USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 985 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: B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 0 MET CE :methyl -160:sc= -0.136 (180deg=-0.649) USER MOD Single : B 1 GLN :FLIP amide:sc= -0.251 F(o=-2,f=-0.25) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -2 SER OG : rot 180:sc= 0 USER MOD Single : B -9 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -22:sc= 0.735 USER MOD Single : B 20 GLN : amide:sc= -2.25 K(o=-2.3,f=-3.2!) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.847 F(o=-1.5,f=-0.85) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0904 USER MOD Single : B 30 SER OG : rot 70:sc= -0.0401 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -71:sc= 0.849 USER MOD Single : B 42 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.1) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 58 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.18) USER MOD Single : B 59 SER OG : rot 180:sc= -0.121 USER MOD Single : B 63 SER OG : rot -1:sc= 0.33 USER MOD Single : B 72 SER OG : rot -120:sc= -0.163 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= -0.0239 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 166:sc= -0.0275 (180deg=-0.217) USER MOD Single : B -10 SER OG : rot 180:sc= 0 USER MOD Single : B -11 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.029) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -13 HIS : no HD1:sc=-0.00049 X(o=-0.00049,f=0) USER MOD Single : B -14 HIS : no HE2:sc= -0.0231 K(o=-0.023,f=-2) USER MOD Single : B -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -17 SER OG : rot 180:sc= 0 USER MOD Single : B -18 SER OG : rot 180:sc= 0 USER MOD Single : B -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -20 MET N :NH3+ 170:sc= -0.533 (180deg=-0.71) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 39:sc= 1.2 USER MOD Single : B 109 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -20 32.167 -0.333 32.103 1.00 0.00 N ATOM 2 CA MET B -20 32.917 -1.614 32.024 1.00 0.00 C ATOM 3 C MET B -20 33.421 -1.867 30.608 1.00 0.00 C ATOM 4 O MET B -20 34.166 -2.817 30.363 1.00 0.00 O ATOM 5 CB MET B -20 32.026 -2.775 32.479 1.00 0.00 C ATOM 6 CG MET B -20 30.655 -2.797 31.817 1.00 0.00 C ATOM 7 SD MET B -20 30.721 -3.286 30.082 1.00 0.00 S ATOM 8 CE MET B -20 28.986 -3.205 29.642 1.00 0.00 C ATOM 0 H1 MET B -20 31.693 -0.265 33.026 1.00 0.00 H new ATOM 0 H2 MET B -20 32.827 0.463 31.993 1.00 0.00 H new ATOM 0 H3 MET B -20 31.456 -0.300 31.345 1.00 0.00 H new ATOM 0 HA MET B -20 33.780 -1.543 32.686 1.00 0.00 H new ATOM 0 HB2 MET B -20 32.535 -3.715 32.268 1.00 0.00 H new ATOM 0 HB3 MET B -20 31.896 -2.718 33.560 1.00 0.00 H new ATOM 0 HG2 MET B -20 30.007 -3.485 32.359 1.00 0.00 H new ATOM 0 HG3 MET B -20 30.204 -1.808 31.893 1.00 0.00 H new ATOM 0 HE1 MET B -20 28.863 -3.481 28.595 1.00 0.00 H new ATOM 0 HE2 MET B -20 28.419 -3.894 30.268 1.00 0.00 H new ATOM 0 HE3 MET B -20 28.619 -2.190 29.795 1.00 0.00 H new ATOM 20 N GLY B -19 33.013 -1.009 29.679 1.00 0.00 N ATOM 21 CA GLY B -19 33.433 -1.153 28.297 1.00 0.00 C ATOM 22 C GLY B -19 33.458 0.169 27.555 1.00 0.00 C ATOM 23 O GLY B -19 34.297 1.027 27.831 1.00 0.00 O ATOM 0 H GLY B -19 32.398 -0.215 29.859 1.00 0.00 H new ATOM 0 HA2 GLY B -19 34.426 -1.601 28.268 1.00 0.00 H new ATOM 0 HA3 GLY B -19 32.758 -1.840 27.786 1.00 0.00 H new ATOM 27 N SER B -18 32.536 0.334 26.612 1.00 0.00 N ATOM 28 CA SER B -18 32.455 1.560 25.826 1.00 0.00 C ATOM 29 C SER B -18 31.476 2.545 26.455 1.00 0.00 C ATOM 30 O SER B -18 30.566 2.151 27.187 1.00 0.00 O ATOM 31 CB SER B -18 32.027 1.244 24.391 1.00 0.00 C ATOM 32 OG SER B -18 32.951 0.374 23.763 1.00 0.00 O ATOM 0 H SER B -18 31.834 -0.366 26.373 1.00 0.00 H new ATOM 0 HA SER B -18 33.444 2.018 25.810 1.00 0.00 H new ATOM 0 HB2 SER B -18 31.038 0.787 24.396 1.00 0.00 H new ATOM 0 HB3 SER B -18 31.948 2.169 23.820 1.00 0.00 H new ATOM 0 HG SER B -18 32.654 0.186 22.848 1.00 0.00 H new ATOM 38 N SER B -17 31.668 3.829 26.166 1.00 0.00 N ATOM 39 CA SER B -17 30.801 4.872 26.700 1.00 0.00 C ATOM 40 C SER B -17 30.606 5.993 25.683 1.00 0.00 C ATOM 41 O SER B -17 29.736 6.849 25.848 1.00 0.00 O ATOM 42 CB SER B -17 31.389 5.437 27.995 1.00 0.00 C ATOM 43 OG SER B -17 32.672 5.997 27.772 1.00 0.00 O ATOM 0 H SER B -17 32.417 4.171 25.564 1.00 0.00 H new ATOM 0 HA SER B -17 29.828 4.428 26.913 1.00 0.00 H new ATOM 0 HB2 SER B -17 30.722 6.198 28.399 1.00 0.00 H new ATOM 0 HB3 SER B -17 31.459 4.646 28.742 1.00 0.00 H new ATOM 0 HG SER B -17 33.025 6.352 28.614 1.00 0.00 H new ATOM 49 N HIS B -16 31.424 5.981 24.636 1.00 0.00 N ATOM 50 CA HIS B -16 31.342 6.996 23.590 1.00 0.00 C ATOM 51 C HIS B -16 30.704 6.425 22.329 1.00 0.00 C ATOM 52 O HIS B -16 29.977 7.122 21.619 1.00 0.00 O ATOM 53 CB HIS B -16 32.736 7.540 23.271 1.00 0.00 C ATOM 54 CG HIS B -16 32.736 8.623 22.238 1.00 0.00 C ATOM 55 ND1 HIS B -16 33.079 8.407 20.919 1.00 0.00 N ATOM 56 CD2 HIS B -16 32.431 9.941 22.333 1.00 0.00 C ATOM 57 CE1 HIS B -16 32.989 9.544 20.251 1.00 0.00 C ATOM 58 NE2 HIS B -16 32.597 10.488 21.085 1.00 0.00 N ATOM 0 H HIS B -16 32.151 5.281 24.488 1.00 0.00 H new ATOM 0 HA HIS B -16 30.716 7.811 23.954 1.00 0.00 H new ATOM 0 HB2 HIS B -16 33.185 7.924 24.187 1.00 0.00 H new ATOM 0 HB3 HIS B -16 33.366 6.720 22.926 1.00 0.00 H new ATOM 0 HD2 HIS B -16 32.116 10.463 23.225 1.00 0.00 H new ATOM 0 HE1 HIS B -16 33.201 9.678 19.200 1.00 0.00 H new ATOM 0 HE2 HIS B -16 32.442 11.466 20.842 1.00 0.00 H new ATOM 67 N HIS B -15 30.979 5.154 22.055 1.00 0.00 N ATOM 68 CA HIS B -15 30.432 4.488 20.878 1.00 0.00 C ATOM 69 C HIS B -15 29.341 3.497 21.270 1.00 0.00 C ATOM 70 O HIS B -15 29.593 2.536 21.998 1.00 0.00 O ATOM 71 CB HIS B -15 31.545 3.766 20.113 1.00 0.00 C ATOM 72 CG HIS B -15 31.071 3.087 18.866 1.00 0.00 C ATOM 73 ND1 HIS B -15 30.832 1.730 18.791 1.00 0.00 N ATOM 74 CD2 HIS B -15 30.792 3.584 17.638 1.00 0.00 C ATOM 75 CE1 HIS B -15 30.428 1.422 17.570 1.00 0.00 C ATOM 76 NE2 HIS B -15 30.395 2.530 16.852 1.00 0.00 N ATOM 0 H HIS B -15 31.578 4.564 22.632 1.00 0.00 H new ATOM 0 HA HIS B -15 29.990 5.248 20.233 1.00 0.00 H new ATOM 0 HB2 HIS B -15 32.321 4.485 19.852 1.00 0.00 H new ATOM 0 HB3 HIS B -15 32.004 3.025 20.768 1.00 0.00 H new ATOM 0 HD2 HIS B -15 30.868 4.617 17.333 1.00 0.00 H new ATOM 0 HE1 HIS B -15 30.169 0.434 17.220 1.00 0.00 H new ATOM 0 HE2 HIS B -15 30.119 2.593 15.872 1.00 0.00 H new ATOM 85 N HIS B -14 28.128 3.738 20.782 1.00 0.00 N ATOM 86 CA HIS B -14 26.996 2.867 21.078 1.00 0.00 C ATOM 87 C HIS B -14 26.264 2.471 19.799 1.00 0.00 C ATOM 88 O HIS B -14 26.635 2.895 18.706 1.00 0.00 O ATOM 89 CB HIS B -14 26.029 3.560 22.041 1.00 0.00 C ATOM 90 CG HIS B -14 26.639 3.890 23.368 1.00 0.00 C ATOM 91 ND1 HIS B -14 26.467 3.110 24.492 1.00 0.00 N ATOM 92 CD2 HIS B -14 27.423 4.927 23.749 1.00 0.00 C ATOM 93 CE1 HIS B -14 27.117 3.652 25.507 1.00 0.00 C ATOM 94 NE2 HIS B -14 27.706 4.755 25.083 1.00 0.00 N ATOM 0 H HIS B -14 27.904 4.530 20.179 1.00 0.00 H new ATOM 0 HA HIS B -14 27.380 1.962 21.549 1.00 0.00 H new ATOM 0 HB2 HIS B -14 25.665 4.478 21.579 1.00 0.00 H new ATOM 0 HB3 HIS B -14 25.163 2.917 22.198 1.00 0.00 H new ATOM 0 HD1 HIS B -14 25.923 2.248 24.534 