USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.0395 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.42) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 138:sc= 0.339 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 98:sc= 0.3 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.4 F(o=-2.3,f=-1.4) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 49 HIS : no HD1:sc= -3.14! K(o=-3.1!,f=-3.7) USER MOD Single : A 53 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.04) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-8.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.062 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.481 -7.343 -7.977 1.00 0.00 N ATOM 2 CA GLY A 1 10.733 -8.160 -6.805 1.00 0.00 C ATOM 3 C GLY A 1 9.531 -8.241 -5.885 1.00 0.00 C ATOM 4 O GLY A 1 8.429 -8.571 -6.321 1.00 0.00 O ATOM 0 H1 GLY A 1 11.333 -7.319 -8.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.690 -7.747 -8.518 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.239 -6.376 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.014 -9.165 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.580 -7.750 -6.255 1.00 0.00 H new ATOM 8 N SER A 2 9.744 -7.939 -4.607 1.00 0.00 N ATOM 9 CA SER A 2 8.670 -7.984 -3.623 1.00 0.00 C ATOM 10 C SER A 2 8.114 -9.399 -3.489 1.00 0.00 C ATOM 11 O SER A 2 6.902 -9.595 -3.403 1.00 0.00 O ATOM 12 CB SER A 2 7.550 -7.019 -4.012 1.00 0.00 C ATOM 13 OG SER A 2 6.728 -6.715 -2.899 1.00 0.00 O ATOM 0 H SER A 2 10.650 -7.661 -4.230 1.00 0.00 H new ATOM 0 HA SER A 2 9.082 -7.681 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.980 -6.101 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.945 -7.460 -4.805 1.00 0.00 H new ATOM 0 HG SER A 2 6.376 -7.545 -2.516 1.00 0.00 H new ATOM 19 N SER A 3 9.009 -10.382 -3.475 1.00 0.00 N ATOM 20 CA SER A 3 8.610 -11.779 -3.358 1.00 0.00 C ATOM 21 C SER A 3 9.417 -12.485 -2.272 1.00 0.00 C ATOM 22 O SER A 3 10.593 -12.792 -2.459 1.00 0.00 O ATOM 23 CB SER A 3 8.791 -12.498 -4.695 1.00 0.00 C ATOM 24 OG SER A 3 7.740 -12.183 -5.591 1.00 0.00 O ATOM 0 H SER A 3 10.016 -10.236 -3.543 1.00 0.00 H new ATOM 0 HA SER A 3 7.557 -11.808 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.746 -12.215 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.822 -13.575 -4.531 1.00 0.00 H new ATOM 0 HG SER A 3 7.881 -12.654 -6.439 1.00 0.00 H new ATOM 30 N GLY A 4 8.775 -12.741 -1.137 1.00 0.00 N ATOM 31 CA GLY A 4 9.448 -13.409 -0.038 1.00 0.00 C ATOM 32 C GLY A 4 8.563 -13.549 1.185 1.00 0.00 C ATOM 33 O GLY A 4 8.078 -12.554 1.725 1.00 0.00 O ATOM 0 H GLY A 4 7.801 -12.498 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.773 -14.397 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.345 -12.850 0.228 1.00 0.00 H new ATOM 37 N SER A 5 8.348 -14.786 1.620 1.00 0.00 N ATOM 38 CA SER A 5 7.511 -15.052 2.784 1.00 0.00 C ATOM 39 C SER A 5 8.364 -15.237 4.036 1.00 0.00 C ATOM 40 O SER A 5 8.147 -14.574 5.050 1.00 0.00 O ATOM 41 CB SER A 5 6.656 -16.299 2.548 1.00 0.00 C ATOM 42 OG SER A 5 5.674 -16.442 3.559 1.00 0.00 O ATOM 0 H SER A 5 8.742 -15.620 1.184 1.00 0.00 H new ATOM 0 HA SER A 5 6.857 -14.193 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.172 -16.233 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.294 -17.183 2.528 1.00 0.00 H new ATOM 0 HG SER A 5 5.140 -17.245 3.385 1.00 0.00 H new ATOM 48 N SER A 6 9.333 -16.143 3.956 1.00 0.00 N ATOM 49 CA SER A 6 10.216 -16.417 5.083 1.00 0.00 C ATOM 50 C SER A 6 10.941 -15.151 5.528 1.00 0.00 C ATOM 51 O SER A 6 11.456 -14.395 4.704 1.00 0.00 O ATOM 52 CB SER A 6 11.234 -17.498 4.709 1.00 0.00 C ATOM 53 OG SER A 6 12.211 -16.989 3.818 1.00 0.00 O ATOM 0 H SER A 6 9.526 -16.699 3.123 1.00 0.00 H new ATOM 0 HA SER A 6 9.605 -16.774 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.719 -17.873 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.721 -18.342 4.248 1.00 0.00 H new ATOM 0 HG SER A 6 12.851 -17.697 3.595 1.00 0.00 H new ATOM 59 N GLY A 7 10.978 -14.925 6.837 1.00 0.00 N ATOM 60 CA GLY A 7 11.641 -13.750 7.369 1.00 0.00 C ATOM 61 C GLY A 7 10.662 -12.682 7.814 1.00 0.00 C ATOM 62 O GLY A 7 10.213 -12.680 8.959 1.00 0.00 O ATOM 0 H GLY A 7 10.560 -15.536 7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.265 -14.041 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.305 -13.336 6.610 1.00 0.00 H new ATOM 66 N ASN A 8 10.331 -11.770 6.905 1.00 0.00 N ATOM 67 CA ASN A 8 9.399 -10.690 7.210 1.00 0.00 C ATOM 68 C ASN A 8 8.085 -10.878 6.460 1.00 0.00 C ATOM 69 O ASN A 8 8.052 -11.462 5.376 1.00 0.00 O ATOM 70 CB ASN A 8 10.018 -9.338 6.848 1.00 0.00 C ATOM 71 CG ASN A 8 10.276 -9.200 5.360 1.00 0.00 C ATOM 72 OD1 ASN A 8 9.368 -8.898 4.586 1.00 0.00 O ATOM 73 ND2 ASN A 8 11.520 -9.425 4.953 1.00 0.00 N ATOM 0 H ASN A 8 10.694 -11.757 5.952 1.00 0.00 H new ATOM 0 HA ASN A 8 9.192 -10.713 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.353 -8.538 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.956 -9.214 7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.754 -9.350 3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.241 -9.673 5.630 1.00 0.00 H new ATOM 80 N LYS A 9 7.001 -10.379 7.043 1.00 0.00 N ATOM 81 CA LYS A 9 5.682 -10.489 6.431 1.00 0.00 C ATOM 82 C LYS A 9 5.431 -9.332 5.467 1.00 0.00 C ATOM 83 O LYS A 9 5.911 -8.219 5.680 1.00 0.00 O ATOM 84 CB LYS A 9 4.596 -10.512 7.509 1.00 0.00 C ATOM 85 CG LYS A 9 4.310 -11.900 8.055 1.00 0.00 C ATOM 86 CD LYS A 9 5.409 -12.368 8.993 1.00 0.00 C ATOM 87 CE LYS A 9 5.369 -13.875 9.190 1.00 0.00 C ATOM 88 NZ LYS A 9 6.587 -14.376 9.886 1.00 0.00 N ATOM 0 H LYS A 9 7.010 -9.894 7.940 1.00 0.00 H new ATOM 0 HA LYS A 9 5.647 -11.422 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.898 -9.863 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.677 -10.097 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.357 -11.894 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.212 -12.604 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.380 -12.078 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.302 -11.871 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.485 -14.142 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.277 -14.366 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.521 -15.408 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.429 -14.143 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.662 -13.927 10.821 1.00 0.00 H new ATOM 102 N VAL A 10 4.676 -9.605 4.408 1.00 0.00 N ATOM 103 CA VAL A 10 4.360 -8.587 3.413 1.00 0.00 C ATOM 104 C VAL A 10 2.885 -8.206 3.467 1.00 0.00 C ATOM 105 O VAL A 10 2.046 -8.988 3.915 1.00 0.00 O ATOM 106 CB VAL A 10 4.703 -9.067 1.991 1.00 0.00 C ATOM 107 CG1 VAL A 10 6.139 -9.565 1.926 1.00 0.00 C ATOM 108 CG2 VAL A 10 3.734 -10.152 1.545 1.00 0.00 C ATOM 0 H VAL A 10 4.272 -10.522 4.217 1.00 0.00 H new ATOM 0 HA VAL A 10 4.967 -7.713 3.650 1.00 0.00 H new ATOM 0 HB VAL A 10 4.605 -8.222 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.362 -9.900 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.817 -8.756 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.268 -10.396 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.992 -10.479 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.796 -10.999 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.718 -9.757 1.549 1.00 0.00 H new ATOM 118 N ARG A 11 2.575 -6.998 3.006 1.00 0.00 N ATOM 119 CA ARG A 11 1.200 -6.512 3.002 1.00 0.00 C ATOM 120 C ARG A 11 0.863 -5.845 1.672 1.00 0.00 C ATOM 121 O ARG A 11 1.376 -4.770 1.357 1.00 0.00 O ATOM 122 CB ARG A 11 0.982 -5.524 4.150 1.00 0.00 C ATOM 123 CG ARG A 11 0.465 -6.176 5.423 1.00 0.00 C ATOM 124 CD ARG A 11 -1.055 -6.193 5.462 1.00 0.00 C ATOM 125 NE ARG A 11 -1.564 -6.625 6.761 1.00 0.00 N ATOM 126 CZ ARG A 11 -1.452 -5.903 7.870 1.00 0.00 C ATOM 127 NH1 ARG A 11 -0.854 -4.721 7.840 1.00 0.00 N ATOM 128 NH2 ARG A 11 -1.942 -6.365 9.015 1.00 0.00 N ATOM 0 H ARG A 11 3.257 -6.339 2.631 1.00 0.00 H new ATOM 0 HA ARG A 11 0.539 -7.368 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.923 -5.018 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.275 -4.759 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.843 -7.196 5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.846 -5.637 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.435 -5.196 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.430 -6.860 4.686 