USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 59 SER OG : rot -98:sc= 1.37 USER MOD Set 1.2: A 74 CYS SG : rot -31:sc= 1.04 USER MOD Set 2.1: A 11 THR OG1 : rot 66:sc= 0.14 USER MOD Set 2.2: A 39 ASN : amide:sc= 0.957 K(o=1.1,f=-0.35) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0561 (180deg=-0.144) USER MOD Single : A 2 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.0029) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.0083 (180deg=-0.139) USER MOD Single : A 5 MET CE :methyl -168:sc=-0.00585 (180deg=-0.213) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -38:sc= 0.0548 USER MOD Single : A 20 GLN : amide:sc= 1.14 K(o=1.1,f=-0.44) USER MOD Single : A 21 GLN : amide:sc= -0.528 K(o=-0.53,f=-4.5!) USER MOD Single : A 26 SER OG : rot 25:sc= 0.118 USER MOD Single : A 27 SER OG : rot -48:sc= 0.0118 USER MOD Single : A 28 SER OG : rot 160:sc= 0.429 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 34 CYS SG : rot -160:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.23) USER MOD Single : A 38 HIS : +bothHN:sc= -0.794 K(o=-0.79,f=-7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -141:sc= -0.304 (180deg=-1.3) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 164:sc= -0.0415 (180deg=-0.354) USER MOD Single : A 65 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.1) USER MOD Single : A 71 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.31) USER MOD Single : A 77 MET CE :methyl 174:sc= 0 (180deg=-0.051) USER MOD Single : A 80 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.043) USER MOD Single : A 83 THR OG1 : rot -21:sc= 0.561 USER MOD Single : A 85 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.407 -1.335 8.732 1.00 0.00 N ATOM 2 CA GLY A 1 -15.410 -2.665 9.347 1.00 0.00 C ATOM 3 C GLY A 1 -15.053 -3.754 8.350 1.00 0.00 C ATOM 4 O GLY A 1 -14.395 -3.490 7.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.826 -0.689 9.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.012 -1.397 7.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.381 -0.973 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.700 -2.684 10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.395 -2.868 9.768 1.00 0.00 H new ATOM 8 N HIS A 2 -15.518 -4.986 8.611 1.00 0.00 N ATOM 9 CA HIS A 2 -15.295 -6.162 7.766 1.00 0.00 C ATOM 10 C HIS A 2 -15.634 -5.871 6.304 1.00 0.00 C ATOM 11 O HIS A 2 -14.884 -6.296 5.429 1.00 0.00 O ATOM 12 CB HIS A 2 -16.088 -7.380 8.285 1.00 0.00 C ATOM 13 CG HIS A 2 -15.483 -8.064 9.493 1.00 0.00 C ATOM 14 ND1 HIS A 2 -16.161 -8.571 10.588 1.00 0.00 N ATOM 15 CD2 HIS A 2 -14.171 -8.425 9.621 1.00 0.00 C ATOM 16 CE1 HIS A 2 -15.270 -9.213 11.367 1.00 0.00 C ATOM 17 NE2 HIS A 2 -14.050 -9.137 10.800 1.00 0.00 N ATOM 0 H HIS A 2 -16.075 -5.194 9.440 1.00 0.00 H new ATOM 0 HA HIS A 2 -14.234 -6.406 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -17.099 -7.058 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -16.176 -8.108 7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -13.375 -8.196 8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -15.497 -9.710 12.299 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.189 -9.535 11.175 1.00 0.00 H new ATOM 26 N SER A 3 -16.689 -5.097 6.055 1.00 0.00 N ATOM 27 CA SER A 3 -16.864 -4.370 4.805 1.00 0.00 C ATOM 28 C SER A 3 -17.027 -2.881 5.131 1.00 0.00 C ATOM 29 O SER A 3 -17.406 -2.534 6.263 1.00 0.00 O ATOM 30 CB SER A 3 -18.067 -4.925 4.037 1.00 0.00 C ATOM 31 OG SER A 3 -18.029 -6.336 3.949 1.00 0.00 O ATOM 0 H SER A 3 -17.449 -4.958 6.721 1.00 0.00 H new ATOM 0 HA SER A 3 -15.993 -4.494 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.988 -4.616 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.086 -4.499 3.034 1.00 0.00 H new ATOM 0 HG SER A 3 -18.813 -6.654 3.454 1.00 0.00 H new ATOM 37 N LYS A 4 -16.754 -2.000 4.166 1.00 0.00 N ATOM 38 CA LYS A 4 -16.984 -0.550 4.236 1.00 0.00 C ATOM 39 C LYS A 4 -16.984 0.107 2.847 1.00 0.00 C ATOM 40 O LYS A 4 -17.668 1.111 2.663 1.00 0.00 O ATOM 41 CB LYS A 4 -15.980 0.126 5.201 1.00 0.00 C ATOM 42 CG LYS A 4 -14.505 -0.029 4.834 1.00 0.00 C ATOM 43 CD LYS A 4 -13.978 1.159 4.031 1.00 0.00 C ATOM 44 CE LYS A 4 -13.235 2.243 4.817 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.899 2.711 6.042 1.00 0.00 N ATOM 0 H LYS A 4 -16.349 -2.287 3.275 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.984 -0.398 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.213 1.190 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.132 -0.283 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.916 -0.139 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.371 -0.943 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.309 0.779 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.820 1.626 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.249 1.862 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.079 3.099 4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.251 3.326 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.755 3.246 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.162 1.893 6.629 1.00 0.00 H new ATOM 59 N MET A 5 -16.241 -0.435 1.875 1.00 0.00 N ATOM 60 CA MET A 5 -16.079 0.130 0.540 1.00 0.00 C ATOM 61 C MET A 5 -16.221 -1.024 -0.458 1.00 0.00 C ATOM 62 O MET A 5 -15.237 -1.498 -1.032 1.00 0.00 O ATOM 63 CB MET A 5 -14.727 0.886 0.441 1.00 0.00 C ATOM 64 CG MET A 5 -14.865 2.281 -0.160 1.00 0.00 C ATOM 65 SD MET A 5 -15.609 3.499 0.954 1.00 0.00 S ATOM 66 CE MET A 5 -15.282 4.951 -0.071 1.00 0.00 C ATOM 0 H MET A 5 -15.723 -1.304 2.004 1.00 0.00 H new ATOM 0 HA MET A 5 -16.841 0.876 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 5 -14.289 0.967 1.436 1.00 0.00 H new ATOM 0 HB3 MET A 5 -14.035 0.302 -0.166 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.878 2.634 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 5 -15.469 2.216 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 5 -15.465 5.855 0.510 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.244 4.936 -0.402 1.00 0.00 H new ATOM 0 HE3 MET A 5 -15.940 4.939 -0.940 1.00 0.00 H new ATOM 76 N SER A 6 -17.424 -1.565 -0.618 1.00 0.00 N ATOM 77 CA SER A 6 -17.723 -2.541 -1.655 1.00 0.00 C ATOM 78 C SER A 6 -17.860 -1.788 -2.974 1.00 0.00 C ATOM 79 O SER A 6 -18.843 -1.078 -3.171 1.00 0.00 O ATOM 80 CB SER A 6 -18.947 -3.373 -1.287 1.00 0.00 C ATOM 81 OG SER A 6 -19.932 -2.646 -0.572 1.00 0.00 O ATOM 0 H SER A 6 -18.223 -1.336 -0.027 1.00 0.00 H new ATOM 0 HA SER A 6 -16.917 -3.267 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.392 -3.772 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.630 -4.226 -0.687 1.00 0.00 H new ATOM 0 HG SER A 6 -20.689 -3.234 -0.368 1.00 0.00 H new ATOM 87 N ASP A 7 -16.826 -1.909 -3.810 1.00 0.00 N ATOM 88 CA ASP A 7 -16.600 -1.209 -5.069 1.00 0.00 C ATOM 89 C ASP A 7 -16.802 0.302 -5.095 1.00 0.00 C ATOM 90 O ASP A 7 -17.910 0.825 -5.005 1.00 0.00 O ATOM 91 CB ASP A 7 -17.157 -1.917 -6.279 1.00 0.00 C ATOM 92 CG ASP A 7 -16.097 -2.728 -7.000 1.00 0.00 C ATOM 93 OD1 ASP A 7 -15.871 -3.902 -6.640 1.00 0.00 O ATOM 94 OD2 ASP A 7 -15.494 -2.159 -7.936 1.00 0.00 O ATOM 0 H ASP A 7 -16.064 -2.554 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.515 -1.278 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.970 -2.575 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.582 -1.184 -6.965 1.00 0.00 H new ATOM 99 N VAL A 8 -15.712 1.020 -5.330 1.00 0.00 N ATOM 100 CA VAL A 8 -15.644 2.465 -5.487 1.00 0.00 C ATOM 101 C VAL A 8 -14.956 2.771 -6.819 1.00 0.00 C ATOM 102 O VAL A 8 -14.320 3.811 -6.989 1.00 0.00 O ATOM 103 CB VAL A 8 -15.003 3.056 -4.203 1.00 0.00 C ATOM 104 CG1 VAL A 8 -13.472 2.932 -4.134 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.426 4.510 -3.959 1.00 0.00 C ATOM 0 H VAL A 8 -14.796 0.581 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.614 2.955 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.397 2.431 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.113 3.371 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.190 1.880 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.026 3.457 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.952 4.879 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.118 5.125 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.509 4.560 -3.850 1.00 0.00 H new ATOM 115 N LYS A 9 -15.064 1.826 -7.767 1.00 0.00 N ATOM 116 CA LYS A 9 -14.566 1.841 -9.138 1.00 0.00 C ATOM 117 C LYS A 9 -13.070 1.576 -9.159 1.00 0.00 C ATOM 118 O LYS A 9 -12.606 0.587 -9.716 1.00 0.00 O ATOM 119 CB LYS A 9 -14.931 3.144 -9.852 1.00 0.00 C ATOM 120 CG LYS A 9 -16.452 3.357 -9.797 1.00 0.00 C ATOM 121 CD LYS A 9 -16.998 3.589 -11.204 1.00 0.00 C ATOM 122 CE LYS A 9 -18.428 3.089 -11.300 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.063 3.476 -12.580 1.00 0.00 N ATOM 0 H LYS A 9 -15.550 0.952 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.053 1.038 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.419 3.983 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.597 3.108 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.933 2.487 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.685 4.212 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.959 4.651 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.375 3.072 -11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.440 2.003 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.010 3.491 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.038 3.116 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.074 4.513 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.523 3.072 -13.372 1.00 0.00 H new ATOM 137 N CYS A 10 -12.312 2.445 -8.496 1.00 0.00 N ATOM 138 CA CYS A 10 -10.867 2.400 -8.450 1.00 0.00 C ATOM 139 C CYS A 10 -10.316 1.383 -7.435 1.00 0.00 C ATOM 140 O CYS A 10 -9.094 1.226 -7.380 1.00 0.00 O ATOM 141 CB CYS A 10 -10.370 3.827 -8.189 1.00 0.00 C ATOM 142 SG CYS A 10 -11.056 4.517 -6.659 1.00 0.00 S ATOM 0 H CYS A 10 -12.705 3.220 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.487 2.040 -9.406 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.282 3.827 -8.130 