.984 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.088 6.594 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.733 6.197 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.403 4.898 -8.408 1.00 0.00 H new ATOM 103 N LYS A 8 9.764 5.703 -4.982 1.00 0.00 N ATOM 104 CA LYS A 8 8.450 5.772 -4.357 1.00 0.00 C ATOM 105 C LYS A 8 7.335 5.748 -5.396 1.00 0.00 C ATOM 106 O LYS A 8 6.270 5.194 -5.145 1.00 0.00 O ATOM 107 CB LYS A 8 8.382 7.015 -3.457 1.00 0.00 C ATOM 108 CG LYS A 8 9.177 8.231 -3.957 1.00 0.00 C ATOM 109 CD LYS A 8 8.732 9.566 -3.357 1.00 0.00 C ATOM 110 CE LYS A 8 8.622 9.543 -1.829 1.00 0.00 C ATOM 111 NZ LYS A 8 8.748 10.898 -1.261 1.00 0.00 N ATOM 0 H LYS A 8 10.368 6.497 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 8 8.301 4.889 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.337 7.306 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.746 6.746 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.232 8.078 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.089 8.287 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.440 10.341 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.765 9.841 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.664 9.112 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.399 8.900 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.669 10.849 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.672 11.298 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.991 11.504 -1.637 1.00 0.00 H new ATOM 125 N GLU A 9 7.602 6.327 -6.560 1.00 0.00 N ATOM 126 CA GLU A 9 6.679 6.466 -7.669 1.00 0.00 C ATOM 127 C GLU A 9 6.448 5.131 -8.379 1.00 0.00 C ATOM 128 O GLU A 9 5.320 4.835 -8.780 1.00 0.00 O ATOM 129 CB GLU A 9 7.310 7.508 -8.586 1.00 0.00 C ATOM 130 CG GLU A 9 6.374 7.962 -9.705 1.00 0.00 C ATOM 131 CD GLU A 9 6.981 9.106 -10.513 1.00 0.00 C ATOM 132 OE1 GLU A 9 6.746 9.185 -11.740 1.00 0.00 O ATOM 133 OE2 GLU A 9 7.661 9.982 -9.932 1.00 0.00 O ATOM 0 H GLU A 9 8.516 6.732 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 9 5.689 6.780 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.606 8.374 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.219 7.096 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.161 7.122 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.423 8.281 -9.278 1.00 0.00 H new ATOM 141 N ASP A 10 7.491 4.303 -8.465 1.00 0.00 N ATOM 142 CA ASP A 10 7.415 2.940 -8.993 1.00 0.00 C ATOM 143 C ASP A 10 6.605 2.110 -8.021 1.00 0.00 C ATOM 144 O ASP A 10 5.684 1.406 -8.408 1.00 0.00 O ATOM 145 CB ASP A 10 8.808 2.296 -9.124 1.00 0.00 C ATOM 146 CG ASP A 10 9.341 2.124 -10.544 1.00 0.00 C ATOM 147 OD1 ASP A 10 10.418 1.503 -10.678 1.00 0.00 O ATOM 148 OD2 ASP A 10 8.726 2.629 -11.511 1.00 0.00 O ATOM 0 H ASP A 10 8.429 4.566 -8.164 1.00 0.00 H new ATOM 0 HA ASP A 10 6.961 2.978 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.519 2.901 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.778 1.316 -8.648 1.00 0.00 H new ATOM 154 N VAL A 11 6.932 2.201 -6.734 1.00 0.00 N ATOM 155 CA VAL A 11 6.235 1.455 -5.693 1.00 0.00 C ATOM 156 C VAL A 11 4.743 1.819 -5.662 1.00 0.00 C ATOM 157 O VAL A 11 3.921 0.960 -5.363 1.00 0.00 O ATOM 158 CB VAL A 11 6.975 1.670 -4.359 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.361 0.948 -3.150 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.428 1.161 -4.427 1.00 0.00 C ATOM 0 H VAL A 11 7.686 2.793 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 11 6.251 0.385 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 11 6.903 2.748 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.953 1.161 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.339 1.296 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.355 -0.127 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.918 1.330 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.430 0.095 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.966 1.698 -5.208 1.00 0.00 H new ATOM 170 N LEU A 12 4.361 3.049 -6.019 1.00 0.00 N ATOM 171 CA LEU A 12 2.969 3.448 -6.130 1.00 0.00 C ATOM 172 C LEU A 12 2.359 2.751 -7.336 1.00 0.00 C ATOM 173 O LEU A 12 1.386 2.022 -7.188 1.00 0.00 O ATOM 174 CB LEU A 12 2.868 4.972 -6.268 1.00 0.00 C ATOM 175 CG LEU A 12 3.066 5.705 -4.937 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.383 7.186 -5.160 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.832 5.595 -4.037 1.00 0.00 C ATOM 0 H LEU A 12 5.020 3.796 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 12 2.422 3.158 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.615 5.318 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.892 5.231 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 12 3.909 5.222 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.518 7.678 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.298 7.278 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.560 7.658 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.014 6.128 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.972 6.033 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.631 4.546 -3.822 1.00 0.00 H new ATOM 189 N ASN A 13 2.960 2.920 -8.512 1.00 0.00 N ATOM 190 CA ASN A 13 2.512 2.332 -9.756 1.00 0.00 C ATOM 191 C ASN A 13 2.364 0.817 -9.643 1.00 0.00 C ATOM 192 O ASN A 13 1.411 0.246 -10.181 1.00 0.00 O ATOM 193 CB ASN A 13 3.591 2.656 -10.805 1.00 0.00 C ATOM 194 CG ASN A 13 3.289 3.885 -11.641 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.295 3.915 -12.365 1.00 0.00 O ATOM 196 ND2 ASN A 13 4.099 4.925 -11.535 1.00 0.00 N ATOM 0 H ASN A 13 3.799 3.490 -8.620 1.00 0.00 H new ATOM 0 HA ASN A 13 1.535 2.734 -10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.545 2.800 -10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.708 1.798 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.906 5.778 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.917 4.875 -10.928 1.00 0.00 H new ATOM 203 N ALA A 14 3.280 0.163 -8.929 1.00 0.00 N ATOM 204 CA ALA A 14 3.291 -1.274 -8.795 1.00 0.00 C ATOM 205 C ALA A 14 2.119 -1.683 -7.928 1.00 0.00 C ATOM 206 O ALA A 14 1.474 -2.675 -8.257 1.00 0.00 O ATOM 207 CB ALA A 14 4.607 -1.714 -8.164 1.00 0.00 C ATOM 0 H ALA A 14 4.036 0.629 -8.428 1.00 0.00 H new ATOM 0 HA ALA A 14 3.202 -1.751 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.617 -2.799 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.437 -1.402 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.710 -1.256 -7.180 1.00 0.00 H new ATOM 213 N LEU A 15 1.847 -0.931 -6.851 1.00 0.00 N ATOM 214 CA LEU A 15 0.786 -1.186 -5.879 1.00 0.00 C ATOM 215 C LEU A 15 -0.622 -0.945 -6.423 1.00 0.00 C ATOM 216 O LEU A 15 -1.586 -1.487 -5.890 1.00 0.00 O ATOM 217 CB LEU A 15 0.963 -0.314 -4.628 1.00 0.00 C ATOM 218 CG LEU A 15 1.951 -0.857 -3.583 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.073 0.189 -2.466 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.518 -2.215 -3.015 1.00 0.00 C ATOM 0 H LEU A 15 2.386 -0.094 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 15 0.880 -2.245 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.297 0.676 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.010 -0.188 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 15 2.916 -1.028 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.769 -0.168 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.441 1.126 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.095 0.353 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.250 -2.553 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.544 -2.115 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.451 -2.943 -3.823 1.00 0.00 H new ATOM 232 N LYS A 16 -0.769 -0.159 -7.493 1.00 0.00 N ATOM 233 CA LYS A 16 -2.059 0.166 -8.120 1.00 0.00 C ATOM 234 C LYS A 16 -2.767 -1.056 -8.734 1.00 0.00 C ATOM 235 O LYS A 16 -3.737 -0.884 -9.475 1.00 0.00 O ATOM 236 CB LYS A 16 -1.816 1.286 -9.156 1.00 0.00 C ATOM 237 CG LYS A 16 -1.634 2.633 -8.446 1.00 0.00 C ATOM 238 CD LYS A 16 -1.275 3.807 -9.363 1.00 0.00 C ATOM 239 CE LYS A 16 -1.785 5.120 -8.756 1.00 0.00 C ATOM 240 NZ LYS A 16 -3.233 5.323 -8.979 1.00 0.00 N ATOM 0 H LYS A 16 0.023 0.281 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.748 0.513 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.931 1.057 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.657 1.341 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.555 2.874 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.852 2.527 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.195 3.855 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.715 3.657 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.582 5.124 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.234 5.955 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.524 6.231 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.429 5.329 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.765 4.551 -8.529 1.00 0.00 H new ATOM 254 N ASN A 17 -2.272 -2.273 -8.501 1.00 0.00 N ATOM 255 CA ASN A 17 -2.704 -3.526 -9.112 1.00 0.00 C ATOM 256 C ASN A 17 -3.119 -4.549 -8.048 1.00 0.00 C ATOM 257 O ASN A 17 -3.532 -5.651 -8.411 1.00 0.00 O ATOM 258 CB ASN A 17 -1.555 -4.105 -9.954 1.00 0.00 C ATOM 259 CG ASN A 17 -1.313 -3.394 -11.273 1.00 0.00 C ATOM 260 OD1 ASN A 17 -1.882 -3.771 -12.296 1.00 0.00 O ATOM 261 ND2 ASN A 17 -0.423 -2.416 -11.314 1.00 0.00 N ATOM 0 H ASN A 17 -1.510 -2.416 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.568 -3.319 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.638 -4.071 -9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.765 -5.155 -10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.201 -1.965 -12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.042 -2.113 -10.458 1.00 0.00 H new ATOM 268 N VAL A 18 -2.982 -4.236 -6.760 1.00 0.00 N ATOM 269 CA VAL A 18 -3.280 -5.105 -5.630 1.00 0.00 C ATOM 270 C VAL A 18 -4.623 -4.623 -5.123 1.00 0.00 C ATOM 271 O VAL A 18 -4.768 -3.437 -4.829 1.00 0.00 O ATOM 272 CB VAL A 18 -2.129 -5.023 -4.596 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.576 -5.113 -3.137 1.00 0.00 C ATOM 274 CG2 VAL A 18 -1.152 -6.183 -4.835 1.00 0.00 C ATOM 0 H VAL A 18 -2.642 -3.321 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.346 -6.164 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.678 -4.042 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.705 -5.047 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.259 -4.293 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.083 -6.063 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.340 -6.130 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.678 -7.131 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.743 -6.113 -5.843 1.00 0.00 H new ATOM 284 N ILE A 19 -5.606 -5.519 -5.083 1.00 0.00 N ATOM 285 CA ILE A 19 -6.973 -5.183 -4.731 1.00 0.00 C ATOM 286 C ILE A 19 -7.270 -5.896 -3.424 1.00 0.00 C ATOM 287 O ILE A 19 -7.131 -7.117 -3.318 1.00 0.00 O ATOM 288 CB ILE A 19 -7.951 -5.623 -5.843 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.589 -5.103 -7.258 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.393 -5.240 -5.483 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.580 -3.572 -7.376 1.00 0.00 C ATOM 0 H ILE A 19 -5.469 -6.507 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.097 -4.106 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.860 -6.708 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.606 -5.484 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.301 -5.509 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.064 -5.560 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.678 -5.729 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.463 -4.159 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.318 -3.287 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.569 -3.183 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.847 -3.158 -6.684 1.00 0.00 H new ATOM 303 N ASP A 20 -7.750 -5.128 -2.457 1.00 0.00 N ATOM 304 CA ASP A 20 -8.240 -5.626 -1.177 1.00 0.00 C ATOM 305 C ASP A 20 -9.426 -6.538 -1.463 1.00 0.00 C ATOM 306 O ASP A 20 -10.466 -6.050 -1.905 1.00 0.00 O ATOM 307 CB ASP A 20 -8.673 -4.475 -0.260 1.00 0.00 C ATOM 308 CG ASP A 20 -7.515 -3.893 0.536 1.00 0.00 C ATOM 309 OD1 ASP A 20 -7.539 -3.917 1.789 1.00 0.00 O ATOM 310 OD2 ASP A 20 -6.599 -3.325 -0.087 1.00 0.00 O ATOM 0 H ASP A 20 -7.812 -4.113 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.445 -6.167 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.127 -3.688 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.439 -4.832 0.428 1.00 0.00 H new ATOM 316 N PHE A 21 -9.277 -7.842 -1.215 1.00 0.00 N ATOM 317 CA PHE A 21 -10.265 -8.886 -1.508 1.00 0.00 C ATOM 318 C PHE A 21 -11.624 -8.626 -0.844 1.00 0.00 C ATOM 319 O PHE A 21 -12.638 -9.199 -1.244 1.00 0.00 O ATOM 320 CB PHE A 21 -9.702 -10.243 -1.032 1.00 0.00 C ATOM 321 CG PHE A 21 -9.540 -11.312 -2.097 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.461 -11.254 -3.000 1.00 0.00 C ATOM 323 CD2 PHE A 21 -10.417 -12.413 -2.136 1.00 0.00 C ATOM 324 CE1 PHE A 21 -8.252 -12.294 -3.922 1.00 0.00 C ATOM 325 CE2 PHE A 21 -10.201 -13.455 -3.058 1.00 0.00 C ATOM 326 CZ PHE A 21 -9.120 -13.398 -3.952 1.00 0.00 C ATOM 0 H PHE A 21 -8.430 -8.215 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.440 -8.889 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.730 -10.068 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.358 -10.632 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.791 -10.407 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.256 -12.458 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.421 -12.244 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.870 -14.302 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.957 -14.198 -4.659 1.00 0.00 H new ATOM 336 N GLU A 22 -11.646 -7.802 0.206 1.00 0.00 N ATOM 337 CA GLU A 22 -12.840 -7.369 0.904 1.00 0.00 C ATOM 338 C GLU A 22 -13.423 -6.138 0.195 1.00 0.00 C ATOM 339 O GLU A 22 -14.509 -6.227 -0.379 1.00 0.00 O ATOM 340 CB GLU A 22 -12.457 -7.145 2.379 1.00 0.00 C ATOM 341 CG GLU A 22 -13.598 -7.489 3.334 1.00 0.00 C ATOM 342 CD GLU A 22 -14.623 -6.373 3.446 1.00 0.00 C ATOM 343 OE1 GLU A 22 -14.390 -5.432 4.243 1.00 0.00 O ATOM 344 OE2 GLU A 22 -15.649 -6.432 2.736 1.00 0.00 O ATOM 0 H GLU A 22 -10.793 -7.407 0.603 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.636 -8.114 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.587 -7.754 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.168 -6.104 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.092 -8.398 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.189 -7.702 4.322 1.00 0.00 H new ATOM 352 N LEU A 23 -12.690 -5.015 0.179 1.00 0.00 N ATOM 353 CA LEU A 23 -13.157 -3.720 -0.327 1.00 0.00 C ATOM 354 C LEU A 23 -13.417 -3.768 -1.833 1.00 0.00 C ATOM 355 O LEU A 23 -14.501 -3.408 -2.286 1.00 0.00 O ATOM 356 CB LEU A 23 -12.130 -2.604 -0.034 1.00 0.00 C ATOM 357 CG LEU A 23 -12.078 -2.047 1.404 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.300 -1.179 1.716 1.00 0.00 C ATOM 359 CD2 LEU A 23 -11.918 -3.124 2.483 1.00 0.00 C ATOM 0 H LEU A 23 -11.732 -4.984 0.527 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.091 -3.500 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.139 -2.984 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.333 -1.773 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.178 -1.433 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.229 -0.804 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.336 -0.339 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.206 -1.775 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.890 -2.653 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.760 -3.815 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.990 -3.671 2.316 1.00 0.00 H new ATOM 371 N GLY A 24 -12.429 -4.185 -2.622 1.00 0.00 N ATOM 372 CA GLY A 24 -12.546 -4.317 -4.065 1.00 0.00 C ATOM 373 C GLY A 24 -11.921 -3.145 -4.812 1.00 0.00 C ATOM 374 O GLY A 24 -12.266 -2.940 -5.975 1.00 0.00 O ATOM 0 H GLY A 24 -11.509 -4.444 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.066 -5.243 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.599 -4.395 -4.335 1.00 0.00 H new ATOM 378 N LEU A 25 -11.024 -2.377 -4.181 1.00 0.00 N ATOM 379 CA LEU A 25 -10.244 -1.299 -4.798 1.00 0.00 C ATOM 380 C LEU A 25 -8.795 -1.398 -4.322 1.00 0.00 C ATOM 381 O LEU A 25 -8.503 -2.261 -3.489 1.00 0.00 O ATOM 382 CB LEU A 25 -10.881 0.068 -4.465 1.00 0.00 C ATOM 383 CG LEU A 25 -11.284 0.902 -5.699 1.00 0.00 C ATOM 384 CD1 LEU A 25 -10.127 1.188 -6.661 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.452 0.258 -6.450 1.00 0.00 C ATOM 0 H LEU A 25 -10.814 -2.494 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.248 -1.397 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.765 -0.097 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.178 0.646 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.600 1.867 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.491 1.778 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.348 1.743 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.718 0.247 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.711 0.870 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.164 -0.738 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.314 0.183 -5.787 1.00 0.00 H new ATOM 397 N ASP A 26 -7.891 -0.564 -4.854 1.00 0.00 N ATOM 398 CA ASP A 26 -6.458 -0.753 -4.679 1.00 0.00 C ATOM 399 C ASP A 26 -5.886 0.158 -3.615 1.00 0.00 C ATOM 400 O ASP A 26 -6.381 1.269 -3.395 1.00 0.00 O ATOM 401 CB ASP A 26 -5.693 -0.517 -5.988 1.00 0.00 C ATOM 402 CG ASP A 26 -5.654 0.948 -6.415 1.00 0.00 C ATOM 403 OD1 ASP A 26 -6.600 1.371 -7.117 1.00 0.00 O ATOM 404 OD2 ASP A 26 -4.655 1.655 -6.153 1.00 0.00 O ATOM 0 H ASP A 26 -8.138 0.253 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.332 -1.789 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.672 -0.881 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.155 -1.106 -6.781 1.00 0.00 H new ATOM 410 N VAL A 27 -4.791 -0.291 -3.004 1.00 0.00 N ATOM 411 CA VAL A 27 -4.101 0.368 -1.932 1.00 0.00 C ATOM 412 C VAL A 27 -3.413 1.703 -2.266 1.00 0.00 C ATOM 413 O VAL A 27 -2.835 2.290 -1.346 1.00 0.00 O ATOM 414 CB VAL A 27 -3.082 -0.581 -1.297 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.657 -1.909 -0.802 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.893 -0.848 -2.212 1.00 0.00 C ATOM 0 H VAL A 27 -4.350 -1.172 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.899 0.635 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.747 -0.039 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.859 -2.512 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.418 -1.717 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.105 -2.446 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.198 -1.526 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.243 -1.300 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.387 0.091 -2.434 1.00 0.00 H new ATOM 426 N VAL A 28 -3.451 2.245 -3.481 1.00 0.00 N ATOM 427 CA VAL A 28 -3.149 3.671 -3.646 1.00 0.00 C ATOM 428 C VAL A 28 -4.466 4.452 -3.614 1.00 0.00 C ATOM 429 O VAL A 28 -4.526 5.539 -3.032 1.00 0.00 O ATOM 430 CB VAL A 28 -2.280 3.914 -4.894 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.877 5.396 -4.984 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.998 3.067 -4.825 1.00 0.00 C ATOM 0 H VAL A 28 -3.679 1.743 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.539 4.041 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.864 3.634 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.263 5.553 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.773 6.013 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.309 5.673 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.393 3.249 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.429 3.340 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.262 2.011 -4.776 1.00 0.00 H new ATOM 442 N SER A 29 -5.541 3.871 -4.139 1.00 0.00 N ATOM 443 CA SER A 29 -6.850 4.526 -4.211 1.00 0.00 C ATOM 444 C SER A 29 -7.577 4.591 -2.869 1.00 0.00 C ATOM 445 O SER A 29 -8.343 5.526 -2.628 1.00 0.00 O ATOM 446 CB SER A 29 -7.748 3.859 -5.242 1.00 0.00 C ATOM 447 OG SER A 29 -7.447 4.389 -6.524 1.00 0.00 O ATOM 0 H SER A 29 -5.532 2.929 -4.529 1.00 0.00 H new ATOM 0 HA SER A 29 -6.640 5.551 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.594 2.780 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.796 4.033 -4.998 1.00 0.00 H new ATOM 0 HG SER A 29 -7.088 3.678 -7.096 1.00 0.00 H new ATOM 453 N LEU A 30 -7.349 3.631 -1.980 1.00 0.00 N ATOM 454 CA LEU A 30 -7.872 3.649 -0.616 1.00 0.00 C ATOM 455 C LEU A 30 -7.046 4.584 0.299 1.00 0.00 C ATOM 456 O LEU A 30 -7.423 4.800 1.447 1.00 0.00 O ATOM 457 CB LEU A 30 -7.976 2.185 -0.116 1.00 0.00 C ATOM 458 CG LEU A 30 -9.418 1.662 0.052 1.00 0.00 C ATOM 459 CD1 LEU A 30 -9.680 0.318 -0.642 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.799 1.524 1.529 1.00 0.00 C ATOM 0 H LEU A 30 -6.787 2.805 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.874 4.077 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.449 1.538 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.461 2.105 0.841 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.038 2.416 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.715 0.019 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.498 0.419 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.013 -0.440 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.821 1.153 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.120 0.824 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.727 2.497 2.016 1.00 0.00 H new ATOM 472 N GLY A 31 -5.954 5.169 -0.214 1.00 0.00 N ATOM 473 CA GLY A 31 -4.982 5.985 0.495 1.00 0.00 C ATOM 474 C GLY A 31 -4.432 5.349 1.775 1.00 0.00 C ATOM 475 O GLY A 31 -4.730 5.843 2.858 1.00 0.00 O ATOM 0 H GLY A 31 -5.719 5.073 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.150 6.201 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.443 6.940 0.748 1.00 0.00 H new ATOM 479 N LEU A 32 -3.619 4.289 1.669 1.00 0.00 N ATOM 480 CA LEU A 32 -3.047 3.555 2.811 1.00 0.00 C ATOM 481 C LEU A 32 -1.527 3.707 2.892 1.00 0.00 C ATOM 482 O LEU A 32 -0.950 3.690 3.975 1.00 0.00 O ATOM 483 CB LEU A 32 -3.347 2.055 2.668 1.00 0.00 C ATOM 484 CG LEU A 32 -4.824 1.647 2.816 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.000 0.237 2.229 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.320 1.716 4.257 1.00 0.00 C ATOM 0 H LEU A 32 -3.333 3.908 0.767 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.499 3.973 