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.031 -7.530 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.477 -4.362 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.770 -4.170 8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.404 -7.274 9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.856 -5.811 9.867 1.00 0.00 H new ATOM 142 N ARG A 12 -0.002 -6.488 0.895 1.00 0.00 N ATOM 143 CA ARG A 12 -0.405 -5.958 -0.401 1.00 0.00 C ATOM 144 C ARG A 12 -1.811 -5.366 -0.334 1.00 0.00 C ATOM 145 O ARG A 12 -2.753 -6.027 0.103 1.00 0.00 O ATOM 146 CB ARG A 12 -0.354 -7.057 -1.465 1.00 0.00 C ATOM 147 CG ARG A 12 -0.045 -6.540 -2.860 1.00 0.00 C ATOM 148 CD ARG A 12 -0.311 -7.600 -3.918 1.00 0.00 C ATOM 149 NE ARG A 12 -0.153 -7.073 -5.272 1.00 0.00 N ATOM 150 CZ ARG A 12 -0.394 -7.783 -6.368 1.00 0.00 C ATOM 151 NH1 ARG A 12 -0.800 -9.041 -6.272 1.00 0.00 N ATOM 152 NH2 ARG A 12 -0.229 -7.234 -7.565 1.00 0.00 N ATOM 0 H ARG A 12 -0.437 -7.377 1.141 1.00 0.00 H new ATOM 0 HA ARG A 12 0.292 -5.166 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.402 -7.790 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.311 -7.578 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.652 -5.659 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.998 -6.227 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.372 -8.437 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.322 -7.989 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 12 0.159 -6.108 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.928 -9.467 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.984 -9.583 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.083 -6.266 -7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.414 -7.780 -8.406 1.00 0.00 H new ATOM 166 N VAL A 13 -1.943 -4.117 -0.767 1.00 0.00 N ATOM 167 CA VAL A 13 -3.233 -3.436 -0.757 1.00 0.00 C ATOM 168 C VAL A 13 -3.508 -2.760 -2.095 1.00 0.00 C ATOM 169 O VAL A 13 -2.613 -2.618 -2.928 1.00 0.00 O ATOM 170 CB VAL A 13 -3.301 -2.381 0.363 1.00 0.00 C ATOM 171 CG1 VAL A 13 -2.987 -3.011 1.711 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.350 -1.230 0.069 1.00 0.00 C ATOM 0 H VAL A 13 -1.173 -3.555 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.992 -4.197 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.315 -1.984 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.040 -2.250 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.711 -3.798 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.984 -3.438 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.411 -0.494 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.330 -1.609 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.627 -0.762 -0.876 1.00 0.00 H new ATOM 182 N LYS A 14 -4.754 -2.344 -2.295 1.00 0.00 N ATOM 183 CA LYS A 14 -5.151 -1.681 -3.532 1.00 0.00 C ATOM 184 C LYS A 14 -6.003 -0.449 -3.239 1.00 0.00 C ATOM 185 O LYS A 14 -6.929 -0.500 -2.430 1.00 0.00 O ATOM 186 CB LYS A 14 -5.925 -2.649 -4.429 1.00 0.00 C ATOM 187 CG LYS A 14 -6.143 -2.129 -5.839 1.00 0.00 C ATOM 188 CD LYS A 14 -7.345 -2.786 -6.496 1.00 0.00 C ATOM 189 CE LYS A 14 -7.260 -2.713 -8.014 1.00 0.00 C ATOM 190 NZ LYS A 14 -8.398 -3.417 -8.667 1.00 0.00 N ATOM 0 H LYS A 14 -5.507 -2.454 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.247 -1.361 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.386 -3.595 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.893 -2.858 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.288 -1.049 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.252 -2.316 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.407 -3.828 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.258 -2.297 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.251 -1.669 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.321 -3.154 -8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.304 -3.345 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.392 -4.419 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.293 -2.980 -8.369 1.00 0.00 H new ATOM 204 N THR A 15 -5.684 0.657 -3.905 1.00 0.00 N ATOM 205 CA THR A 15 -6.420 1.900 -3.717 1.00 0.00 C ATOM 206 C THR A 15 -7.824 1.802 -4.303 1.00 0.00 C ATOM 207 O THR A 15 -8.020 1.983 -5.505 1.00 0.00 O ATOM 208 CB THR A 15 -5.688 3.090 -4.366 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.436 2.815 -5.748 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.375 3.372 -3.652 1.00 0.00 C ATOM 0 H THR A 15 -4.921 0.716 -4.579 1.00 0.00 H new ATOM 0 HA THR A 15 -6.488 2.067 -2.642 1.00 0.00 H new ATOM 0 HB THR A 15 -6.325 3.970 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.628 3.615 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.876 4.216 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.573 3.610 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.734 2.492 -3.709 1.00 0.00 H new ATOM 218 N ILE A 16 -8.798 1.515 -3.446 1.00 0.00 N ATOM 219 CA ILE A 16 -10.186 1.395 -3.879 1.00 0.00 C ATOM 220 C ILE A 16 -10.802 2.766 -4.135 1.00 0.00 C ATOM 221 O ILE A 16 -11.863 2.876 -4.751 1.00 0.00 O ATOM 222 CB ILE A 16 -11.038 0.647 -2.837 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.695 1.129 -1.426 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.824 -0.854 -2.957 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.702 0.701 -0.381 1.00 0.00 C ATOM 0 H ILE A 16 -8.652 1.361 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.179 0.824 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.090 0.860 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.712 0.748 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.626 2.217 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.433 -1.369 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.113 -1.184 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.772 -1.086 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.396 1.077 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.683 1.104 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.754 -0.387 -0.350 1.00 0.00 H new ATOM 237 N TYR A 17 -10.130 3.808 -3.660 1.00 0.00 N ATOM 238 CA TYR A 17 -10.612 5.173 -3.837 1.00 0.00 C ATOM 239 C TYR A 17 -9.486 6.094 -4.297 1.00 0.00 C ATOM 240 O TYR A 17 -8.316 5.863 -3.989 1.00 0.00 O ATOM 241 CB TYR A 17 -11.213 5.697 -2.531 1.00 0.00 C ATOM 242 CG TYR A 17 -12.272 4.791 -1.946 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.343 4.353 -2.715 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.201 4.372 -0.622 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.313 3.526 -2.184 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.166 3.543 -0.083 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.220 3.124 -0.868 1.00 0.00 C ATOM 248 OH TYR A 17 -15.184 2.299 -0.333 1.00 0.00 O ATOM 0 H TYR A 17 -9.250 3.734 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.384 5.161 -4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.415 5.828 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.647 6.681 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.418 4.665 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.378 4.700 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.140 3.196 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.095 3.225 0.947 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.969 2.109 0.604 1.00 0.00 H new ATOM 258 N ASP A 18 -9.848 7.138 -5.035 1.00 0.00 N ATOM 259 CA ASP A 18 -8.869 8.095 -5.537 1.00 0.00 C ATOM 260 C ASP A 18 -8.379 9.007 -4.417 1.00 0.00 C ATOM 261 O ASP A 18 -9.128 9.335 -3.496 1.00 0.00 O ATOM 262 CB ASP A 18 -9.475 8.931 -6.665 1.00 0.00 C ATOM 263 CG ASP A 18 -10.405 8.124 -7.549 1.00 0.00 C ATOM 264 OD1 ASP A 18 -11.497 7.746 -7.074 1.00 0.00 O ATOM 265 OD2 ASP A 18 -10.042 7.871 -8.717 1.00 0.00 O ATOM 0 H ASP A 18 -10.812 7.343 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.017 7.538 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.023 9.770 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.674 9.350 -7.273 1.00 0.00 H new ATOM 270 N CYS A 19 -7.116 9.414 -4.504 1.00 0.00 N ATOM 271 CA CYS A 19 -6.524 10.288 -3.496 1.00 0.00 C ATOM 272 C CYS A 19 -5.446 11.174 -4.111 1.00 0.00 C ATOM 273 O CYS A 19 -4.676 10.729 -4.962 1.00 0.00 O ATOM 274 CB CYS A 19 -5.930 9.458 -2.357 1.00 0.00 C ATOM 275 SG CYS A 19 -5.647 10.391 -0.835 1.00 0.00 S ATOM 0 H CYS A 19 -6.484 9.153 -5.261 