USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 1.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 14 THR OG1 : rot -120:sc=-0.000601 USER MOD Single : A 17 MET CE :methyl -166:sc= -0.531 (180deg=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= -0.49 (180deg=-2.58!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 133:sc= -2.74 (180deg=-7.48!) USER MOD Single : A 39 TYR OH : rot -140:sc= 0.597 USER MOD Single : A 52 ASN : amide:sc= -5.19 K(o=-5.2,f=-9.1!) USER MOD Single : A 55 MET CE :methyl 155:sc= -0.399 (180deg=-1.74) USER MOD Single : A 60 GLN : amide:sc= -8.31! C(o=-8.3!,f=-12!) USER MOD Single : A 65 ASN : amide:sc= -2.58! C(o=-2.6!,f=-4.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -56:sc= 0.979 USER MOD Single : A 72 MET CE :methyl -148:sc= -3.88 (180deg=-10.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -144:sc= 1.5 (180deg=-0.356) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 49:sc= 0.455 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.823 -16.966 -17.328 1.00 0.00 N ATOM 2 CA GLY A 1 27.079 -17.460 -18.472 1.00 0.00 C ATOM 3 C GLY A 1 25.626 -17.030 -18.448 1.00 0.00 C ATOM 4 O GLY A 1 25.324 -15.836 -18.452 1.00 0.00 O ATOM 0 H1 GLY A 1 28.810 -17.287 -17.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.797 -15.926 -17.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.396 -17.330 -16.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.546 -17.100 -19.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.132 -18.548 -18.494 1.00 0.00 H new ATOM 8 N SER A 2 24.722 -18.004 -18.424 1.00 0.00 N ATOM 9 CA SER A 2 23.292 -17.720 -18.406 1.00 0.00 C ATOM 10 C SER A 2 22.856 -17.213 -17.034 1.00 0.00 C ATOM 11 O SER A 2 22.980 -17.918 -16.032 1.00 0.00 O ATOM 12 CB SER A 2 22.496 -18.974 -18.775 1.00 0.00 C ATOM 13 OG SER A 2 22.617 -19.266 -20.156 1.00 0.00 O ATOM 0 H SER A 2 24.955 -18.997 -18.417 1.00 0.00 H new ATOM 0 HA SER A 2 23.092 -16.942 -19.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.853 -19.821 -18.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.446 -18.830 -18.521 1.00 0.00 H new ATOM 0 HG SER A 2 22.101 -20.072 -20.366 1.00 0.00 H new ATOM 19 N SER A 3 22.346 -15.987 -16.998 1.00 0.00 N ATOM 20 CA SER A 3 21.895 -15.383 -15.750 1.00 0.00 C ATOM 21 C SER A 3 21.123 -14.095 -16.017 1.00 0.00 C ATOM 22 O SER A 3 21.688 -13.103 -16.477 1.00 0.00 O ATOM 23 CB SER A 3 23.089 -15.095 -14.837 1.00 0.00 C ATOM 24 OG SER A 3 23.412 -16.226 -14.047 1.00 0.00 O ATOM 0 H SER A 3 22.235 -15.392 -17.819 1.00 0.00 H new ATOM 0 HA SER A 3 21.229 -16.089 -15.254 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.951 -14.811 -15.440 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.860 -14.249 -14.189 1.00 0.00 H new ATOM 0 HG SER A 3 23.127 -17.041 -14.511 1.00 0.00 H new ATOM 30 N GLY A 4 19.826 -14.118 -15.725 1.00 0.00 N ATOM 31 CA GLY A 4 18.996 -12.947 -15.940 1.00 0.00 C ATOM 32 C GLY A 4 17.580 -13.307 -16.347 1.00 0.00 C ATOM 33 O GLY A 4 17.325 -13.641 -17.504 1.00 0.00 O ATOM 0 H GLY A 4 19.335 -14.927 -15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.968 -12.352 -15.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.446 -12.324 -16.713 1.00 0.00 H new ATOM 37 N SER A 5 16.657 -13.240 -15.393 1.00 0.00 N ATOM 38 CA SER A 5 15.261 -13.567 -15.656 1.00 0.00 C ATOM 39 C SER A 5 14.427 -12.299 -15.817 1.00 0.00 C ATOM 40 O SER A 5 14.937 -11.186 -15.683 1.00 0.00 O ATOM 41 CB SER A 5 14.693 -14.424 -14.523 1.00 0.00 C ATOM 42 OG SER A 5 14.508 -13.656 -13.346 1.00 0.00 O ATOM 0 H SER A 5 16.851 -12.962 -14.431 1.00 0.00 H new ATOM 0 HA SER A 5 15.215 -14.132 -16.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.741 -14.857 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.369 -15.254 -14.317 1.00 0.00 H new ATOM 0 HG SER A 5 14.143 -14.226 -12.638 1.00 0.00 H new ATOM 48 N SER A 6 13.142 -12.476 -16.104 1.00 0.00 N ATOM 49 CA SER A 6 12.237 -11.347 -16.287 1.00 0.00 C ATOM 50 C SER A 6 10.783 -11.811 -16.288 1.00 0.00 C ATOM 51 O SER A 6 10.440 -12.813 -16.913 1.00 0.00 O ATOM 52 CB SER A 6 12.553 -10.620 -17.595 1.00 0.00 C ATOM 53 OG SER A 6 13.658 -9.746 -17.439 1.00 0.00 O ATOM 0 H SER A 6 12.704 -13.390 -16.215 1.00 0.00 H new ATOM 0 HA SER A 6 12.380 -10.659 -15.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.769 -11.348 -18.377 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.680 -10.053 -17.920 1.00 0.00 H new ATOM 0 HG SER A 6 14.101 -9.928 -16.584 1.00 0.00 H new ATOM 59 N GLY A 7 9.933 -11.072 -15.581 1.00 0.00 N ATOM 60 CA GLY A 7 8.526 -11.423 -15.512 1.00 0.00 C ATOM 61 C GLY A 7 7.630 -10.205 -15.400 1.00 0.00 C ATOM 62 O GLY A 7 7.954 -9.139 -15.924 1.00 0.00 O ATOM 0 H GLY A 7 10.193 -10.237 -15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.252 -11.991 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.359 -12.074 -14.654 1.00 0.00 H new ATOM 66 N GLN A 8 6.501 -10.364 -14.718 1.00 0.00 N ATOM 67 CA GLN A 8 5.555 -9.268 -14.541 1.00 0.00 C ATOM 68 C GLN A 8 6.107 -8.222 -13.579 1.00 0.00 C ATOM 69 O GLN A 8 6.010 -7.020 -13.831 1.00 0.00 O ATOM 70 CB GLN A 8 4.218 -9.800 -14.023 1.00 0.00 C ATOM 71 CG GLN A 8 3.496 -10.701 -15.012 1.00 0.00 C ATOM 72 CD GLN A 8 3.937 -12.148 -14.912 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.993 -12.524 -15.422 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.128 -12.969 -14.253 1.00 0.00 N ATOM 0 H GLN A 8 6.219 -11.240 -14.279 1.00 0.00 H new ATOM 0 HA GLN A 8 5.399 -8.796 -15.511 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.390 -10.353 -13.099 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.573 -8.957 -13.775 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.422 -10.639 -14.837 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.675 -10.340 -16.025 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.262 -12.614 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.372 -13.954 -14.153 1.00 0.00 H new ATOM 83 N ASP A 9 6.687 -8.685 -12.478 1.00 0.00 N ATOM 84 CA ASP A 9 7.255 -7.789 -11.477 1.00 0.00 C ATOM 85 C ASP A 9 8.739 -7.551 -11.742 1.00 0.00 C ATOM 86 O ASP A 9 9.450 -8.446 -12.197 1.00 0.00 O ATOM 87 CB ASP A 9 7.061 -8.367 -10.075 1.00 0.00 C ATOM 88 CG ASP A 9 7.783 -9.686 -9.887 1.00 0.00 C ATOM 89 OD1 ASP A 9 7.192 -10.737 -10.211 1.00 0.00 O ATOM 90 OD2 ASP A 9 8.940 -9.668 -9.415 1.00 0.00 O ATOM 0 H ASP A 9 6.777 -9.676 -12.255 1.00 0.00 H new ATOM 0 HA ASP A 9 6.734 -6.834 -11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.422 -7.651 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.997 -8.509 -9.888 1.00 0.00 H new ATOM 95 N PHE A 10 9.198 -6.337 -11.455 1.00 0.00 N ATOM 96 CA PHE A 10 10.596 -5.980 -11.664 1.00 0.00 C ATOM 97 C PHE A 10 11.299 -5.733 -10.332 1.00 0.00 C ATOM 98 O PHE A 10 12.495 -5.993 -10.192 1.00 0.00 O ATOM 99 CB PHE A 10 10.701 -4.735 -12.547 1.00 0.00 C ATOM 100 CG PHE A 10 9.525 -3.809 -12.418 1.00 0.00 C ATOM 101 CD1 PHE A 10 9.384 -3.000 -11.302 1.00 0.00 C ATOM 102 CD2 PHE A 10 8.562 -3.747 -13.412 1.00 0.00 C ATOM 103 CE1 PHE A 10 8.304 -2.146 -11.180 1.00 0.00 C ATOM 104 CE2 PHE A 10 7.481 -2.895 -13.295 1.00 0.00 C ATOM 105 CZ PHE A 10 7.350 -2.094 -12.177 1.00 0.00 C ATOM 0 H PHE A 10 8.622 -5.584 -11.077 1.00 0.00 H new ATOM 0 HA PHE A 10 11.087 -6.814 -12.165 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.611 -4.192 -12.290 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.798 -5.044 -13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.126 -3.037 -10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.657 -4.372 -14.288 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.206 -1.520 -10.305 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.738 -2.855 -14.078 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.504 -1.429 -12.083 1.00 0.00 H new ATOM 115 N ASP A 11 10.549 -5.230 -9.359 1.00 0.00 N ATOM 116 CA ASP A 11 11.099 -4.948 -8.038 1.00 0.00 C ATOM 117 C ASP A 11 9.991 -4.877 -6.992 1.00 0.00 C ATOM 118 O ASP A 11 9.183 -3.949 -6.990 1.00 0.00 O ATOM 119 CB ASP A 11 11.883 -3.635 -8.058 1.00 0.00 C ATOM 120 CG ASP A 11 12.930 -3.569 -6.964 1.00 0.00 C ATOM 121 OD1 ASP A 11 13.508 -4.625 -6.632 1.00 0.00 O ATOM 122 OD2 ASP A 11 13.172 -2.461 -6.439 1.00 0.00 O ATOM 0 H ASP A 11 9.558 -5.009 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 11 11.774 -5.761 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.367 -3.519 -9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.191 -2.800 -7.945 1.00 0.00 H new ATOM 127 N TYR A 12 9.959 -5.865 -6.104 1.00 0.00 N ATOM 128 CA TYR A 12 8.948 -5.917 -5.055 1.00 0.00 C ATOM 129 C TYR A 12 9.476 -5.312 -3.758 1.00 0.00 C ATOM 130 O TYR A 12 10.069 -6.006 -2.931 1.00 0.00 O ATOM 131 CB TYR A 12 8.506 -7.362 -4.814 1.00 0.00 C ATOM 132 CG TYR A 12 7.400 -7.819 -5.738 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.290 -7.017 -5.975 1.00 0.00 C ATOM 134 CD2 TYR A 12 7.463 -9.053 -6.372 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.277 -7.430 -6.817 1.00 0.00 C ATOM 136 CE2 TYR A 12 6.455 -9.474 -7.218 1.00 0.00 C ATOM 137 CZ TYR A 12 5.364 -8.660 -7.437 1.00 0.00 C ATOM 138 OH TYR A 12 4.357 -9.076 -8.277 1.00 0.00 O ATOM 0 H TYR A 12 10.622 -6.640 -6.090 1.00 0.00 H new ATOM 0 HA TYR A 12 8.090 -5.332 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.366 -8.021 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.171 -7.463 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.219 -6.054 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.315 -9.695 -6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.421 -6.794 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.521 -10.436 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 12 4.573 -9.963 -8.632 1.00 0.00 H new ATOM 148 N PHE A 13 9.258 -4.013 -3.587 1.00 0.00 N ATOM 149 CA PHE A 13 9.712 -3.312 -2.391 1.00 0.00 C ATOM 150 C PHE A 13 8.527 -2.811 -1.571 1.00 0.00 C ATOM 151 O PHE A 13 7.437 -2.592 -2.102 1.00 0.00 O ATOM 152 CB PHE A 13 10.614 -2.137 -2.774 1.00 0.00 C ATOM 153 CG PHE A 13 9.858 -0.936 -3.267 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.390 0.017 -2.377 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.616 -0.761 -4.620 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.694 1.122 -2.827 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.920 0.343 -5.076 1.00 0.00 C ATOM 158 CZ PHE A 13 8.459 1.286 -4.179 1.00 0.00 C ATOM 0 H PHE A 13 8.770 -3.424 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 13 10.281 -4.015 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.211 -1.850 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.310 -2.461 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.571 -0.105 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.975 -1.495 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.334 1.857 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.737 0.468 -6.133 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.916 2.150 -4.533 1.00 0.00 H new ATOM 168 N THR A 14 8.747 -2.632 -0.272 1.00 0.00 N ATOM 169 CA THR A 14 7.698 -2.159 0.623 1.00 0.00 C ATOM 170 C THR A 14 7.830 -0.662 0.881 1.00 0.00 C ATOM 171 O THR A 14 8.917 -0.096 0.768 1.00 0.00 O ATOM 172 CB THR A 14 7.730 -2.906 1.970 1.00 0.00 C ATOM 173 OG1 THR A 14 9.029 -2.794 2.561 1.00 0.00 O ATOM 174 CG2 THR A 14 7.376 -4.373 1.783 1.00 0.00 C ATOM 0 H THR A 14 9.643 -2.808 0.184 1.00 0.00 H new ATOM 0 HA THR A 14 6.747 -2.357 0.129 1.00 0.00 H new ATOM 0 HB THR A 14 6.991 -2.452 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.412 -3.688 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.405 -4.880 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.375 -4.455 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.094 -4.837 1.107 1.00 0.00 H new ATOM 182 N VAL A 15 6.716 -0.026 1.230 1.00 0.00 N ATOM 183 CA VAL A 15 6.707 1.405 1.507 1.00 0.00 C ATOM 184 C VAL A 15 6.401 1.679 2.975 1.00 0.00 C ATOM 185 O VAL A 15 5.604 0.976 3.595 