USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 69 SER OG : rot -77:sc= 1.25 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0501) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HE2:sc= 0.0759 F(o=-0.46,f=0.076) USER MOD Single : A 7 MET CE :methyl -114:sc= -1.33 (180deg=-3.44!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.044 K(o=-0.044,f=-0.67) USER MOD Single : A 10 MET CE :methyl 149:sc= -0.159 (180deg=-1.21) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0372) USER MOD Single : A 18 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-6.1!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc= -1.02 USER MOD Single : A 35 SER OG : rot 133:sc= 0.438 USER MOD Single : A 38 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.052 K(o=-0.052,f=-2.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -65:sc= 0.21 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -3.35! C(o=-3.4!,f=-5.8!) USER MOD Single : A 67 THR OG1 : rot 170:sc= -1.57! USER MOD Single : A 73 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-1.2!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.344 9.091 10.216 1.00 0.00 N ATOM 2 CA GLY A 1 -2.077 10.028 9.088 1.00 0.00 C ATOM 3 C GLY A 1 -1.863 11.455 9.555 1.00 0.00 C ATOM 4 O GLY A 1 -2.302 12.400 8.899 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.583 8.152 9.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.497 9.018 10.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.139 9.448 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.195 9.692 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.914 9.999 8.390 1.00 0.00 H new ATOM 10 N SER A 2 -1.190 11.614 10.690 1.00 0.00 N ATOM 11 CA SER A 2 -0.921 12.937 11.244 1.00 0.00 C ATOM 12 C SER A 2 -2.219 13.622 11.666 1.00 0.00 C ATOM 13 O SER A 2 -3.283 13.002 11.672 1.00 0.00 O ATOM 14 CB SER A 2 -0.174 13.806 10.225 1.00 0.00 C ATOM 15 OG SER A 2 1.064 13.218 9.863 1.00 0.00 O ATOM 0 H SER A 2 -0.820 10.842 11.245 1.00 0.00 H new ATOM 0 HA SER A 2 -0.293 12.812 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.790 13.940 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.001 14.797 10.645 1.00 0.00 H new ATOM 0 HG SER A 2 1.520 13.790 9.211 1.00 0.00 H new ATOM 21 N MET A 3 -2.124 14.899 12.022 1.00 0.00 N ATOM 22 CA MET A 3 -3.291 15.665 12.450 1.00 0.00 C ATOM 23 C MET A 3 -4.270 15.869 11.295 1.00 0.00 C ATOM 24 O MET A 3 -3.875 15.886 10.129 1.00 0.00 O ATOM 25 CB MET A 3 -2.856 17.021 13.014 1.00 0.00 C ATOM 26 CG MET A 3 -3.912 17.683 13.884 1.00 0.00 C ATOM 27 SD MET A 3 -3.245 19.021 14.892 1.00 0.00 S ATOM 28 CE MET A 3 -4.622 20.166 14.877 1.00 0.00 C ATOM 0 H MET A 3 -1.251 15.426 12.023 1.00 0.00 H new ATOM 0 HA MET A 3 -3.798 15.098 13.231 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.946 16.887 13.599 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.608 17.687 12.187 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.707 18.074 13.249 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.363 16.934 14.535 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.366 21.051 15.460 1.00 0.00 H new ATOM 0 HE2 MET A 3 -4.840 20.459 13.850 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.499 19.686 15.312 1.00 0.00 H new ATOM 38 N ILE A 4 -5.548 16.024 11.633 1.00 0.00 N ATOM 39 CA ILE A 4 -6.593 16.227 10.632 1.00 0.00 C ATOM 40 C ILE A 4 -6.680 15.050 9.666 1.00 0.00 C ATOM 41 O ILE A 4 -5.730 14.756 8.942 1.00 0.00 O ATOM 42 CB ILE A 4 -6.364 17.518 9.823 1.00 0.00 C ATOM 43 CG1 ILE A 4 -6.040 18.684 10.757 1.00 0.00 C ATOM 44 CG2 ILE A 4 -7.590 17.836 8.978 1.00 0.00 C ATOM 45 CD1 ILE A 4 -5.641 19.949 10.030 1.00 0.00 C ATOM 0 H ILE A 4 -5.886 16.013 12.595 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.530 16.311 11.182 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.514 17.365 9.158 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.910 18.892 11.380 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.232 18.389 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.414 18.751 8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.780 17.013 8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.454 17.972 9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.426 20.733 10.756 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.753 19.758 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.457 20.269 9.382 1.00 0.00 H new ATOM 57 N HIS A 5 -7.831 14.382 9.659 1.00 0.00 N ATOM 58 CA HIS A 5 -8.050 13.239 8.780 1.00 0.00 C ATOM 59 C HIS A 5 -9.502 12.774 8.846 1.00 0.00 C ATOM 60 O HIS A 5 -10.211 12.778 7.840 1.00 0.00 O ATOM 61 CB HIS A 5 -7.110 12.090 9.152 1.00 0.00 C ATOM 62 CG HIS A 5 -6.425 11.476 7.972 1.00 0.00 C ATOM 63 ND1 HIS A 5 -5.121 11.475 7.604 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 -7.092 10.760 7.001 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 -5.028 10.766 6.432 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 -6.231 10.344 6.089 1.00 0.00 N flip ATOM 0 H HIS A 5 -8.627 14.614 10.253 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.835 13.551 7.758 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.357 12.458 9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.678 11.320 9.674 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.351 11.919 8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.155 10.569 6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.118 10.583 5.880 1.00 0.00 H new ATOM 74 N ARG A 6 -9.939 12.376 10.037 1.00 0.00 N ATOM 75 CA ARG A 6 -11.308 11.911 10.232 1.00 0.00 C ATOM 76 C ARG A 6 -11.615 10.719 9.332 1.00 0.00 C ATOM 77 O ARG A 6 -10.854 10.410 8.416 1.00 0.00 O ATOM 78 CB ARG A 6 -12.299 13.041 9.947 1.00 0.00 C ATOM 79 CG ARG A 6 -12.256 14.160 10.973 1.00 0.00 C ATOM 80 CD ARG A 6 -13.632 14.765 11.189 1.00 0.00 C ATOM 81 NE ARG A 6 -13.556 16.165 11.604 1.00 0.00 N ATOM 82 CZ ARG A 6 -14.507 16.786 12.300 1.00 0.00 C ATOM 83 NH1 ARG A 6 -15.611 16.139 12.659 1.00 0.00 N ATOM 84 NH2 ARG A 6 -14.355 18.060 12.638 1.00 0.00 N ATOM 0 H ARG A 6 -9.366 12.366 10.881 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.410 11.596 11.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.091 13.455 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.307 12.629 9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.873 13.775 11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.564 14.934 10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.209 14.691 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.166 14.191 11.946 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.726 16.698 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.735 15.160 12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.335 16.622 13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.511 18.563 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.083 18.537 13.171 1.00 0.00 H new ATOM 98 N MET A 7 -12.736 10.052 9.599 1.00 0.00 N ATOM 99 CA MET A 7 -13.138 8.894 8.810 1.00 0.00 C ATOM 100 C MET A 7 -12.059 7.816 8.850 1.00 0.00 C ATOM 101 O MET A 7 -11.087 7.928 9.596 1.00 0.00 O ATOM 102 CB MET A 7 -13.412 9.312 7.364 1.00 0.00 C ATOM 103 CG MET A 7 -14.833 9.798 7.131 1.00 0.00 C ATOM 104 SD MET A 7 -16.051 8.478 7.283 1.00 0.00 S ATOM 105 CE MET A 7 -16.525 8.652 9.000 1.00 0.00 C ATOM 0 H MET A 7 -13.379 10.294 10.353 1.00 0.00 H new ATOM 0 HA MET A 7 -14.052 8.484 9.239 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.716 10.103 7.085 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.214 8.466 6.706 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.066 10.586 7.847 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.904 10.240 6.137 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.208 7.770 9.556 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.048 9.537 9.421 1.00 0.00 H new ATOM 0 HE3 MET A 7 -17.608 8.755 9.070 1.00 0.00 H new ATOM 115 N SER A 8 -12.232 6.772 8.042 1.00 0.00 N ATOM 116 CA SER A 8 -11.266 5.680 7.992 1.00 0.00 C ATOM 117 C SER A 8 -11.266 4.900 9.302 1.00 0.00 C ATOM 118 O SER A 8 -11.742 5.387 10.327 1.00 0.00 O ATOM 119 CB SER A 8 -9.862 6.222 7.704 1.00 0.00 C ATOM 120 OG SER A 8 -9.896 7.219 6.697 1.00 0.00 O ATOM 0 H SER A 8 -13.029 6.660 7.416 1.00 0.00 H new ATOM 0 HA SER A 8 -11.556 5.006 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.435 6.637 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.211 5.406 7.390 1.00 0.00 H new ATOM 0 HG SER A 8 -8.988 7.550 6.533 1.00 0.00 H new ATOM 126 N ASN A 9 -10.731 3.685 9.259 1.00 0.00 N ATOM 127 CA ASN A 9 -10.669 2.832 10.440 1.00 0.00 C ATOM 128 C ASN A 9 -9.709 1.673 10.210 1.00 0.00 C ATOM 129 O ASN A 9 -8.692 1.547 10.893 1.00 0.00 O ATOM 130 CB ASN A 9 -12.063 2.303 10.784 1.00 0.00 C ATOM 131 CG ASN A 9 -12.420 2.515 12.240 1.00 0.00 C ATOM 132 OD1 ASN A 9 -11.548 2.537 13.109 1.00 0.00 O ATOM 133 ND2 ASN A 9 -13.709 2.672 12.514 1.00 0.00 N ATOM 0 H ASN A 9 -10.333 3.268 8.417 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.302 3.426 