USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.17 K(o=1.5,f=0.9) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.364 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.205 X(o=-0.023,f=0.1) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.181 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.125 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0497 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.000727 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 11:sc= 0.529 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0899 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -155:sc= 0.629 USER MOD Single : A 34 TYR OH : rot -174:sc= 0.0597 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 37 ASN : amide:sc=-0.00869 X(o=-0.0087,f=-0.31) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.0477 X(o=0.048,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00855 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.11) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 0.943 (180deg=0.609) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.00423 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 84 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.289! X(o=0.29!,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 78:sc= 0.0409 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 1.22 K(o=1.2,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.739 -9.012 -4.628 1.00 0.00 N ATOM 2 CA ALA A 1 -2.445 -8.656 -3.976 1.00 0.00 C ATOM 3 C ALA A 1 -1.801 -7.413 -4.621 1.00 0.00 C ATOM 4 O ALA A 1 -2.118 -7.064 -5.760 1.00 0.00 O ATOM 5 CB ALA A 1 -1.474 -9.856 -3.971 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.521 -8.845 -3.963 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.874 -8.425 -5.476 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.726 -10.015 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.664 -8.401 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.540 -9.566 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.923 -10.685 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.273 -10.165 -4.997 1.00 0.00 H new ATOM 13 N VAL A 2 -0.898 -6.737 -3.895 1.00 0.00 N ATOM 14 CA VAL A 2 -0.199 -5.498 -4.313 1.00 0.00 C ATOM 15 C VAL A 2 1.310 -5.622 -4.043 1.00 0.00 C ATOM 16 O VAL A 2 1.711 -6.232 -3.052 1.00 0.00 O ATOM 17 CB VAL A 2 -0.789 -4.262 -3.585 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.155 -2.942 -4.044 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.302 -4.126 -3.816 1.00 0.00 C ATOM 0 H VAL A 2 -0.619 -7.045 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.348 -5.360 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.570 -4.436 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.607 -2.113 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.917 -2.965 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.323 -2.810 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.673 -3.248 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.499 -4.019 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.809 -5.015 -3.441 1.00 0.00 H new ATOM 29 N GLU A 3 2.143 -5.028 -4.910 1.00 0.00 N ATOM 30 CA GLU A 3 3.614 -4.976 -4.781 1.00 0.00 C ATOM 31 C GLU A 3 4.261 -6.377 -4.657 1.00 0.00 C ATOM 32 O GLU A 3 5.010 -6.676 -3.722 1.00 0.00 O ATOM 33 CB GLU A 3 3.999 -3.971 -3.675 1.00 0.00 C ATOM 34 CG GLU A 3 5.439 -3.456 -3.790 1.00 0.00 C ATOM 35 CD GLU A 3 5.741 -2.452 -2.661 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.446 -1.242 -2.822 1.00 0.00 O ATOM 37 OE2 GLU A 3 6.277 -2.861 -1.600 1.00 0.00 O ATOM 0 H GLU A 3 1.805 -4.555 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 3 4.043 -4.598 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.315 -3.123 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.868 -4.445 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.136 -4.292 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.585 -2.979 -4.759 1.00 0.00 H new ATOM 44 N VAL A 4 3.937 -7.260 -5.613 1.00 0.00 N ATOM 45 CA VAL A 4 4.410 -8.657 -5.671 1.00 0.00 C ATOM 46 C VAL A 4 5.627 -8.767 -6.602 1.00 0.00 C ATOM 47 O VAL A 4 5.761 -7.996 -7.555 1.00 0.00 O ATOM 48 CB VAL A 4 3.256 -9.601 -6.089 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.647 -11.086 -6.059 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.042 -9.448 -5.159 1.00 0.00 C ATOM 0 H VAL A 4 3.322 -7.018 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 4 4.734 -8.971 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 4 3.016 -9.307 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.794 -11.693 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.477 -11.258 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.948 -11.363 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.250 -10.125 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.334 -9.690 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.680 -8.421 -5.199 1.00 0.00 H new ATOM 60 N GLU A 5 6.510 -9.742 -6.363 1.00 0.00 N ATOM 61 CA GLU A 5 7.719 -10.030 -7.161 1.00 0.00 C ATOM 62 C GLU A 5 7.391 -10.715 -8.513 1.00 0.00 C ATOM 63 O GLU A 5 7.889 -11.797 -8.836 1.00 0.00 O ATOM 64 CB GLU A 5 8.720 -10.841 -6.314 1.00 0.00 C ATOM 65 CG GLU A 5 9.212 -10.087 -5.072 1.00 0.00 C ATOM 66 CD GLU A 5 10.203 -10.954 -4.271 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.768 -11.687 -3.348 1.00 0.00 O ATOM 68 OE2 GLU A 5 11.426 -10.909 -4.553 1.00 0.00 O ATOM 0 H GLU A 5 6.402 -10.382 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 5 8.186 -9.082 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.250 -11.774 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.577 -11.107 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.694 -9.156 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.364 -9.818 -4.443 1.00 0.00 H new ATOM 75 N VAL A 6 6.503 -10.090 -9.295 1.00 0.00 N ATOM 76 CA VAL A 6 6.004 -10.578 -10.593 1.00 0.00 C ATOM 77 C VAL A 6 7.051 -10.450 -11.721 1.00 0.00 C ATOM 78 O VAL A 6 7.344 -11.473 -12.349 1.00 0.00 O ATOM 79 CB VAL A 6 4.645 -9.919 -10.924 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.211 -10.100 -12.384 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.547 -10.524 -10.042 1.00 0.00 C ATOM 0 H VAL A 6 6.094 -9.193 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 6 5.828 -11.651 -10.512 1.00 0.00 H new ATOM 0 HB VAL A 6 4.782 -8.853 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.249 -9.611 -12.541 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.956 -9.655 -13.043 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.119 -11.163 -12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.591 -10.057 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.482 -11.596 -10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.786 -10.350 -8.993 1.00 0.00 H new ATOM 91 N PRO A 7 7.645 -9.267 -12.000 1.00 0.00 N ATOM 92 CA PRO A 7 8.692 -9.131 -13.016 1.00 0.00 C ATOM 93 C PRO A 7 10.084 -9.543 -12.497 1.00 0.00 C ATOM 94 O PRO A 7 10.306 -9.730 -11.297 1.00 0.00 O ATOM 95 CB PRO A 7 8.660 -7.656 -13.422 1.00 0.00 C ATOM 96 CG PRO A 7 8.318 -6.974 -12.100 1.00 0.00 C ATOM 97 CD PRO A 7 7.324 -7.948 -11.461 1.00 0.00 C ATOM 0 HA PRO A 7 8.507 -9.797 -13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.618 -7.321 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.911 -7.459 -14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.202 -6.832 -11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.876 -5.990 -12.255 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.413 -7.939 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.298 -7.669 -11.699 1.00 0.00 H new ATOM 105 N GLY A 8 11.038 -9.639 -13.428 1.00 0.00 N ATOM 106 CA GLY A 8 12.462 -9.908 -13.164 1.00 0.00 C ATOM 107 C GLY A 8 13.120 -10.798 -14.227 1.00 0.00 C ATOM 108 O GLY A 8 12.489 -11.725 -14.738 1.00 0.00 O ATOM 0 H GLY A 8 10.837 -9.528 -14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.999 -8.961 -13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.559 -10.386 -12.189 1.00 0.00 H new ATOM 112 N LEU A 9 14.388 -10.516 -14.569 1.00 0.00 N ATOM 113 CA LEU A 9 15.184 -11.308 -15.528 1.00 0.00 C ATOM 114 C LEU A 9 16.683 -11.427 -15.161 1.00 0.00 C ATOM 115 O LEU A 9 17.544 -11.471 -16.040 1.00 0.00 O ATOM 116 CB LEU A 9 14.873 -10.879 -16.986 1.00 0.00 C ATOM 117 CG LEU A 9 15.040 -9.400 -17.392 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.487 -8.941 -17.543 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.357 -9.156 -18.739 1.00 0.00 C ATOM 0 H LEU A 9 14.898 -9.721 -14.183 1.00 0.00 H new ATOM 0 HA LEU A 9 14.861 -12.346 -15.453 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.508 -11.473 -17.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.842 -11.162 -17.197 1.00 0.00 H new ATOM 0 HG LEU A 9 14.592 -8.833 -16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.507 -7.890 -17.830 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.010 -9.069 -16.595 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.979 -9.536 -18.312 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.476 -8.111 -19.023 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.811 -9.793 -19.498 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.296 -9.391 -18.657 1.00 0.00 H new ATOM 131 N LEU A 10 16.999 -11.510 -13.858 1.00 0.00 N ATOM 132 CA LEU A 10 18.372 -11.736 -13.375 1.00 0.00 C ATOM 133 C LEU A 10 18.894 -13.084 -13.884 1.00 0.00 C ATOM 134 O LEU A 10 18.463 -14.139 -13.413 1.00 0.00 O ATOM 135 CB LEU A 10 18.441 -11.700 -11.832 1.00 0.00 C ATOM 136 CG LEU A 10 18.474 -10.283 -11.238 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.872 -10.262 -9.832 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.904 -9.756 -11.120 1.00 0.00 C ATOM 0 H LEU A 10 16.311 -11.422 -13.110 1.00 0.00 H new ATOM 0 HA LEU A 10 18.998 -10.932 -13.762 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.579 -12.232 -11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.330 -12.240 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 10 17.895 -9.656 -11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.908 -9.247 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.836 -10.598 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.442 -10.926 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.888 -8.752 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.482 -10.414 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.363 -9.725 -12.108 1.00 0.00 H new ATOM 150 N THR A 11 19.877 -13.039 -14.782 1.00 0.00 N ATOM 151 CA THR A 11 20.563 -14.226 -15.300 1.00 0.00 C ATOM 152 C THR A 11 22.018 -14.257 -14.840 1.00 0.00 C ATOM 153 O THR A 11 22.710 -13.238 -14.802 1.00 0.00 O ATOM 154 CB THR A 11 20.441 -14.324 -16.829 1.00 0.00 C ATOM 155 OG1 THR A 11 19.081 -14.526 -17.173 1.00 0.00 O ATOM 156 CG2 THR A 11 21.225 -15.497 -17.421 1.00 0.00 C ATOM 0 H THR A 11 20.226 -12.166 -15.177 1.00 0.00 H new ATOM 0 HA THR A 11 20.071 -15.107 -14.888 1.00 0.00 H new ATOM 0 HB THR A 11 20.845 -13.395 -17.230 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.996 -14.588 -18.147 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.098 -15.510 -18.503 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.283 -15.386 -17.181 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.854 -16.432 -17.000 1.00 0.00 H new ATOM 164 N ASP A 12 22.483 -15.454 -14.494 1.00 0.00 N ATOM 165 CA ASP A 12 23.873 -15.798 -14.204 1.00 0.00 C ATOM 166 C ASP A 12 24.745 -15.804 -15.478 1.00 0.00 C ATOM 167 O ASP A 12 25.357 -16.812 -15.842 1.00 0.00 O ATOM 168 CB ASP A 12 23.916 -17.125 -13.423 1.00 0.00 C ATOM 169 CG ASP A 12 23.343 -18.337 -14.192 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.177 -18.276 -14.657 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.029 -19.385 -14.276 1.00 0.00 O ATOM 0 H ASP A 12 21.863 -16.259 -14.403 1.00 0.00 H new ATOM 0 HA ASP A 12 24.312 -15.027 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.949 -17.339 -13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.360 -17.004 -12.494 1.00 0.00 H new ATOM 176 N HIS A 13 24.834 -14.657 -16.165 1.00 0.00 N ATOM 177 CA HIS A 13 25.752 -14.422 -17.292 1.00 0.00 C ATOM 178 C HIS A 13 27.181 -14.153 -16.776 1.00 0.00 C ATOM 179 O HIS A 13 27.874 -13.232 -17.216 1.00 0.00 O ATOM 180 CB HIS A 13 25.197 -13.320 -18.219 1.00 0.00 C ATOM 181 CG HIS A 13 24.029 -13.723 -19.090 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.869 -12.965 -19.290 1.00 0.00 N ATOM 183 CD2 HIS A 13 23.976 -14.826 -19.892 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.147 -13.630 -20.207 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.784 -14.754 -20.581 1.00 0.00 N ATOM 0 H HIS A 13 24.256 -13.845 -15.948 1.00 0.00 H new ATOM 0 HA HIS A 13 25.822 -15.319 -17.907 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.893 -12.473 -17.604 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.004 -12.972 -18.864 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.722 -15.603 -19.971 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.190 -13.308 -20.590 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.443 -15.436 -21.258 1.00 0.00 H new ATOM 193 N THR A 14 27.616 -14.950 -15.795 1.00 0.00 N ATOM 194 CA THR A 14 28.864 -14.781 -15.052 1.00 0.00 C ATOM 195 C THR A 14 29.648 -16.099 -14.933 1.00 0.00 C ATOM 196 O THR A 14 29.065 -17.149 -14.657 1.00 0.00 O ATOM 197 CB THR A 14 28.621 -14.145 -13.669 1.00 0.00 C ATOM 198 OG1 THR A 14 27.748 -14.927 -12.888 1.00 0.00 O ATOM 199 CG2 THR A 14 27.981 -12.757 -13.722 1.00 0.00 C ATOM 0 H THR A 14 27.084 -15.764 -15.486 1.00 0.00 H new ATOM 0 HA THR A 14 29.482 -14.091 -15.627 1.00 0.00 H new ATOM 0 HB THR A 14 29.621 -14.077 -13.241 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.615 -14.498 -12.017 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.844 -12.381 -12.708 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.629 -12.078 -14.277 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.013 -12.821 -14.219 1.00 0.00 H new ATOM 207 N VAL A 15 30.972 -16.063 -15.174 1.00 0.00 N ATOM 208 CA VAL A 15 31.841 -17.265 -15.307 1.00 0.00 C ATOM 209 C VAL A 15 33.175 -17.164 -14.538 1.00 0.00 C ATOM 210 O VAL A 15 34.206 -17.700 -14.953 1.00 0.00 O ATOM 211 CB VAL A 15 32.044 -17.674 -16.787 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.704 -18.077 -17.411 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.675 -16.597 -17.677 1.00 0.00 C ATOM 0 H VAL A 15 31.484 -15.188 -15.285 1.00 0.00 H new ATOM 0 HA VAL A 15 31.295 -18.072 -14.819 1.00 0.00 H new ATOM 0 HB VAL A 15 32.747 -18.506 -16.749 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.858 -18.363 -18.452 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.286 -18.920 -16.861 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.013 -17.235 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.776 -16.978 -18.