1.00 0.00 O ATOM 186 CB VAL A 15 5.673 2.140 0.633 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.668 3.628 0.948 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.957 1.900 -0.843 1.00 0.00 C ATOM 0 H VAL A 15 5.808 -0.480 1.328 1.00 0.00 H new ATOM 0 HA VAL A 15 7.703 1.779 1.270 1.00 0.00 H new ATOM 0 HB VAL A 15 4.684 1.742 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.931 4.130 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.413 3.777 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.656 4.045 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.217 2.426 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.953 2.269 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.904 0.832 -1.055 1.00 0.00 H new ATOM 198 N ASP A 16 7.040 2.706 3.525 1.00 0.00 N ATOM 199 CA ASP A 16 6.835 3.075 4.921 1.00 0.00 C ATOM 200 C ASP A 16 6.691 4.587 5.067 1.00 0.00 C ATOM 201 O ASP A 16 7.636 5.337 4.826 1.00 0.00 O ATOM 202 CB ASP A 16 7.999 2.576 5.778 1.00 0.00 C ATOM 203 CG ASP A 16 7.793 2.857 7.254 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.647 2.717 7.729 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.778 3.217 7.933 1.00 0.00 O ATOM 0 H ASP A 16 7.704 3.298 3.026 1.00 0.00 H new ATOM 0 HA ASP A 16 5.913 2.605 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.122 1.503 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.921 3.052 5.446 1.00 0.00 H new ATOM 210 N MET A 17 5.501 5.026 5.464 1.00 0.00 N ATOM 211 CA MET A 17 5.233 6.449 5.643 1.00 0.00 C ATOM 212 C MET A 17 4.205 6.673 6.748 1.00 0.00 C ATOM 213 O MET A 17 3.657 5.720 7.301 1.00 0.00 O ATOM 214 CB MET A 17 4.735 7.064 4.334 1.00 0.00 C ATOM 215 CG MET A 17 5.234 6.341 3.094 1.00 0.00 C ATOM 216 SD MET A 17 4.673 7.115 1.565 1.00 0.00 S ATOM 217 CE MET A 17 2.911 7.226 1.869 1.00 0.00 C ATOM 0 H MET A 17 4.708 4.418 5.668 1.00 0.00 H new ATOM 0 HA MET A 17 6.164 6.936 5.933 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.645 7.061 4.332 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.051 8.106 4.289 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.324 6.317 3.106 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.892 5.306 3.119 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.394 7.448 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.550 6.278 2.267 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.715 8.020 2.590 1.00 0.00 H new ATOM 227 N GLU A 18 3.949 7.939 7.063 1.00 0.00 N ATOM 228 CA GLU A 18 2.987 8.287 8.103 1.00 0.00 C ATOM 229 C GLU A 18 1.863 9.149 7.537 1.00 0.00 C ATOM 230 O GLU A 18 1.892 9.542 6.370 1.00 0.00 O ATOM 231 CB GLU A 18 3.685 9.026 9.247 1.00 0.00 C ATOM 232 CG GLU A 18 4.148 8.112 10.368 1.00 0.00 C ATOM 233 CD GLU A 18 5.388 8.631 11.070 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.323 9.076 10.372 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.423 8.593 12.318 1.00 0.00 O ATOM 0 H GLU A 18 4.393 8.740 6.614 1.00 0.00 H new ATOM 0 HA GLU A 18 2.555 7.363 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.545 9.564 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.004 9.772 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.344 7.999 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.353 7.121 9.963 1.00 0.00 H new ATOM 242 N LYS A 19 0.871 9.440 8.372 1.00 0.00 N ATOM 243 CA LYS A 19 -0.265 10.256 7.958 1.00 0.00 C ATOM 244 C LYS A 19 0.035 11.740 8.143 1.00 0.00 C ATOM 245 O LYS A 19 0.820 12.121 9.010 1.00 0.00 O ATOM 246 CB LYS A 19 -1.512 9.873 8.757 1.00 0.00 C ATOM 247 CG LYS A 19 -2.809 10.354 8.128 1.00 0.00 C ATOM 248 CD LYS A 19 -4.013 9.638 8.715 1.00 0.00 C ATOM 249 CE LYS A 19 -4.230 8.282 8.061 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.634 7.811 8.212 1.00 0.00 N ATOM 0 H LYS A 19 0.831 9.123 9.341 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.448 10.070 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.548 8.789 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.430 10.286 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.913 11.428 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.775 10.188 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.872 9.507 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.903 10.253 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.980 8.346 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.553 7.552 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.957 7.391 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.681 7.097 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.246 8.616 8.457 1.00 0.00 H new ATOM 264 N GLY A 20 -0.596 12.574 7.322 1.00 0.00 N ATOM 265 CA GLY A 20 -0.385 14.007 7.413 1.00 0.00 C ATOM 266 C GLY A 20 -1.577 14.732 8.005 1.00 0.00 C ATOM 267 O GLY A 20 -1.957 14.485 9.149 1.00 0.00 O ATOM 0 H GLY A 20 -1.250 12.283 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.496 14.203 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.179 14.405 6.419 1.00 0.00 H new ATOM 271 N ALA A 21 -2.167 15.632 7.225 1.00 0.00 N ATOM 272 CA ALA A 21 -3.322 16.396 7.678 1.00 0.00 C ATOM 273 C ALA A 21 -4.624 15.683 7.326 1.00 0.00 C ATOM 274 O ALA A 21 -5.440 15.389 8.200 1.00 0.00 O ATOM 275 CB ALA A 21 -3.302 17.792 7.074 1.00 0.00 C ATOM 0 H ALA A 21 -1.863 15.850 6.276 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.267 16.482 8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.171 18.351 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.392 18.308 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.329 17.718 5.987 1.00 0.00 H new ATOM 281 N LYS A 22 -4.813 15.409 6.040 1.00 0.00 N ATOM 282 CA LYS A 22 -6.015 14.730 5.570 1.00 0.00 C ATOM 283 C LYS A 22 -5.676 13.361 4.989 1.00 0.00 C ATOM 284 O LYS A 22 -6.371 12.861 4.106 1.00 0.00 O ATOM 285 CB LYS A 22 -6.727 15.581 4.516 1.00 0.00 C ATOM 286 CG LYS A 22 -8.233 15.385 4.493 1.00 0.00 C ATOM 287 CD LYS A 22 -8.956 16.664 4.104 1.00 0.00 C ATOM 288 CE LYS A 22 -9.313 17.496 5.326 1.00 0.00 C ATOM 289 NZ LYS A 22 -9.836 18.839 4.950 1.00 0.00 N ATOM 0 H LYS A 22 -4.148 15.647 5.304 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.678 14.588 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.509 16.633 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.323 15.340 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.487 14.594 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.573 15.058 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.326 17.250 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.863 16.417 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.060 16.968 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.431 17.613 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.068 19.375 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.114 19.353 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.692 18.728 4.370 1.00 0.00 H new ATOM 303 N GLY A 23 -4.602 12.759 5.493 1.00 0.00 N ATOM 304 CA GLY A 23 -4.190 11.453 5.012 1.00 0.00 C ATOM 305 C GLY A 23 -2.711 11.394 4.689 1.00 0.00 C ATOM 306 O GLY A 23 -1.959 12.311 5.019 1.00 0.00 O ATOM 0 H GLY A 23 -4.011 13.152 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.424 10.701 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.764 11.200 4.120 1.00 0.00 H new ATOM 310 N PHE A 24 -2.291 10.312 4.042 1.00 0.00 N ATOM 311 CA PHE A 24 -0.890 10.136 3.676 1.00 0.00 C ATOM 312 C PHE A 24 -0.565 10.891 2.390 1.00 0.00 C ATOM 313 O PHE A 24 0.177 10.401 1.540 1.00 0.00 O ATOM 314 CB PHE A 24 -0.570 8.650 3.502 1.00 0.00 C ATOM 315 CG PHE A 24 -0.696 7.857 4.771 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.944 7.546 5.288 1.00 0.00 C ATOM 317 CD2 PHE A 24 0.432 7.422 5.448 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.063 6.817 6.456 1.00 0.00 C ATOM 319 CE2 PHE A 24 0.319 6.693 6.617 1.00 0.00 C ATOM 320 CZ PHE A 24 -0.931 6.389 7.121 1.00 0.00 C ATOM 0 H PHE A 24 -2.900 9.544 3.760 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.276 10.542 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.238 8.228 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.445 8.548 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.833 7.877 4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.412 7.655 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.041 6.582 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.206 6.362 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.023 5.818 8.033 1.00 0.00 H new ATOM 330 N GLY A 25 -1.127 12.089 2.256 1.00 0.00 N ATOM 331 CA GLY A 25 -0.886 12.893 1.073 1.00 0.00 C ATOM 332 C GLY A 25 -0.710 12.050 -0.175 1.00 0.00 C ATOM 333 O GLY A 25 0.144 12.340 -1.014 1.00 0.00 O ATOM 0 H GLY A 25 -1.745 12.516 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.719 13.581 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.006 13.501 1.226 1.00 0.00 H new ATOM 337 N PHE A 26 -1.518 11.002 -0.298 1.00 0.00 N ATOM 338 CA PHE A 26 -1.445 10.112 -1.451 1.00 0.00 C ATOM 339 C PHE A 26 -2.794 9.449 -1.712 1.00 0.00 C ATOM 340 O PHE A 26 -3.496 9.058 -0.779 1.00 0.00 O ATOM 341 CB PHE A 26 -0.372 9.044 -1.231 1.00 0.00 C ATOM 342 CG PHE A 26 -0.891 7.803 -0.562 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.808 6.986 -1.203 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.460 7.453 0.708 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.287 5.844 -0.589 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.935 6.312 1.326 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.849 5.506 0.677 1.00 0.00 C ATOM 0 H PHE A 26 -2.231 10.748 0.386 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.179 10.709 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.063 8.774 -2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.430 9.465 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.152 7.244 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.255 8.079 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.003 5.216 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.592 6.051 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.221 4.613 1.158 1.00 0.00 H new ATOM 357 N SER A 27 -3.150 9.326 -2.986 1.00 0.00 N ATOM 358 CA SER A 27 -4.417 8.714 -3.371 1.00 0.00 C ATOM 359 C SER A 27 -4.182 7.442 -4.180 1.00 0.00 C ATOM 360 O SER A 27 -3.069 7.182 -4.639 1.00 0.00 O ATOM 361 CB SER A 27 -5.259 9.700 -4.182 1.00 0.00 C ATOM 362 OG SER A 27 -6.643 9.451 -4.010 1.00 0.00 O ATOM 0 H SER A 27 -2.579 9.642 -3.770 1.00 0.00 H new ATOM 0 HA SER A 27 -4.956 8.451 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.029 10.720 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.001 9.621 -5.238 1.00 0.00 H new ATOM 0 HG SER A 27 -7.159 10.096 -4.537 1.00 0.00 H new ATOM 368 N ILE A 28 -5.238 6.654 -4.352 1.00 0.00 N ATOM 369 CA ILE A 28 -5.148 5.410 -5.106 1.00 0.00 C ATOM 370 C ILE A 28 -6.234 5.336 -6.174 1.00 0.00 C ATOM 371 O ILE A 28 -7.149 6.159 -6.202 1.00 0.00 O ATOM 372 CB ILE A 28 -5.265 4.182 -4.184 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.026 4.547 -2.907 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.884 3.639 -3.848 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.641 3.354 -2.209 1.00 0.00 C ATOM 0 H ILE A 28 -6.166 6.855 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.169 5.401 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.822 3.404 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.346 5.049 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.813 5.259 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.983 2.771 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.375 3.346 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.303 4.410 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.164 3.687 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.346 2.864 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.856 2.651 -1.931 1.00 0.00 H new ATOM 387 N ARG A 29 -6.128 4.342 -7.050 1.00 0.00 N ATOM 388 CA