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.996 1.726 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.765 1.515 3.415 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.436 2.362 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.042 -0.070 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.719 0.244 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.364 -0.464 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.367 1.417 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.727 1.044 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.220 2.736 4.628 1.00 0.00 H new ATOM 498 N VAL A 33 -0.864 3.803 1.741 1.00 0.00 N ATOM 499 CA VAL A 33 0.576 3.990 1.630 1.00 0.00 C ATOM 500 C VAL A 33 0.914 5.385 2.178 1.00 0.00 C ATOM 501 O VAL A 33 0.363 6.374 1.678 1.00 0.00 O ATOM 502 CB VAL A 33 1.008 3.767 0.161 1.00 0.00 C ATOM 503 CG1 VAL A 33 0.056 4.354 -0.897 1.00 0.00 C ATOM 504 CG2 VAL A 33 2.416 4.304 -0.097 1.00 0.00 C ATOM 0 H VAL A 33 -1.330 3.751 0.835 1.00 0.00 H new ATOM 0 HA VAL A 33 1.135 3.264 2.220 1.00 0.00 H new ATOM 0 HB VAL A 33 0.979 2.684 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.446 4.145 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.930 3.901 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.023 5.432 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.686 4.130 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.441 5.374 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.126 3.791 0.552 1.00 0.00 H new ATOM 514 N TYR A 34 1.821 5.516 3.156 1.00 0.00 N ATOM 515 CA TYR A 34 2.167 6.829 3.717 1.00 0.00 C ATOM 516 C TYR A 34 3.584 7.253 3.302 1.00 0.00 C ATOM 517 O TYR A 34 3.766 7.727 2.176 1.00 0.00 O ATOM 518 CB TYR A 34 1.969 6.797 5.243 1.00 0.00 C ATOM 519 CG TYR A 34 0.568 6.555 5.778 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.582 6.864 5.021 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.429 6.112 7.108 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.856 6.776 5.601 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.843 6.044 7.706 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.986 6.402 6.952 1.00 0.00 C ATOM 525 OH TYR A 34 -3.210 6.440 7.532 1.00 0.00 O ATOM 0 H TYR A 34 2.326 4.734 3.573 1.00 0.00 H new ATOM 0 HA TYR A 34 1.501 7.591 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.619 6.021 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.320 7.748 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.481 7.170 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.304 5.823 7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.735 6.995 5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.946 5.721 8.732 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.873 6.746 6.878 1.00 0.00 H new ATOM 535 N ASP A 35 4.596 7.032 4.150 1.00 0.00 N ATOM 536 CA ASP A 35 5.984 7.448 3.934 1.00 0.00 C ATOM 537 C ASP A 35 6.641 6.334 3.145 1.00 0.00 C ATOM 538 O ASP A 35 6.686 5.202 3.625 1.00 0.00 O ATOM 539 CB ASP A 35 6.780 7.614 5.243 1.00 0.00 C ATOM 540 CG ASP A 35 6.176 8.614 6.230 1.00 0.00 C ATOM 541 OD1 ASP A 35 5.016 8.416 6.649 1.00 0.00 O ATOM 542 OD2 ASP A 35 6.856 9.607 6.595 1.00 0.00 O ATOM 0 H ASP A 35 4.465 6.542 5.035 1.00 0.00 H new ATOM 0 HA ASP A 35 5.981 8.414 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.858 6.643 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.794 7.931 4.999 1.00 0.00 H new ATOM 548 N ILE A 36 7.144 6.627 1.956 1.00 0.00 N ATOM 549 CA ILE A 36 7.814 5.686 1.076 1.00 0.00 C ATOM 550 C ILE A 36 9.240 6.206 0.940 1.00 0.00 C ATOM 551 O ILE A 36 9.429 7.366 0.549 1.00 0.00 O ATOM 552 CB ILE A 36 7.107 5.642 -0.297 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.560 5.649 -0.303 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.601 4.410 -1.069 1.00 0.00 C ATOM 555 CD1 ILE A 36 5.029 6.462 -1.495 1.00 0.00 C ATOM 0 H ILE A 36 7.094 7.567 1.563 1.00 0.00 H new ATOM 0 HA ILE A 36 7.796 4.670 1.469 1.00 0.00 H new ATOM 0 HB ILE A 36 7.378 6.588 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.186 4.627 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.189 6.075 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.109 4.368 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.680 4.478 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.366 3.508 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.939 6.456 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.387 7.489 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.384 6.018 -2.425 1.00 0.00 H new ATOM 567 N GLN A 37 10.222 5.376 1.271 1.00 0.00 N ATOM 568 CA GLN A 37 11.637 5.703 1.198 1.00 0.00 C ATOM 569 C GLN A 37 12.398 4.473 0.705 1.00 0.00 C ATOM 570 O GLN A 37 12.057 3.362 1.102 1.00 0.00 O ATOM 571 CB GLN A 37 12.104 6.179 2.582 1.00 0.00 C ATOM 572 CG GLN A 37 11.963 5.169 3.727 1.00 0.00 C ATOM 573 CD GLN A 37 12.165 5.837 5.086 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.175 6.492 5.323 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.216 5.704 5.996 1.00 0.00 N ATOM 0 H GLN A 37 10.048 4.429 1.607 1.00 0.00 H new ATOM 0 HA GLN A 37 11.829 6.511 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.152 6.470 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.542 7.075 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.976 4.709 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.693 4.369 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.381 5.157 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.318 6.149 6.908 1.00 0.00 H new ATOM 584 N ILE A 38 13.372 4.640 -0.198 1.00 0.00 N ATOM 585 CA ILE A 38 14.096 3.525 -0.793 1.00 0.00 C ATOM 586 C ILE A 38 15.596 3.823 -0.785 1.00 0.00 C ATOM 587 O ILE A 38 16.038 4.862 -1.281 1.00 0.00 O ATOM 588 CB ILE A 38 13.591 3.241 -2.220 1.00 0.00 C ATOM 589 CG1 ILE A 38 12.064 3.151 -2.378 1.00 0.00 C ATOM 590 CG2 ILE A 38 14.220 1.953 -2.769 1.00 0.00 C ATOM 591 CD1 ILE A 38 11.388 4.494 -2.573 1.00 0.00 C ATOM 0 H ILE A 38 13.676 5.554 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 38 13.916 2.628 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 38 13.904 4.115 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.833 2.512 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.645 2.669 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.851 1.769 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.305 2.059 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.952 1.114 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.313 4.348 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.586 5.130 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.778 4.971 -3.472 1.00 0.00 H new ATOM 603 N ASP A 39 16.378 2.892 -0.246 1.00 0.00 N ATOM 604 CA ASP A 39 17.833 3.002 -0.098 1.00 0.00 C ATOM 605 C ASP A 39 18.538 2.795 -1.445 1.00 0.00 C ATOM 606 O ASP A 39 17.904 2.409 -2.432 1.00 0.00 O ATOM 607 CB ASP A 39 18.331 1.973 0.935 1.00 0.00 C ATOM 608 CG ASP A 39 17.742 2.147 2.341 1.00 0.00 C ATOM 609 OD1 ASP A 39 17.124 3.203 2.636 1.00 0.00 O ATOM 610 OD2 ASP A 39 17.858 1.169 3.118 1.00 0.00 O ATOM 0 H ASP A 39 16.009 2.011 0.112 1.00 0.00 H new ATOM 0 HA ASP A 39 18.072 4.005 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.092 0.972 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.417 2.038 0.999 1.00 0.00 H new ATOM 616 N ASP A 40 19.864 2.976 -1.514 1.00 0.00 N ATOM 617 CA ASP A 40 20.666 2.554 -2.685 1.00 0.00 C ATOM 618 C ASP A 40 20.794 1.025 -2.770 1.00 0.00 C ATOM 619 O ASP A 40 21.293 0.470 -3.748 1.00 0.00 O ATOM 620 CB ASP A 40 22.062 3.189 -2.691 1.00 0.00 C ATOM 621 CG ASP A 40 22.559 3.368 -4.131 1.00 0.00 C ATOM 622 OD1 ASP A 40 22.171 4.402 -4.729 1.00 0.00 O ATOM 623 OD2 ASP A 40 23.333 2.542 -4.665 1.00 0.00 O ATOM 0 H ASP A 40 20.411 3.413 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 40 20.124 2.909 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 40 22.032 4.155 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.757 2.561 -2.135 1.00 0.00 H new ATOM 629 N GLN A 41 20.301 0.319 -1.751 1.00 0.00 N ATOM 630 CA GLN A 41 20.102 -1.116 -1.767 1.00 0.00 C ATOM 631 C GLN A 41 18.800 -1.497 -2.473 1.00 0.00 C ATOM 632 O GLN A 41 18.587 -2.688 -2.667 1.00 0.00 O ATOM 633 CB GLN A 41 20.147 -1.651 -0.331 1.00 0.00 C ATOM 634 CG GLN A 41 21.566 -1.959 0.168 1.00 0.00 C ATOM 635 CD GLN A 41 22.536 -0.787 0.065 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.492 -0.831 -0.703 1.00 0.00 O ATOM 637 NE2 GLN A 41 22.360 0.263 0.849 1.00 0.00 N ATOM 0 H GLN A 41 20.024 0.751 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 41 20.907 -1.577 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 41 19.688 -0.920 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 41 19.545 -2.558 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 41 21.511 -2.279 1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 41 21.965 -2.797 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.564 0.296 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.020 1.040 0.817 1.00 0.00 H new ATOM 646 N ASN A 42 17.930 -0.545 -2.850 1.00 0.00 N ATOM 647 CA ASN A 42 16.534 -0.787 -3.267 1.00 0.00 C ATOM 648 C ASN A 42 15.740 -1.475 -2.154 1.00 0.00 C ATOM 649 O ASN A 42 14.726 -2.123 -2.406 1.00 0.00 O ATOM 650 CB ASN A 42 16.412 -1.585 -4.585 1.00 0.00 C ATOM 651 CG ASN A 42 16.580 -0.784 -5.850 1.00 0.00 C ATOM 652 OD1 ASN A 42 16.125 0.351 -5.937 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.134 -1.403 -6.876 1.00 0.00 N ATOM 0 H ASN A 42 18.183 0.443 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 42 16.107 0.197 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.158 -2.380 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.434 -2.066 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.195 -0.936 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.501 -2.348 -6.764 1.00 0.00 H new ATOM 660 N ASN A 43 16.180 -1.345 -0.907 1.00 0.00 N ATOM 661 CA ASN A 43 15.360 -1.665 0.247 1.00 0.00 C ATOM 662 C ASN A 43 14.215 -0.670 0.226 1.00 0.00 C ATOM 663 O ASN A 43 14.451 0.509 0.505 1.00 0.00 O ATOM 664 CB ASN A 43 16.155 -1.502 1.530 1.00 0.00 C ATOM 665 CG ASN A 43 17.372 -2.414 1.606 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.425 -3.478 0.994 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.413 -1.986 2.289 1.00 0.00 N ATOM 0 H ASN A 43 17.116 -1.014 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 43 15.010 -2.697 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.481 -0.466 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.504 -1.705 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.270 -2.539 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.363 -1.102 2.795 1.00 0.00 H new ATOM 674 N VAL A 44 13.027 -1.078 -0.215 1.00 0.00 N ATOM 675 CA VAL A 44 11.860 -0.216 -0.156 1.00 0.00 C ATOM 676 C VAL A 44 11.309 -0.285 1.261 1.00 0.00 C ATOM 677 O VAL A 44 11.062 -1.383 1.757 1.00 0.00 O ATOM 678 CB VAL A 44 10.848 -0.709 -1.201 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.459 -0.077 -1.032 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.332 -0.417 -2.624 1.00 0.00 C ATOM 0 H VAL A 44 12.852 -2.000 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 44 12.095 0.824 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 44 10.766 -1.784 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.788 -0.464 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.065 -0.323 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.537 1.006 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.594 -0.778 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.465 0.658 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.282 -0.923 -2.796 1.00 0.00 H new ATOM 690 N LYS A 45 11.066 0.862 1.902 1.00 0.00 N ATOM 691 CA LYS A 45 10.467 0.912 3.214 1.00 0.00 C ATOM 692 C LYS A 45 9.252 1.804 3.127 1.00 0.00 C ATOM 693 O LYS A 45 9.299 2.880 2.521 1.00 0.00 O ATOM 694 CB LYS A 45 11.550 1.408 4.171 1.00 0.00 C ATOM 695 CG LYS A 45 11.088 1.556 5.625 1.00 0.00 C ATOM 696 CD LYS A 45 12.187 2.223 6.457 1.00 0.00 C ATOM 697 CE LYS A 45 11.571 2.949 7.649 1.00 0.00 C ATOM 698 NZ LYS A 45 11.380 2.085 8.832 1.00 0.00 N ATOM 0 H LYS A 45 11.285 1.779 1.513 1.00 0.00 H new ATOM 0 HA LYS A 45 10.118 -0.051 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.392 0.716 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.916 2.372 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.176 2.152 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.849 0.577 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.897 1.473 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.745 2.928 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.210 3.789 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.608 3.364 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.959 2.641 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.747 1.297 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.300 1.708 9.139 1.00 0.00 H new ATOM 712 N VAL A 46 8.147 1.313 3.675 1.00 0.00 N ATOM 713 CA VAL A 46 6.848 1.954 3.573 1.00 0.00 C ATOM 714 C VAL A 46 6.107 1.934 4.907 1.00 0.00 C ATOM 715 O VAL A 46 5.894 0.884 5.503 1.00 0.00 O ATOM 716 CB VAL A 46 5.980 1.383 2.436 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.016 2.504 2.015 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.779 0.905 1.212 1.00 0.00 C ATOM 0 H VAL A 46 8.131 0.445 4.210 1.00 0.00 H new ATOM 0 HA VAL A 46 7.043 2.994 3.313 1.00 0.00 H new ATOM 0 HB VAL A 46 5.467 0.496 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.375 2.149 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.400 2.793 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.588 3.366 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.093 0.518 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.341 1.741 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.469 0.117 1.513 1.00 0.00 H new ATOM 728 N LEU A 47 5.676 3.115 5.346 1.00 0.00 N ATOM 729 CA LEU A 47 5.005 3.384 6.619 1.00 0.00 C ATOM 730 C LEU A 47 3.491 3.249 6.498 1.00 0.00 C ATOM 731 O LEU A 47 2.752 4.075 7.016 1.00 0.00 O ATOM 732 CB LEU A 47 5.467 4.766 7.109 1.00 0.00 C ATOM 733 CG LEU A 47 5.717 4.811 8.618 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.078 4.152 8.892 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.797 6.257 9.111 1.00 0.00 C ATOM 0 H LEU A 47 5.792 3.962 4.790 1.00 0.00 H new ATOM 0 HA LEU A 47 5.283 2.641 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.382 5.044 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.713 5.509 6.849 1.00 0.00 H new ATOM 0 HG LEU A 47 4.902 4.299 9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.282 4.170 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.059 3.119 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.860 4.698 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.975 6.265 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.614 6.770 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.859 6.768 8.895 1.00 0.00 H new ATOM 747 N MET A 48 3.017 2.247 5.759 1.00 0.00 N ATOM 748 CA MET A 48 1.605 2.121 5.402 1.00 0.00 C ATOM 749 C MET A 48 0.757 1.534 6.541 1.00 0.00 C ATOM 750 O MET A 48 1.230 1.379 7.668 1.00 0.00 O ATOM 751 CB MET A 48 1.499 1.372 4.069 1.00 0.00 C ATOM 752 CG MET A 48 1.982 -0.066 4.030 1.00 0.00 C ATOM 753 SD MET A 48 0.921 -1.336 4.772 1.00 0.00 S ATOM 754 CE MET A 48 -0.420 -1.434 3.554 1.00 0.00 C ATOM 0 H MET A 48 3.603 1.498 5.390 1.00 0.00 H new ATOM 0 HA MET A 48 1.170 3.110 5.256 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.454 1.384 3.759 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.059 1.935 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.147 -0.335 2.987 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.951 -0.107 4.527 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.141 -2.189 3.867 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.916 -0.466 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.009 -1.706 2.582 1.00 0.00 H new ATOM 764 N THR A 49 -0.525 1.296 6.289 1.00 0.00 N ATOM 765 CA THR A 49 -1.463 0.792 7.279 1.00 0.00 C ATOM 766 C THR A 49 -2.631 0.116 6.546 1.00 0.00 C ATOM 767 O THR A 49 -2.586 -0.056 5.325 1.00 0.00 O ATOM 768 CB THR A 49 -1.842 1.957 8.220 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.572 1.493 9.334 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.610 3.085 7.525 1.00 0.00 C ATOM 0 H THR A 49 -0.947 1.451 5.374 1.00 0.00 H new ATOM 0 HA THR A 49 -1.041 0.019 7.921 1.00 0.00 H new ATOM 0 HB THR A 49 -0.895 2.381 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.126 1.778 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.842 3.867 8.248 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.999 3.501 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.537 2.691 7.108 1.00 0.00 H new ATOM 778 N MET A 50 -3.676 -0.270 7.276 1.00 0.00 N ATOM 779 CA MET A 50 -4.896 -0.900 6.775 1.00 0.00 C ATOM 780 C MET A 50 -6.090 -0.043 7.206 1.00 0.00 C ATOM 781 O MET A 50 -5.988 0.715 8.170 1.00 0.00 O ATOM 782 CB MET A 50 -5.012 -2.320 7.348 1.00 0.00 C ATOM 783 CG MET A 50 -4.588 -3.406 6.362 1.00 0.00 C ATOM 784 SD MET A 50 -2.869 -3.388 5.824 1.00 0.00 S ATOM 785 CE MET A 50 -3.008 -4.693 4.577 1.00 0.00 C ATOM 0 H MET A 50 -3.695 -0.145 8.288 1.00 0.00 H new ATOM 0 HA MET A 50 -4.874 -0.972 5.688 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.397 -2.394 8.245 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.043 -2.498 7.653 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.792 -4.376 6.816 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.221 -3.329 5.478 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.051 -4.815 4.069 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.284 -5.630 5.060 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.773 -4.421 3.849 1.00 0.00 H new ATOM 795 N THR A 51 -7.247 -0.198 6.550 1.00 0.00 N ATOM 796 CA THR A 51 -8.485 0.424 7.031 1.00 0.00 C ATOM 797 C THR A 51 -8.790 -0.079 8.444 1.00 0.00 C ATOM 798 O THR A 51 -9.166 0.709 9.320 1.00 0.00 O ATOM 799 CB THR A 51 -9.646 0.184 6.031 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.882 0.741 6.433 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.896 -1.278 5.628 1.00 0.00 C ATOM 0 H THR A 51 -7.351 -0.743 5.694 1.00 0.00 H new ATOM 0 HA THR A 51 -8.361 1.505 7.090 1.00 0.00 H new ATOM 0 HB THR A 51 -9.268 0.712 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.828 1.719 6.395 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.729 -1.325 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.001 -1.683 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.135 -1.864 6.515 1.00 0.00 H new ATOM 809 N THR A 52 -8.653 -1.390 8.673 1.00 0.00 N ATOM 810 CA THR A 52 -9.109 -2.045 9.883 1.00 0.00 C ATOM 811 C THR A 52 -8.174 -3.228 10.208 1.00 0.00 C ATOM 812 O THR A 52 -7.553 -3.791 9.301 1.00 0.00 O ATOM 813 CB THR A 52 -10.579 -2.481 9.694 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.695 -3.537 8.765 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.502 -1.354 9.219 1.00 0.00 C ATOM 0 H THR A 52 -8.215 -2.026 8.007 1.00 0.00 H new ATOM 0 HA THR A 52 -9.074 -1.364 10.734 1.00 0.00 H new ATOM 0 HB THR A 52 -10.893 -2.798 10.689 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.638 -3.788 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.517 -1.737 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.496 -0.546 9.951 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.151 -0.976 8.259 1.00 0.00 H new ATOM 823 N PRO A 53 -8.040 -3.627 11.485 1.00 0.00 N ATOM 824 CA PRO A 53 -7.148 -4.704 11.911 1.00 0.00 C ATOM 825 C PRO A 53 -7.720 -6.117 11.768 1.00 0.00 C ATOM 826 O PRO A 53 -7.028 -7.065 12.143 1.00 0.00 O ATOM 827 CB PRO A 53 -6.839 -4.390 13.375 1.00 0.00 C ATOM 828 CG PRO A 53 -8.152 -3.778 13.850 1.00 0.00 C ATOM 829 CD PRO A 53 -8.527 -2.910 12.652 1.00 0.00 C ATOM 0 HA PRO A 53 -6.269 -4.726 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.579 -5.286 13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.005 -3.696 13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.906 -4.536 14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.027 -3.191 14.760 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.605 -2.760 12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.071 -1.923 12.725 1.00 0.00 H new ATOM 837 N MET A 54 -8.954 -6.289 11.288 1.00 0.00 N ATOM 838 CA MET A 54 -9.544 -7.613 11.131 1.00 0.00 C ATOM 839 C MET A 54 -9.377 -8.076 9.686 1.00 0.00 C ATOM 840 O MET A 54 -8.500 -8.900 9.414 1.00 0.00 O ATOM 841 CB MET A 54 -10.974 -7.695 11.705 1.00 0.00 C ATOM 842 CG MET A 54 -11.985 -6.615 11.297 1.00 0.00 C ATOM 843 SD MET A 54 -11.766 -4.995 12.080 1.00 0.00 S ATOM 844 CE MET A 54 -13.218 -4.165 11.382 1.00 0.00 C ATOM 0 H MET A 54 -9.563 -5.522 11.001 1.00 0.00 H new ATOM 0 HA MET A 54 -9.004 -8.336 11.743 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.390 -8.663 11.424 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.897 -7.684 12.792 1.00 0.00 H new ATOM 0 HG2 MET A 54 -11.933 -6.485 10.216 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.987 -6.976 11.527 1.00 0.00 H new ATOM 0 HE1 MET A 54 -13.262 -3.140 11.749 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.146 -4.158 10.294 1.00 0.00 H new ATOM 0 HE3 MET A 54 -14.121 -4.697 11.682 1.00 0.00 H new ATOM 854 N CYS A 55 -10.182 -7.535 8.761 1.00 0.00 N ATOM 855 CA CYS A 55 -10.339 -7.998 7.382 1.00 0.00 C ATOM 856 C CYS A 55 -10.572 -9.528 7.313 1.00 0.00 C ATOM 857 O CYS A 55 -10.713 -10.172 8.354 1.00 0.00 O ATOM 858 CB CYS A 55 -9.175 -7.433 6.554 1.00 0.00 C ATOM 859 SG CYS A 55 -9.195 -5.620 6.633 1.00 0.00 S ATOM 0 H CYS A 55 -10.767 -6.725 8.967 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.250 -7.611 6.925 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.227 -7.813 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.258 -7.763 5.518 1.00 0.00 H new ATOM 0 HG CYS A 55 -9.920 -5.238 7.642 1.00 0.00 H new ATOM 865 N PRO A 56 -10.752 -10.147 6.134 1.00 0.00 N ATOM 866 CA PRO A 56 -11.104 -11.561 6.070 1.00 0.00 C ATOM 867 C PRO A 56 -9.871 -12.472 6.027 1.00 0.00 C ATOM 868 O PRO A 56 -9.975 -13.661 6.312 1.00 0.00 O ATOM 869 CB PRO A 56 -11.949 -11.680 4.805 1.00 0.00 C ATOM 870 CG PRO A 56 -11.400 -10.594 3.873 1.00 0.00 C ATOM 871 CD PRO A 56 -10.754 -9.565 4.804 1.00 0.00 C ATOM 0 HA PRO A 56 -11.642 -11.887 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.857 -12.670 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.006 -11.523 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.672 -11.005 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.195 -10.144 3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.739 -9.335 