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.039 -15.712 -17.683 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.659 -16.335 -17.289 1.00 0.00 H new ATOM 223 N SER A 16 33.138 -16.504 -13.377 1.00 0.00 N ATOM 224 CA SER A 16 34.303 -16.216 -12.513 1.00 0.00 C ATOM 225 C SER A 16 34.095 -16.734 -11.086 1.00 0.00 C ATOM 226 O SER A 16 32.971 -16.728 -10.595 1.00 0.00 O ATOM 227 CB SER A 16 34.568 -14.706 -12.527 1.00 0.00 C ATOM 228 OG SER A 16 35.228 -14.285 -11.345 1.00 0.00 O ATOM 0 H SER A 16 32.267 -16.139 -12.992 1.00 0.00 H new ATOM 0 HA SER A 16 35.174 -16.741 -12.905 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.175 -14.450 -13.395 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.624 -14.170 -12.629 1.00 0.00 H new ATOM 0 HG SER A 16 35.909 -13.617 -11.571 1.00 0.00 H new ATOM 234 N SER A 17 35.165 -17.104 -10.375 1.00 0.00 N ATOM 235 CA SER A 17 35.094 -17.564 -8.974 1.00 0.00 C ATOM 236 C SER A 17 34.466 -16.526 -8.027 1.00 0.00 C ATOM 237 O SER A 17 33.745 -16.894 -7.100 1.00 0.00 O ATOM 238 CB SER A 17 36.496 -17.926 -8.465 1.00 0.00 C ATOM 239 OG SER A 17 37.103 -18.891 -9.318 1.00 0.00 O ATOM 0 H SER A 17 36.113 -17.095 -10.753 1.00 0.00 H new ATOM 0 HA SER A 17 34.447 -18.441 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.116 -17.030 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.431 -18.319 -7.450 1.00 0.00 H new ATOM 0 HG SER A 17 37.997 -19.110 -8.981 1.00 0.00 H new ATOM 245 N ILE A 18 34.688 -15.228 -8.290 1.00 0.00 N ATOM 246 CA ILE A 18 34.002 -14.103 -7.618 1.00 0.00 C ATOM 247 C ILE A 18 32.748 -13.653 -8.380 1.00 0.00 C ATOM 248 O ILE A 18 31.711 -13.427 -7.765 1.00 0.00 O ATOM 249 CB ILE A 18 34.958 -12.911 -7.347 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.048 -12.782 -8.433 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.576 -13.041 -5.945 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.796 -11.460 -8.494 1.00 0.00 C ATOM 0 H ILE A 18 35.363 -14.921 -8.990 1.00 0.00 H new ATOM 0 HA ILE A 18 33.674 -14.479 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 18 34.371 -11.993 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.776 -13.579 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.584 -12.956 -9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.246 -12.200 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.783 -13.042 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.138 -13.973 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.533 -11.496 -9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.091 -10.651 -8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.302 -11.284 -7.545 1.00 0.00 H new ATOM 264 N GLY A 19 32.779 -13.553 -9.714 1.00 0.00 N ATOM 265 CA GLY A 19 31.628 -13.046 -10.482 1.00 0.00 C ATOM 266 C GLY A 19 30.399 -13.970 -10.466 1.00 0.00 C ATOM 267 O GLY A 19 29.266 -13.492 -10.508 1.00 0.00 O ATOM 0 H GLY A 19 33.583 -13.814 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.341 -12.073 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.937 -12.889 -11.516 1.00 0.00 H new ATOM 271 N HIS A 20 30.597 -15.283 -10.323 1.00 0.00 N ATOM 272 CA HIS A 20 29.520 -16.257 -10.093 1.00 0.00 C ATOM 273 C HIS A 20 28.879 -16.069 -8.709 1.00 0.00 C ATOM 274 O HIS A 20 27.658 -16.147 -8.574 1.00 0.00 O ATOM 275 CB HIS A 20 30.064 -17.685 -10.240 1.00 0.00 C ATOM 276 CG HIS A 20 29.005 -18.749 -10.066 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.064 -19.125 -11.030 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.811 -19.498 -8.941 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.323 -20.093 -10.461 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.751 -20.339 -9.210 1.00 0.00 N ATOM 0 H HIS A 20 31.523 -15.708 -10.364 1.00 0.00 H new ATOM 0 HA HIS A 20 28.746 -16.089 -10.842 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.520 -17.793 -11.224 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.853 -17.843 -9.504 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.376 -19.443 -8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.500 -20.601 -10.941 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.359 -21.029 -8.570 1.00 0.00 H new ATOM 288 N ASP A 21 29.678 -15.745 -7.686 1.00 0.00 N ATOM 289 CA ASP A 21 29.171 -15.472 -6.342 1.00 0.00 C ATOM 290 C ASP A 21 28.455 -14.116 -6.286 1.00 0.00 C ATOM 291 O ASP A 21 27.439 -14.006 -5.600 1.00 0.00 O ATOM 292 CB ASP A 21 30.307 -15.551 -5.308 1.00 0.00 C ATOM 293 CG ASP A 21 30.738 -16.985 -4.930 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.643 -17.118 -4.070 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.163 -17.984 -5.430 1.00 0.00 O ATOM 0 H ASP A 21 30.692 -15.666 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 21 28.437 -16.238 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.173 -15.017 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.993 -15.030 -4.403 1.00 0.00 H new ATOM 300 N PHE A 22 28.913 -13.100 -7.037 1.00 0.00 N ATOM 301 CA PHE A 22 28.229 -11.803 -7.130 1.00 0.00 C ATOM 302 C PHE A 22 26.784 -11.966 -7.590 1.00 0.00 C ATOM 303 O PHE A 22 25.904 -11.355 -6.999 1.00 0.00 O ATOM 304 CB PHE A 22 28.973 -10.856 -8.081 1.00 0.00 C ATOM 305 CG PHE A 22 28.378 -9.456 -8.144 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.879 -8.412 -7.341 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.289 -9.203 -8.996 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.317 -7.124 -7.421 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.705 -7.927 -9.057 1.00 0.00 C ATOM 310 CZ PHE A 22 27.232 -6.883 -8.282 1.00 0.00 C ATOM 0 H PHE A 22 29.765 -13.156 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 22 28.226 -11.369 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.014 -10.784 -7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.972 -11.287 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.697 -8.601 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.897 -9.999 -9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.719 -6.321 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.854 -7.750 -9.698 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.804 -5.894 -8.347 1.00 0.00 H new ATOM 320 N TYR A 23 26.523 -12.816 -8.590 1.00 0.00 N ATOM 321 CA TYR A 23 25.156 -13.100 -9.047 1.00 0.00 C ATOM 322 C TYR A 23 24.245 -13.530 -7.884 1.00 0.00 C ATOM 323 O TYR A 23 23.209 -12.906 -7.645 1.00 0.00 O ATOM 324 CB TYR A 23 25.170 -14.170 -10.152 1.00 0.00 C ATOM 325 CG TYR A 23 23.775 -14.625 -10.536 1.00 0.00 C ATOM 326 CD1 TYR A 23 22.968 -13.814 -11.351 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.257 -15.820 -10.001 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.631 -14.175 -11.603 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.927 -16.195 -10.265 1.00 0.00 C ATOM 330 CZ TYR A 23 21.106 -15.373 -11.066 1.00 0.00 C ATOM 331 OH TYR A 23 19.823 -15.755 -11.320 1.00 0.00 O ATOM 0 H TYR A 23 27.245 -13.323 -9.102 1.00 0.00 H new ATOM 0 HA TYR A 23 24.746 -12.178 -9.458 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.674 -13.772 -11.033 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.749 -15.029 -9.814 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.374 -12.912 -11.785 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.882 -16.450 -9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.005 -13.536 -12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.534 -17.113 -9.854 1.00 0.00 H new ATOM 0 HH TYR A 23 19.447 -15.190 -12.027 1.00 0.00 H new ATOM 341 N ARG A 24 24.670 -14.553 -7.127 1.00 0.00 N ATOM 342 CA ARG A 24 23.888 -15.137 -6.023 1.00 0.00 C ATOM 343 C ARG A 24 23.736 -14.160 -4.856 1.00 0.00 C ATOM 344 O ARG A 24 22.641 -13.968 -4.334 1.00 0.00 O ATOM 345 CB ARG A 24 24.525 -16.455 -5.547 1.00 0.00 C ATOM 346 CG ARG A 24 24.730 -17.466 -6.689 1.00 0.00 C ATOM 347 CD ARG A 24 25.053 -18.876 -6.178 1.00 0.00 C ATOM 348 NE ARG A 24 23.880 -19.514 -5.542 1.00 0.00 N ATOM 349 CZ ARG A 24 23.861 -20.653 -4.870 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.938 -21.363 -4.677 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.747 -21.107 -4.372 1.00 0.00 N ATOM 0 H ARG A 24 25.575 -15.003 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 24 22.889 -15.348 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.487 -16.241 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.892 -16.903 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.830 -17.503 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.540 -17.122 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.396 -19.493 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.871 -18.823 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 24 22.990 -19.023 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.832 -21.044 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.886 -22.237 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.881 -20.583 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.740 -21.986 -3.855 1.00 0.00 H new ATOM 365 N ALA A 25 24.832 -13.501 -4.477 1.00 0.00 N ATOM 366 CA ALA A 25 24.848 -12.528 -3.391 1.00 0.00 C ATOM 367 C ALA A 25 24.017 -11.280 -3.719 1.00 0.00 C ATOM 368 O ALA A 25 23.256 -10.819 -2.874 1.00 0.00 O ATOM 369 CB ALA A 25 26.307 -12.174 -3.085 1.00 0.00 C ATOM 0 H ALA A 25 25.741 -13.631 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 25 24.383 -12.967 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.342 -11.446 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.845 -13.074 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.773 -11.749 -3.974 1.00 0.00 H new ATOM 375 N PHE A 26 24.103 -10.752 -4.943 1.00 0.00 N ATOM 376 CA PHE A 26 23.286 -9.622 -5.382 1.00 0.00 C ATOM 377 C PHE A 26 21.800 -9.993 -5.343 1.00 0.00 C ATOM 378 O PHE A 26 21.017 -9.297 -4.702 1.00 0.00 O ATOM 379 CB PHE A 26 23.748 -9.167 -6.779 1.00 0.00 C ATOM 380 CG PHE A 26 22.965 -8.013 -7.392 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.665 -8.220 -7.896 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.544 -6.731 -7.494 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.943 -7.159 -8.463 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.828 -5.672 -8.087 1.00 0.00 C ATOM 385 CZ PHE A 26 21.523 -5.886 -8.565 1.00 0.00 C ATOM 0 H PHE A 26 24.743 -11.098 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 26 23.416 -8.780 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.797 -8.878 -6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.691 -10.020 -7.456 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.221 -9.203 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.541 -6.560 -7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.938 -7.323 -8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.282 -4.696 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.969 -5.072 -9.009 1.00 0.00 H new ATOM 395 N SER A 27 21.404 -11.109 -5.963 1.00 0.00 N ATOM 396 CA SER A 27 19.993 -11.515 -6.051 1.00 0.00 C ATOM 397 C SER A 27 19.380 -11.864 -4.684 1.00 0.00 C ATOM 398 O SER A 27 18.186 -11.639 -4.474 1.00 0.00 O ATOM 399 CB SER A 27 19.805 -12.674 -7.038 1.00 0.00 C ATOM 400 OG SER A 27 20.365 -13.880 -6.547 1.00 0.00 O ATOM 0 H SER A 27 22.048 -11.756 -6.417 1.00 0.00 H new ATOM 0 HA SER A 27 19.454 -10.645 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.742 -12.819 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.269 -12.419 -7.991 1.00 0.00 H new ATOM 0 HG SER A 27 21.048 -13.674 -5.875 1.00 0.00 H new ATOM 406 N ASP A 28 20.189 -12.327 -3.723 1.00 0.00 N ATOM 407 CA ASP A 28 19.778 -12.584 -2.340 1.00 0.00 C ATOM 408 C ASP A 28 19.342 -11.311 -1.585 1.00 0.00 C ATOM 409 O ASP A 28 18.441 -11.395 -0.744 1.00 0.00 O ATOM 410 CB ASP A 28 20.924 -13.273 -1.575 1.00 0.00 C ATOM 411 CG ASP A 28 20.972 -14.810 -1.711 1.00 0.00 C ATOM 412 OD1 ASP A 28 22.041 -15.397 -1.411 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.939 -15.455 -2.018 1.00 0.00 O ATOM 0 H ASP A 28 21.173 -12.538 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 28 18.905 -13.235 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.871 -12.863 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.838 -13.020 -0.518 1.00 0.00 H new ATOM 418 N LYS A 29 19.946 -10.142 -1.876 1.00 0.00 N ATOM 419 CA LYS A 29 19.579 -8.842 -1.263 1.00 0.00 C ATOM 420 C LYS A 29 18.917 -7.826 -2.216 1.00 0.00 C ATOM 421 O LYS A 29 18.552 -6.730 -1.787 1.00 0.00 O ATOM 422 CB LYS A 29 20.717 -8.237 -0.401 1.00 0.00 C ATOM 423 CG LYS A 29 22.173 -8.648 -0.701 1.00 0.00 C ATOM 424 CD LYS A 29 22.644 -9.962 -0.044 1.00 0.00 C ATOM 425 CE LYS A 29 22.637 -9.894 1.494 1.00 0.00 C ATOM 426 NZ LYS A 29 23.151 -11.150 2.115 1.00 0.00 N ATOM 0 H LYS A 29 20.709 -10.069 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 29 18.775 -9.093 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.656 -7.152 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.511 -8.486 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.290 -8.740 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.833 -7.844 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.999 -10.778 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.652 -10.195 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.247 -9.052 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.622 -9.707 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.128 -11.060 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.554 -11.951 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.129 -11.316 1.803 1.00 0.00 H new ATOM 440 N TRP A 30 18.712 -8.178 -3.485 1.00 0.00 N ATOM 441 CA TRP A 30 18.077 -7.316 -4.487 1.00 0.00 C ATOM 442 C TRP A 30 16.610 -6.978 -4.158 1.00 0.00 C ATOM 443 O TRP A 30 15.794 -7.863 -3.890 1.00 0.00 O ATOM 444 CB TRP A 30 18.179 -7.952 -5.878 1.00 0.00 C ATOM 445 CG TRP A 30 17.529 -7.139 -6.951 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.468 -7.515 -7.698 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.835 -5.769 -7.354 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.103 -6.481 -8.539 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.903 -5.372 -8.358 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.798 -4.818 -6.958 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.931 -4.101 -8.945 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.826 -3.533 -7.530 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.902 -3.173 -8.526 1.00 0.00 C ATOM 0 H TRP A 30 18.987 -9.088 -3.855 1.00 0.00 H new ATOM 0 HA TRP A 30 18.622 -6.372 -4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.230 -8.096 -6.128 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.720 -8.940 -5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.980 -8.477 -7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.337 -6.532 -9.210 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.525 -5.080 -6.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.216 -3.836 -9.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.564 -2.817 -7.201 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.937 -2.188 -8.968 1.00 0.00 H new ATOM 464 N GLU A 31 16.282 -5.685 -4.221 1.00 0.00 N ATOM 465 CA GLU A 31 14.929 -5.125 -4.137 1.00 0.00 C ATOM 466 C GLU A 31 14.941 -3.705 -4.737 1.00 0.00 C ATOM 467 O GLU A 31 15.863 -2.930 -4.464 1.00 0.00 O ATOM 468 CB GLU A 31 14.464 -5.088 -2.667 1.00 0.00 C ATOM 469 CG GLU A 31 13.011 -4.624 -2.516 1.00 0.00 C ATOM 470 CD GLU A 31 12.562 -4.708 -1.044 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.768 -3.729 -0.284 1.00 0.00 O ATOM 472 OE2 GLU A 31 11.995 -5.751 -0.634 1.00 0.00 O ATOM 0 H GLU A 31 16.991 -4.961 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 31 14.233 -5.749 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.571 -6.082 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.114 -4.421 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.912 -3.599 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.361 -5.242 -3.135 1.00 0.00 H new ATOM 479 N SER A 32 13.933 -3.352 -5.543 1.00 0.00 N ATOM 480 CA SER A 32 13.792 -2.003 -6.118 1.00 0.00 C ATOM 481 C SER A 32 12.331 -1.604 -6.391 1.00 0.00 C ATOM 482 O SER A 32 11.431 -2.448 -6.388 1.00 0.00 O ATOM 483 CB SER A 32 14.628 -1.873 -7.383 1.00 0.00 C ATOM 484 OG SER A 32 14.917 -0.497 -7.574 1.00 0.00 O ATOM 0 H SER A 32 13.189 -3.993 -5.817 1.00 0.00 H new ATOM 0 HA SER A 32 14.163 -1.308 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.550 -2.448 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.087 -2.272 -8.241 1.00 0.00 H new ATOM 0 HG SER A 32 15.082 -0.326 -8.525 1.00 0.00 H new ATOM 490 N ASP A 33 12.091 -0.310 -6.622 1.00 0.00 N ATOM 491 CA ASP A 33 10.745 0.266 -6.808 1.00 0.00 C ATOM 492 C ASP A 33 10.205 0.143 -8.250 1.00 0.00 C ATOM 493 O ASP A 33 8.991 0.081 -8.461 1.00 0.00 O ATOM 494 CB ASP A 33 10.777 1.735 -6.368 1.00 0.00 C ATOM 495 CG ASP A 33 9.364 2.348 -6.337 1.00 0.00 C ATOM 496 OD1 ASP A 33 9.045 3.192 -7.208 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.577 2.000 -5.423 1.00 0.00 O ATOM 0 H ASP A 33 12.836 0.383 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 33 10.055 -0.311 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.228 1.809 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.407 2.306 -7.050 1.00 0.00 H new ATOM 502 N TYR A 34 11.105 0.089 -9.239 1.00 0.00 N ATOM 503 CA TYR A 34 10.785 -0.059 -10.667 1.00 0.00 C ATOM 504 C TYR A 34 10.542 -1.536 -11.068 1.00 0.00 C ATOM 505 O TYR A 34 10.438 -2.430 -10.226 1.00 0.00 O ATOM 506 CB TYR A 34 11.884 0.629 -11.508 1.00 0.00 C ATOM 507 CG TYR A 34 13.138 -0.201 -11.702 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.431 -0.782 -12.952 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.984 -0.441 -10.609 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.537 -1.641 -13.084 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.080 -1.312 -10.730 1.00 0.00 C ATOM 512 CZ TYR A 34 15.364 -1.915 -11.971 1.00 0.00 C ATOM 513 OH TYR A 34 16.430 -2.747 -12.101 1.00 0.00 O ATOM 0 H TYR A 34 12.108 0.149 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 34 9.838 0.441 -10.873 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.473 0.878 -12.486 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.156 1.569 -11.028 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.807 -0.568 -13.807 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.791 0.048 -9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.755 -2.093 -14.040 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.704 -1.519 -9.873 1.00 0.00 H new ATOM 0 HH TYR A 34 16.834 -2.901 -11.222 1.00 0.00 H new ATOM 523 N THR A 35 10.458 -1.806 -12.377 1.00 0.00 N ATOM 524 CA THR A 35 10.071 -3.104 -12.968 1.00 0.00 C ATOM 525 C THR A 35 11.142 -4.201 -12.831 1.00 0.00 C ATOM 526 O THR A 35 10.881 -5.351 -13.160 1.00 0.00 O ATOM 527 CB THR A 35 9.675 -2.915 -14.452 1.00 0.00 C ATOM 528 OG1 THR A 35 9.163 -1.613 -14.684 1.00 0.00 O ATOM 529 CG2 THR A 35 8.586 -3.894 -14.900 1.00 0.00 C ATOM 0 H THR A 35 10.665 -1.102 -13.085 1.00 0.00 H new ATOM 0 HA THR A 35 9.214 -3.456 -12.394 1.00 0.00 H new ATOM 0 HB THR A 35 10.591 -3.091 -15.016 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.922 -1.520 -15.629 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.347 -3.717 -15.949 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.943 -4.917 -14.777 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.692 -3.746 -14.294 1.00 0.00 H new ATOM 537 N GLY A 36 12.354 -3.895 -12.349 1.00 0.00 N ATOM 538 CA GLY A 36 13.363 -4.910 -11.990 1.00 0.00 C ATOM 539 C GLY A 36 13.916 -5.740 -13.149 1.00 0.00 C ATOM 540 O GLY A 36 14.385 -6.857 -12.950 1.00 0.00 O ATOM 0 H GLY A 36 12.666 -2.936 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.196 -4.408 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.923 -5.589 -11.259 1.00 0.00 H new ATOM 544 N ASN A 37 13.872 -5.218 -14.376 1.00 0.00 N ATOM 545 CA ASN A 37 14.319 -5.938 -15.575 1.00 0.00 C ATOM 546 C ASN A 37 15.836 -5.811 -15.802 1.00 0.00 C ATOM 547 O ASN A 37 16.294 -5.214 -16.775 1.00 0.00 O ATOM 548 CB ASN A 37 13.492 -5.511 -16.795 1.00 0.00 C ATOM 549 CG ASN A 37 11.995 -5.738 -16.659 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.199 -4.821 -16.776 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.560 -6.958 -16.426 1.00 0.00 N ATOM 0 H ASN A 37 13.524 -4.279 -14.569 1.00 0.00 H new ATOM 0 HA ASN A 37 14.141 -7.002 -15.418 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.669 -4.452 -16.985 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.850 -6.056 -17.668 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.559 -7.135 -16.344 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.224 -7.726 -16.328 1.00 0.00 H new ATOM 558 N LEU A 38 16.615 -6.374 -14.879 1.00 0.00 N ATOM 559 CA LEU A 38 18.086 -6.324 -14.872 1.00 0.00 C ATOM 560 C LEU A 38 18.766 -7.695 -14.933 1.00 0.00 C ATOM 561 O LEU A 38 18.237 -8.673 -14.416 1.00 0.00 O ATOM 562 CB LEU A 38 18.605 -5.492 -13.685 1.00 0.00 C ATOM 563 CG LEU A 38 18.696 -6.202 -12.314 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.240 -5.238 -11.270 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.362 -6.694 -11.765 1.00 0.00 C ATOM 0 H LEU A 38 16.233 -6.895 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 38 18.365 -5.827 -15.801 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.598 -5.121 -13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.958 -4.622 -13.573 1.00 0.00 H new ATOM 0 HG LEU A 38 19.341 -7.063 -12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.302 -5.743 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.233 -4.901 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.575 -4.378 -11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.521 -7.178 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.686 -5.848 -11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.923 -7.408 -12.462 1.00 0.00 H new ATOM 577 N THR A 39 19.972 -7.742 -15.501 1.00 0.00 N ATOM 578 CA THR A 39 20.845 -8.925 -15.521 1.00 0.00 C ATOM 579 C THR A 39 22.305 -8.561 -15.224 1.00 0.00 C ATOM 580 O THR A 39 22.695 -7.394 -15.294 1.00 0.00 O ATOM 581 CB THR A 39 20.689 -9.704 -16.833 1.00 0.00 C ATOM 582 OG1 THR A 39 21.264 -10.973 -16.633 1.00 0.00 O ATOM 583 CG2 THR A 39 21.337 -9.049 -18.047 1.00 0.00 C ATOM 0 H THR A 39 20.383 -6.937 -15.974 1.00 0.00 H new ATOM 0 HA THR A 39 20.527 -9.588 -14.716 1.00 0.00 H new ATOM 0 HB THR A 39 19.624 -9.745 -17.062 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.090 -11.044 -17.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.174 -9.672 -18.927 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.893 -8.067 -18.211 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.407 -8.939 -17.873 1.00 0.00 H new ATOM 591 N ILE A 40 23.111 -9.554 -14.844 1.00 0.00 N ATOM 592 CA ILE A 40 24.478 -9.391 -14.326 1.00 0.00 C ATOM 593 C ILE A 40 25.448 -10.097 -15.268 1.00 0.00 C ATOM 594 O ILE A 40 25.323 -11.293 -15.519 1.00 0.00 O ATOM 595 CB ILE A 40 24.579 -9.966 -12.899 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.644 -9.208 -11.930 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.025 -9.931 -12.357 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.418 -9.972 -10.626 1.00 0.00 C ATOM 0 H ILE A 40 22.823 -10.531 -14.889 1.00 0.00 H new ATOM 0 HA ILE A 40 24.733 -8.332 -14.277 1.00 0.00 H new ATOM 0 HB ILE A 40 24.267 -11.008 -12.961 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.071 -8.230 -11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.685 -9.033 -12.417 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.046 -10.346 -11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.671 -10.522 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.379 -8.901 -12.332 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.755 -9.399 -9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.965 -10.939 -10.845 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.373 -10.124 -10.123 1.00 0.00 H new ATOM 610 N ASN A 41 26.448 -9.359 -15.741 1.00 0.00 N ATOM 611 CA ASN A 41 27.441 -9.815 -16.708 1.00 0.00 C ATOM 612 C ASN A 41 28.833 -9.654 -16.081 1.00 0.00 C ATOM 613 O ASN A 41 29.062 -8.667 -15.382 1.00 0.00 O ATOM 614 CB ASN A 41 27.293 -8.993 -18.008 1.00 0.00 C ATOM 615 CG ASN A 41 25.850 -8.794 -18.473 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.324 -9.541 -19.283 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.182 -7.771 -17.977 1.00 0.00 N ATOM 0 H ASN A 41 26.594 -8.392 -15.451 1.00 0.00 H new ATOM 0 HA ASN A 41 27.297 -10.865 -16.962 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.751 -8.015 -17.