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.644 4.465 -9.029 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.602 5.723 -6.485 1.00 0.00 H new ATOM 148 N THR A 11 -11.191 0.701 -6.674 1.00 0.00 N ATOM 149 CA THR A 11 -10.925 -0.187 -5.533 1.00 0.00 C ATOM 150 C THR A 11 -9.523 -0.797 -5.575 1.00 0.00 C ATOM 151 O THR A 11 -8.626 -0.335 -4.862 1.00 0.00 O ATOM 152 CB THR A 11 -12.079 -1.202 -5.359 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.888 -2.062 -4.255 1.00 0.00 O ATOM 154 CG2 THR A 11 -12.466 -2.041 -6.583 1.00 0.00 C ATOM 0 H THR A 11 -12.192 0.765 -6.861 1.00 0.00 H new ATOM 0 HA THR A 11 -10.911 0.409 -4.620 1.00 0.00 H new ATOM 0 HB THR A 11 -12.922 -0.533 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.926 -1.542 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.287 -2.709 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.779 -1.381 -7.392 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.608 -2.630 -6.907 1.00 0.00 H new ATOM 162 N SER A 12 -9.287 -1.770 -6.453 1.00 0.00 N ATOM 163 CA SER A 12 -8.002 -2.417 -6.613 1.00 0.00 C ATOM 164 C SER A 12 -7.484 -2.218 -8.032 1.00 0.00 C ATOM 165 O SER A 12 -6.756 -3.066 -8.534 1.00 0.00 O ATOM 166 CB SER A 12 -8.194 -3.898 -6.257 1.00 0.00 C ATOM 167 OG SER A 12 -9.256 -4.451 -7.006 1.00 0.00 O ATOM 0 H SER A 12 -10.003 -2.132 -7.082 1.00 0.00 H new ATOM 0 HA SER A 12 -7.249 -1.984 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.275 -4.449 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.401 -3.999 -5.192 1.00 0.00 H new ATOM 0 HG SER A 12 -9.366 -5.396 -6.770 1.00 0.00 H new ATOM 173 N VAL A 13 -7.708 -1.045 -8.626 1.00 0.00 N ATOM 174 CA VAL A 13 -7.001 -0.651 -9.840 1.00 0.00 C ATOM 175 C VAL A 13 -5.803 0.175 -9.376 1.00 0.00 C ATOM 176 O VAL A 13 -4.665 -0.176 -9.662 1.00 0.00 O ATOM 177 CB VAL A 13 -7.933 0.007 -10.891 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.296 -0.705 -10.972 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.164 1.512 -10.726 1.00 0.00 C ATOM 0 H VAL A 13 -8.374 -0.353 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.630 -1.507 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.380 -0.115 -11.822 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.919 -0.214 -11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.146 -1.747 -11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.789 -0.658 -10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.830 1.866 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.616 1.706 -9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.211 2.036 -10.794 1.00 0.00 H new ATOM 189 N VAL A 14 -6.053 1.172 -8.518 1.00 0.00 N ATOM 190 CA VAL A 14 -5.094 2.138 -8.025 1.00 0.00 C ATOM 191 C VAL A 14 -3.865 1.434 -7.467 1.00 0.00 C ATOM 192 O VAL A 14 -2.787 1.563 -8.032 1.00 0.00 O ATOM 193 CB VAL A 14 -5.821 3.033 -7.005 1.00 0.00 C ATOM 194 CG1 VAL A 14 -4.871 3.831 -6.128 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.744 4.019 -7.713 1.00 0.00 C ATOM 0 H VAL A 14 -6.986 1.325 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.714 2.774 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.389 2.352 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.445 4.441 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.231 3.148 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.255 4.477 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.248 4.641 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.158 4.651 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.487 3.470 -8.292 1.00 0.00 H new ATOM 205 N LEU A 15 -3.987 0.690 -6.362 1.00 0.00 N ATOM 206 CA LEU A 15 -2.778 0.221 -5.689 1.00 0.00 C ATOM 207 C LEU A 15 -2.057 -0.839 -6.532 1.00 0.00 C ATOM 208 O LEU A 15 -0.827 -0.924 -6.497 1.00 0.00 O ATOM 209 CB LEU A 15 -3.107 -0.255 -4.266 1.00 0.00 C ATOM 210 CG LEU A 15 -1.863 -0.400 -3.372 1.00 0.00 C ATOM 211 CD1 LEU A 15 -1.081 0.913 -3.216 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.237 -0.865 -1.965 1.00 0.00 C ATOM 0 H LEU A 15 -4.869 0.411 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.079 1.051 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.798 0.451 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.621 -1.215 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.240 -1.138 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.215 0.747 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.747 1.256 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.725 1.669 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.335 -0.957 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.908 -0.138 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.736 -1.833 -2.022 1.00 0.00 H new ATOM 224 N LEU A 16 -2.814 -1.584 -7.346 1.00 0.00 N ATOM 225 CA LEU A 16 -2.276 -2.519 -8.333 1.00 0.00 C ATOM 226 C LEU A 16 -1.625 -1.829 -9.542 1.00 0.00 C ATOM 227 O LEU A 16 -1.002 -2.509 -10.354 1.00 0.00 O ATOM 228 CB LEU A 16 -3.355 -3.503 -8.825 1.00 0.00 C ATOM 229 CG LEU A 16 -3.885 -4.538 -7.809 1.00 0.00 C ATOM 230 CD1 LEU A 16 -4.707 -5.613 -8.525 1.00 0.00 C ATOM 231 CD2 LEU A 16 -2.788 -5.276 -7.046 1.00 0.00 C ATOM 0 H LEU A 16 -3.833 -1.551 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.492 -3.066 -7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.203 -2.921 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.952 -4.045 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.477 -3.956 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.074 -6.336 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.552 -5.147 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.081 -6.122 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.241 -5.985 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.153 -5.813 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.186 -4.558 -6.489 1.00 0.00 H new ATOM 243 N SER A 17 -1.734 -0.508 -9.651 1.00 0.00 N ATOM 244 CA SER A 17 -1.155 0.331 -10.692 1.00 0.00 C ATOM 245 C SER A 17 -0.190 1.387 -10.108 1.00 0.00 C ATOM 246 O SER A 17 0.405 2.171 -10.845 1.00 0.00 O ATOM 247 CB SER A 17 -2.314 0.945 -11.492 1.00 0.00 C ATOM 248 OG SER A 17 -1.884 1.489 -12.720 1.00 0.00 O ATOM 0 H SER A 17 -2.263 0.038 -8.971 1.00 0.00 H new ATOM 0 HA SER A 17 -0.536 -0.264 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.069 0.181 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.790 1.725 -10.898 1.00 0.00 H new ATOM 0 HG SER A 17 -1.014 1.924 -12.598 1.00 0.00 H new ATOM 254 N VAL A 18 0.007 1.427 -8.783 1.00 0.00 N ATOM 255 CA VAL A 18 0.897 2.390 -8.122 1.00 0.00 C ATOM 256 C VAL A 18 2.012 1.699 -7.333 1.00 0.00 C ATOM 257 O VAL A 18 3.092 2.273 -7.201 1.00 0.00 O ATOM 258 CB VAL A 18 0.064 3.384 -7.279 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.933 4.372 -6.476 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.870 4.216 -8.174 1.00 0.00 C ATOM 0 H VAL A 18 -0.451 0.786 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 18 1.417 2.970 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.504 2.765 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.290 5.042 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.576 3.818 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.548 4.955 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.445 4.907 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.277 4.780 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.551 3.552 -8.706 1.00 0.00 H new ATOM 270 N LEU A 19 1.790 0.492 -6.800 1.00 0.00 N ATOM 271 CA LEU A 19 2.775 -0.197 -5.963 1.00 0.00 C ATOM 272 C LEU A 19 3.356 -1.358 -6.751 1.00 0.00 C ATOM 273 O LEU A 19 4.469 -1.264 -7.268 1.00 0.00 O ATOM 274 CB LEU A 19 2.147 -0.588 -4.606 1.00 0.00 C ATOM 275 CG LEU A 19 2.603 0.271 -3.424 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.013 -0.082 -2.959 1.00 0.00 C ATOM 277 CD2 LEU A 19 2.506 1.778 -3.700 1.00 0.00 C ATOM 0 H LEU A 19 0.925 -0.032 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 19 3.608 0.458 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.062 -0.522 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.388 -1.630 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 19 1.905 0.036 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.289 0.555 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.043 -1.126 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.716 0.072 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.844 2.331 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.134 2.033 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.471 2.042 -3.919 1.00 0.00 H new ATOM 289 N GLN A 20 2.567 -2.415 -6.938 1.00 0.00 N ATOM 290 CA GLN A 20 2.938 -3.578 -7.722 1.00 0.00 C ATOM 291 C GLN A 20 3.295 -3.265 -9.172 1.00 0.00 C ATOM 292 O GLN A 20 3.872 -4.123 -9.824 1.00 0.00 O ATOM 293 CB GLN A 20 1.807 -4.598 -7.594 1.00 0.00 C ATOM 294 CG GLN A 20 0.748 -4.628 -8.689 1.00 0.00 C ATOM 295 CD GLN A 20 0.815 -5.835 -9.622 1.00 0.00 C ATOM 296 OE1 GLN A 20 -0.155 -6.575 -9.729 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.903 -6.040 -10.343 1.00 0.00 N ATOM 0 H GLN A 20 1.632 -2.482 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 20 3.865 -3.991 -7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.256 -5.590 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.302 -4.420 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.236 -4.604 -8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.840 -3.721 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.705 -5.417 -10.245 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.941 -6.821 -10.997 1.00 0.00 H new ATOM 306 N GLN A 21 2.962 -2.056 -9.636 1.00 0.00 N ATOM 307 CA GLN A 21 3.223 -1.490 -10.956 1.00 0.00 C ATOM 308 C GLN A 21 4.563 -1.945 -11.527 1.00 0.00 C ATOM 309 O GLN A 21 4.647 -2.201 -12.720 1.00 0.00 O ATOM 310 CB GLN A 21 3.146 0.044 -10.848 1.00 0.00 C ATOM 311 CG GLN A 21 3.217 0.782 -12.197 1.00 0.00 C ATOM 312 CD GLN A 21 1.959 0.672 -13.062 1.00 0.00 C ATOM 313 OE1 GLN A 21 1.215 -0.300 -12.995 1.00 0.00 O ATOM 314 NE2 GLN A 21 1.700 1.644 -13.917 1.00 0.00 N ATOM 0 H GLN A 21 2.460 -1.395 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 21 2.468 -1.851 -11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.216 0.314 -10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.961 0.393 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.418 1.836 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.064 0.393 -12.763 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.319 2.453 -13.973 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.881 1.586 -14.522 1.00 0.00 H new ATOM 323 N LEU A 22 5.586 -2.051 -10.672 1.00 0.00 N ATOM 324 CA LEU A 22 6.756 -2.892 -10.910 1.00 0.00 C ATOM 325 C LEU A 22 7.196 -3.641 -9.645 1.00 0.00 C ATOM 326 O LEU A 22 7.838 -4.679 -9.759 1.00 0.00 O ATOM 327 CB LEU A 22 7.909 -2.051 -11.468 1.00 0.00 C ATOM 328 CG LEU A 22 7.728 -1.805 -12.983 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.313 -0.363 -13.284 1.00 0.00 C ATOM 330 CD2 LEU A 22 9.001 -2.195 -13.714 1.00 0.00 C ATOM 0 H LEU A 22 5.622 -1.548 -9.786 1.00 0.00 H new ATOM 0 HA LEU A 22 6.475 -3.645 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.956 -1.097 -10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.856 -2.560 -11.289 1.00 0.00 H new ATOM 0 HG LEU A 22 6.913 -2.432 -13.343 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.197 -0.235 -14.360 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.367 -0.146 -12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.079 0.320 -12.