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.311 10.928 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.599 8.625 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.984 9.029 -2.689 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.633 10.189 -0.012 1.00 0.00 H new ATOM 281 N GLN A 20 -5.401 12.430 -3.677 1.00 0.00 N ATOM 282 CA GLN A 20 -4.419 13.379 -4.188 1.00 0.00 C ATOM 283 C GLN A 20 -3.577 13.953 -3.054 1.00 0.00 C ATOM 284 O GLN A 20 -3.947 14.951 -2.436 1.00 0.00 O ATOM 285 CB GLN A 20 -5.118 14.510 -4.944 1.00 0.00 C ATOM 286 CG GLN A 20 -4.177 15.336 -5.807 1.00 0.00 C ATOM 287 CD GLN A 20 -3.428 16.387 -5.012 1.00 0.00 C ATOM 288 OE1 GLN A 20 -2.119 16.210 -4.882 1.00 0.00 O flip ATOM 289 NE2 GLN A 20 -4.019 17.349 -4.521 1.00 0.00 N flip ATOM 0 H GLN A 20 -6.032 12.813 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.759 12.848 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.899 14.086 -5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.610 15.166 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.460 14.674 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.748 15.822 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.027 17.446 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.501 18.049 -3.990 1.00 0.00 H new ATOM 298 N ALA A 21 -2.442 13.316 -2.784 1.00 0.00 N ATOM 299 CA ALA A 21 -1.547 13.764 -1.726 1.00 0.00 C ATOM 300 C ALA A 21 -1.061 15.187 -1.983 1.00 0.00 C ATOM 301 O ALA A 21 -0.503 15.481 -3.040 1.00 0.00 O ATOM 302 CB ALA A 21 -0.364 12.816 -1.597 1.00 0.00 C ATOM 0 H ALA A 21 -2.121 12.487 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.104 13.762 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.296 13.164 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.724 11.815 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.185 12.789 -2.538 1.00 0.00 H new ATOM 308 N ASP A 22 -1.278 16.066 -1.011 1.00 0.00 N ATOM 309 CA ASP A 22 -0.862 17.458 -1.132 1.00 0.00 C ATOM 310 C ASP A 22 0.607 17.622 -0.755 1.00 0.00 C ATOM 311 O ASP A 22 1.349 18.352 -1.410 1.00 0.00 O ATOM 312 CB ASP A 22 -1.732 18.352 -0.246 1.00 0.00 C ATOM 313 CG ASP A 22 -1.190 19.764 -0.140 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.243 19.978 0.645 1.00 0.00 O ATOM 315 OD2 ASP A 22 -1.716 20.655 -0.840 1.00 0.00 O ATOM 0 H ASP A 22 -1.740 15.839 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.987 17.759 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.744 18.384 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.799 17.916 0.751 1.00 0.00 H new ATOM 320 N ASN A 23 1.020 16.937 0.307 1.00 0.00 N ATOM 321 CA ASN A 23 2.400 17.007 0.773 1.00 0.00 C ATOM 322 C ASN A 23 3.234 15.876 0.179 1.00 0.00 C ATOM 323 O ASN A 23 2.697 14.947 -0.425 1.00 0.00 O ATOM 324 CB ASN A 23 2.448 16.943 2.301 1.00 0.00 C ATOM 325 CG ASN A 23 2.290 18.308 2.942 1.00 0.00 C ATOM 326 OD1 ASN A 23 3.275 18.975 3.261 1.00 0.00 O ATOM 327 ND2 ASN A 23 1.045 18.730 3.135 1.00 0.00 N ATOM 0 H ASN A 23 0.418 16.327 0.861 1.00 0.00 H new ATOM 0 HA ASN A 23 2.821 17.956 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.658 16.283 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.396 16.505 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.876 19.640 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.259 18.144 2.855 1.00 0.00 H new ATOM 334 N ASP A 24 4.548 15.961 0.354 1.00 0.00 N ATOM 335 CA ASP A 24 5.455 14.945 -0.164 1.00 0.00 C ATOM 336 C ASP A 24 5.276 13.626 0.582 1.00 0.00 C ATOM 337 O ASP A 24 5.145 12.567 -0.033 1.00 0.00 O ATOM 338 CB ASP A 24 6.905 15.417 -0.046 1.00 0.00 C ATOM 339 CG ASP A 24 7.315 16.319 -1.195 1.00 0.00 C ATOM 340 OD1 ASP A 24 6.683 17.381 -1.369 1.00 0.00 O ATOM 341 OD2 ASP A 24 8.267 15.961 -1.920 1.00 0.00 O ATOM 0 H ASP A 24 5.008 16.724 0.851 1.00 0.00 H new ATOM 0 HA ASP A 24 5.217 14.784 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.035 15.951 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.565 14.550 -0.015 1.00 0.00 H new ATOM 346 N ASP A 25 5.271 13.698 1.908 1.00 0.00 N ATOM 347 CA ASP A 25 5.108 12.510 2.738 1.00 0.00 C ATOM 348 C ASP A 25 3.943 11.658 2.244 1.00 0.00 C ATOM 349 O ASP A 25 4.070 10.444 2.093 1.00 0.00 O ATOM 350 CB ASP A 25 4.884 12.908 4.197 1.00 0.00 C ATOM 351 CG ASP A 25 6.164 13.339 4.884 1.00 0.00 C ATOM 352 OD1 ASP A 25 7.216 12.720 4.620 1.00 0.00 O ATOM 353 OD2 ASP A 25 6.116 14.295 5.686 1.00 0.00 O ATOM 0 H ASP A 25 5.378 14.567 2.432 1.00 0.00 H new ATOM 0 HA ASP A 25 6.021 11.919 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.160 13.722 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.451 12.066 4.737 1.00 0.00 H new ATOM 358 N GLU A 26 2.807 12.305 1.997 1.00 0.00 N ATOM 359 CA GLU A 26 1.619 11.606 1.523 1.00 0.00 C ATOM 360 C GLU A 26 1.826 11.080 0.106 1.00 0.00 C ATOM 361 O GLU A 26 2.218 11.825 -0.795 1.00 0.00 O ATOM 362 CB GLU A 26 0.404 12.535 1.561 1.00 0.00 C ATOM 363 CG GLU A 26 -0.206 12.684 2.945 1.00 0.00 C ATOM 364 CD GLU A 26 -1.120 13.888 3.054 1.00 0.00 C ATOM 365 OE1 GLU A 26 -0.607 15.005 3.274 1.00 0.00 O ATOM 366 OE2 GLU A 26 -2.350 13.714 2.918 1.00 0.00 O ATOM 0 H GLU A 26 2.685 13.311 2.117 1.00 0.00 H new ATOM 0 HA GLU A 26 1.440 10.758 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.698 13.519 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.355 12.154 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.768 11.783 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.592 12.771 3.682 1.00 0.00 H new ATOM 373 N LEU A 27 1.561 9.793 -0.086 1.00 0.00 N ATOM 374 CA LEU A 27 1.719 9.165 -1.393 1.00 0.00 C ATOM 375 C LEU A 27 0.523 9.468 -2.290 1.00 0.00 C ATOM 376 O LEU A 27 -0.626 9.419 -1.851 1.00 0.00 O ATOM 377 CB LEU A 27 1.884 7.652 -1.239 1.00 0.00 C ATOM 378 CG LEU A 27 2.060 6.860 -2.535 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.418 7.150 -3.156 1.00 0.00 C ATOM 380 CD2 LEU A 27 1.898 5.370 -2.274 1.00 0.00 C ATOM 0 H LEU A 27 1.235 9.163 0.647 1.00 0.00 H new ATOM 0 HA LEU A 27 2.614 9.576 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.748 7.464 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.011 7.263 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 27 1.288 7.172 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.526 6.578 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.497 8.214 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.205 6.866 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.026 4.821 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.649 5.043 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.903 5.177 -1.873 1.00 0.00 H new ATOM 392 N THR A 28 0.801 9.781 -3.553 1.00 0.00 N ATOM 393 CA THR A 28 -0.251 10.091 -4.513 1.00 0.00 C ATOM 394 C THR A 28 -0.653 8.853 -5.307 1.00 0.00 C ATOM 395 O THR A 28 0.185 8.208 -5.937 1.00 0.00 O ATOM 396 CB THR A 28 0.190 11.194 -5.492 1.00 0.00 C ATOM 397 OG1 THR A 28 0.573 12.369 -4.768 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.930 11.535 -6.464 1.00 0.00 C ATOM 0 H THR A 28 1.746 9.826 -3.934 1.00 0.00 H new ATOM 0 HA THR A 28 -1.108 10.446 -3.940 1.00 0.00 H new ATOM 0 HB THR A 28 1.043 10.823 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.854 13.065 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.595 12.317 -7.146 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.199 10.646 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.799 11.886 -5.908 1.00 0.00 H new ATOM 406 N PHE A 29 -1.941 8.526 -5.273 1.00 0.00 N ATOM 407 CA PHE A 29 -2.455 7.365 -5.989 1.00 0.00 C ATOM 408 C PHE A 29 -3.865 7.626 -6.507 1.00 0.00 C ATOM 409 O PHE A 29 -4.480 8.642 -6.180 1.00 0.00 O ATOM 410 CB PHE A 29 -2.453 6.135 -5.078 1.00 0.00 C ATOM 411 CG PHE A 29 -3.224 6.331 -3.805 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.593 6.117 -3.770 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.581 6.729 -2.644 1.00 0.00 C ATOM 414 CE1 PHE A 29 -5.306 6.298 -2.599 1.00 0.00 C ATOM 415 CE2 PHE A 29 -3.289 6.910 -1.470 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.653 6.694 -1.448 1.00 0.00 C ATOM 0 H PHE A 29 -2.648 9.049 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.803 7.178 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.874 5.289 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.423 5.876 -4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.108 5.806 