4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.312 -8.629 4.792 1.00 0.00 H new ATOM 879 N LEU A 57 -8.725 -11.917 5.628 1.00 0.00 N ATOM 880 CA LEU A 57 -7.447 -12.565 5.374 1.00 0.00 C ATOM 881 C LEU A 57 -6.388 -11.459 5.333 1.00 0.00 C ATOM 882 O LEU A 57 -5.666 -11.321 4.348 1.00 0.00 O ATOM 883 CB LEU A 57 -7.487 -13.418 4.077 1.00 0.00 C ATOM 884 CG LEU A 57 -8.429 -12.978 2.938 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.083 -11.614 2.342 1.00 0.00 C ATOM 886 CD2 LEU A 57 -8.446 -14.004 1.808 1.00 0.00 C ATOM 0 H LEU A 57 -8.668 -10.912 5.461 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.203 -13.275 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.475 -13.457 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.758 -14.436 4.357 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.411 -12.901 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.790 -11.374 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.139 -10.852 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.073 -11.641 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.119 -13.666 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.440 -14.116 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.791 -14.964 2.193 1.00 0.00 H new ATOM 898 N ALA A 58 -6.313 -10.626 6.379 1.00 0.00 N ATOM 899 CA ALA A 58 -5.419 -9.468 6.371 1.00 0.00 C ATOM 900 C ALA A 58 -3.976 -9.881 6.096 1.00 0.00 C ATOM 901 O ALA A 58 -3.280 -9.180 5.379 1.00 0.00 O ATOM 902 CB ALA A 58 -5.430 -8.725 7.701 1.00 0.00 C ATOM 0 H ALA A 58 -6.858 -10.734 7.235 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.790 -8.817 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.752 -7.873 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.439 -8.372 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.107 -9.397 8.496 1.00 0.00 H new ATOM 908 N GLY A 59 -3.526 -11.009 6.648 1.00 0.00 N ATOM 909 CA GLY A 59 -2.202 -11.565 6.420 1.00 0.00 C ATOM 910 C GLY A 59 -1.863 -11.703 4.941 1.00 0.00 C ATOM 911 O GLY A 59 -0.744 -11.382 4.534 1.00 0.00 O ATOM 0 H GLY A 59 -4.092 -11.572 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.459 -10.928 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.138 -12.544 6.895 1.00 0.00 H new ATOM 915 N MET A 60 -2.844 -12.152 4.159 1.00 0.00 N ATOM 916 CA MET A 60 -2.777 -12.293 2.719 1.00 0.00 C ATOM 917 C MET A 60 -2.687 -10.897 2.109 1.00 0.00 C ATOM 918 O MET A 60 -1.736 -10.629 1.391 1.00 0.00 O ATOM 919 CB MET A 60 -4.006 -13.080 2.227 1.00 0.00 C ATOM 920 CG MET A 60 -3.666 -14.019 1.071 1.00 0.00 C ATOM 921 SD MET A 60 -5.082 -14.907 0.370 1.00 0.00 S ATOM 922 CE MET A 60 -4.266 -15.826 -0.960 1.00 0.00 C ATOM 0 H MET A 60 -3.747 -12.439 4.538 1.00 0.00 H new ATOM 0 HA MET A 60 -1.896 -12.855 2.410 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.419 -13.659 3.053 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.780 -12.381 1.909 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.190 -13.440 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.933 -14.748 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.003 -16.427 -1.493 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.799 -15.126 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.504 -16.479 -0.536 1.00 0.00 H new ATOM 932 N ILE A 61 -3.609 -9.991 2.457 1.00 0.00 N ATOM 933 CA ILE A 61 -3.657 -8.610 1.964 1.00 0.00 C ATOM 934 C ILE A 61 -2.307 -7.901 2.211 1.00 0.00 C ATOM 935 O ILE A 61 -1.840 -7.132 1.368 1.00 0.00 O ATOM 936 CB ILE A 61 -4.868 -7.865 2.601 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.212 -8.557 2.274 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.964 -6.401 2.147 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.452 -7.962 2.962 1.00 0.00 C ATOM 0 H ILE A 61 -4.364 -10.205 3.108 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.811 -8.605 0.885 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.687 -7.897 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.365 -8.521 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.135 -9.609 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.825 -5.929 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.056 -5.871 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.079 -6.363 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.338 -8.522 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.332 -8.023 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.566 -6.919 2.668 1.00 0.00 H new ATOM 951 N LEU A 62 -1.676 -8.137 3.365 1.00 0.00 N ATOM 952 CA LEU A 62 -0.375 -7.595 3.744 1.00 0.00 C ATOM 953 C LEU A 62 0.709 -8.153 2.819 1.00 0.00 C ATOM 954 O LEU A 62 1.446 -7.379 2.205 1.00 0.00 O ATOM 955 CB LEU A 62 -0.058 -7.951 5.212 1.00 0.00 C ATOM 956 CG LEU A 62 -0.910 -7.213 6.259 1.00 0.00 C ATOM 957 CD1 LEU A 62 -0.894 -7.944 7.607 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.432 -5.784 6.485 1.00 0.00 C ATOM 0 H LEU A 62 -2.077 -8.735 4.087 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.400 -6.510 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.193 -9.024 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.993 -7.735 5.404 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.924 -7.192 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.505 -7.397 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.295 -8.949 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.130 -8.006 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.064 -5.303 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.600 -5.797 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.490 -5.229 5.549 1.00 0.00 H new ATOM 970 N SER A 63 0.815 -9.483 2.724 1.00 0.00 N ATOM 971 CA SER A 63 1.856 -10.126 1.932 1.00 0.00 C ATOM 972 C SER A 63 1.677 -9.808 0.442 1.00 0.00 C ATOM 973 O SER A 63 2.666 -9.623 -0.253 1.00 0.00 O ATOM 974 CB SER A 63 1.876 -11.637 2.223 1.00 0.00 C ATOM 975 OG SER A 63 3.186 -12.173 2.120 1.00 0.00 O ATOM 0 H SER A 63 0.185 -10.135 3.192 1.00 0.00 H new ATOM 0 HA SER A 63 2.830 -9.729 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.485 -11.820 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.216 -12.151 1.524 1.00 0.00 H new ATOM 0 HG SER A 63 3.162 -13.134 2.313 1.00 0.00 H new ATOM 981 N ASP A 64 0.440 -9.668 -0.040 1.00 0.00 N ATOM 982 CA ASP A 64 0.071 -9.317 -1.411 1.00 0.00 C ATOM 983 C ASP A 64 0.548 -7.907 -1.762 1.00 0.00 C ATOM 984 O ASP A 64 1.077 -7.676 -2.850 1.00 0.00 O ATOM 985 CB ASP A 64 -1.453 -9.395 -1.527 1.00 0.00 C ATOM 986 CG ASP A 64 -1.999 -9.213 -2.935 1.00 0.00 C ATOM 987 OD1 ASP A 64 -3.124 -8.667 -3.031 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.440 -9.751 -3.914 1.00 0.00 O ATOM 0 H ASP A 64 -0.379 -9.805 0.553 1.00 0.00 H new ATOM 0 HA ASP A 64 0.545 -10.010 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.783 -10.362 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.891 -8.633 -0.882 1.00 0.00 H new ATOM 994 N ALA A 65 0.432 -6.963 -0.822 1.00 0.00 N ATOM 995 CA ALA A 65 0.963 -5.621 -1.005 1.00 0.00 C ATOM 996 C ALA A 65 2.477 -5.696 -1.201 1.00 0.00 C ATOM 997 O ALA A 65 3.005 -5.169 -2.185 1.00 0.00 O ATOM 998 CB ALA A 65 0.590 -4.721 0.177 1.00 0.00 C ATOM 0 H ALA A 65 -0.029 -7.112 0.076 1.00 0.00 H new ATOM 0 HA ALA A 65 0.520 -5.176 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.998 -3.723 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.495 -4.660 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.001 -5.138 1.096 1.00 0.00 H new ATOM 1004 N GLU A 66 3.188 -6.356 -0.282 1.00 0.00 N ATOM 1005 CA GLU A 66 4.616 -6.535 -0.343 1.00 0.00 C ATOM 1006 C GLU A 66 5.008 -7.289 -1.632 1.00 0.00 C ATOM 1007 O GLU A 66 6.029 -6.977 -2.239 1.00 0.00 O ATOM 1008 CB GLU A 66 5.018 -7.276 0.947 1.00 0.00 C ATOM 1009 CG GLU A 66 6.425 -7.792 0.769 1.00 0.00 C ATOM 1010 CD GLU A 66 7.193 -8.185 2.017 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.944 -7.685 3.130 1.00 0.00 O ATOM 1012 OE2 GLU A 66 8.115 -9.017 1.837 1.00 0.00 O ATOM 0 H GLU A 66 2.763 -6.786 0.540 1.00 0.00 H new ATOM 0 HA GLU A 66 5.151 -5.587 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.964 -6.605 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.332 -8.100 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.383 -8.661 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.000 -7.026 0.248 1.00 0.00 H new ATOM 1020 N GLU A 67 4.217 -8.265 -2.057 1.00 0.00 N ATOM 1021 CA GLU A 67 4.425 -9.067 -3.244 1.00 0.00 C ATOM 1022 C GLU A 67 4.455 -8.188 -4.491 1.00 0.00 C ATOM 1023 O GLU A 67 5.343 -8.329 -5.324 1.00 0.00 O ATOM 1024 CB GLU A 67 3.349 -10.158 -3.291 1.00 0.00 C ATOM 1025 CG GLU A 67 3.410 -11.056 -4.525 1.00 0.00 C ATOM 1026 CD GLU A 67 2.540 -12.296 -4.327 1.00 0.00 C ATOM 1027 OE1 GLU A 67 1.425 -12.224 -3.765 1.00 0.00 O ATOM 1028 OE2 GLU A 67 2.981 -13.414 -4.687 1.00 0.00 O ATOM 0 H GLU A 67 3.370 -8.528 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 67 5.397 -9.559 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.441 -10.780 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.368 -9.685 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.072 -10.503 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.441 -11.354 -4.715 1.00 0.00 H new ATOM 1036 N ALA A 68 3.562 -7.210 -4.602 1.00 0.00 N ATOM 1037 CA ALA A 68 3.586 -6.309 -5.752 1.00 0.00 C ATOM 1038 C ALA A 68 4.833 -5.430 -5.698 1.00 0.00 C ATOM 1039 O ALA A 68 5.490 -5.192 -6.712 1.00 0.00 O ATOM 1040 CB ALA A 68 2.323 -5.459 -5.800 1.00 0.00 C ATOM 0 H ALA A 68 2.824 -7.021 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 68 3.619 -6.905 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.363 -4.796 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.451 -6.108 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.250 -4.864 -4.890 1.00 0.00 H new ATOM 1046 N ILE A 69 5.176 -4.961 -4.501 1.00 0.00 N ATOM 1047 CA ILE A 69 6.349 -4.141 -4.264 1.00 0.00 C ATOM 1048 C ILE A 69 7.629 -4.911 -4.639 1.00 0.00 C ATOM 1049 O ILE A 69 8.524 -4.323 -5.247 1.00 0.00 O ATOM 1050 CB ILE A 69 6.309 -3.633 -2.804 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.112 -2.688 -2.569 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.618 -2.935 -2.451 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.963 -2.262 -1.102 1.00 0.00 C ATOM 0 H ILE A 69 4.634 -5.146 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 69 6.353 -3.260 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 69 6.183 -4.497 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.230 -1.800 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.196 -3.183 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.576 -2.582 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.445 -3.636 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.770 -2.087 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.104 -1.598 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.815 -3.145 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.864 -1.740 -0.781 1.00 0.00 H new ATOM 1065 N LYS A 70 7.759 -6.203 -4.321 1.00 0.00 N ATOM 1066 CA LYS A 70 8.980 -6.944 -4.651 1.00 0.00 C ATOM 1067 C LYS A 70 9.086 -7.272 -6.142 1.00 0.00 C ATOM 1068 O LYS A 70 10.183 -7.577 -6.606 1.00 0.00 O ATOM 1069 CB LYS A 70 9.158 -8.180 -3.754 1.00 0.00 C ATOM 1070 CG LYS A 70 8.195 -9.326 -4.078 1.00 0.00 C ATOM 1071 CD LYS A 70 8.189 -10.475 -3.060 1.00 0.00 C ATOM 