ARG A 29 -7.102 4.159 -8.120 1.00 0.00 C ATOM 389 C ARG A 29 -7.216 2.686 -8.504 1.00 0.00 C ATOM 390 O ARG A 29 -6.410 1.859 -8.081 1.00 0.00 O ATOM 391 CB ARG A 29 -6.708 4.987 -9.344 1.00 0.00 C ATOM 392 CG ARG A 29 -5.591 4.366 -10.166 1.00 0.00 C ATOM 393 CD ARG A 29 -5.602 4.878 -11.598 1.00 0.00 C ATOM 394 NE ARG A 29 -4.297 4.741 -12.239 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.942 5.405 -13.333 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.790 6.250 -13.904 1.00 0.00 N ATOM 397 NH2 ARG A 29 -2.736 5.226 -13.857 1.00 0.00 N ATOM 0 H ARG A 29 -5.378 3.651 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.072 4.499 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.584 5.120 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.398 5.979 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.630 4.592 -9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.697 3.281 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.348 4.329 -12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.901 5.926 -11.606 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.621 4.100 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.717 6.391 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.515 6.759 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.081 4.578 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.464 5.736 -14.697 1.00 0.00 H new ATOM 411 N GLY A 30 -8.225 2.367 -9.309 1.00 0.00 N ATOM 412 CA GLY A 30 -8.427 0.995 -9.737 1.00 0.00 C ATOM 413 C GLY A 30 -8.961 0.114 -8.624 1.00 0.00 C ATOM 414 O GLY A 30 -9.465 0.610 -7.618 1.00 0.00 O ATOM 0 H GLY A 30 -8.906 3.034 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.123 0.978 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.483 0.587 -10.098 1.00 0.00 H new ATOM 418 N GLY A 31 -8.851 -1.199 -8.807 1.00 0.00 N ATOM 419 CA GLY A 31 -9.332 -2.130 -7.803 1.00 0.00 C ATOM 420 C GLY A 31 -10.298 -3.150 -8.374 1.00 0.00 C ATOM 421 O GLY A 31 -10.805 -2.981 -9.483 1.00 0.00 O ATOM 0 H GLY A 31 -8.438 -1.634 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.484 -2.648 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.824 -1.576 -7.004 1.00 0.00 H new ATOM 425 N ARG A 32 -10.551 -4.212 -7.616 1.00 0.00 N ATOM 426 CA ARG A 32 -11.459 -5.264 -8.055 1.00 0.00 C ATOM 427 C ARG A 32 -12.712 -4.670 -8.693 1.00 0.00 C ATOM 428 O ARG A 32 -13.267 -5.235 -9.635 1.00 0.00 O ATOM 429 CB ARG A 32 -11.849 -6.155 -6.874 1.00 0.00 C ATOM 430 CG ARG A 32 -10.881 -7.301 -6.630 1.00 0.00 C ATOM 431 CD ARG A 32 -10.983 -8.358 -7.719 1.00 0.00 C ATOM 432 NE ARG A 32 -12.217 -9.133 -7.616 1.00 0.00 N ATOM 433 CZ ARG A 32 -12.772 -9.769 -8.641 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.206 -9.723 -9.839 1.00 0.00 N ATOM 435 NH2 ARG A 32 -13.896 -10.453 -8.469 1.00 0.00 N ATOM 0 H ARG A 32 -10.140 -4.366 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.943 -5.867 -8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.910 -5.544 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.844 -6.563 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.862 -6.916 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.089 -7.754 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.937 -7.877 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.127 -9.029 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.677 -9.189 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.342 -9.198 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.634 -10.213 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.334 -10.491 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.322 -10.941 -9.257 1.00 0.00 H new ATOM 449 N GLU A 33 -13.150 -3.528 -8.173 1.00 0.00 N ATOM 450 CA GLU A 33 -14.337 -2.859 -8.692 1.00 0.00 C ATOM 451 C GLU A 33 -14.215 -2.620 -10.194 1.00 0.00 C ATOM 452 O GLU A 33 -15.177 -2.794 -10.942 1.00 0.00 O ATOM 453 CB GLU A 33 -14.558 -1.529 -7.969 1.00 0.00 C ATOM 454 CG GLU A 33 -15.869 -0.851 -8.328 1.00 0.00 C ATOM 455 CD GLU A 33 -17.060 -1.781 -8.204 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.360 -2.213 -7.072 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.692 -2.076 -9.240 1.00 0.00 O ATOM 0 H GLU A 33 -12.701 -3.047 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.195 -3.508 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.531 -1.701 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.734 -0.856 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.017 0.012 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.811 -0.475 -9.349 1.00 0.00 H new ATOM 464 N TYR A 34 -13.024 -2.221 -10.628 1.00 0.00 N ATOM 465 CA TYR A 34 -12.775 -1.955 -12.040 1.00 0.00 C ATOM 466 C TYR A 34 -11.936 -3.066 -12.664 1.00 0.00 C ATOM 467 O TYR A 34 -11.317 -2.879 -13.711 1.00 0.00 O ATOM 468 CB TYR A 34 -12.068 -0.609 -12.210 1.00 0.00 C ATOM 469 CG TYR A 34 -12.548 0.453 -11.246 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.689 1.199 -11.516 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.861 0.711 -10.067 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.131 2.170 -10.639 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.296 1.680 -9.184 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.431 2.407 -9.474 1.00 0.00 C ATOM 475 OH TYR A 34 -13.868 3.374 -8.597 1.00 0.00 O ATOM 0 H TYR A 34 -12.216 -2.075 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.737 -1.920 -12.552 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.996 -0.752 -12.076 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.217 -0.256 -13.230 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.239 1.016 -12.427 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.971 0.144 -9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.020 2.741 -10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.750 1.867 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.264 3.414 -7.826 1.00 0.00 H new ATOM 485 N LYS A 35 -11.920 -4.223 -12.012 1.00 0.00 N ATOM 486 CA LYS A 35 -11.159 -5.367 -12.501 1.00 0.00 C ATOM 487 C LYS A 35 -9.730 -4.961 -12.850 1.00 0.00 C ATOM 488 O LYS A 35 -9.239 -5.260 -13.938 1.00 0.00 O ATOM 489 CB LYS A 35 -11.842 -5.973 -13.728 1.00 0.00 C ATOM 490 CG LYS A 35 -13.216 -6.552 -13.436 1.00 0.00 C ATOM 491 CD LYS A 35 -13.118 -7.866 -12.679 1.00 0.00 C ATOM 492 CE LYS A 35 -14.348 -8.732 -12.904 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.264 -9.494 -14.180 1.00 0.00 N ATOM 0 H LYS A 35 -12.426 -4.394 -11.143 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.123 -6.113 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.936 -5.206 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.206 -6.758 -14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.796 -5.837 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.752 -6.709 -14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.228 -8.406 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.003 -7.666 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.459 -9.428 -12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.238 -8.103 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.121 -10.072 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.183 -8.830 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.429 -10.114 -14.160 1.00 0.00 H new ATOM 507 N MET A 36 -9.070 -4.279 -11.920 1.00 0.00 N ATOM 508 CA MET A 36 -7.697 -3.835 -12.130 1.00 0.00 C ATOM 509 C MET A 36 -6.975 -3.654 -10.798 1.00 0.00 C ATOM 510 O MET A 36 -7.608 -3.509 -9.752 1.00 0.00 O ATOM 511 CB MET A 36 -7.677 -2.524 -12.917 1.00 0.00 C ATOM 512 CG MET A 36 -8.428 -1.393 -12.233 1.00 0.00 C ATOM 513 SD MET A 36 -8.875 -0.068 -13.372 1.00 0.00 S ATOM 514 CE MET A 36 -7.834 1.260 -12.771 1.00 0.00 C ATOM 0 H MET A 36 -9.463 -4.022 -11.015 1.00 0.00 H new ATOM 0 HA MET A 36 -7.177 -4.602 -12.704 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.642 -2.220 -13.074 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.112 -2.694 -13.902 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.332 -1.790 -11.770 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.812 -0.986 -11.431 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.331 1.737 -13.612 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.447 1.996 -12.250 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.090 0.857 -12.084 1.00 0.00 H new ATOM 524 N ASP A 37 -5.647 -3.663 -10.844 1.00 0.00 N ATOM 525 CA ASP A 37 -4.839 -3.498 -9.641 1.00 0.00 C ATOM 526 C ASP A 37 -5.005 -2.096 -9.063 1.00 0.00 C ATOM 527 O ASP A 37 -5.616 -1.225 -9.684 1.00 0.00 O ATOM 528 CB ASP A 37 -3.365 -3.764 -9.950 1.00 0.00 C ATOM 529 CG ASP A 37 -3.177 -4.898 -10.940 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.844 -5.942 -10.781 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.364 -4.740 -11.874 1.00 0.00 O ATOM 0 H ASP A 37 -5.107 -3.783 -11.701 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.183 -4.220 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.911 -2.857 -10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.840 -4.002 -9.025 1.00 0.00 H new ATOM 536 N LEU A 38 -4.459 -1.885 -7.870 1.00 0.00 N ATOM 537 CA LEU A 38 -4.547 -0.589 -7.207 1.00 0.00 C ATOM 538 C LEU A 38 -3.296 0.243 -7.469 1.00 0.00 C ATOM 539 O LEU A 38 -2.191 -0.143 -7.087 1.00 0.00 O ATOM 540 CB LEU A 38 -4.743 -0.777 -5.701 1.00 0.00 C ATOM 541 CG LEU A 38 -6.042 -1.460 -5.273 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.818 -2.299 -4.025 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.134 -0.427 -5.035 1.00 0.00 C ATOM 0 H LEU A 38 -3.951 -2.595 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.406 -0.057 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.906 -1.359 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.696 0.202 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.364 -2.122 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.754 -2.777 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.068 -3.063 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.471 -1.659 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.052 -0.931 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.820 0.260 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.314 0.131 -5.954 1.00 0.00 H new ATOM 555 N TYR A 39 -3.478 1.386 -8.120 1.00 0.00 N ATOM 556 CA TYR A 39 -2.363 2.273 -8.433 1.00 0.00 C ATOM 557 C TYR A 39 -2.541 3.630 -7.759 1.00 0.00 C ATOM 558 O TYR A 39 -3.625 3.960 -7.276 1.00 0.00 O ATOM 559 CB TYR A 39 -2.239 2.456 -9.947 1.00 0.00 C ATOM 560 CG TYR A 39 -2.539 1.201 -10.735 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.849 0.815 -10.992 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.513 0.400 -11.221 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.128 -0.332 -11.711 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.782 -0.747 -11.942 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.091 -1.109 -12.184 1.00 0.00 C ATOM 566 OH TYR A 39 -3.364 -2.252 -12.901 1.00 0.00 O ATOM 0 H TYR A 39 -4.386 1.721 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.450 1.815 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.919 3.246 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.229 2.790 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.663 1.422 -10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.487 0.679 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.152 -0.618 -11.901 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.972 -1.357 -12.314 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.741 -2.961 -12.636 1.00 0.00 H new ATOM 576 N VAL A 40 -1.468 4.414 -7.729 1.00 0.00 N ATOM 577 CA VAL A 40 -1.503 5.736 -7.116 1.00 0.00 C ATOM 578 C VAL A 40 -2.101 6.767 -8.067 1.00 0.00 C ATOM 579 O VAL A 40 -1.500 7.109 -9.087 1.00 0.00 O ATOM 580 CB VAL A 40 -0.096 6.198 -6.695 1.00 0.00 C ATOM 581 CG1 VAL A 40 -0.141 7.613 -6.139 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.498 5.235 -5.677 1.00 