11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.802 2.800 10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.112 1.239 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.012 2.818 13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.397 2.647 11.762 1.00 0.00 H new ATOM 140 N MET A 10 -10.034 0.836 9.233 1.00 0.00 N ATOM 141 CA MET A 10 -9.198 -0.304 8.897 1.00 0.00 C ATOM 142 C MET A 10 -8.271 0.059 7.746 1.00 0.00 C ATOM 143 O MET A 10 -8.256 1.203 7.290 1.00 0.00 O ATOM 144 CB MET A 10 -10.061 -1.510 8.516 1.00 0.00 C ATOM 145 CG MET A 10 -10.444 -2.383 9.700 1.00 0.00 C ATOM 146 SD MET A 10 -12.204 -2.777 9.738 1.00 0.00 S ATOM 147 CE MET A 10 -12.465 -3.313 8.049 1.00 0.00 C ATOM 0 H MET A 10 -10.873 0.927 8.660 1.00 0.00 H new ATOM 0 HA MET A 10 -8.601 -0.569 9.769 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.969 -1.157 8.027 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.522 -2.116 7.788 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.870 -3.309 9.664 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.170 -1.874 10.624 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.254 -4.065 8.024 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.757 -2.459 7.437 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.543 -3.742 7.657 1.00 0.00 H new ATOM 157 N ALA A 11 -7.503 -0.911 7.277 1.00 0.00 N ATOM 158 CA ALA A 11 -6.585 -0.674 6.177 1.00 0.00 C ATOM 159 C ALA A 11 -7.235 -1.006 4.842 1.00 0.00 C ATOM 160 O ALA A 11 -7.048 -2.098 4.305 1.00 0.00 O ATOM 161 CB ALA A 11 -5.322 -1.490 6.359 1.00 0.00 C ATOM 0 H ALA A 11 -7.497 -1.865 7.639 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.326 0.385 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.644 -1.302 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.837 -1.207 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.575 -2.550 6.388 1.00 0.00 H new ATOM 167 N THR A 12 -7.992 -0.059 4.306 1.00 0.00 N ATOM 168 CA THR A 12 -8.661 -0.253 3.029 1.00 0.00 C ATOM 169 C THR A 12 -8.587 1.014 2.192 1.00 0.00 C ATOM 170 O THR A 12 -9.196 2.030 2.529 1.00 0.00 O ATOM 171 CB THR A 12 -10.119 -0.659 3.244 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.559 -0.280 4.535 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.349 -2.147 3.095 1.00 0.00 C ATOM 0 H THR A 12 -8.158 0.851 4.736 1.00 0.00 H new ATOM 0 HA THR A 12 -8.152 -1.055 2.494 1.00 0.00 H new ATOM 0 HB THR A 12 -10.684 -0.141 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.495 -0.547 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.403 -2.371 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.064 -2.460 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.746 -2.684 3.827 1.00 0.00 H new ATOM 181 N PHE A 13 -7.841 0.950 1.097 1.00 0.00 N ATOM 182 CA PHE A 13 -7.693 2.098 0.210 1.00 0.00 C ATOM 183 C PHE A 13 -8.630 1.987 -0.989 1.00 0.00 C ATOM 184 O PHE A 13 -8.864 0.896 -1.508 1.00 0.00 O ATOM 185 CB PHE A 13 -6.248 2.210 -0.276 1.00 0.00 C ATOM 186 CG PHE A 13 -6.013 3.391 -1.172 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.072 4.681 -0.669 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.734 3.212 -2.517 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.856 5.770 -1.493 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.517 4.296 -3.345 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.578 5.576 -2.833 1.00 0.00 C ATOM 0 H PHE A 13 -7.330 0.118 0.802 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.954 2.993 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.586 2.280 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.980 1.298 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.289 4.837 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.686 2.212 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.904 6.771 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.300 4.142 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.409 6.425 -3.479 1.00 0.00 H new ATOM 201 N SER A 14 -9.153 3.126 -1.431 1.00 0.00 N ATOM 202 CA SER A 14 -10.053 3.164 -2.578 1.00 0.00 C ATOM 203 C SER A 14 -9.346 3.761 -3.792 1.00 0.00 C ATOM 204 O SER A 14 -8.655 4.774 -3.680 1.00 0.00 O ATOM 205 CB SER A 14 -11.306 3.977 -2.244 1.00 0.00 C ATOM 206 OG SER A 14 -12.335 3.141 -1.743 1.00 0.00 O ATOM 0 H SER A 14 -8.968 4.037 -1.011 1.00 0.00 H new ATOM 0 HA SER A 14 -10.351 2.143 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.062 4.741 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.656 4.496 -3.137 1.00 0.00 H new ATOM 0 HG SER A 14 -13.125 3.683 -1.535 1.00 0.00 H new ATOM 212 N LEU A 15 -9.523 3.137 -4.952 1.00 0.00 N ATOM 213 CA LEU A 15 -8.899 3.626 -6.176 1.00 0.00 C ATOM 214 C LEU A 15 -9.760 4.708 -6.820 1.00 0.00 C ATOM 215 O LEU A 15 -9.245 5.640 -7.438 1.00 0.00 O ATOM 216 CB LEU A 15 -8.674 2.475 -7.162 1.00 0.00 C ATOM 217 CG LEU A 15 -7.231 2.309 -7.643 1.00 0.00 C ATOM 218 CD1 LEU A 15 -7.096 1.051 -8.483 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.786 3.527 -8.437 1.00 0.00 C ATOM 0 H LEU A 15 -10.090 2.297 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.932 4.057 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.993 1.545 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.315 2.629 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.586 2.216 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.064 0.946 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.373 0.183 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.754 1.120 -9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.757 3.389 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.434 3.653 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.847 4.414 -7.807 1.00 0.00 H new ATOM 231 N GLY A 16 -11.074 4.572 -6.672 1.00 0.00 N ATOM 232 CA GLY A 16 -11.989 5.540 -7.246 1.00 0.00 C ATOM 233 C GLY A 16 -12.247 5.285 -8.716 1.00 0.00 C ATOM 234 O GLY A 16 -12.445 6.218 -9.492 1.00 0.00 O ATOM 0 H GLY A 16 -11.521 3.808 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.934 5.510 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.580 6.543 -7.120 1.00 0.00 H new ATOM 238 N LYS A 17 -12.238 4.013 -9.101 1.00 0.00 N ATOM 239 CA LYS A 17 -12.468 3.630 -10.489 1.00 0.00 C ATOM 240 C LYS A 17 -11.434 4.276 -11.407 1.00 0.00 C ATOM 241 O LYS A 17 -11.779 4.983 -12.355 1.00 0.00 O ATOM 242 CB LYS A 17 -13.883 4.023 -10.919 1.00 0.00 C ATOM 243 CG LYS A 17 -14.879 2.880 -10.819 1.00 0.00 C ATOM 244 CD LYS A 17 -16.313 3.383 -10.853 1.00 0.00 C ATOM 245 CE LYS A 17 -17.301 2.273 -10.533 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.230 1.160 -11.521 1.00 0.00 N ATOM 0 H LYS A 17 -12.074 3.229 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.365 2.548 -10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.227 4.851 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.856 4.384 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.718 2.183 -11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.708 2.328 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.432 4.195 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.532 3.794 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.099 1.885 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -18.312 2.681 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.965 0.457 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.381 1.536 -12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.294 0.709 -11.469 1.00 0.00 H new ATOM 260 N HIS A 18 -10.162 4.031 -11.113 1.00 0.00 N ATOM 261 CA HIS A 18 -9.067 4.586 -11.901 1.00 0.00 C ATOM 262 C HIS A 18 -8.278 3.476 -12.594 1.00 0.00 C ATOM 263 O HIS A 18 -8.425 2.301 -12.260 1.00 0.00 O ATOM 264 CB HIS A 18 -8.147 5.404 -10.997 1.00 0.00 C ATOM 265 CG HIS A 18 -8.619 6.807 -10.782 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.793 7.827 -10.364 1.00 0.00 N ATOM 267 CD2 HIS A 18 -9.849 7.358 -10.926 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.489 8.944 -10.257 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.741 8.685 -10.594 1.00 0.00 N ATOM 0 H HIS A 18 -9.862 3.449 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.485 5.234 -12.671 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.062 4.905 -10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.148 5.427 -11.433 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.747 6.848 -11.243 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.102 9.904 -9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.504 9.362 -10.605 1.00 0.00 H new ATOM 277 N PRO A 19 -7.425 3.832 -13.574 1.00 0.00 N ATOM 278 CA PRO A 19 -6.615 2.851 -14.306 1.00 0.00 C ATOM 279 C PRO A 19 -5.668 2.087 -13.387 1.00 0.00 C ATOM 280 O PRO A 19 -5.438 0.894 -13.576 1.00 0.00 O ATOM 281 CB PRO A 19 -5.820 3.706 -15.303 1.00 0.00 C ATOM 282 CG PRO A 19 -5.857 5.087 -14.746 1.00 0.00 C ATOM 283 CD PRO A 19 -7.178 5.207 -14.043 1.00 0.00 C ATOM 0 HA PRO A 19 -7.233 2.089 -14.782 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.795 3.348 -15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.266 3.670 -16.297 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.030 5.253 -14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.766 5.831 -15.537 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.133 5.915 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.964 5.552 -14.715 1.00 0.00 H new ATOM 291 N HIS A 20 -5.128 2.793 -12.393 1.00 0.00 N ATOM 292 CA HIS A 20 -4.200 2.210 -11.424 1.00 0.00 C ATOM 293 C HIS A 20 -3.533 3.306 -10.601 1.00 0.00 C ATOM 294 O HIS A 20 -3.867 4.484 -10.735 1.00 0.00 O ATOM 295 CB HIS A 20 -3.136 1.358 -12.123 1.00 0.00 C ATOM 296 CG HIS A 20 -2.131 2.174 -12.854 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.138 2.867 -12.208 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.976 2.431 -14.173 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.416 3.518 -13.089 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.899 3.273 -14.294 1.00 0.00 N ATOM 0 H HIS A 20 -5.321 3.782 -12.237 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.773 1.564 -10.758 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.627 0.742 -11.382 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.623 0.679 -12.822 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.584 2.046 -14.978 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.432 4.149 -12.866 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.532 3.647 -15.169 1.00 0.00 H new ATOM 308 N VAL A 21 -2.584 2.918 -9.759 1.00 0.00 N ATOM 309 CA VAL A 21 -1.870 3.885 -8.930 1.00 0.00 C ATOM 310 C VAL A 21 -0.393 3.550 -8.810 1.00 0.00 C ATOM 311 O VAL A 21 0.024 2.414 -9.039 1.00 0.00 O ATOM 312 CB VAL A 21 -2.448 3.970 -7.508 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.702 4.831 -7.477 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.727 2.580 -6.964 1.00 0.00 C ATOM 0 H VAL A 21 -2.291 1.949 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.994 4.843 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.706 4.445 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.089 4.873 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.460 5.838 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.456 4.399 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.136 2.659 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.446 2.074 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.800 2.008 -6.936 1.00 0.00 H new ATOM 324 N GLU A 22 0.390 4.553 -8.435 1.00 0.00 N ATOM 325 CA GLU A 22 1.820 4.389 -8.262 1.00 0.00 C ATOM 326 C GLU A 22 2.138 4.081 -6.802 1.00 0.00 C ATOM 327 O GLU A 22 1.505 4.625 -5.895 1.00 0.00 O ATOM 328 CB GLU A 22 2.541 5.662 -8.708 1.00 0.00 C ATOM 329 CG GLU A 22 2.998 5.629 -10.157 1.00 0.00 C ATOM 330 CD GLU A 22 2.477 6.805 -10.962 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.940 7.940 -10.724 1.00 0.00 O ATOM 332 OE2 GLU A 22 1.609 6.589 -11.835 1.00 0.00 O ATOM 0 H GLU A 22 0.051 5.496 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 22 2.164 3.555 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.877 6.514 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.408 5.822 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.087 5.625 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.662 4.701 -10.619 1.00 0.00 H new ATOM 339 N LEU A 23 3.106 3.197 -6.579 1.00 0.00 N ATOM 340 CA LEU A 23 3.507 2.798 -5.227 1.00 0.00 C ATOM 341 C LEU A 23 3.482 3.978 -4.253 1.00 0.00 C ATOM 342 O LEU A 23 3.089 3.831 -3.096 1.00 0.00 O ATOM 343 CB LEU A 23 4.912 2.194 -5.253 1.00 0.00 C ATOM 344 CG LEU A 23 4.968 0.676 -5.438 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.362 0.243 -5.875 1.00 0.00 C ATOM 346 CD2 LEU A 23 4.564 -0.031 -4.152 1.00 0.00 C ATOM 0 H LEU A 23 3.633 2.738 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 23 2.788 2.056 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.476 2.663 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.416 2.449 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 23 4.262 0.396 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.384 -0.839 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.613 0.724 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.088 0.534 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.609 -1.110 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.246 0.254 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.548 0.256 -3.883 1.00 0.00 H new ATOM 358 N CYS A 24 3.913 5.142 -4.726 1.00 0.00 N ATOM 359 CA CYS A 24 3.951 6.339 -3.893 1.00 0.00 C ATOM 360 C CYS A 24 2.550 6.894 -3.652 1.00 0.00 C ATOM 361 O CYS A 24 2.244 7.376 -2.563 1.00 0.00 O ATOM 362 CB CYS A 24 4.828 7.410 -4.544 1.00 0.00 C ATOM 363 SG CYS A 24 6.097 8.089 -3.450 1.00 0.00 S ATOM 0 H CYS A 24 4.241 5.283 -5.682 1.00 0.00 H new ATOM 0 HA CYS A 24 4.377 6.059 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.311 6.984 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.191 8.223 -4.893 1.00 0.00 H new ATOM 0 HG CYS A 24 6.788 8.984 -4.091 1.00 0.00 H new ATOM 369 N ASP A 25 1.703 6.825 -4.671 1.00 0.00 N ATOM 370 CA ASP A 25 0.336 7.325 -4.565 1.00 0.00 C ATOM 371 C ASP A 25 -0.441 6.572 -3.493 1.00 0.00 C ATOM 372 O ASP A 25 -1.011 7.172 -2.583 1.00 0.00 O ATOM 373 CB ASP A 25 -0.378 7.196 -5.912 1.00 0.00 C ATOM 374 CG ASP A 25 0.335 7.949 -7.019 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.177 8.815 -6.699 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.051 7.676 -8.204 1.00 0.00 O ATOM 0 H ASP A 25 1.937 6.428 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 25 0.382 8.376 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.451 6.142 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.397 7.573 -5.818 1.00 0.00 H new ATOM 381 N LEU A 26 -0.465 5.252 -3.617 1.00 0.00 N ATOM 382 CA LEU A 26 -1.177 4.400 -2.672 1.00 0.00 C ATOM 383 C LEU A 26 -0.639 4.560 -1.254 1.00 0.00 C ATOM 384 O LEU A 26 -1.403 4.621 -0.293 1.00 0.00 O ATOM 385 CB LEU A 26 -1.052 2.939 -3.099 1.00 0.00 C ATOM 386 CG LEU A 26 -2.082 1.992 -2.482 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.963 1.383 -3.560 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.394 0.900 -1.675 1.00 0.00 C ATOM 0 H LEU A 26 0.003 4.745 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.224 4.703 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.137 2.885 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.054 2.585 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.714 2.570 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.689 0.712 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.488 2.176 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.345 0.823 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.145 0.237 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.735 0.327 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.809 1.353 -0.875 1.00 0.00 H new ATOM 400 N LEU A 27 0.681 4.602 -1.133 1.00 0.00 N ATOM 401 CA LEU A 27 1.333 4.724 0.166 1.00 0.00 C ATOM 402 C LEU A 27 1.085 6.093 0.796 1.00 0.00 C ATOM 403 O LEU A 27 0.576 6.187 1.912 1.00 0.00 O ATOM 404 CB LEU A 27 2.836 4.476 0.020 1.00 0.00 C ATOM 405 CG LEU A 27 3.271 3.006 0.080 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.396 2.135 -0.814 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.733 2.870 -0.318 1.00 0.00 C ATOM 0 H LEU A 27 1.325 4.553 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 27 0.903 3.973 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.165 4.896 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.355 5.023 0.807 1.00 0.00 H new ATOM 0 HG LEU A 27 3.151 2.662 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.729 1.099 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.359 2.204 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.474 2.478 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.027 1.821 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.869 3.239 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.352 3.452 0.365 1.00 0.00 H new ATOM 419 N LYS A 28 1.452 7.153 0.082 1.00 0.00 N ATOM 420 CA LYS A 28 1.271 8.511 0.588 1.00 0.00 C ATOM 421 C LYS A 28 -0.191 8.781 0.935 1.00 0.00 C ATOM 422 O LYS A 28 -0.512 9.170 2.058 1.00 0.00 O ATOM 423 CB LYS A 28 1.762 9.533 -0.440 1.00 0.00 C ATOM 424 CG LYS A 28 2.619 10.636 0.159 1.00 0.00 C ATOM 425 CD LYS A 28 3.581 11.209 -0.870 1.00 0.00 C ATOM 426 CE LYS A 28 2.890 12.208 -1.786 1.00 0.00 C ATOM 427 NZ LYS A 28 3.224 11.972 -3.217 1.00 0.00 N ATOM 0 H LYS A 28 1.875 7.099 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 28 1.862 8.609 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.336 9.015 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.900 9.982 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.978 11.430 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.181 10.243 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.412 11.696 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.003 10.399 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.811 