USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 76:sc= 0.474 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 31 THR OG1 : rot -96:sc= 0.637 USER MOD Single : A 33 SER OG : rot 74:sc= 0.737 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.45) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.733 USER MOD Single : A 47 CYS SG : rot 74:sc= -1.48! USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.33 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 132:sc= -0.137 (180deg=-2.1!) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0812) USER MOD Single : A 70 MET CE :methyl 136:sc= -0.0239 (180deg=-1.82) USER MOD Single : A 71 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.8!) USER MOD Single : A 72 GLN : amide:sc= -1.66 K(o=-1.7,f=-6.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.77 K(o=0.77,f=-0.023) USER MOD Single : A 80 MET CE :methyl -132:sc=-0.00373 (180deg=-0.154) USER MOD Single : A 88 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.14) USER MOD Single : A 90 GLN : amide:sc= -1.25 K(o=-1.3,f=-8.5!) USER MOD Single : A 94 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 130:sc= -0.57 USER MOD Single : A 99 SER OG : rot 180:sc= 0.1 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 12.280 -5.110 8.041 1.00 0.00 N ATOM 2 CA ALA A 8 13.481 -4.330 7.765 1.00 0.00 C ATOM 3 C ALA A 8 13.621 -4.047 6.272 1.00 0.00 C ATOM 4 O ALA A 8 14.662 -4.318 5.675 1.00 0.00 O ATOM 5 CB ALA A 8 14.713 -5.056 8.284 1.00 0.00 C ATOM 0 HA ALA A 8 13.391 -3.375 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.602 -4.462 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.623 -5.201 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.798 -6.025 7.793 1.00 0.00 H new ATOM 11 N ALA A 9 12.566 -3.503 5.677 1.00 0.00 N ATOM 12 CA ALA A 9 12.572 -3.183 4.254 1.00 0.00 C ATOM 13 C ALA A 9 13.790 -2.341 3.887 1.00 0.00 C ATOM 14 O ALA A 9 14.423 -1.717 4.739 1.00 0.00 O ATOM 15 CB ALA A 9 11.292 -2.457 3.871 1.00 0.00 C ATOM 0 H ALA A 9 11.696 -3.274 6.157 1.00 0.00 H new ATOM 0 HA ALA A 9 12.627 -4.118 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.310 -2.224 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.434 -3.093 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.213 -1.533 4.443 1.00 0.00 H new ATOM 21 N PRO A 10 14.128 -2.324 2.590 1.00 0.00 N ATOM 22 CA PRO A 10 15.273 -1.563 2.080 1.00 0.00 C ATOM 23 C PRO A 10 15.041 -0.057 2.141 1.00 0.00 C ATOM 24 O PRO A 10 13.962 0.400 2.516 1.00 0.00 O ATOM 25 CB PRO A 10 15.389 -2.027 0.626 1.00 0.00 C ATOM 26 CG PRO A 10 14.017 -2.478 0.262 1.00 0.00 C ATOM 27 CD PRO A 10 13.420 -3.045 1.519 1.00 0.00 C ATOM 0 HA PRO A 10 16.173 -1.737 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.725 -1.218 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.112 -2.837 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.420 -1.647 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.050 -3.229 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.344 -2.876 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.577 -4.121 1.588 1.00 0.00 H new ATOM 35 N ASN A 11 16.061 0.710 1.769 1.00 0.00 N ATOM 36 CA ASN A 11 15.968 2.166 1.782 1.00 0.00 C ATOM 37 C ASN A 11 15.169 2.669 0.583 1.00 0.00 C ATOM 38 O ASN A 11 15.734 2.997 -0.461 1.00 0.00 O ATOM 39 CB ASN A 11 17.366 2.787 1.774 1.00 0.00 C ATOM 40 CG ASN A 11 17.348 4.254 2.156 1.00 0.00 C ATOM 41 OD1 ASN A 11 17.855 5.104 1.423 1.00 0.00 O ATOM 42 ND2 ASN A 11 16.762 4.559 3.308 1.00 0.00 N ATOM 0 H ASN A 11 16.961 0.348 1.455 1.00 0.00 H new ATOM 0 HA ASN A 11 15.451 2.465 2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 11 18.007 2.242 2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 11 17.804 2.678 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.719 5.530 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.355 3.822 3.884 1.00 0.00 H new ATOM 49 N LEU A 12 13.851 2.729 0.742 1.00 0.00 N ATOM 50 CA LEU A 12 12.973 3.194 -0.326 1.00 0.00 C ATOM 51 C LEU A 12 12.627 4.669 -0.143 1.00 0.00 C ATOM 52 O LEU A 12 12.465 5.144 0.980 1.00 0.00 O ATOM 53 CB LEU A 12 11.692 2.359 -0.360 1.00 0.00 C ATOM 54 CG LEU A 12 11.172 1.982 -1.748 1.00 0.00 C ATOM 55 CD1 LEU A 12 10.776 3.228 -2.526 1.00 0.00 C ATOM 56 CD2 LEU A 12 12.221 1.186 -2.512 1.00 0.00 C ATOM 0 H LEU A 12 13.368 2.462 1.599 1.00 0.00 H new ATOM 0 HA LEU A 12 13.500 3.078 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.865 1.442 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.909 2.910 0.162 1.00 0.00 H new ATOM 0 HG LEU A 12 10.287 1.357 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.408 2.940 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.992 3.760 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.644 3.878 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.834 0.926 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.124 1.787 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.457 0.274 -1.963 1.00 0.00 H new ATOM 68 N ALA A 13 12.514 5.387 -1.256 1.00 0.00 N ATOM 69 CA ALA A 13 12.184 6.806 -1.220 1.00 0.00 C ATOM 70 C ALA A 13 10.937 7.058 -0.378 1.00 0.00 C ATOM 71 O ALA A 13 10.184 6.134 -0.075 1.00 0.00 O ATOM 72 CB ALA A 13 11.987 7.339 -2.631 1.00 0.00 C ATOM 0 H ALA A 13 12.646 5.009 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 13 13.017 7.336 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.741 8.400 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.905 7.202 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.174 6.797 -3.114 1.00 0.00 H new ATOM 78 N GLY A 14 10.725 8.315 -0.003 1.00 0.00 N ATOM 79 CA GLY A 14 9.570 8.665 0.801 1.00 0.00 C ATOM 80 C GLY A 14 8.285 8.674 -0.004 1.00 0.00 C ATOM 81 O GLY A 14 7.196 8.799 0.554 1.00 0.00 O ATOM 0 H GLY A 14 11.333 9.098 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.475 7.956 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.724 9.649 1.245 1.00 0.00 H new ATOM 85 N ALA A 15 8.412 8.543 -1.320 1.00 0.00 N ATOM 86 CA ALA A 15 7.253 8.536 -2.203 1.00 0.00 C ATOM 87 C ALA A 15 6.467 9.837 -2.087 1.00 0.00 C ATOM 88 O ALA A 15 5.267 9.827 -1.812 1.00 0.00 O ATOM 89 CB ALA A 15 6.358 7.347 -1.889 1.00 0.00 C ATOM 0 H ALA A 15 9.307 8.440 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 15 7.609 8.448 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.496 7.354 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.918 6.423 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.017 7.411 -0.856 1.00 0.00 H new ATOM 95 N VAL A 16 7.150 10.958 -2.298 1.00 0.00 N ATOM 96 CA VAL A 16 6.516 12.268 -2.217 1.00 0.00 C ATOM 97 C VAL A 16 5.558 12.487 -3.382 1.00 0.00 C ATOM 98 O VAL A 16 4.615 13.272 -3.284 1.00 0.00 O ATOM 99 CB VAL A 16 7.562 13.398 -2.208 1.00 0.00 C ATOM 100 CG1 VAL A 16 8.455 13.290 -0.981 1.00 0.00 C ATOM 101 CG2 VAL A 16 8.390 13.369 -3.484 1.00 0.00 C ATOM 0 H VAL A 16 8.144 10.985 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 16 5.958 12.292 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 16 7.038 14.353 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.188 14.097 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.846 13.365 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.972 12.330 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.124 14.175 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.905 12.411 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.735 13.500 -4.346 1.00 0.00 H new ATOM 111 N GLU A 17 5.805 11.786 -4.485 1.00 0.00 N ATOM 112 CA GLU A 17 4.963 11.905 -5.669 1.00 0.00 C ATOM 113 C GLU A 17 4.272 10.580 -5.981 1.00 0.00 C ATOM 114 O GLU A 17 4.802 9.508 -5.690 1.00 0.00 O ATOM 115 CB GLU A 17 5.796 12.354 -6.872 1.00 0.00 C ATOM 116 CG GLU A 17 6.094 13.844 -6.884 1.00 0.00 C ATOM 117 CD GLU A 17 6.824 14.282 -8.138 1.00 0.00 C ATOM 118 OE1 GLU A 17 6.148 14.615 -9.133 1.00 0.00 O ATOM 119 OE2 GLU A 17 8.073 14.292 -8.125 1.00 0.00 O ATOM 0 H GLU A 17 6.581 11.131 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 17 4.198 12.655 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.737 11.804 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.267 12.090 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.159 14.398 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.695 14.098 -6.011 1.00 0.00 H new ATOM 126 N PHE A 18 3.086 10.663 -6.575 1.00 0.00 N ATOM 127 CA PHE A 18 2.322 9.472 -6.925 1.00 0.00 C ATOM 128 C PHE A 18 3.131 8.555 -7.836 1.00 0.00 C ATOM 129 O PHE A 18 2.998 7.332 -7.781 1.00 0.00 O ATOM 130 CB PHE A 18 1.012 9.865 -7.611 1.00 0.00 C ATOM 131 CG PHE A 18 0.148 8.690 -7.972 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.149 7.717 -7.032 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.364 8.558 -9.254 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.944 6.634 -7.362 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.159 7.478 -9.588 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.448 6.514 -8.641 1.00 0.00 C ATOM 0 H PHE A 18 2.634 11.543 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 18 2.095 8.933 -6.005 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.452 10.529 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.240 10.430 -8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.245 7.805 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.139 9.307 -9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.170 5.883 -6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.554 7.387 -10.589 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.067 5.668 -8.901 1.00 0.00 H new ATOM 146 N SER A 19 3.971 9.154 -8.675 1.00 0.00 N ATOM 147 CA SER A 19 4.799 8.393 -9.602 1.00 0.00 C ATOM 148 C SER A 19 5.688 7.404 -8.851 1.00 0.00 C ATOM 149 O SER A 19 5.992 6.323 -9.352 1.00 0.00 O ATOM 150 CB SER A 19 5.661 9.336 -10.442 1.00 0.00 C ATOM 151 OG SER A 19 6.147 10.413 -9.660 1.00 0.00 O ATOM 0 H SER A 19 4.096 10.165 -8.731 1.00 0.00 H new ATOM 0 HA SER A 19 4.139 7.832 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.499 8.785 -10.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.076 9.723 -11.276 1.00 0.00 H new ATOM 0 HG SER A 19 6.697 11.001 -10.219 1.00 0.00 H new ATOM 157 N ASP A 20 6.099 7.787 -7.647 1.00 0.00 N ATOM 158 CA ASP A 20 6.951 6.936 -6.825 1.00 0.00 C ATOM 159 C ASP A 20 6.123 5.894 -6.080 1.00 0.00 C ATOM 160 O ASP A 20 6.615 4.816 -5.747 1.00 0.00 O ATOM 161 CB ASP A 20 7.745 7.782 -5.828 1.00 0.00 C ATOM 162 CG ASP A 20 9.066 8.260 -6.397 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.196 8.307 -7.639 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.970 8.588 -5.601 1.00 0.00 O ATOM 0 H ASP A 20 5.856 8.680 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 20 7.647 6.417 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.148 8.644 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.931 7.197 -4.927 1.00 0.00 H new ATOM 169 N VAL A 21 4.862 6.224 -5.820 1.00 0.00 N ATOM 170 CA VAL A 21 3.964 5.317 -5.114 1.00 0.00 C ATOM 171 C VAL A 21 3.612 4.111 -5.977 1.00 0.00 C ATOM 172 O VAL A 21 3.541 2.983 -5.488 1.00 0.00 O ATOM 173 CB VAL A 21 2.665 6.029 -4.691 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.757 5.075 -3.929 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.982 7.259 -3.854 1.00 0.00 C ATOM 0 H VAL A 21 4.439 7.113 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 21 4.492 4.980 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 21 2.139 6.353 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.844 5.595 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.504 4.227 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.271 4.718 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.054 7.750 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.529 6.960 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.591 7.949 -4.438 1.00 0.00 H new ATOM 185 N LYS A 22 3.390 4.355 -7.265 1.00 0.00 N ATOM 186 CA LYS A 22 3.047 3.290 -8.198 1.00 0.00 C ATOM 187 C LYS A 22 4.226 2.345 -8.405 1.00 0.00 C ATOM 188 O LYS A 22 4.046 1.141 -8.593 1.00 0.00 O ATOM 189 CB LYS A 22 2.612 3.881 -9.541 1.00 0.00 C ATOM 190 CG LYS A 22 3.620 4.852 -10.132 1.00 0.00 C ATOM 191 CD LYS A 22 3.208 5.305 -11.523 1.00 0.00 C ATOM 192 CE LYS A 22 4.413 5.707 -12.359 