1072 CE LYS A 70 7.680 -9.991 -1.688 1.00 0.00 C ATOM 1073 NZ LYS A 70 8.738 -10.046 -0.652 1.00 0.00 N ATOM 0 H LYS A 70 7.044 -6.751 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 70 9.818 -6.281 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.182 -8.541 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.019 -7.885 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.185 -8.922 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.451 -9.730 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.555 -11.284 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.196 -10.880 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.313 -8.968 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.836 -10.606 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.354 -9.712 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.071 -11.026 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.533 -9.439 -0.935 1.00 0.00 H new ATOM 1087 N LYS A 71 8.008 -7.164 -6.929 1.00 0.00 N ATOM 1088 CA LYS A 71 7.995 -7.585 -8.329 1.00 0.00 C ATOM 1089 C LYS A 71 8.704 -6.576 -9.204 1.00 0.00 C ATOM 1090 O LYS A 71 8.849 -6.809 -10.408 1.00 0.00 O ATOM 1091 CB LYS A 71 6.548 -7.763 -8.804 1.00 0.00 C ATOM 1092 CG LYS A 71 5.887 -8.973 -8.129 1.00 0.00 C ATOM 1093 CD LYS A 71 5.560 -10.087 -9.109 1.00 0.00 C ATOM 1094 CE LYS A 71 4.313 -9.669 -9.883 1.00 0.00 C ATOM 1095 NZ LYS A 71 3.756 -10.790 -10.647 1.00 0.00 N ATOM 0 H LYS A 71 7.119 -6.780 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 71 8.523 -8.536 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.976 -6.862 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.531 -7.893 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.550 -9.359 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.971 -8.651 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.395 -10.256 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.386 -11.024 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.562 -9.291 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.561 -8.852 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.910 -10.473 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.465 -11.134 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.498 -11.559 -9.996 1.00 0.00 H new ATOM 1109 N ILE A 72 9.141 -5.455 -8.630 1.00 0.00 N ATOM 1110 CA ILE A 72 9.720 -4.345 -9.352 1.00 0.00 C ATOM 1111 C ILE A 72 11.174 -4.665 -9.764 1.00 0.00 C ATOM 1112 O ILE A 72 11.887 -3.796 -10.259 1.00 0.00 O ATOM 1113 CB ILE A 72 9.434 -3.005 -8.625 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.985 -2.921 -8.077 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.634 -1.800 -9.566 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.765 -1.726 -7.137 1.00 0.00 C ATOM 0 H ILE A 72 9.096 -5.299 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 72 9.231 -4.192 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 72 10.142 -2.973 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.290 -2.850 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.750 -3.843 -7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.425 -0.877 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.663 -1.785 -9.925 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.955 -1.884 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.732 -1.723 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.437 -1.807 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.969 -0.799 -7.673 1.00 0.00 H new ATOM 1128 N GLU A 73 11.608 -5.922 -9.604 1.00 0.00 N ATOM 1129 CA GLU A 73 12.880 -6.493 -10.031 1.00 0.00 C ATOM 1130 C GLU A 73 14.069 -5.593 -9.682 1.00 0.00 C ATOM 1131 O GLU A 73 15.006 -5.389 -10.462 1.00 0.00 O ATOM 1132 CB GLU A 73 12.779 -6.868 -11.518 1.00 0.00 C ATOM 1133 CG GLU A 73 13.671 -8.081 -11.793 1.00 0.00 C ATOM 1134 CD GLU A 73 13.917 -8.293 -13.284 1.00 0.00 C ATOM 1135 OE1 GLU A 73 14.437 -7.365 -13.954 1.00 0.00 O ATOM 1136 OE2 GLU A 73 13.648 -9.406 -13.792 1.00 0.00 O ATOM 0 H GLU A 73 11.028 -6.617 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 73 13.081 -7.408 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.745 -7.095 -11.779 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.087 -6.027 -12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.626 -7.949 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.207 -8.973 -11.373 1.00 0.00 H new ATOM 1144 N GLY A 74 14.020 -5.091 -8.451 1.00 0.00 N ATOM 1145 CA GLY A 74 14.912 -4.100 -7.896 1.00 0.00 C ATOM 1146 C GLY A 74 14.878 -4.198 -6.383 1.00 0.00 C ATOM 1147 O GLY A 74 15.917 -4.353 -5.746 1.00 0.00 O ATOM 0 H GLY A 74 13.311 -5.389 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.927 -4.260 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.612 -3.102 -8.216 1.00 0.00 H new ATOM 1151 N VAL A 75 13.653 -4.122 -5.856 1.00 0.00 N ATOM 1152 CA VAL A 75 13.157 -4.165 -4.481 1.00 0.00 C ATOM 1153 C VAL A 75 13.729 -5.190 -3.521 1.00 0.00 C ATOM 1154 O VAL A 75 13.101 -6.204 -3.230 1.00 0.00 O ATOM 1155 CB VAL A 75 11.664 -3.938 -4.373 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.262 -3.707 -2.928 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.331 -2.713 -5.212 1.00 0.00 C ATOM 0 H VAL A 75 12.863 -4.011 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 75 13.637 -3.281 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 75 11.120 -4.812 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.185 -3.546 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.530 -4.579 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.781 -2.830 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.260 -2.516 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.878 -1.851 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.616 -2.893 -6.248 1.00 0.00 H new ATOM 1167 N ASN A 76 15.001 -5.016 -3.228 1.00 0.00 N ATOM 1168 CA ASN A 76 15.874 -5.975 -2.600 1.00 0.00 C ATOM 1169 C ASN A 76 15.297 -6.544 -1.313 1.00 0.00 C ATOM 1170 O ASN A 76 15.241 -7.756 -1.124 1.00 0.00 O ATOM 1171 CB ASN A 76 17.185 -5.263 -2.272 1.00 0.00 C ATOM 1172 CG ASN A 76 18.138 -6.151 -1.498 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.606 -7.153 -2.029 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.459 -5.815 -0.260 1.00 0.00 N ATOM 0 H ASN A 76 15.480 -4.141 -3.438 1.00 0.00 H new ATOM 0 HA ASN A 76 16.014 -6.809 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.662 -4.939 -3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.974 -4.365 -1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.108 -6.393 0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.058 -4.977 0.161 1.00 0.00 H new ATOM 1181 N ASN A 77 14.946 -5.631 -0.419 1.00 0.00 N ATOM 1182 CA ASN A 77 14.314 -5.872 0.868 1.00 0.00 C ATOM 1183 C ASN A 77 13.073 -4.987 0.965 1.00 0.00 C ATOM 1184 O ASN A 77 12.977 -3.992 0.230 1.00 0.00 O ATOM 1185 CB ASN A 77 15.299 -5.490 1.961 1.00 0.00 C ATOM 1186 CG ASN A 77 14.821 -5.944 3.319 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.659 -7.134 3.541 1.00 0.00 O ATOM 1188 ND2 ASN A 77 14.622 -5.025 4.237 1.00 0.00 N ATOM 0 H ASN A 77 15.106 -4.637 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 77 14.030 -6.919 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.271 -5.935 1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.438 -4.409 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.322 -5.296 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.768 -4.041 4.013 1.00 0.00 H new ATOM 1195 N VAL A 78 12.117 -5.346 1.823 1.00 0.00 N ATOM 1196 CA VAL A 78 10.762 -4.826 1.694 1.00 0.00 C ATOM 1197 C VAL A 78 10.195 -4.589 3.091 1.00 0.00 C ATOM 1198 O VAL A 78 9.551 -5.444 3.696 1.00 0.00 O ATOM 1199 CB VAL A 78 9.897 -5.746 0.794 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.930 -4.869 -0.005 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.711 -6.615 -0.180 1.00 0.00 C ATOM 0 H VAL A 78 12.256 -5.987 2.604 1.00 0.00 H new ATOM 0 HA VAL A 78 10.761 -3.864 1.181 1.00 0.00 H new ATOM 0 HB VAL A 78 9.374 -6.437 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.312 -5.499 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.292 -4.312 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.496 -4.171 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.033 -7.229 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.292 -5.973 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.385 -7.260 0.384 1.00 0.00 H new ATOM 1211 N GLU A 79 10.500 -3.420 3.632 1.00 0.00 N ATOM 1212 CA GLU A 79 10.232 -3.032 5.003 1.00 0.00 C ATOM 1213 C GLU A 79 8.836 -2.402 5.017 1.00 0.00 C ATOM 1214 O GLU A 79 8.673 -1.187 5.168 1.00 0.00 O ATOM 1215 CB GLU A 79 11.317 -2.042 5.452 1.00 0.00 C ATOM 1216 CG GLU A 79 12.765 -2.495 5.269 1.00 0.00 C ATOM 1217 CD GLU A 79 13.315 -3.188 6.506 1.00 0.00 C ATOM 1218 OE1 GLU A 79 12.997 -4.383 6.718 1.00 0.00 O ATOM 1219 OE2 GLU A 79 13.972 -2.495 7.315 1.00 0.00 O ATOM 0 H GLU A 79 10.963 -2.683 3.100 1.00 0.00 H new ATOM 0 HA GLU A 79 10.254 -3.876 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.178 -1.110 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.160 -1.817 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.826 -3.173 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.386 -1.631 5.033 1.00 0.00 H new ATOM 1227 N VAL A 80 7.816 -3.214 4.741 1.00 0.00 N ATOM 1228 CA VAL A 80 6.433 -2.764 4.814 1.00 0.00 C ATOM 1229 C VAL A 80 6.042 -2.795 6.295 1.00 0.00 C ATOM 1230 O VAL A 80 5.745 -3.850 6.863 1.00 0.00 O ATOM 1231 CB VAL A 80 5.499 -3.595 3.906 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.142 -2.884 3.755 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.090 -3.790 2.499 1.00 0.00 C ATOM 0 H VAL A 80 7.926 -4.190 4.464 1.00 0.00 H new ATOM 0 HA VAL A 80 6.328 -1.750 4.429 1.00 0.00 H new ATOM 0 HB VAL A 80 5.379 -4.569 4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.490 -3.477 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.680 -2.770 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.294 -1.901 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.401 -4.379 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.244 -2.818 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.044 -4.311 2.574 1.00 0.00 H new ATOM 1243 N GLU A 81 6.093 -1.642 6.948 1.00 0.00 N ATOM 1244 CA GLU A 81 5.750 -1.495 8.351 1.00 0.00 C ATOM 1245 C GLU A 81 4.226 -1.448 8.460 1.00 0.00 C ATOM 1246 O GLU A 81 3.573 -0.930 7.549 1.00 0.00 O ATOM 1247 CB GLU A 81 6.379 -0.181 8.845 1.00 0.00 C ATOM 1248 CG GLU A 81 6.137 0.101 10.331 1.00 0.00 C ATOM 1249 CD GLU A 81 6.740 -1.005 11.187 1.00 0.00 C ATOM 1250 OE1 GLU A 81 7.925 -0.870 11.566 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.071 -2.033 11.434 1.00 0.00 O ATOM 0 H GLU A 81 6.380 -0.768 6.507 1.00 0.00 H new ATOM 0 HA GLU A 81 6.121 -2.322 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.453 -0.212 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.978 0.646 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.578 1.060 10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.067 0.176 10.524 1.00 0.00 H new ATOM 1259 N LEU A 82 3.652 -1.895 9.582 1.00 0.00 N ATOM 1260 CA LEU A 82 2.212 -1.875 9.801 1.00 0.00 C ATOM 1261 C LEU A 82 1.905 -1.048 11.045 1.00 0.00 C ATOM 1262 O LEU A 82 1.713 -1.572 12.147 1.00 0.00 O ATOM 1263 CB LEU A 82 1.668 -3.310 9.840 1.00 0.00 C