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.515 6.900 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.373 6.130 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.776 7.220 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.208 6.834 -0.532 1.00 0.00 H new ATOM 426 N ILE A 30 -4.372 6.703 -7.318 1.00 0.00 N ATOM 427 CA ILE A 30 -5.711 6.832 -7.880 1.00 0.00 C ATOM 428 C ILE A 30 -6.474 5.515 -7.789 1.00 0.00 C ATOM 429 O ILE A 30 -5.876 4.445 -7.691 1.00 0.00 O ATOM 430 CB ILE A 30 -5.661 7.283 -9.352 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.851 6.288 -10.187 1.00 0.00 C ATOM 432 CG2 ILE A 30 -5.065 8.680 -9.458 1.00 0.00 C ATOM 433 CD1 ILE A 30 -5.295 6.208 -11.630 1.00 0.00 C ATOM 0 H ILE A 30 -3.876 5.858 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.229 7.590 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.678 7.312 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.799 6.571 -10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.930 5.299 -9.736 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.036 8.985 -10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.679 9.381 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.053 8.675 -9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.677 5.484 -12.161 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.338 5.895 -11.673 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.190 7.187 -12.098 1.00 0.00 H new ATOM 445 N GLU A 31 -7.800 5.604 -7.826 1.00 0.00 N ATOM 446 CA GLU A 31 -8.647 4.418 -7.749 1.00 0.00 C ATOM 447 C GLU A 31 -8.229 3.383 -8.788 1.00 0.00 C ATOM 448 O GLU A 31 -8.217 3.660 -9.988 1.00 0.00 O ATOM 449 CB GLU A 31 -10.114 4.798 -7.952 1.00 0.00 C ATOM 450 CG GLU A 31 -11.067 3.617 -7.858 1.00 0.00 C ATOM 451 CD GLU A 31 -12.352 3.842 -8.633 1.00 0.00 C ATOM 452 OE1 GLU A 31 -13.129 4.739 -8.244 1.00 0.00 O ATOM 453 OE2 GLU A 31 -12.580 3.121 -9.626 1.00 0.00 O ATOM 0 H GLU A 31 -8.311 6.483 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.527 3.981 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.395 5.541 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.227 5.269 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.571 2.723 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.306 3.430 -6.811 1.00 0.00 H new ATOM 460 N GLY A 32 -7.884 2.187 -8.320 1.00 0.00 N ATOM 461 CA GLY A 32 -7.469 1.128 -9.222 1.00 0.00 C ATOM 462 C GLY A 32 -5.962 1.007 -9.320 1.00 0.00 C ATOM 463 O GLY A 32 -5.412 0.900 -10.416 1.00 0.00 O ATOM 0 H GLY A 32 -7.885 1.933 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.885 0.180 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.880 1.318 -10.213 1.00 0.00 H new ATOM 467 N GLU A 33 -5.292 1.026 -8.172 1.00 0.00 N ATOM 468 CA GLU A 33 -3.839 0.920 -8.133 1.00 0.00 C ATOM 469 C GLU A 33 -3.389 0.008 -6.997 1.00 0.00 C ATOM 470 O GLU A 33 -4.125 -0.213 -6.034 1.00 0.00 O ATOM 471 CB GLU A 33 -3.208 2.305 -7.971 1.00 0.00 C ATOM 472 CG GLU A 33 -3.438 3.222 -9.162 1.00 0.00 C ATOM 473 CD GLU A 33 -2.423 3.009 -10.266 1.00 0.00 C ATOM 474 OE1 GLU A 33 -2.680 2.170 -11.154 1.00 0.00 O ATOM 475 OE2 GLU A 33 -1.371 3.682 -10.244 1.00 0.00 O ATOM 0 H GLU A 33 -5.733 1.114 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.508 0.486 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.613 2.777 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.136 2.190 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.440 3.054 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.396 4.259 -8.830 1.00 0.00 H new ATOM 482 N VAL A 34 -2.175 -0.520 -7.114 1.00 0.00 N ATOM 483 CA VAL A 34 -1.626 -1.409 -6.097 1.00 0.00 C ATOM 484 C VAL A 34 -0.435 -0.768 -5.392 1.00 0.00 C ATOM 485 O VAL A 34 0.371 -0.078 -6.019 1.00 0.00 O ATOM 486 CB VAL A 34 -1.186 -2.754 -6.705 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.695 -3.696 -5.615 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.327 -3.382 -7.490 1.00 0.00 C ATOM 0 H VAL A 34 -1.553 -0.347 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.420 -1.589 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.361 -2.570 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.388 -4.641 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.154 -3.246 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.498 -3.876 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.999 -4.332 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.174 -3.554 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.627 -2.711 -8.295 1.00 0.00 H new ATOM 498 N ILE A 35 -0.330 -1.000 -4.089 1.00 0.00 N ATOM 499 CA ILE A 35 0.763 -0.447 -3.300 1.00 0.00 C ATOM 500 C ILE A 35 1.381 -1.508 -2.394 1.00 0.00 C ATOM 501 O ILE A 35 0.668 -2.276 -1.748 1.00 0.00 O ATOM 502 CB ILE A 35 0.291 0.737 -2.436 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.393 1.791 -3.308 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.467 1.346 -1.684 1.00 0.00 C ATOM 505 CD1 ILE A 35 -0.987 2.937 -2.518 1.00 0.00 C ATOM 0 H ILE A 35 -0.989 -1.568 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 35 1.514 -0.094 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.432 0.371 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.331 2.188 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.182 1.314 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.118 2.182 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.916 0.592 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.210 1.701 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.455 3.646 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.735 2.552 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.199 3.440 -1.958 1.00 0.00 H new ATOM 517 N ILE A 36 2.708 -1.544 -2.354 1.00 0.00 N ATOM 518 CA ILE A 36 3.420 -2.509 -1.526 1.00 0.00 C ATOM 519 C ILE A 36 3.715 -1.935 -0.144 1.00 0.00 C ATOM 520 O ILE A 36 4.542 -1.034 0.002 1.00 0.00 O ATOM 521 CB ILE A 36 4.744 -2.946 -2.182 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.471 -3.651 -3.512 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.524 -3.855 -1.244 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.762 -4.979 -3.357 1.00 0.00 C ATOM 0 H ILE A 36 3.312 -0.916 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 36 2.770 -3.378 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 36 5.345 -2.059 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.868 -2.998 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.417 -3.811 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.457 -4.156 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.745 -3.321 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.930 -4.741 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.601 -5.422 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.373 -5.649 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.801 -4.823 -2.867 1.00 0.00 H new ATOM 536 N VAL A 37 3.036 -2.465 0.868 1.00 0.00 N ATOM 537 CA VAL A 37 3.227 -2.007 2.239 1.00 0.00 C ATOM 538 C VAL A 37 4.542 -2.524 2.813 1.00 0.00 C ATOM 539 O VAL A 37 4.649 -3.689 3.198 1.00 0.00 O ATOM 540 CB VAL A 37 2.070 -2.460 3.149 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.364 -2.113 4.601 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.760 -1.833 2.695 1.00 0.00 C ATOM 0 H VAL A 37 2.349 -3.212 0.764 1.00 0.00 H new ATOM 0 HA VAL A 37 3.250 -0.918 2.208 1.00 0.00 H new ATOM 0 HB VAL A 37 1.973 -3.543 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.535 -2.441 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.279 -2.615 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.489 -1.035 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.047 -2.163 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.842 -0.747 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.546 -2.139 1.671 1.00 0.00 H new ATOM 552 N THR A 38 5.542 -1.651 2.868 1.00 0.00 N ATOM 553 CA THR A 38 6.851 -2.018 3.394 1.00 0.00 C ATOM 554 C THR A 38 6.994 -1.601 4.854 1.00 0.00 C ATOM 555 O THR A 38 7.826 -2.137 5.584 1.00 0.00 O ATOM 556 CB THR A 38 7.986 -1.378 2.574 1.00 0.00 C ATOM 557 OG1 THR A 38 7.797 0.040 2.501 1.00 0.00 O ATOM 558 CG2 THR A 38 8.036 -1.960 1.170 1.00 0.00 C ATOM 0 H THR A 38 5.471 -0.683 2.554 1.00 0.00 H new ATOM 0 HA THR A 38 6.928 -3.103 3.320 1.00 0.00 H new ATOM 0 HB THR A 38 8.931 -1.594 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.524 0.440 