1.00 0.00 C ATOM 193 NZ LYS A 22 4.011 6.289 -13.669 1.00 0.00 N ATOM 0 H LYS A 22 3.442 5.283 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 22 2.220 2.722 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.444 3.069 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.659 4.394 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.717 5.720 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.600 4.377 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.669 4.501 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.522 6.148 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.011 6.432 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.045 4.835 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.861 6.550 -14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.462 5.588 -14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.429 7.136 -13.509 1.00 0.00 H new ATOM 207 N THR A 23 5.435 2.897 -8.366 1.00 0.00 N ATOM 208 CA THR A 23 6.644 2.105 -8.549 1.00 0.00 C ATOM 209 C THR A 23 6.839 1.127 -7.396 1.00 0.00 C ATOM 210 O THR A 23 6.909 -0.086 -7.602 1.00 0.00 O ATOM 211 CB THR A 23 7.892 3.000 -8.664 1.00 0.00 C ATOM 212 OG1 THR A 23 7.731 3.927 -9.744 1.00 0.00 O ATOM 213 CG2 THR A 23 9.141 2.162 -8.889 1.00 0.00 C ATOM 0 H THR A 23 5.602 3.891 -8.209 1.00 0.00 H new ATOM 0 HA THR A 23 6.519 1.549 -9.478 1.00 0.00 H new ATOM 0 HB THR A 23 8.007 3.548 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.123 4.645 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.009 2.817 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.276 1.478 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.034 1.590 -9.811 1.00 0.00 H new ATOM 221 N LEU A 24 6.926 1.660 -6.182 1.00 0.00 N ATOM 222 CA LEU A 24 7.112 0.834 -4.995 1.00 0.00 C ATOM 223 C LEU A 24 6.001 -0.204 -4.874 1.00 0.00 C ATOM 224 O LEU A 24 6.215 -1.301 -4.355 1.00 0.00 O ATOM 225 CB LEU A 24 7.147 1.709 -3.741 1.00 0.00 C ATOM 226 CG LEU A 24 5.788 2.130 -3.178 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.304 1.124 -2.144 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.871 3.523 -2.571 1.00 0.00 C ATOM 0 H LEU A 24 6.871 2.661 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 24 8.063 0.311 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.690 1.172 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.719 2.609 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 24 5.068 2.154 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.336 1.440 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.206 0.143 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.023 1.068 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.896 3.806 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.604 3.525 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.173 4.237 -3.338 1.00 0.00 H new ATOM 240 N LEU A 25 4.815 0.148 -5.358 1.00 0.00 N ATOM 241 CA LEU A 25 3.670 -0.754 -5.307 1.00 0.00 C ATOM 242 C LEU A 25 3.818 -1.881 -6.324 1.00 0.00 C ATOM 243 O LEU A 25 3.654 -3.057 -5.994 1.00 0.00 O ATOM 244 CB LEU A 25 2.375 0.017 -5.569 1.00 0.00 C ATOM 245 CG LEU A 25 1.824 0.824 -4.392 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.855 1.888 -4.882 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.148 -0.095 -3.386 1.00 0.00 C ATOM 0 H LEU A 25 4.621 1.051 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 25 3.629 -1.192 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.544 0.698 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.611 -0.693 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 25 2.657 1.322 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.473 2.452 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.371 2.564 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.025 1.412 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.762 0.496 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.325 -0.622 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.872 -0.819 -3.011 1.00 0.00 H new ATOM 259 N LYS A 26 4.132 -1.517 -7.562 1.00 0.00 N ATOM 260 CA LYS A 26 4.306 -2.496 -8.628 1.00 0.00 C ATOM 261 C LYS A 26 5.475 -3.427 -8.325 1.00 0.00 C ATOM 262 O LYS A 26 5.449 -4.605 -8.680 1.00 0.00 O ATOM 263 CB LYS A 26 4.538 -1.789 -9.965 1.00 0.00 C ATOM 264 CG LYS A 26 4.701 -2.742 -11.136 1.00 0.00 C ATOM 265 CD LYS A 26 3.356 -3.188 -11.685 1.00 0.00 C ATOM 266 CE LYS A 26 3.476 -3.691 -13.115 1.00 0.00 C ATOM 267 NZ LYS A 26 2.205 -4.294 -13.600 1.00 0.00 N ATOM 0 H LYS A 26 4.271 -0.549 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 26 3.396 -3.092 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.699 -1.122 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.429 -1.166 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.274 -2.255 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.273 -3.614 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.948 -3.977 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.653 -2.356 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.758 -2.865 -13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.274 -4.431 -13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.329 -4.624 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.948 -5.098 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.448 -3.581 -13.568 1.00 0.00 H new ATOM 281 N GLU A 27 6.497 -2.892 -7.665 1.00 0.00 N ATOM 282 CA GLU A 27 7.675 -3.678 -7.314 1.00 0.00 C ATOM 283 C GLU A 27 7.377 -4.611 -6.144 1.00 0.00 C ATOM 284 O GLU A 27 7.868 -5.738 -6.096 1.00 0.00 O ATOM 285 CB GLU A 27 8.844 -2.755 -6.961 1.00 0.00 C ATOM 286 CG GLU A 27 9.694 -2.365 -8.158 1.00 0.00 C ATOM 287 CD GLU A 27 10.788 -1.379 -7.799 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.860 -0.974 -6.620 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.575 -1.013 -8.698 1.00 0.00 O ATOM 0 H GLU A 27 6.534 -1.919 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 27 7.948 -4.284 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.454 -1.851 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.476 -3.249 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.143 -3.261 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.055 -1.930 -8.926 1.00 0.00 H new ATOM 296 N TRP A 28 6.571 -4.131 -5.203 1.00 0.00 N ATOM 297 CA TRP A 28 6.208 -4.922 -4.033 1.00 0.00 C ATOM 298 C TRP A 28 5.340 -6.112 -4.427 1.00 0.00 C ATOM 299 O TRP A 28 5.227 -7.083 -3.679 1.00 0.00 O ATOM 300 CB TRP A 28 5.471 -4.052 -3.013 1.00 0.00 C ATOM 301 CG TRP A 28 5.081 -4.794 -1.770 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.910 -5.489 -0.936 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.763 -4.917 -1.224 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.187 -6.037 0.095 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.867 -5.699 -0.057 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.506 -4.440 -1.605 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.763 -6.015 0.728 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.410 -4.756 -0.825 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.544 -5.536 0.331 1.00 0.00 C ATOM 0 H TRP A 28 6.157 -3.199 -5.228 1.00 0.00 H new ATOM 0 HA TRP A 28 7.126 -5.300 -3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.105 -3.209 -2.740 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.575 -3.640 -3.478 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.977 -5.592 -1.068 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.570 -6.604 0.852 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.393 -3.835 -2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.864 -6.617 1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.433 -4.395 -1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.668 -5.764 0.920 1.00 0.00 H new ATOM 320 N ILE A 29 4.729 -6.028 -5.603 1.00 0.00 N ATOM 321 CA ILE A 29 3.872 -7.100 -6.096 1.00 0.00 C ATOM 322 C ILE A 29 4.640 -8.037 -7.020 1.00 0.00 C ATOM 323 O ILE A 29 4.313 -9.219 -7.136 1.00 0.00 O ATOM 324 CB ILE A 29 2.651 -6.541 -6.850 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.829 -5.632 -5.934 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.793 -7.679 -7.384 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.877 -4.723 -6.680 1.00 0.00 C ATOM 0 H ILE A 29 4.811 -5.230 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 29 3.528 -7.656 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 29 3.004 -5.949 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.260 -6.249 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.507 -5.023 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.934 -7.269 -7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.383 -8.290 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.447 -8.294 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.328 -4.108 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.442 -4.080 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.175 -5.326 -7.256 1.00 0.00 H new ATOM 339 N THR A 30 5.667 -7.504 -7.676 1.00 0.00 N ATOM 340 CA THR A 30 6.483 -8.293 -8.589 1.00 0.00 C ATOM 341 C THR A 30 7.640 -8.962 -7.855 1.00 0.00 C ATOM 342 O THR A 30 7.750 -10.188 -7.834 1.00 0.00 O ATOM 343 CB THR A 30 7.048 -7.425 -9.730 1.00 0.00 C ATOM 344 OG1 THR A 30 7.794 -6.330 -9.189 1.00 0.00 O ATOM 345 CG2 THR A 30 5.928 -6.896 -10.612 1.00 0.00 C ATOM 0 H THR A 30 5.953 -6.528 -7.591 1.00 0.00 H new ATOM 0 HA THR A 30 5.833 -9.059 -9.012 1.00 0.00 H new ATOM 0 HB THR A 30 7.706 -8.046 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.151 -5.784 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.351 -6.286 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.380 -7.733 -11.046 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.249 -6.289 -10.013 1.00 0.00 H new ATOM 353 N THR A 31 8.502 -8.149 -7.252 1.00 0.00 N ATOM 354 CA THR A 31 9.650 -8.662 -6.516 1.00 0.00 C ATOM 355 C THR A 31 9.218 -9.652 -5.441 1.00 0.00 C ATOM 356 O THR A 31 9.792 -10.734 -5.313 1.00 0.00 O ATOM 357 CB THR A 31 10.450 -7.522 -5.856 1.00 0.00 C ATOM 358 OG1 THR A 31 9.712 -6.982 -4.753 1.00 0.00 O ATOM 359 CG2 THR A 31 10.749 -6.419 -6.859 1.00 0.00 C ATOM 0 H THR A 31 8.426 -7.132 -7.259 1.00 0.00 H new ATOM 0 HA THR A 31 10.286 -9.171 -7.240 1.00 0.00 H new ATOM 0 HB THR A 31 11.395 -7.931 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.218 -6.188 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.314 -5.626 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.334 -6.826 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.813 -6.013 -7.244 1.00 0.00 H new ATOM 367 N ILE A 32 8.202 -9.277 -4.672 1.00 0.00 N ATOM 368 CA ILE A 32 7.691 -10.135 -3.610 1.00 0.00 C ATOM 369 C ILE A 32 6.509 -10.967 -4.095 1.00 0.00 C ATOM 370 O ILE A 32 5.740 -10.532 -4.953 1.00 0.00 O ATOM 371 CB ILE A 32 7.255 -9.312 -2.383 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.328 -8.282 -2.025 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.978 -10.229 -1.202 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.684 -8.894 -1.747 1.00 0.00 C ATOM 0 H ILE A 32 7.716 -8.385 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 32 8.506 -10.799 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 32 6.336 -8.780 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.422 -7.567 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.004 -7.722 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.671 -9.633 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.182 -10.927 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.882 -10.785 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.395 -8.106 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.606 -9.587 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.029 -9.430 -2.631 1.00 0.00 H new ATOM 386 N SER A 33 6.370 -12.167 -3.541 1.00 0.00 N ATOM 387 CA SER A 33 5.282 -13.062 -3.918 1.00 0.00 C ATOM 388 C SER A 33 4.569 -13.603 -2.682 1.00 0.00 C ATOM 389 O SER A 33 3.344 -13.718 -2.660 1.00 0.00 O ATOM 390 CB SER A 33 5.818 -14.221 -4.761 1.00 0.00 C ATOM 391 OG SER A 33 6.757 -14.991 -4.031 1.00 0.00 O ATOM 0 H SER A 33 6.997 -12.542 -2.829 1.00 0.00 H new ATOM 0 HA SER A 33 4.564 -12.493 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.991 -14.856 