12.140 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.184 13.220 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.734 12.673 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.251 12.062 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.921 11.016 -3.491 1.00 0.00 H new ATOM 441 N LEU A 29 -1.070 8.584 -0.043 1.00 0.00 N ATOM 442 CA LEU A 29 -2.499 8.816 0.148 1.00 0.00 C ATOM 443 C LEU A 29 -3.037 8.056 1.357 1.00 0.00 C ATOM 444 O LEU A 29 -3.897 8.558 2.083 1.00 0.00 O ATOM 445 CB LEU A 29 -3.276 8.415 -1.108 1.00 0.00 C ATOM 446 CG LEU A 29 -3.084 9.336 -2.315 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.785 8.766 -3.537 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.599 10.736 -2.010 1.00 0.00 C ATOM 0 H LEU A 29 -0.818 8.264 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.636 9.881 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.981 7.405 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.338 8.380 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.017 9.402 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.638 9.434 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.370 7.786 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.851 8.669 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.453 11.375 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.661 10.688 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.052 11.148 -1.162 1.00 0.00 H new ATOM 460 N GLU A 30 -2.539 6.842 1.568 1.00 0.00 N ATOM 461 CA GLU A 30 -2.987 6.022 2.689 1.00 0.00 C ATOM 462 C GLU A 30 -2.330 6.448 4.002 1.00 0.00 C ATOM 463 O GLU A 30 -2.746 6.013 5.076 1.00 0.00 O ATOM 464 CB GLU A 30 -2.695 4.547 2.424 1.00 0.00 C ATOM 465 CG GLU A 30 -3.821 3.822 1.707 1.00 0.00 C ATOM 466 CD GLU A 30 -5.040 3.629 2.588 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.091 2.616 3.318 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.943 4.490 2.549 1.00 0.00 O ATOM 0 H GLU A 30 -1.828 6.405 0.981 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.063 6.168 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.786 4.467 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.499 4.048 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.104 4.386 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.465 2.850 1.367 1.00 0.00 H new ATOM 475 N GLY A 31 -1.312 7.300 3.920 1.00 0.00 N ATOM 476 CA GLY A 31 -0.640 7.758 5.122 1.00 0.00 C ATOM 477 C GLY A 31 0.585 6.935 5.473 1.00 0.00 C ATOM 478 O GLY A 31 1.015 6.915 6.626 1.00 0.00 O ATOM 0 H GLY A 31 -0.943 7.679 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.345 8.799 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.341 7.728 5.956 1.00 0.00 H new ATOM 482 N TRP A 32 1.161 6.261 4.480 1.00 0.00 N ATOM 483 CA TRP A 32 2.351 5.449 4.709 1.00 0.00 C ATOM 484 C TRP A 32 3.567 6.349 4.896 1.00 0.00 C ATOM 485 O TRP A 32 4.182 6.370 5.961 1.00 0.00 O ATOM 486 CB TRP A 32 2.584 4.488 3.536 1.00 0.00 C ATOM 487 CG TRP A 32 1.485 3.484 3.355 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.146 3.751 3.289 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.616 2.057 3.216 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.558 2.587 3.118 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.315 1.539 3.070 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.697 1.157 3.197 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.062 0.185 2.910 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.432 -0.192 3.037 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.124 -0.663 2.896 1.00 0.00 C ATOM 0 H TRP A 32 0.825 6.261 3.517 1.00 0.00 H new ATOM 0 HA TRP A 32 2.200 4.860 5.613 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.691 5.067 2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.525 3.960 3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.293 4.735 3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.572 2.516 3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.712 1.511 3.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.947 -0.184 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.252 -0.894 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.954 -1.722 2.773 1.00 0.00 H new ATOM 506 N SER A 33 3.900 7.097 3.850 1.00 0.00 N ATOM 507 CA SER A 33 5.034 8.009 3.887 1.00 0.00 C ATOM 508 C SER A 33 4.565 9.458 3.961 1.00 0.00 C ATOM 509 O SER A 33 3.655 9.858 3.236 1.00 0.00 O ATOM 510 CB SER A 33 5.901 7.803 2.645 1.00 0.00 C ATOM 511 OG SER A 33 7.220 8.283 2.849 1.00 0.00 O ATOM 0 H SER A 33 3.397 7.088 2.963 1.00 0.00 H new ATOM 0 HA SER A 33 5.622 7.795 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.933 6.743 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.452 8.319 1.796 1.00 0.00 H new ATOM 0 HG SER A 33 7.791 7.996 2.106 1.00 0.00 H new ATOM 517 N GLU A 34 5.188 10.245 4.833 1.00 0.00 N ATOM 518 CA GLU A 34 4.816 11.649 4.974 1.00 0.00 C ATOM 519 C GLU A 34 5.334 12.453 3.789 1.00 0.00 C ATOM 520 O GLU A 34 4.683 13.389 3.324 1.00 0.00 O ATOM 521 CB GLU A 34 5.383 12.221 6.275 1.00 0.00 C ATOM 522 CG GLU A 34 4.565 11.864 7.507 1.00 0.00 C ATOM 523 CD GLU A 34 5.386 11.890 8.782 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.495 12.467 8.765 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.920 11.335 9.799 1.00 0.00 O ATOM 0 H GLU A 34 5.944 9.940 5.446 1.00 0.00 H new ATOM 0 HA GLU A 34 3.728 11.717 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.402 11.857 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.441 13.306 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.733 12.562 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.134 10.871 7.377 1.00 0.00 H new ATOM 532 N SER A 35 6.500 12.062 3.291 1.00 0.00 N ATOM 533 CA SER A 35 7.106 12.722 2.141 1.00 0.00 C ATOM 534 C SER A 35 6.989 11.840 0.904 1.00 0.00 C ATOM 535 O SER A 35 6.652 12.309 -0.183 1.00 0.00 O ATOM 536 CB SER A 35 8.575 13.044 2.419 1.00 0.00 C ATOM 537 OG SER A 35 9.394 11.907 2.215 1.00 0.00 O ATOM 0 H SER A 35 7.047 11.288 3.667 1.00 0.00 H new ATOM 0 HA SER A 35 6.574 13.656 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.903 13.854 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.685 13.396 3.445 1.00 0.00 H new ATOM 0 HG SER A 35 10.174 12.158 1.677 1.00 0.00 H new ATOM 543 N GLY A 36 7.286 10.557 1.087 1.00 0.00 N ATOM 544 CA GLY A 36 7.229 9.609 -0.008 1.00 0.00 C ATOM 545 C GLY A 36 8.605 9.087 -0.380 1.00 0.00 C ATOM 546 O GLY A 36 8.730 8.018 -0.976 1.00 0.00 O ATOM 0 H GLY A 36 7.567 10.156 1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.587 8.773 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.775 10.085 -0.877 1.00 0.00 H new ATOM 550 N ALA A 37 9.639 9.845 -0.021 1.00 0.00 N ATOM 551 CA ALA A 37 11.015 9.460 -0.311 1.00 0.00 C ATOM 552 C ALA A 37 11.895 9.517 0.941 1.00 0.00 C ATOM 553 O ALA A 37 13.084 9.201 0.885 1.00 0.00 O ATOM 554 CB ALA A 37 11.590 10.354 -1.398 1.00 0.00 C ATOM 0 H ALA A 37 9.547 10.733 0.473 1.00 0.00 H new ATOM 0 HA ALA A 37 11.004 8.428 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.618 10.058 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.993 10.255 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.572 11.391 -1.063 1.00 0.00 H new ATOM 560 N GLN A 38 11.308 9.920 2.068 1.00 0.00 N ATOM 561 CA GLN A 38 12.046 10.013 3.324 1.00 0.00 C ATOM 562 C GLN A 38 12.586 8.646 3.732 1.00 0.00 C ATOM 563 O GLN A 38 13.763 8.348 3.531 1.00 0.00 O ATOM 564 CB GLN A 38 11.146 10.578 4.426 1.00 0.00 C ATOM 565 CG GLN A 38 11.799 10.603 5.800 1.00 0.00 C ATOM 566 CD GLN A 38 13.015 11.509 5.852 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.165 12.413 5.031 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.890 11.269 6.821 1.00 0.00 N ATOM 0 H GLN A 38 10.326 10.186 2.135 1.00 0.00 H new ATOM 0 HA GLN A 38 12.890 10.687 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.850 11.592 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.234 9.983 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.070 10.937 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.093 9.591 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.725 10.508 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.727 11.845 6.906 1.00 0.00 H new ATOM 577 N ALA A 39 11.717 7.818 4.306 1.00 0.00 N ATOM 578 CA ALA A 39 12.103 6.483 4.741 1.00 0.00 C ATOM 579 C ALA A 39 12.177 5.509 3.566 1.00 0.00 C ATOM 580 O ALA A 39 12.278 4.299 3.763 1.00 0.00 O ATOM 581 CB ALA A 39 11.118 5.973 5.780 1.00 0.00 C ATOM 0 H ALA A 39 10.739 8.051 4.480 1.00 0.00 H new ATOM 0 HA ALA A 39 13.097 6.548 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.413 4.974 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.115 6.644 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.119 5.935 5.346 1.00 0.00 H new ATOM 587 N LYS A 40 12.120 6.036 2.342 1.00 0.00 N ATOM 588 CA LYS A 40 12.175 5.198 1.155 1.00 0.00 C ATOM 589 C LYS A 40 11.020 4.201 1.157 1.00 0.00 C ATOM 590 O LYS A 40 11.138 3.101 0.624 1.00 0.00 O ATOM 