0.00 C ATOM 0 H VAL A 40 -0.563 4.156 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.131 5.656 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 40 0.545 6.201 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.863 7.921 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.522 8.292 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.797 7.641 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.493 5.577 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.141 5.198 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.569 4.240 -6.116 1.00 0.00 H new ATOM 592 N LEU A 41 -3.287 7.260 -7.727 1.00 0.00 N ATOM 593 CA LEU A 41 -3.967 8.254 -8.551 1.00 0.00 C ATOM 594 C LEU A 41 -3.146 9.536 -8.646 1.00 0.00 C ATOM 595 O LEU A 41 -2.819 9.996 -9.740 1.00 0.00 O ATOM 596 CB LEU A 41 -5.350 8.561 -7.976 1.00 0.00 C ATOM 597 CG LEU A 41 -6.322 9.279 -8.913 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.815 10.674 -9.242 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.531 8.471 -10.185 1.00 0.00 C ATOM 0 H LEU A 41 -3.798 6.988 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.081 7.843 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.807 7.623 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.222 9.170 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.282 9.375 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.520 11.169 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.718 11.252 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.843 10.602 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.226 8.997 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.577 8.343 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.941 7.493 -9.932 1.00 0.00 H new ATOM 611 N ARG A 42 -2.815 10.107 -7.493 1.00 0.00 N ATOM 612 CA ARG A 42 -2.031 11.336 -7.446 1.00 0.00 C ATOM 613 C ARG A 42 -1.294 11.460 -6.115 1.00 0.00 C ATOM 614 O ARG A 42 -1.741 10.935 -5.095 1.00 0.00 O ATOM 615 CB ARG A 42 -2.936 12.551 -7.655 1.00 0.00 C ATOM 616 CG ARG A 42 -2.342 13.850 -7.134 1.00 0.00 C ATOM 617 CD ARG A 42 -2.724 14.094 -5.683 1.00 0.00 C ATOM 618 NE ARG A 42 -4.111 14.530 -5.547 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.562 15.236 -4.517 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.740 15.584 -3.537 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.838 15.595 -4.465 1.00 0.00 N ATOM 0 H ARG A 42 -3.077 9.739 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.294 11.298 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.146 12.658 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.890 12.373 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.256 13.817 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.688 14.682 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.574 13.179 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.063 14.849 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.770 14.278 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.758 15.309 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.089 16.126 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.474 15.329 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.183 16.137 -3.673 1.00 0.00 H new ATOM 635 N LEU A 43 -0.163 12.157 -6.135 1.00 0.00 N ATOM 636 CA LEU A 43 0.637 12.350 -4.930 1.00 0.00 C ATOM 637 C LEU A 43 0.579 13.802 -4.465 1.00 0.00 C ATOM 638 O LEU A 43 0.603 14.726 -5.278 1.00 0.00 O ATOM 639 CB LEU A 43 2.088 11.942 -5.187 1.00 0.00 C ATOM 640 CG LEU A 43 2.471 10.522 -4.768 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.971 10.313 -4.900 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.015 10.246 -3.343 1.00 0.00 C ATOM 0 H LEU A 43 0.221 12.597 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 43 0.223 11.719 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.292 12.052 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.739 12.642 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 43 1.968 9.819 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.225 9.297 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.270 10.468 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.495 11.024 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.296 9.231 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.490 10.955 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.932 10.354 -3.280 1.00 0.00 H new ATOM 654 N ALA A 44 0.506 13.995 -3.152 1.00 0.00 N ATOM 655 CA ALA A 44 0.449 15.334 -2.579 1.00 0.00 C ATOM 656 C ALA A 44 1.830 15.981 -2.560 1.00 0.00 C ATOM 657 O ALA A 44 2.755 15.471 -1.929 1.00 0.00 O ATOM 658 CB ALA A 44 -0.131 15.282 -1.174 1.00 0.00 C ATOM 0 H ALA A 44 0.485 13.241 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.201 15.944 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.168 16.289 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.139 14.868 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.497 14.652 -0.544 1.00 0.00 H new ATOM 664 N GLU A 45 1.961 17.107 -3.255 1.00 0.00 N ATOM 665 CA GLU A 45 3.230 17.822 -3.318 1.00 0.00 C ATOM 666 C GLU A 45 3.640 18.324 -1.937 1.00 0.00 C ATOM 667 O GLU A 45 4.820 18.560 -1.675 1.00 0.00 O ATOM 668 CB GLU A 45 3.130 18.998 -4.292 1.00 0.00 C ATOM 669 CG GLU A 45 2.141 20.066 -3.857 1.00 0.00 C ATOM 670 CD GLU A 45 2.407 21.408 -4.510 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.528 21.451 -5.752 1.00 0.00 O ATOM 672 OE2 GLU A 45 2.494 22.416 -3.778 1.00 0.00 O ATOM 0 H GLU A 45 1.204 17.543 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 45 3.992 17.129 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.115 19.451 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.838 18.623 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.130 19.741 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.186 20.178 -2.774 1.00 0.00 H new ATOM 679 N ASP A 46 2.658 18.487 -1.057 1.00 0.00 N ATOM 680 CA ASP A 46 2.915 18.961 0.298 1.00 0.00 C ATOM 681 C ASP A 46 2.541 17.898 1.326 1.00 0.00 C ATOM 682 O ASP A 46 2.231 18.212 2.474 1.00 0.00 O ATOM 683 CB ASP A 46 2.133 20.247 0.568 1.00 0.00 C ATOM 684 CG ASP A 46 2.740 21.069 1.688 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.980 21.047 1.836 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.975 21.736 2.416 1.00 0.00 O ATOM 0 H ASP A 46 1.676 18.298 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 46 3.981 19.168 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.100 20.846 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.103 19.996 0.822 1.00 0.00 H new ATOM 691 N GLY A 47 2.573 16.637 0.904 1.00 0.00 N ATOM 692 CA GLY A 47 2.233 15.547 1.800 1.00 0.00 C ATOM 693 C GLY A 47 3.450 14.755 2.235 1.00 0.00 C ATOM 694 O GLY A 47 4.553 14.936 1.719 1.00 0.00 O ATOM 0 H GLY A 47 2.828 16.351 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.730 15.947 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.527 14.880 1.305 1.00 0.00 H new ATOM 698 N PRO A 48 3.256 13.853 3.209 1.00 0.00 N ATOM 699 CA PRO A 48 4.336 13.012 3.736 1.00 0.00 C ATOM 700 C PRO A 48 4.803 11.969 2.728 1.00 0.00 C ATOM 701 O PRO A 48 5.958 11.545 2.749 1.00 0.00 O ATOM 702 CB PRO A 48 3.697 12.334 4.951 1.00 0.00 C ATOM 703 CG PRO A 48 2.236 12.330 4.657 1.00 0.00 C ATOM 704 CD PRO A 48 1.968 13.583 3.870 1.00 0.00 C ATOM 0 HA PRO A 48 5.226 13.594 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.077 11.321 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.915 12.880 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.955 11.444 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.653 12.315 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.167 13.439 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.668 14.407 4.517 1.00 0.00 H new ATOM 712 N ALA A 49 3.898 11.558 1.846 1.00 0.00 N ATOM 713 CA ALA A 49 4.219 10.565 0.828 1.00 0.00 C ATOM 714 C ALA A 49 5.281 11.088 -0.133 1.00 0.00 C ATOM 715 O ALA A 49 6.414 10.604 -0.144 1.00 0.00 O ATOM 716 CB ALA A 49 2.964 10.167 0.064 1.00 0.00 C ATOM 0 H ALA A 49 2.937 11.897 1.816 1.00 0.00 H new ATOM 0 HA ALA A 49 4.621 9.684 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.219 9.425 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.236 9.744 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.538 11.046 -0.419 1.00 0.00 H new ATOM 722 N ILE A 50 4.909 12.078 -0.938 1.00 0.00 N ATOM 723 CA ILE A 50 5.831 12.665 -1.902 1.00 0.00 C ATOM 724 C ILE A 50 7.199 12.912 -1.275 1.00 0.00 C ATOM 725 O ILE A 50 8.213 12.956 -1.971 1.00 0.00 O ATOM 726 CB ILE A 50 5.288 13.994 -2.462 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.842 14.245 -3.866 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.645 15.145 -1.533 1.00 0.00 C ATOM 729 CD1 ILE A 50 5.004 15.203 -4.683 1.00 0.00 C ATOM 0 H ILE A 50 3.976 12.490 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 50 5.932 11.950 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 50 4.202 13.928 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.854 14.640 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.913 13.295 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.255 16.077 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.208 14.969 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.729 15.215 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.456 15.334 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.998 14.800 -4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.954 16.166 -4.175 1.00 0.00 H new ATOM 741 N ARG A 51 7.219 13.070 0.044 1.00 0.00 N ATOM 742 CA ARG A 51 8.462 13.311 0.766 1.00 0.00 C ATOM 743 C ARG A 51 9.202 12.002 1.027 1.00 0.00 C ATOM 744 O ARG A 51 10.432 11.964 1.031 1.00 0.00 O ATOM 745 CB ARG A 51 8.179 14.021 2.091 1.00 0.00 C ATOM 746 CG ARG A 51 7.571 15.404 1.923 1.00 0.00 C ATOM 747 CD ARG A 51 6.993 15.922 3.231 1.00 0.00 C ATOM 748 NE ARG A 51 8.026 16.127 4.242 1.00 0.00 N ATOM 749 CZ ARG A 51 8.881 17.144 4.224 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.826 18.043 3.252 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.793 17.262 5.180 1.00 0.00 N ATOM 0 H ARG A 51 6.388 13.035 0.635 1.00 0.00 H new ATOM 0 HA ARG A 51 9.093 13.949 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.504 13.406 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.109 14.108 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.332 16.096 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.787 15.368 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.471 16.862 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.254 15.214 3.606 1.00 0.00 H new ATOM 0 HE ARG A 51 8.095 15.453 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.126 17.955 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.484 18.823 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.838 16.572 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.449 18.043 5.165 1.00 0.00 H new ATOM 765 N ASN A 52 8.444 10.933 1.243 1.00 0.00 N ATOM 766 CA ASN A 52 9.028 9.622 1.506 1.00 0.00 C ATOM 767 C ASN A 52 9.920 9.183 0.349 1.00 0.00 C ATOM 768 O ASN A 52 11.098 8.883 0.540 1.00 0.00 O ATOM 769 CB ASN A 52 7.925 8.587 1.736 1.00 0.00 C ATOM 770 CG ASN A 52 8.275 7.231 1.154 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.295 6.637 1.505 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.429 6.734 0.259 1.00 0.00 N ATOM 0 H ASN A 52 7.424 10.948 1.241 1.00 0.00 H new ATOM 0 HA ASN A 52 9.640 9.697 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.744 8.484 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.997 8.943 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.613 5.826 -0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.596 7.261 -0.002 1.00 0.00 H new ATOM 779 N GLY A 53 9.350 9.148 -0.851 1.00 0.00 N ATOM 780 CA GLY A 53 10.108 8.745 -2.021 1.00 0.00 C ATOM 781 C GLY A 53 9.929 7.276 -2.351 1.00 0.00 C ATOM 782 O GLY A 53 9.566 6.925 -3.474 1.00 0.00 O ATOM 0 H GLY A 53 8.377 9.392 