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.852 -9.489 -18.802 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.220 -7.600 -18.270 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.627 -7.151 -17.301 1.00 0.00 H new ATOM 624 N GLU A 42 29.774 -10.570 -16.323 1.00 0.00 N ATOM 625 CA GLU A 42 31.173 -10.374 -15.910 1.00 0.00 C ATOM 626 C GLU A 42 32.189 -10.665 -17.024 1.00 0.00 C ATOM 627 O GLU A 42 31.924 -11.476 -17.918 1.00 0.00 O ATOM 628 CB GLU A 42 31.469 -11.146 -14.610 1.00 0.00 C ATOM 629 CG GLU A 42 31.696 -12.645 -14.794 1.00 0.00 C ATOM 630 CD GLU A 42 33.134 -13.075 -15.106 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.092 -12.322 -14.833 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.260 -14.222 -15.585 1.00 0.00 O ATOM 0 H GLU A 42 29.597 -11.453 -16.801 1.00 0.00 H new ATOM 0 HA GLU A 42 31.298 -9.312 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.353 -10.714 -14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.638 -11.000 -13.920 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.375 -13.155 -13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.051 -12.993 -15.600 1.00 0.00 H new ATOM 639 N ARG A 43 33.358 -10.012 -16.954 1.00 0.00 N ATOM 640 CA ARG A 43 34.523 -10.310 -17.800 1.00 0.00 C ATOM 641 C ARG A 43 35.701 -10.770 -16.928 1.00 0.00 C ATOM 642 O ARG A 43 36.203 -9.956 -16.142 1.00 0.00 O ATOM 643 CB ARG A 43 34.874 -9.105 -18.688 1.00 0.00 C ATOM 644 CG ARG A 43 35.913 -9.477 -19.757 1.00 0.00 C ATOM 645 CD ARG A 43 36.258 -8.268 -20.635 1.00 0.00 C ATOM 646 NE ARG A 43 37.262 -8.621 -21.659 1.00 0.00 N ATOM 647 CZ ARG A 43 37.048 -9.080 -22.881 1.00 0.00 C ATOM 648 NH1 ARG A 43 35.848 -9.292 -23.349 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.051 -9.343 -23.668 1.00 0.00 N ATOM 0 H ARG A 43 33.523 -9.249 -16.297 1.00 0.00 H new ATOM 0 HA ARG A 43 34.281 -11.131 -18.475 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.971 -8.732 -19.171 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.261 -8.296 -18.069 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.817 -9.851 -19.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.526 -10.284 -20.379 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.355 -7.898 -21.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.639 -7.459 -20.011 1.00 0.00 H new ATOM 0 HE ARG A 43 38.238 -8.496 -21.392 1.00 0.00 H new ATOM 0 HH11 ARG A 43 35.033 -9.103 -22.766 1.00 0.00 H new ATOM 0 HH12 ARG A 43 35.726 -9.647 -24.297 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.007 -9.195 -23.343 1.00 0.00 H new ATOM 0 HH22 ARG A 43 37.881 -9.697 -24.610 1.00 0.00 H new ATOM 663 N PRO A 44 36.164 -12.024 -17.078 1.00 0.00 N ATOM 664 CA PRO A 44 37.231 -12.585 -16.262 1.00 0.00 C ATOM 665 C PRO A 44 38.595 -12.121 -16.792 1.00 0.00 C ATOM 666 O PRO A 44 38.940 -12.359 -17.954 1.00 0.00 O ATOM 667 CB PRO A 44 37.017 -14.101 -16.335 1.00 0.00 C ATOM 668 CG PRO A 44 36.417 -14.313 -17.722 1.00 0.00 C ATOM 669 CD PRO A 44 35.578 -13.056 -17.925 1.00 0.00 C ATOM 0 HA PRO A 44 37.214 -12.256 -15.223 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.955 -14.644 -16.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.345 -14.449 -15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.189 -14.411 -18.485 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.809 -15.216 -17.765 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.586 -12.750 -18.971 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.538 -13.236 -17.653 1.00 0.00 H new ATOM 677 N SER A 45 39.374 -11.454 -15.937 1.00 0.00 N ATOM 678 CA SER A 45 40.602 -10.748 -16.316 1.00 0.00 C ATOM 679 C SER A 45 41.681 -10.938 -15.246 1.00 0.00 C ATOM 680 O SER A 45 41.696 -10.251 -14.221 1.00 0.00 O ATOM 681 CB SER A 45 40.302 -9.255 -16.538 1.00 0.00 C ATOM 682 OG SER A 45 39.400 -9.068 -17.622 1.00 0.00 O ATOM 0 H SER A 45 39.165 -11.388 -14.941 1.00 0.00 H new ATOM 0 HA SER A 45 40.978 -11.167 -17.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.877 -8.828 -15.630 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.231 -8.720 -16.738 1.00 0.00 H new ATOM 0 HG SER A 45 39.225 -8.111 -17.741 1.00 0.00 H new ATOM 688 N ALA A 46 42.624 -11.853 -15.496 1.00 0.00 N ATOM 689 CA ALA A 46 43.621 -12.312 -14.518 1.00 0.00 C ATOM 690 C ALA A 46 44.612 -11.232 -14.029 1.00 0.00 C ATOM 691 O ALA A 46 45.312 -11.438 -13.034 1.00 0.00 O ATOM 692 CB ALA A 46 44.346 -13.525 -15.117 1.00 0.00 C ATOM 0 H ALA A 46 42.719 -12.307 -16.405 1.00 0.00 H new ATOM 0 HA ALA A 46 43.085 -12.584 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.093 -13.887 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.625 -14.317 -15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.836 -13.234 -16.046 1.00 0.00 H new ATOM 698 N ARG A 47 44.617 -10.052 -14.669 1.00 0.00 N ATOM 699 CA ARG A 47 45.263 -8.821 -14.173 1.00 0.00 C ATOM 700 C ARG A 47 44.836 -8.432 -12.747 1.00 0.00 C ATOM 701 O ARG A 47 45.637 -7.840 -12.022 1.00 0.00 O ATOM 702 CB ARG A 47 45.000 -7.669 -15.168 1.00 0.00 C ATOM 703 CG ARG A 47 43.520 -7.235 -15.237 1.00 0.00 C ATOM 704 CD ARG A 47 43.218 -6.284 -16.403 1.00 0.00 C ATOM 705 NE ARG A 47 43.819 -4.946 -16.206 1.00 0.00 N ATOM 706 CZ ARG A 47 43.706 -3.907 -17.018 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.041 -3.968 -18.138 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.265 -2.770 -16.715 1.00 0.00 N ATOM 0 H ARG A 47 44.160 -9.922 -15.571 1.00 0.00 H new ATOM 0 HA ARG A 47 46.333 -9.020 -14.109 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.609 -6.810 -14.885 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.326 -7.977 -16.161 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.893 -8.122 -15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.248 -6.748 -14.301 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.596 -6.717 -17.329 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.139 -6.182 -16.516 1.00 0.00 H new ATOM 0 HE ARG A 47 44.375 -4.811 -15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.586 -4.838 -18.414 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.976 -3.146 -18.738 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.794 -2.677 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.174 -1.973 -17.345 1.00 0.00 H new ATOM 722 N ALA A 48 43.591 -8.745 -12.354 1.00 0.00 N ATOM 723 CA ALA A 48 43.023 -8.344 -11.060 1.00 0.00 C ATOM 724 C ALA A 48 41.840 -9.194 -10.533 1.00 0.00 C ATOM 725 O ALA A 48 41.630 -9.214 -9.320 1.00 0.00 O ATOM 726 CB ALA A 48 42.595 -6.875 -11.192 1.00 0.00 C ATOM 0 H ALA A 48 42.947 -9.287 -12.930 1.00 0.00 H new ATOM 0 HA ALA A 48 43.802 -8.504 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.166 -6.535 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.464 -6.264 -11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 48 41.851 -6.782 -11.984 1.00 0.00 H new ATOM 732 N GLY A 49 41.056 -9.876 -11.384 1.00 0.00 N ATOM 733 CA GLY A 49 39.829 -10.580 -10.971 1.00 0.00 C ATOM 734 C GLY A 49 38.749 -10.587 -12.058 1.00 0.00 C ATOM 735 O GLY A 49 38.933 -11.214 -13.101 1.00 0.00 O ATOM 0 H GLY A 49 41.255 -9.955 -12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.078 -11.608 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.430 -10.108 -10.073 1.00 0.00 H new ATOM 739 N SER A 50 37.630 -9.894 -11.828 1.00 0.00 N ATOM 740 CA SER A 50 36.540 -9.743 -12.804 1.00 0.00 C ATOM 741 C SER A 50 36.020 -8.308 -12.908 1.00 0.00 C ATOM 742 O SER A 50 35.861 -7.608 -11.907 1.00 0.00 O ATOM 743 CB SER A 50 35.369 -10.689 -12.505 1.00 0.00 C ATOM 744 OG SER A 50 34.931 -10.596 -11.162 1.00 0.00 O ATOM 0 H SER A 50 37.451 -9.414 -10.946 1.00 0.00 H new ATOM 0 HA SER A 50 36.980 -10.009 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.539 -10.458 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.671 -11.715 -12.716 1.00 0.00 H new ATOM 0 HG SER A 50 34.184 -11.214 -11.018 1.00 0.00 H new ATOM 750 N TRP A 51 35.671 -7.883 -14.127 1.00 0.00 N ATOM 751 CA TRP A 51 34.759 -6.753 -14.314 1.00 0.00 C ATOM 752 C TRP A 51 33.336 -7.249 -14.095 1.00 0.00 C ATOM 753 O TRP A 51 32.978 -8.267 -14.674 1.00 0.00 O ATOM 754 CB TRP A 51 34.891 -6.164 -15.725 1.00 0.00 C ATOM 755 CG TRP A 51 35.720 -4.928 -15.831 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.943 -4.845 -16.397 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.385 -3.577 -15.391 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.398 -3.542 -16.327 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.471 -2.713 -15.726 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.270 -2.993 -14.746 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.456 -1.341 -15.435 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.249 -1.616 -14.448 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.334 -0.791 -14.793 1.00 0.00 C ATOM 0 H TRP A 51 36.005 -8.303 -14.994 1.00 0.00 H new ATOM 0 HA TRP A 51 35.007 -5.967 -13.601 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.319 -6.924 -16.378 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.892 -5.944 -16.103 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.483 -5.670 -16.837 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.305 -3.231 -16.676 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.425 -3.610 -14.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.296 -0.716 -15.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.391 -1.190 -13.950 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.305 0.264 -14.565 1.00 0.00 H new ATOM 774 N ILE A 52 32.522 -6.529 -13.328 1.00 0.00 N ATOM 775 CA ILE A 52 31.077 -6.751 -13.188 1.00 0.00 C ATOM 776 C ILE A 52 30.334 -5.604 -13.862 1.00 0.00 C ATOM 777 O ILE A 52 30.615 -4.442 -13.576 1.00 0.00 O ATOM 778 CB ILE A 52 30.672 -6.864 -11.703 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.461 -7.946 -10.939 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.161 -7.127 -11.564 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.352 -9.356 -11.528 1.00 0.00 C ATOM 0 H ILE A 52 32.857 -5.747 -12.766 1.00 0.00 H new ATOM 0 HA ILE A 52 30.812 -7.692 -13.669 1.00 0.00 H new ATOM 0 HB ILE A 52 30.921 -5.904 -11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.512 -7.659 -10.912 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.111 -7.970 -9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.900 -7.203 -10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.606 -6.306 -12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.906 -8.059 -12.068 1.00 0.00 H new ATOM 0 HD11 ILE A 52 31.939 -10.049 -10.925 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.308 -9.670 -11.529 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.731 -9.354 -12.550 1.00 0.00 H new ATOM 793 N THR A 53 29.353 -5.929 -14.703 1.00 0.00 N ATOM 794 CA THR A 53 28.554 -4.964 -15.471 1.00 0.00 C ATOM 795 C THR A 53 27.088 -5.376 -15.392 1.00 0.00 C ATOM 796 O THR A 53 26.696 -6.419 -15.917 1.00 0.00 O ATOM 797 CB THR A 53 29.036 -4.900 -16.936 1.00 0.00 C ATOM 798 OG1 THR A 53 30.430 -4.669 -16.977 1.00 0.00 O ATOM 799 CG2 THR A 53 28.394 -3.761 -17.730 1.00 0.00 C ATOM 0 H THR A 53 29.081 -6.897 -14.877 1.00 0.00 H new ATOM 0 HA THR A 53 28.673 -3.966 -15.049 1.00 0.00 H new ATOM 0 HB THR A 53 28.756 -5.856 -17.378 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.728 -4.631 -17.910 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.774 -3.770 -18.752 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.312 -3.892 -17.744 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.638 -2.808 -17.261 1.00 0.00 H new ATOM 807 N ILE A 54 26.262 -4.567 -14.732 1.00 0.00 N ATOM 808 CA ILE A 54 24.818 -4.801 -14.604 1.00 0.00 C ATOM 809 C ILE A 54 24.082 -3.995 -15.670 1.00 0.00 C ATOM 810 O ILE A 54 24.294 -2.788 -15.838 1.00 0.00 O ATOM 811 CB ILE A 54 24.334 -4.609 -13.146 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.809 -4.733 -12.930 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.871 -3.322 -12.507 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.954 -3.543 -13.389 1.00 0.00 C ATOM 0 H ILE A 54 26.577 -3.718 -14.263 1.00 0.00 H new ATOM 0 HA ILE A 54 24.576 -5.845 -14.804 1.00 0.00 H new ATOM 0 HB ILE A 54 24.770 -5.463 -12.628 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.462 -5.624 -13.452 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.627 -4.895 -11.868 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.499 -3.240 -11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.961 -3.349 -12.495 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.535 -2.461 -13.085 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.903 -3.749 -13.184 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.259 -2.646 -12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.092 -3.387 -14.459 1.00 0.00 H new ATOM 826 N THR A 55 23.213 -4.684 -16.405 1.00 0.00 N ATOM 827 CA THR A 55 22.438 -4.128 -17.516 1.00 0.00 C ATOM 828 C THR A 55 20.943 -4.167 -17.221 1.00 0.00 C ATOM 829 O THR A 55 20.439 -5.153 -16.690 1.00 0.00 O ATOM 830 CB THR A 55 22.755 -4.859 -18.831 1.00 0.00 C ATOM 831 OG1 THR A 55 22.706 -6.258 -18.658 1.00 0.00 O ATOM 832 CG2 THR A 55 24.164 -4.567 -19.329 1.00 0.00 C ATOM 0 H THR A 55 23.022 -5.672 -16.241 1.00 0.00 H new ATOM 0 HA THR A 55 22.729 -3.084 -17.631 1.00 0.00 H new ATOM 0 HB THR A 55 22.008 -4.505 -19.541 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.910 -6.700 -19.509 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.340 -5.106 -20.260 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.274 -3.497 -19.