1.00 0.00 H new ATOM 0 HD2 HIS B -14 27.762 5.738 23.121 1.00 0.00 H new ATOM 0 HE1 HIS B -14 27.159 3.259 26.512 1.00 0.00 H new ATOM 103 N HIS B -13 25.224 1.658 19.947 1.00 0.00 N ATOM 104 CA HIS B -13 24.439 1.206 18.803 1.00 0.00 C ATOM 105 C HIS B -13 23.215 2.094 18.598 1.00 0.00 C ATOM 106 O HIS B -13 22.386 1.829 17.727 1.00 0.00 O ATOM 107 CB HIS B -13 24.002 -0.247 19.000 1.00 0.00 C ATOM 108 CG HIS B -13 25.147 -1.203 19.133 1.00 0.00 C ATOM 109 ND1 HIS B -13 25.590 -1.996 18.095 1.00 0.00 N ATOM 110 CD2 HIS B -13 25.942 -1.494 20.190 1.00 0.00 C ATOM 111 CE1 HIS B -13 26.604 -2.734 18.508 1.00 0.00 C ATOM 112 NE2 HIS B -13 26.838 -2.448 19.775 1.00 0.00 N ATOM 0 H HIS B -13 24.905 1.298 20.847 1.00 0.00 H new ATOM 0 HA HIS B -13 25.067 1.272 17.914 1.00 0.00 H new ATOM 0 HB2 HIS B -13 23.379 -0.313 19.892 1.00 0.00 H new ATOM 0 HB3 HIS B -13 23.383 -0.549 18.155 1.00 0.00 H new ATOM 0 HD2 HIS B -13 25.882 -1.057 21.176 1.00 0.00 H new ATOM 0 HE1 HIS B -13 27.149 -3.450 17.911 1.00 0.00 H new ATOM 0 HE2 HIS B -13 27.567 -2.868 20.352 1.00 0.00 H new ATOM 121 N HIS B -12 23.109 3.144 19.404 1.00 0.00 N ATOM 122 CA HIS B -12 21.987 4.071 19.310 1.00 0.00 C ATOM 123 C HIS B -12 22.203 5.075 18.182 1.00 0.00 C ATOM 124 O HIS B -12 23.043 5.969 18.286 1.00 0.00 O ATOM 125 CB HIS B -12 21.793 4.807 20.637 1.00 0.00 C ATOM 126 CG HIS B -12 20.634 5.755 20.633 1.00 0.00 C ATOM 127 ND1 HIS B -12 20.776 7.118 20.466 1.00 0.00 N ATOM 128 CD2 HIS B -12 19.306 5.533 20.782 1.00 0.00 C ATOM 129 CE1 HIS B -12 19.587 7.690 20.511 1.00 0.00 C ATOM 130 NE2 HIS B -12 18.678 6.751 20.702 1.00 0.00 N ATOM 0 H HIS B -12 23.787 3.375 20.130 1.00 0.00 H new ATOM 0 HA HIS B -12 21.089 3.494 19.090 1.00 0.00 H new ATOM 0 HB2 HIS B -12 21.650 4.075 21.431 1.00 0.00 H new ATOM 0 HB3 HIS B -12 22.703 5.359 20.873 1.00 0.00 H new ATOM 0 HD2 HIS B -12 18.830 4.576 20.935 1.00 0.00 H new ATOM 0 HE1 HIS B -12 19.391 8.747 20.409 1.00 0.00 H new ATOM 0 HE2 HIS B -12 17.673 6.906 20.778 1.00 0.00 H new ATOM 139 N HIS B -11 21.439 4.921 17.105 1.00 0.00 N ATOM 140 CA HIS B -11 21.546 5.815 15.958 1.00 0.00 C ATOM 141 C HIS B -11 20.163 6.197 15.438 1.00 0.00 C ATOM 142 O HIS B -11 19.147 5.719 15.940 1.00 0.00 O ATOM 143 CB HIS B -11 22.358 5.154 14.842 1.00 0.00 C ATOM 144 CG HIS B -11 23.760 4.816 15.240 1.00 0.00 C ATOM 145 ND1 HIS B -11 24.169 3.534 15.541 1.00 0.00 N ATOM 146 CD2 HIS B -11 24.854 5.600 15.381 1.00 0.00 C ATOM 147 CE1 HIS B -11 25.452 3.545 15.854 1.00 0.00 C ATOM 148 NE2 HIS B -11 25.892 4.786 15.762 1.00 0.00 N ATOM 0 H HIS B -11 20.739 4.186 17.003 1.00 0.00 H new ATOM 0 HA HIS B -11 22.058 6.721 16.281 1.00 0.00 H new ATOM 0 HB2 HIS B -11 21.850 4.243 14.525 1.00 0.00 H new ATOM 0 HB3 HIS B -11 22.385 5.821 13.980 1.00 0.00 H new ATOM 0 HD2 HIS B -11 24.902 6.667 15.223 1.00 0.00 H new ATOM 0 HE1 HIS B -11 26.041 2.685 16.137 1.00 0.00 H new ATOM 0 HE2 HIS B -11 26.848 5.091 15.944 1.00 0.00 H new ATOM 157 N SER B -10 20.135 7.060 14.427 1.00 0.00 N ATOM 158 CA SER B -10 18.878 7.506 13.837 1.00 0.00 C ATOM 159 C SER B -10 18.483 6.612 12.665 1.00 0.00 C ATOM 160 O SER B -10 19.229 5.711 12.280 1.00 0.00 O ATOM 161 CB SER B -10 18.997 8.958 13.367 1.00 0.00 C ATOM 162 OG SER B -10 19.306 9.821 14.448 1.00 0.00 O ATOM 0 H SER B -10 20.968 7.464 14.000 1.00 0.00 H new ATOM 0 HA SER B -10 18.103 7.441 14.600 1.00 0.00 H new ATOM 0 HB2 SER B -10 19.772 9.034 12.604 1.00 0.00 H new ATOM 0 HB3 SER B -10 18.061 9.271 12.904 1.00 0.00 H new ATOM 0 HG SER B -10 19.378 10.742 14.121 1.00 0.00 H new ATOM 168 N SER B -9 17.305 6.867 12.104 1.00 0.00 N ATOM 169 CA SER B -9 16.811 6.084 10.976 1.00 0.00 C ATOM 170 C SER B -9 17.631 6.361 9.722 1.00 0.00 C ATOM 171 O SER B -9 17.417 7.362 9.037 1.00 0.00 O ATOM 172 CB SER B -9 15.336 6.395 10.719 1.00 0.00 C ATOM 173 OG SER B -9 14.541 6.083 11.849 1.00 0.00 O ATOM 0 H SER B -9 16.676 7.608 12.411 1.00 0.00 H new ATOM 0 HA SER B -9 16.912 5.028 11.226 1.00 0.00 H new ATOM 0 HB2 SER B -9 15.222 7.450 10.472 1.00 0.00 H new ATOM 0 HB3 SER B -9 14.987 5.826 9.857 1.00 0.00 H new ATOM 0 HG SER B -9 13.603 6.293 11.657 1.00 0.00 H new ATOM 179 N GLY B -8 18.572 5.470 9.425 1.00 0.00 N ATOM 180 CA GLY B -8 19.412 5.635 8.254 1.00 0.00 C ATOM 181 C GLY B -8 20.416 6.760 8.410 1.00 0.00 C ATOM 182 O GLY B -8 20.167 7.728 9.128 1.00 0.00 O ATOM 0 H GLY B -8 18.768 4.635 9.977 1.00 0.00 H new ATOM 0 HA2 GLY B -8 19.943 4.704 8.058 1.00 0.00 H new ATOM 0 HA3 GLY B -8 18.783 5.832 7.385 1.00 0.00 H new ATOM 186 N LEU B -7 21.555 6.631 7.736 1.00 0.00 N ATOM 187 CA LEU B -7 22.602 7.645 7.802 1.00 0.00 C ATOM 188 C LEU B -7 22.291 8.808 6.867 1.00 0.00 C ATOM 189 O LEU B -7 22.223 9.960 7.293 1.00 0.00 O ATOM 190 CB LEU B -7 23.958 7.033 7.441 1.00 0.00 C ATOM 191 CG LEU B -7 24.421 5.893 8.354 1.00 0.00 C ATOM 192 CD1 LEU B -7 25.683 5.247 7.802 1.00 0.00 C ATOM 193 CD2 LEU B -7 24.654 6.402 9.768 1.00 0.00 C ATOM 0 H LEU B -7 21.776 5.835 7.138 1.00 0.00 H new ATOM 0 HA LEU B -7 22.643 8.024 8.823 1.00 0.00 H new ATOM 0 HB2 LEU B -7 23.910 6.661 6.417 1.00 0.00 H new ATOM 0 HB3 LEU B -7 24.711 7.821 7.459 1.00 0.00 H new ATOM 0 HG LEU B -7 23.636 5.138 8.387 1.00 0.00 H new ATOM 0 HD11 LEU B -7 25.997 4.440 8.463 1.00 0.00 H new ATOM 0 HD12 LEU B -7 25.482 4.845 6.809 1.00 0.00 H new ATOM 0 HD13 LEU B -7 26.475 5.993 7.738 1.00 0.00 H new ATOM 0 HD21 LEU B -7 24.982 5.578 10.402 1.00 0.00 H new ATOM 0 HD22 LEU B -7 25.420 7.177 9.754 1.00 0.00 H new ATOM 0 HD23 LEU B -7 23.726 6.816 10.163 1.00 0.00 H new ATOM 205 N VAL B -6 22.104 8.495 5.588 1.00 0.00 N ATOM 206 CA VAL B -6 21.799 9.511 4.589 1.00 0.00 C ATOM 207 C VAL B -6 20.287 9.663 4.405 1.00 0.00 C ATOM 208 O VAL B -6 19.568 8.667 4.313 1.00 0.00 O ATOM 209 CB VAL B -6 22.445 9.169 3.229 1.00 0.00 C ATOM 210 CG1 VAL B -6 21.960 7.818 2.727 1.00 0.00 C ATOM 211 CG2 VAL B -6 22.163 10.259 2.205 1.00 0.00 C ATOM 0 H VAL B -6 22.159 7.545 5.220 1.00 0.00 H new ATOM 0 HA VAL B -6 22.213 10.452 4.951 1.00 0.00 H new ATOM 0 HB VAL B -6 23.524 9.111 3.372 1.00 0.00 H new ATOM 0 HG11 VAL B -6 22.428 7.597 1.768 1.00 0.00 H new ATOM 0 HG12 VAL B -6 22.227 7.045 3.447 1.00 0.00 H new ATOM 0 HG13 VAL B -6 20.877 7.842 2.606 1.00 0.00 H new ATOM 0 HG21 VAL B -6 22.628 9.995 1.255 1.00 0.00 H new ATOM 0 HG22 VAL B -6 21.086 10.358 2.066 1.00 0.00 H new ATOM 0 HG23 VAL B -6 22.572 11.205 2.559 1.00 0.00 H new ATOM 221 N PRO B -5 19.782 10.912 4.359 1.00 0.00 N ATOM 222 CA PRO B -5 18.347 11.175 4.186 1.00 0.00 C ATOM 223 C PRO B -5 17.771 10.466 2.964 1.00 0.00 C ATOM 224 O PRO B -5 16.733 9.811 3.049 1.00 0.00 O ATOM 225 CB PRO B -5 18.281 12.694 4.001 1.00 0.00 C ATOM 226 CG PRO B -5 19.504 13.212 4.676 1.00 0.00 C ATOM 227 CD PRO B -5 20.561 12.161 4.477 1.00 0.00 C ATOM 0 HA PRO B -5 17.763 10.809 5.031 1.00 0.00 H new ATOM 0 HB2 PRO B -5 18.267 12.964 2.945 1.00 0.00 H new ATOM 0 HB3 PRO B -5 17.377 13.108 4.447 1.00 0.00 H new ATOM 0 HG2 PRO B -5 19.814 14.164 4.246 1.00 0.00 H new ATOM 0 HG3 PRO B -5 19.321 13.386 5.736 1.00 0.00 H new ATOM 0 HD2 PRO B -5 21.154 12.351 3.582 1.00 0.00 H new ATOM 0 HD3 PRO B -5 21.255 12.124 5.317 1.00 0.00 H new ATOM 235 N ARG B -4 18.451 10.601 1.831 1.00 0.00 N ATOM 236 CA ARG B -4 18.008 