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.798 9.346 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.165 8.950 -1.853 1.00 0.00 H new ATOM 786 N ARG A 54 10.184 6.416 -1.370 1.00 0.00 N ATOM 787 CA ARG A 54 10.052 4.977 -1.563 1.00 0.00 C ATOM 788 C ARG A 54 8.882 4.658 -2.489 1.00 0.00 C ATOM 789 O ARG A 54 8.908 3.669 -3.220 1.00 0.00 O ATOM 790 CB ARG A 54 9.857 4.277 -0.217 1.00 0.00 C ATOM 791 CG ARG A 54 11.114 4.236 0.636 1.00 0.00 C ATOM 792 CD ARG A 54 11.935 2.986 0.360 1.00 0.00 C ATOM 793 NE ARG A 54 12.981 2.786 1.359 1.00 0.00 N ATOM 794 CZ ARG A 54 14.156 3.404 1.326 1.00 0.00 C ATOM 795 NH1 ARG A 54 14.433 4.257 0.350 1.00 0.00 N ATOM 796 NH2 ARG A 54 15.057 3.170 2.272 1.00 0.00 N ATOM 0 H ARG A 54 10.483 6.691 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 54 10.969 4.612 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.069 4.787 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.515 3.257 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.719 5.121 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.840 4.267 1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.278 2.117 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.388 3.061 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 54 12.799 2.136 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.743 4.440 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.336 4.730 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.847 2.515 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.959 3.645 2.246 1.00 0.00 H new ATOM 810 N MET A 55 7.856 5.502 -2.450 1.00 0.00 N ATOM 811 CA MET A 55 6.677 5.310 -3.286 1.00 0.00 C ATOM 812 C MET A 55 6.350 6.580 -4.065 1.00 0.00 C ATOM 813 O MET A 55 6.456 7.687 -3.538 1.00 0.00 O ATOM 814 CB MET A 55 5.478 4.902 -2.427 1.00 0.00 C ATOM 815 CG MET A 55 4.706 6.082 -1.861 1.00 0.00 C ATOM 816 SD MET A 55 3.128 5.597 -1.136 1.00 0.00 S ATOM 817 CE MET A 55 1.984 6.488 -2.188 1.00 0.00 C ATOM 0 H MET A 55 7.817 6.325 -1.849 1.00 0.00 H new ATOM 0 HA MET A 55 6.893 4.514 -3.998 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.803 4.291 -3.027 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.827 4.278 -1.604 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.312 6.578 -1.103 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.529 6.809 -2.654 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.018 5.984 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.864 7.505 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.373 6.517 -3.206 1.00 0.00 H new ATOM 827 N ARG A 56 5.953 6.411 -5.322 1.00 0.00 N ATOM 828 CA ARG A 56 5.612 7.545 -6.174 1.00 0.00 C ATOM 829 C ARG A 56 4.266 7.326 -6.858 1.00 0.00 C ATOM 830 O ARG A 56 3.693 6.238 -6.790 1.00 0.00 O ATOM 831 CB ARG A 56 6.700 7.764 -7.226 1.00 0.00 C ATOM 832 CG ARG A 56 7.768 8.758 -6.800 1.00 0.00 C ATOM 833 CD ARG A 56 8.794 8.113 -5.881 1.00 0.00 C ATOM 834 NE ARG A 56 10.116 8.716 -6.028 1.00 0.00 N ATOM 835 CZ ARG A 56 10.452 9.889 -5.503 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.568 10.581 -4.799 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.676 10.370 -5.681 1.00 0.00 N ATOM 0 H ARG A 56 5.859 5.501 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 56 5.540 8.432 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.174 6.808 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.237 8.115 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.268 9.157 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.300 9.600 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.465 8.209 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.856 7.047 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 56 10.820 8.208 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.627 10.213 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.829 11.481 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.359 9.839 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.934 11.271 -5.278 1.00 0.00 H new ATOM 851 N VAL A 57 3.765 8.367 -7.516 1.00 0.00 N ATOM 852 CA VAL A 57 2.487 8.289 -8.212 1.00 0.00 C ATOM 853 C VAL A 57 2.653 7.676 -9.598 1.00 0.00 C ATOM 854 O VAL A 57 3.609 7.978 -10.311 1.00 0.00 O ATOM 855 CB VAL A 57 1.837 9.678 -8.351 1.00 0.00 C ATOM 856 CG1 VAL A 57 2.787 10.645 -9.042 1.00 0.00 C ATOM 857 CG2 VAL A 57 0.522 9.578 -9.108 1.00 0.00 C ATOM 0 H VAL A 57 4.226 9.275 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 57 1.838 7.652 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 57 1.627 10.063 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.311 11.621 -9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.701 10.739 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.031 10.268 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.077 10.569 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.705 9.172 -10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.160 8.921 -8.568 1.00 0.00 H new ATOM 867 N GLY A 58 1.713 6.814 -9.975 1.00 0.00 N ATOM 868 CA GLY A 58 1.773 6.172 -11.275 1.00 0.00 C ATOM 869 C GLY A 58 2.241 4.733 -11.190 1.00 0.00 C ATOM 870 O GLY A 58 2.184 3.996 -12.175 1.00 0.00 O ATOM 0 H GLY A 58 0.911 6.549 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.787 6.203 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.447 6.732 -11.923 1.00 0.00 H new ATOM 874 N ASP A 59 2.705 4.331 -10.012 1.00 0.00 N ATOM 875 CA ASP A 59 3.184 2.970 -9.803 1.00 0.00 C ATOM 876 C ASP A 59 2.017 2.001 -9.642 1.00 0.00 C ATOM 877 O ASP A 59 0.857 2.383 -9.792 1.00 0.00 O ATOM 878 CB ASP A 59 4.087 2.909 -8.570 1.00 0.00 C ATOM 879 CG ASP A 59 5.479 3.442 -8.845 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.147 2.915 -9.759 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.902 4.387 -8.145 1.00 0.00 O ATOM 0 H ASP A 59 2.760 4.929 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 59 3.759 2.675 -10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.634 3.484 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.158 1.877 -8.226 1.00 0.00 H new ATOM 886 N GLN A 60 2.334 0.747 -9.338 1.00 0.00 N ATOM 887 CA GLN A 60 1.311 -0.277 -9.160 1.00 0.00 C ATOM 888 C GLN A 60 1.421 -0.923 -7.783 1.00 0.00 C ATOM 889 O GLN A 60 2.414 -1.583 -7.474 1.00 0.00 O ATOM 890 CB GLN A 60 1.432 -1.345 -10.248 1.00 0.00 C ATOM 891 CG GLN A 60 0.316 -2.376 -10.216 1.00 0.00 C ATOM 892 CD GLN A 60 0.533 -3.439 -9.157 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.597 -4.055 -9.089 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.476 -3.660 -8.324 1.00 0.00 N ATOM 0 H GLN A 60 3.290 0.415 -9.210 1.00 0.00 H new ATOM 0 HA GLN A 60 0.336 0.203 -9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.438 -0.859 -11.224 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.389 -1.855 -10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.633 -1.873 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.239 -2.853 -11.193 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.340 -3.126 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.387 -4.364 -7.591 1.00 0.00 H new ATOM 903 N ILE A 61 0.396 -0.728 -6.959 1.00 0.00 N ATOM 904 CA ILE A 61 0.379 -1.292 -5.615 1.00 0.00 C ATOM 905 C ILE A 61 -0.117 -2.734 -5.631 1.00 0.00 C ATOM 906 O ILE A 61 -1.225 -3.014 -6.090 1.00 0.00 O ATOM 907 CB ILE A 61 -0.511 -0.464 -4.669 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.109 1.011 -4.716 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.415 -1.000 -3.248 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.209 1.951 -4.273 1.00 0.00 C ATOM 0 H ILE A 61 -0.433 -0.184 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 61 1.405 -1.268 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.546 -0.549 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.764 1.162 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.188 1.266 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.049 -0.405 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.745 -2.039 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.618 -0.941 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.854 2.980 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.076 1.829 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.491 1.723 -3.245 1.00 0.00 H new ATOM 922 N ILE A 62 0.708 -3.643 -5.125 1.00 0.00 N ATOM 923 CA ILE A 62 0.352 -5.056 -5.078 1.00 0.00 C ATOM 924 C ILE A 62 -0.171 -5.445 -3.699 1.00 0.00 C ATOM 925 O ILE A 62 -1.022 -6.325 -3.574 1.00 0.00 O ATOM 926 CB ILE A 62 1.554 -5.952 -5.431 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.866 -5.237 -5.098 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.513 -6.338 -6.902 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.238 -4.162 -6.095 1.00 0.00 C ATOM 0 H ILE A 62 1.628 -3.427 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.433 -5.209 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 62 1.497 -6.863 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.785 -4.790 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.669 -5.972 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.369 -6.971 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.592 -6.882 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.549 -5.438 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.178 -3.698 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.351 -4.606 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.453 -3.406 -6.125 1.00 0.00 H new ATOM 941 N GLU A 63 0.344 -4.783 -2.668 1.00 0.00 N ATOM 942 CA GLU A 63 -0.072 -5.059 -1.299 1.00 0.00 C ATOM 943 C GLU A 63 -0.397 -3.766 -0.557 1.00 0.00 C ATOM 944 O GLU A 63 0.169 -2.712 -0.848 1.00 0.00 O ATOM 945 CB GLU A 63 1.024 -5.825 -0.554 1.00 0.00 C ATOM 946 CG GLU A 63 0.677 -6.130 0.894 1.00 0.00 C ATOM 947 CD GLU A 63 1.870 -6.626 1.687 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.094 -7.854 1.715 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.580 -5.787 2.280 1.00 0.00 O ATOM 0 H GLU A 63 1.050 -4.052 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.973 -5.672 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.221 -6.761 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.946 -5.244 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.280 -5.231 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.112 -6.881 0.924 1.00 0.00 H new ATOM 956 N ILE A 64 -1.314 -3.855 0.401 1.00 0.00 N ATOM 957 CA ILE A 64 -1.714 -2.693 1.185 1.00 0.00 C ATOM 958 C ILE A 64 -1.889 -3.056 2.656 1.00 0.00 C ATOM 959 O ILE A 64 -2.772 -3.834 3.013 1.00 0.00 O ATOM 960 CB ILE A 64 -3.027 -2.085 0.658 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.853 -1.613 -0.787 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.472 -0.933 1.548 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.071 -0.911 -1.344 1.00 0.00 C ATOM 0 H ILE A 64 -1.794 -4.719 0.653 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.917 -1.956 1.088 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.800 -2.854 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.999 -0.938 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.620 -2.472 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.401 -0.514 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.632 -1.298 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.702 -0.162 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.876 -0.604 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.923 -1.590 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.293 -0.032 -0.739 1.00 0.00 H new ATOM 975 N ASN A 65 -1.041 -2.484 3.505 1.00 0.00 N ATOM 976 CA ASN A 65 -1.103 -2.746 4.938 1.00 0.00 C ATOM 977 C ASN A 65 -1.031 -4.243 5.221 1.00 0.00 C ATOM 978 O ASN A 65 -1.711 -4.751 6.112 1.00 0.00 O ATOM 979 CB ASN A 65 -2.389 -2.165 5.529 1.00 0.00 C ATOM 980 CG ASN A 65 -2.213 -0.735 6.005 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.110 -0.319 6.360 