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.874 -2.022 -14.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.831 -1.593 -13.345 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.212 -3.250 -13.540 1.00 0.00 H new ATOM 342 N ARG A 23 6.915 -3.127 -8.438 1.00 0.00 N ATOM 343 CA ARG A 23 7.701 -3.462 -7.245 1.00 0.00 C ATOM 344 C ARG A 23 7.505 -4.876 -6.709 1.00 0.00 C ATOM 345 O ARG A 23 8.485 -5.498 -6.299 1.00 0.00 O ATOM 346 CB ARG A 23 7.358 -2.478 -6.130 1.00 0.00 C ATOM 347 CG ARG A 23 7.754 -1.032 -6.445 1.00 0.00 C ATOM 348 CD ARG A 23 7.103 -0.165 -5.375 1.00 0.00 C ATOM 349 NE ARG A 23 7.694 1.185 -5.281 1.00 0.00 N ATOM 350 CZ ARG A 23 7.263 2.185 -4.497 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.090 2.103 -3.886 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.009 3.259 -4.284 1.00 0.00 N ATOM 0 H ARG A 23 6.148 -2.477 -8.264 1.00 0.00 H new ATOM 0 HA ARG A 23 8.742 -3.398 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.286 -2.519 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.858 -2.791 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.838 -0.915 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.413 -0.744 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.038 -0.074 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.193 -0.662 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 23 8.507 1.375 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.507 1.275 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.770 2.868 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.928 3.336 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.664 4.009 -3.685 1.00 0.00 H new ATOM 366 N VAL A 24 6.254 -5.319 -6.625 1.00 0.00 N ATOM 367 CA VAL A 24 5.848 -6.639 -6.143 1.00 0.00 C ATOM 368 C VAL A 24 5.068 -7.355 -7.261 1.00 0.00 C ATOM 369 O VAL A 24 4.931 -6.803 -8.355 1.00 0.00 O ATOM 370 CB VAL A 24 5.099 -6.470 -4.791 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.741 -5.785 -4.948 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.868 -7.752 -3.975 1.00 0.00 C ATOM 0 H VAL A 24 5.459 -4.744 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 24 6.694 -7.289 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 24 5.800 -5.847 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.264 -5.694 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.881 -4.793 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.108 -6.379 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.338 -7.507 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.274 -8.454 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.828 -8.206 -3.730 1.00 0.00 H new ATOM 382 N GLU A 25 4.541 -8.536 -6.941 1.00 0.00 N ATOM 383 CA GLU A 25 3.798 -9.529 -7.715 1.00 0.00 C ATOM 384 C GLU A 25 4.760 -10.610 -8.229 1.00 0.00 C ATOM 385 O GLU A 25 5.615 -10.325 -9.063 1.00 0.00 O ATOM 386 CB GLU A 25 2.945 -8.919 -8.837 1.00 0.00 C ATOM 387 CG GLU A 25 1.585 -9.599 -9.003 1.00 0.00 C ATOM 388 CD GLU A 25 1.652 -11.116 -9.158 1.00 0.00 C ATOM 389 OE1 GLU A 25 1.644 -11.805 -8.106 1.00 0.00 O ATOM 390 OE2 GLU A 25 1.712 -11.605 -10.305 1.00 0.00 O ATOM 0 H GLU A 25 4.643 -8.867 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 25 3.074 -9.994 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.791 -7.860 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.493 -8.985 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.966 -9.362 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.087 -9.179 -9.877 1.00 0.00 H new ATOM 397 N SER A 26 4.642 -11.838 -7.700 1.00 0.00 N ATOM 398 CA SER A 26 5.188 -13.051 -8.305 1.00 0.00 C ATOM 399 C SER A 26 4.191 -14.205 -8.180 1.00 0.00 C ATOM 400 O SER A 26 3.576 -14.556 -9.186 1.00 0.00 O ATOM 401 CB SER A 26 6.568 -13.435 -7.747 1.00 0.00 C ATOM 402 OG SER A 26 7.588 -12.651 -8.333 1.00 0.00 O ATOM 0 H SER A 26 4.153 -12.013 -6.822 1.00 0.00 H new ATOM 0 HA SER A 26 5.345 -12.837 -9.362 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.577 -13.300 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.761 -14.491 -7.938 1.00 0.00 H new ATOM 0 HG SER A 26 7.209 -11.805 -8.650 1.00 0.00 H new ATOM 408 N SER A 27 4.032 -14.828 -7.004 1.00 0.00 N ATOM 409 CA SER A 27 3.146 -15.987 -6.862 1.00 0.00 C ATOM 410 C SER A 27 2.516 -16.090 -5.469 1.00 0.00 C ATOM 411 O SER A 27 2.000 -17.152 -5.128 1.00 0.00 O ATOM 412 CB SER A 27 3.907 -17.274 -7.259 1.00 0.00 C ATOM 413 OG SER A 27 3.037 -18.306 -7.714 1.00 0.00 O ATOM 0 H SER A 27 4.503 -14.549 -6.143 1.00 0.00 H new ATOM 0 HA SER A 27 2.306 -15.854 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.627 -17.039 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.476 -17.635 -6.402 1.00 0.00 H new ATOM 0 HG SER A 27 2.295 -18.411 -7.082 1.00 0.00 H new ATOM 419 N SER A 28 2.534 -15.033 -4.650 1.00 0.00 N ATOM 420 CA SER A 28 2.029 -15.095 -3.284 1.00 0.00 C ATOM 421 C SER A 28 0.720 -14.322 -3.118 1.00 0.00 C ATOM 422 O SER A 28 0.485 -13.302 -3.777 1.00 0.00 O ATOM 423 CB SER A 28 3.087 -14.541 -2.335 1.00 0.00 C ATOM 424 OG SER A 28 2.819 -15.004 -1.031 1.00 0.00 O ATOM 0 H SER A 28 2.898 -14.118 -4.918 1.00 0.00 H new ATOM 0 HA SER A 28 1.818 -16.138 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.080 -14.859 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.079 -13.451 -2.357 1.00 0.00 H new ATOM 0 HG SER A 28 3.631 -14.936 -0.486 1.00 0.00 H new ATOM 430 N LYS A 29 -0.083 -14.747 -2.138 1.00 0.00 N ATOM 431 CA LYS A 29 -1.160 -13.959 -1.547 1.00 0.00 C ATOM 432 C LYS A 29 -0.650 -13.157 -0.341 1.00 0.00 C ATOM 433 O LYS A 29 -1.389 -12.295 0.125 1.00 0.00 O ATOM 434 CB LYS A 29 -2.322 -14.882 -1.117 1.00 0.00 C ATOM 435 CG LYS A 29 -3.566 -14.843 -2.014 1.00 0.00 C ATOM 436 CD LYS A 29 -3.368 -15.410 -3.430 1.00 0.00 C ATOM 437 CE LYS A 29 -4.661 -16.070 -3.940 1.00 0.00 C ATOM 438 NZ LYS A 29 -5.793 -15.135 -4.150 1.00 0.00 N ATOM 0 H LYS A 29 0.004 -15.676 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.523 -13.258 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.954 -15.907 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.619 -14.614 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.365 -15.400 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.903 -13.810 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.070 -14.610 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.559 -16.141 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.447 -16.577 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.967 -16.836 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.621 -15.663 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.029 -14.668 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.525 -14.417 -4.853 1.00 0.00 H new ATOM 452 N LEU A 30 0.581 -13.365 0.150 1.00 0.00 N ATOM 453 CA LEU A 30 1.144 -12.653 1.300 1.00 0.00 C ATOM 454 C LEU A 30 1.012 -11.142 1.103 1.00 0.00 C ATOM 455 O LEU A 30 0.504 -10.432 1.971 1.00 0.00 O ATOM 456 CB LEU A 30 2.612 -13.087 1.479 1.00 0.00 C ATOM 457 CG LEU A 30 3.421 -12.288 2.513 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.805 -12.343 3.915 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.854 -12.829 2.565 1.00 0.00 C ATOM 0 H LEU A 30 1.224 -14.048 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 30 0.595 -12.904 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.629 -14.139 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.114 -13.011 0.515 1.00 0.00 H new ATOM 0 HG LEU A 30 3.413 -11.245 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.417 -11.762 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.797 -11.928 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.761 -13.378 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.430 -12.264 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.836 -13.881 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.317 -12.728 1.583 1.00 0.00 H new ATOM 471 N TRP A 31 1.424 -10.652 -0.067 1.00 0.00 N ATOM 472 CA TRP A 31 1.259 -9.256 -0.444 1.00 0.00 C ATOM 473 C TRP A 31 -0.219 -8.854 -0.545 1.00 0.00 C ATOM 474 O TRP A 31 -0.617 -7.790 -0.058 1.00 0.00 O ATOM 475 CB TRP A 31 2.017 -8.993 -1.746 1.00 0.00 C ATOM 476 CG TRP A 31 1.367 -8.073 -2.719 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.350 -6.726 -2.654 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.635 -8.429 -3.921 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.719 -6.225 -3.770 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.282 -7.229 -4.596 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.268 -9.645 -4.524 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.341 -7.227 -5.842 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.394 -9.654 -5.764 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.692 -8.448 -6.425 1.00 0.00 C ATOM 0 H TRP A 31 1.883 -11.219 -0.780 1.00 0.00 H new ATOM 0 HA TRP A 31 1.681 -8.629 0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.997 -8.587 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.186 -9.949 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.766 -6.134 -1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.592 -5.231 -3.959 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.496 -10.578 -4.