9.973 0.592 1.00 0.00 C ATOM 237 C ARG B -4 19.152 9.884 -0.413 1.00 0.00 C ATOM 238 O ARG B -4 20.093 10.678 -0.371 1.00 0.00 O ATOM 239 CB ARG B -4 16.841 10.755 -0.013 1.00 0.00 C ATOM 240 CG ARG B -4 17.178 12.203 -0.333 1.00 0.00 C ATOM 241 CD ARG B -4 15.987 12.931 -0.935 1.00 0.00 C ATOM 242 NE ARG B -4 15.533 12.307 -2.174 1.00 0.00 N ATOM 243 CZ ARG B -4 14.485 12.732 -2.872 1.00 0.00 C ATOM 244 NH1 ARG B -4 13.783 13.777 -2.453 1.00 0.00 N ATOM 245 NH2 ARG B -4 14.135 12.110 -3.990 1.00 0.00 N ATOM 0 H ARG B -4 19.312 11.141 1.745 1.00 0.00 H new ATOM 0 HA ARG B -4 17.675 8.962 0.826 1.00 0.00 H new ATOM 0 HB2 ARG B -4 16.515 10.256 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG B -4 16.000 10.731 0.681 1.00 0.00 H new ATOM 0 HG2 ARG B -4 17.496 12.713 0.576 1.00 0.00 H new ATOM 0 HG3 ARG B -4 18.017 12.238 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG B -4 15.169 12.944 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG B -4 16.257 13.969 -1.130 1.00 0.00 H new ATOM 0 HE ARG B -4 16.049 11.500 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG B -4 14.047 14.257 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG B -4 12.979 14.100 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG B -4 14.670 11.305 -4.315 1.00 0.00 H new ATOM 0 HH22 ARG B -4 13.330 12.437 -4.525 1.00 0.00 H new ATOM 259 N GLY B -3 19.065 8.912 -1.317 1.00 0.00 N ATOM 260 CA GLY B -3 20.099 8.735 -2.320 1.00 0.00 C ATOM 261 C GLY B -3 19.565 8.119 -3.599 1.00 0.00 C ATOM 262 O GLY B -3 18.437 7.627 -3.635 1.00 0.00 O ATOM 0 H GLY B -3 18.296 8.244 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY B -3 20.551 9.701 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY B -3 20.888 8.101 -1.916 1.00 0.00 H new ATOM 266 N SER B -2 20.380 8.145 -4.650 1.00 0.00 N ATOM 267 CA SER B -2 19.985 7.583 -5.937 1.00 0.00 C ATOM 268 C SER B -2 20.420 6.127 -6.051 1.00 0.00 C ATOM 269 O SER B -2 21.612 5.821 -6.016 1.00 0.00 O ATOM 270 CB SER B -2 20.591 8.401 -7.080 1.00 0.00 C ATOM 271 OG SER B -2 20.156 9.748 -7.031 1.00 0.00 O ATOM 0 H SER B -2 21.317 8.549 -4.635 1.00 0.00 H new ATOM 0 HA SER B -2 18.898 7.624 -6.006 1.00 0.00 H new ATOM 0 HB2 SER B -2 21.679 8.365 -7.020 1.00 0.00 H new ATOM 0 HB3 SER B -2 20.310 7.959 -8.036 1.00 0.00 H new ATOM 0 HG SER B -2 20.559 10.249 -7.771 1.00 0.00 H new ATOM 277 N HIS B -1 19.443 5.233 -6.189 1.00 0.00 N ATOM 278 CA HIS B -1 19.717 3.804 -6.310 1.00 0.00 C ATOM 279 C HIS B -1 20.469 3.285 -5.086 1.00 0.00 C ATOM 280 O HIS B -1 21.692 3.400 -5.003 1.00 0.00 O ATOM 281 CB HIS B -1 20.521 3.517 -7.580 1.00 0.00 C ATOM 282 CG HIS B -1 20.804 2.063 -7.798 1.00 0.00 C ATOM 283 ND1 HIS B -1 22.018 1.479 -7.501 1.00 0.00 N ATOM 284 CD2 HIS B -1 20.022 1.072 -8.288 1.00 0.00 C ATOM 285 CE1 HIS B -1 21.969 0.192 -7.800 1.00 0.00 C ATOM 286 NE2 HIS B -1 20.770 -0.079 -8.277 1.00 0.00 N ATOM 0 H HIS B -1 18.452 5.475 -6.220 1.00 0.00 H new ATOM 0 HA HIS B -1 18.761 3.284 -6.373 1.00 0.00 H new ATOM 0 HB2 HIS B -1 19.975 3.905 -8.440 1.00 0.00 H new ATOM 0 HB3 HIS B -1 21.466 4.059 -7.531 1.00 0.00 H new ATOM 0 HD2 HIS B -1 19.000 1.169 -8.625 1.00 0.00 H new ATOM 0 HE1 HIS B -1 22.774 -0.517 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS B -1 20.450 -0.996 -8.588 1.00 0.00 H new ATOM 295 N MET B 0 19.728 2.716 -4.141 1.00 0.00 N ATOM 296 CA MET B 0 20.324 2.179 -2.921 1.00 0.00 C ATOM 297 C MET B 0 19.349 1.248 -2.207 1.00 0.00 C ATOM 298 O MET B 0 18.289 1.676 -1.749 1.00 0.00 O ATOM 299 CB MET B 0 20.738 3.316 -1.987 1.00 0.00 C ATOM 300 CG MET B 0 21.395 2.840 -0.701 1.00 0.00 C ATOM 301 SD MET B 0 21.857 4.199 0.392 1.00 0.00 S ATOM 302 CE MET B 0 23.044 5.069 -0.631 1.00 0.00 C ATOM 0 H MET B 0 18.715 2.614 -4.195 1.00 0.00 H new ATOM 0 HA MET B 0 21.210 1.607 -3.199 1.00 0.00 H new ATOM 0 HB2 MET B 0 21.427 3.975 -2.515 1.00 0.00 H new ATOM 0 HB3 MET B 0 19.858 3.909 -1.738 1.00 0.00 H new ATOM 0 HG2 MET B 0 20.712 2.173 -0.175 1.00 0.00 H new ATOM 0 HG3 MET B 0 22.284 2.258 -0.946 1.00 0.00 H new ATOM 0 HE1 MET B 0 23.673 5.700 -0.003 1.00 0.00 H new ATOM 0 HE2 MET B 0 23.667 4.347 -1.159 1.00 0.00 H new ATOM 0 HE3 MET B 0 22.515 5.690 -1.354 1.00 0.00 H new ATOM 312 N GLN B 1 19.714 -0.026 -2.114 1.00 0.00 N ATOM 313 CA GLN B 1 18.873 -1.018 -1.455 1.00 0.00 C ATOM 314 C GLN B 1 18.813 -0.765 0.049 1.00 0.00 C ATOM 315 O GLN B 1 19.790 -0.985 0.764 1.00 0.00 O ATOM 316 CB GLN B 1 19.397 -2.428 -1.726 1.00 0.00 C ATOM 317 CG GLN B 1 19.410 -2.798 -3.196 1.00 0.00 C ATOM 318 CD GLN B 1 19.919 -4.206 -3.444 1.00 0.00 C ATOM 319 OE1 GLN B 1 19.684 -5.100 -2.489 1.00 0.00 O flip ATOM 320 NE2 GLN B 1 20.514 -4.487 -4.483 1.00 0.00 N flip ATOM 0 H GLN B 1 20.588 -0.396 -2.487 1.00 0.00 H new ATOM 0 HA GLN B 1 17.866 -0.931 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN B 1 20.409 -2.513 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN B 1 18.781 -3.146 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN B 1 18.401 -2.705 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN B 1 20.036 -2.090 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN B 1 20.673 -3.769 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN B 1 20.849 -5.438 -4.638 1.00 0.00 H new ATOM 329 N LYS B 2 17.661 -0.298 0.519 1.00 0.00 N ATOM 330 CA LYS B 2 17.476 -0.012 1.937 1.00 0.00 C ATOM 331 C LYS B 2 17.041 -1.260 2.696 1.00 0.00 C ATOM 332 O LYS B 2 16.202 -2.020 2.220 1.00 0.00 O ATOM 333 CB LYS B 2 16.436 1.092 2.127 1.00 0.00 C ATOM 334 CG LYS B 2 16.694 2.329 1.280 1.00 0.00 C ATOM 335 CD LYS B 2 17.960 3.055 1.713 1.00 0.00 C ATOM 336 CE LYS B 2 17.818 3.643 3.109 1.00 0.00 C ATOM 337 NZ LYS B 2 19.052 4.356 3.540 1.00 0.00 N ATOM 0 H LYS B 2 16.843 -0.110 -0.060 1.00 0.00 H new ATOM 0 HA LYS B 2 18.434 0.322 2.337 1.00 0.00 H new ATOM 0 HB2 LYS B 2 15.450 0.696 1.884 1.00 0.00 H new ATOM 0 HB3 LYS B 2 16.414 1.381 3.178 1.00 0.00 H new ATOM 0 HG2 LYS B 2 16.780 2.041 0.232 1.00 0.00 H new ATOM 0 HG3 LYS B 2 15.843 3.006 1.356 1.00 0.00 H new ATOM 0 HD2 LYS B 2 18.802 2.363 1.693 1.00 0.00 H new ATOM 0 HD3 LYS B 2 18.185 3.851 1.003 1.00 0.00 H new ATOM 0 HE2 LYS B 2 16.975 4.333 3.128 1.00 0.00 H new ATOM 0 HE3 LYS B 2 17.593 2.846 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 18.914 4.742 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 19.852 3.692 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 19.253 5.133 2.879 1.00 0.00 H new ATOM 351 N PRO B 3 17.607 -1.489 3.894 1.00 0.00 N ATOM 352 CA PRO B 3 17.256 -2.641 4.719 1.00 0.00 C ATOM 353 C PRO B 3 15.789 -2.602 5.087 1.00 0.00 C ATOM 354 O PRO B 3 15.159 -3.627 5.339 1.00 0.00 O ATOM 355 CB PRO B 3 18.132 -2.472 5.963 1.00 0.00 C ATOM 356 CG PRO B 3 19.233 -1.573 5.535 1.00 0.00 C ATOM 357 CD PRO B 3 18.609 -0.640 4.553 1.00 0.00 C ATOM 0 HA PRO B 3 17.418 -3.593 4.214 1.00 0.00 H new ATOM 0 HB2 PRO B 3 17.567 -2.039 6.788 1.00 0.00 H new ATOM 0 HB3 PRO B 3 18.517 -3.431 6.309 1.00 0.00 H new ATOM 0 HG2 PRO B 3 19.652 -1.031 6.383 1.00 0.00 H new ATOM 0 HG3 PRO B 3 20.049 -2.136 5.081 1.00 0.00 H new ATOM 0 HD2 PRO B 3 18.152 0.219 5.044 1.00 0.00 H new ATOM 0 HD3 PRO B 3 19.339 -0.250 3.844 1.00 0.00 H new ATOM 365 N VAL B 4 15.275 -1.384 5.096 1.00 0.00 N ATOM 366 CA VAL B 4 