ATOM 1264 CG LEU A 82 0.145 -3.381 10.032 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.642 -2.545 9.015 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.290 -4.844 9.949 1.00 0.00 C ATOM 0 H LEU A 82 4.181 -2.282 10.364 1.00 0.00 H new ATOM 0 HA LEU A 82 1.694 -1.389 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.934 -3.817 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.154 -3.853 10.650 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.080 -2.956 11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.710 -2.643 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.352 -1.498 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.425 -2.899 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.370 -4.911 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.020 -5.249 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.209 -5.417 10.731 1.00 0.00 H new ATOM 1278 N THR A 83 1.860 0.266 10.858 1.00 0.00 N ATOM 1279 CA THR A 83 1.555 1.240 11.888 1.00 0.00 C ATOM 1280 C THR A 83 0.040 1.252 12.061 1.00 0.00 C ATOM 1281 O THR A 83 -0.682 1.787 11.217 1.00 0.00 O ATOM 1282 CB THR A 83 2.087 2.609 11.445 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.484 2.568 11.244 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.818 3.695 12.482 1.00 0.00 C ATOM 0 H THR A 83 2.042 0.693 9.950 1.00 0.00 H new ATOM 0 HA THR A 83 2.024 0.994 12.841 1.00 0.00 H new ATOM 0 HB THR A 83 1.564 2.844 10.518 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.800 3.451 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.213 4.646 12.124 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.744 3.786 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.305 3.430 13.421 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.455 0.629 13.131 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.891 0.438 13.323 1.00 0.00 C ATOM 1294 C PHE A 84 -2.504 1.434 14.300 1.00 0.00 C ATOM 1295 O PHE A 84 -3.724 1.448 14.472 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.182 -1.005 13.774 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.941 -1.829 12.754 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.070 -1.305 12.087 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.517 -3.137 12.473 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.690 -2.041 11.065 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.173 -3.895 11.494 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.224 -3.329 10.758 1.00 0.00 C ATOM 0 H PHE A 84 0.121 0.247 13.881 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.362 0.622 12.357 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.238 -1.502 13.997 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.754 -0.976 14.701 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.457 -0.336 12.364 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.683 -3.560 13.013 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.520 -1.619 10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.869 -4.914 11.306 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.677 -3.887 9.951 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.687 2.247 14.972 1.00 0.00 N ATOM 1313 CA ASP A 85 -2.173 3.228 15.935 1.00 0.00 C ATOM 1314 C ASP A 85 -3.103 4.285 15.334 1.00 0.00 C ATOM 1315 O ASP A 85 -4.196 4.469 15.879 1.00 0.00 O ATOM 1316 CB ASP A 85 -1.039 3.890 16.732 1.00 0.00 C ATOM 1317 CG ASP A 85 -1.239 3.783 18.257 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -2.405 3.708 18.717 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -0.223 3.806 18.985 1.00 0.00 O ATOM 0 H ASP A 85 -0.673 2.242 14.862 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.777 2.644 16.630 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.091 3.425 16.461 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.970 4.941 16.452 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.713 5.014 14.269 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.389 6.258 13.956 1.00 0.00 C ATOM 1327 C PRO A 86 -4.707 6.023 13.193 1.00 0.00 C ATOM 1328 O PRO A 86 -4.867 5.017 12.497 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.377 7.080 13.160 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.565 6.012 12.433 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.538 4.854 13.424 1.00 0.00 C ATOM 0 HA PRO A 86 -3.697 6.789 14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.868 7.759 12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.751 7.690 13.811 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.032 5.724 11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.560 6.362 12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.560 3.896 12.904 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.625 4.872 14.019 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.676 6.950 13.284 1.00 0.00 N ATOM 1340 CA PRO A 87 -7.003 6.785 12.711 1.00 0.00 C ATOM 1341 C PRO A 87 -6.970 7.146 11.227 1.00 0.00 C ATOM 1342 O PRO A 87 -7.170 8.307 10.867 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.902 7.698 13.541 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.978 8.847 13.950 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.599 8.192 14.034 1.00 0.00 C ATOM 0 HA PRO A 87 -7.376 5.761 12.748 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.753 8.056 12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.305 7.179 14.411 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.994 9.654 13.217 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.275 9.279 14.906 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.834 8.848 13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.325 8.000 15.071 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.707 6.147 10.387 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.221 6.259 9.006 1.00 0.00 C ATOM 1355 C TRP A 88 -6.860 7.424 8.216 1.00 0.00 C ATOM 1356 O TRP A 88 -6.223 8.472 8.085 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.255 4.862 8.343 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.691 4.768 6.913 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.945 5.053 5.825 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.009 4.407 6.406 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.715 4.900 4.688 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -8.001 4.515 4.988 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.229 4.059 7.020 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.144 4.270 4.213 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.381 3.818 6.252 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.337 3.910 4.850 1.00 0.00 C ATOM 0 H TRP A 88 -6.835 5.174 10.667 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.175 6.567 9.005 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.255 4.435 8.415 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.916 4.228 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.908 5.354 5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.371 5.054 3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.279 3.976 8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.104 4.358 3.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.308 3.560 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.222 3.703 4.266 1.00 0.00 H new ATOM 1377 N THR A 89 -8.084 7.246 7.698 1.00 0.00 N ATOM 1378 CA THR A 89 -9.131 8.214 7.360 1.00 0.00 C ATOM 1379 C THR A 89 -10.069 7.567 6.319 1.00 0.00 C ATOM 1380 O THR A 89 -9.653 7.372 5.176 1.00 0.00 O ATOM 1381 CB THR A 89 -8.598 9.611 6.955 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.380 10.403 8.108 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.591 10.408 6.118 1.00 0.00 C ATOM 0 H THR A 89 -8.399 6.301 7.480 1.00 0.00 H new ATOM 0 HA THR A 89 -9.705 8.441 8.258 1.00 0.00 H new ATOM 0 HB THR A 89 -7.689 9.416 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.569 10.098 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.159 11.377 5.866 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.816 9.862 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.509 10.557 6.686 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.353 7.297 6.618 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.272 6.695 5.651 1.00 0.00 C ATOM 1393 C PRO A 90 -12.667 7.616 4.491 1.00 0.00 C ATOM 1394 O PRO A 90 -13.349 7.154 3.579 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.472 6.228 6.477 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.519 7.239 7.622 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.042 7.552 7.875 1.00 0.00 C ATOM 0 HA PRO A 90 -11.788 5.868 5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.392 6.238 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.338 5.210 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.078 8.133 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.999 6.822 8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.911 8.588 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.642 6.926 8.672 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.252 8.887 4.485 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.480 9.779 3.343 1.00 0.00 C ATOM 1407 C GLU A 91 -11.340 9.695 2.314 1.00 0.00 C ATOM 1408 O GLU A 91 -11.454 10.295 1.243 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.775 11.221 3.808 1.00 0.00 C ATOM 1410 CG GLU A 91 -11.529 12.123 3.923 1.00 0.00 C ATOM 1411 CD GLU A 91 -11.569 13.141 5.071 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -12.111 12.813 6.153 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -11.033 14.259 4.887 1.00 0.00 O ATOM 0 H GLU A 91 -11.754 9.323 5.262 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.374 9.435 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.476 11.678 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.271 11.182 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.651 11.490 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.401 12.662 2.984 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.247 8.960 2.608 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.090 8.836 1.709 1.00 0.00 C ATOM 1423 C ARG A 92 -9.529 8.295 0.346 1.00 0.00 C ATOM 1424 O ARG A 92 -8.996 8.704 -0.683 1.00 0.00 O ATOM 1425 CB ARG A 92 -8.026 7.881 2.301 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.240 8.353 3.545 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.766 8.742 3.307 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.577 10.199 3.284 1.00 0.00 N ATOM 1429 CZ ARG A 92 -6.013 11.006 2.318 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -6.287 10.542 1.098 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -6.198 12.287 2.574 1.00 0.00 N ATOM 0 H ARG A 92 -10.146 8.437 3.478 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.657 9.830 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.522 6.944 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.305 7.657 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.757 9.212 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.270 7.559 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.146 8.309 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.427 8.318 2.362 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.076 10.623 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.164 9.551 0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.620 11.178 