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.287 -13.831 -5.665 1.00 0.00 H new ATOM 0 HG SER A 33 6.287 -15.537 -3.366 1.00 0.00 H new ATOM 397 N ASP A 34 5.347 -13.933 -1.657 1.00 0.00 N ATOM 398 CA ASP A 34 4.792 -14.461 -0.416 1.00 0.00 C ATOM 399 C ASP A 34 5.293 -13.666 0.785 1.00 0.00 C ATOM 400 O ASP A 34 6.093 -14.147 1.588 1.00 0.00 O ATOM 401 CB ASP A 34 5.159 -15.938 -0.256 1.00 0.00 C ATOM 402 CG ASP A 34 6.593 -16.225 -0.657 1.00 0.00 C ATOM 403 OD1 ASP A 34 7.486 -16.105 0.207 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.821 -16.567 -1.837 1.00 0.00 O ATOM 0 H ASP A 34 6.363 -13.844 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 34 3.707 -14.367 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.008 -16.237 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.487 -16.544 -0.863 1.00 0.00 H new ATOM 409 N PRO A 35 4.813 -12.420 0.911 1.00 0.00 N ATOM 410 CA PRO A 35 5.199 -11.531 2.012 1.00 0.00 C ATOM 411 C PRO A 35 4.635 -11.990 3.353 1.00 0.00 C ATOM 412 O PRO A 35 3.861 -12.944 3.417 1.00 0.00 O ATOM 413 CB PRO A 35 4.593 -10.184 1.609 1.00 0.00 C ATOM 414 CG PRO A 35 3.448 -10.535 0.723 1.00 0.00 C ATOM 415 CD PRO A 35 3.857 -11.783 -0.009 1.00 0.00 C ATOM 0 HA PRO A 35 6.279 -11.502 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.261 -9.622 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.321 -9.562 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.542 -10.703 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.233 -9.726 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.002 -12.429 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.317 -11.553 -0.970 1.00 0.00 H new ATOM 423 N MET A 36 5.029 -11.304 4.421 1.00 0.00 N ATOM 424 CA MET A 36 4.561 -11.640 5.760 1.00 0.00 C ATOM 425 C MET A 36 3.449 -10.695 6.201 1.00 0.00 C ATOM 426 O MET A 36 3.229 -9.651 5.585 1.00 0.00 O ATOM 427 CB MET A 36 5.719 -11.584 6.758 1.00 0.00 C ATOM 428 CG MET A 36 6.917 -12.426 6.346 1.00 0.00 C ATOM 429 SD MET A 36 8.198 -12.477 7.615 1.00 0.00 S ATOM 430 CE MET A 36 8.641 -14.212 7.578 1.00 0.00 C ATOM 0 H MET A 36 5.671 -10.512 4.385 1.00 0.00 H new ATOM 0 HA MET A 36 4.162 -12.654 5.734 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.037 -10.548 6.876 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.365 -11.922 7.732 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.585 -13.441 6.129 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.339 -12.024 5.425 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.425 -14.403 8.311 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.766 -14.816 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.002 -14.474 6.583 1.00 0.00 H new ATOM 440 N GLU A 37 2.751 -11.065 7.269 1.00 0.00 N ATOM 441 CA GLU A 37 1.661 -10.249 7.790 1.00 0.00 C ATOM 442 C GLU A 37 2.115 -8.808 8.008 1.00 0.00 C ATOM 443 O GLU A 37 1.404 -7.865 7.665 1.00 0.00 O ATOM 444 CB GLU A 37 1.139 -10.834 9.104 1.00 0.00 C ATOM 445 CG GLU A 37 2.228 -11.093 10.131 1.00 0.00 C ATOM 446 CD GLU A 37 1.739 -11.915 11.308 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.305 -13.066 11.089 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.788 -11.406 12.447 1.00 0.00 O ATOM 0 H GLU A 37 2.921 -11.925 7.791 1.00 0.00 H new ATOM 0 HA GLU A 37 0.857 -10.251 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.405 -10.150 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.619 -11.769 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.058 -11.611 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.614 -10.140 10.494 1.00 0.00 H new ATOM 455 N GLU A 38 3.304 -8.649 8.580 1.00 0.00 N ATOM 456 CA GLU A 38 3.853 -7.325 8.845 1.00 0.00 C ATOM 457 C GLU A 38 3.979 -6.521 7.554 1.00 0.00 C ATOM 458 O GLU A 38 3.887 -5.293 7.564 1.00 0.00 O ATOM 459 CB GLU A 38 5.221 -7.441 9.521 1.00 0.00 C ATOM 460 CG GLU A 38 6.320 -7.925 8.592 1.00 0.00 C ATOM 461 CD GLU A 38 7.641 -8.131 9.309 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.845 -7.499 10.366 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.470 -8.922 8.811 1.00 0.00 O ATOM 0 H GLU A 38 3.905 -9.421 8.869 1.00 0.00 H new ATOM 0 HA GLU A 38 3.168 -6.803 9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.501 -6.468 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.143 -8.126 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.012 -8.862 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.456 -7.202 7.788 1.00 0.00 H new ATOM 470 N ASP A 39 4.190 -7.222 6.445 1.00 0.00 N ATOM 471 CA ASP A 39 4.327 -6.574 5.145 1.00 0.00 C ATOM 472 C ASP A 39 3.027 -5.886 4.741 1.00 0.00 C ATOM 473 O ASP A 39 3.042 -4.782 4.193 1.00 0.00 O ATOM 474 CB ASP A 39 4.730 -7.597 4.083 1.00 0.00 C ATOM 475 CG ASP A 39 5.856 -7.100 3.198 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.065 -5.870 3.138 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.529 -7.941 2.565 1.00 0.00 O ATOM 0 H ASP A 39 4.270 -8.239 6.420 1.00 0.00 H new ATOM 0 HA ASP A 39 5.107 -5.817 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.037 -8.522 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.864 -7.835 3.465 1.00 0.00 H new ATOM 482 N ILE A 40 1.905 -6.544 5.013 1.00 0.00 N ATOM 483 CA ILE A 40 0.598 -5.996 4.676 1.00 0.00 C ATOM 484 C ILE A 40 0.260 -4.799 5.560 1.00 0.00 C ATOM 485 O ILE A 40 -0.438 -3.878 5.135 1.00 0.00 O ATOM 486 CB ILE A 40 -0.511 -7.054 4.820 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.254 -8.226 3.870 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.874 -6.435 4.549 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.565 -9.338 4.488 1.00 0.00 C ATOM 0 H ILE A 40 1.875 -7.457 5.466 1.00 0.00 H new ATOM 0 HA ILE A 40 0.649 -5.675 3.636 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.502 -7.430 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.210 -8.631 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.260 -7.857 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.647 -7.196 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.057 -5.631 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.896 -6.034 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.707 -10.134 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.536 -8.948 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.043 -9.734 5.359 1.00 0.00 H new ATOM 501 N LEU A 41 0.761 -4.819 6.790 1.00 0.00 N ATOM 502 CA LEU A 41 0.515 -3.735 7.733 1.00 0.00 C ATOM 503 C LEU A 41 1.373 -2.518 7.402 1.00 0.00 C ATOM 504 O LEU A 41 0.987 -1.382 7.676 1.00 0.00 O ATOM 505 CB LEU A 41 0.801 -4.201 9.162 1.00 0.00 C ATOM 506 CG LEU A 41 -0.066 -5.349 9.681 1.00 0.00 C ATOM 507 CD1 LEU A 41 0.659 -6.114 10.776 1.00 0.00 C ATOM 508 CD2 LEU A 41 -1.401 -4.822 10.188 1.00 0.00 C ATOM 0 H LEU A 41 1.340 -5.574 7.157 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.534 -3.449 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.846 -4.506 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.680 -3.349 9.831 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.259 -6.035 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.026 -6.927 11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.588 -6.524 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.884 -5.440 11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.005 -5.653 10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.229 -4.114 10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.927 -4.321 9.375 1.00 0.00 H new ATOM 520 N GLN A 42 2.537 -2.765 6.809 1.00 0.00 N ATOM 521 CA GLN A 42 3.448 -1.690 6.438 1.00 0.00 C ATOM 522 C GLN A 42 2.828 -0.794 5.372 1.00 0.00 C ATOM 523 O GLN A 42 2.839 0.432 5.492 1.00 0.00 O ATOM 524 CB GLN A 42 4.771 -2.266 5.931 1.00 0.00 C ATOM 525 CG GLN A 42 5.737 -2.641 7.043 1.00 0.00 C ATOM 526 CD GLN A 42 6.037 -1.481 7.972 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.036 -1.633 9.194 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.297 -0.313 7.397 1.00 0.00 N ATOM 0 H GLN A 42 2.871 -3.700 6.576 1.00 0.00 H new ATOM 0 HA GLN A 42 3.639 -1.088 7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.565 -3.149 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.248 -1.536 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.318 -3.465 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.668 -3.000 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.287 -0.232 6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.507 0.503 7.972 1.00 0.00 H new ATOM 537 N VAL A 43 2.287 -1.412 4.327 1.00 0.00 N ATOM 538 CA VAL A 43 1.660 -0.671 3.240 1.00 0.00 C ATOM 539 C VAL A 43 0.437 0.095 3.729 1.00 0.00 C ATOM 540 O VAL A 43 0.134 1.183 3.238 1.00 0.00 O ATOM 541 CB VAL A 43 1.240 -1.607 2.091 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.465 -2.186 1.398 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.338 -2.716 2.611 1.00 0.00 C ATOM 0 H VAL A 43 2.271 -2.425 4.211 1.00 0.00 H new ATOM 0 HA VAL A 43 2.403 0.036 2.870 1.00 0.00 H new ATOM 0 HB VAL A 43 0.679 -1.026 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.148 -2.845 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.069 -1.376 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.056 -2.753 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.051 -3.368 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.872 -3.296 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.556 -2.279 3.057 1.00 0.00 H new ATOM 553 N VAL A 44 -0.265 -0.480 4.702 1.00 0.00 N ATOM 554 CA VAL A 44 -1.456 0.150 5.259 1.00 0.00 C ATOM 555 C VAL A 44 -1.098 1.416 6.030 1.00 0.00 C ATOM 556 O VAL A 44 -1.854 2.387 6.033 1.00 0.00 O ATOM 557 CB VAL A 44 -2.211 -0.812 6.196 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.401 -0.110 6.835 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.658 -2.052 5.438 1.00 0.00 C ATOM 0 H VAL A 44 -0.029 -1.380 5.120 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.101 0.410 4.419 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.534 -1.124 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.923 -0.805 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.051 0.745 7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.082 0.233 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.190 -2.720 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.319 -1.761 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.786 -2.565 5.033 1.00 0.00 H new ATOM 569 N ARG A 45 0.059 1.398 6.683 1.00 0.00 N ATOM 570 CA ARG A 45 0.517 2.544 7.458 1.00 0.00 C ATOM 571 C ARG A 45 0.699 3.768 6.564 1.00 0.00 C ATOM 572 O ARG A 45 0.304 4.877 6.925 1.00 0.00 O ATOM 573 CB ARG A 45 1.833 2.217 8.165 1.00 0.00 C ATOM 574 CG ARG A 45 1.648 1.625 9.553 1.00 0.00 C ATOM 575 CD ARG A 45 1.288 2.695 10.571 1.00 0.00 C ATOM 576 NE ARG A 45 0.924 2.121 11.864 1.00 0.00 N ATOM 577 CZ ARG A 45 0.523 2.846 12.903 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.436 4.164 12.803 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.210 2.250 14.047 1.00 0.00 N ATOM 0 H ARG A 45 0.697 0.602 6.691 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.243 2.771 8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.400 1.516 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.429 3.126 8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.864 0.869 9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.565 1.122 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.133 3.372 10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.457 3.291 10.192 1.00 0.00 H new ATOM 0 HE ARG A 45 0.981 1.109 11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.677 4.626 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.128 4.717 13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.277 1.235 14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.098 2.807 14.844 1.00 0.00 H new ATOM 593 N TYR A 46 1.298 3.557 5.398 1.00 0.00 N ATOM 594 CA TYR A 46 1.535 4.643 4.454 1.00 0.00 C ATOM 595 C TYR A 46 0.223 5.303 4.043 1.00 0.00 C ATOM 596 O TYR A 46 0.102 6.528 4.052 1.00 0.00 O ATOM 597 CB TYR A 46 2.267 4.120 3.216 1.00 0.00 C ATOM 598 CG TYR A 46 2.311 5.111 2.076 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.994 6.315 2.202 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.673 4.844 