13.877 -1.113 5.410 1.00 0.00 C ATOM 367 C VAL B 4 13.642 0.391 5.567 1.00 0.00 C ATOM 368 O VAL B 4 13.478 0.900 6.676 1.00 0.00 O ATOM 369 CB VAL B 4 13.412 -1.853 6.685 1.00 0.00 C ATOM 370 CG1 VAL B 4 14.278 -1.490 7.884 1.00 0.00 C ATOM 371 CG2 VAL B 4 11.944 -1.567 6.958 1.00 0.00 C ATOM 0 H VAL B 4 15.818 -0.547 4.884 1.00 0.00 H new ATOM 0 HA VAL B 4 13.285 -1.486 4.574 1.00 0.00 H new ATOM 0 HB VAL B 4 13.526 -2.924 6.517 1.00 0.00 H new ATOM 0 HG11 VAL B 4 13.925 -2.027 8.764 1.00 0.00 H new ATOM 0 HG12 VAL B 4 15.313 -1.766 7.682 1.00 0.00 H new ATOM 0 HG13 VAL B 4 14.217 -0.417 8.065 1.00 0.00 H new ATOM 0 HG21 VAL B 4 11.632 -2.095 7.859 1.00 0.00 H new ATOM 0 HG22 VAL B 4 11.802 -0.495 7.098 1.00 0.00 H new ATOM 0 HG23 VAL B 4 11.344 -1.905 6.113 1.00 0.00 H new ATOM 381 N VAL B 5 13.640 1.105 4.444 1.00 0.00 N ATOM 382 CA VAL B 5 13.424 2.543 4.461 1.00 0.00 C ATOM 383 C VAL B 5 12.084 2.878 5.112 1.00 0.00 C ATOM 384 O VAL B 5 11.024 2.675 4.523 1.00 0.00 O ATOM 385 CB VAL B 5 13.481 3.137 3.038 1.00 0.00 C ATOM 386 CG1 VAL B 5 12.595 2.352 2.084 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.090 4.605 3.056 1.00 0.00 C ATOM 0 H VAL B 5 13.785 0.710 3.515 1.00 0.00 H new ATOM 0 HA VAL B 5 14.226 2.989 5.049 1.00 0.00 H new ATOM 0 HB VAL B 5 14.507 3.061 2.679 1.00 0.00 H new ATOM 0 HG11 VAL B 5 12.653 2.791 1.088 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.932 1.316 2.044 1.00 0.00 H new ATOM 0 HG13 VAL B 5 11.564 2.385 2.435 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.136 5.006 2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.075 4.707 3.441 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.778 5.157 3.697 1.00 0.00 H new ATOM 397 N THR B 6 12.145 3.388 6.338 1.00 0.00 N ATOM 398 CA THR B 6 10.946 3.739 7.084 1.00 0.00 C ATOM 399 C THR B 6 10.306 5.017 6.552 1.00 0.00 C ATOM 400 O THR B 6 10.942 5.792 5.837 1.00 0.00 O ATOM 401 CB THR B 6 11.263 3.918 8.580 1.00 0.00 C ATOM 402 OG1 THR B 6 12.253 2.965 8.987 1.00 0.00 O ATOM 403 CG2 THR B 6 10.010 3.735 9.421 1.00 0.00 C ATOM 0 H THR B 6 13.017 3.567 6.836 1.00 0.00 H new ATOM 0 HA THR B 6 10.242 2.917 6.957 1.00 0.00 H new ATOM 0 HB THR B 6 11.643 4.928 8.731 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.451 3.086 9.939 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.257 3.866 10.475 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.264 4.474 9.129 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.609 2.734 9.264 1.00 0.00 H new ATOM 411 N LEU B 7 9.042 5.227 6.909 1.00 0.00 N ATOM 412 CA LEU B 7 8.304 6.408 6.473 1.00 0.00 C ATOM 413 C LEU B 7 7.077 6.628 7.355 1.00 0.00 C ATOM 414 O LEU B 7 6.513 5.677 7.895 1.00 0.00 O ATOM 415 CB LEU B 7 7.877 6.259 5.012 1.00 0.00 C ATOM 416 CG LEU B 7 7.125 7.457 4.425 1.00 0.00 C ATOM 417 CD1 LEU B 7 8.008 8.698 4.432 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.649 7.149 3.015 1.00 0.00 C ATOM 0 H LEU B 7 8.506 4.592 7.501 1.00 0.00 H new ATOM 0 HA LEU B 7 8.959 7.274 6.563 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.766 6.077 4.408 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.245 5.375 4.924 1.00 0.00 H new ATOM 0 HG LEU B 7 6.252 7.653 5.047 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.457 9.539 4.011 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.300 8.931 5.456 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.900 8.513 3.834 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.117 8.012 2.614 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.508 6.926 2.382 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.981 6.288 3.037 1.00 0.00 H new ATOM 430 N ASP B 8 6.672 7.885 7.499 1.00 0.00 N ATOM 431 CA ASP B 8 5.512 8.225 8.315 1.00 0.00 C ATOM 432 C ASP B 8 4.664 9.300 7.640 1.00 0.00 C ATOM 433 O ASP B 8 3.435 9.223 7.637 1.00 0.00 O ATOM 434 CB ASP B 8 5.958 8.705 9.698 1.00 0.00 C ATOM 435 CG ASP B 8 6.861 9.919 9.629 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.093 9.740 9.546 1.00 0.00 O ATOM 437 OD2 ASP B 8 6.335 11.052 9.656 1.00 0.00 O ATOM 0 H ASP B 8 7.129 8.685 7.062 1.00 0.00 H new ATOM 0 HA ASP B 8 4.904 7.327 8.427 1.00 0.00 H new ATOM 0 HB2 ASP B 8 5.079 8.944 10.297 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.481 7.896 10.208 1.00 0.00 H new ATOM 442 N ASP B 9 5.328 10.298 7.068 1.00 0.00 N ATOM 443 CA ASP B 9 4.637 11.388 6.388 1.00 0.00 C ATOM 444 C ASP B 9 4.468 11.083 4.903 1.00 0.00 C ATOM 445 O ASP B 9 5.263 10.348 4.316 1.00 0.00 O ATOM 446 CB ASP B 9 5.403 12.699 6.572 1.00 0.00 C ATOM 447 CG ASP B 9 6.851 12.587 6.139 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.704 12.271 6.996 1.00 0.00 O ATOM 449 OD2 ASP B 9 7.132 12.813 4.944 1.00 0.00 O ATOM 0 H ASP B 9 6.345 10.375 7.061 1.00 0.00 H new ATOM 0 HA ASP B 9 3.647 11.491 6.832 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.914 13.486 5.997 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.362 12.997 7.620 1.00 0.00 H new ATOM 454 N ALA B 10 3.429 11.655 4.301 1.00 0.00 N ATOM 455 CA ALA B 10 3.154 11.445 2.883 1.00 0.00 C ATOM 456 C ALA B 10 3.936 12.425 2.018 1.00 0.00 C ATOM 457 O ALA B 10 4.729 13.219 2.526 1.00 0.00 O ATOM 458 CB ALA B 10 1.661 11.574 2.615 1.00 0.00 C ATOM 0 H ALA B 10 2.764 12.267 4.773 1.00 0.00 H new ATOM 0 HA ALA B 10 3.476 10.437 2.620 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.467 11.416 1.554 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.121 10.828 3.198 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.325 12.571 2.900 1.00 0.00 H new ATOM 464 N ASP B 11 3.705 12.362 0.704 1.00 0.00 N ATOM 465 CA ASP B 11 4.374 13.232 -0.254 1.00 0.00 C ATOM 466 C ASP B 11 5.887 12.994 -0.297 1.00 0.00 C ATOM 467 O ASP B 11 6.560 13.419 -1.235 1.00 0.00 O ATOM 468 CB ASP B 11 4.070 14.680 0.093 1.00 0.00 C ATOM 469 CG ASP B 11 4.987 15.664 -0.607 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.037 16.015 -0.025 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.659 16.083 -1.736 1.00 0.00 O ATOM 0 H ASP B 11 3.049 11.706 0.280 1.00 0.00 H new ATOM 0 HA ASP B 11 3.993 13.000 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.037 14.902 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP B 11 4.157 14.815 1.171 1.00 0.00 H new ATOM 476 N ASP B 12 6.416 12.309 0.712 1.00 0.00 N ATOM 477 CA ASP B 12 7.842 12.021 0.775 1.00 0.00 C ATOM 478 C ASP B 12 8.099 10.547 0.500 1.00 0.00 C ATOM 479 O ASP B 12 9.191 10.036 0.751 1.00 0.00 O ATOM 480 CB ASP B 12 8.405 12.408 2.143 1.00 0.00 C ATOM 481 CG ASP B 12 8.331 13.900 2.396 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.360 14.584 2.223 1.00 0.00 O ATOM 483 OD2 ASP B 12 7.242 14.386 2.769 1.00 0.00 O ATOM 0 H ASP B 12 5.877 11.943 1.497 1.00 0.00 H new ATOM 0 HA ASP B 12 8.346 12.612 0.010 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.853 11.882 2.922 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.443 12.081 2.212 1.00 0.00 H new ATOM 488 N CYS B 13 7.081 9.867 -0.021 1.00 0.00 N ATOM 489 CA CYS B 13 7.187 8.447 -0.339 1.00 0.00 C ATOM 490 C CYS B 13 8.269 8.200 -1.385 1.00 0.00 C ATOM 491 O CYS B 13 9.000 9.114 -1.767 1.00 0.00 O ATOM 492 CB CYS B 13 5.846 7.915 -0.851 1.00 0.00 C ATOM 493 SG CYS B 13 4.449 8.174 0.289 1.00 0.00 S ATOM 0 H CYS