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.846 -1.492 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.209 -3.035 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.089 -1.771 0.664 1.00 0.00 H new ATOM 566 N GLY A 39 6.177 -0.639 5.272 1.00 0.00 N ATOM 567 CA GLY A 39 6.229 -0.166 6.643 1.00 0.00 C ATOM 568 C GLY A 39 4.888 0.342 7.133 1.00 0.00 C ATOM 569 O GLY A 39 4.317 1.264 6.551 1.00 0.00 O ATOM 0 H GLY A 39 5.480 -0.179 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.566 -0.975 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.967 0.633 6.721 1.00 0.00 H new ATOM 573 N GLU A 40 4.382 -0.263 8.203 1.00 0.00 N ATOM 574 CA GLU A 40 3.097 0.133 8.768 1.00 0.00 C ATOM 575 C GLU A 40 3.291 0.919 10.061 1.00 0.00 C ATOM 576 O GLU A 40 3.739 0.373 11.069 1.00 0.00 O ATOM 577 CB GLU A 40 2.229 -1.100 9.031 1.00 0.00 C ATOM 578 CG GLU A 40 1.919 -1.905 7.781 1.00 0.00 C ATOM 579 CD GLU A 40 3.005 -2.910 7.449 1.00 0.00 C ATOM 580 OE1 GLU A 40 4.058 -2.493 6.925 1.00 0.00 O ATOM 581 OE2 GLU A 40 2.801 -4.113 7.714 1.00 0.00 O ATOM 0 H GLU A 40 4.842 -1.029 8.696 1.00 0.00 H new ATOM 0 HA GLU A 40 2.593 0.775 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.735 -1.743 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.293 -0.783 9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.973 -2.430 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.789 -1.225 6.939 1.00 0.00 H new ATOM 588 N GLU A 41 2.950 2.202 10.024 1.00 0.00 N ATOM 589 CA GLU A 41 3.088 3.064 11.192 1.00 0.00 C ATOM 590 C GLU A 41 2.115 2.648 12.292 1.00 0.00 C ATOM 591 O GLU A 41 2.503 2.477 13.447 1.00 0.00 O ATOM 592 CB GLU A 41 2.846 4.525 10.808 1.00 0.00 C ATOM 593 CG GLU A 41 3.631 5.514 11.653 1.00 0.00 C ATOM 594 CD GLU A 41 3.131 6.938 11.501 1.00 0.00 C ATOM 595 OE1 GLU A 41 2.018 7.231 11.985 1.00 0.00 O ATOM 596 OE2 GLU A 41 3.854 7.759 10.898 1.00 0.00 O ATOM 0 H GLU A 41 2.576 2.668 9.198 1.00 0.00 H new ATOM 0 HA GLU A 41 4.105 2.960 11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.111 4.665 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.782 4.745 10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.568 5.221 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.683 5.471 11.373 1.00 0.00 H new ATOM 603 N ASP A 42 0.848 2.489 11.923 1.00 0.00 N ATOM 604 CA ASP A 42 -0.181 2.093 12.877 1.00 0.00 C ATOM 605 C ASP A 42 -1.246 1.236 12.201 1.00 0.00 C ATOM 606 O ASP A 42 -1.138 0.911 11.019 1.00 0.00 O ATOM 607 CB ASP A 42 -0.827 3.329 13.505 1.00 0.00 C ATOM 608 CG ASP A 42 0.179 4.204 14.226 1.00 0.00 C ATOM 609 OD1 ASP A 42 0.698 3.770 15.277 1.00 0.00 O ATOM 610 OD2 ASP A 42 0.449 5.322 13.740 1.00 0.00 O ATOM 0 H ASP A 42 0.510 2.628 10.971 1.00 0.00 H new ATOM 0 HA ASP A 42 0.293 1.502 13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.320 3.912 12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.600 3.015 14.207 1.00 0.00 H new ATOM 615 N GLN A 43 -2.275 0.871 12.961 1.00 0.00 N ATOM 616 CA GLN A 43 -3.359 0.049 12.436 1.00 0.00 C ATOM 617 C GLN A 43 -4.331 0.890 11.615 1.00 0.00 C ATOM 618 O GLN A 43 -5.373 0.401 11.180 1.00 0.00 O ATOM 619 CB GLN A 43 -4.102 -0.644 13.579 1.00 0.00 C ATOM 620 CG GLN A 43 -3.274 -1.700 14.292 1.00 0.00 C ATOM 621 CD GLN A 43 -4.075 -2.470 15.325 1.00 0.00 C ATOM 622 OE1 GLN A 43 -5.163 -2.971 15.036 1.00 0.00 O ATOM 623 NE2 GLN A 43 -3.540 -2.570 16.535 1.00 0.00 N ATOM 0 H GLN A 43 -2.380 1.132 13.942 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.924 -0.709 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.419 0.107 14.303 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.006 -1.108 13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.870 -2.397 13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.424 -1.222 14.779 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.636 -2.139 16.730 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.032 -3.078 17.270 1.00 0.00 H new ATOM 632 N GLU A 44 -3.983 2.156 11.409 1.00 0.00 N ATOM 633 CA GLU A 44 -4.826 3.064 10.643 1.00 0.00 C ATOM 634 C GLU A 44 -4.048 3.684 9.486 1.00 0.00 C ATOM 635 O GLU A 44 -4.612 3.982 8.433 1.00 0.00 O ATOM 636 CB GLU A 44 -5.382 4.167 11.547 1.00 0.00 C ATOM 637 CG GLU A 44 -6.360 3.660 12.594 1.00 0.00 C ATOM 638 CD GLU A 44 -7.615 3.069 11.982 1.00 0.00 C ATOM 639 OE1 GLU A 44 -7.914 3.393 10.814 1.00 0.00 O ATOM 640 OE2 GLU A 44 -8.299 2.284 12.672 1.00 0.00 O ATOM 0 H GLU A 44 -3.123 2.575 11.762 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.656 2.488 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.553 4.667 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.879 4.915 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.870 2.905 13.208 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.635 4.481 13.257 1.00 0.00 H new ATOM 647 N TRP A 45 -2.750 3.878 9.691 1.00 0.00 N ATOM 648 CA TRP A 45 -1.893 4.464 8.667 1.00 0.00 C ATOM 649 C TRP A 45 -0.697 3.563 8.377 1.00 0.00 C ATOM 650 O TRP A 45 0.017 3.151 9.292 1.00 0.00 O ATOM 651 CB TRP A 45 -1.411 5.847 9.106 1.00 0.00 C ATOM 652 CG TRP A 45 -2.511 6.863 9.179 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.444 6.990 10.168 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.792 7.893 8.225 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.289 8.037 9.886 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.909 8.607 8.700 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.207 8.282 7.017 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.452 9.686 8.008 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.748 9.353 6.331 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.860 10.046 6.828 1.00 0.00 C ATOM 0 H TRP A 45 -2.268 3.638 10.557 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.478 4.565 7.753 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.936 5.765 10.084 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.649 6.196 8.410 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.509 6.360 11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -5.072 8.340 10.466 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.348 7.756 6.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.310 10.220 8.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.306 9.661 5.395 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.257 10.880 6.269 1.00 0.00 H new ATOM 671 N TRP A 46 -0.483 3.262 7.102 1.00 0.00 N ATOM 672 CA TRP A 46 0.627 2.410 6.693 1.00 0.00 C ATOM 673 C TRP A 46 1.503 3.114 5.663 1.00 0.00 C ATOM 674 O TRP A 46 1.193 4.222 5.226 1.00 0.00 O ATOM 675 CB TRP A 46 0.103 1.093 6.120 1.00 0.00 C ATOM 676 CG TRP A 46 -0.651 0.268 7.120 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.530 0.315 8.479 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.640 -0.729 6.837 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.383 -0.591 9.059 1.00 0.00 N ATOM 680 CE2 TRP A 46 -2.076 -1.244 8.073 1.00 0.00 C ATOM 681 CE3 TRP A 46 -2.200 -1.234 5.662 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -3.046 -2.239 8.164 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -3.161 -2.223 5.753 1.00 0.00 C ATOM 684 CH2 TRP A 46 -3.577 -2.716 6.996 1.00 0.00 C ATOM 0 H TRP A 46 -1.064 3.596 6.333 1.00 0.00 H new ATOM 0 HA TRP A 46 1.233 2.199 7.574 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.548 1.307 5.272 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.942 0.511 5.739 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.139 0.969 9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.485 -0.752 10.061 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.888 -0.858 4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.368 -2.621 9.