0.871 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.038 7.224 1.163 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.713 5.746 -0.175 1.00 0.00 C ATOM 603 CZ TYR A 46 2.395 6.935 -0.023 1.00 0.00 C ATOM 604 OH TYR A 46 2.438 7.838 -1.061 1.00 0.00 O ATOM 0 H TYR A 46 1.628 2.645 5.083 1.00 0.00 H new ATOM 0 HA TYR A 46 2.157 5.390 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.287 3.852 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.779 3.207 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.499 6.544 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.136 3.915 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.572 8.155 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.213 5.521 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 46 3.276 8.345 -1.019 1.00 0.00 H new ATOM 614 N CYS A 47 -0.757 4.481 3.682 1.00 0.00 N ATOM 615 CA CYS A 47 -2.062 4.984 3.267 1.00 0.00 C ATOM 616 C CYS A 47 -2.786 5.648 4.433 1.00 0.00 C ATOM 617 O CYS A 47 -3.328 6.746 4.300 1.00 0.00 O ATOM 618 CB CYS A 47 -2.914 3.846 2.702 1.00 0.00 C ATOM 619 SG CYS A 47 -2.155 2.974 1.313 1.00 0.00 S ATOM 0 H CYS A 47 -0.673 3.465 3.668 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.905 5.731 2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.119 3.130 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.874 4.250 2.382 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.200 2.209 1.751 1.00 0.00 H new ATOM 625 N THR A 48 -2.792 4.973 5.580 1.00 0.00 N ATOM 626 CA THR A 48 -3.452 5.495 6.769 1.00 0.00 C ATOM 627 C THR A 48 -2.816 6.806 7.220 1.00 0.00 C ATOM 628 O THR A 48 -3.477 7.655 7.819 1.00 0.00 O ATOM 629 CB THR A 48 -3.399 4.485 7.931 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.929 3.224 7.507 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.185 4.995 9.129 1.00 0.00 C ATOM 0 H THR A 48 -2.347 4.064 5.709 1.00 0.00 H new ATOM 0 HA THR A 48 -4.493 5.673 6.500 1.00 0.00 H new ATOM 0 HB THR A 48 -2.358 4.360 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.295 2.791 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.133 4.264 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.761 5.940 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.226 5.146 8.844 1.00 0.00 H new ATOM 639 N ASP A 49 -1.529 6.963 6.930 1.00 0.00 N ATOM 640 CA ASP A 49 -0.803 8.172 7.305 1.00 0.00 C ATOM 641 C ASP A 49 -1.289 9.370 6.495 1.00 0.00 C ATOM 642 O ASP A 49 -1.252 10.507 6.967 1.00 0.00 O ATOM 643 CB ASP A 49 0.699 7.974 7.098 1.00 0.00 C ATOM 644 CG ASP A 49 1.363 7.301 8.282 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.836 7.424 9.407 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.409 6.649 8.083 1.00 0.00 O ATOM 0 H ASP A 49 -0.967 6.269 6.437 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.993 8.369 8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.863 7.373 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.169 8.942 6.923 1.00 0.00 H new ATOM 651 N LEU A 50 -1.741 9.108 5.273 1.00 0.00 N ATOM 652 CA LEU A 50 -2.233 10.165 4.396 1.00 0.00 C ATOM 653 C LEU A 50 -3.512 10.782 4.951 1.00 0.00 C ATOM 654 O LEU A 50 -3.662 12.004 4.983 1.00 0.00 O ATOM 655 CB LEU A 50 -2.486 9.613 2.993 1.00 0.00 C ATOM 656 CG LEU A 50 -1.243 9.314 2.154 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.616 8.529 0.906 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.528 10.605 1.781 1.00 0.00 C ATOM 0 H LEU A 50 -1.777 8.173 4.867 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.471 10.943 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.067 8.695 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.103 10.328 2.449 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.564 8.705 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.718 8.326 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.082 7.587 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.315 9.111 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.354 10.373 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.200 11.239 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.225 11.128 2.688 1.00 0.00 H new ATOM 670 N ILE A 51 -4.431 9.929 5.392 1.00 0.00 N ATOM 671 CA ILE A 51 -5.696 10.391 5.949 1.00 0.00 C ATOM 672 C ILE A 51 -5.470 11.265 7.178 1.00 0.00 C ATOM 673 O ILE A 51 -6.322 12.075 7.541 1.00 0.00 O ATOM 674 CB ILE A 51 -6.607 9.210 6.334 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.906 8.347 5.106 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.898 9.717 6.959 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.082 6.879 5.428 1.00 0.00 C ATOM 0 H ILE A 51 -4.323 8.915 5.374 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.185 10.979 5.173 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.088 8.595 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.811 8.716 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.094 8.458 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.530 8.870 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.667 10.293 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.423 10.352 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.291 6.328 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.169 6.494 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.913 6.756 6.123 1.00 0.00 H new ATOM 689 N GLU A 52 -4.314 11.095 7.813 1.00 0.00 N ATOM 690 CA GLU A 52 -3.975 11.870 9.001 1.00 0.00 C ATOM 691 C GLU A 52 -3.571 13.293 8.625 1.00 0.00 C ATOM 692 O GLU A 52 -3.697 14.217 9.429 1.00 0.00 O ATOM 693 CB GLU A 52 -2.840 11.193 9.772 1.00 0.00 C ATOM 694 CG GLU A 52 -3.225 9.850 10.368 1.00 0.00 C ATOM 695 CD GLU A 52 -4.487 9.925 11.207 1.00 0.00 C ATOM 696 OE1 GLU A 52 -4.700 10.964 11.866 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.260 8.944 11.203 1.00 0.00 O ATOM 0 H GLU A 52 -3.598 10.428 7.525 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.859 11.917 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.990 11.054 9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.511 11.855 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.370 9.128 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.405 9.481 10.984 1.00 0.00 H new ATOM 704 N GLU A 53 -3.084 13.461 7.399 1.00 0.00 N ATOM 705 CA GLU A 53 -2.661 14.770 6.918 1.00 0.00 C ATOM 706 C GLU A 53 -3.602 15.280 5.830 1.00 0.00 C ATOM 707 O GLU A 53 -3.286 16.233 5.116 1.00 0.00 O ATOM 708 CB GLU A 53 -1.230 14.702 6.380 1.00 0.00 C ATOM 709 CG GLU A 53 -1.010 13.582 5.378 1.00 0.00 C ATOM 710 CD GLU A 53 0.359 13.643 4.727 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.569 14.524 3.868 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.220 12.808 5.077 1.00 0.00 O ATOM 0 H GLU A 53 -2.973 12.707 6.722 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.693 15.465 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.982 15.653 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.542 14.571 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.127 12.622 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.778 13.634 4.606 1.00 0.00 H new ATOM 719 N LYS A 54 -4.759 14.639 5.708 1.00 0.00 N ATOM 720 CA LYS A 54 -5.747 15.026 4.709 1.00 0.00 C ATOM 721 C LYS A 54 -5.210 14.806 3.298 1.00 0.00 C ATOM 722 O LYS A 54 -5.771 15.308 2.325 1.00 0.00 O ATOM 723 CB LYS A 54 -6.141 16.494 4.893 1.00 0.00 C ATOM 724 CG LYS A 54 -6.382 16.883 6.341 1.00 0.00 C ATOM 725 CD LYS A 54 -7.671 17.671 6.500 1.00 0.00 C ATOM 726 CE LYS A 54 -7.860 18.149 7.931 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.468 19.507 7.986 1.00 0.00 N ATOM 0 H LYS A 54 -5.036 13.848 6.290 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.629 14.399 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.354 17.127 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.044 16.694 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.425 15.985 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.544 17.478 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.659 18.529 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.517 17.049 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.495 17.445 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.896 18.162 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.580 19.797 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.850 20.184 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.399 19.490 7.523 1.00 0.00 H new ATOM 741 N ASP A 55 -4.122 14.051 3.197 1.00 0.00 N ATOM 742 CA ASP A 55 -3.510 13.762 1.904 1.00 0.00 C ATOM 743 C ASP A 55 -3.964 12.404 1.380 1.00 0.00 C ATOM 744 O ASP A 55 -3.239 11.738 0.638 1.00 0.00 O ATOM 745 CB ASP A 55 -1.985 13.794 2.019 1.00 0.00 C ATOM 746 CG ASP A 55 -1.307 13.973 0.676 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.860 14.698 -0.178 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.222 13.388 0.476 1.00 0.00 O ATOM 0 H ASP A 55 -3.645 13.628 3.994 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.830 14.529 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.691 14.607 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.639 12.868 2.477 1.00 0.00 H new ATOM 753 N LEU A 56 -5.167 11.997 1.770 1.00 0.00 N ATOM 754 CA LEU A 56 -5.719 10.717 1.340 1.00 0.00 C ATOM 755 C LEU A 56 -6.034 10.733 -0.152 1.00 0.00 C ATOM 756 O LEU A 56 -6.327 9.696 -0.745 1.00 0.00 O ATOM 757 CB LEU A 56 -6.984 10.391 2.136 1.00 0.00 C ATOM 758 CG LEU A 56 -7.887 11.577 2.476 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.192 12.391 1.228 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.175 11.097 3.129 1.00 0.00 C ATOM 0 H LEU A 56 -5.779 12.535 2.383 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.971 9.946 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.568 9.666 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.689 9.906 3.067 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.361 12.218 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.836 13.231 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.262 12.766 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.698 11.760 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.805 11.955 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.705 10.434 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.939 10.558 4.047 1.00 0.00 H new ATOM 772 N GLU A 57 -5.968 11.918 -0.752 1.00 0.00 N ATOM 773 CA GLU A 57 -6.246 12.067 -2.176 1.00 0.00 C ATOM 774 C GLU A 57 -5.408 11.093 -2.999 1.00 0.00 C ATOM 775 O GLU A 57 -5.883 10.524 -3.983 1.00 0.00 O ATOM 776 CB GLU A 57 -5.964 13.503 -2.625 1.00 0.00 C ATOM 777 CG GLU A 57 -7.064 14.483 -2.255 1.00 0.00 C ATOM 778 CD GLU A 57 -8.108 14.629 -3.345 1.00 0.00 C ATOM 779 OE1 GLU A 57 -8.368 13.633 -4.053 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.665 15.736 -3.491 1.00 0.00 O ATOM 0 H GLU A 57 -5.725 12.786 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.300 11.842 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.027 13.837 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.826 13.516 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.548 14.150 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.622 15.458 -2.048 1.00 0.00 H new ATOM 787 N LYS A 58 -4.158 10.904 -2.590 1.00 0.00 N ATOM 788 CA LYS A 58 -3.253 9.998 -3.287 1.00 0.00 C ATOM 789 C LYS A 58 -3.659 8.545 -3.066 1.00 0.00 C ATOM 790 O LYS A 58 -3.611 7.729 -3.987 1.00 0.00 O ATOM 791 CB LYS A 58 -1.815 10.214 -2.809 1.00 0.00 C ATOM 792 CG LYS A 58 -1.424 11.678 -2.700 1.00 0.00 C ATOM 793 CD LYS A 58 -1.676 12.422 -4.000 1.00 0.00 C ATOM 794 CE LYS A 58 -2.888 13.334 -3.894 1.00 0.00 C ATOM 795 NZ LYS A 58 -2.703 14.594 -4.666 1.00 0.00 N ATOM 0 H LYS A 58 -3.748 11.367 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.313 10.215 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.689 9.740 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.133 9.715 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.990 12.148 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.370 11.755 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.797 13.012 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.828 11.705 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.770 12.810 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.072 