B 13 6.172 10.278 -0.232 1.00 0.00 H new ATOM 0 HA CYS B 13 7.459 7.919 0.575 1.00 0.00 H new ATOM 0 HB2 CYS B 13 5.617 8.396 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.944 6.848 -1.049 1.00 0.00 H new ATOM 498 N SER B 14 8.363 6.958 -1.848 1.00 0.00 N ATOM 499 CA SER B 14 9.351 6.591 -2.853 1.00 0.00 C ATOM 500 C SER B 14 8.823 6.901 -4.251 1.00 0.00 C ATOM 501 O SER B 14 7.740 6.448 -4.618 1.00 0.00 O ATOM 502 CB SER B 14 9.695 5.104 -2.743 1.00 0.00 C ATOM 503 OG SER B 14 10.226 4.796 -1.464 1.00 0.00 O ATOM 0 H SER B 14 7.766 6.189 -1.543 1.00 0.00 H new ATOM 0 HA SER B 14 10.255 7.175 -2.679 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.801 4.507 -2.923 1.00 0.00 H new ATOM 0 HB3 SER B 14 10.417 4.837 -3.514 1.00 0.00 H new ATOM 0 HG SER B 14 10.436 3.840 -1.419 1.00 0.00 H new ATOM 509 N PRO B 15 9.571 7.687 -5.048 1.00 0.00 N ATOM 510 CA PRO B 15 9.153 8.053 -6.405 1.00 0.00 C ATOM 511 C PRO B 15 9.033 6.846 -7.328 1.00 0.00 C ATOM 512 O PRO B 15 9.930 6.575 -8.127 1.00 0.00 O ATOM 513 CB PRO B 15 10.262 8.990 -6.896 1.00 0.00 C ATOM 514 CG PRO B 15 10.982 9.426 -5.667 1.00 0.00 C ATOM 515 CD PRO B 15 10.868 8.286 -4.696 1.00 0.00 C ATOM 0 HA PRO B 15 8.164 8.511 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO B 15 10.934 8.477 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO B 15 9.847 9.843 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO B 15 12.026 9.650 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO B 15 10.540 10.334 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO B 15 11.686 7.575 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO B 15 10.887 8.632 -3.662 1.00 0.00 H new ATOM 523 N LEU B 16 7.916 6.131 -7.208 1.00 0.00 N ATOM 524 CA LEU B 16 7.644 4.953 -8.025 1.00 0.00 C ATOM 525 C LEU B 16 8.850 4.035 -8.124 1.00 0.00 C ATOM 526 O LEU B 16 9.003 3.091 -7.348 1.00 0.00 O ATOM 527 CB LEU B 16 7.189 5.361 -9.430 1.00 0.00 C ATOM 528 CG LEU B 16 6.084 6.407 -9.480 1.00 0.00 C ATOM 529 CD1 LEU B 16 6.650 7.790 -9.214 1.00 0.00 C ATOM 530 CD2 LEU B 16 5.363 6.365 -10.819 1.00 0.00 C ATOM 0 H LEU B 16 7.176 6.353 -6.542 1.00 0.00 H new ATOM 0 HA LEU B 16 6.843 4.403 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU B 16 8.052 5.742 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.847 4.470 -9.956 1.00 0.00 H new ATOM 0 HG LEU B 16 5.358 6.179 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.847 8.526 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU B 16 7.112 7.810 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU B 16 7.398 8.029 -9.970 1.00 0.00 H new ATOM 0 HD21 LEU B 16 4.577 7.120 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.073 6.565 -11.621 1.00 0.00 H new ATOM 0 HD23 LEU B 16 4.921 5.379 -10.963 1.00 0.00 H new ATOM 542 N LYS B 17 9.687 4.340 -9.093 1.00 0.00 N ATOM 543 CA LYS B 17 10.907 3.579 -9.369 1.00 0.00 C ATOM 544 C LYS B 17 11.529 3.007 -8.098 1.00 0.00 C ATOM 545 O LYS B 17 11.933 3.749 -7.201 1.00 0.00 O ATOM 546 CB LYS B 17 11.934 4.457 -10.088 1.00 0.00 C ATOM 547 CG LYS B 17 11.590 4.757 -11.540 1.00 0.00 C ATOM 548 CD LYS B 17 10.474 5.782 -11.658 1.00 0.00 C ATOM 549 CE LYS B 17 10.301 6.251 -13.094 1.00 0.00 C ATOM 550 NZ LYS B 17 9.242 7.292 -13.214 1.00 0.00 N ATOM 0 H LYS B 17 9.546 5.130 -9.723 1.00 0.00 H new ATOM 0 HA LYS B 17 10.622 2.744 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS B 17 12.032 5.398 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS B 17 12.906 3.965 -10.051 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.477 5.126 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.291 3.836 -12.040 1.00 0.00 H new ATOM 0 HD2 LYS B 17 9.540 5.348 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS B 17 10.694 6.637 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS B 17 11.246 6.650 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS B 17 10.047 5.400 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 9.155 7.585 -14.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 8.335 6.903 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 9.496 8.115 -12.631 1.00 0.00 H new ATOM 564 N LEU B 18 11.601 1.679 -8.031 1.00 0.00 N ATOM 565 CA LEU B 18 12.186 0.993 -6.883 1.00 0.00 C ATOM 566 C LEU B 18 13.231 -0.020 -7.335 1.00 0.00 C ATOM 567 O LEU B 18 13.726 0.047 -8.461 1.00 0.00 O ATOM 568 CB LEU B 18 11.106 0.293 -6.060 1.00 0.00 C ATOM 569 CG LEU B 18 10.951 0.805 -4.633 1.00 0.00 C ATOM 570 CD1 LEU B 18 12.222 0.561 -3.835 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.582 2.281 -4.626 1.00 0.00 C ATOM 0 H LEU B 18 11.260 1.055 -8.762 1.00 0.00 H new ATOM 0 HA LEU B 18 12.671 1.743 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.151 0.401 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.331 -0.773 -6.025 1.00 0.00 H new ATOM 0 HG LEU B 18 10.140 0.252 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU B 18 12.091 0.934 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.433 -0.508 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU B 18 13.054 1.082 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.477 2.625 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.365 2.854 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.639 2.423 -5.154 1.00 0.00 H new ATOM 583 N THR B 19 13.563 -0.957 -6.452 1.00 0.00 N ATOM 584 CA THR B 19 14.551 -1.984 -6.765 1.00 0.00 C ATOM 585 C THR B 19 14.386 -3.198 -5.861 1.00 0.00 C ATOM 586 O THR B 19 14.038 -3.068 -4.687 1.00 0.00 O ATOM 587 CB THR B 19 15.988 -1.445 -6.620 1.00 0.00 C ATOM 588 OG1 THR B 19 16.138 -0.235 -7.372 1.00 0.00 O ATOM 589 CG2 THR B 19 17.004 -2.472 -7.100 1.00 0.00 C ATOM 0 H THR B 19 13.163 -1.026 -5.516 1.00 0.00 H new ATOM 0 HA THR B 19 14.383 -2.278 -7.801 1.00 0.00 H new ATOM 0 HB THR B 19 16.169 -1.242 -5.564 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.453 -0.197 -8.071 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.010 -2.068 -6.988 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.910 -3.382 -6.507 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.821 -2.702 -8.149 1.00 0.00 H new ATOM 597 N GLN B 20 14.643 -4.380 -6.412 1.00 0.00 N ATOM 598 CA GLN B 20 14.526 -5.619 -5.653 1.00 0.00 C ATOM 599 C GLN B 20 15.676 -5.753 -4.662 1.00 0.00 C ATOM 600 O GLN B 20 16.831 -5.908 -5.054 1.00 0.00 O ATOM 601 CB GLN B 20 14.503 -6.829 -6.589 1.00 0.00 C ATOM 602 CG GLN B 20 13.378 -6.796 -7.612 1.00 0.00 C ATOM 603 CD GLN B 20 13.734 -5.992 -8.847 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.902 -5.887 -9.217 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.724 -5.427 -9.496 1.00 0.00 N ATOM 0 H GLN B 20 14.934 -4.505 -7.382 1.00 0.00 H new ATOM 0 HA GLN B 20 13.587 -5.586 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.456 -6.888 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.411 -7.736 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.130 -7.816 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.486 -6.371 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.770 -5.540 -9.153 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.901 -4.879 -10.338 1.00 0.00 H new ATOM 614 N GLY B 21 15.348 -5.689 -3.376 1.00 0.00 N ATOM 615 CA GLY B 21 16.363 -5.802 -2.347 1.00 0.00 C ATOM 616 C GLY B 