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.550 -6.297 -6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.676 -10.595 -6.213 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.192 -8.466 -7.382 1.00 0.00 H new ATOM 495 N ALA A 32 -1.035 -9.694 -1.189 1.00 0.00 N ATOM 496 CA ALA A 32 -2.451 -9.445 -1.425 1.00 0.00 C ATOM 497 C ALA A 32 -3.211 -9.270 -0.097 1.00 0.00 C ATOM 498 O ALA A 32 -4.206 -8.546 -0.038 1.00 0.00 O ATOM 499 CB ALA A 32 -3.064 -10.579 -2.253 1.00 0.00 C ATOM 0 H ALA A 32 -0.717 -10.586 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.542 -8.516 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.122 -10.377 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.552 -10.647 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.955 -11.521 -1.716 1.00 0.00 H new ATOM 505 N GLN A 33 -2.734 -9.885 0.989 1.00 0.00 N ATOM 506 CA GLN A 33 -3.296 -9.727 2.322 1.00 0.00 C ATOM 507 C GLN A 33 -3.108 -8.314 2.887 1.00 0.00 C ATOM 508 O GLN A 33 -3.906 -7.922 3.739 1.00 0.00 O ATOM 509 CB GLN A 33 -2.785 -10.832 3.258 1.00 0.00 C ATOM 510 CG GLN A 33 -3.488 -12.164 2.937 1.00 0.00 C ATOM 511 CD GLN A 33 -3.097 -13.344 3.824 1.00 0.00 C ATOM 512 OE1 GLN A 33 -3.508 -14.467 3.560 1.00 0.00 O ATOM 513 NE2 GLN A 33 -2.347 -13.158 4.891 1.00 0.00 N ATOM 0 H GLN A 33 -1.933 -10.516 0.960 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.376 -9.847 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.707 -10.945 3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.970 -10.555 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.565 -12.014 3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.277 -12.426 1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.002 -12.225 5.116 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.111 -13.947 5.493 1.00 0.00 H new ATOM 522 N CYS A 34 -2.164 -7.511 2.387 1.00 0.00 N ATOM 523 CA CYS A 34 -2.162 -6.071 2.635 1.00 0.00 C ATOM 524 C CYS A 34 -2.881 -5.304 1.538 1.00 0.00 C ATOM 525 O CYS A 34 -3.430 -4.243 1.832 1.00 0.00 O ATOM 526 CB CYS A 34 -0.740 -5.548 2.859 1.00 0.00 C ATOM 527 SG CYS A 34 0.005 -6.299 4.332 1.00 0.00 S ATOM 0 H CYS A 34 -1.391 -7.837 1.807 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.722 -5.899 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.126 -5.767 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.761 -4.464 2.970 1.00 0.00 H new ATOM 0 HG CYS A 34 0.997 -5.564 4.740 1.00 0.00 H new ATOM 533 N VAL A 35 -2.938 -5.812 0.302 1.00 0.00 N ATOM 534 CA VAL A 35 -3.660 -5.088 -0.732 1.00 0.00 C ATOM 535 C VAL A 35 -5.129 -4.939 -0.315 1.00 0.00 C ATOM 536 O VAL A 35 -5.635 -3.827 -0.357 1.00 0.00 O ATOM 537 CB VAL A 35 -3.374 -5.640 -2.155 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.453 -6.540 -2.772 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.145 -4.477 -3.131 1.00 0.00 C ATOM 0 H VAL A 35 -2.508 -6.689 0.007 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.287 -4.068 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.494 -6.267 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.136 -6.860 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.603 -7.415 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.388 -5.985 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.945 -4.872 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.034 -3.848 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.293 -3.885 -2.798 1.00 0.00 H new ATOM 549 N GLN A 36 -5.792 -5.974 0.191 1.00 0.00 N ATOM 550 CA GLN A 36 -7.207 -5.920 0.565 1.00 0.00 C ATOM 551 C GLN A 36 -7.588 -4.720 1.463 1.00 0.00 C ATOM 552 O GLN A 36 -8.500 -3.969 1.116 1.00 0.00 O ATOM 553 CB GLN A 36 -7.651 -7.286 1.106 1.00 0.00 C ATOM 554 CG GLN A 36 -6.758 -7.908 2.190 1.00 0.00 C ATOM 555 CD GLN A 36 -7.094 -9.381 2.382 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.738 -9.764 3.355 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.678 -10.241 1.468 1.00 0.00 N ATOM 0 H GLN A 36 -5.361 -6.884 0.356 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.781 -5.719 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.659 -7.184 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.711 -7.983 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.710 -7.802 1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.892 -7.373 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.144 -9.912 0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.891 -11.234 1.567 1.00 0.00 H new ATOM 566 N LEU A 37 -6.900 -4.489 2.586 1.00 0.00 N ATOM 567 CA LEU A 37 -7.122 -3.383 3.504 1.00 0.00 C ATOM 568 C LEU A 37 -6.746 -2.030 2.910 1.00 0.00 C ATOM 569 O LEU A 37 -7.253 -1.033 3.416 1.00 0.00 O ATOM 570 CB LEU A 37 -6.350 -3.625 4.820 1.00 0.00 C ATOM 571 CG LEU A 37 -7.211 -4.152 5.985 1.00 0.00 C ATOM 572 CD1 LEU A 37 -8.173 -3.087 6.515 1.00 0.00 C ATOM 573 CD2 LEU A 37 -8.006 -5.407 5.604 1.00 0.00 C ATOM 0 H LEU A 37 -6.140 -5.099 2.887 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.193 -3.348 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.547 -4.337 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.881 -2.690 5.127 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.506 -4.415 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.759 -3.502 7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.604 -2.229 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.842 -2.770 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.596 -5.738 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.671 -5.178 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.317 -6.199 5.310 1.00 0.00 H new ATOM 585 N HIS A 38 -5.956 -1.927 1.826 1.00 0.00 N ATOM 586 CA HIS A 38 -5.768 -0.616 1.198 1.00 0.00 C ATOM 587 C HIS A 38 -7.122 -0.009 0.791 1.00 0.00 C ATOM 588 O HIS A 38 -7.250 1.209 0.760 1.00 0.00 O ATOM 589 CB HIS A 38 -4.798 -0.662 0.017 1.00 0.00 C ATOM 590 CG HIS A 38 -5.426 -0.705 -1.359 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.700 -1.847 -2.064 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.858 0.356 -2.110 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.298 -1.511 -3.202 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.445 -0.175 -3.246 1.00 0.00 N ATOM 0 H HIS A 38 -5.459 -2.701 1.385 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.310 0.034 1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.150 0.213 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.160 -1.539 0.131 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.481 -2.797 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.760 1.403 -1.864 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.616 -2.201 -3.970 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.907 0.354 -3.986 1.00 0.00 H new ATOM 603 N ASN A 39 -8.115 -0.853 0.468 1.00 0.00 N ATOM 604 CA ASN A 39 -9.465 -0.425 0.103 1.00 0.00 C ATOM 605 C ASN A 39 -10.273 0.101 1.308 1.00 0.00 C ATOM 606 O ASN A 39 -11.368 0.634 1.147 1.00 0.00 O ATOM 607 CB ASN A 39 -10.194 -1.565 -0.635 1.00 0.00 C ATOM 608 CG ASN A 39 -11.645 -1.222 -0.921 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.927 -0.341 -1.726 1.00 0.00 O ATOM 610 ND2 ASN A 39 -12.585 -1.900 -0.282 1.00 0.00 N ATOM 0 H ASN A 39 -7.996 -1.866 0.454 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.375 0.424 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.680 -1.777 -1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.148 -2.473 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.569 -1.694 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.325 -2.628 0.383 1.00 0.00 H new ATOM 617 N ASP A 40 -9.742 0.009 2.526 1.00 0.00 N ATOM 618 CA ASP A 40 -10.379 0.540 3.729 1.00 0.00 C ATOM 619 C ASP A 40 -9.655 1.733 4.301 1.00 0.00 C ATOM 620 O ASP A 40 -10.283 2.704 4.723 1.00 0.00 O ATOM 621 CB ASP A 40 -10.549 -0.565 4.761 1.00 0.00 C ATOM 622 CG ASP A 40 -10.539 -0.057 6.215 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.622 0.332 6.713 1.00 0.00 O ATOM 624 OD2 ASP A 40 -9.475 0.018 6.869 1.00 0.00 O ATOM 0 H ASP A 40 -8.845 -0.442 2.707 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.365 0.906 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.488 -1.085 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.750 -1.295 4.634 1.00 0.00 H new ATOM 629 N ILE A 41 -8.338 1.686 4.219 1.00 0.00 N ATOM 630 CA ILE A 41 -7.432 2.760 4.529 1.00 0.00 C ATOM 631 C ILE A 41 -7.807 4.035 3.752 1.00 0.00 C ATOM 632 O ILE A 41 -7.341 5.095 4.146 1.00 0.00 O ATOM 633 CB ILE A 41 -6.002 2.212 4.293 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.677 1.038 5.263 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.901 3.256 4.448 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.413 1.416 6.728 1.00 0.00 C ATOM 0 H ILE A 41 -7.850 0.843 3.915 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.491 3.084 5.568 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.011 1.876 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.508 0.333 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.801 0.513 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.931 2.792 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.058 4.060 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.925 3.663 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.199 0.515 7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.560 2.092 6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.293 1.909 7.141 1.00 0.00 H new ATOM 648 N LEU A 42 -8.657 4.017 2.704 1.00 0.00 N ATOM 649 CA LEU A 42 -9.187 5.237 2.067 1.00 0.00 C ATOM 650 C LEU A 42 -9.852 6.133 3.103 1.00 0.00 C ATOM 651 O