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.599 -2.623 4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.332 -3.488 7.034 1.00 0.00 H new ATOM 695 N ILE A 47 2.596 2.463 5.279 1.00 0.00 N ATOM 696 CA ILE A 47 3.515 3.029 4.298 1.00 0.00 C ATOM 697 C ILE A 47 3.944 1.979 3.279 1.00 0.00 C ATOM 698 O ILE A 47 4.234 0.837 3.631 1.00 0.00 O ATOM 699 CB ILE A 47 4.769 3.614 4.974 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.370 4.532 6.130 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.614 4.368 3.958 1.00 0.00 C ATOM 702 CD1 ILE A 47 4.294 3.824 7.466 1.00 0.00 C ATOM 0 H ILE A 47 2.867 1.545 5.631 1.00 0.00 H new ATOM 0 HA ILE A 47 2.980 3.830 3.788 1.00 0.00 H new ATOM 0 HB ILE A 47 5.364 2.794 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.090 5.348 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.401 4.980 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.497 4.776 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.923 3.687 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.029 5.182 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.006 4.536 8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.553 3.026 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.268 3.399 7.709 1.00 0.00 H new ATOM 714 N GLY A 48 3.983 2.375 2.010 1.00 0.00 N ATOM 715 CA GLY A 48 4.380 1.458 0.958 1.00 0.00 C ATOM 716 C GLY A 48 4.832 2.176 -0.298 1.00 0.00 C ATOM 717 O GLY A 48 5.052 3.388 -0.284 1.00 0.00 O ATOM 0 H GLY A 48 3.747 3.315 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.188 0.823 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.543 0.803 0.717 1.00 0.00 H new ATOM 721 N HIS A 49 4.972 1.428 -1.388 1.00 0.00 N ATOM 722 CA HIS A 49 5.403 2.001 -2.659 1.00 0.00 C ATOM 723 C HIS A 49 4.621 1.395 -3.821 1.00 0.00 C ATOM 724 O HIS A 49 4.296 0.208 -3.810 1.00 0.00 O ATOM 725 CB HIS A 49 6.901 1.773 -2.862 1.00 0.00 C ATOM 726 CG HIS A 49 7.302 0.331 -2.801 1.00 0.00 C ATOM 727 ND1 HIS A 49 6.934 -0.594 -3.755 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.045 -0.342 -1.892 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.430 -1.776 -3.434 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.110 -1.650 -2.309 1.00 0.00 N ATOM 0 H HIS A 49 4.793 0.424 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 49 5.207 3.073 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.195 2.182 -3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.451 2.327 -2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.502 0.071 -1.005 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.301 -2.689 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.604 -2.402 -1.828 1.00 0.00 H new ATOM 739 N ILE A 50 4.321 2.219 -4.819 1.00 0.00 N ATOM 740 CA ILE A 50 3.578 1.765 -5.987 1.00 0.00 C ATOM 741 C ILE A 50 4.315 0.638 -6.703 1.00 0.00 C ATOM 742 O ILE A 50 5.405 0.837 -7.236 1.00 0.00 O ATOM 743 CB ILE A 50 3.332 2.915 -6.980 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.505 4.021 -6.322 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.635 2.397 -8.229 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.057 3.640 -6.099 1.00 0.00 C ATOM 0 H ILE A 50 4.581 3.205 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 50 2.618 1.396 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 50 4.295 3.334 -7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.956 4.280 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.546 4.914 -6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.468 3.222 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.259 1.642 -8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.677 1.955 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.530 4.471 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.590 3.409 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.007 2.765 -5.450 1.00 0.00 H new ATOM 758 N GLU A 51 3.709 -0.546 -6.711 1.00 0.00 N ATOM 759 CA GLU A 51 4.308 -1.704 -7.363 1.00 0.00 C ATOM 760 C GLU A 51 5.083 -1.288 -8.610 1.00 0.00 C ATOM 761 O GLU A 51 4.627 -0.450 -9.387 1.00 0.00 O ATOM 762 CB GLU A 51 3.228 -2.721 -7.737 1.00 0.00 C ATOM 763 CG GLU A 51 3.779 -3.995 -8.356 1.00 0.00 C ATOM 764 CD GLU A 51 2.701 -4.845 -9.000 1.00 0.00 C ATOM 765 OE1 GLU A 51 2.386 -4.608 -10.185 1.00 0.00 O ATOM 766 OE2 GLU A 51 2.172 -5.748 -8.317 1.00 0.00 O ATOM 0 H GLU A 51 2.805 -0.728 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 51 5.004 -2.164 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.658 -2.978 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.532 -2.258 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.528 -3.736 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.285 -4.578 -7.587 1.00 0.00 H new ATOM 773 N GLY A 52 6.260 -1.879 -8.793 1.00 0.00 N ATOM 774 CA GLY A 52 7.080 -1.556 -9.946 1.00 0.00 C ATOM 775 C GLY A 52 7.833 -0.251 -9.775 1.00 0.00 C ATOM 776 O GLY A 52 9.007 -0.154 -10.131 1.00 0.00 O ATOM 0 H GLY A 52 6.660 -2.575 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.792 -2.363 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.448 -1.494 -10.832 1.00 0.00 H new ATOM 780 N GLN A 53 7.155 0.754 -9.230 1.00 0.00 N ATOM 781 CA GLN A 53 7.768 2.060 -9.015 1.00 0.00 C ATOM 782 C GLN A 53 8.063 2.286 -7.536 1.00 0.00 C ATOM 783 O GLN A 53 7.251 2.836 -6.793 1.00 0.00 O ATOM 784 CB GLN A 53 6.853 3.168 -9.539 1.00 0.00 C ATOM 785 CG GLN A 53 7.072 3.493 -11.008 1.00 0.00 C ATOM 786 CD GLN A 53 6.338 2.541 -11.932 1.00 0.00 C ATOM 787 OE1 GLN A 53 6.956 1.738 -12.632 1.00 0.00 O ATOM 788 NE2 GLN A 53 5.013 2.625 -11.939 1.00 0.00 N ATOM 0 H GLN A 53 6.182 0.689 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 53 8.710 2.086 -9.563 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.815 2.870 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.013 4.070 -8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.740 4.512 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.139 3.458 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.542 3.305 -11.343 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.466 2.009 -12.541 1.00 0.00 H new ATOM 797 N PRO A 54 9.253 1.850 -7.097 1.00 0.00 N ATOM 798 CA PRO A 54 9.685 1.994 -5.702 1.00 0.00 C ATOM 799 C PRO A 54 9.967 3.445 -5.330 1.00 0.00 C ATOM 800 O PRO A 54 9.773 3.850 -4.184 1.00 0.00 O ATOM 801 CB PRO A 54 10.970 1.165 -5.641 1.00 0.00 C ATOM 802 CG PRO A 54 11.484 1.161 -7.040 1.00 0.00 C ATOM 803 CD PRO A 54 10.271 1.185 -7.928 1.00 0.00 C ATOM 0 HA PRO A 54 8.917 1.666 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.693 1.605 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.772 0.153 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.120 2.027 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.089 0.275 -7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.459 1.735 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.962 0.179 -8.214 1.00 0.00 H new ATOM 811 N GLU A 55 10.428 4.223 -6.305 1.00 0.00 N ATOM 812 CA GLU A 55 10.738 5.629 -6.078 1.00 0.00 C ATOM 813 C GLU A 55 9.614 6.317 -5.308 1.00 0.00 C ATOM 814 O GLU A 55 9.863 7.138 -4.426 1.00 0.00 O ATOM 815 CB GLU A 55 10.971 6.345 -7.410 1.00 0.00 C ATOM 816 CG GLU A 55 9.799 6.240 -8.371 1.00 0.00 C ATOM 817 CD GLU A 55 10.213 6.416 -9.819 1.00 0.00 C ATOM 818 OE1 GLU A 55 11.049 5.622 -10.297 1.00 0.00 O ATOM 819 OE2 GLU A 55 9.703 7.350 -10.473 1.00 0.00 O ATOM 0 H GLU A 55 10.595 3.903 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 55 11.649 5.681 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.177 7.398 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.859 5.929 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.321 5.268 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.056 6.995 -8.115 1.00 0.00 H new ATOM 826 N ARG A 56 8.376 5.977 -5.651 1.00 0.00 N ATOM 827 CA ARG A 56 7.213 6.561 -4.995 1.00 0.00 C ATOM 828 C ARG A 56 6.847 5.779 -3.737 1.00 0.00 C ATOM 829 O ARG A 56 6.308 4.675 -3.814 1.00 0.00 O ATOM 830 CB ARG A 56 6.021 6.591 -5.954 1.00 0.00 C ATOM 831 CG ARG A 56 6.334 7.236 -7.294 1.00 0.00 C ATOM 832 CD ARG A 56 5.120 7.232 -8.211 1.00 0.00 C ATOM 833 NE ARG A 56 4.113 8.203 -7.789 1.00 0.00 N ATOM 834 CZ ARG A 56 4.210 9.508 -8.015 1.00 0.00 C ATOM 835 NH1 ARG A 56 5.262 9.996 -8.656 1.00 0.00 N ATOM 836 NH2 ARG A 56 3.251 10.327 -7.600 1.00 0.00 N ATOM 0 H ARG A 56 8.153 5.300 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 56 7.465 7.582 -4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.676 5.571 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.200 7.132 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.669 8.261 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.155 6.703 -7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.435 7.456 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.679 6.235 -8.225 1.00 0.00 H new ATOM 0 HE ARG A 56 3.290 7.860 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.000 9.369 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.334 10.999 -8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.439 9.954 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.326 