21 16.060 -4.938 -1.140 1.00 0.00 C ATOM 617 O GLY B 21 16.604 -5.160 -0.059 1.00 0.00 O ATOM 0 H GLY B 21 14.398 -5.561 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.445 -6.843 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.330 -5.517 -2.761 1.00 0.00 H new ATOM 621 N GLN B 22 15.192 -3.949 -1.327 1.00 0.00 N ATOM 622 CA GLN B 22 14.814 -3.056 -0.246 1.00 0.00 C ATOM 623 C GLN B 22 13.420 -3.393 0.256 1.00 0.00 C ATOM 624 O GLN B 22 12.725 -4.223 -0.331 1.00 0.00 O ATOM 625 CB GLN B 22 14.855 -1.594 -0.702 1.00 0.00 C ATOM 626 CG GLN B 22 15.353 -1.401 -2.125 1.00 0.00 C ATOM 627 CD GLN B 22 15.479 0.063 -2.502 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.646 0.906 -1.902 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 16.320 0.434 -3.323 1.00 0.00 N flip ATOM 0 H GLN B 22 14.739 -3.749 -2.219 1.00 0.00 H new ATOM 0 HA GLN B 22 15.531 -3.190 0.564 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.854 -1.170 -0.618 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.497 -1.031 -0.024 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.323 -1.886 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.669 -1.893 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN B 22 16.941 -0.247 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN B 22 16.395 1.422 -3.565 1.00 0.00 H new ATOM 638 N GLU B 23 13.017 -2.751 1.340 1.00 0.00 N ATOM 639 CA GLU B 23 11.698 -2.986 1.916 1.00 0.00 C ATOM 640 C GLU B 23 11.215 -1.768 2.696 1.00 0.00 C ATOM 641 O GLU B 23 11.838 -0.708 2.655 1.00 0.00 O ATOM 642 CB GLU B 23 11.736 -4.215 2.824 1.00 0.00 C ATOM 643 CG GLU B 23 12.329 -3.941 4.191 1.00 0.00 C ATOM 644 CD GLU B 23 12.335 -5.167 5.082 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.276 -5.483 5.663 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.399 -5.807 5.203 1.00 0.00 O ATOM 0 H GLU B 23 13.581 -2.064 1.840 1.00 0.00 H new ATOM 0 HA GLU B 23 10.996 -3.165 1.102 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.723 -4.597 2.947 1.00 0.00 H new ATOM 0 HB3 GLU B 23 12.315 -4.999 2.336 1.00 0.00 H new ATOM 0 HG2 GLU B 23 13.350 -3.577 4.073 1.00 0.00 H new ATOM 0 HG3 GLU B 23 11.761 -3.147 4.676 1.00 0.00 H new ATOM 653 N LEU B 24 10.101 -1.927 3.410 1.00 0.00 N ATOM 654 CA LEU B 24 9.544 -0.832 4.195 1.00 0.00 C ATOM 655 C LEU B 24 8.572 -1.342 5.254 1.00 0.00 C ATOM 656 O LEU B 24 7.911 -2.365 5.070 1.00 0.00 O ATOM 657 CB LEU B 24 8.841 0.171 3.277 1.00 0.00 C ATOM 658 CG LEU B 24 8.323 1.435 3.968 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.406 2.629 3.027 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.896 1.239 4.457 1.00 0.00 C ATOM 0 H LEU B 24 9.572 -2.797 3.460 1.00 0.00 H new ATOM 0 HA LEU B 24 10.368 -0.336 4.707 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.534 0.465 2.489 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.002 -0.329 2.794 1.00 0.00 H new ATOM 0 HG LEU B 24 8.954 1.632 4.834 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.034 3.519 3.535 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.443 2.787 2.731 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.801 2.437 2.141 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.550 2.150 4.944 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.249 1.013 3.610 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.865 0.413 5.168 1.00 0.00 H new ATOM 672 N VAL B 25 8.495 -0.616 6.367 1.00 0.00 N ATOM 673 CA VAL B 25 7.603 -0.970 7.464 1.00 0.00 C ATOM 674 C VAL B 25 6.882 0.269 7.988 1.00 0.00 C ATOM 675 O VAL B 25 7.472 1.094 8.685 1.00 0.00 O ATOM 676 CB VAL B 25 8.368 -1.638 8.624 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.441 -1.898 9.802 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.020 -2.930 8.159 1.00 0.00 C ATOM 0 H VAL B 25 9.045 0.227 6.532 1.00 0.00 H new ATOM 0 HA VAL B 25 6.876 -1.681 7.072 1.00 0.00 H new ATOM 0 HB VAL B 25 9.153 -0.957 8.953 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.002 -2.370 10.609 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.025 -0.954 10.153 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.631 -2.557 9.489 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.555 -3.387 8.991 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.253 -3.616 7.800 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.720 -2.714 7.352 1.00 0.00 H new ATOM 688 N LEU B 26 5.602 0.394 7.645 1.00 0.00 N ATOM 689 CA LEU B 26 4.804 1.535 8.077 1.00 0.00 C ATOM 690 C LEU B 26 4.142 1.263 9.424 1.00 0.00 C ATOM 691 O LEU B 26 3.785 0.128 9.734 1.00 0.00 O ATOM 692 CB LEU B 26 3.740 1.865 7.028 1.00 0.00 C ATOM 693 CG LEU B 26 2.895 3.106 7.327 1.00 0.00 C ATOM 694 CD1 LEU B 26 3.762 4.355 7.338 1.00 0.00 C ATOM 695 CD2 LEU B 26 1.772 3.243 6.309 1.00 0.00 C ATOM 0 H LEU B 26 5.097 -0.281 7.070 1.00 0.00 H new ATOM 0 HA LEU B 26 5.471 2.389 8.190 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.232 2.003 6.065 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.075 1.008 6.926 1.00 0.00 H new ATOM 0 HG LEU B 26 2.452 2.990 8.316 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.143 5.226 7.552 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.530 4.258 8.105 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.236 4.478 6.364 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.181 4.130 6.536 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.196 3.336 5.309 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.133 2.361 6.351 1.00 0.00 H new ATOM 707 N THR B 27 3.983 2.317 10.220 1.00 0.00 N ATOM 708 CA THR B 27 3.366 2.197 11.534 1.00 0.00 C ATOM 709 C THR B 27 2.747 3.522 11.970 1.00 0.00 C ATOM 710 O THR B 27 3.454 4.506 12.187 1.00 0.00 O ATOM 711 CB THR B 27 4.386 1.745 12.597 1.00 0.00 C ATOM 712 OG1 THR B 27 4.976 0.498 12.210 1.00 0.00 O ATOM 713 CG2 THR B 27 3.723 1.594 13.959 1.00 0.00 C ATOM 0 H THR B 27 4.274 3.264 9.976 1.00 0.00 H new ATOM 0 HA THR B 27 2.585 1.442 11.450 1.00 0.00 H new ATOM 0 HB THR B 27 5.160 2.509 12.671 1.00 0.00 H new ATOM 0 HG1 THR B 27 5.624 0.218 12.890 1.00 0.00 H new ATOM 0 HG21 THR B 27 4.464 1.274 14.691 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.299 2.550 14.266 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.930 0.849 13.897 1.00 0.00 H new ATOM 721 N LEU B 28 1.422 3.540 12.094 1.00 0.00 N ATOM 722 CA LEU B 28 0.711 4.746 12.502 1.00 0.00 C ATOM 723 C LEU B 28 0.025 4.544 13.855 1.00 0.00 C ATOM 724 O LEU B 28 -0.301 3.417 14.228 1.00 0.00 O ATOM 725 CB LEU B 28 -0.324 5.136 11.446 1.00 0.00 C ATOM 726 CG LEU B 28 0.242 5.379 10.043 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.885 5.648 9.055 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.227 6.540 10.056 1.00 0.00 C ATOM 0 H LEU B 28 0.821 2.735 11.918 1.00 0.00 H new ATOM 0 HA LEU B 28 1.440 5.551 12.601 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.075 4.348 11.387 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.835 6.040 11.777 1.00 0.00 H new ATOM 0 HG LEU B 28 0.774 4.482 9.726 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.466 5.819 8.063 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.554 4.788 9.023 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.442 6.530 9.370 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.618 