591 CB LYS A 40 13.511 4.450 1.092 1.00 0.00 C ATOM 592 CG LYS A 40 14.630 5.242 0.432 1.00 0.00 C ATOM 593 CD LYS A 40 15.739 4.327 -0.067 1.00 0.00 C ATOM 594 CE LYS A 40 17.073 5.056 -0.159 1.00 0.00 C ATOM 595 NZ LYS A 40 17.241 5.750 -1.467 1.00 0.00 N ATOM 0 H LYS A 40 12.036 7.035 2.152 1.00 0.00 H new ATOM 0 HA LYS A 40 12.088 5.837 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.815 4.184 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.369 3.517 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.228 5.817 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.040 5.958 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.836 3.474 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.472 3.932 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.145 5.784 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.886 4.343 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.162 6.233 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.198 5.053 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.480 6.449 -1.590 1.00 0.00 H new ATOM 609 N ILE A 41 9.905 4.598 1.770 1.00 0.00 N ATOM 610 CA ILE A 41 8.726 3.742 1.858 1.00 0.00 C ATOM 611 C ILE A 41 8.195 3.369 0.471 1.00 0.00 C ATOM 612 O ILE A 41 7.435 2.410 0.328 1.00 0.00 O ATOM 613 CB ILE A 41 7.610 4.419 2.695 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.077 4.609 4.140 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.326 3.602 2.670 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.636 5.919 4.751 1.00 0.00 C ATOM 0 H ILE A 41 9.795 5.510 2.214 1.00 0.00 H new ATOM 0 HA ILE A 41 9.031 2.824 2.360 1.00 0.00 H new ATOM 0 HB ILE A 41 7.402 5.392 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.696 3.788 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.165 4.551 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.564 4.104 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.977 3.504 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.517 2.612 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.003 5.985 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.039 6.747 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.547 5.972 4.752 1.00 0.00 H new ATOM 628 N ALA A 42 8.605 4.121 -0.546 1.00 0.00 N ATOM 629 CA ALA A 42 8.170 3.852 -1.914 1.00 0.00 C ATOM 630 C ALA A 42 8.877 2.622 -2.485 1.00 0.00 C ATOM 631 O ALA A 42 8.306 1.527 -2.529 1.00 0.00 O ATOM 632 CB ALA A 42 8.423 5.064 -2.798 1.00 0.00 C ATOM 0 H ALA A 42 9.235 4.918 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 42 7.099 3.648 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.094 4.848 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.869 5.919 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.488 5.295 -2.803 1.00 0.00 H new ATOM 638 N ILE A 43 10.125 2.806 -2.920 1.00 0.00 N ATOM 639 CA ILE A 43 10.910 1.712 -3.488 1.00 0.00 C ATOM 640 C ILE A 43 10.830 0.471 -2.610 1.00 0.00 C ATOM 641 O ILE A 43 10.792 -0.656 -3.108 1.00 0.00 O ATOM 642 CB ILE A 43 12.392 2.102 -3.669 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.513 3.398 -4.470 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.150 0.980 -4.363 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.852 3.332 -5.831 1.00 0.00 C ATOM 0 H ILE A 43 10.612 3.702 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 43 10.482 1.497 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 43 12.829 2.264 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.068 4.212 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.568 3.639 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.194 1.267 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.091 0.074 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.708 0.794 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.977 4.286 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.313 2.540 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.789 3.122 -5.710 1.00 0.00 H new ATOM 657 N ALA A 44 10.798 0.685 -1.297 1.00 0.00 N ATOM 658 CA ALA A 44 10.713 -0.420 -0.356 1.00 0.00 C ATOM 659 C ALA A 44 9.425 -1.195 -0.567 1.00 0.00 C ATOM 660 O ALA A 44 9.454 -2.349 -0.990 1.00 0.00 O ATOM 661 CB ALA A 44 10.811 0.076 1.079 1.00 0.00 C ATOM 0 H ALA A 44 10.830 1.609 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 44 11.555 -1.088 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.745 -0.771 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 44 11.764 0.585 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.995 0.770 1.281 1.00 0.00 H new ATOM 667 N GLU A 45 8.288 -0.560 -0.271 1.00 0.00 N ATOM 668 CA GLU A 45 6.989 -1.208 -0.437 1.00 0.00 C ATOM 669 C GLU A 45 7.015 -2.154 -1.627 1.00 0.00 C ATOM 670 O GLU A 45 6.513 -3.276 -1.554 1.00 0.00 O ATOM 671 CB GLU A 45 5.874 -0.175 -0.607 1.00 0.00 C ATOM 672 CG GLU A 45 4.533 -0.791 -0.975 1.00 0.00 C ATOM 673 CD GLU A 45 4.142 -1.929 -0.056 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.920 -1.674 1.144 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.056 -3.079 -0.536 1.00 0.00 O ATOM 0 H GLU A 45 8.242 0.396 0.082 1.00 0.00 H new ATOM 0 HA GLU A 45 6.784 -1.783 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.765 0.388 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.163 0.537 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.762 -0.021 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.575 -1.156 -2.001 1.00 0.00 H new ATOM 682 N GLY A 46 7.636 -1.707 -2.715 1.00 0.00 N ATOM 683 CA GLY A 46 7.743 -2.552 -3.883 1.00 0.00 C ATOM 684 C GLY A 46 8.495 -3.829 -3.561 1.00 0.00 C ATOM 685 O GLY A 46 7.889 -4.890 -3.398 1.00 0.00 O ATOM 0 H GLY A 46 8.062 -0.784 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.747 -2.795 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.256 -2.014 -4.680 1.00 0.00 H new ATOM 689 N GLN A 47 9.821 -3.722 -3.474 1.00 0.00 N ATOM 690 CA GLN A 47 10.682 -4.871 -3.177 1.00 0.00 C ATOM 691 C GLN A 47 10.191 -5.691 -1.977 1.00 0.00 C ATOM 692 O GLN A 47 10.698 -6.788 -1.736 1.00 0.00 O ATOM 693 CB GLN A 47 12.124 -4.413 -2.936 1.00 0.00 C ATOM 694 CG GLN A 47 12.244 -3.215 -2.011 1.00 0.00 C ATOM 695 CD GLN A 47 12.839 -3.576 -0.661 1.00 0.00 C ATOM 696 OE1 GLN A 47 12.455 -4.570 -0.045 1.00 0.00 O ATOM 697 NE2 GLN A 47 13.783 -2.765 -0.193 1.00 0.00 N ATOM 0 H GLN A 47 10.327 -2.846 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 47 10.642 -5.521 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.692 -5.242 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.581 -4.167 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.865 -2.455 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.258 -2.775 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.072 -1.952 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.218 -2.956 0.709 1.00 0.00 H new ATOM 706 N VAL A 48 9.218 -5.178 -1.221 1.00 0.00 N ATOM 707 CA VAL A 48 8.713 -5.913 -0.066 1.00 0.00 C ATOM 708 C VAL A 48 7.807 -7.073 -0.504 1.00 0.00 C ATOM 709 O VAL A 48 8.310 -8.143 -0.842 1.00 0.00 O ATOM 710 CB VAL A 48 7.967 -5.010 0.937 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.533 -5.824 2.151 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.840 -3.837 1.358 1.00 0.00 C ATOM 0 H VAL A 48 8.773 -4.275 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 48 9.587 -6.314 0.446 1.00 0.00 H new ATOM 0 HB VAL A 48 7.078 -4.609 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.007 -5.177 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.870 -6.628 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.411 -6.249 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.294 -3.213 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.749 -4.211 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.103 -3.246 0.481 1.00 0.00 H new ATOM 722 N LYS A 49 6.481 -6.879 -0.510 1.00 0.00 N ATOM 723 CA LYS A 49 5.569 -7.949 -0.916 1.00 0.00 C ATOM 724 C LYS A 49 4.166 -7.413 -1.204 1.00 0.00 C ATOM 725 O LYS A 49 3.518 -6.850 -0.324 1.00 0.00 O ATOM 726 CB LYS A 49 5.487 -9.018 0.183 1.00 0.00 C ATOM 727 CG LYS A 49 6.348 -10.247 -0.070 1.00 0.00 C ATOM 728 CD LYS A 49 5.695 -11.201 -1.058 1.00 0.00 C ATOM 729 CE LYS A 49 4.682 -12.106 -0.376 1.00 0.00 C ATOM 730 NZ LYS A 49 5.315 -13.335 0.178 1.00 0.00 N ATOM 0 H LYS A 49 6.025 -6.006 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 49 5.965 -8.388 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.784 -8.570 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.449 -9.332 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.320 -9.937 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.527 -10.766 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.202 -10.630 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.462 -11.809 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.190 -11.558 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.908 -12.387 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.589 -13.924 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.763 -13.872 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.035 -13.069 0.879 1.00 0.00 H new ATOM 744 N VAL A 50 3.684 -7.618 -2.430 1.00 0.00 N ATOM 745 CA VAL A 50 2.343 -7.181 -2.797 1.00 0.00 C ATOM 746 C VAL A 50 1.471 -8.399 -3.082 1.00 0.00 C ATOM 747 O VAL A 50 1.979 -9.441 -3.493 1.00 0.00 O ATOM 748 CB VAL A 50 2.359 -6.257 -4.033 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.996 -5.620 -4.251 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.438 -5.191 -3.890 1.00 0.00 C ATOM 0 H VAL A 50 4.200 -8.081 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 50 1.935 -6.613 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 50 2.591 -6.863 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.033 -4.973 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.251 -6.400 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.726 -5.029 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.434 -4.549 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.241 -4.590 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.412 -5.670 -3.794 1.00 0.00 H new ATOM 760 N ASP A 51 0.169 -8.280 -2.839 1.00 0.00 N ATOM 761 CA ASP A 51 -0.754 -9.397 -3.054 1.00 0.00 C ATOM 762 C ASP A 51 -0.485 -10.095 -4.385 1.00 0.00 C ATOM 763 O ASP A 51 -0.949 -9.654 -5.437 1.00 0.00 O ATOM 764 CB ASP A 51 -2.201 -8.910 -3.012 1.00 0.00 C ATOM 765 CG ASP A 51 -3.189 -10.039 -2.784 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.010 -10.796 -1.808 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.141 -10.165 -3.583 1.00 0.00 O ATOM 0 H ASP A 51 -0.272 -7.427 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.591 -10.116 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.309 -8.171 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.439 -8.407 -3.949 1.00 0.00 H new ATOM 772 N GLY A 52 0.270 -11.188 -4.325 1.00 0.00 N ATOM 773 CA GLY A 52 0.594 -11.936 -5.525 1.00 0.00 C ATOM 774 C GLY A 52 1.530 -11.183 -6.451 1.00 0.00 C ATOM 775 O GLY A 52 1.657 -11.529 -7.626 1.00 0.00 O ATOM 0 H GLY A 52 0.664 -11.569 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.053 -12.884 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.326 -12.173 -6.060 1.00 0.00 H new ATOM 779 N ALA A 53 2.188 -10.150 -5.929 1.00 0.00 N ATOM 780 CA ALA A 53 3.109 -9.358 -6.733 1.00 0.00 C ATOM 781 C ALA A 53 4.296 -8.851 -5.915 1.00 0.00 C ATOM 782 O ALA A 53 4.316 -7.706 -5.466 1.00 0.00 O ATOM 783 CB ALA A 53 2.373 -8.195 -7.383 1.00 0.00 C ATOM 0 H ALA A 53 2.100 -9.845 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 53 3.508 -10.009 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.072 -7.611 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.580 -8.579 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.939 -7.561 -6.610 1.00 0.00 H new ATOM 789 N VAL A 54 5.288 -9.708 -5.719 1.00 0.00 N ATOM 790 CA VAL A 54 6.472 -9.330 -4.963 1.00 0.00 C ATOM 791 C VAL A 54 7.534 -8.749 -5.896 1.00 0.00 C ATOM 792 O VAL A 54 8.552 -9.381 -6.172 1.00 0.00 O ATOM 793 CB VAL A 54 7.050 -10.532 -4.189 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.351 -11.689 -5.130 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.291 -10.127 -3.403 1.00 0.00 C ATOM 0 H VAL A 54 5.296 -10.665 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 54 6.177 -8.570 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 54 6.298 -10.868 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.758 -12.525 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.433 -12.001 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.078 -11.371 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.680 -10.992 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.051 -9.755 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.031 -9.344 -2.690 1.00 0.00 H new ATOM 805 N GLU A 55 7.280 -7.538 -6.384 1.00 0.00 N ATOM 806 CA GLU A 55 8.203 -6.868 -7.295 1.00 0.00 C ATOM 807 C GLU A 55 9.064 -5.857 -6.547 1.00 0.00 C ATOM 808 O GLU A 55 9.024 -5.790 -5.323 1.00 0.00 O ATOM 809 CB GLU A 55 7.423 -6.163 -8.406 1.00 0.00 C ATOM 810 CG GLU A 55 7.243 -7.009 -9.655 1.00 0.00 C ATOM 811 CD GLU A 55 6.219 -6.429 -10.609 1.00 0.00 C ATOM 812 OE1 GLU A 55 5.030 -6.356 -10.232 1.00 0.00 O ATOM 813 OE2 GLU A 55 6.605 -6.046 -11.734 1.00 0.00 O ATOM 0 H GLU A 55 6.442 -7.000 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 55 8.857 -7.621 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.442 -5.879 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.940 -5.242 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.200 -7.101 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.937 -8.015 -9.367 1.00 0.00 H new ATOM 820 N THR A 56 9.848 -5.080 -7.291 1.00 0.00 N ATOM 821 CA THR A 56 10.721 -4.079 -6.685 1.00 0.00 C ATOM 822 C THR A 56 10.884 -2.857 -7.584 1.00 0.00 C ATOM 823 O THR A 56 11.994 -2.364 -7.786 1.00 0.00 O ATOM 824 CB THR A 56 12.091 -4.687 -6.371 1.00 0.00 C ATOM 825 OG1 THR A 56 13.022 -3.680 -6.018 1.00 0.00 O ATOM 826 CG2 THR A 56 12.678 -5.470 -7.525 1.00 0.00 C ATOM 0 H THR A 56 9.896 -5.124 -8.309 1.00 0.00 H new ATOM 0 HA THR A 56 10.252 -3.752 -5.757 1.00 0.00 H new ATOM 0 HB THR A 56 11.917 -5.370 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.179 -3.095 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.648 -5.873 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.008 -6.289 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.801 -4.813 -8.386 1.00 0.00 H new ATOM 834 N ARG A 57 9.773 -2.364 -8.117 1.00 0.00 N ATOM 835 CA ARG A 57 9.801 -1.193 -8.984 1.00 0.00 C ATOM 836 C ARG A 57 9.445 0.064 -8.197 1.00 0.00 C ATOM 837 O ARG A 57 9.082 -0.013 -7.023 1.00 0.00 O ATOM 838 CB ARG A 57 8.826 -1.369 -10.149 1.00 0.00 C ATOM 839 CG ARG A 57 9.164 -2.537 -11.061 1.00 0.00 C ATOM 840 CD ARG A 57 8.956 -2.182 -12.526 1.00 0.00 C ATOM 841 NE ARG A 57 9.295 -3.293 -13.411 1.00 0.00 N ATOM 842 CZ ARG A 57 10.543 -3.683 -13.664 1.00 0.00 C ATOM 843 NH1 ARG A 57 11.567 -3.046 -13.111 1.00 0.00 N ATOM 844 NH2 ARG A 57 10.767 -4.710 -14.472 1.00 0.00 N ATOM 0 H ARG A 57 8.844 -2.756 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 57 10.811 -1.086 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.821 -1.510 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.810 -0.452 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.200 -2.836 -10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.542 -3.394 -10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.917 -1.895 -12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.568 -1.316 -12.780 1.00 0.00 H new ATOM 0 HE ARG A 57 8.532 -3.799 -13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.400 -2.255 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.521 -3.348 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.983 -5.202 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.723 -5.008 -14.665 1.00 0.00 H new ATOM 858 N LYS A 58 9.544 1.217 -8.848 1.00 0.00 N ATOM 859 CA LYS A 58 9.219 2.480 -8.199 1.00 0.00 C ATOM 860 C LYS A 58 7.710 2.631 -8.076 1.00 0.00 C ATOM 861 O LYS A 58 7.203 3.129 -7.073 1.00 0.00 O ATOM 862 CB LYS A 58 9.806 3.649 -8.987 1.00 0.00 C ATOM 863 CG LYS A 58 11.297 3.508 -9.251 1.00 0.00 C ATOM 864 CD LYS A 58 11.588 3.293 -10.728 1.00 0.00 C ATOM 865 CE LYS A 58 13.001 3.730 -11.083 1.00 0.00 C ATOM 866 NZ LYS A 58 14.024 2.759 -10.603 1.00 0.00 N ATOM 0 H LYS A 58 9.845 1.303 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 58 9.655 2.483 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.282 3.736 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.627 4.574 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.814 4.403 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.691 2.670 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.458 2.240 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.870 3.853 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.085 3.840 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.198 4.709 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.972 3.095 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.962 2.672 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.853 1.830 -11.039 1.00 0.00 H new ATOM 880 N ARG A 59 7.002 2.186 -9.108 1.00 0.00 N ATOM 881 CA ARG A 59 5.547 2.250 -9.131 1.00 0.00 C ATOM 882 C ARG A 59 4.968 0.877 -9.455 1.00 0.00 C ATOM 883 O ARG A 59 5.657 0.030 -10.024 1.00 0.00 O ATOM 884 CB ARG A 59 5.074 3.277 -10.158 1.00 0.00 C ATOM 885 CG ARG A 59 5.475 2.940 -11.585 1.00 0.00 C ATOM 886 CD ARG A 59 4.563 3.618 -12.595 1.00 0.00 C ATOM 887 NE ARG A 59 5.309 4.146 -13.734 1.00 0.00 N ATOM 888 CZ ARG A 59 4.944 5.221 -14.431 1.00 0.00 C ATOM 889 NH1 ARG A 59 3.843 5.890 -14.110 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.683 5.628 -15.453 1.00 0.00 N ATOM 0 H ARG A 59 7.416 1.775 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 59 5.196 2.558 -8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.988 3.359 -10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.481 