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.302 0.024 6.012 1.00 0.00 N ATOM 0 H ASN A 65 -0.304 -1.837 3.226 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.245 -2.264 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.179 -2.201 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.714 -2.785 6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.245 0.995 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.196 -0.363 5.709 1.00 0.00 H new ATOM 989 N GLY A 66 -0.200 -4.945 4.457 1.00 0.00 N ATOM 990 CA GLY A 66 -0.053 -6.377 4.641 1.00 0.00 C ATOM 991 C GLY A 66 -1.317 -7.139 4.293 1.00 0.00 C ATOM 992 O GLY A 66 -1.684 -8.091 4.981 1.00 0.00 O ATOM 0 H GLY A 66 0.374 -4.547 3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.767 -6.738 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.217 -6.581 5.677 1.00 0.00 H new ATOM 996 N GLU A 67 -1.984 -6.718 3.223 1.00 0.00 N ATOM 997 CA GLU A 67 -3.215 -7.366 2.787 1.00 0.00 C ATOM 998 C GLU A 67 -3.224 -7.556 1.273 1.00 0.00 C ATOM 999 O GLU A 67 -3.236 -6.585 0.516 1.00 0.00 O ATOM 1000 CB GLU A 67 -4.431 -6.543 3.217 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.569 -6.401 4.723 1.00 0.00 C ATOM 1002 CD GLU A 67 -6.004 -6.176 5.159 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -6.918 -6.685 4.475 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -6.214 -5.492 6.182 1.00 0.00 O ATOM 0 H GLU A 67 -1.693 -5.932 2.643 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.265 -8.347 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.363 -5.550 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.333 -7.009 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.183 -7.299 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.955 -5.567 5.063 1.00 0.00 H new ATOM 1011 N SER A 68 -3.217 -8.812 0.840 1.00 0.00 N ATOM 1012 CA SER A 68 -3.220 -9.130 -0.584 1.00 0.00 C ATOM 1013 C SER A 68 -4.297 -8.335 -1.316 1.00 0.00 C ATOM 1014 O SER A 68 -5.492 -8.541 -1.102 1.00 0.00 O ATOM 1015 CB SER A 68 -3.446 -10.628 -0.793 1.00 0.00 C ATOM 1016 OG SER A 68 -3.224 -10.994 -2.144 1.00 0.00 O ATOM 0 H SER A 68 -3.209 -9.626 1.454 1.00 0.00 H new ATOM 0 HA SER A 68 -2.248 -8.856 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.777 -11.194 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.464 -10.889 -0.505 1.00 0.00 H new ATOM 0 HG SER A 68 -3.373 -11.957 -2.251 1.00 0.00 H new ATOM 1022 N THR A 69 -3.865 -7.423 -2.181 1.00 0.00 N ATOM 1023 CA THR A 69 -4.790 -6.595 -2.944 1.00 0.00 C ATOM 1024 C THR A 69 -5.240 -7.303 -4.217 1.00 0.00 C ATOM 1025 O THR A 69 -5.239 -6.716 -5.299 1.00 0.00 O ATOM 1026 CB THR A 69 -4.155 -5.243 -3.320 1.00 0.00 C ATOM 1027 OG1 THR A 69 -3.170 -5.431 -4.342 1.00 0.00 O ATOM 1028 CG2 THR A 69 -3.513 -4.590 -2.105 1.00 0.00 C ATOM 0 H THR A 69 -2.880 -7.239 -2.371 1.00 0.00 H new ATOM 0 HA THR A 69 -5.655 -6.417 -2.305 1.00 0.00 H new ATOM 0 HB THR A 69 -4.943 -4.588 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.508 -6.088 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.071 -3.637 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.271 -4.421 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.736 -5.244 -1.708 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.625 -8.568 -4.080 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.077 -9.356 -5.220 1.00 0.00 C ATOM 1038 C ARG A 70 -7.601 -9.374 -5.298 1.00 0.00 C ATOM 1039 O ARG A 70 -8.177 -9.333 -6.386 1.00 0.00 O ATOM 1040 CB ARG A 70 -5.544 -10.787 -5.121 1.00 0.00 C ATOM 1041 CG ARG A 70 -5.655 -11.569 -6.420 1.00 0.00 C ATOM 1042 CD ARG A 70 -4.705 -11.030 -7.478 1.00 0.00 C ATOM 1043 NE ARG A 70 -4.852 -11.729 -8.752 1.00 0.00 N ATOM 1044 CZ ARG A 70 -4.489 -11.211 -9.920 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -3.961 -9.996 -9.975 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -4.654 -11.909 -11.037 1.00 0.00 N ATOM 0 H ARG A 70 -5.633 -9.069 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.689 -8.893 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.499 -10.756 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.090 -11.316 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.435 -12.620 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.679 -11.519 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.891 -9.966 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.678 -11.128 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.255 -12.666 -8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.833 -9.456 -9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.683 -9.601 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.060 -12.844 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.375 -11.510 -11.933 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.247 -9.437 -4.139 1.00 0.00 N ATOM 1061 CA ASP A 71 -9.703 -9.460 -4.076 1.00 0.00 C ATOM 1062 C ASP A 71 -10.230 -8.290 -3.250 1.00 0.00 C ATOM 1063 O ASP A 71 -11.107 -8.460 -2.404 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.188 -10.781 -3.479 1.00 0.00 C ATOM 1065 CG ASP A 71 -11.565 -11.172 -3.979 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -12.448 -10.290 -4.035 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -11.761 -12.359 -4.313 1.00 0.00 O ATOM 0 H ASP A 71 -7.785 -9.473 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.087 -9.367 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.478 -11.570 -3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.209 -10.699 -2.392 1.00 0.00 H new ATOM 1072 N MET A 72 -9.687 -7.103 -3.502 1.00 0.00 N ATOM 1073 CA MET A 72 -10.103 -5.905 -2.781 1.00 0.00 C ATOM 1074 C MET A 72 -10.592 -4.832 -3.748 1.00 0.00 C ATOM 1075 O MET A 72 -10.145 -4.761 -4.893 1.00 0.00 O ATOM 1076 CB MET A 72 -8.945 -5.362 -1.941 1.00 0.00 C ATOM 1077 CG MET A 72 -8.264 -6.421 -1.089 1.00 0.00 C ATOM 1078 SD MET A 72 -7.551 -5.743 0.423 1.00 0.00 S ATOM 1079 CE MET A 72 -6.824 -4.228 -0.196 1.00 0.00 C ATOM 0 H MET A 72 -8.959 -6.945 -4.199 1.00 0.00 H new ATOM 0 HA MET A 72 -10.926 -6.176 -2.120 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.207 -4.910 -2.604 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.318 -4.570 -1.292 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.988 -7.194 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.479 -6.902 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.928 -3.993 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.559 -4.354 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.542 -3.414 -0.099 1.00 0.00 H new ATOM 1089 N THR A 73 -11.515 -3.997 -3.280 1.00 0.00 N ATOM 1090 CA THR A 73 -12.066 -2.928 -4.103 1.00 0.00 C ATOM 1091 C THR A 73 -11.515 -1.570 -3.684 1.00 0.00 C ATOM 1092 O THR A 73 -11.228 -1.342 -2.508 1.00 0.00 O ATOM 1093 CB THR A 73 -13.604 -2.892 -4.022 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.021 -2.861 -2.652 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.211 -4.102 -4.715 1.00 0.00 C ATOM 0 H THR A 73 -11.896 -4.041 -2.335 1.00 0.00 H new ATOM 0 HA THR A 73 -11.768 -3.136 -5.131 1.00 0.00 H new ATOM 0 HB THR A 73 -13.952 -1.992 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.000 -2.836 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.298 -4.054 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.915 -4.107 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.856 -5.013 -4.234 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.368 -0.671 -4.652 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.851 0.666 -4.382 1.00 0.00 C ATOM 1105 C HIS A 74 -11.321 1.164 -3.018 1.00 0.00 C ATOM 1106 O HIS A 74 -10.552 1.764 -2.267 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.297 1.638 -5.474 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.465 2.881 -5.545 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.757 3.935 -6.385 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.345 3.237 -4.874 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.851 4.884 -6.228 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.983 4.485 -5.316 1.00 0.00 N ATOM 0 H HIS A 74 -11.600 -0.844 -5.630 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.762 0.614 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.260 1.130 -6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.336 1.916 -5.299 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.831 2.648 -4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.825 5.826 -6.756 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.175 5.017 -4.993 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.588 0.913 -2.706 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.159 1.335 -1.433 1.00 0.00 C ATOM 1123 C ALA A 75 -12.377 0.753 -0.260 1.00 0.00 C ATOM 1124 O ALA A 75 -11.996 1.472 0.663 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.622 0.927 -1.349 1.00 0.00 C ATOM 0 H ALA A 75 -13.239 0.420 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.093 2.422 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.035 1.249 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.178 1.396 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.703 -0.157 -1.433 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.143 -0.555 -0.303 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.409 -1.235 0.757 1.00 0.00 C ATOM 1133 C ARG A 76 -10.051 -0.577 0.986 1.00 0.00 C ATOM 1134 O ARG A 76 -9.782 -0.045 2.062 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.219 -2.712 0.410 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.226 -3.428 1.310 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.622 -3.319 2.774 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.182 -4.477 3.548 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.753 -4.862 4.684 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.781 -4.185 5.176 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.295 -5.927 5.330 1.00 0.00 N ATOM 0 H ARG A 76 -12.451 -1.164 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.992 -1.157 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.183 -3.218 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.883 -2.793 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.167 -4.478 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.232 -3.003 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.190 -2.413 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.705 -3.222 2.850 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.393 -5.020 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.136 -3.366 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.217 -4.483 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.504 -6.450 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.734 -6.222 6.202 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.200 -0.618 -0.034 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.871 -0.025 0.055 1.00 0.00 C ATOM 1157 C ALA A 77 -7.927 1.348 0.715 1.00 0.00 C ATOM 1158 O ALA A 77 -7.034 1.716 1.480 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.244 0.075 -1.327 1.00 0.00 C ATOM 0 H ALA A 77 -9.407 -1.056 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.251 -0.672 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.252 0.520 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.161 -0.921 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.869 0.698 -1.966 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.978 2.103 0.413 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.148 3.436 0.977 1.00 0.00 C ATOM 1167 C ILE A 78 -9.373 3.370 2.484 1.00 0.00 C ATOM 1168 O ILE A 78 -8.949 4.258 3.223 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.331 4.176 0.325 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -10.037 4.450 -1.152 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.615 5.475 1.064 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.169 5.668 -1.379 1.00 0.00 C ATOM 0 H ILE A 78 -9.725 1.814 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.229 