6.697 9.051 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.720 7.444 10.393 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.050 6.312 10.734 1.00 0.00 H new ATOM 740 N PRO B 29 -0.201 5.639 14.605 1.00 0.00 N ATOM 741 CA PRO B 29 -0.845 5.575 15.916 1.00 0.00 C ATOM 742 C PRO B 29 -2.368 5.538 15.821 1.00 0.00 C ATOM 743 O PRO B 29 -2.983 6.410 15.206 1.00 0.00 O ATOM 744 CB PRO B 29 -0.381 6.868 16.580 1.00 0.00 C ATOM 745 CG PRO B 29 -0.224 7.834 15.454 1.00 0.00 C ATOM 746 CD PRO B 29 0.158 7.023 14.238 1.00 0.00 C ATOM 0 HA PRO B 29 -0.581 4.670 16.463 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.110 7.223 17.308 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.559 6.725 17.113 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.151 8.380 15.280 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.543 8.574 15.683 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.383 7.354 13.351 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.221 7.114 14.015 1.00 0.00 H new ATOM 754 N SER B 30 -2.967 4.524 16.437 1.00 0.00 N ATOM 755 CA SER B 30 -4.418 4.366 16.429 1.00 0.00 C ATOM 756 C SER B 30 -4.845 3.235 17.359 1.00 0.00 C ATOM 757 O SER B 30 -4.550 2.067 17.106 1.00 0.00 O ATOM 758 CB SER B 30 -4.918 4.092 15.009 1.00 0.00 C ATOM 759 OG SER B 30 -6.326 3.926 14.987 1.00 0.00 O ATOM 0 H SER B 30 -2.468 3.797 16.950 1.00 0.00 H new ATOM 0 HA SER B 30 -4.861 5.295 16.787 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.636 4.917 14.355 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.437 3.196 14.617 1.00 0.00 H new ATOM 0 HG SER B 30 -6.760 4.786 15.166 1.00 0.00 H new ATOM 765 N ASN B 31 -5.542 3.590 18.434 1.00 0.00 N ATOM 766 CA ASN B 31 -6.009 2.603 19.402 1.00 0.00 C ATOM 767 C ASN B 31 -7.223 1.845 18.867 1.00 0.00 C ATOM 768 O ASN B 31 -8.107 2.439 18.251 1.00 0.00 O ATOM 769 CB ASN B 31 -6.358 3.283 20.727 1.00 0.00 C ATOM 770 CG ASN B 31 -5.173 4.004 21.338 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.412 3.426 22.115 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.011 5.276 20.991 1.00 0.00 N ATOM 0 H ASN B 31 -5.796 4.553 18.657 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.204 1.887 19.571 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.168 3.994 20.565 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.726 2.535 21.430 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.232 5.813 21.372 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.666 5.715 20.344 1.00 0.00 H new ATOM 779 N PRO B 32 -7.283 0.519 19.098 1.00 0.00 N ATOM 780 CA PRO B 32 -8.397 -0.314 18.636 1.00 0.00 C ATOM 781 C PRO B 32 -9.626 -0.197 19.533 1.00 0.00 C ATOM 782 O PRO B 32 -10.703 -0.685 19.193 1.00 0.00 O ATOM 783 CB PRO B 32 -7.815 -1.721 18.708 1.00 0.00 C ATOM 784 CG PRO B 32 -6.876 -1.655 19.859 1.00 0.00 C ATOM 785 CD PRO B 32 -6.273 -0.277 19.822 1.00 0.00 C ATOM 0 HA PRO B 32 -8.748 -0.024 17.646 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.592 -2.468 18.868 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.300 -1.989 17.786 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -7.399 -1.827 20.800 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -6.105 -2.421 19.778 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -6.098 0.112 20.825 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.313 -0.272 19.306 1.00 0.00 H new ATOM 793 N THR B 33 -9.457 0.456 20.678 1.00 0.00 N ATOM 794 CA THR B 33 -10.552 0.636 21.626 1.00 0.00 C ATOM 795 C THR B 33 -11.470 1.775 21.199 1.00 0.00 C ATOM 796 O THR B 33 -12.458 2.073 21.872 1.00 0.00 O ATOM 797 CB THR B 33 -10.024 0.922 23.044 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.222 2.109 23.040 1.00 0.00 O ATOM 799 CG2 THR B 33 -9.202 -0.248 23.563 1.00 0.00 C ATOM 0 H THR B 33 -8.572 0.870 20.973 1.00 0.00 H new ATOM 0 HA THR B 33 -11.117 -0.296 21.636 1.00 0.00 H new ATOM 0 HB THR B 33 -10.881 1.065 23.703 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.892 2.284 23.946 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.840 -0.022 24.566 1.00 0.00 H new ATOM 0 HG22 THR B 33 -9.823 -1.143 23.594 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.353 -0.418 22.901 1.00 0.00 H new ATOM 807 N THR B 34 -11.142 2.410 20.079 1.00 0.00 N ATOM 808 CA THR B 34 -11.939 3.517 19.565 1.00 0.00 C ATOM 809 C THR B 34 -12.855 3.057 18.437 1.00 0.00 C ATOM 810 O THR B 34 -14.076 3.204 18.515 1.00 0.00 O ATOM 811 CB THR B 34 -11.048 4.663 19.053 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.193 4.189 18.005 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.202 5.237 20.181 1.00 0.00 C ATOM 0 H THR B 34 -10.329 2.176 19.509 1.00 0.00 H new ATOM 0 HA THR B 34 -12.544 3.882 20.395 1.00 0.00 H new ATOM 0 HB THR B 34 -11.695 5.451 18.667 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.510 3.597 18.383 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.581 6.045 19.795 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.854 5.623 20.965 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.565 4.454 20.592 1.00 0.00 H new ATOM 821 N GLY B 35 -12.260 2.499 17.387 1.00 0.00 N ATOM 822 CA GLY B 35 -13.036 2.026 16.257 1.00 0.00 C ATOM 823 C GLY B 35 -12.396 2.390 14.933 1.00 0.00 C ATOM 824 O GLY B 35 -12.337 1.571 14.017 1.00 0.00 O ATOM 0 H GLY B 35 -11.252 2.366 17.299 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.145 0.943 16.321 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.039 2.451 16.303 1.00 0.00 H new ATOM 828 N PHE B 36 -11.915 3.625 14.835 1.00 0.00 N ATOM 829 CA PHE B 36 -11.273 4.104 13.622 1.00 0.00 C ATOM 830 C PHE B 36 -9.868 3.524 13.487 1.00 0.00 C ATOM 831 O PHE B 36 -8.928 3.991 14.131 1.00 0.00 O ATOM 832 CB PHE B 36 -11.212 5.632 13.630 1.00 0.00 C ATOM 833 CG PHE B 36 -12.557 6.291 13.517 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.379 6.416 14.624 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.997 6.788 12.299 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.615 7.025 14.522 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.231 7.398 12.190 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.042 7.517 13.303 1.00 0.00 C ATOM 0 H PHE B 36 -11.959 4.313 15.587 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.864 3.774 12.767 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.732 5.963 14.551 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.583 5.966 12.805 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.050 6.033 15.579 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.367 6.697 11.426 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.246 7.116 15.393 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.562 7.782 11.236 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.008 7.994 13.220 1.00 0.00 H new ATOM 848 N ARG B 37 -9.738 2.499 12.654 1.00 0.00 N ATOM 849 CA ARG B 37 -8.449 1.849 12.429 1.00 0.00 C ATOM 850 C ARG B 37 -7.876 2.215 11.066 1.00 0.00 C ATOM 851 O ARG B 37 -8.263 3.217 10.462 1.00 0.00 O ATOM 852 CB ARG B 37 -8.598 0.332 12.522 1.00 0.00 C ATOM 853 CG ARG B 37 -8.694 -0.190 13.946 1.00 0.00 C ATOM 854 CD ARG B 37 -7.381 -0.024 14.695 1.00 0.00 C ATOM 855 NE ARG B 37 -6.303 -0.800 14.087 1.00 0.00 N ATOM 856 CZ ARG