13.573 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.551 15.189 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.876 15.107 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.553 14.367 -5.670 1.00 0.00 H new ATOM 809 N LEU A 59 -4.063 8.228 -1.840 1.00 0.00 N ATOM 810 CA LEU A 59 -4.480 6.873 -1.498 1.00 0.00 C ATOM 811 C LEU A 59 -5.614 6.408 -2.407 1.00 0.00 C ATOM 812 O LEU A 59 -5.584 5.294 -2.933 1.00 0.00 O ATOM 813 CB LEU A 59 -4.925 6.809 -0.036 1.00 0.00 C ATOM 814 CG LEU A 59 -5.843 5.644 0.336 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.140 4.316 0.104 1.00 0.00 C ATOM 816 CD2 LEU A 59 -6.299 5.765 1.782 1.00 0.00 C ATOM 0 H LEU A 59 -4.110 8.891 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.627 6.209 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.035 6.759 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.436 7.740 0.209 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.724 5.681 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.808 3.498 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.866 4.228 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.241 4.268 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.951 4.927 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.430 5.754 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.843 6.700 1.915 1.00 0.00 H new ATOM 828 N ASP A 60 -6.610 7.268 -2.590 1.00 0.00 N ATOM 829 CA ASP A 60 -7.752 6.945 -3.438 1.00 0.00 C ATOM 830 C ASP A 60 -7.290 6.446 -4.804 1.00 0.00 C ATOM 831 O ASP A 60 -7.889 5.537 -5.379 1.00 0.00 O ATOM 832 CB ASP A 60 -8.651 8.171 -3.606 1.00 0.00 C ATOM 833 CG ASP A 60 -9.763 7.940 -4.610 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.600 7.042 -4.375 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.798 8.657 -5.632 1.00 0.00 O ATOM 0 H ASP A 60 -6.650 8.193 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.320 6.151 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.085 8.434 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.047 9.020 -3.926 1.00 0.00 H new ATOM 840 N LEU A 61 -6.224 7.047 -5.319 1.00 0.00 N ATOM 841 CA LEU A 61 -5.682 6.666 -6.617 1.00 0.00 C ATOM 842 C LEU A 61 -4.885 5.369 -6.515 1.00 0.00 C ATOM 843 O LEU A 61 -4.807 4.598 -7.472 1.00 0.00 O ATOM 844 CB LEU A 61 -4.793 7.781 -7.169 1.00 0.00 C ATOM 845 CG LEU A 61 -5.311 9.208 -6.981 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.225 10.219 -7.314 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.545 9.445 -7.839 1.00 0.00 C ATOM 0 H LEU A 61 -5.717 7.802 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.518 6.506 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.814 7.706 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.646 7.607 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.590 9.338 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.612 11.228 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.370 10.064 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.913 10.090 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.900 10.465 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.292 9.296 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.328 8.744 -7.551 1.00 0.00 H new ATOM 859 N VAL A 62 -4.295 5.134 -5.348 1.00 0.00 N ATOM 860 CA VAL A 62 -3.507 3.929 -5.119 1.00 0.00 C ATOM 861 C VAL A 62 -4.391 2.687 -5.108 1.00 0.00 C ATOM 862 O VAL A 62 -4.003 1.632 -5.610 1.00 0.00 O ATOM 863 CB VAL A 62 -2.735 4.007 -3.788 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.941 2.730 -3.554 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.821 5.223 -3.774 1.00 0.00 C ATOM 0 H VAL A 62 -4.348 5.762 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.794 3.857 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.455 4.112 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.403 2.804 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.622 1.880 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.229 2.590 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.283 5.263 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.107 5.151 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.417 6.128 -3.891 1.00 0.00 H new ATOM 875 N ILE A 63 -5.582 2.820 -4.533 1.00 0.00 N ATOM 876 CA ILE A 63 -6.522 1.709 -4.459 1.00 0.00 C ATOM 877 C ILE A 63 -6.863 1.183 -5.849 1.00 0.00 C ATOM 878 O ILE A 63 -7.066 -0.016 -6.039 1.00 0.00 O ATOM 879 CB ILE A 63 -7.824 2.120 -3.745 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.520 2.617 -2.330 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.797 0.952 -3.705 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.783 1.605 -1.480 1.00 0.00 C ATOM 0 H ILE A 63 -5.918 3.686 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.034 0.921 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.287 2.934 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.925 3.528 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.456 2.881 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.712 1.258 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.033 0.640 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.344 0.120 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.601 2.025 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.385 0.701 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.831 1.359 -1.951 1.00 0.00 H new ATOM 894 N LYS A 64 -6.922 2.088 -6.820 1.00 0.00 N ATOM 895 CA LYS A 64 -7.235 1.717 -8.195 1.00 0.00 C ATOM 896 C LYS A 64 -6.058 0.996 -8.845 1.00 0.00 C ATOM 897 O LYS A 64 -6.241 0.171 -9.741 1.00 0.00 O ATOM 898 CB LYS A 64 -7.597 2.960 -9.011 1.00 0.00 C ATOM 899 CG LYS A 64 -8.631 3.848 -8.339 1.00 0.00 C ATOM 900 CD LYS A 64 -9.232 4.842 -9.319 1.00 0.00 C ATOM 901 CE LYS A 64 -8.319 6.039 -9.529 1.00 0.00 C ATOM 902 NZ LYS A 64 -8.537 6.677 -10.857 1.00 0.00 N ATOM 0 H LYS A 64 -6.757 3.085 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.089 1.040 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.693 3.542 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.976 2.648 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.422 3.230 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.168 4.386 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.413 4.349 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.199 5.181 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.494 6.772 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.280 5.722 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.896 7.489 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.346 5.986 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.522 7.003 -10.928 1.00 0.00 H new ATOM 916 N TYR A 65 -4.851 1.309 -8.386 1.00 0.00 N ATOM 917 CA TYR A 65 -3.645 0.691 -8.923 1.00 0.00 C ATOM 918 C TYR A 65 -3.409 -0.679 -8.294 1.00 0.00 C ATOM 919 O TYR A 65 -2.933 -1.603 -8.953 1.00 0.00 O ATOM 920 CB TYR A 65 -2.434 1.592 -8.681 1.00 0.00 C ATOM 921 CG TYR A 65 -1.354 1.451 -9.730 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.632 1.663 -11.074 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.055 1.107 -9.377 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.650 1.535 -12.037 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.935 0.978 -10.332 1.00 0.00 C ATOM 926 CZ TYR A 65 0.633 1.192 -11.660 1.00 0.00 C ATOM 927 OH TYR A 65 1.615 1.065 -12.615 1.00 0.00 O ATOM 0 H TYR A 65 -4.682 1.987 -7.643 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.782 0.559 -9.996 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.765 2.630 -8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.011 1.363 -7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.634 1.933 -11.372 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.185 0.937 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.884 1.702 -13.078 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.940 0.711 -10.040 1.00 0.00 H new ATOM 0 HH TYR A 65 2.461 0.820 -12.184 1.00 0.00 H new ATOM 937 N MET A 66 -3.745 -0.801 -7.014 1.00 0.00 N ATOM 938 CA MET A 66 -3.571 -2.058 -6.296 1.00 0.00 C ATOM 939 C MET A 66 -4.633 -3.073 -6.710 1.00 0.00 C ATOM 940 O MET A 66 -4.343 -4.258 -6.872 1.00 0.00 O ATOM 941 CB MET A 66 -3.638 -1.820 -4.786 1.00 0.00 C ATOM 942 CG MET A 66 -2.302 -1.435 -4.172 1.00 0.00 C ATOM 943 SD MET A 66 -2.274 -1.645 -2.381 1.00 0.00 S ATOM 944 CE MET A 66 -3.322 -0.288 -1.864 1.00 0.00 C ATOM 0 H MET A 66 -4.139 -0.045 -6.453 1.00 0.00 H new ATOM 0 HA MET A 66 -2.591 -2.461 -6.551 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.363 -1.032 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.005 -2.724 -4.300 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.514 -2.042 -4.617 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.081 -0.396 -4.416 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.058 -0.650 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.712 0.487 -1.399 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.835 0.126 -2.732 1.00 0.00 H new ATOM 954 N LYS A 67 -5.863 -2.599 -6.880 1.00 0.00 N ATOM 955 CA LYS A 67 -6.967 -3.464 -7.276 1.00 0.00 C ATOM 956 C LYS A 67 -6.732 -4.044 -8.667 1.00 0.00 C ATOM 957 O LYS A 67 -7.101 -5.185 -8.945 1.00 0.00 O ATOM 958 CB LYS A 67 -8.285 -2.685 -7.253 1.00 0.00 C ATOM 959 CG LYS A 67 -8.393 -1.639 -8.349 1.00 0.00 C ATOM 960 CD LYS A 67 -9.741 -0.940 -8.320 1.00 0.00 C ATOM 961 CE LYS A 67 -10.850 -1.844 -8.839 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.777 -2.018 -10.316 1.00 0.00 N ATOM 0 H LYS A 67 -6.120 -1.620 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.025 -4.287 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.114 -3.387 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.392 -2.197 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.598 -0.903 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.248 -2.112 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.970 -0.631 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.695 -0.034 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.781 -2.818 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.818 -1.422 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.652 -2.465 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.663 -1.089 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.965 -2.622 -10.555 1.00 0.00 H new ATOM 976 N ARG A 68 -6.115 -3.252 -9.537 1.00 0.00 N ATOM 977 CA ARG A 68 -5.831 -3.687 -10.899 1.00 0.00 C ATOM 978 C ARG A 68 -4.585 -4.568 -10.940 1.00 0.00 C ATOM 979 O ARG A 68 -4.461 -5.447 -11.794 1.00 0.00 O ATOM 980 CB ARG A 68 -5.643 -2.477 -11.816 1.00 0.00 C ATOM 981 CG ARG A 68 -4.417 -1.643 -11.480 1.00 0.00 C ATOM 982 CD ARG A 68 -4.189 -0.549 -12.510 1.00 0.00 C ATOM 983 NE ARG A 68 -3.568 -1.063 -13.728 1.00 0.00 N ATOM 984 CZ ARG A 68 -3.058 -0.287 -14.679 1.00 0.00 C ATOM 985 NH1 ARG A 68 -3.093 1.032 -14.552 1.00 0.00 N ATOM 986 NH2 ARG A 68 -2.509 -0.831 -15.758 1.00 0.00 N ATOM 0 H ARG A 68 -5.802 -2.305 -9.323 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.681 -4.272 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.566 -2.822 -12.847 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.529 -1.845 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.539 -1.196 -10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.539 -2.287 -11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.142 -0.081 -12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.556 0.227 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.523 -2.074 -13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.512 1.454 -13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.701 1.625 -15.283 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.478 -1.846 -15.858 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.118 -0.234 -16.487 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.666 -4.325 -10.012 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.429 -5.095 -9.942 1.00 0.00 C ATOM 1002 C LEU A 69 -2.676 -6.466 -9.320 1.00 0.00 C ATOM 1003 O LEU A 69 -2.363 -7.495 -9.918 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.378 -4.336 -9.129 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.607 -3.249 -9.878 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.321 -2.505 -8.932 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.177 -3.852 -11.034 1.00 0.00 C ATOM 0 H LEU A 69 -3.754 -3.602 -9.298 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.061 -5.238 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.872 -3.878 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.661 -5.057 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.324 -2.536 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.861 -1.735 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.264 -2.040 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.033 -3.205 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.720 -3.064 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.885 -4.587 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.511 -4.338 -11.726 1.00 0.00 H new ATOM 1019 N MET A 70 -3.241 -6.472 -8.117 1.00 0.00 N ATOM 1020 CA MET A 70 -3.534 -7.717 -7.416 1.00 0.00 C ATOM 1021 C MET A 70 -4.406 -8.630 -8.272 1.00 0.00 C ATOM 1022 O MET A 70 -4.389 -9.851 -8.109 1.00 0.00 O ATOM 1023 CB MET A 70 -4.231 -7.427 -6.086 1.00 0.00 C ATOM 1024 CG MET A 70 -3.275 -7.323 -4.909 1.00 0.00 C ATOM 1025 SD MET A 70 -2.311 -5.799 -4.929 1.00 0.00 S ATOM 1026 CE MET A 70 -2.053 -5.538 -3.176 1.00 0.00 C ATOM 0 H MET A 70 -3.505 -5.629 -7.607 1.00 0.00 H new ATOM 0 HA MET A 70 -2.590 -8.225 -7.219 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.789 -6.495 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.956 -8.216 -5.886 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.842 -7.377 -3.980 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.598 -8.177 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.016 -5.251 -3.000 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.714 -4.745 -2.825 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.272 -6.459 -2.635 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.168 -8.032 -9.182 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.047 -8.792 -10.062 1.00 0.00 C ATOM 1038 C GLN A 71 -5.245 -9.751 -10.936 1.00 0.00 C ATOM 1039 O GLN A 71 -5.622 -10.910 -11.110 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.867 -7.847 -10.941 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.215 -7.475 -10.343 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.256 -8.561 -10.531 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.973 -9.746 -10.357 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.470 -8.160 -10.890 1.00 0.00 N ATOM 0 H GLN A 71 -5.194 -7.023 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.725 -9.376 -9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.293 -6.937 -11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.027 -8.315 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.093 -7.274 -9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.570 -6.553 -10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.660 -7.167 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.212 -8.845 -11.032 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.138 -9.260 -11.485 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.285 -10.073 -12.343 1.00 0.00 C ATOM 1055 C GLN A 72 -2.807 -11.321 -11.609 1.00 0.00 C ATOM 1056 O GLN A 72 -2.452 -12.321 -12.232 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.083 -9.257 -12.822 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.959 -9.174 -11.803 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.269 -7.823 -11.804 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.878 -6.803 -12.131 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.007 -7.810 -11.436 1.00 0.00 N ATOM 0 H GLN A 72 -3.811 -8.303 -11.351 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.872 -10.384 -13.207 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.697 -9.699 -13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.414 -8.248 -13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.360 -9.372 -10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.225 -9.953 -12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.471 -8.680 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.523 -6.930 -11.416 1.00 0.00 H new ATOM 1070 N SER A 73 -2.800 -11.254 -10.281 1.00 0.00 N ATOM 1071 CA SER A 73 -2.362 -12.379 -9.462 1.00 0.00 C ATOM 1072 C SER A 73 -3.535 -13.291 -9.120 1.00 0.00 C ATOM 1073 O SER A 73 -4.666 -12.834 -8.957 1.00 0.00 O ATOM 1074 CB SER A 73 -1.702 -11.874 -8.177 1.00 0.00 C ATOM 1075 OG SER A 73 -0.551 -11.100 -8.464 1.00 0.00 O ATOM 0 H SER A 73 -3.092 -10.434 -9.750 1.00 0.00 H new ATOM 0 HA SER A 73 -1.634 -12.953 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.415 -11.275 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.427 -12.721 -7.549 1.00 0.00 H new ATOM 0 HG SER A 73 -0.149 -10.788 -7.626 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.257 -14.587 -9.013 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.287 -15.566 -8.690 1.00 0.00 C ATOM 1083 C VAL A 74 -4.172 -16.027 -7.241 1.00 0.00 C ATOM 1084 O VAL A 74 -5.133 -16.534 -6.663 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.205 -16.795 -9.615 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.264 -16.369 -11.074 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.938 -17.589 -9.335 1.00 0.00 C ATOM 0 H VAL A 74 -2.326 -14.983 -9.146 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.248 -15.073 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.062 -17.438 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.205 -17.250 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.202 -15.846 -11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.428 -15.705 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.897 -18.454 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.067 -16.957 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.941 -17.926 -8.298 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.990 -15.846 -6.660 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.751 -16.245 -5.278 1.00 0.00 C ATOM 1099 C GLU A 75 -3.779 -15.614 -4.344 1.00 0.00 C ATOM 1100 O GLU A 75 -4.088 -14.428 -4.455 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.338 -15.842 -4.845 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.260 -16.248 -5.835 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.401 -17.686 -6.296 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.605 -18.567 -5.435 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.310 -17.931 -7.517 1.00 0.00 O ATOM 0 H GLU A 75 -2.184 -15.426 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.848 -17.329 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.304 -14.761 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.120 -16.295 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.300 -15.587 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.719 -16.112 -5.376 1.00 0.00 H new ATOM 1112 N SER A 76 -4.305 -16.417 -3.425 1.00 0.00 N ATOM 1113 CA SER A 76 -5.303 -15.940 -2.473 1.00 0.00 C ATOM 1114 C SER A 76 -4.690 -14.938 -1.501 1.00 0.00 C ATOM 1115 O SER A 76 -5.373 -14.045 -0.997 1.00 0.00 O ATOM 1116 CB SER A 76 -5.905 -17.115 -1.701 1.00 0.00 C ATOM 1117 OG SER A 76 -6.136 -18.222 -2.556 1.00 0.00 O ATOM 0 H SER A 76 -4.057 -17.401 -3.319 1.00 0.00 H new ATOM 0 HA SER A 76 -6.094 -15.440 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.232 -17.408 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.842 -16.808 -1.237 1.00 0.00 H new ATOM 0 HG SER A 76 -6.519 -18.961 -2.038 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.396 -15.092 -1.239 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.688 -14.200 -0.328 1.00 0.00 C ATOM 1125 C VAL A 77 -2.812 -12.748 -0.774 1.00 0.00 C ATOM 1126 O VAL A 77 -2.997 -11.850 0.048 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.197 -14.571 -0.225 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.556 -14.591 -1.605 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.470 -13.601 0.694 1.00 0.00 C ATOM 0 H VAL A 77 -2.816 -15.827 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.151 -14.315 0.652 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.117 -15.571 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.498 -14.855 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.061 -15.327 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.644 -13.605 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.583 -13.878 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.557 -12.589 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.914 -13.640 1.689 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.707 -12.525 -2.078 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.807 -11.180 -2.634 1.00 0.00 C ATOM 1141 C TRP A 78 -4.255 -10.704 -2.649 1.00 0.00 C ATOM 1142 O TRP A 78 -4.555 -9.586 -2.231 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.231 -11.147 -4.050 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.738 -11.017 -4.081 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.156 -11.954 -4.511 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.032 -9.884 -3.665 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.438 -11.473 -4.387 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.389 -10.205 -3.871 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.292 -8.630 -3.141 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.417 -9.317 -3.568 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.731 -7.750 -2.841 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.072 -8.096 -3.056 1.00 0.00 C ATOM 0 H TRP A 78 -2.553 -13.257 -2.771 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.230 -10.507 -2.000 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.520 -12.058 -4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.673 -10.313 -4.595 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.105 -12.930 -4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.288 -11.978 -4.638 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.322 -8.353 -2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.451 -9.582 -3.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.493 -6.779 -2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.848 -7.385 -2.813 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.151 -11.559 -3.133 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.567 -11.224 -3.203 1.00 0.00 C ATOM 1165 C ASN A 79 -7.109 -10.859 -1.824 1.00 0.00 C ATOM 1166 O ASN A 79 -7.814 -9.863 -1.666 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.362 -12.397 -3.780 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.184 -12.534 -5.280 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.784 -11.793 -6.058 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.354 -13.487 -5.692 1.00 0.00 N ATOM 0 H ASN A 79 -4.920 -12.489 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.678 -10.360 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.047 -13.320 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.420 -12.262 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.193 -13.627 -6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.878 -14.078 -5.011 1.00 0.00 H new ATOM 1177 N MET A 80 -6.773 -11.672 -0.828 1.00 0.00 N ATOM 1178 CA MET A 80 -7.223 -11.433 0.539 1.00 0.00 C ATOM 1179 C MET A 80 -6.496 -10.240 1.150 1.00 0.00 C ATOM 1180 O MET A 80 -7.063 -9.502 1.955 1.00 0.00 O ATOM 1181 CB MET A 80 -6.996 -12.678 1.398 1.00 0.00 C ATOM 1182 CG MET A 80 -7.841 -13.870 0.978 1.00 0.00 C ATOM 1183 SD MET A 80 -8.105 -15.043 2.320 1.00 0.00 S ATOM 1184 CE MET A 80 -9.313 -14.164 3.307 1.00 0.00 C ATOM 0 H MET A 80 -6.191 -12.502 -0.941 1.00 0.00 H new ATOM 0 HA MET A 80 -8.290 -11.210 0.510 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.943 -12.955 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.215 -12.436 2.438 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.806 -13.516 0.615 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.355 -14.380 0.146 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.008 -14.178 4.353 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.382 -13.132 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.285 -14.646 3.206 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.239 -10.056 0.762 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.436 -8.951 1.270 1.00 0.00 C ATOM 1196 C ALA A 81 -5.061 -7.608 0.910 1.00 0.00 C ATOM 1197 O ALA A 81 -5.242 -6.746 1.771 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.017 -9.037 0.729 1.00 0.00 C ATOM 0 H ALA A 81 -4.754 -10.658 0.097 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.404 -9.028 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.429 -8.205 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.565 -9.978 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.039 -8.989 -0.360 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.388 -7.435 -0.365 1.00 0.00 N ATOM 1205 CA PHE A 82 -5.991 -6.195 -0.839 1.00 0.00 C ATOM 1206 C PHE A 82 -7.281 -5.893 -0.081 1.00 0.00 C ATOM 1207 O PHE A 82 -7.482 -4.778 0.401 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.278 -6.283 -2.340 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.086 -5.130 -2.865 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.678 -3.824 -2.644 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.252 -5.352 -3.579 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.420 -2.762 -3.125 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.998 -4.294 -4.062 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.580 -2.997 -3.837 1.00 0.00 C ATOM 0 H PHE A 82 -5.246 -8.138 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.285 -5.385 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.333 -6.330 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.809 -7.212 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.771 -3.634 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.582 -6.364 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.093 -1.749 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.907 -4.481 -4.615 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.159 -2.168 -4.217 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.149 -6.893 0.020 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.419 -6.735 0.720 1.00 0.00 C ATOM 1226 C ASP A 83 -9.200 -6.173 2.121 1.00 0.00 C ATOM 1227 O ASP A 83 -9.966 -5.329 2.588 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.150 -8.076 0.802 1.00 0.00 C ATOM 1229 CG ASP A 83 -10.529 -8.614 -0.564 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -10.551 -7.821 -1.528 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -10.806 -9.827 -0.668 1.00 0.00 O ATOM 0 H ASP A 83 -7.997 -7.822 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.032 -6.030 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.516 -8.801 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.050 -7.959 1.406 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.153 -6.647 2.787 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.835 -6.195 4.136 1.00 0.00 C ATOM 1238 C PHE A 84 -7.216 -4.800 4.109 1.00 0.00 C ATOM 1239 O PHE A 84 -7.670 -3.894 4.808 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.878 -7.176 4.815 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.642 -6.876 6.267 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.473 -7.405 7.242 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.588 -6.066 6.658 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.258 -7.129 8.580 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.368 -5.787 7.994 1.00 0.00 C ATOM 1246 CZ PHE A 84 -6.203 -6.320 8.955 1.00 0.00 C ATOM 0 H PHE A 84 -7.509 -7.345 2.414 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.763 -6.152 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.279 -8.185 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.923 -7.162 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.298 -8.040 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.931 -5.648 5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.914 -7.545 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.544 -5.153 8.285 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.032 -6.105 9.999 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.176 -4.637 3.298 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.495 -3.353 3.181 1.00 0.00 C ATOM 1258 C ILE A 85 -6.484 -2.230 2.896 1.00 0.00 C ATOM 1259 O ILE A 85 -6.565 -1.254 3.643 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.432 -3.381 2.066 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.384 -4.457 2.357 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.774 -2.016 1.928 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.722 -5.008 1.113 1.00 0.00 C ATOM 0 H ILE A 85 -5.787 -5.377 2.713 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.004 -3.167 4.136 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.922 -3.624 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.619 -4.040 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.856 -5.275 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.025 -2.051 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.530 -1.271 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.295 -1.746 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.991 -5.766 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.477 -5.455 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.220 -4.200 0.580 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.238 -2.373 1.812 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.227 -1.370 1.428 1.00 0.00 C ATOM 1277 C LEU A 86 -9.265 -1.182 2.529 1.00 0.00 C ATOM 1278 O LEU A 86 -9.739 -0.069 2.764 1.00 0.00 O ATOM 1279 CB LEU A 86 -8.915 -1.777 0.124 1.00 0.00 C ATOM 1280 CG LEU A 86 -9.982 -2.866 0.240 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.348 -2.250 0.499 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.011 -3.721 -1.018 1.00 0.00 C ATOM 0 H LEU A 86 -7.184 -3.174 1.183 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.710 -0.423 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.375 -0.891 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.151 -2.117 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.729 -3.506 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.094 -3.040 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.321 -1.682 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.610 -1.586 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.776 -4.491 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.239 -3.093 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.039 -4.193 -1.160 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.614 -2.273 3.200 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.595 -2.227 4.277 1.00 0.00 C ATOM 1296 C ASP A 87 -10.063 -1.427 5.463 1.00 0.00 C ATOM 1297 O ASP A 87 -10.826 -0.785 6.183 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.959 -3.645 4.725 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.828 -3.654 5.967 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.047 -3.415 5.841 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.289 -3.900 7.066 1.00 0.00 O ATOM 0 H ASP A 87 -9.232 -3.201 3.017 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.490 -1.732 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.481 -4.156 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.046 -4.207 4.920 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.749 -1.473 5.659 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.115 -0.753 6.758 1.00 0.00 C ATOM 1308 C ASN A 88 -8.138 0.752 6.507 1.00 0.00 C ATOM 1309 O ASN A 88 -8.466 1.535 7.398 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.673 -1.229 6.942 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.580 -2.465 7.818 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.731 -2.546 8.705 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.454 -3.432 7.570 1.00 0.00 N ATOM 0 H ASN A 88 -8.103 -2.001 5.072 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.678 -0.960 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.237 -1.444 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.082 -0.427 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.440 -4.287 8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.140 -3.320 6.824 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.786 1.148 5.288 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.768 2.559 4.920 1.00 0.00 C ATOM 1322 C VAL A 89 -9.183 3.109 4.778 1.00 0.00 C ATOM 1323 O VAL A 89 -9.426 4.290 5.024 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.008 2.783 3.598 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.560 2.339 3.733 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.695 2.049 2.457 1.00 0.00 C ATOM 0 H VAL A 89 -7.510 0.513 4.539 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.254 3.089 5.722 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.017 3.849 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.039 2.505 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.075 2.915 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.526 1.279 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.145 2.219 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.720 0.981 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.714 2.421 2.346 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.111 2.245 4.383 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.503 2.644 4.210 1.00 0.00 C ATOM 1338 C GLN A 90 -12.198 2.793 5.559 1.00 0.00 C ATOM 1339 O GLN A 90 -13.074 3.642 5.728 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.247 1.621 3.349 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.865 1.672 1.879 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.584 2.774 1.127 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.615 2.539 0.495 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.043 3.985 1.189 1.00 0.00 N ATOM 0 H GLN A 90 -9.925 1.264 4.176 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.517 3.610 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.047 0.621 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.320 1.790 3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.789 1.821 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.093 0.712 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.188 4.135 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.483 4.766 0.701 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.803 1.962 6.518 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.388 2.002 7.853 1.00 0.00 C ATOM 1355 C VAL A 91 -11.878 3.204 8.641 1.00 0.00 C ATOM 1356 O VAL A 91 -12.660 3.950 9.230 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.076 0.715 8.641 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.318 0.928 10.127 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.907 -0.445 8.117 1.00 0.00 C ATOM 0 H VAL A 91 -11.080 1.253 6.395 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.467 2.088 7.724 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.023 0.469 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.093 0.009 10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.674 1.729 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.361 1.199 10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.674 -1.346 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.966 -0.212 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.678 -0.610 7.064 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.562 3.387 8.646 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.947 4.498 9.360 1.00 0.00 C ATOM 1371 C VAL A 92 -10.567 5.827 8.946 1.00 0.00 C ATOM 1372 O VAL A 92 -10.867 6.675 9.787 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.427 4.554 9.112 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.132 4.574 7.620 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.820 5.767 9.800 1.00 0.00 C ATOM 0 H VAL A 92 -9.901 2.779 8.163 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.128 4.330 10.422 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.973 3.659 9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.054 4.614 7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.533 3.672 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.597 5.451 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.746 5.791 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.277 