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.888 -4.889 -18.581 1.00 0.00 H new ATOM 840 N VAL A 56 20.218 -3.103 -17.579 1.00 0.00 N ATOM 841 CA VAL A 56 18.745 -3.065 -17.600 1.00 0.00 C ATOM 842 C VAL A 56 18.287 -3.302 -19.033 1.00 0.00 C ATOM 843 O VAL A 56 18.603 -2.521 -19.927 1.00 0.00 O ATOM 844 CB VAL A 56 18.202 -1.764 -16.966 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.744 -1.456 -17.324 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.258 -1.941 -15.447 1.00 0.00 C ATOM 0 H VAL A 56 20.644 -2.223 -17.869 1.00 0.00 H new ATOM 0 HA VAL A 56 18.328 -3.858 -16.980 1.00 0.00 H new ATOM 0 HB VAL A 56 18.813 -0.944 -17.344 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.439 -0.528 -16.840 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.649 -1.350 -18.405 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.105 -2.270 -16.982 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.882 -1.040 -14.962 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.643 -2.793 -15.157 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.289 -2.115 -15.139 1.00 0.00 H new ATOM 856 N ASN A 57 17.586 -4.417 -19.247 1.00 0.00 N ATOM 857 CA ASN A 57 17.212 -5.018 -20.539 1.00 0.00 C ATOM 858 C ASN A 57 18.410 -5.295 -21.475 1.00 0.00 C ATOM 859 O ASN A 57 18.795 -6.447 -21.671 1.00 0.00 O ATOM 860 CB ASN A 57 16.094 -4.205 -21.219 1.00 0.00 C ATOM 861 CG ASN A 57 14.824 -4.143 -20.388 1.00 0.00 C ATOM 862 OD1 ASN A 57 14.123 -5.128 -20.205 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.496 -2.989 -19.855 1.00 0.00 N ATOM 0 H ASN A 57 17.236 -4.970 -18.464 1.00 0.00 H new ATOM 0 HA ASN A 57 16.815 -6.008 -20.316 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.450 -3.192 -21.407 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.867 -4.648 -22.189 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.653 -2.911 -19.285 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.084 -2.170 -20.010 1.00 0.00 H new ATOM 870 N GLN A 58 18.993 -4.233 -22.039 1.00 0.00 N ATOM 871 CA GLN A 58 20.118 -4.252 -22.984 1.00 0.00 C ATOM 872 C GLN A 58 21.123 -3.094 -22.780 1.00 0.00 C ATOM 873 O GLN A 58 22.034 -2.914 -23.589 1.00 0.00 O ATOM 874 CB GLN A 58 19.557 -4.287 -24.420 1.00 0.00 C ATOM 875 CG GLN A 58 18.661 -3.084 -24.768 1.00 0.00 C ATOM 876 CD GLN A 58 18.270 -3.076 -26.245 1.00 0.00 C ATOM 877 OE1 GLN A 58 17.191 -3.508 -26.635 1.00 0.00 O ATOM 878 NE2 GLN A 58 19.126 -2.600 -27.128 1.00 0.00 N ATOM 0 H GLN A 58 18.677 -3.284 -21.839 1.00 0.00 H new ATOM 0 HA GLN A 58 20.702 -5.152 -22.794 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.388 -4.324 -25.124 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.985 -5.205 -24.554 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.761 -3.112 -24.154 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.184 -2.159 -24.525 1.00 0.00 H new ATOM 0 HE21 GLN A 58 20.028 -2.237 -26.820 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.886 -2.595 -28.119 1.00 0.00 H new ATOM 887 N ASP A 59 20.970 -2.301 -21.711 1.00 0.00 N ATOM 888 CA ASP A 59 21.741 -1.070 -21.459 1.00 0.00 C ATOM 889 C ASP A 59 22.523 -1.157 -20.145 1.00 0.00 C ATOM 890 O ASP A 59 21.938 -1.464 -19.107 1.00 0.00 O ATOM 891 CB ASP A 59 20.780 0.129 -21.417 1.00 0.00 C ATOM 892 CG ASP A 59 20.274 0.513 -22.816 1.00 0.00 C ATOM 893 OD1 ASP A 59 21.080 1.036 -23.623 1.00 0.00 O ATOM 894 OD2 ASP A 59 19.071 0.317 -23.109 1.00 0.00 O ATOM 0 H ASP A 59 20.290 -2.500 -20.977 1.00 0.00 H new ATOM 0 HA ASP A 59 22.462 -0.944 -22.267 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.930 -0.110 -20.778 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.286 0.983 -20.968 1.00 0.00 H new ATOM 899 N VAL A 60 23.833 -0.868 -20.146 1.00 0.00 N ATOM 900 CA VAL A 60 24.615 -0.804 -18.894 1.00 0.00 C ATOM 901 C VAL A 60 24.213 0.440 -18.102 1.00 0.00 C ATOM 902 O VAL A 60 24.149 1.542 -18.649 1.00 0.00 O ATOM 903 CB VAL A 60 26.150 -0.840 -19.105 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.895 -0.798 -17.764 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.609 -2.037 -19.938 1.00 0.00 C ATOM 0 H VAL A 60 24.373 -0.676 -20.990 1.00 0.00 H new ATOM 0 HA VAL A 60 24.376 -1.707 -18.332 1.00 0.00 H new ATOM 0 HB VAL A 60 26.400 0.056 -19.674 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.970 -0.825 -17.944 1.00 0.00 H new ATOM 0 HG12 VAL A 60 26.638 0.119 -17.234 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.607 -1.659 -17.161 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.693 -2.007 -20.051 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.322 -2.961 -19.436 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.140 -1.997 -20.921 1.00 0.00 H new ATOM 915 N ILE A 61 23.992 0.255 -16.798 1.00 0.00 N ATOM 916 CA ILE A 61 23.696 1.342 -15.852 1.00 0.00 C ATOM 917 C ILE A 61 24.710 1.450 -14.711 1.00 0.00 C ATOM 918 O ILE A 61 24.906 2.540 -14.178 1.00 0.00 O ATOM 919 CB ILE A 61 22.274 1.207 -15.281 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.908 -0.225 -14.854 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.254 1.767 -16.278 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.765 -0.220 -13.841 1.00 0.00 C ATOM 0 H ILE A 61 24.013 -0.666 -16.360 1.00 0.00 H new ATOM 0 HA ILE A 61 23.770 2.264 -16.429 1.00 0.00 H new ATOM 0 HB ILE A 61 22.248 1.795 -14.364 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.620 -0.807 -15.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.781 -0.713 -14.420 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.250 1.667 -15.866 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.467 2.820 -16.464 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.318 1.213 -17.214 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.527 -1.245 -13.556 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.065 0.342 -12.957 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.886 0.247 -14.286 1.00 0.00 H new ATOM 934 N PHE A 62 25.369 0.345 -14.350 1.00 0.00 N ATOM 935 CA PHE A 62 26.438 0.342 -13.358 1.00 0.00 C ATOM 936 C PHE A 62 27.456 -0.757 -13.668 1.00 0.00 C ATOM 937 O PHE A 62 27.109 -1.820 -14.183 1.00 0.00 O ATOM 938 CB PHE A 62 25.837 0.226 -11.943 1.00 0.00 C ATOM 939 CG PHE A 62 26.869 -0.011 -10.850 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.016 -1.280 -10.251 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.749 1.028 -10.495 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.055 -1.514 -9.329 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.775 0.797 -9.563 1.00 0.00 C ATOM 944 CZ PHE A 62 28.928 -0.472 -8.982 1.00 0.00 C ATOM 0 H PHE A 62 25.172 -0.576 -14.742 1.00 0.00 H new ATOM 0 HA PHE A 62 26.983 1.285 -13.400 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.287 1.139 -11.717 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.116 -0.592 -11.931 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.329 -2.075 -10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.636 2.006 -10.940 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.179 -2.493 -8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.448 1.598 -9.293 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.719 -0.646 -8.267 1.00 0.00 H new ATOM 954 N GLN A 63 28.721 -0.487 -13.361 1.00 0.00 N ATOM 955 CA GLN A 63 29.810 -1.454 -13.488 1.00 0.00 C ATOM 956 C GLN A 63 30.960 -1.151 -12.513 1.00 0.00 C ATOM 957 O GLN A 63 31.242 0.009 -12.211 1.00 0.00 O ATOM 958 CB GLN A 63 30.277 -1.544 -14.955 1.00 0.00 C ATOM 959 CG GLN A 63 30.833 -0.243 -15.554 1.00 0.00 C ATOM 960 CD GLN A 63 31.209 -0.419 -17.026 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.601 0.152 -17.921 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.212 -1.213 -17.337 1.00 0.00 N ATOM 0 H GLN A 63 29.024 0.422 -13.012 1.00 0.00 H new ATOM 0 HA GLN A 63 29.434 -2.437 -13.205 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.045 -2.314 -15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.437 -1.874 -15.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.090 0.549 -15.459 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.710 0.073 -14.989 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.728 -1.695 -16.601 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.473 -1.346 -18.314 1.00 0.00 H new ATOM 971 N THR A 64 31.624 -2.199 -12.022 1.00 0.00 N ATOM 972 CA THR A 64 32.722 -2.118 -11.041 1.00 0.00 C ATOM 973 C THR A 64 33.666 -3.322 -11.142 1.00 0.00 C ATOM 974 O THR A 64 33.314 -4.344 -11.732 1.00 0.00 O ATOM 975 CB THR A 64 32.148 -1.980 -9.621 1.00 0.00 C ATOM 976 OG1 THR A 64 33.190 -1.712 -8.707 1.00 0.00 O ATOM 977 CG2 THR A 64 31.383 -3.216 -9.140 1.00 0.00 C ATOM 0 H THR A 64 31.411 -3.157 -12.300 1.00 0.00 H new ATOM 0 HA THR A 64 33.315 -1.232 -11.268 1.00 0.00 H new ATOM 0 HB THR A 64 31.435 -1.156 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.819 -1.623 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.009 -3.042 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.545 -3.409 -9.810 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.050 -4.078 -9.136 1.00 0.00 H new ATOM 985 N PHE A 65 34.864 -3.221 -10.568 1.00 0.00 N ATOM 986 CA PHE A 65 35.856 -4.298 -10.553 1.00 0.00 C ATOM 987 C PHE A 65 35.791 -5.097 -9.237 1.00 0.00 C ATOM 988 O PHE A 65 35.821 -4.515 -8.148 1.00 0.00 O ATOM 989 CB PHE A 65 37.252 -3.718 -10.831 1.00 0.00 C ATOM 990 CG PHE A 65 38.105 -4.626 -11.692 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.390 -4.275 -13.025 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.567 -5.851 -11.182 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.115 -5.155 -13.847 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.253 -6.746 -12.016 1.00 0.00 C ATOM 995 CZ PHE A 65 39.527 -6.402 -13.352 1.00 0.00 C ATOM 0 H PHE A 65 35.179 -2.375 -10.092 1.00 0.00 H new ATOM 0 HA PHE A 65 35.630 -5.010 -11.347 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.147 -2.751 -11.324 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.761 -3.540 -9.884 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.051 -3.328 -13.417 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.394 -6.104 -10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.355 -4.871 -14.861 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.572 -7.703 -11.631 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.052 -7.094 -13.994 1.00 0.00 H new ATOM 1005 N LEU A 66 35.722 -6.429 -9.330 1.00 0.00 N ATOM 1006 CA LEU A 66 35.821 -7.360 -8.203 1.00 0.00 C ATOM 1007 C LEU A 66 37.214 -8.000 -8.098 1.00 0.00 C ATOM 1008 O LEU A 66 37.826 -8.365 -9.104 1.00 0.00 O ATOM 1009 CB LEU A 66 34.750 -8.454 -8.317 1.00 0.00 C ATOM 1010 CG LEU A 66 33.354 -8.112 -7.793 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.501 -9.368 -7.948 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.332 -7.754 -6.305 1.00 0.00 C ATOM 0 H LEU A 66 35.591 -6.904 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 66 35.655 -6.781 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.660 -8.732 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.107 -9.335 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 66 32.994 -7.249 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.492 -9.170 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.459 -9.652 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.941 -10.180 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.311 -7.523 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.702 -8.598 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 66 33.968 -6.886 -6.130 1.00 0.00 H new ATOM 1024 N PHE A 67 37.664 -8.205 -6.857 1.00 0.00 N ATOM 1025 CA PHE A 67 38.986 -8.759 -6.523 1.00 0.00 C ATOM 1026 C PHE A 67 38.862 -10.023 -5.640 1.00 0.00 C ATOM 1027 O PHE A 67 38.191 -9.971 -4.607 1.00 0.00 O ATOM 1028 CB PHE A 67 39.825 -7.673 -5.824 1.00 0.00 C ATOM 1029 CG PHE A 67 40.033 -6.396 -6.623 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.195 -6.223 -7.399 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.075 -5.362 -6.571 1.00 0.00 C ATOM 1032 CE1 PHE A 67 41.397 -5.027 -8.113 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.267 -4.177 -7.303 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.429 -4.009 -8.075 1.00 0.00 C ATOM 0 H PHE A 67 37.106 -7.985 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 67 39.486 -9.064 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.344 -7.417 -4.880 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.801 -8.092 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.933 -7.010 -7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.189 -5.481 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.299 -4.891 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.522 -3.396 -7.272 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.578 -3.099 -8.638 1.00 0.00 H new ATOM 1044 N PRO A 68 39.501 -11.158 -6.002 1.00 0.00 N ATOM 