4.254 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.505 3.251 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.440 1.860 -11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.818 2.905 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.022 4.429 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 59 6.162 3.662 -14.013 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.270 5.582 -13.325 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.570 6.712 -14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.530 5.118 -15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.405 6.451 -15.988 1.00 0.00 H new ATOM 904 N CYS A 60 3.709 0.650 -9.089 1.00 0.00 N ATOM 905 CA CYS A 60 3.076 -0.636 -9.350 1.00 0.00 C ATOM 906 C CYS A 60 1.682 -0.460 -9.933 1.00 0.00 C ATOM 907 O CYS A 60 0.784 0.061 -9.272 1.00 0.00 O ATOM 908 CB CYS A 60 2.996 -1.462 -8.063 1.00 0.00 C ATOM 909 SG CYS A 60 3.378 -3.215 -8.283 1.00 0.00 S ATOM 0 H CYS A 60 3.115 1.331 -8.617 1.00 0.00 H new ATOM 0 HA CYS A 60 3.689 -1.163 -10.081 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.685 -1.041 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.993 -1.370 -7.647 1.00 0.00 H new ATOM 0 HG CYS A 60 3.285 -3.826 -7.139 1.00 0.00 H new ATOM 915 N LYS A 61 1.502 -0.910 -11.170 1.00 0.00 N ATOM 916 CA LYS A 61 0.208 -0.818 -11.831 1.00 0.00 C ATOM 917 C LYS A 61 -0.741 -1.854 -11.243 1.00 0.00 C ATOM 918 O LYS A 61 -0.737 -3.015 -11.652 1.00 0.00 O ATOM 919 CB LYS A 61 0.359 -1.035 -13.338 1.00 0.00 C ATOM 920 CG LYS A 61 0.759 0.218 -14.098 1.00 0.00 C ATOM 921 CD LYS A 61 1.289 -0.116 -15.482 1.00 0.00 C ATOM 922 CE LYS A 61 2.756 -0.513 -15.433 1.00 0.00 C ATOM 923 NZ LYS A 61 3.361 -0.570 -16.793 1.00 0.00 N ATOM 0 H LYS A 61 2.235 -1.341 -11.733 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.202 0.179 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.107 -1.809 -13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.584 -1.407 -13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.101 0.881 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.521 0.758 -13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.704 -0.930 -15.911 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.165 0.745 -16.138 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.305 0.202 -14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.853 -1.486 -14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.361 -0.844 -16.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.853 -1.271 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.292 0.365 -17.243 1.00 0.00 H new ATOM 937 N ILE A 62 -1.532 -1.432 -10.263 1.00 0.00 N ATOM 938 CA ILE A 62 -2.466 -2.332 -9.596 1.00 0.00 C ATOM 939 C ILE A 62 -3.842 -1.700 -9.461 1.00 0.00 C ATOM 940 O ILE A 62 -3.968 -0.494 -9.249 1.00 0.00 O ATOM 941 CB ILE A 62 -1.967 -2.712 -8.187 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.451 -2.950 -8.191 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.712 -3.935 -7.673 1.00 0.00 C ATOM 944 CD1 ILE A 62 -0.024 -4.221 -8.897 1.00 0.00 C ATOM 0 H ILE A 62 -1.545 -0.474 -9.913 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.533 -3.226 -10.216 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.171 -1.881 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.038 -2.101 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.097 -2.983 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.349 -4.191 -6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.779 -3.717 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.543 -4.774 -8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.061 -4.314 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.481 -5.081 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.344 -4.184 -9.938 1.00 0.00 H new ATOM 956 N VAL A 63 -4.873 -2.528 -9.572 1.00 0.00 N ATOM 957 CA VAL A 63 -6.243 -2.059 -9.453 1.00 0.00 C ATOM 958 C VAL A 63 -7.137 -3.142 -8.852 1.00 0.00 C ATOM 959 O VAL A 63 -6.698 -4.272 -8.648 1.00 0.00 O ATOM 960 CB VAL A 63 -6.815 -1.643 -10.820 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.161 -0.359 -11.298 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.630 -2.758 -11.839 1.00 0.00 C ATOM 0 H VAL A 63 -4.784 -3.529 -9.745 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.227 -1.190 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.884 -1.461 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.576 -0.078 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.351 0.436 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.086 -0.512 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.041 -2.445 -12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.568 -2.975 -11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.149 -3.653 -11.497 1.00 0.00 H new ATOM 972 N ALA A 64 -8.395 -2.797 -8.585 1.00 0.00 N ATOM 973 CA ALA A 64 -9.351 -3.751 -8.022 1.00 0.00 C ATOM 974 C ALA A 64 -9.059 -4.053 -6.548 1.00 0.00 C ATOM 975 O ALA A 64 -8.523 -3.210 -5.828 1.00 0.00 O ATOM 976 CB ALA A 64 -9.358 -5.035 -8.847 1.00 0.00 C ATOM 0 H ALA A 64 -8.777 -1.865 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.340 -3.296 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.073 -5.738 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.644 -4.806 -9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.363 -5.479 -8.838 1.00 0.00 H new ATOM 982 N GLY A 65 -9.424 -5.260 -6.105 1.00 0.00 N ATOM 983 CA GLY A 65 -9.210 -5.657 -4.728 1.00 0.00 C ATOM 984 C GLY A 65 -7.856 -6.297 -4.511 1.00 0.00 C ATOM 985 O GLY A 65 -7.735 -7.522 -4.484 1.00 0.00 O ATOM 0 H GLY A 65 -9.868 -5.971 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.302 -4.783 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.991 -6.357 -4.430 1.00 0.00 H new ATOM 989 N GLN A 66 -6.834 -5.466 -4.370 1.00 0.00 N ATOM 990 CA GLN A 66 -5.471 -5.955 -4.172 1.00 0.00 C ATOM 991 C GLN A 66 -4.871 -5.423 -2.872 1.00 0.00 C ATOM 992 O GLN A 66 -5.302 -4.398 -2.345 1.00 0.00 O ATOM 993 CB GLN A 66 -4.598 -5.551 -5.360 1.00 0.00 C ATOM 994 CG GLN A 66 -4.984 -6.250 -6.654 1.00 0.00 C ATOM 995 CD GLN A 66 -3.781 -6.701 -7.458 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.681 -6.843 -6.925 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.983 -6.932 -8.751 1.00 0.00 N ATOM 0 H GLN A 66 -6.919 -4.450 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.507 -7.042 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.667 -4.473 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.557 -5.776 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.606 -7.115 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.588 -5.575 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.911 -6.802 -9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.210 -7.239 -9.341 1.00 0.00 H new ATOM 1006 N THR A 67 -3.888 -6.153 -2.348 1.00 0.00 N ATOM 1007 CA THR A 67 -3.236 -5.787 -1.090 1.00 0.00 C ATOM 1008 C THR A 67 -1.746 -5.515 -1.270 1.00 0.00 C ATOM 1009 O THR A 67 -1.081 -6.134 -2.099 1.00 0.00 O ATOM 1010 CB THR A 67 -3.425 -6.903 -0.063 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.796 -7.214 0.091 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.868 -6.568 1.306 1.00 0.00 C ATOM 0 H THR A 67 -3.524 -7.004 -2.776 1.00 0.00 H new ATOM 0 HA THR A 67 -3.704 -4.867 -0.739 1.00 0.00 H new ATOM 0 HB THR A 67 -2.869 -7.753 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.888 -8.031 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.038 -7.405 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.798 -6.377 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.367 -5.680 1.695 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.232 -4.593 -0.459 1.00 0.00 N ATOM 1021 CA VAL A 68 0.180 -4.224 -0.480 1.00 0.00 C ATOM 1022 C VAL A 68 0.789 -4.398 0.916 1.00 0.00 C ATOM 1023 O VAL A 68 0.098 -4.238 1.921 1.00 0.00 O ATOM 1024 CB VAL A 68 0.364 -2.769 -1.000 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.025 -1.859 0.030 1.00 0.00 C ATOM 1026 CG2 VAL A 68 1.160 -2.769 -2.297 1.00 0.00 C ATOM 0 H VAL A 68 -1.783 -4.081 0.230 1.00 0.00 H new ATOM 0 HA VAL A 68 0.706 -4.886 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.632 -2.367 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.129 -0.856 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.409 -1.818 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.010 -2.251 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.281 -1.745 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.141 -3.211 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.629 -3.351 -3.050 1.00 0.00 H new ATOM 1036 N SER A 69 2.077 -4.744 0.977 1.00 0.00 N ATOM 1037 CA SER A 69 2.742 -4.951 2.265 1.00 0.00 C ATOM 1038 C SER A 69 4.181 -4.427 2.268 1.00 0.00 C ATOM 1039 O SER A 69 4.930 -4.611 1.302 1.00 0.00 O ATOM 1040 CB SER A 69 2.734 -6.438 2.627 1.00 0.00 C ATOM 1041 OG SER A 69 1.423 -6.884 2.923 1.00 0.00 O ATOM 0 H SER A 69 2.673 -4.885 0.162 1.00 0.00 H new