LEU A 42 -9.738 7.356 2.986 1.00 0.00 O ATOM 652 CB LEU A 42 -10.240 4.939 0.980 1.00 0.00 C ATOM 653 CG LEU A 42 -9.765 4.448 -0.404 1.00 0.00 C ATOM 654 CD1 LEU A 42 -8.278 4.645 -0.698 1.00 0.00 C ATOM 655 CD2 LEU A 42 -10.074 2.966 -0.561 1.00 0.00 C ATOM 0 H LEU A 42 -8.994 3.154 2.277 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.328 5.725 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.923 4.189 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.821 5.848 0.826 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.311 5.070 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.051 4.266 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.035 5.706 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.686 4.103 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.736 2.626 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.559 2.402 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.149 2.807 -0.472 1.00 0.00 H new ATOM 667 N LEU A 43 -10.511 5.564 4.125 1.00 0.00 N ATOM 668 CA LEU A 43 -11.039 6.398 5.203 1.00 0.00 C ATOM 669 C LEU A 43 -10.205 6.154 6.442 1.00 0.00 C ATOM 670 O LEU A 43 -10.737 5.761 7.483 1.00 0.00 O ATOM 671 CB LEU A 43 -12.554 6.211 5.434 1.00 0.00 C ATOM 672 CG LEU A 43 -13.520 6.785 4.378 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.950 7.988 3.621 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.984 5.708 3.396 1.00 0.00 C ATOM 0 H LEU A 43 -10.684 4.564 4.223 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.954 7.447 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.750 5.142 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.804 6.660 6.395 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.383 7.146 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.682 8.341 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.724 8.788 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.038 7.693 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.663 6.149 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.120 5.289 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.500 4.917 3.940 1.00 0.00 H new ATOM 686 N ALA A 44 -8.893 6.396 6.351 1.00 0.00 N ATOM 687 CA ALA A 44 -8.068 6.204 7.541 1.00 0.00 C ATOM 688 C ALA A 44 -8.123 7.447 8.432 1.00 0.00 C ATOM 689 O ALA A 44 -8.369 7.314 9.634 1.00 0.00 O ATOM 690 CB ALA A 44 -6.647 5.819 7.170 1.00 0.00 C ATOM 0 H ALA A 44 -8.403 6.708 5.513 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.472 5.371 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.058 5.683 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.659 4.889 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.203 6.608 6.564 1.00 0.00 H new ATOM 696 N LYS A 45 -7.929 8.651 7.877 1.00 0.00 N ATOM 697 CA LYS A 45 -7.836 9.879 8.675 1.00 0.00 C ATOM 698 C LYS A 45 -8.300 11.112 7.905 1.00 0.00 C ATOM 699 O LYS A 45 -9.131 11.880 8.378 1.00 0.00 O ATOM 700 CB LYS A 45 -6.377 10.024 9.153 1.00 0.00 C ATOM 701 CG LYS A 45 -6.083 11.321 9.919 1.00 0.00 C ATOM 702 CD LYS A 45 -6.778 11.420 11.278 1.00 0.00 C ATOM 703 CE LYS A 45 -6.053 10.593 12.346 1.00 0.00 C ATOM 704 NZ LYS A 45 -6.643 10.801 13.684 1.00 0.00 N ATOM 0 H LYS A 45 -7.833 8.800 6.872 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.507 9.803 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.132 9.176 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.717 9.971 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.006 11.406 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.388 12.169 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.819 12.463 11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.808 11.074 11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.103 9.536 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.998 10.867 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.129 10.227 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.573 11.806 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.643 10.516 13.670 1.00 0.00 H new ATOM 718 N ASP A 46 -7.716 11.322 6.742 1.00 0.00 N ATOM 719 CA ASP A 46 -7.948 12.392 5.770 1.00 0.00 C ATOM 720 C ASP A 46 -7.500 11.791 4.443 1.00 0.00 C ATOM 721 O ASP A 46 -6.729 10.832 4.489 1.00 0.00 O ATOM 722 CB ASP A 46 -7.056 13.603 6.079 1.00 0.00 C ATOM 723 CG ASP A 46 -7.435 14.815 5.233 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.606 15.249 5.308 1.00 0.00 O ATOM 725 OD2 ASP A 46 -6.566 15.309 4.477 1.00 0.00 O ATOM 0 H ASP A 46 -6.990 10.685 6.413 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.984 12.729 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.140 13.856 7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.013 13.343 5.896 1.00 0.00 H new ATOM 730 N THR A 47 -7.914 12.301 3.282 1.00 0.00 N ATOM 731 CA THR A 47 -7.578 11.650 2.013 1.00 0.00 C ATOM 732 C THR A 47 -6.062 11.485 1.815 1.00 0.00 C ATOM 733 O THR A 47 -5.650 10.463 1.265 1.00 0.00 O ATOM 734 CB THR A 47 -8.228 12.428 0.865 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.633 12.484 1.067 1.00 0.00 O ATOM 736 CG2 THR A 47 -7.983 11.806 -0.517 1.00 0.00 C ATOM 0 H THR A 47 -8.474 13.149 3.193 1.00 0.00 H new ATOM 0 HA THR A 47 -7.977 10.636 2.028 1.00 0.00 H new ATOM 0 HB THR A 47 -7.770 13.417 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.049 12.983 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.473 12.411 -1.280 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.912 11.770 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.390 10.795 -0.538 1.00 0.00 H new ATOM 744 N THR A 48 -5.254 12.435 2.297 1.00 0.00 N ATOM 745 CA THR A 48 -3.801 12.351 2.270 1.00 0.00 C ATOM 746 C THR A 48 -3.367 11.163 3.135 1.00 0.00 C ATOM 747 O THR A 48 -3.042 10.097 2.618 1.00 0.00 O ATOM 748 CB THR A 48 -3.210 13.685 2.772 1.00 0.00 C ATOM 749 OG1 THR A 48 -3.915 14.789 2.244 1.00 0.00 O ATOM 750 CG2 THR A 48 -1.724 13.827 2.464 1.00 0.00 C ATOM 0 H THR A 48 -5.602 13.294 2.722 1.00 0.00 H new ATOM 0 HA THR A 48 -3.431 12.187 1.258 1.00 0.00 H new ATOM 0 HB THR A 48 -3.322 13.673 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.520 15.620 2.580 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.364 14.784 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.174 13.018 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.570 13.780 1.386 1.00 0.00 H new ATOM 758 N GLU A 49 -3.444 11.321 4.460 1.00 0.00 N ATOM 759 CA GLU A 49 -2.949 10.381 5.463 1.00 0.00 C ATOM 760 C GLU A 49 -3.523 8.967 5.296 1.00 0.00 C ATOM 761 O GLU A 49 -2.930 7.997 5.762 1.00 0.00 O ATOM 762 CB GLU A 49 -3.329 10.908 6.858 1.00 0.00 C ATOM 763 CG GLU A 49 -2.538 12.145 7.326 1.00 0.00 C ATOM 764 CD GLU A 49 -2.638 12.385 8.845 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.511 11.424 9.637 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.888 13.532 9.277 1.00 0.00 O ATOM 0 H GLU A 49 -3.873 12.146 4.879 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.869 10.308 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.391 11.153 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.185 10.108 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.490 12.025 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.907 13.025 6.800 1.00 0.00 H new ATOM 773 N ALA A 50 -4.683 8.858 4.654 1.00 0.00 N ATOM 774 CA ALA A 50 -5.293 7.647 4.180 1.00 0.00 C ATOM 775 C ALA A 50 -4.455 7.008 3.098 1.00 0.00 C ATOM 776 O ALA A 50 -3.777 6.016 3.346 1.00 0.00 O ATOM 777 CB ALA A 50 -6.712 7.974 3.693 1.00 0.00 C ATOM 0 H ALA A 50 -5.251 9.679 4.443 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.357 6.919 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.190 7.065 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.294 8.385 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.660 8.705 2.886 1.00 0.00 H new ATOM 783 N PHE A 51 -4.592 7.497 1.872 1.00 0.00 N ATOM 784 CA PHE A 51 -3.952 6.906 0.702 1.00 0.00 C ATOM 785 C PHE A 51 -2.460 6.679 0.952 1.00 0.00 C ATOM 786 O PHE A 51 -1.958 5.619 0.612 1.00 0.00 O ATOM 787 CB PHE A 51 -4.327 7.663 -0.579 1.00 0.00 C ATOM 788 CG PHE A 51 -3.119 8.225 -1.305 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.432 7.400 -2.216 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.561 9.455 -0.915 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.167 7.771 -2.695 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.289 9.819 -1.392 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.589 8.968 -2.258 1.00 0.00 C ATOM 0 H PHE A 51 -5.154 8.321 1.659 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.343 5.903 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.867 6.992 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.006 8.478 -0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.882 6.476 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.104 10.115 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.643 7.138 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.850 10.758 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.403 9.238 -2.590 1.00 0.00 H new ATOM 803 N GLU A 52 -1.781 7.575 1.652 1.00 0.00 N ATOM 804 CA GLU A 52 -0.392 7.471 2.089 1.00 0.00 C ATOM 805 C GLU A 52 -0.153 6.272 3.009 1.00 0.00 C ATOM 806 O GLU A 52 0.749 5.482 2.726 1.00 0.00 O ATOM 807 CB GLU A 52 -0.073 8.835 2.726 1.00 0.00 C ATOM 808 CG GLU A 52 -0.024 9.849 1.565 1.00 0.00 C ATOM 809 CD GLU A 52 0.669 11.189 1.775 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.937 11.600 2.919 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.914 11.838 0.726 1.00 0.00 O ATOM 0 H GLU A 52 -2.210 8.451 1.950 1.00 0.00 H new ATOM 0 HA GLU A 52 0.288 7.270 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.835 9.113 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.879 8.804 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.461 9.358 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.052 10.055 1.266 1.00 0.00 H new ATOM 818 N LYS A 53 -0.997 6.004 4.010 1.00 0.00 N ATOM 819 CA LYS A 53 -0.907 4.721 4.710 1.00 0.00 C ATOM 820 C LYS A 53 -1.090 3.562 3.735 1.00 0.00 C ATOM 821 O LYS A 53 -0.407 2.550 3.879 1.00 0.00 O ATOM 822 CB LYS A 53 -1.894 4.632 5.886 1.00 0.00 C ATOM 823 CG LYS A 53 -1.320 5.291 7.150 1.00 0.00 C ATOM 824 CD LYS A 53 -2.351 5.282 8.286 1.00 0.00 C ATOM 825 CE LYS A 53 -1.780 5.914 9.563 1.00 0.00 C ATOM 826 NZ LYS A 53 -0.891 5.007 10.323 1.00 0.00 N ATOM 0 H LYS A 53 -1.726 6.634 4.345 1.00 0.00 H new ATOM 0 HA LYS A 53 0.093 4.650 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.831 5.118 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.125 3.587 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.421 4.762 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.025 6.317 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.242 5.827 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.660 4.257 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.226 6.814 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.604 6.225 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.541 5.495 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.421 4.158 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.086 4.730 9.726 1.00 0.00 H new ATOM 840 N MET A 54 -1.938 3.685 2.708 1.00 0.00 N ATOM 841 CA MET A 54 -2.278 2.573 1.828 1.00 0.00 C ATOM 842 C MET A 54 -1.104 2.274 0.886 1.00 0.00 C ATOM 843 O MET A 54 -0.922 1.133 0.460 1.00 0.00 O ATOM 844 CB MET A 54 -3.581 2.838 1.059 1.00 0.00 C ATOM 845 CG MET A 54 -3.467 3.128 -0.440 1.00 0.00 C ATOM 846 SD MET A 54 -5.000 3.760 -1.140 1.00 0.00 S ATOM 847 CE MET A 54 -4.465 3.994 -2.832 1.00 0.00 C ATOM 0 H MET A 54 -2.405 4.559 2.468 1.00 0.00 H new ATOM 0 HA MET A 54 -2.457 1.688 2.439 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.230 1.971 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.083 3.684 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.670 3.852 -0.607 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.182 2.215 -0.963 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.899 4.912 -3.227 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.378 4.064 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.792 3.148 -3.437 1.00 0.00 H new ATOM 857 N VAL A 55 -0.310 3.291 0.548 1.00 0.00 N ATOM 858 CA VAL A 55 0.941 3.141 -0.173 1.00 0.00 C ATOM 859 C VAL A 55 2.056 2.636 0.740 1.00 0.00 C ATOM 860 O VAL A 55 2.994 2.014 0.232 1.00 0.00 O ATOM 861 CB VAL A 55 1.267 4.430 -0.957 1.00 0.00 C ATOM 862 CG1 VAL A 55 0.398 4.435 -2.216 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.146 5.800 -0.374 1.00 0.00 C ATOM 0 H VAL A 55 -0.530 4.261 0.776 1.00 0.00 H new ATOM 0 HA VAL A 55 0.839 2.360 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 55 2.348 4.323 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.603 5.335 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.625 3.555 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.654 4.418 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.431 6.540 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.115 5.974 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.803 5.886 0.491 1.00 0.00 H new ATOM 873 N SER A 56 1.929 2.822 2.051 1.00 0.00 N ATOM 874 CA SER A 56 2.933 2.410 3.022 1.00 0.00 C ATOM 875 C SER A 56 2.837 0.952 3.432 1.00 0.00 C ATOM 876 O SER A 56 3.833 0.246 3.316 1.00 0.00 O ATOM 877 CB SER A 56 2.943 3.315 4.243 1.00 0.00 C ATOM 878 OG SER A 56 4.138 3.071 4.953 1.00 0.00 O ATOM 0 H SER A 56 1.115 3.269 2.472 1.00 0.00 H new ATOM 0 HA SER A 56 3.886 2.515 2.503 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.884 4.361 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.077 3.115 4.874 1.00 0.00 H new ATOM 0 HG SER A 56 4.170 3.645 5.747 1.00 0.00 H new ATOM 884 N LEU A 57 1.661 0.458 3.830 1.00 0.00 N ATOM 885 CA LEU A 57 1.447 -0.963 4.127 1.00 0.00 C ATOM 886 C LEU A 57 2.118 -1.860 3.110 1.00 0.00 C ATOM 887 O LEU A 57 2.710 -2.873 3.474 1.00 0.00 O ATOM 888 CB LEU A 57 -0.034 -1.364 4.196 1.00 0.00 C ATOM 889 CG LEU A 57 -1.031 -0.588 3.309 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.658 -1.428 2.193 1.00 0.00 C ATOM 891 CD2 LEU A 57 -2.177 -0.109 4.199 1.00 0.00 C ATOM 0 H LEU A 57 0.828 1.033 3.956 1.00 0.00 H new ATOM 0 HA LEU A 57 1.892 -1.099 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.108 -2.420 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.360 -1.266 5.231 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.469 0.220 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.346 -0.810 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.873 -1.807 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.202 -2.266 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.898 0.444 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.668 -0.969 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.783 0.540 4.981 1.00 0.00 H new ATOM 903 N LEU A 58 2.003 -1.509 1.830 1.00 0.00 N ATOM 904 CA LEU A 58 2.630 -2.301 0.781 1.00 0.00 C ATOM 905 C LEU A 58 4.128 -2.059 0.581 1.00 0.00 C ATOM 906 O LEU A 58 4.811 -2.959 0.092 1.00 0.00 O ATOM 907 CB LEU A 58 1.841 -2.166 -0.526 1.00 0.00 C ATOM 908 CG LEU A 58 1.089 -3.459 -0.852 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.085 -3.736 0.092 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.599 -3.395 -2.299 1.00 0.00 C ATOM 0 H LEU A 58 1.488 -0.692 1.500 1.00 0.00 H new ATOM 0 HA LEU A 58 2.586 -3.334 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.133 -1.341 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.522 -1.922 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 58 1.787 -4.285 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.572 -4.667 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.283 -3.821 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.802 -2.917 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.062 -4.312 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.067 -2.541 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.453 -3.287 -2.968 1.00 0.00 H new ATOM 922 N SER A 59 4.664 -0.905 0.970 1.00 0.00 N ATOM 923 CA SER A 59 6.102 -0.732 1.104 1.00 0.00 C ATOM 924 C SER A 59 6.694 -1.675 2.149 1.00 0.00 C ATOM 925 O SER A 59 7.565 -2.479 1.807 1.00 0.00 O ATOM 926 CB SER A 59 6.436 0.739 1.377 1.00 0.00 C ATOM 927 OG SER A 59 6.528 1.419 0.135 1.00 0.00 O ATOM 0 H SER A 59 4.118 -0.074 1.198 1.00 0.00 H new ATOM 0 HA SER A 59 6.572 -1.006 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.666 1.193 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.376 0.819 1.923 1.00 0.00 H new ATOM 0 HG SER A 59 7.469 1.488 -0.131 1.00 0.00 H new ATOM 933 N VAL A 60 6.184 -1.648 3.370 1.00 0.00 N ATOM 934 CA VAL A 60 6.784 -2.370 4.503 1.00 0.00 C ATOM 935 C VAL A 60 6.647 -3.875 4.280 1.00 0.00 C ATOM 936 O VAL A 60 7.598 -4.642 4.427 1.00 0.00 O ATOM 937 CB VAL A 60 6.212 -1.871 5.852 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.687 -1.999 6.004 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.887 -2.539 7.052 1.00 0.00 C ATOM 0 H VAL A 60 5.342 -1.127 3.613 1.00 0.00 H new ATOM 0 HA VAL A 60 7.852 -2.158 4.558 1.00 0.00 H new ATOM 0 HB VAL A 60 6.441 -0.805 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.386 -1.623 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.194 -1.419 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.399 -3.046 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.451 -2.156 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.737 -3.617 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.955 -2.320 7.037 1.00 0.00 H new ATOM 949 N LEU A 61 5.476 -4.305 3.806 1.00 0.00 N ATOM 950 CA LEU A 61 5.175 -5.686 3.472 1.00 0.00 C ATOM 951 C LEU A 61 6.147 -6.237 2.429 1.00 0.00 C ATOM 952 O LEU A 61 6.383 -7.442 2.445 1.00 0.00 O ATOM 953 CB LEU A 61 3.705 -5.702 3.031 1.00 0.00 C ATOM 954 CG LEU A 61 3.128 -6.861 2.212 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.689 -6.829 0.783 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.231 -8.220 2.910 1.00 0.00 C ATOM 0 H LEU A 61 4.690 -3.676 3.641 1.00 0.00 H new ATOM 0 HA LEU A 61 5.307 -6.354 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.102 -5.622 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.537 -4.792 2.455 1.00 0.00 H new ATOM 0 HG LEU A 61 2.051 -6.714 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.272 -7.657 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.419 -5.886 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.775 -6.921 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.802 -8.991 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.278 -8.451 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.686 -8.187 3.853 1.00 0.00 H new ATOM 968 N LEU A 62 6.742 -5.411 1.550 1.00 0.00 N ATOM 969 CA LEU A 62 7.667 -5.934 0.542 1.00 0.00 C ATOM 970 C LEU A 62 8.825 -6.666 1.229 1.00 0.00 C ATOM 971 O LEU A 62 9.321 -7.632 0.664 1.00 0.00 O ATOM 972 CB LEU A 62 8.202 -4.847 -0.418 1.00 0.00 C ATOM 973 CG LEU A 62 8.164 -5.205 -1.925 1.00 0.00 C ATOM 974 CD1 LEU A 62 9.023 -4.221 -2.725 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.625 -6.614 -2.313 1.00 0.00 C ATOM 0 H LEU A 62 6.600 -4.401 1.520 1.00 0.00 H new ATOM 0 HA LEU A 62 7.103 -6.633 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.623 -3.936 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.232 -4.620 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 62 7.101 -5.150 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.988 -4.484 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.640 -3.210 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.054 -4.269 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.550 -6.737 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.660 -6.756 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.993 -7.352 -1.819 1.00 0.00 H new ATOM 987 N SER A 63 9.193 -6.265 2.456 1.00 0.00 N ATOM 988 CA SER A 63 10.265 -6.838 3.275 1.00 0.00 C ATOM 989 C SER A 63 10.109 -8.358 3.327 1.00 0.00 C ATOM 990 O SER A 63 10.867 -9.096 2.697 1.00 0.00 O ATOM 991 CB SER A 63 10.239 -6.149 4.652 1.00 0.00 C ATOM 992 OG SER A 63 11.374 -6.398 5.458 1.00 0.00 O ATOM 0 H SER A 63 8.724 -5.491 2.926 1.00 0.00 H new ATOM 0 HA SER A 63 11.251 -6.657 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.145 -5.073 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.349 -6.476 5.190 1.00 0.00 H new ATOM 0 HG SER A 63 11.280 -5.925 6.311 1.00 0.00 H new ATOM 998 N MET A 64 9.050 -8.818 3.988 1.00 0.00 N ATOM 999 CA MET A 64 8.715 -10.229 4.112 1.00 0.00 C ATOM 1000 C MET A 64 8.344 -10.847 2.772 1.00 0.00 C ATOM 1001 O MET A 64 8.507 -12.051 2.606 1.00 0.00 O ATOM 1002 CB MET A 64 7.556 -10.421 5.101 1.00 0.00 C ATOM 1003 CG MET A 64 6.275 -9.679 4.679 1.00 0.00 C ATOM 1004 SD MET A 64 4.937 -9.713 5.905 1.00 0.00 S ATOM 1005 CE MET A 64 5.686 -8.732 7.239 1.00 0.00 C ATOM 0 H MET A 64 8.388 -8.204 4.462 1.00 0.00 H new ATOM 0 HA MET A 64 9.605 -10.736 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.339 -11.485 5.195 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.864 -10.070 6.086 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.527 -8.640 4.466 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.909 -10.115 3.750 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.911 -8.417 7.938 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.425 -9.337 7.765 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.172 -7.853 6.815 1.00 0.00 H new ATOM 1015 N GLN A 65 7.813 -10.063 1.829 1.00 0.00 N ATOM 1016 CA GLN A 65 7.391 -10.590 0.544 1.00 0.00 C ATOM 1017 C GLN A 65 8.588 -11.071 -0.289 1.00 0.00 C ATOM 1018 O GLN A 65 8.393 -11.826 -1.247 1.00 0.00 O ATOM 1019 CB GLN A 65 6.662 -9.509 -0.266 1.00 0.00 C ATOM 1020 CG GLN A 65 5.331 -9.931 -0.877 1.00 0.00 C ATOM 1021 CD GLN A 65 5.397 -11.168 -1.760 1.00 0.00 C ATOM 1022 OE1 GLN A 65 4.943 -12.227 -1.348 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.929 -11.075 -2.969 1.00 0.00 N ATOM 0 H GLN A 65 7.668 -9.059 1.940 1.00 0.00 H new ATOM 0 HA GLN A 65 6.728 -11.430 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.488 -8.650 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.320 -9.175 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.620 -10.114 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.939 -9.102 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.302 -10.183 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.965 -11.895 -3.575 1.00 0.00 H new ATOM 1032 N GLY A 66 9.792 -10.569 0.010 1.00 0.00 N ATOM 1033 CA GLY A 66 10.977 -10.832 -0.779 1.00 0.00 C ATOM 1034 C GLY A 66 11.958 -9.665 -0.877 1.00 0.00 C ATOM 1035 O GLY A 66 12.828 -9.738 -1.748 1.00 0.00 O ATOM 0 H GLY A 66 9.961 -9.965 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.497 -11.690 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.670 -11.115 -1.786 1.00 0.00 H new ATOM 1039 N ALA A 67 11.839 -8.583 -0.092 1.00 0.00 N ATOM 1040 CA ALA A 67 12.742 -7.440 -0.209 1.00 0.00 C ATOM 1041 C ALA A 67 13.911 -7.574 0.759 1.00 0.00 C ATOM 1042 O ALA A 67 13.836 -7.153 1.919 1.00 0.00 O ATOM 1043 CB ALA A 67 12.041 -6.090 -0.061 1.00 0.00 C ATOM 0 H ALA A 67 11.125 -8.481 0.629 1.00 0.00 H new ATOM 0 HA ALA A 67 13.130 -7.457 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.772 -5.288 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.283 -5.987 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.567 -6.032 0.919 1.00 0.00 H new ATOM 1049 N VAL A 68 15.016 -8.078 0.208 1.00 0.00 N ATOM 1050 CA VAL A 68 16.359 -8.027 0.767 1.00 0.00 C ATOM 1051 C VAL A 68 16.591 -6.670 1.447 1.00 0.00 C ATOM 1052 O VAL A 68 16.831 -6.638 2.653 1.00 0.00 O ATOM 1053 CB VAL A 68 17.384 -8.413 -0.330 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.295 -7.591 -1.631 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.821 -8.372 0.183 1.00 0.00 C ATOM 0 H VAL A 68 14.992 -8.559 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 68 16.494 -8.761 1.561 1.00 0.00 H new ATOM 0 HB VAL A 68 17.103 -9.435 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.053 -7.938 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.307 -7.716 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.462 -6.537 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.502 -8.650 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 68 19.056 -7.365 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.932 -9.072 1.011 1.00 0.00 H new ATOM 1065 N ASP A 69 16.420 -5.565 0.721 1.00 0.00 N ATOM 1066 CA ASP A 69 16.466 -4.194 1.215 1.00 0.00 C ATOM 1067 C ASP A 69 15.504 -3.405 0.347 1.00 0.00 C ATOM 1068 O ASP A 69 15.766 -3.117 -0.824 1.00 0.00 O ATOM 1069 CB ASP A 69 17.863 -3.583 1.080 1.00 0.00 C ATOM 1070 CG ASP A 69 18.793 -3.935 2.241 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.494 -3.545 3.392 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.864 -4.546 1.999 1.00 0.00 O ATOM 0 H ASP A 69 16.236 -5.608 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 69 16.205 -4.172 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.312 -3.924 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.773 -2.499 1.012 1.00 0.00 H new ATOM 1077 N ILE A 70 14.361 -3.061 0.915 1.00 0.00 N ATOM 1078 CA ILE A 70 13.590 -1.918 0.472 1.00 0.00 C ATOM 1079 C ILE A 70 13.038 -1.172 1.661 1.00 0.00 C ATOM 1080 O ILE A 70 12.827 0.015 1.492 1.00 0.00 O ATOM 1081 CB ILE A 70 12.528 -2.318 -0.570 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.618 -1.459 -1.853 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.082 -2.380 -0.041 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.066 -2.333 -3.029 1.00 0.00 C ATOM 0 H ILE A 70 13.944 -3.568 1.696 1.00 0.00 H new ATOM 0 HA ILE A 70 14.246 -1.223 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 70 12.782 -3.348 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.649 -1.009 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.323 -0.641 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.411 -2.670 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.020 -3.113 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.791 -1.400 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.128 -1.725 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.044 -2.761 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.344 -3.135 -3.182 1.00 0.00 H new ATOM 1096 N ASN A 71 12.849 -1.795 2.834 1.00 0.00 N ATOM 1097 CA ASN A 71 12.235 -1.151 3.994 1.00 0.00 C ATOM 1098 C ASN A 71 12.819 0.241 4.184 1.00 0.00 C ATOM 1099 O ASN A 71 12.130 1.232 3.962 1.00 0.00 O ATOM 1100 CB ASN A 71 12.398 -2.001 5.264 1.00 0.00 C ATOM 1101 CG ASN A 71 11.527 -1.442 6.381 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.318 -1.621 6.329 1.00 0.00 O ATOM 1103 ND2 ASN A 71 12.086 -0.818 7.405 1.00 0.00 N ATOM 0 H ASN A 71 13.121 -2.764 3.000 1.00 0.00 H new ATOM 0 HA ASN A 71 11.165 -1.058 3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.120 -3.035 5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.443 -2.008 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.507 -0.475 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.096 -0.680 7.428 1.00 0.00 H new ATOM 1110 N ARG A 72 14.122 0.314 4.473 1.00 0.00 N ATOM 1111 CA ARG A 72 14.801 1.566 4.767 1.00 0.00 C ATOM 1112 C ARG A 72 14.811 2.486 3.549 1.00 0.00 C ATOM 1113 O ARG A 72 14.362 3.622 3.625 1.00 0.00 O ATOM 1114 CB ARG A 72 16.218 1.223 5.184 1.00 0.00 C ATOM 1115 CG ARG A 72 16.283 0.259 6.381 1.00 0.00 C ATOM 1116 CD ARG A 72 17.574 -0.543 6.248 1.00 0.00 C ATOM 1117 NE ARG A 72 18.224 -0.848 7.531 1.00 0.00 N ATOM 1118 CZ ARG A 72 18.723 0.042 8.397 1.00 0.00 C ATOM 1119 NH1 ARG A 72 18.609 1.355 8.225 1.00 0.00 N ATOM 1120 NH2 ARG A 72 19.398 -0.372 9.459 1.00 0.00 N ATOM 0 H ARG A 72 14.733 -0.502 4.508 1.00 0.00 H new ATOM 0 HA ARG A 72 14.280 2.098 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.740 0.777 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.747 2.142 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.269 0.811 7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.418 -0.404 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.357 -1.478 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.272 0.013 5.622 1.00 0.00 H new ATOM 0 HE ARG A 72 18.302 -1.833 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.125 1.722 7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.006 1.996 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.538 -1.370 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.778 0.307 10.118 1.00 0.00 H new ATOM 1134 N LEU A 73 15.221 1.948 2.398 1.00 0.00 N ATOM 1135 CA LEU A 73 15.335 2.645 1.116 1.00 0.00 C ATOM 1136 C LEU A 73 14.013 3.267 0.684 1.00 0.00 C ATOM 1137 O LEU A 73 13.977 4.124 -0.204 1.00 0.00 O ATOM 1138 CB LEU A 73 15.715 1.651 0.008 1.00 0.00 C ATOM 1139 CG LEU A 73 17.156 1.142 0.050 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.470 0.276 1.277 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.421 0.325 -1.223 1.00 0.00 C ATOM 0 H LEU A 73 15.495 0.968 2.332 1.00 0.00 H new ATOM 0 HA LEU A 73 16.090 3.418 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.043 0.795 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.543 2.126 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 73 17.803 2.016 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.510 -0.048 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.305 0.857 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.818 -0.597 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.446 -0.047 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.730 -0.517 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.276 0.958 -2.098 1.00 0.00 H new ATOM 1153 N CYS A 74 12.909 2.769 1.224 1.00 0.00 N ATOM 1154 CA CYS A 74 11.580 3.181 0.892 1.00 0.00 C ATOM 1155 C CYS A 74 11.119 4.142 1.978 1.00 0.00 C ATOM 1156 O CYS A 74 10.473 5.109 1.609 1.00 0.00 O ATOM 1157 CB CYS A 74 10.684 1.951 0.680 1.00 0.00 C ATOM 1158 SG CYS A 74 9.335 2.434 -0.431 1.00 0.00 S ATOM 0 H CYS A 74 12.932 2.037 1.934 1.00 0.00 H new ATOM 0 HA CYS A 74 11.530 3.717 -0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.258 1.130 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.287 1.599 1.632 1.00 0.00 H new ATOM 0 HG CYS A 74 9.052 3.690 -0.249 1.00 0.00 H new ATOM 1164 N GLU A 75 11.486 3.985 3.259 1.00 0.00 N ATOM 1165 CA GLU A 75 11.278 5.011 4.299 1.00 0.00 