6.675 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.002 5.705 10.873 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.760 6.004 7.643 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.345 7.231 7.116 1.00 0.00 C ATOM 1387 C LEU A 93 -12.846 7.278 7.385 1.00 0.00 C ATOM 1388 O LEU A 93 -13.435 8.353 7.484 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.084 7.339 5.612 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.167 6.764 4.699 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.219 7.818 4.389 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.551 6.229 3.414 1.00 0.00 C ATOM 0 H LEU A 93 -10.520 5.313 6.933 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.876 8.074 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.947 8.391 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.144 6.834 5.390 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.652 5.938 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.982 7.390 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.681 8.155 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.749 8.665 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.336 5.823 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.040 7.038 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.835 5.442 3.654 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.457 6.104 7.507 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.888 6.011 7.769 1.00 0.00 C ATOM 1406 C GLN A 94 -15.221 6.518 9.168 1.00 0.00 C ATOM 1407 O GLN A 94 -16.345 6.941 9.435 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.365 4.567 7.611 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.764 4.324 8.153 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.239 2.902 7.928 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.357 2.675 7.464 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.391 1.935 8.258 1.00 0.00 N ATOM 0 H GLN A 94 -12.983 5.204 7.429 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.405 6.639 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.343 4.300 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.666 3.905 8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.779 4.543 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.459 5.015 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.474 2.169 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.656 0.958 8.130 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.235 6.471 10.058 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.423 6.926 11.431 1.00 0.00 C ATOM 1423 C GLN A 95 -14.339 8.446 11.519 1.00 0.00 C ATOM 1424 O GLN A 95 -15.035 9.072 12.318 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.377 6.291 12.349 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.301 4.777 12.230 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.884 4.110 13.526 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.723 3.770 14.360 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.582 3.918 13.702 1.00 0.00 N ATOM 0 H GLN A 95 -13.298 6.123 9.853 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.417 6.617 11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.399 6.715 12.119 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.604 6.555 13.382 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.273 4.391 11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.592 4.513 11.445 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.921 4.215 12.984 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.243 3.473 14.555 1.00 0.00 H new ATOM 1438 N THR A 96 -13.481 9.034 10.691 1.00 0.00 N ATOM 1439 CA THR A 96 -13.303 10.481 10.676 1.00 0.00 C ATOM 1440 C THR A 96 -14.314 11.149 9.751 1.00 0.00 C ATOM 1441 O THR A 96 -14.749 12.274 9.998 1.00 0.00 O ATOM 1442 CB THR A 96 -11.882 10.868 10.229 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.641 12.253 10.503 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.689 10.600 8.744 1.00 0.00 C ATOM 0 H THR A 96 -12.898 8.530 10.022 1.00 0.00 H new ATOM 0 HA THR A 96 -13.462 10.829 11.697 1.00 0.00 H new ATOM 0 HB THR A 96 -11.172 10.258 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.734 12.490 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.677 10.881 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.843 9.540 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.408 11.186 8.172 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.686 10.449 8.685 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.645 10.976 7.721 1.00 0.00 C ATOM 1454 C TYR A 97 -17.052 10.460 8.014 1.00 0.00 C ATOM 1455 O TYR A 97 -17.994 11.239 8.154 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.236 10.589 6.298 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.106 11.428 5.745 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.335 12.717 5.280 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.809 10.932 5.687 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.307 13.487 4.774 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.774 11.695 5.182 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.028 12.972 4.727 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.000 13.735 4.223 1.00 0.00 O ATOM 0 H TYR A 97 -14.338 9.515 8.467 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.649 12.062 7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.938 9.540 6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.101 10.682 5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.335 13.124 5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.607 9.933 6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.503 14.487 4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.772 11.294 5.144 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.249 13.729 4.852 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.183 9.141 8.109 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.476 8.542 8.386 1.00 0.00 C ATOM 1475 C GLY A 98 -18.893 7.545 7.323 1.00 0.00 C ATOM 1476 O GLY A 98 -19.775 6.717 7.551 1.00 0.00 O ATOM 0 H GLY A 98 -16.417 8.476 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.442 8.043 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.229 9.327 8.459 1.00 0.00 H new ATOM 1480 N SER A 99 -18.259 7.624 6.158 1.00 0.00 N ATOM 1481 CA SER A 99 -18.574 6.726 5.053 1.00 0.00 C ATOM 1482 C SER A 99 -17.300 6.175 4.422 1.00 0.00 C ATOM 1483 O SER A 99 -16.194 6.428 4.902 1.00 0.00 O ATOM 1484 CB SER A 99 -19.407 7.453 3.996 1.00 0.00 C ATOM 1485 OG SER A 99 -20.000 6.536 3.094 1.00 0.00 O ATOM 0 H SER A 99 -17.524 8.301 5.954 1.00 0.00 H new ATOM 0 HA SER A 99 -19.153 5.892 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.184 8.043 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.775 8.151 3.447 1.00 0.00 H new ATOM 0 HG SER A 99 -20.528 7.026 2.430 1.00 0.00 H new ATOM 1491 N THR A 100 -17.461 5.419 3.340 1.00 0.00 N ATOM 1492 CA THR A 100 -16.325 4.830 2.642 1.00 0.00 C ATOM 1493 C THR A 100 -16.427 5.056 1.138 1.00 0.00 C ATOM 1494 O THR A 100 -17.413 5.608 0.648 1.00 0.00 O ATOM 1495 CB THR A 100 -16.220 3.318 2.917 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.386 2.648 2.425 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.062 3.047 4.405 1.00 0.00 C ATOM 0 H THR A 100 -18.368 5.200 2.928 1.00 0.00 H new ATOM 0 HA THR A 100 -15.430 5.324 3.021 1.00 0.00 H new ATOM 0 HB THR A 100 -15.339 2.938 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.310 1.687 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.990 1.973 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.157 3.533 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.926 3.441 4.940 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.402 4.627 0.409 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.376 4.783 -1.041 1.00 0.00 C ATOM 1507 C LEU A 101 -15.908 3.531 -1.732 1.00 0.00 C ATOM 1508 O LEU A 101 -15.898 2.441 -1.160 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.952 5.075 -1.517 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.334 6.383 -1.019 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.846 6.422 -1.330 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.043 7.578 -1.640 1.00 0.00 C ATOM 0 H LEU A 101 -14.578 4.169 0.799 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.020 5.623 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.310 4.251 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.950 5.087 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.459 6.434 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.423 7.359 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.349 5.586 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.697 6.348 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.590 8.500 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.949 7.533 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.098 7.558 -1.366 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.370 3.696 -2.967 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.904 2.579 -3.739 1.00 0.00 C ATOM 1526 C LYS A 102 -15.815 1.940 -4.594 1.00 0.00 C ATOM 1527 O LYS A 102 -15.090 2.630 -5.311 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.055 3.052 -4.630 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.794 1.920 -5.322 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.345 0.920 -4.320 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.136 -0.182 -5.009 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.511 0.264 -5.367 1.00 0.00 N ATOM 0 H LYS A 102 -16.386 4.592 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.278 1.832 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.762 3.620 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.663 3.733 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.611 2.328 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.120 1.412 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.524 0.480 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.985 1.436 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.610 -0.498 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.195 -1.051 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.018 -0.515 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.022 0.541 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.455 1.077 -6.013 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.706 0.618 -4.514 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.707 -0.115 -5.283 1.00 0.00 C ATOM 1548 C VAL A 103 -15.356 -0.909 -6.412 1.00 0.00 C ATOM 1549 O VAL A 103 -15.581 -2.114 -6.289 1.00 0.00 O ATOM 1550 CB VAL A 103 -13.905 -1.077 -4.388 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -14.842 -1.961 -3.578 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -12.957 -1.921 -5.227 1.00 0.00 C ATOM 0 H VAL A 103 -16.297 0.032 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.028 0.625 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.310 -0.485 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.256 -2.634 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.476 -1.338 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.466 -2.545 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.398 -2.595 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.530 -2.504 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.262 -1.270 -5.757 1.00 0.00 H new ATOM 1562 N THR A 104 -15.655 -0.227 -7.512 1.00 0.00 N ATOM 1563 CA THR A 104 -16.278 -0.868 -8.663 1.00 0.00 C ATOM 1564 C THR A 104 -15.509 -0.567 -9.945 1.00 0.00 C ATOM 1565 O THR A 104 -15.135 -1.477 -10.685 1.00 0.00 O ATOM 1566 CB THR A 104 -17.739 -0.412 -8.836 1.00 0.00 C ATOM 1567 OG1 THR A 104 -18.314 -1.038 -9.990 1.00 0.00 O ATOM 1568 CG2 THR A 104 -17.822 1.099 -8.979 1.00 0.00 C ATOM 0 H THR A 104 -15.476 0.770 -7.630 1.00 0.00 H new ATOM 0 HA THR A 104 -16.259 -1.942 -8.475 1.00 0.00 H new ATOM 0 HB THR A 104 -18.296 -0.707 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 104 -19.243 -0.744 -10.093 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.864 1.396 -9.100 1.00 0.00 H new ATOM 0 HG22 THR A 104 -17.411 1.572 -8.087 1.00 0.00 H new ATOM 0 HG23 THR A 104 -17.251 1.414 -9.853 1.00 0.00 H new TER 1576 THR A 104