1045 CA PRO A 68 39.370 -12.438 -5.288 1.00 0.00 C ATOM 1046 C PRO A 68 40.243 -12.535 -4.020 1.00 0.00 C ATOM 1047 O PRO A 68 39.890 -13.256 -3.086 1.00 0.00 O ATOM 1048 CB PRO A 68 39.776 -13.496 -6.320 1.00 0.00 C ATOM 1049 CG PRO A 68 40.825 -12.761 -7.153 1.00 0.00 C ATOM 1050 CD PRO A 68 40.256 -11.356 -7.231 1.00 0.00 C ATOM 0 HA PRO A 68 38.354 -12.567 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.186 -14.388 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.929 -13.818 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.805 -12.776 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.944 -13.206 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.052 -10.617 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.615 -11.243 -8.105 1.00 0.00 H new ATOM 1058 N LEU A 69 41.374 -11.812 -3.974 1.00 0.00 N ATOM 1059 CA LEU A 69 42.314 -11.807 -2.836 1.00 0.00 C ATOM 1060 C LEU A 69 41.900 -10.828 -1.717 1.00 0.00 C ATOM 1061 O LEU A 69 42.468 -10.861 -0.621 1.00 0.00 O ATOM 1062 CB LEU A 69 43.734 -11.481 -3.346 1.00 0.00 C ATOM 1063 CG LEU A 69 44.329 -12.468 -4.371 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.722 -11.997 -4.787 1.00 0.00 C ATOM 1065 CD2 LEU A 69 44.447 -13.891 -3.820 1.00 0.00 C ATOM 0 H LEU A 69 41.668 -11.204 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 69 42.296 -12.802 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.718 -10.488 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.404 -11.432 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 69 43.648 -12.489 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 69 46.141 -12.696 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.652 -11.007 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 69 46.368 -11.953 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 69 44.872 -14.543 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.095 -13.889 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 43.459 -14.256 -3.540 1.00 0.00 H new ATOM 1077 N LYS A 70 40.926 -9.953 -1.998 1.00 0.00 N ATOM 1078 CA LYS A 70 40.449 -8.873 -1.110 1.00 0.00 C ATOM 1079 C LYS A 70 39.063 -9.191 -0.523 1.00 0.00 C ATOM 1080 O LYS A 70 38.262 -9.888 -1.145 1.00 0.00 O ATOM 1081 CB LYS A 70 40.490 -7.558 -1.913 1.00 0.00 C ATOM 1082 CG LYS A 70 40.396 -6.285 -1.057 1.00 0.00 C ATOM 1083 CD LYS A 70 40.450 -5.044 -1.958 1.00 0.00 C ATOM 1084 CE LYS A 70 40.241 -3.760 -1.140 1.00 0.00 C ATOM 1085 NZ LYS A 70 39.757 -2.648 -2.003 1.00 0.00 N ATOM 0 H LYS A 70 40.425 -9.975 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 70 41.097 -8.774 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.416 -7.527 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.669 -7.560 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.469 -6.289 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.215 -6.259 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.412 -5.002 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 70 39.683 -5.117 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 70 39.521 -3.946 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 70 41.178 -3.473 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 39.737 -1.765 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 40.396 -2.536 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 38.799 -2.865 -2.344 1.00 0.00 H new ATOM 1099 N ARG A 71 38.762 -8.652 0.669 1.00 0.00 N ATOM 1100 CA ARG A 71 37.515 -8.906 1.433 1.00 0.00 C ATOM 1101 C ARG A 71 36.448 -7.808 1.284 1.00 0.00 C ATOM 1102 O ARG A 71 35.548 -7.692 2.115 1.00 0.00 O ATOM 1103 CB ARG A 71 37.853 -9.249 2.901 1.00 0.00 C ATOM 1104 CG ARG A 71 38.783 -10.473 3.004 1.00 0.00 C ATOM 1105 CD ARG A 71 38.970 -10.951 4.450 1.00 0.00 C ATOM 1106 NE ARG A 71 37.755 -11.609 4.979 1.00 0.00 N ATOM 1107 CZ ARG A 71 37.602 -12.127 6.187 1.00 0.00 C ATOM 1108 NH1 ARG A 71 38.546 -12.084 7.084 1.00 0.00 N ATOM 1109 NH2 ARG A 71 36.484 -12.706 6.519 1.00 0.00 N ATOM 0 H ARG A 71 39.392 -8.008 1.147 1.00 0.00 H new ATOM 0 HA ARG A 71 37.035 -9.777 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.329 -8.390 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.932 -9.445 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.374 -11.287 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.755 -10.223 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 71 39.808 -11.647 4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.226 -10.101 5.082 1.00 0.00 H new ATOM 0 HE ARG A 71 36.955 -11.669 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 71 39.438 -11.641 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 71 38.393 -12.494 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 71 35.719 -12.762 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 71 36.373 -13.103 7.452 1.00 0.00 H new ATOM 1123 N ASP A 72 36.525 -7.006 0.220 1.00 0.00 N ATOM 1124 CA ASP A 72 35.536 -5.962 -0.103 1.00 0.00 C ATOM 1125 C ASP A 72 34.349 -6.448 -0.954 1.00 0.00 C ATOM 1126 O ASP A 72 33.377 -5.711 -1.091 1.00 0.00 O ATOM 1127 CB ASP A 72 36.212 -4.705 -0.679 1.00 0.00 C ATOM 1128 CG ASP A 72 36.797 -4.828 -2.098 1.00 0.00 C ATOM 1129 OD1 ASP A 72 36.843 -5.944 -2.668 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.266 -3.785 -2.620 1.00 0.00 O ATOM 0 H ASP A 72 37.287 -7.060 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 72 35.081 -5.684 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.482 -3.895 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.015 -4.410 -0.004 1.00 0.00 H new ATOM 1135 N PHE A 73 34.366 -7.696 -1.445 1.00 0.00 N ATOM 1136 CA PHE A 73 33.301 -8.301 -2.266 1.00 0.00 C ATOM 1137 C PHE A 73 31.895 -8.089 -1.684 1.00 0.00 C ATOM 1138 O PHE A 73 31.001 -7.640 -2.396 1.00 0.00 O ATOM 1139 CB PHE A 73 33.622 -9.799 -2.457 1.00 0.00 C ATOM 1140 CG PHE A 73 32.477 -10.650 -2.988 1.00 0.00 C ATOM 1141 CD1 PHE A 73 31.489 -11.137 -2.107 1.00 0.00 C ATOM 1142 CD2 PHE A 73 32.397 -10.959 -4.358 1.00 0.00 C ATOM 1143 CE1 PHE A 73 30.401 -11.874 -2.602 1.00 0.00 C ATOM 1144 CE2 PHE A 73 31.315 -11.708 -4.855 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.309 -12.147 -3.975 1.00 0.00 C ATOM 0 H PHE A 73 35.144 -8.334 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 73 33.283 -7.798 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.466 -9.888 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.943 -10.209 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 73 31.570 -10.942 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 73 33.170 -10.620 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 73 29.637 -12.230 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 73 31.257 -11.945 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.462 -12.697 -4.358 1.00 0.00 H new ATOM 1155 N GLU A 74 31.700 -8.336 -0.383 1.00 0.00 N ATOM 1156 CA GLU A 74 30.382 -8.198 0.264 1.00 0.00 C ATOM 1157 C GLU A 74 29.880 -6.750 0.217 1.00 0.00 C ATOM 1158 O GLU A 74 28.719 -6.479 -0.093 1.00 0.00 O ATOM 1159 CB GLU A 74 30.499 -8.671 1.720 1.00 0.00 C ATOM 1160 CG GLU A 74 29.132 -8.976 2.339 1.00 0.00 C ATOM 1161 CD GLU A 74 29.286 -9.453 3.797 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.169 -10.676 4.058 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.524 -8.606 4.694 1.00 0.00 O ATOM 0 H GLU A 74 32.442 -8.635 0.250 1.00 0.00 H new ATOM 0 HA GLU A 74 29.658 -8.809 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.122 -9.564 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 74 31.001 -7.904 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.506 -8.084 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.625 -9.742 1.753 1.00 0.00 H new ATOM 1170 N LYS A 75 30.797 -5.807 0.451 1.00 0.00 N ATOM 1171 CA LYS A 75 30.520 -4.368 0.438 1.00 0.00 C ATOM 1172 C LYS A 75 30.232 -3.891 -0.986 1.00 0.00 C ATOM 1173 O LYS A 75 29.237 -3.206 -1.205 1.00 0.00 O ATOM 1174 CB LYS A 75 31.665 -3.591 1.124 1.00 0.00 C ATOM 1175 CG LYS A 75 31.873 -4.039 2.587 1.00 0.00 C ATOM 1176 CD LYS A 75 33.041 -5.031 2.759 1.00 0.00 C ATOM 1177 CE LYS A 75 32.905 -5.826 4.066 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.152 -6.581 4.390 1.00 0.00 N ATOM 0 H LYS A 75 31.771 -6.027 0.659 1.00 0.00 H new ATOM 0 HA LYS A 75 29.620 -4.166 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.589 -3.738 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.444 -2.524 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.056 -3.161 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.956 -4.501 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.066 -5.718 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.986 -4.488 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.671 -5.144 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.070 -6.522 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.922 -7.378 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.577 -6.942 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.827 -5.949 4.866 1.00 0.00 H new ATOM 1192 N THR A 76 31.001 -4.356 -1.972 1.00 0.00 N ATOM 1193 CA THR A 76 30.758 -4.127 -3.408 1.00 0.00 C ATOM 1194 C THR A 76 29.404 -4.681 -3.864 1.00 0.00 C ATOM 1195 O THR A 76 28.688 -3.992 -4.586 1.00 0.00 O ATOM 1196 CB THR A 76 31.911 -4.712 -4.243 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.099 -4.030 -3.894 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.728 -4.540 -5.754 1.00 0.00 C ATOM 0 H THR A 76 31.834 -4.918 -1.795 1.00 0.00 H new ATOM 0 HA THR A 76 30.722 -3.050 -3.569 1.00 0.00 H new ATOM 0 HB THR A 76 31.942 -5.780 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.433 -4.371 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.580 -4.977 -6.276 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.813 -5.042 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.661 -3.479 -5.994 1.00 0.00 H new ATOM 1206 N VAL A 77 28.989 -5.865 -3.392 1.00 0.00 N ATOM 1207 CA VAL A 77 27.650 -6.428 -3.660 1.00 0.00 C ATOM 1208 C VAL A 77 26.564 -5.512 -3.101 1.00 0.00 C ATOM 1209 O VAL A 77 25.697 -5.085 -3.857 1.00 0.00 O ATOM 1210 CB VAL A 77 27.505 -7.864 -3.106 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.047 -8.343 -3.076 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.284 -8.864 -3.964 1.00 0.00 C ATOM 0 H VAL A 77 29.573 -6.465 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 77 27.529 -6.490 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 77 27.897 -7.823 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.005 -9.357 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.459 -7.680 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.640 -8.333 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.165 -9.866 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.902 -8.843 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.340 -8.596 -3.967 1.00 0.00 H new ATOM 1222 N VAL A 78 26.622 -5.153 -1.812 1.00 0.00 N ATOM 1223 CA VAL A 78 25.597 -4.305 -1.167 1.00 0.00 C ATOM 1224 C VAL A 78 25.540 -2.919 -1.814 1.00 0.00 C ATOM 1225 O VAL A 78 24.461 -2.384 -2.061 1.00 0.00 O ATOM 1226 CB VAL A 78 25.848 -4.207 0.352 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.917 -3.209 1.054 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.620 -5.572 1.014 1.00 0.00 C ATOM 0 H VAL A 78 27.375 -5.438 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 78 24.625 -4.775 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 78 26.878 -3.867 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.144 -3.187 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.064 -2.215 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.881 -3.515 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.800 -5.491 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.593 -5.893 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.305 -6.303 0.585 1.00 0.00 H new ATOM 1238 N ALA A 79 26.695 -2.362 -2.177 1.00 0.00 N ATOM 1239 CA ALA A 79 26.795 -1.056 -2.817 1.00 0.00 C ATOM 1240 C ALA A 79 26.272 -1.076 -4.260 1.00 0.00 C ATOM 1241 O ALA A 79 25.719 -0.082 -4.728 1.00 0.00 O ATOM 1242 CB ALA A 79 28.261 -0.630 -2.741 1.00 0.00 C ATOM 0 H ALA A 79 27.598 -2.813 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 79 26.164 -0.333 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.381 0.346 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.569 -0.571 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.880 -1.361 -3.261 1.00 0.00 H new ATOM 1248 N ALA A 80 26.404 -2.188 -4.986 1.00 0.00 N ATOM 1249 CA ALA A 80 25.849 -2.328 -6.332 1.00 0.00 C ATOM 1250 C ALA A 80 24.314 -2.288 -6.335 1.00 0.00 C ATOM 1251 O ALA A 80 23.729 -1.825 -7.309 1.00 0.00 O ATOM 1252 CB ALA A 80 26.369 -3.630 -6.946 1.00 0.00 C ATOM 0 H ALA A 80 26.899 -3.017 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 80 26.175 -1.480 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.962 -3.746 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.457 -3.599 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.058 -4.473 -6.329 1.00 0.00 H new ATOM 1258 N LEU A 81 23.655 -2.685 -5.240 1.00 0.00 N ATOM 1259 CA LEU A 81 22.188 -2.633 -5.118 1.00 0.00 C ATOM 1260 C LEU A 81 21.702 -1.176 -5.203 1.00 0.00 C ATOM 1261 O LEU A 81 