C ATOM 1166 C GLU A 75 11.966 6.314 3.889 1.00 0.00 C ATOM 1167 O GLU A 75 11.467 7.418 4.092 1.00 0.00 O ATOM 1168 CB GLU A 75 11.835 4.573 5.661 1.00 0.00 C ATOM 1169 CG GLU A 75 11.281 3.234 6.167 1.00 0.00 C ATOM 1170 CD GLU A 75 11.001 3.240 7.663 1.00 0.00 C ATOM 1171 OE1 GLU A 75 11.850 3.741 8.434 1.00 0.00 O ATOM 1172 OE2 GLU A 75 9.976 2.678 8.110 1.00 0.00 O ATOM 0 H GLU A 75 11.938 3.139 3.607 1.00 0.00 H new ATOM 0 HA GLU A 75 10.202 5.156 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.920 4.501 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.614 5.346 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.361 3.000 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.993 2.441 5.938 1.00 0.00 H new ATOM 1179 N GLU A 76 13.087 6.174 3.194 1.00 0.00 N ATOM 1180 CA GLU A 76 13.872 7.261 2.603 1.00 0.00 C ATOM 1181 C GLU A 76 13.115 7.943 1.441 1.00 0.00 C ATOM 1182 O GLU A 76 13.583 8.927 0.852 1.00 0.00 O ATOM 1183 CB GLU A 76 15.240 6.712 2.158 1.00 0.00 C ATOM 1184 CG GLU A 76 16.169 6.398 3.344 1.00 0.00 C ATOM 1185 CD GLU A 76 17.413 5.630 2.890 1.00 0.00 C ATOM 1186 OE1 GLU A 76 18.255 6.233 2.179 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.569 4.432 3.207 1.00 0.00 O ATOM 0 H GLU A 76 13.497 5.257 3.016 1.00 0.00 H new ATOM 0 HA GLU A 76 14.033 8.035 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.090 5.807 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.724 7.439 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.470 7.327 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.628 5.811 4.087 1.00 0.00 H new ATOM 1194 N MET A 77 11.915 7.449 1.133 1.00 0.00 N ATOM 1195 CA MET A 77 10.899 8.084 0.319 1.00 0.00 C ATOM 1196 C MET A 77 9.649 8.376 1.159 1.00 0.00 C ATOM 1197 O MET A 77 9.083 9.433 0.956 1.00 0.00 O ATOM 1198 CB MET A 77 10.529 7.213 -0.894 1.00 0.00 C ATOM 1199 CG MET A 77 11.736 6.769 -1.731 1.00 0.00 C ATOM 1200 SD MET A 77 11.326 5.641 -3.095 1.00 0.00 S ATOM 1201 CE MET A 77 10.473 6.783 -4.212 1.00 0.00 C ATOM 0 H MET A 77 11.616 6.535 1.472 1.00 0.00 H new ATOM 0 HA MET A 77 11.308 9.024 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.996 6.329 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.841 7.768 -1.532 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.224 7.653 -2.141 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.458 6.281 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.248 6.275 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.545 7.119 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.112 7.643 -4.410 1.00 0.00 H new ATOM 1211 N LEU A 78 9.186 7.487 2.046 1.00 0.00 N ATOM 1212 CA LEU A 78 7.871 7.524 2.699 1.00 0.00 C ATOM 1213 C LEU A 78 7.918 8.503 3.866 1.00 0.00 C ATOM 1214 O LEU A 78 7.417 9.624 3.774 1.00 0.00 O ATOM 1215 CB LEU A 78 7.459 6.130 3.211 1.00 0.00 C ATOM 1216 CG LEU A 78 7.379 5.004 2.168 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.968 3.716 2.765 1.00 0.00 C ATOM 1218 CD2 LEU A 78 5.936 4.783 1.698 1.00 0.00 C ATOM 0 H LEU A 78 9.743 6.685 2.342 1.00 0.00 H new ATOM 0 HA LEU A 78 7.132 7.846 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.167 5.829 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.484 6.219 3.690 1.00 0.00 H new ATOM 0 HG LEU A 78 7.961 5.291 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.913 2.915 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.009 3.885 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.400 3.433 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.912 3.980 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.313 4.511 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.555 5.700 1.248 1.00 0.00 H new ATOM 1230 N ASP A 79 8.638 8.112 4.917 1.00 0.00 N ATOM 1231 CA ASP A 79 8.954 8.917 6.083 1.00 0.00 C ATOM 1232 C ASP A 79 9.561 10.230 5.608 1.00 0.00 C ATOM 1233 O ASP A 79 9.313 11.289 6.160 1.00 0.00 O ATOM 1234 CB ASP A 79 9.973 8.186 6.974 1.00 0.00 C ATOM 1235 CG ASP A 79 9.471 6.877 7.578 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.001 6.003 6.817 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.597 6.699 8.814 1.00 0.00 O ATOM 0 H ASP A 79 9.035 7.174 4.975 1.00 0.00 H new ATOM 0 HA ASP A 79 8.047 9.097 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.867 7.979 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.271 8.853 7.783 1.00 0.00 H new ATOM 1242 N ASN A 80 10.321 10.191 4.524 1.00 0.00 N ATOM 1243 CA ASN A 80 10.951 11.367 3.965 1.00 0.00 C ATOM 1244 C ASN A 80 10.036 12.221 3.084 1.00 0.00 C ATOM 1245 O ASN A 80 10.392 13.365 2.804 1.00 0.00 O ATOM 1246 CB ASN A 80 12.105 10.840 3.135 1.00 0.00 C ATOM 1247 CG ASN A 80 13.007 11.918 2.564 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.119 12.076 1.350 1.00 0.00 O ATOM 1249 ND2 ASN A 80 13.679 12.667 3.416 1.00 0.00 N ATOM 0 H ASN A 80 10.516 9.334 4.007 1.00 0.00 H new ATOM 0 HA ASN A 80 11.251 12.031 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.704 10.170 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.705 10.245 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.306 13.394 3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.572 12.520 4.420 1.00 0.00 H new ATOM 1256 N ARG A 81 8.890 11.721 2.611 1.00 0.00 N ATOM 1257 CA ARG A 81 7.922 12.489 1.821 1.00 0.00 C ATOM 1258 C ARG A 81 7.237 13.486 2.742 1.00 0.00 C ATOM 1259 O ARG A 81 7.052 14.651 2.380 1.00 0.00 O ATOM 1260 CB ARG A 81 6.832 11.584 1.219 1.00 0.00 C ATOM 1261 CG ARG A 81 6.724 11.646 -0.319 1.00 0.00 C ATOM 1262 CD ARG A 81 6.583 10.208 -0.807 1.00 0.00 C ATOM 1263 NE ARG A 81 6.167 10.046 -2.209 1.00 0.00 N ATOM 1264 CZ ARG A 81 6.041 8.850 -2.802 1.00 0.00 C ATOM 1265 NH1 ARG A 81 6.396 7.742 -2.149 1.00 0.00 N ATOM 1266 NH2 ARG A 81 5.558 8.768 -4.036 1.00 0.00 N ATOM 0 H ARG A 81 8.604 10.755 2.769 1.00 0.00 H new ATOM 0 HA ARG A 81 8.459 12.980 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.029 10.554 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.870 11.861 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.865 12.244 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.608 12.116 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.539 9.702 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.859 9.698 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 81 5.965 10.883 -2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.763 7.805 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.300 6.832 -2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.283 9.615 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.462 7.858 -4.487 1.00 0.00 H new ATOM 1280 N ALA A 82 6.765 12.965 3.876 1.00 0.00 N ATOM 1281 CA ALA A 82 5.733 13.580 4.693 1.00 0.00 C ATOM 1282 C ALA A 82 5.825 13.170 6.162 1.00 0.00 C ATOM 1283 O ALA A 82 4.964 13.588 6.931 1.00 0.00 O ATOM 1284 CB ALA A 82 4.358 13.193 4.123 1.00 0.00 C ATOM 0 H ALA A 82 7.103 12.081 4.256 1.00 0.00 H new ATOM 0 HA ALA A 82 5.874 14.660 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.573 13.648 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.277 13.548 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.248 12.109 4.142 1.00 0.00 H new ATOM 1290 N THR A 83 6.803 12.341 6.558 1.00 0.00 N ATOM 1291 CA THR A 83 6.944 11.840 7.933 1.00 0.00 C ATOM 1292 C THR A 83 5.672 11.164 8.475 1.00 0.00 C ATOM 1293 O THR A 83 5.455 11.098 9.688 1.00 0.00 O ATOM 1294 CB THR A 83 7.564 12.916 8.854 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.678 13.947 9.245 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.792 13.594 8.235 1.00 0.00 C ATOM 0 H THR A 83 7.525 11.996 5.926 1.00 0.00 H new ATOM 0 HA THR A 83 7.661 11.019 7.916 1.00 0.00 H new ATOM 0 HB THR A 83 7.840 12.337 9.735 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.928 13.989 8.616 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.184 14.339 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.559 12.846 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.508 14.080 7.302 1.00 0.00 H new ATOM 1304 N LEU A 84 4.808 10.697 7.572 1.00 0.00 N ATOM 1305 CA LEU A 84 3.488 10.157 7.849 1.00 0.00 C ATOM 1306 C LEU A 84 3.134 9.159 6.759 1.00 0.00 C ATOM 1307 O LEU A 84 2.683 8.057 7.071 1.00 0.00 O ATOM 1308 CB LEU A 84 2.480 11.316 7.875 1.00 0.00 C ATOM 1309 CG LEU A 84 1.170 11.043 8.644 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.280 9.974 7.994 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.430 10.662 10.107 1.00 0.00 C ATOM 0 H LEU A 84 5.028 10.688 6.576 1.00 0.00 H new ATOM 0 HA LEU A 84 3.467 9.649 8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.965 12.186 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.229 11.579 6.847 1.00 0.00 H new ATOM 0 HG LEU A 84 0.630 11.989 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.621 9.838 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.004 10.292 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.825 9.031 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.480 10.479 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.041 9.760 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.954 11.476 10.607 1.00 0.00 H new ATOM 1323 N GLN A 85 3.374 9.533 5.500 1.00 0.00 N ATOM 1324 CA GLN A 85 3.470 8.608 4.381 1.00 0.00 C ATOM 1325 C GLN A 85 4.426 7.492 4.764 1.00 0.00 C ATOM 1326 O GLN A 85 5.427 7.745 5.466 1.00 0.00 O ATOM 1327 CB GLN A 85 3.867 9.382 3.107 1.00 0.00 C ATOM 1328 CG GLN A 85 3.608 8.674 1.764 1.00 0.00 C ATOM 1329 CD GLN A 85 3.412 9.647 0.598 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.849 10.790 0.612 1.00 0.00 O ATOM 1331 NE2 GLN A 85 2.782 9.214 -0.481 1.00 0.00 N ATOM 0 H GLN A 85 3.509 10.507 5.230 1.00 0.00 H new ATOM 0 HA GLN A 85 2.513 8.139 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.329 10.330 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.929 9.619 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.446 8.014 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.723 8.045 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.412 8.264 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.666 9.830 -1.286 1.00 0.00 H new TER 1340 GLN A 85