ATOM 0 HA SER A 69 2.184 -4.384 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.141 -7.019 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.382 -6.610 3.486 1.00 0.00 H new ATOM 0 HG SER A 69 1.174 -6.593 3.825 1.00 0.00 H new ATOM 1047 N PHE A 70 4.551 -3.781 3.380 1.00 0.00 N ATOM 1048 CA PHE A 70 5.893 -3.222 3.561 1.00 0.00 C ATOM 1049 C PHE A 70 6.262 -3.178 5.043 1.00 0.00 C ATOM 1050 O PHE A 70 5.517 -2.630 5.853 1.00 0.00 O ATOM 1051 CB PHE A 70 5.969 -1.813 2.972 1.00 0.00 C ATOM 1052 CG PHE A 70 7.216 -1.053 3.339 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.415 -1.710 3.565 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.181 0.323 3.455 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.555 -1.007 3.900 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.316 1.034 3.791 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.505 0.369 4.014 1.00 0.00 C ATOM 0 H PHE A 70 3.930 -3.632 4.176 1.00 0.00 H new ATOM 0 HA PHE A 70 6.601 -3.866 3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.907 -1.882 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.100 -1.245 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.458 -2.786 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.254 0.849 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.483 -1.531 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.274 2.110 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.394 0.923 4.277 1.00 0.00 H new ATOM 1067 N ALA A 71 7.418 -3.749 5.387 1.00 0.00 N ATOM 1068 CA ALA A 71 7.892 -3.770 6.771 1.00 0.00 C ATOM 1069 C ALA A 71 6.787 -4.214 7.731 1.00 0.00 C ATOM 1070 O ALA A 71 6.681 -5.395 8.063 1.00 0.00 O ATOM 1071 CB ALA A 71 8.435 -2.402 7.167 1.00 0.00 C ATOM 0 H ALA A 71 8.045 -4.204 4.723 1.00 0.00 H new ATOM 0 HA ALA A 71 8.700 -4.498 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.784 -2.434 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.265 -2.136 6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.646 -1.656 7.074 1.00 0.00 H new ATOM 1077 N GLY A 72 5.967 -3.264 8.169 1.00 0.00 N ATOM 1078 CA GLY A 72 4.882 -3.580 9.079 1.00 0.00 C ATOM 1079 C GLY A 72 3.541 -3.059 8.606 1.00 0.00 C ATOM 1080 O GLY A 72 2.510 -3.366 9.205 1.00 0.00 O ATOM 0 H GLY A 72 6.035 -2.280 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.822 -4.661 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.104 -3.159 10.060 1.00 0.00 H new ATOM 1084 N HIS A 73 3.541 -2.261 7.541 1.00 0.00 N ATOM 1085 CA HIS A 73 2.302 -1.702 7.023 1.00 0.00 C ATOM 1086 C HIS A 73 1.661 -2.629 5.990 1.00 0.00 C ATOM 1087 O HIS A 73 2.155 -2.766 4.872 1.00 0.00 O ATOM 1088 CB HIS A 73 2.546 -0.325 6.399 1.00 0.00 C ATOM 1089 CG HIS A 73 3.461 0.551 7.198 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.763 0.319 8.524 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.146 1.669 6.850 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.590 1.254 8.959 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.838 2.083 7.962 1.00 0.00 N ATOM 0 H HIS A 73 4.379 -1.991 7.026 1.00 0.00 H new ATOM 0 HA HIS A 73 1.617 -1.596 7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.966 -0.458 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.589 0.182 6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.147 2.144 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.993 1.327 9.958 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.446 2.900 8.010 1.00 0.00 H new ATOM 1101 N SER A 74 0.550 -3.252 6.371 1.00 0.00 N ATOM 1102 CA SER A 74 -0.173 -4.155 5.482 1.00 0.00 C ATOM 1103 C SER A 74 -1.587 -3.634 5.239 1.00 0.00 C ATOM 1104 O SER A 74 -2.434 -3.675 6.133 1.00 0.00 O ATOM 1105 CB SER A 74 -0.223 -5.561 6.086 1.00 0.00 C ATOM 1106 OG SER A 74 0.585 -6.461 5.348 1.00 0.00 O ATOM 0 H SER A 74 0.129 -3.147 7.294 1.00 0.00 H new ATOM 0 HA SER A 74 0.351 -4.202 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.116 -5.528 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.253 -5.918 6.099 1.00 0.00 H new ATOM 0 HG SER A 74 0.537 -7.352 5.754 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.837 -3.123 4.036 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.149 -2.574 3.701 1.00 0.00 C ATOM 1114 C VAL A 75 -3.678 -3.126 2.379 1.00 0.00 C ATOM 1115 O VAL A 75 -2.909 -3.503 1.496 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.090 -1.030 3.615 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.475 -0.420 3.452 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.395 -0.445 4.837 1.00 0.00 C ATOM 0 H VAL A 75 -1.153 -3.077 3.281 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.829 -2.874 4.499 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.509 -0.779 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.390 0.665 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.933 -0.796 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.095 -0.692 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.366 0.641 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.943 -0.725 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.378 -0.832 4.897 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.005 -3.159 2.250 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.651 -3.653 1.041 1.00 0.00 C ATOM 1130 C GLN A 76 -6.345 -2.512 0.304 1.00 0.00 C ATOM 1131 O GLN A 76 -6.544 -1.432 0.862 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.678 -4.735 1.388 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.189 -5.736 2.423 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.321 -6.531 3.044 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.371 -6.717 2.430 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.111 -7.008 4.266 1.00 0.00 N ATOM 0 H GLN A 76 -5.653 -2.847 2.973 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.884 -4.081 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.585 -4.257 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.949 -5.270 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.482 -6.421 1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.648 -5.207 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.225 -6.829 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.836 -7.553 4.732 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.691 -2.750 -0.957 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.343 -1.732 -1.774 1.00 0.00 C ATOM 1147 C VAL A 77 -8.498 -2.316 -2.580 1.00 0.00 C ATOM 1148 O VAL A 77 -8.458 -3.478 -2.971 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.338 -1.085 -2.744 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.958 0.113 -3.451 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.070 -0.687 -2.004 1.00 0.00 C ATOM 0 H VAL A 77 -6.531 -3.637 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.734 -0.978 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.074 -1.818 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.228 0.552 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.832 -0.211 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.259 0.856 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.369 -0.231 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.316 0.028 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.615 -1.572 -1.559 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.519 -1.499 -2.828 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.682 -1.933 -3.596 1.00 0.00 C ATOM 1163 C VAL A 78 -11.030 -0.916 -4.682 1.00 0.00 C ATOM 1164 O VAL A 78 -10.627 0.245 -4.610 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.914 -2.139 -2.692 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.692 -3.299 -1.733 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.241 -0.862 -1.930 1.00 0.00 C ATOM 0 H VAL A 78 -9.564 -0.532 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.418 -2.885 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.765 -2.384 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.574 -3.426 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.517 -4.212 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.826 -3.091 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.113 -1.029 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.391 -0.581 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.453 -0.060 -2.637 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.778 -1.360 -5.688 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.179 -0.488 -6.787 1.00 0.00 C ATOM 1179 C ALA A 79 -13.457 -0.990 -7.449 1.00 0.00 C ATOM 1180 O ALA A 79 -14.213 -0.154 -7.986 1.00 0.00 O ATOM 1181 CB ALA A 79 -11.059 -0.387 -7.811 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.690 -2.217 -7.425 1.00 0.00 O ATOM 0 H ALA A 79 -12.119 -2.318 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.378 0.503 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.369 0.266 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.168 0.024 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.836 -1.378 -8.205 1.00 0.00 H new TER 1188 ALA A 79