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.007 12.653 3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.532 12.911 1.839 1.00 0.00 H new ATOM 1445 N MET A 93 -10.501 7.387 0.360 1.00 0.00 N ATOM 1446 CA MET A 93 -11.129 6.738 -0.782 1.00 0.00 C ATOM 1447 C MET A 93 -11.730 7.739 -1.774 1.00 0.00 C ATOM 1448 O MET A 93 -12.045 8.878 -1.423 1.00 0.00 O ATOM 1449 CB MET A 93 -12.238 5.824 -0.235 1.00 0.00 C ATOM 1450 CG MET A 93 -11.659 4.672 0.590 1.00 0.00 C ATOM 1451 SD MET A 93 -12.767 3.257 0.857 1.00 0.00 S ATOM 1452 CE MET A 93 -14.232 4.084 1.523 1.00 0.00 C ATOM 0 H MET A 93 -10.900 7.062 1.241 1.00 0.00 H new ATOM 0 HA MET A 93 -10.371 6.177 -1.329 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.921 6.408 0.382 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.822 5.422 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.756 4.314 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.357 5.062 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.954 3.336 1.852 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.944 4.708 2.369 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.682 4.706 0.749 1.00 0.00 H new ATOM 1462 N SER A 94 -12.002 7.295 -3.003 1.00 0.00 N ATOM 1463 CA SER A 94 -12.833 8.055 -3.929 1.00 0.00 C ATOM 1464 C SER A 94 -14.220 8.335 -3.325 1.00 0.00 C ATOM 1465 O SER A 94 -14.737 7.499 -2.580 1.00 0.00 O ATOM 1466 CB SER A 94 -13.011 7.254 -5.217 1.00 0.00 C ATOM 1467 OG SER A 94 -11.778 7.138 -5.903 1.00 0.00 O ATOM 0 H SER A 94 -11.657 6.411 -3.377 1.00 0.00 H new ATOM 0 HA SER A 94 -12.340 9.006 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.399 6.262 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.746 7.742 -5.857 1.00 0.00 H new ATOM 0 HG SER A 94 -11.908 6.621 -6.725 1.00 0.00 H new ATOM 1473 N PRO A 95 -14.887 9.439 -3.690 1.00 0.00 N ATOM 1474 CA PRO A 95 -16.253 9.725 -3.252 1.00 0.00 C ATOM 1475 C PRO A 95 -17.262 8.729 -3.837 1.00 0.00 C ATOM 1476 O PRO A 95 -18.252 8.405 -3.185 1.00 0.00 O ATOM 1477 CB PRO A 95 -16.512 11.162 -3.712 1.00 0.00 C ATOM 1478 CG PRO A 95 -15.610 11.330 -4.932 1.00 0.00 C ATOM 1479 CD PRO A 95 -14.391 10.497 -4.556 1.00 0.00 C ATOM 0 HA PRO A 95 -16.370 9.622 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.560 11.316 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.265 11.881 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.086 10.965 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.351 12.375 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.911 10.084 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.645 11.104 -4.044 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.976 8.141 -5.004 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.799 7.089 -5.582 1.00 0.00 C ATOM 1489 C GLU A 96 -17.804 5.850 -4.695 1.00 0.00 C ATOM 1490 O GLU A 96 -18.752 5.067 -4.767 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.285 6.718 -6.981 1.00 0.00 C ATOM 1492 CG GLU A 96 -18.058 7.481 -8.058 1.00 0.00 C ATOM 1493 CD GLU A 96 -17.586 7.114 -9.462 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -18.420 6.759 -10.324 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -16.374 7.250 -9.756 1.00 0.00 O ATOM 0 H GLU A 96 -16.164 8.386 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.819 7.466 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.222 6.948 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.391 5.645 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -19.122 7.264 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.936 8.553 -7.902 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.778 5.654 -3.858 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.774 4.545 -2.918 1.00 0.00 C ATOM 1505 C LEU A 97 -17.671 4.812 -1.714 1.00 0.00 C ATOM 1506 O LEU A 97 -18.174 3.858 -1.130 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.364 4.171 -2.446 1.00 0.00 C ATOM 1508 CG LEU A 97 -14.486 3.493 -3.511 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.157 3.095 -2.864 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.145 2.258 -4.125 1.00 0.00 C ATOM 0 H LEU A 97 -15.950 6.248 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.176 3.695 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.860 5.074 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.448 3.505 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.334 4.205 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.521 2.612 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.657 3.985 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.345 2.404 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.479 1.822 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.344 1.525 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.083 2.545 -4.601 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.922 6.075 -1.355 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.923 6.408 -0.348 1.00 0.00 C ATOM 1524 C ARG A 98 -20.297 6.056 -0.906 1.00 0.00 C ATOM 1525 O ARG A 98 -20.983 5.218 -0.339 1.00 0.00 O ATOM 1526 CB ARG A 98 -18.823 7.880 0.080 1.00 0.00 C ATOM 1527 CG ARG A 98 -17.461 8.242 0.694 1.00 0.00 C ATOM 1528 CD ARG A 98 -17.453 9.649 1.326 1.00 0.00 C ATOM 1529 NE ARG A 98 -17.562 9.603 2.797 1.00 0.00 N ATOM 1530 CZ ARG A 98 -18.666 9.382 3.523 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -19.866 9.396 2.970 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -18.564 9.153 4.818 1.00 0.00 N ATOM 0 H ARG A 98 -17.442 6.883 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.748 5.827 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.004 8.516 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.609 8.095 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -17.201 7.505 1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -16.693 8.189 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -16.534 10.164 1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.280 10.232 0.921 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.700 9.757 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -19.965 9.578 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.693 9.225 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.647 9.145 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.403 8.984 5.374 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.641 6.582 -2.078 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.875 6.335 -2.801 1.00 0.00 C ATOM 1548 C GLU A 99 -22.088 4.836 -3.080 1.00 0.00 C ATOM 1549 O GLU A 99 -23.225 4.383 -3.199 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.746 7.198 -4.062 1.00 0.00 C ATOM 1551 CG GLU A 99 -22.695 6.932 -5.227 1.00 0.00 C ATOM 1552 CD GLU A 99 -24.041 7.663 -5.154 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -24.637 7.880 -6.236 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -24.521 8.038 -4.058 1.00 0.00 O ATOM 0 H GLU A 99 -20.027 7.229 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.767 6.605 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.870 8.239 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.727 7.091 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.196 7.216 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.885 5.860 -5.283 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.018 4.047 -3.205 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.056 2.592 -3.308 1.00 0.00 C ATOM 1564 C LYS A 100 -21.307 1.966 -1.942 1.00 0.00 C ATOM 1565 O LYS A 100 -22.377 1.386 -1.745 1.00 0.00 O ATOM 1566 CB LYS A 100 -19.753 2.113 -3.959 1.00 0.00 C ATOM 1567 CG LYS A 100 -19.647 0.599 -4.185 1.00 0.00 C ATOM 1568 CD LYS A 100 -18.360 0.363 -4.987 1.00 0.00 C ATOM 1569 CE LYS A 100 -17.869 -1.082 -5.021 1.00 0.00 C ATOM 1570 NZ LYS A 100 -18.799 -1.990 -5.719 1.00 0.00 N ATOM 0 H LYS A 100 -20.069 4.420 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 100 -21.885 2.273 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.641 2.615 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -18.917 2.429 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -19.614 0.067 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -20.516 0.227 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.523 0.698 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.571 0.988 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.897 -1.118 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.723 -1.435 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.413 -2.956 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.720 -1.981 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.920 -1.674 -6.703 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.306 2.011 -1.062 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.256 1.200 0.141 1.00 0.00 C ATOM 1586 C PHE A 101 -21.173 1.712 1.244 1.00 0.00 C ATOM 1587 O PHE A 101 -21.688 0.903 2.025 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.828 1.194 0.695 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.726 0.659 -0.196 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.932 -0.461 -1.026 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -16.441 1.220 -0.097 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -16.846 -1.043 -1.701 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -15.363 0.655 -0.796 1.00 0.00 C ATOM 1594 CZ PHE A 101 -15.565 -0.478 -1.598 1.00 0.00 C ATOM 0 H PHE A 101 -19.498 2.623 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.587 0.202 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.571 2.217 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.828 0.609 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.924 -0.872 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -16.282 2.091 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -16.997 -1.928 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.379 1.092 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.736 -0.915 -2.135 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.305 3.033 1.352 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.025 3.738 2.390 1.00 0.00 C ATOM 1606 C GLY A 102 -21.108 4.750 3.075 1.00 0.00 C ATOM 1607 O GLY A 102 -21.314 5.953 2.946 1.00 0.00 O ATOM 0 H GLY A 102 -20.885 3.669 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.887 4.249 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.408 3.028 3.124 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.065 4.252 3.740 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.149 4.965 4.624 1.00 0.00 C ATOM 1613 C VAL A 103 -19.928 5.774 5.667 1.00 0.00 C ATOM 1614 O VAL A 103 -20.351 5.145 6.662 1.00 0.00 O ATOM 1615 CB VAL A 103 -18.076 5.694 3.800 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.943 6.164 4.711 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.407 4.763 2.769 1.00 0.00 C ATOM 0 H VAL A 103 -19.822 3.264 3.667 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.565 4.280 5.239 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.587 6.519 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.188 6.679 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.340 6.846 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.491 5.303 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.656 5.320 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.931 3.930 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.161 4.380 2.082 1.00 0.00 H new TER 1627 VAL A 103