20.832 -0.838 -6.005 1.00 0.00 O ATOM 1262 CB LEU A 81 21.724 -3.263 -3.784 1.00 0.00 C ATOM 1263 CG LEU A 81 22.301 -4.640 -3.418 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.901 -5.014 -1.995 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.850 -5.763 -4.345 1.00 0.00 C ATOM 0 H LEU A 81 24.122 -3.052 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 81 21.757 -3.205 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.969 -2.569 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.638 -3.348 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 81 23.382 -4.540 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.315 -5.991 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.288 -4.268 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.814 -5.050 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.298 -6.703 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.764 -5.849 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.165 -5.542 -5.365 1.00 0.00 H new ATOM 1277 N ILE A 82 22.343 -0.295 -4.424 1.00 0.00 N ATOM 1278 CA ILE A 82 22.048 1.146 -4.382 1.00 0.00 C ATOM 1279 C ILE A 82 22.456 1.806 -5.705 1.00 0.00 C ATOM 1280 O ILE A 82 21.675 2.533 -6.309 1.00 0.00 O ATOM 1281 CB ILE A 82 22.737 1.805 -3.159 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.283 1.134 -1.837 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.434 3.316 -3.124 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.034 1.618 -0.589 1.00 0.00 C ATOM 0 H ILE A 82 23.096 -0.568 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 82 20.975 1.292 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 82 23.813 1.664 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.217 1.317 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.412 0.056 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.924 3.765 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.806 3.783 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.357 3.470 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.653 1.097 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.098 1.410 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.885 2.691 -0.468 1.00 0.00 H new ATOM 1296 N GLN A 83 23.657 1.510 -6.212 1.00 0.00 N ATOM 1297 CA GLN A 83 24.176 2.128 -7.443 1.00 0.00 C ATOM 1298 C GLN A 83 23.393 1.707 -8.702 1.00 0.00 C ATOM 1299 O GLN A 83 23.306 2.477 -9.658 1.00 0.00 O ATOM 1300 CB GLN A 83 25.673 1.818 -7.581 1.00 0.00 C ATOM 1301 CG GLN A 83 26.482 2.556 -6.502 1.00 0.00 C ATOM 1302 CD GLN A 83 27.943 2.123 -6.468 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.217 0.934 -5.969 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.851 2.839 -6.865 1.00 0.00 N flip ATOM 0 H GLN A 83 24.296 0.839 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 83 24.038 3.206 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.837 0.744 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.021 2.115 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.429 3.629 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.030 2.375 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.643 3.760 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.817 2.516 -6.810 1.00 0.00 H new ATOM 1313 N THR A 84 22.756 0.533 -8.678 1.00 0.00 N ATOM 1314 CA THR A 84 21.812 0.097 -9.717 1.00 0.00 C ATOM 1315 C THR A 84 20.576 0.994 -9.750 1.00 0.00 C ATOM 1316 O THR A 84 20.212 1.481 -10.818 1.00 0.00 O ATOM 1317 CB THR A 84 21.404 -1.367 -9.507 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.532 -2.191 -9.679 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.387 -1.871 -10.515 1.00 0.00 C ATOM 0 H THR A 84 22.881 -0.150 -7.931 1.00 0.00 H new ATOM 0 HA THR A 84 22.318 0.179 -10.679 1.00 0.00 H new ATOM 0 HB THR A 84 20.973 -1.407 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.210 -1.961 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.149 -2.913 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.480 -1.270 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.801 -1.792 -11.520 1.00 0.00 H new ATOM 1327 N GLU A 85 19.942 1.279 -8.605 1.00 0.00 N ATOM 1328 CA GLU A 85 18.772 2.168 -8.609 1.00 0.00 C ATOM 1329 C GLU A 85 19.160 3.639 -8.808 1.00 0.00 C ATOM 1330 O GLU A 85 18.394 4.388 -9.406 1.00 0.00 O ATOM 1331 CB GLU A 85 17.877 1.970 -7.377 1.00 0.00 C ATOM 1332 CG GLU A 85 18.479 2.416 -6.040 1.00 0.00 C ATOM 1333 CD GLU A 85 17.370 2.668 -5.000 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.730 3.749 -5.057 1.00 0.00 O ATOM 1335 OE2 GLU A 85 17.144 1.803 -4.119 1.00 0.00 O ATOM 0 H GLU A 85 20.209 0.919 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 85 18.175 1.880 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.946 2.515 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.619 0.913 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.164 1.652 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.063 3.325 -6.184 1.00 0.00 H new ATOM 1342 N GLU A 86 20.342 4.082 -8.377 1.00 0.00 N ATOM 1343 CA GLU A 86 20.806 5.470 -8.552 1.00 0.00 C ATOM 1344 C GLU A 86 20.913 5.891 -10.026 1.00 0.00 C ATOM 1345 O GLU A 86 20.663 7.051 -10.352 1.00 0.00 O ATOM 1346 CB GLU A 86 22.154 5.666 -7.849 1.00 0.00 C ATOM 1347 CG GLU A 86 21.987 5.781 -6.330 1.00 0.00 C ATOM 1348 CD GLU A 86 21.700 7.235 -5.909 1.00 0.00 C ATOM 1349 OE1 GLU A 86 20.611 7.762 -6.243 1.00 0.00 O ATOM 1350 OE2 GLU A 86 22.558 7.863 -5.243 1.00 0.00 O ATOM 0 H GLU A 86 21.014 3.487 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 86 20.052 6.112 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.811 4.828 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.637 6.565 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.171 5.137 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.891 5.428 -5.834 1.00 0.00 H new ATOM 1357 N ALA A 87 21.184 4.942 -10.930 1.00 0.00 N ATOM 1358 CA ALA A 87 21.113 5.172 -12.373 1.00 0.00 C ATOM 1359 C ALA A 87 19.681 5.473 -12.841 1.00 0.00 C ATOM 1360 O ALA A 87 19.472 6.331 -13.691 1.00 0.00 O ATOM 1361 CB ALA A 87 21.641 3.924 -13.083 1.00 0.00 C ATOM 0 H ALA A 87 21.459 3.992 -10.678 1.00 0.00 H new ATOM 0 HA ALA A 87 21.718 6.045 -12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.597 4.073 -14.162 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.673 3.744 -12.783 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.029 3.064 -12.811 1.00 0.00 H new ATOM 1367 N LEU A 88 18.689 4.765 -12.287 1.00 0.00 N ATOM 1368 CA LEU A 88 17.277 4.832 -12.689 1.00 0.00 C ATOM 1369 C LEU A 88 16.508 5.941 -11.957 1.00 0.00 C ATOM 1370 O LEU A 88 15.496 6.435 -12.457 1.00 0.00 O ATOM 1371 CB LEU A 88 16.631 3.451 -12.459 1.00 0.00 C ATOM 1372 CG LEU A 88 17.365 2.242 -13.069 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.534 0.997 -12.838 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.586 2.397 -14.569 1.00 0.00 C ATOM 0 H LEU A 88 18.851 4.109 -11.523 1.00 0.00 H new ATOM 0 HA LEU A 88 17.229 5.089 -13.747 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.542 3.290 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.619 3.476 -12.863 1.00 0.00 H new ATOM 0 HG LEU A 88 18.340 2.170 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.044 0.134 -13.266 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.398 0.844 -11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.561 1.116 -13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.107 1.520 -14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.623 2.495 -15.070 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.186 3.287 -14.758 1.00 0.00 H new ATOM 1386 N ASN A 89 17.021 6.382 -10.809 1.00 0.00 N ATOM 1387 CA ASN A 89 16.449 7.422 -9.945 1.00 0.00 C ATOM 1388 C ASN A 89 16.320 8.787 -10.637 1.00 0.00 C ATOM 1389 O ASN A 89 15.407 9.537 -10.311 1.00 0.00 O ATOM 1390 CB ASN A 89 17.282 7.498 -8.647 1.00 0.00 C ATOM 1391 CG ASN A 89 16.640 6.776 -7.479 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.719 7.258 -6.837 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.129 5.606 -7.179 1.00 0.00 N ATOM 0 H ASN A 89 17.892 6.006 -10.434 1.00 0.00 H new ATOM 0 HA ASN A 89 15.423 7.143 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.268 7.072 -8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.432 8.544 -8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.743 5.077 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.898 5.219 -7.726 1.00 0.00 H new ATOM 1400 N ARG A 90 17.164 9.084 -11.636 1.00 0.00 N ATOM 1401 CA ARG A 90 17.084 10.302 -12.479 1.00 0.00 C ATOM 1402 C ARG A 90 16.541 10.047 -13.904 1.00 0.00 C ATOM 1403 O ARG A 90 16.395 10.984 -14.686 1.00 0.00 O ATOM 1404 CB ARG A 90 18.459 11.003 -12.437 1.00 0.00 C ATOM 1405 CG ARG A 90 18.362 12.521 -12.660 1.00 0.00 C ATOM 1406 CD ARG A 90 19.726 13.192 -12.464 1.00 0.00 C ATOM 1407 NE ARG A 90 19.615 14.665 -12.517 1.00 0.00 N ATOM 1408 CZ ARG A 90 19.631 15.445 -13.586 1.00 0.00 C ATOM 1409 NH1 ARG A 90 19.751 14.971 -14.796 1.00 0.00 N ATOM 1410 NH2 ARG A 90 19.522 16.735 -13.455 1.00 0.00 N ATOM 0 H ARG A 90 17.941 8.475 -11.892 1.00 0.00 H new ATOM 0 HA ARG A 90 16.333 10.975 -12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.930 10.812 -11.473 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.106 10.569 -13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.995 12.722 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.639 12.949 -11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.146 12.892 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.416 12.850 -13.235 1.00 0.00 H new ATOM 0 HE ARG A 90 19.514 15.139 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.837 13.965 -14.944 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.759 15.606 -15.594 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.424 17.147 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.535 17.334 -14.280 1.00 0.00 H new ATOM 1424 N ARG A 91 16.202 8.788 -14.226 1.00 0.00 N ATOM 1425 CA ARG A 91 15.584 8.365 -15.509 1.00 0.00 C ATOM 1426 C ARG A 91 14.056 8.338 -15.433 1.00 0.00 C ATOM 1427 O ARG A 91 13.381 8.940 -16.263 1.00 0.00 O ATOM 1428 CB ARG A 91 16.089 6.971 -15.930 1.00 0.00 C ATOM 1429 CG ARG A 91 17.575 6.917 -16.301 1.00 0.00 C ATOM 1430 CD ARG A 91 18.021 5.452 -16.503 1.00 0.00 C ATOM 1431 NE ARG A 91 18.367 5.167 -17.911 1.00 0.00 N ATOM 1432 CZ ARG A 91 19.505 5.432 -18.533 1.00 0.00 C ATOM 1433 NH1 ARG A 91 20.497 6.036 -17.940 1.00 0.00 N ATOM 1434 NH2 ARG A 91 19.669 5.089 -19.776 1.00 0.00 N ATOM 0 H ARG A 91 16.352 8.007 -13.587 1.00 0.00 H new ATOM 0 HA ARG A 91 15.880 9.105 -16.252 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.906 6.271 -15.115 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.502 6.628 -16.782 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.751 7.487 -17.213 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.171 7.381 -15.515 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.883 5.245 -15.869 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.222 4.783 -16.183 1.00 0.00 H new ATOM 0 HE ARG A 91 17.644 4.713 -18.469 1.00 0.00 H new ATOM 0 HH11 ARG A 91 20.411 6.321 -16.964 1.00 0.00 H new ATOM 0 HH12 ARG A 91 21.359 6.223 -18.452 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.919 4.613 -20.277 1.00 0.00 H new ATOM 0 HH22 ARG A 91 20.548 5.296 -20.250 1.00 0.00 H new ATOM 1448 N GLN A 92 13.534 7.605 -14.441 1.00 0.00 N ATOM 1449 CA GLN A 92 12.102 7.270 -14.337 1.00 0.00 C ATOM 1450 C GLN A 92 11.526 7.306 -12.918 1.00 0.00 C ATOM 1451 O GLN A 92 10.412 7.787 -12.725 1.00 0.00 O ATOM 1452 CB GLN A 92 11.843 5.903 -14.995 1.00 0.00 C ATOM 1453 CG GLN A 92 12.747 4.740 -14.535 1.00 0.00 C ATOM 1454 CD GLN A 92 12.220 3.396 -15.037 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.705 2.827 -16.005 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.200 2.849 -14.408 1.00 0.00 N ATOM 0 H GLN A 92 14.096 7.223 -13.680 1.00 0.00 H new ATOM 0 HA GLN A 92 11.572 8.061 -14.868 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.806 5.625 -14.808 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.953 6.016 -16.073 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.761 4.896 -14.904 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.802 4.728 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.789 3.316 -13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.821 1.958 -14.729 1.00 0.00 H new ATOM 1465 N ILE A 93 12.287 6.865 -11.905 1.00 0.00 N ATOM 1466 CA ILE A 93 11.777 6.808 -10.513 1.00 0.00 C ATOM 1467 C ILE A 93 11.562 8.229 -9.952 1.00 0.00 C ATOM 1468 O ILE A 93 10.748 8.431 -9.059 1.00 0.00 O ATOM 1469 CB ILE A 93 12.654 5.913 -9.587 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.177 4.632 -10.292 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.827 5.520 -8.349 1.00 0.00 C ATOM 1472 CD1 ILE A 93 14.025 3.692 -9.419 1.00 0.00 C ATOM 0 H ILE A 93 13.249 6.544 -12.014 1.00 0.00 H new ATOM 0 HA ILE A 93 10.803 6.319 -10.538 1.00 0.00 H new ATOM 0 HB ILE A 93 13.532 6.495 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.322 4.073 -10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.771 4.931 -11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.430 4.893 