11.329 -7.774 1.00 0.00 H new ATOM 850 N LYS A 57 7.146 6.358 -2.580 1.00 0.00 N ATOM 851 CA LYS A 57 6.849 5.716 -1.303 1.00 0.00 C ATOM 852 C LYS A 57 6.431 6.749 -0.260 1.00 0.00 C ATOM 853 O LYS A 57 7.188 7.664 0.059 1.00 0.00 O ATOM 854 CB LYS A 57 8.067 4.936 -0.806 1.00 0.00 C ATOM 855 CG LYS A 57 9.346 5.757 -0.779 1.00 0.00 C ATOM 856 CD LYS A 57 10.502 4.969 -0.185 1.00 0.00 C ATOM 857 CE LYS A 57 11.840 5.617 -0.506 1.00 0.00 C ATOM 858 NZ LYS A 57 11.930 7.002 0.035 1.00 0.00 N ATOM 0 H LYS A 57 7.594 7.271 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 57 6.021 5.024 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.864 4.562 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.217 4.066 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.600 6.070 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.185 6.664 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.380 4.900 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.487 3.951 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.646 5.012 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.983 5.639 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.895 7.365 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.256 7.615 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.702 6.994 1.050 1.00 0.00 H new ATOM 872 N GLY A 58 5.222 6.592 0.269 1.00 0.00 N ATOM 873 CA GLY A 58 4.725 7.517 1.271 1.00 0.00 C ATOM 874 C GLY A 58 3.612 6.920 2.109 1.00 0.00 C ATOM 875 O GLY A 58 3.036 5.894 1.750 1.00 0.00 O ATOM 0 H GLY A 58 4.578 5.841 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.545 7.817 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.362 8.420 0.780 1.00 0.00 H new ATOM 879 N VAL A 59 3.309 7.564 3.233 1.00 0.00 N ATOM 880 CA VAL A 59 2.259 7.091 4.125 1.00 0.00 C ATOM 881 C VAL A 59 0.877 7.377 3.548 1.00 0.00 C ATOM 882 O VAL A 59 0.636 8.446 2.989 1.00 0.00 O ATOM 883 CB VAL A 59 2.367 7.743 5.516 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.341 9.260 5.398 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.250 7.252 6.424 1.00 0.00 C ATOM 0 H VAL A 59 3.777 8.415 3.546 1.00 0.00 H new ATOM 0 HA VAL A 59 2.392 6.014 4.226 1.00 0.00 H new ATOM 0 HB VAL A 59 3.319 7.453 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.418 9.704 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.180 9.592 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.406 9.573 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.343 7.723 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.286 7.510 5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.320 6.170 6.535 1.00 0.00 H new ATOM 895 N PHE A 60 -0.028 6.415 3.688 1.00 0.00 N ATOM 896 CA PHE A 60 -1.387 6.562 3.180 1.00 0.00 C ATOM 897 C PHE A 60 -2.397 5.942 4.140 1.00 0.00 C ATOM 898 O PHE A 60 -2.093 5.009 4.884 1.00 0.00 O ATOM 899 CB PHE A 60 -1.513 5.912 1.801 1.00 0.00 C ATOM 900 CG PHE A 60 -1.047 4.484 1.767 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.287 4.181 1.555 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.946 3.445 1.948 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.717 2.868 1.523 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.523 2.130 1.916 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.188 1.841 1.704 1.00 0.00 C ATOM 0 H PHE A 60 0.155 5.524 4.150 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.601 7.627 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.554 5.954 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.936 6.492 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.000 4.980 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.990 3.666 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.761 2.645 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.234 1.329 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.146 0.814 1.680 1.00 0.00 H new ATOM 915 N PRO A 61 -3.630 6.472 4.126 1.00 0.00 N ATOM 916 CA PRO A 61 -4.710 5.987 4.990 1.00 0.00 C ATOM 917 C PRO A 61 -5.197 4.600 4.585 1.00 0.00 C ATOM 918 O PRO A 61 -5.646 4.393 3.459 1.00 0.00 O ATOM 919 CB PRO A 61 -5.819 7.023 4.786 1.00 0.00 C ATOM 920 CG PRO A 61 -5.556 7.600 3.438 1.00 0.00 C ATOM 921 CD PRO A 61 -4.062 7.587 3.266 1.00 0.00 C ATOM 0 HA PRO A 61 -4.388 5.884 6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.805 6.561 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.789 7.792 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.043 7.012 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.948 8.614 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.779 7.426 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.613 8.531 3.576 1.00 0.00 H new ATOM 929 N VAL A 62 -5.103 3.652 5.512 1.00 0.00 N ATOM 930 CA VAL A 62 -5.536 2.284 5.252 1.00 0.00 C ATOM 931 C VAL A 62 -7.020 2.232 4.908 1.00 0.00 C ATOM 932 O VAL A 62 -7.523 1.216 4.431 1.00 0.00 O ATOM 933 CB VAL A 62 -5.269 1.371 6.465 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.711 -0.053 6.167 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.799 1.414 6.849 1.00 0.00 C ATOM 0 H VAL A 62 -4.731 3.806 6.449 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.957 1.925 4.401 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.852 1.737 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.515 -0.684 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.778 -0.064 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.157 -0.434 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.628 0.764 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.193 1.073 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.520 2.436 7.107 1.00 0.00 H new ATOM 945 N SER A 63 -7.717 3.338 5.154 1.00 0.00 N ATOM 946 CA SER A 63 -9.146 3.418 4.873 1.00 0.00 C ATOM 947 C SER A 63 -9.394 3.694 3.393 1.00 0.00 C ATOM 948 O SER A 63 -10.530 3.641 2.921 1.00 0.00 O ATOM 949 CB SER A 63 -9.794 4.512 5.723 1.00 0.00 C ATOM 950 OG SER A 63 -9.650 4.237 7.105 1.00 0.00 O ATOM 0 H SER A 63 -7.316 4.190 5.547 1.00 0.00 H new ATOM 0 HA SER A 63 -9.595 2.458 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.338 5.475 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.852 4.592 5.473 1.00 0.00 H new ATOM 0 HG SER A 63 -10.071 4.952 7.626 1.00 0.00 H new ATOM 956 N PHE A 64 -8.322 3.991 2.665 1.00 0.00 N ATOM 957 CA PHE A 64 -8.422 4.277 1.239 1.00 0.00 C ATOM 958 C PHE A 64 -8.052 3.050 0.411 1.00 0.00 C ATOM 959 O PHE A 64 -8.469 2.916 -0.740 1.00 0.00 O ATOM 960 CB PHE A 64 -7.512 5.450 0.868 1.00 0.00 C ATOM 961 CG PHE A 64 -8.161 6.793 1.044 1.00 0.00 C ATOM 962 CD1 PHE A 64 -8.773 7.129 2.241 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.161 7.717 0.013 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.373 8.364 2.405 1.00 0.00 C ATOM 965 CE2 PHE A 64 -8.759 8.954 0.170 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.364 9.277 1.369 1.00 0.00 C ATOM 0 H PHE A 64 -7.374 4.040 3.040 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.456 4.544 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.611 5.408 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.197 5.341 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.781 6.419 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.688 7.469 -0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.848 8.614 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.753 9.665 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.830 10.243 1.496 1.00 0.00 H new ATOM 976 N VAL A 65 -7.267 2.157 1.005 1.00 0.00 N ATOM 977 CA VAL A 65 -6.841 0.941 0.323 1.00 0.00 C ATOM 978 C VAL A 65 -7.484 -0.293 0.947 1.00 0.00 C ATOM 979 O VAL A 65 -8.063 -0.223 2.032 1.00 0.00 O ATOM 980 CB VAL A 65 -5.309 0.782 0.363 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.627 2.113 0.084 1.00 0.00 C ATOM 982 CG2 VAL A 65 -4.867 0.217 1.704 1.00 0.00 C ATOM 0 H VAL A 65 -6.913 2.253 1.957 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.163 1.031 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.013 0.079 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.545 1.981 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.920 2.472 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.927 2.841 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.782 0.111 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.174 0.893 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.328 -0.759 