3.985 0.772 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.216 3.544 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.546 3.578 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.980 4.581 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.454 5.987 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.862 5.256 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.733 6.114 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.002 5.801 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.667 6.550 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.212 5.531 -0.876 1.00 0.00 H new ATOM 1184 N GLU A 79 -10.042 2.312 2.932 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.322 2.131 4.351 1.00 0.00 C ATOM 1186 C GLU A 79 -9.118 1.530 5.071 1.00 0.00 C ATOM 1187 O GLU A 79 -8.935 1.730 6.272 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.545 1.231 4.542 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.195 -0.224 4.805 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.415 -1.070 5.116 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.422 -0.947 4.387 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.362 -1.853 6.086 1.00 0.00 O ATOM 0 H GLU A 79 -10.400 1.568 2.333 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.530 3.111 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.138 1.610 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.172 1.290 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.685 -0.635 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.496 -0.281 5.639 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.300 0.793 4.328 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.113 0.162 4.894 1.00 0.00 C ATOM 1201 C LEU A 80 -6.086 1.209 5.312 1.00 0.00 C ATOM 1202 O LEU A 80 -5.477 1.105 6.377 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.492 -0.802 3.881 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.322 -2.039 3.536 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.626 -2.868 2.467 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.575 -2.877 4.782 1.00 0.00 C ATOM 0 H LEU A 80 -8.437 0.618 3.333 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.416 -0.396 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.295 -0.253 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.528 -1.132 4.268 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.284 -1.709 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.231 -3.744 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.497 -2.267 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.650 -3.188 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.167 -3.753 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.623 -3.197 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.117 -2.282 5.517 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.900 2.218 4.467 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.949 3.286 4.751 1.00 0.00 C ATOM 1220 C ILE A 81 -5.307 4.012 6.043 1.00 0.00 C ATOM 1221 O ILE A 81 -4.434 4.522 6.745 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.890 4.307 3.600 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.666 3.593 2.265 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.789 5.327 3.852 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.115 4.398 1.066 1.00 0.00 C ATOM 0 H ILE A 81 -6.395 2.318 3.581 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.971 2.817 4.860 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.843 4.834 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.606 3.360 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.201 2.643 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.760 6.042 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.988 5.855 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.829 4.816 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.926 3.830 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.181 4.608 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.562 5.336 1.030 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.599 4.054 6.352 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.075 4.715 7.562 1.00 0.00 C ATOM 1239 C LYS A 82 -7.303 3.704 8.680 1.00 0.00 C ATOM 1240 O LYS A 82 -7.381 4.069 9.853 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.372 5.476 7.275 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.326 4.728 6.359 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.602 5.517 6.120 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.322 6.824 5.395 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.561 7.414 4.817 1.00 0.00 N ATOM 0 H LYS A 82 -7.335 3.638 5.781 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.310 5.421 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.877 5.686 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.127 6.437 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.836 4.529 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.572 3.761 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.298 4.917 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.086 5.725 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.871 7.534 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.597 6.650 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.328 8.304 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.978 6.747 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.243 7.604 5.579 1.00 0.00 H new ATOM 1259 N SER A 83 -7.407 2.432 8.310 1.00 0.00 N ATOM 1260 CA SER A 83 -7.628 1.368 9.282 1.00 0.00 C ATOM 1261 C SER A 83 -6.362 1.098 10.090 1.00 0.00 C ATOM 1262 O SER A 83 -6.425 0.799 11.282 1.00 0.00 O ATOM 1263 CB SER A 83 -8.079 0.088 8.576 1.00 0.00 C ATOM 1264 OG SER A 83 -8.465 -0.903 9.513 1.00 0.00 O ATOM 0 H SER A 83 -7.342 2.113 7.343 1.00 0.00 H new ATOM 0 HA SER A 83 -8.412 1.692 9.966 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.915 0.310 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.269 -0.292 7.953 1.00 0.00 H new ATOM 0 HG SER A 83 -8.750 -1.710 9.036 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.213 1.207 9.431 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.948 0.972 10.102 1.00 0.00 C ATOM 1272 C GLY A 84 -3.636 2.032 11.139 1.00 0.00 C ATOM 1273 O GLY A 84 -3.162 1.722 12.231 1.00 0.00 O ATOM 0 H GLY A 84 -5.135 1.454 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.971 -0.006 10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.148 0.945 9.363 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.901 3.289 10.797 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.637 4.380 11.717 1.00 0.00 C ATOM 1279 C GLY A 85 -2.878 5.519 11.064 1.00 0.00 C ATOM 1280 O GLY A 85 -3.209 5.939 9.956 1.00 0.00 O ATOM 0 H GLY A 85 -4.294 3.571 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.581 4.756 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.064 4.005 12.565 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.859 6.020 11.754 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.053 7.119 11.236 1.00 0.00 C ATOM 1286 C ARG A 86 0.101 6.594 10.387 1.00 0.00 C ATOM 1287 O ARG A 86 0.690 7.332 9.598 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.509 7.967 12.387 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.382 9.164 12.727 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.110 9.670 14.135 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.638 11.016 14.345 1.00 0.00 N ATOM 1292 CZ ARG A 86 -0.979 12.123 14.020 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.227 12.044 13.474 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.526 13.311 14.242 1.00 0.00 N ATOM 0 H ARG A 86 -1.572 5.683 12.673 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.691 7.739 10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.406 7.340 13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.490 8.318 12.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.199 9.964 12.010 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.432 8.887 12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.558 8.988 14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.036 9.669 14.319 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.563 11.111 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.651 11.132 13.303 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.731 12.895 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.453 13.375 14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.019 14.160 13.992 1.00 0.00 H new ATOM 1308 N ARG A 87 0.418 5.315 10.556 1.00 0.00 N ATOM 1309 CA ARG A 87 1.503 4.691 9.807 1.00 0.00 C ATOM 1310 C ARG A 87 0.964 3.629 8.853 1.00 0.00 C ATOM 1311 O ARG A 87 0.289 2.689 9.271 1.00 0.00 O ATOM 1312 CB ARG A 87 2.518 4.064 10.765 1.00 0.00 C ATOM 1313 CG ARG A 87 3.069 5.039 11.792 1.00 0.00 C ATOM 1314 CD ARG A 87 3.921 4.329 12.833 1.00 0.00 C ATOM 1315 NE ARG A 87 4.783 5.257 13.560 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.718 4.871 14.421 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.910 3.581 14.662 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.462 5.775 15.044 1.00 0.00 N ATOM 0 H ARG A 87 -0.061 4.690 11.205 1.00 0.00 H new ATOM 0 HA ARG A 87 1.998 5.465 9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.047 3.230 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.345 3.653 10.186 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.666 5.800 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.245 5.554 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.273 3.808 13.538 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.534 3.572 12.344 1.00 0.00 H new ATOM 0 HE ARG A 87 4.660 6.257 13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.339 2.883 14.186 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.629 3.287 15.324 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.317 6.768 14.862 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.180 5.477 15.705 1.00 0.00 H new ATOM 1332 N VAL A 88 1.267 3.787 7.568 1.00 0.00 N ATOM 1333 CA VAL A 88 0.814 2.842 6.554 1.00 0.00 C ATOM 1334 C VAL A 88 1.995 2.198 5.838 1.00 0.00 C ATOM 1335 O VAL A 88 3.052 2.810 5.686 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.092 3.527 5.514 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.695 4.552 4.712 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.725 2.492 4.596 1.00 0.00 C ATOM 0 H VAL A 88 1.824 4.560 7.205 1.00 0.00 H new ATOM 0 HA VAL A 88 0.242 2.071 7.071 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.890 4.049 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.038 5.025 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.096 5.310 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.516 4.056 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.362 2.993 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.058 1.940 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.325 1.800 5.187 1.00 0.00 H new ATOM 1348 N ARG A 89 1.808 0.957 5.398 1.00 0.00 N ATOM 1349 CA ARG A 89 2.858 0.228 4.697 1.00 0.00 C ATOM 1350 C ARG A 89 2.276 -0.602 3.557 1.00 0.00 C ATOM 1351 O ARG A 89 1.518 -1.545 3.787 1.00 0.00 O ATOM 1352 CB ARG A 89 3.614 -0.679 5.669 1.00 0.00 C ATOM 1353 CG ARG A 89 4.517 -1.690 4.982 1.00 0.00 C ATOM 1354 CD ARG A 89 4.842 -2.860 5.897 1.00 0.00 C ATOM 1355 NE ARG A 89 5.897 -3.708 5.348 1.00 0.00 N ATOM 1356 CZ ARG A 89 7.192 -3.436 5.464 1.00 0.00 C ATOM 1357 NH1 ARG A 89 7.590 -2.346 6.106 1.00 0.00 N ATOM 1358 NH2 ARG A 89 8.093 -4.256 4.938 1.00 0.00 N ATOM 0 H ARG A 89 0.939 0.436 5.515 1.00 0.00 H new ATOM 0 HA ARG A 89 3.552 0.956 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.216 -0.061 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.894 -1.211 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.031 -2.058 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.441 -1.202 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.151 -2.483 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.944 -3.456 6.056 1.00 0.00 H new ATOM 0 HE ARG A 89 5.625 -4.555 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.901 -1.713 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.585 -2.140 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.791 -5.096 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.087 -4.046 5.028 1.00 0.00 H new ATOM 1372 N LEU A 90 2.635 -0.245 2.329 1.00 0.00 N ATOM 1373 CA LEU A 90 2.148 -0.957 1.153 1.00 0.00 C ATOM 1374 C LEU A 90 3.303 -1.348 0.236 1.00 0.00 C ATOM 1375 O LEU A 90 4.315 -0.649 0.162 1.00 0.00 O ATOM 1376 CB LEU A 90 1.144 -0.093 0.388 1.00 0.00 C ATOM 1377 CG LEU A 90 1.346 1.420 0.491 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.996 2.096 -0.825 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.510 1.993 1.626 1.00 0.00 C ATOM 0 H LEU A 90 3.261 0.533 2.122 1.00 0.00 H new ATOM 0 HA LEU A 90 1.652 -1.867 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.181 -0.374 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.143 -0.331 0.746 1.00 0.00 H new ATOM 0 HG LEU A 90 2.397 1.613 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.146 3.172 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.637 1.707 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.047 1.895 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.666 3.070 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.544 1.789 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.809 1.531 2.567 1.00 0.00 H new ATOM 1391 N LEU A 91 3.144 -2.466 -0.463 1.00 0.00 N ATOM 1392 CA LEU A 91 4.173 -2.949 -1.378 1.00 0.00 C ATOM 1393 C LEU A 91 3.997 -2.340 -2.766 1.00 0.00 C ATOM 1394 O LEU A 91 3.005 -2.601 -3.449 1.00 0.00 O ATOM 1395 CB LEU A 91 4.126 -4.475 -1.469 1.00 0.00 C ATOM 1396 CG LEU A 91 5.411 -5.159 -1.938 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.244 -6.670 -1.934 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.802 -4.668 -3.325 1.00 0.00 C ATOM 0 H LEU A 91 2.313 -3.055 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 91 5.144 -2.644 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.866 -4.870 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.321 -4.754 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 91 6.211 -4.900 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.168 -7.139 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.013 -7.008 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.431 -6.948 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.718 -5.166 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.003 -4.896 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.965 -3.591 -3.297 1.00 0.00 H new ATOM 1410 N LEU A 92 4.965 -1.529 -3.177 1.00 0.00 N ATOM 1411 CA LEU A 92 4.919 -0.884 -4.485 1.00 0.00 C ATOM 1412 C LEU A 92 6.162 -1.221 -5.302 1.00 0.00 C ATOM 1413 O LEU A 92 7.205 -1.570 -4.750 1.00 0.00 O ATOM 1414 CB LEU A 92 4.796 0.632 -4.324 1.00 0.00 C ATOM 1415 CG LEU A 92 4.247 1.393 -5.531 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.732 1.280 -5.590 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.673 2.853 -5.479 1.00 0.00 C ATOM 0 H LEU A 92 5.791 -1.302 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 92 4.044 -1.259 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.152 0.835 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.781 1.033 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 92 4.659 0.946 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.360 1.828 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.448 0.231 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.300 1.700 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.274 3.380 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.290 3.312 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.761 2.915 -5.487 1.00 0.00 H new ATOM 1429 N LYS A 93 6.044 -1.111 -6.621 1.00 0.00 N ATOM 1430 CA LYS A 93 7.158 -1.400 -7.516 1.00 0.00 C ATOM 1431 C LYS A 93 7.370 -0.260 -8.507 1.00 0.00 C ATOM 1432 O LYS A 93 6.431 0.180 -9.171 1.00 0.00 O ATOM 1433 CB LYS A 93 6.907 -2.706 -8.272 1.00 0.00 C ATOM 1434 CG LYS A 93 5.653 -2.682 -9.129 1.00 0.00 C ATOM 1435 CD LYS A 93 5.092 -4.079 -9.337 1.00 0.00 C ATOM 1436 CE LYS A 93 5.639 -4.715 -10.605 1.00 0.00 C ATOM 1437 NZ LYS A 93 5.137 -4.032 -11.830 1.00 0.00 N ATOM 0 H LYS A 93 5.187 -0.824 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 93 8.059 -1.505 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.767 -2.919 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.831 -3.523 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.899 -2.053 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.881 -2.233 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.340 -4.704 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.004 -4.031 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.728 -4.678 -10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.356 -5.767 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.984 -4.735 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.239 -3.552 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.837 -3.332 -12.149 1.00 0.00 H new ATOM 1451 N ARG A 94 8.608 0.214 -8.602 1.00 0.00 N ATOM 1452 CA ARG A 94 8.942 1.302 -9.513 1.00 0.00 C ATOM 1453 C ARG A 94 9.645 0.772 -10.759 1.00 0.00 C ATOM 1454 O ARG A 94 10.471 -0.136 -10.680 1.00 0.00 O ATOM 1455 CB ARG A 94 9.833 2.328 -8.810 1.00 0.00 C ATOM 1456 CG ARG A 94 9.677 3.741 -9.349 1.00 0.00 C ATOM 1457 CD ARG A 94 10.640 4.009 -10.495 1.00 0.00 C ATOM 1458 NE ARG A 94 10.884 5.436 -10.683 1.00 0.00 N ATOM 1459 CZ ARG A 94 10.058 6.243 -11.338 1.00 0.00 C ATOM 1460 NH1 ARG A 94 8.939 5.765 -11.866 1.00 0.00 N ATOM 1461 NH2 ARG A 94 10.349 7.531 -11.467 1.00 0.00 N ATOM 0 H ARG A 94 9.396 -0.138 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 94 8.014 1.785 -9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.603 2.327 -7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.874 2.022 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.653 3.890 -9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.854 4.459 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.585 3.502 -10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.235 3.586 -11.415 1.00 0.00 H new ATOM 0 HE ARG A 94 11.736 5.835 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.712 4.775 -11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.306 6.387 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.209 7.903 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.713 8.150 -11.971 1.00 0.00 H new ATOM 1475 N GLY A 95 9.309 1.346 -11.911 1.00 0.00 N ATOM 1476 CA GLY A 95 9.916 0.918 -13.158 1.00 0.00 C ATOM 1477 C GLY A 95 11.203 1.659 -13.460 1.00 0.00 C ATOM 1478 O GLY A 95 11.266 2.453 -14.399 1.00 0.00 O ATOM 0 H GLY A 95 8.628 2.099 -12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.119 -0.152 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.211 1.074 -13.974 1.00 0.00 H new ATOM 1482 N THR A 96 12.234 1.401 -12.662 1.00 0.00 N ATOM 1483 CA THR A 96 13.525 2.051 -12.847 1.00 0.00 C ATOM 1484 C THR A 96 14.598 1.042 -13.239 1.00 0.00 C ATOM 1485 O THR A 96 15.445 1.319 -14.088 1.00 0.00 O ATOM 1486 CB THR A 96 13.972 2.787 -11.569 1.00 0.00 C ATOM 1487 OG1 THR A 96 15.265 3.370 -11.766 1.00 0.00 O ATOM 1488 CG2 THR A 96 14.015 1.835 -10.383 1.00 0.00 C ATOM 0 H THR A 96 12.200 0.746 -11.881 1.00 0.00 H new ATOM 0 HA THR A 96 13.401 2.776 -13.651 1.00 0.00 H new ATOM 0 HB THR A 96 13.248 3.574 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.541 3.837 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.333 2.377 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.023 1.415 -10.217 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.720 1.029 -10.588 1.00 0.00 H new ATOM 1496 N GLY A 97 14.556 -0.132 -12.617 1.00 0.00 N ATOM 1497 CA GLY A 97 15.530 -1.166 -12.915 1.00 0.00 C ATOM 1498 C GLY A 97 15.472 -1.617 -14.361 1.00 0.00 C ATOM 1499 O GLY A 97 15.124 -0.838 -15.248 1.00 0.00 O ATOM 0 H GLY A 97 13.864 -0.386 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.530 -0.793 -12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.357 -2.022 -12.263 1.00 0.00 H new ATOM 1503 N SER A 98 15.814 -2.879 -14.600 1.00 0.00 N ATOM 1504 CA SER A 98 15.804 -3.431 -15.950 1.00 0.00 C ATOM 1505 C SER A 98 14.591 -2.935 -16.731 1.00 0.00 C ATOM 1506 O SER A 98 13.468 -3.387 -16.509 1.00 0.00 O ATOM 1507 CB SER A 98 15.800 -4.960 -15.897 1.00 0.00 C ATOM 1508 OG SER A 98 14.736 -5.441 -15.094 1.00 0.00 O ATOM 0 H SER A 98 16.101 -3.538 -13.877 1.00 0.00 H new ATOM 0 HA SER A 98 16.706 -3.094 -16.461 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.708 -5.361 -16.906 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.750 -5.315 -15.498 1.00 0.00 H new ATOM 0 HG SER A 98 13.902 -5.000 -15.358 1.00 0.00 H new ATOM 1514 N GLY A 99 14.826 -2.001 -17.647 1.00 0.00 N ATOM 1515 CA GLY A 99 13.745 -1.458 -18.448 1.00 0.00 C ATOM 1516 C GLY A 99 14.187 -1.099 -19.853 1.00 0.00 C ATOM 1517 O GLY A 99 14.278 0.073 -20.218 1.00 0.00 O ATOM 0 H GLY A 99 15.746 -1.610 -17.849 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.935 -2.185 -18.500 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.345 -0.570 -17.958 1.00 0.00 H new ATOM 1521 N PRO A 100 14.472 -2.126 -20.667 1.00 0.00 N ATOM 1522 CA PRO A 100 14.913 -1.939 -22.053 1.00 0.00 C ATOM 1523 C PRO A 100 13.799 -1.410 -22.949 1.00 0.00 C ATOM 1524 O PRO A 100 14.026 -1.096 -24.118 1.00 0.00 O ATOM 1525 CB PRO A 100 15.326 -3.347 -22.487 1.00 0.00 C ATOM 1526 CG PRO A 100 14.535 -4.260 -21.616 1.00 0.00 C ATOM 1527 CD PRO A 100 14.386 -3.549 -20.299 1.00 0.00 C ATOM 0 HA PRO A 100 15.713 -1.203 -22.130 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.106 -3.517 -23.541 1.00 0.00 H new ATOM 0 HB3 PRO A 100 16.397 -3.504 -22.355 1.00 0.00 H new ATOM 0 HG2 PRO A 100 13.561 -4.473 -22.057 1.00 0.00 H new ATOM 0 HG3 PRO A 100 15.044 -5.216 -21.488 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.435 -3.784 -19.821 1.00 0.00 H new ATOM 0 HD3 PRO A 100 15.172 -3.831 -19.599 1.00 0.00 H new ATOM 1535 N SER A 101 12.595 -1.313 -22.394 1.00 0.00 N ATOM 1536 CA SER A 101 11.444 -0.825 -23.145 1.00 0.00 C ATOM 1537 C SER A 101 11.375 0.698 -23.103 1.00 0.00 C ATOM 1538 O SER A 101 10.305 1.286 -23.262 1.00 0.00 O ATOM 1539 CB SER A 101 10.152 -1.422 -22.585 1.00 0.00 C ATOM 1540 OG SER A 101 10.245 -2.832 -22.480 1.00 0.00 O ATOM 0 H SER A 101 12.391 -1.566 -21.427 1.00 0.00 H new ATOM 0 HA SER A 101 11.559 -1.138 -24.183 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.945 -0.994 -21.604 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.315 -1.157 -23.231 1.00 0.00 H new ATOM 0 HG SER A 101 9.407 -3.189 -22.118 1.00 0.00 H new ATOM 1546 N SER A 102 12.523 1.331 -22.887 1.00 0.00 N ATOM 1547 CA SER A 102 12.593 2.786 -22.820 1.00 0.00 C ATOM 1548 C SER A 102 13.119 3.366 -24.130 1.00 0.00 C ATOM 1549 O SER A 102 12.691 4.434 -24.565 1.00 0.00 O ATOM 1550 CB SER A 102 13.491 3.222 -21.660 1.00 0.00 C ATOM 1551 OG SER A 102 12.775 3.231 -20.437 1.00 0.00 O ATOM 0 H SER A 102 13.418 0.859 -22.755 1.00 0.00 H new ATOM 0 HA SER A 102 11.585 3.166 -22.653 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.343 2.546 -21.581 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.890 4.217 -21.859 1.00 0.00 H new ATOM 0 HG SER A 102 13.371 3.511 -19.711 1.00 0.00 H new ATOM 1557 N GLY A 103 14.051 2.653 -24.754 1.00 0.00 N ATOM 1558 CA GLY A 103 14.621 3.111 -26.007 1.00 0.00 C ATOM 1559 C GLY A 103 15.735 2.209 -26.502 1.00 0.00 C ATOM 1560 O GLY A 103 16.519 2.598 -27.367 1.00 0.00 O ATOM 0 H GLY A 103 14.422 1.766 -24.414 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.837 3.162 -26.762 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.007 4.122 -25.879 1.00 0.00 H new TER 1564 GLY A 103