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.524 6.420 -7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.941 4.969 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.338 2.831 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.905 4.225 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.434 3.353 -8.568 1.00 0.00 H new ATOM 1484 N ASN A 94 12.197 9.244 -10.552 1.00 0.00 N ATOM 1485 CA ASN A 94 12.044 10.658 -10.188 1.00 0.00 C ATOM 1486 C ASN A 94 10.586 11.142 -10.291 1.00 0.00 C ATOM 1487 O ASN A 94 10.103 11.845 -9.408 1.00 0.00 O ATOM 1488 CB ASN A 94 12.964 11.512 -11.090 1.00 0.00 C ATOM 1489 CG ASN A 94 13.684 12.589 -10.297 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.257 13.731 -10.211 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.792 12.241 -9.685 1.00 0.00 N ATOM 0 H ASN A 94 12.848 9.100 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 94 12.332 10.770 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.696 10.868 -11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.372 11.975 -11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.305 12.926 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.139 11.285 -9.763 1.00 0.00 H new ATOM 1498 N GLN A 95 9.861 10.713 -11.334 1.00 0.00 N ATOM 1499 CA GLN A 95 8.432 11.014 -11.489 1.00 0.00 C ATOM 1500 C GLN A 95 7.586 10.219 -10.482 1.00 0.00 C ATOM 1501 O GLN A 95 6.700 10.779 -9.840 1.00 0.00 O ATOM 1502 CB GLN A 95 7.977 10.744 -12.933 1.00 0.00 C ATOM 1503 CG GLN A 95 8.645 11.689 -13.946 1.00 0.00 C ATOM 1504 CD GLN A 95 8.056 11.526 -15.347 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.125 12.213 -15.749 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.562 10.604 -16.138 1.00 0.00 N ATOM 0 H GLN A 95 10.248 10.150 -12.091 1.00 0.00 H new ATOM 0 HA GLN A 95 8.283 12.073 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.208 9.712 -13.197 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.894 10.855 -12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.521 12.721 -13.617 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.716 11.491 -13.977 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.337 10.025 -15.816 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.179 10.468 -17.073 1.00 0.00 H new ATOM 1515 N ALA A 96 7.908 8.936 -10.280 1.00 0.00 N ATOM 1516 CA ALA A 96 7.183 8.062 -9.355 1.00 0.00 C ATOM 1517 C ALA A 96 7.258 8.560 -7.897 1.00 0.00 C ATOM 1518 O ALA A 96 6.232 8.619 -7.217 1.00 0.00 O ATOM 1519 CB ALA A 96 7.726 6.635 -9.496 1.00 0.00 C ATOM 0 H ALA A 96 8.683 8.474 -10.757 1.00 0.00 H new ATOM 0 HA ALA A 96 6.125 8.075 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.194 5.974 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.581 6.290 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.789 6.625 -9.257 1.00 0.00 H new ATOM 1525 N LEU A 97 8.444 8.988 -7.436 1.00 0.00 N ATOM 1526 CA LEU A 97 8.628 9.532 -6.082 1.00 0.00 C ATOM 1527 C LEU A 97 8.044 10.943 -5.911 1.00 0.00 C ATOM 1528 O LEU A 97 7.528 11.278 -4.845 1.00 0.00 O ATOM 1529 CB LEU A 97 10.102 9.416 -5.657 1.00 0.00 C ATOM 1530 CG LEU A 97 11.132 10.311 -6.374 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.305 11.681 -5.709 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.510 9.645 -6.369 1.00 0.00 C ATOM 0 H LEU A 97 9.300 8.967 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 97 8.043 8.921 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.160 9.629 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.408 8.379 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 97 10.746 10.447 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.043 12.263 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.352 12.209 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.644 11.547 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.227 10.289 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.833 9.485 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.453 8.686 -6.884 1.00 0.00 H new ATOM 1544 N LEU A 98 8.055 11.751 -6.974 1.00 0.00 N ATOM 1545 CA LEU A 98 7.449 13.086 -6.981 1.00 0.00 C ATOM 1546 C LEU A 98 5.925 12.989 -6.827 1.00 0.00 C ATOM 1547 O LEU A 98 5.338 13.749 -6.055 1.00 0.00 O ATOM 1548 CB LEU A 98 7.859 13.828 -8.266 1.00 0.00 C ATOM 1549 CG LEU A 98 7.233 15.225 -8.425 1.00 0.00 C ATOM 1550 CD1 LEU A 98 7.673 16.192 -7.324 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.644 15.818 -9.774 1.00 0.00 C ATOM 0 H LEU A 98 8.488 11.496 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 98 7.815 13.660 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.944 13.926 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.581 13.219 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 98 6.152 15.099 -8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.203 17.163 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.373 15.798 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.757 16.305 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.201 16.807 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.730 15.900 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.295 15.170 -10.578 1.00 0.00 H new ATOM 1563 N SER A 99 5.292 12.008 -7.481 1.00 0.00 N ATOM 1564 CA SER A 99 3.850 11.759 -7.363 1.00 0.00 C ATOM 1565 C SER A 99 3.400 11.315 -5.957 1.00 0.00 C ATOM 1566 O SER A 99 2.213 11.414 -5.637 1.00 0.00 O ATOM 1567 CB SER A 99 3.385 10.737 -8.409 1.00 0.00 C ATOM 1568 OG SER A 99 3.520 11.276 -9.717 1.00 0.00 O ATOM 0 H SER A 99 5.768 11.361 -8.110 1.00 0.00 H new ATOM 0 HA SER A 99 3.374 12.722 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.973 9.824 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.345 10.465 -8.225 1.00 0.00 H new ATOM 0 HG SER A 99 4.459 11.234 -9.993 1.00 0.00 H new ATOM 1574 N THR A 100 4.326 10.879 -5.094 1.00 0.00 N ATOM 1575 CA THR A 100 4.056 10.560 -3.675 1.00 0.00 C ATOM 1576 C THR A 100 3.916 11.824 -2.812 1.00 0.00 C ATOM 1577 O THR A 100 3.213 11.805 -1.800 1.00 0.00 O ATOM 1578 CB THR A 100 5.155 9.643 -3.097 1.00 0.00 C ATOM 1579 OG1 THR A 100 5.351 8.529 -3.949 1.00 0.00 O ATOM 1580 CG2 THR A 100 4.816 9.076 -1.716 1.00 0.00 C ATOM 0 H THR A 100 5.300 10.734 -5.360 1.00 0.00 H new ATOM 0 HA THR A 100 3.102 10.033 -3.647 1.00 0.00 H new ATOM 0 HB THR A 100 6.042 10.271 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.051 7.952 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.633 8.441 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.672 9.895 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.901 8.487 -1.779 1.00 0.00 H new ATOM 1588 N GLY A 101 4.555 12.936 -3.202 1.00 0.00 N ATOM 1589 CA GLY A 101 4.576 14.191 -2.435 1.00 0.00 C ATOM 1590 C GLY A 101 5.488 14.178 -1.195 1.00 0.00 C ATOM 1591 O GLY A 101 5.405 15.080 -0.361 1.00 0.00 O ATOM 0 H GLY A 101 5.081 12.990 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.896 14.998 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.559 14.423 -2.118 1.00 0.00 H new ATOM 1595 N ASP A 102 6.356 13.168 -1.073 1.00 0.00 N ATOM 1596 CA ASP A 102 7.338 12.990 0.010 1.00 0.00 C ATOM 1597 C ASP A 102 8.693 12.485 -0.527 1.00 0.00 C ATOM 1598 O ASP A 102 8.798 12.016 -1.664 1.00 0.00 O ATOM 1599 CB ASP A 102 6.807 12.003 1.063 1.00 0.00 C ATOM 1600 CG ASP A 102 5.690 12.606 1.932 1.00 0.00 C ATOM 1601 OD1 ASP A 102 4.515 12.180 1.808 1.00 0.00 O ATOM 1602 OD2 ASP A 102 5.994 13.475 2.785 1.00 0.00 O ATOM 0 H ASP A 102 6.397 12.414 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 102 7.492 13.967 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.430 11.111 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.629 11.685 1.704 1.00 0.00 H new ATOM 1607 N LEU A 103 9.734 12.562 0.311 1.00 0.00 N ATOM 1608 CA LEU A 103 11.078 12.071 -0.009 1.00 0.00 C ATOM 1609 C LEU A 103 11.152 10.535 -0.153 1.00 0.00 C ATOM 1610 O LEU A 103 10.339 9.794 0.404 1.00 0.00 O ATOM 1611 CB LEU A 103 12.100 12.632 1.005 1.00 0.00 C ATOM 1612 CG LEU A 103 12.345 11.794 2.280 1.00 0.00 C ATOM 1613 CD1 LEU A 103 13.455 12.441 3.107 1.00 0.00 C ATOM 1614 CD2 LEU A 103 11.106 11.679 3.167 1.00 0.00 C ATOM 0 H LEU A 103 9.665 12.973 1.242 1.00 0.00 H new ATOM 0 HA LEU A 103 11.340 12.446 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 103 13.054 12.758 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.768 13.625 1.309 1.00 0.00 H new ATOM 0 HG LEU A 103 12.618 10.793 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 103 13.629 11.851 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 103 14.371 12.483 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 103 13.158 13.452 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.342 11.079 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.790 12.674 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.301 11.202 2.608 1.00 0.00 H new ATOM 1626 N ALA A 104 12.174 10.067 -0.878 1.00 0.00 N ATOM 1627 CA ALA A 104 12.449 8.638 -1.097 1.00 0.00 C ATOM 1628 C ALA A 104 13.946 8.330 -1.355 1.00 0.00 C ATOM 1629 O ALA A 104 14.277 7.387 -2.077 1.00 0.00 O ATOM 1630 CB ALA A 104 11.544 8.154 -2.244 1.00 0.00 C ATOM 0 H ALA A 104 12.847 10.680 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 104 12.220 8.090 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.726 7.095 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.499 8.300 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.765 8.724 -3.147 1.00 0.00 H new ATOM 1636 N HIS A 105 14.858 9.155 -0.815 1.00 0.00 N ATOM 1637 CA HIS A 105 16.292 9.133 -1.166 1.00 0.00 C ATOM 1638 C HIS A 105 17.230 9.219 0.046 1.00 0.00 C ATOM 1639 O HIS A 105 18.094 8.360 0.220 1.00 0.00 O ATOM 1640 CB HIS A 105 16.573 10.266 -2.165 1.00 0.00 C ATOM 1641 CG HIS A 105 17.886 10.088 -2.887 1.00 0.00 C ATOM 1642 ND1 HIS A 105 19.095 10.712 -2.566 1.00 0.00 N ATOM 1643 CD2 HIS A 105 18.085 9.254 -3.949 1.00 0.00 C ATOM 1644 CE1 HIS A 105 19.997 10.236 -3.444 1.00 0.00 C ATOM 1645 NE2 HIS A 105 19.415 9.362 -4.283 1.00 0.00 N ATOM 0 H HIS A 105 14.622 9.861 -0.118 1.00 0.00 H new ATOM 0 HA HIS A 105 16.504 8.164 -1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.764 10.312 -2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.579 11.219 -1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.345 8.633 -4.431 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.040 10.516 -3.471 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.881 8.863 -5.040 1.00 0.00 H new ATOM 1653 N ASP A 106 17.017 10.198 0.933 1.00 0.00 N ATOM 1654 CA ASP A 106 17.811 10.430 2.155 1.00 0.00 C ATOM 1655 C ASP A 106 17.410 9.486 3.320 1.00 0.00 C ATOM 1656 O ASP A 106 17.323 9.881 4.485 1.00 0.00 O ATOM 1657 CB ASP A 106 17.747 11.921 2.528 1.00 0.00 C ATOM 1658 CG ASP A 106 18.418 12.816 1.474 1.00 0.00 C ATOM 1659 OD1 ASP A 106 17.696 13.490 0.698 1.00 0.00 O ATOM 1660 OD2 ASP A 106 19.671 12.877 1.440 1.00 0.00 O ATOM 0 H ASP A 106 16.263 10.876 0.820 1.00 0.00 H new ATOM 0 HA ASP A 106 18.851 10.177 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.705 12.220 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 106 18.232 12.073 3.492 1.00 0.00 H new ATOM 1665 N GLU A 107 17.129 8.222 2.994 1.00 0.00 N ATOM 1666 CA GLU A 107 16.601 7.200 3.911 1.00 0.00 C ATOM 1667 C GLU A 107 17.664 6.583 4.842 1.00 0.00 C ATOM 1668 O GLU A 107 17.326 6.109 5.934 1.00 0.00 O ATOM 1669 CB GLU A 107 15.933 6.095 3.078 1.00 0.00 C ATOM 1670 CG GLU A 107 14.649 6.544 2.364 1.00 0.00 C ATOM 1671 CD GLU A 107 13.533 6.911 3.363 1.00 0.00 C ATOM 1672 OE1 GLU A 107 12.895 5.990 3.931 1.00 0.00 O ATOM 1673 OE2 GLU A 107 13.279 8.120 3.583 1.00 0.00 O ATOM 0 H GLU A 107 17.267 7.865 2.048 1.00 0.00 H new ATOM 0 HA GLU A 107 15.885 7.696 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 107 16.644 5.734 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.699 5.253 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.867 7.405 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.301 5.746 1.708 1.00 0.00 H new ATOM 1680 N PHE A 108 18.935 6.602 4.421 1.00 0.00 N ATOM 1681 CA PHE A 108 20.095 6.010 5.107 1.00 0.00 C ATOM 1682 C PHE A 108 21.315 6.954 5.106 1.00 0.00 C ATOM 1683 O PHE A 108 21.927 7.133 6.186 1.00 0.00 O ATOM 1684 CB PHE A 108 20.440 4.654 4.466 1.00 0.00 C ATOM 1685 CG PHE A 108 19.350 3.599 4.575 1.00 0.00 C ATOM 1686 CD1 PHE A 108 19.310 2.735 5.687 1.00 0.00 C ATOM 1687 CD2 PHE A 108 18.371 3.482 3.568 1.00 0.00 C ATOM 1688 CE1 PHE A 108 18.302 1.758 5.788 1.00 0.00 C ATOM 1689 CE2 PHE A 108 17.362 2.507 3.671 1.00 0.00 C ATOM 1690 CZ PHE A 108 17.329 1.643 4.780 1.00 0.00 C ATOM 0 H PHE A 108 19.198 7.055 3.546 1.00 0.00 H new ATOM 0 HA PHE A 108 19.827 5.853 6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 108 20.667 4.814 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 108 21.347 4.268 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 108 20.055 2.823 6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 108 18.395 4.143 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 108 18.276 1.096 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 108 16.613 2.422 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 108 16.557 0.892 4.857 1.00 0.00 H new TER 1700 PHE A 108