1.858 1.00 0.00 H new ATOM 992 N HIS A 66 -7.380 -1.423 0.254 1.00 0.00 N ATOM 993 CA HIS A 66 -7.951 -2.673 0.741 1.00 0.00 C ATOM 994 C HIS A 66 -6.981 -3.833 0.529 1.00 0.00 C ATOM 995 O HIS A 66 -6.572 -4.113 -0.597 1.00 0.00 O ATOM 996 CB HIS A 66 -9.274 -2.964 0.032 1.00 0.00 C ATOM 997 CG HIS A 66 -9.119 -3.780 -1.214 1.00 0.00 C ATOM 998 ND1 HIS A 66 -8.749 -3.238 -2.427 1.00 0.00 N ATOM 999 CD2 HIS A 66 -9.285 -5.105 -1.431 1.00 0.00 C ATOM 1000 CE1 HIS A 66 -8.696 -4.196 -3.336 1.00 0.00 C ATOM 1001 NE2 HIS A 66 -9.016 -5.339 -2.757 1.00 0.00 N ATOM 0 H HIS A 66 -6.906 -1.498 -0.646 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.135 -2.567 1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.938 -3.488 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.757 -2.020 -0.220 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.575 -5.842 -0.697 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.435 -4.066 -4.376 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.057 -6.247 -3.219 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.618 -4.501 1.619 1.00 0.00 N ATOM 1011 CA ILE A 67 -5.698 -5.629 1.552 1.00 0.00 C ATOM 1012 C ILE A 67 -6.203 -6.693 0.584 1.00 0.00 C ATOM 1013 O ILE A 67 -7.265 -7.282 0.790 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.489 -6.268 2.936 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.046 -5.210 3.949 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.465 -7.390 2.853 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -4.899 -5.744 5.357 1.00 0.00 C ATOM 0 H ILE A 67 -6.947 -4.280 2.559 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.745 -5.238 1.194 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.436 -6.691 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.094 -4.788 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.771 -4.396 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.328 -7.832 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.817 -8.153 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.515 -6.990 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.583 -4.939 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.856 -6.140 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.153 -6.538 5.369 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.434 -6.937 -0.473 1.00 0.00 N ATOM 1030 CA LEU A 68 -5.803 -7.933 -1.473 1.00 0.00 C ATOM 1031 C LEU A 68 -5.587 -9.346 -0.939 1.00 0.00 C ATOM 1032 O LEU A 68 -4.671 -9.591 -0.154 1.00 0.00 O ATOM 1033 CB LEU A 68 -4.986 -7.728 -2.750 1.00 0.00 C ATOM 1034 CG LEU A 68 -5.123 -6.361 -3.421 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -3.887 -6.047 -4.250 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.374 -6.315 -4.287 1.00 0.00 C ATOM 0 H LEU A 68 -4.552 -6.459 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.861 -7.808 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.934 -7.891 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.275 -8.494 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.216 -5.603 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.003 -5.070 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.009 -6.037 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.763 -6.808 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.455 -5.335 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.311 -7.083 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.252 -6.494 -3.667 1.00 0.00 H new ATOM 1048 N SER A 69 -6.435 -10.273 -1.373 1.00 0.00 N ATOM 1049 CA SER A 69 -6.338 -11.661 -0.938 1.00 0.00 C ATOM 1050 C SER A 69 -6.481 -12.613 -2.122 1.00 0.00 C ATOM 1051 O SER A 69 -7.221 -12.338 -3.067 1.00 0.00 O ATOM 1052 CB SER A 69 -7.412 -11.966 0.109 1.00 0.00 C ATOM 1053 OG SER A 69 -8.681 -12.139 -0.498 1.00 0.00 O ATOM 0 H SER A 69 -7.197 -10.088 -2.025 1.00 0.00 H new ATOM 0 HA SER A 69 -5.354 -11.808 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.142 -12.868 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.460 -11.153 0.833 1.00 0.00 H new ATOM 0 HG SER A 69 -9.349 -12.334 0.191 1.00 0.00 H new ATOM 1059 N ASP A 70 -5.770 -13.732 -2.062 1.00 0.00 N ATOM 1060 CA ASP A 70 -5.817 -14.726 -3.129 1.00 0.00 C ATOM 1061 C ASP A 70 -6.788 -15.850 -2.781 1.00 0.00 C ATOM 1062 O ASP A 70 -6.968 -16.189 -1.611 1.00 0.00 O ATOM 1063 CB ASP A 70 -4.422 -15.302 -3.380 1.00 0.00 C ATOM 1064 CG ASP A 70 -4.260 -15.828 -4.793 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -4.831 -15.220 -5.722 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -3.562 -16.849 -4.969 1.00 0.00 O ATOM 0 H ASP A 70 -5.154 -13.975 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.168 -14.233 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.675 -14.531 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.232 -16.108 -2.671 1.00 0.00 H new ATOM 1071 N SER A 71 -7.413 -16.422 -3.804 1.00 0.00 N ATOM 1072 CA SER A 71 -8.371 -17.504 -3.608 1.00 0.00 C ATOM 1073 C SER A 71 -7.692 -18.863 -3.750 1.00 0.00 C ATOM 1074 O SER A 71 -7.987 -19.798 -3.008 1.00 0.00 O ATOM 1075 CB SER A 71 -9.519 -17.387 -4.612 1.00 0.00 C ATOM 1076 OG SER A 71 -10.441 -18.451 -4.458 1.00 0.00 O ATOM 0 H SER A 71 -7.273 -16.154 -4.778 1.00 0.00 H new ATOM 0 HA SER A 71 -8.773 -17.421 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.031 -16.435 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.121 -17.391 -5.627 1.00 0.00 H new ATOM 0 HG SER A 71 -11.166 -18.353 -5.110 1.00 0.00 H new ATOM 1082 N GLY A 72 -6.779 -18.964 -4.712 1.00 0.00 N ATOM 1083 CA GLY A 72 -6.072 -20.211 -4.936 1.00 0.00 C ATOM 1084 C GLY A 72 -4.602 -19.998 -5.238 1.00 0.00 C ATOM 1085 O GLY A 72 -4.179 -19.991 -6.393 1.00 0.00 O ATOM 0 H GLY A 72 -6.517 -18.204 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.171 -20.844 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.537 -20.745 -5.765 1.00 0.00 H new ATOM 1089 N PRO A 73 -3.797 -19.817 -4.181 1.00 0.00 N ATOM 1090 CA PRO A 73 -2.353 -19.598 -4.313 1.00 0.00 C ATOM 1091 C PRO A 73 -1.618 -20.849 -4.783 1.00 0.00 C ATOM 1092 O PRO A 73 -1.278 -21.718 -3.981 1.00 0.00 O ATOM 1093 CB PRO A 73 -1.920 -19.225 -2.893 1.00 0.00 C ATOM 1094 CG PRO A 73 -2.940 -19.852 -2.008 1.00 0.00 C ATOM 1095 CD PRO A 73 -4.234 -19.813 -2.774 1.00 0.00 C ATOM 0 HA PRO A 73 -2.122 -18.836 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.921 -19.600 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.891 -18.144 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.664 -20.877 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.027 -19.309 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.862 -20.674 -2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.815 -18.922 -2.536 1.00 0.00 H new ATOM 1103 N SER A 74 -1.376 -20.932 -6.087 1.00 0.00 N ATOM 1104 CA SER A 74 -0.683 -22.078 -6.665 1.00 0.00 C ATOM 1105 C SER A 74 0.822 -21.975 -6.435 1.00 0.00 C ATOM 1106 O SER A 74 1.438 -20.952 -6.731 1.00 0.00 O ATOM 1107 CB SER A 74 -0.976 -22.177 -8.162 1.00 0.00 C ATOM 1108 OG SER A 74 -0.759 -23.493 -8.638 1.00 0.00 O ATOM 0 H SER A 74 -1.649 -20.219 -6.764 1.00 0.00 H new ATOM 0 HA SER A 74 -1.048 -22.979 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.008 -21.883 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.339 -21.480 -8.707 1.00 0.00 H new ATOM 0 HG SER A 74 -0.955 -23.530 -9.597 1.00 0.00 H new ATOM 1114 N SER A 75 1.407 -23.044 -5.904 1.00 0.00 N ATOM 1115 CA SER A 75 2.838 -23.075 -5.631 1.00 0.00 C ATOM 1116 C SER A 75 3.363 -24.509 -5.635 1.00 0.00 C ATOM 1117 O SER A 75 2.594 -25.461 -5.754 1.00 0.00 O ATOM 1118 CB SER A 75 3.136 -22.415 -4.282 1.00 0.00 C ATOM 1119 OG SER A 75 4.521 -22.154 -4.137 1.00 0.00 O ATOM 0 H SER A 75 0.911 -23.900 -5.654 1.00 0.00 H new ATOM 0 HA SER A 75 3.345 -22.519 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.576 -21.483 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.798 -23.064 -3.474 1.00 0.00 H new ATOM 0 HG SER A 75 4.685 -21.731 -3.268 1.00 0.00 H new ATOM 1125 N GLY A 76 4.678 -24.652 -5.504 1.00 0.00 N ATOM 1126 CA GLY A 76 5.283 -25.971 -5.496 1.00 0.00 C ATOM 1127 C GLY A 76 6.705 -25.959 -6.022 1.00 0.00 C ATOM 1128 O GLY A 76 7.286 -27.014 -6.281 1.00 0.00 O ATOM 0 H GLY A 76 5.335 -23.878 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.278 -26.364 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.680 -26.648 -6.102 1.00 0.00 H new TER 1132 GLY A 76