B 37 -5.160 -1.084 14.702 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.946 -0.659 15.941 1.00 0.00 N ATOM 858 NH2 ARG B 37 -4.229 -1.797 14.082 1.00 0.00 N ATOM 0 H ARG B 37 -10.510 2.098 12.121 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.764 2.199 13.201 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.490 0.030 11.974 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.747 -0.138 12.030 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.485 0.341 14.476 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.973 -1.244 13.929 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.104 1.030 14.712 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.513 -0.336 15.731 1.00 0.00 H new ATOM 0 HE ARG B 37 -6.435 -1.144 13.136 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.660 -0.113 16.423 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -4.068 -0.878 16.411 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.390 -2.129 13.131 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.352 -2.014 14.556 1.00 0.00 H new ATOM 872 N TRP B 38 -6.946 1.392 10.588 1.00 0.00 N ATOM 873 CA TRP B 38 -6.318 1.615 9.294 1.00 0.00 C ATOM 874 C TRP B 38 -6.478 0.391 8.398 1.00 0.00 C ATOM 875 O TRP B 38 -6.180 -0.733 8.804 1.00 0.00 O ATOM 876 CB TRP B 38 -4.832 1.944 9.464 1.00 0.00 C ATOM 877 CG TRP B 38 -4.578 3.249 10.160 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.436 3.445 11.502 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.435 4.536 9.547 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.214 4.777 11.764 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.208 5.466 10.579 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.474 4.994 8.226 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.023 6.825 10.333 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.292 6.344 7.981 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.069 7.245 9.031 1.00 0.00 C ATOM 0 H TRP B 38 -6.612 0.564 11.081 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.815 2.463 8.822 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.354 1.143 10.028 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.360 1.968 8.482 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.490 2.668 12.250 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -4.076 5.185 12.689 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.643 4.306 7.411 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.850 7.521 11.140 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.322 6.709 6.965 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.931 8.293 8.808 1.00 0.00 H new ATOM 896 N GLU B 39 -6.953 0.614 7.174 1.00 0.00 N ATOM 897 CA GLU B 39 -7.156 -0.473 6.223 1.00 0.00 C ATOM 898 C GLU B 39 -6.260 -0.310 4.999 1.00 0.00 C ATOM 899 O GLU B 39 -5.867 0.804 4.649 1.00 0.00 O ATOM 900 CB GLU B 39 -8.622 -0.530 5.789 1.00 0.00 C ATOM 901 CG GLU B 39 -9.579 -0.868 6.920 1.00 0.00 C ATOM 902 CD GLU B 39 -9.303 -2.227 7.530 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.879 -3.224 7.043 1.00 0.00 O ATOM 904 OE2 GLU B 39 -8.512 -2.298 8.493 1.00 0.00 O ATOM 0 H GLU B 39 -7.204 1.537 6.819 1.00 0.00 H new ATOM 0 HA GLU B 39 -6.891 -1.406 6.720 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -8.903 0.432 5.362 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -8.730 -1.273 4.999 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.505 -0.104 7.694 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.602 -0.843 6.545 1.00 0.00 H new ATOM 911 N LEU B 40 -5.942 -1.429 4.354 1.00 0.00 N ATOM 912 CA LEU B 40 -5.093 -1.415 3.168 1.00 0.00 C ATOM 913 C LEU B 40 -5.935 -1.415 1.895 1.00 0.00 C ATOM 914 O LEU B 40 -6.399 -2.462 1.445 1.00 0.00 O ATOM 915 CB LEU B 40 -4.157 -2.628 3.164 1.00 0.00 C ATOM 916 CG LEU B 40 -3.025 -2.583 4.194 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.266 -3.901 4.205 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.082 -1.428 3.902 1.00 0.00 C ATOM 0 H LEU B 40 -6.260 -2.357 4.633 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.498 -0.502 3.195 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.751 -3.525 3.340 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.719 -2.725 2.171 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.462 -2.427 5.180 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.465 -3.853 4.942 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.948 -4.711 4.462 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.841 -4.084 3.218 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.284 -1.413 4.645 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.651 -1.553 2.909 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.634 -0.489 3.943 1.00 0.00 H new ATOM 930 N ARG B 41 -6.133 -0.231 1.322 1.00 0.00 N ATOM 931 CA ARG B 41 -6.910 -0.097 0.097 1.00 0.00 C ATOM 932 C ARG B 41 -6.184 -0.761 -1.069 1.00 0.00 C ATOM 933 O ARG B 41 -6.794 -1.101 -2.083 1.00 0.00 O ATOM 934 CB ARG B 41 -7.162 1.380 -0.215 1.00 0.00 C ATOM 935 CG ARG B 41 -7.929 2.115 0.873 1.00 0.00 C ATOM 936 CD ARG B 41 -9.357 1.604 0.993 1.00 0.00 C ATOM 937 NE ARG B 41 -10.101 1.765 -0.254 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.126 0.997 -0.605 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.526 0.014 0.188 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.754 1.210 -1.755 1.00 0.00 N ATOM 0 H ARG B 41 -5.766 0.648 1.687 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.869 -0.594 0.242 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.205 1.877 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.716 1.455 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.416 1.992 1.827 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.941 3.182 0.653 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.343 0.551 1.274 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.868 2.140 1.792 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.817 2.509 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.046 -0.155 1.072 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.314 -0.573 -0.086 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.449 1.964 -2.370 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.541 0.619 -2.023 1.00 0.00 H new ATOM 954 N ASN B 42 -4.875 -0.941 -0.912 1.00 0.00 N ATOM 955 CA ASN B 42 -4.052 -1.565 -1.940 1.00 0.00 C ATOM 956 C ASN B 42 -2.673 -1.919 -1.380 1.00 0.00 C ATOM 957 O ASN B 42 -1.765 -1.089 -1.383 1.00 0.00 O ATOM 958 CB ASN B 42 -3.904 -0.632 -3.144 1.00 0.00 C ATOM 959 CG ASN B 42 -3.207 -1.301 -4.313 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.265 -2.521 -4.470 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.547 -0.504 -5.144 1.00 0.00 N ATOM 0 H ASN B 42 -4.361 -0.661 -0.077 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.545 -2.482 -2.264 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.890 -0.291 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.341 0.253 -2.847 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.062 -0.897 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.525 0.502 -4.976 1.00 0.00 H new ATOM 968 N PRO B 43 -2.501 -3.160 -0.884 1.00 0.00 N ATOM 969 CA PRO B 43 -1.227 -3.611 -0.308 1.00 0.00 C ATOM 970 C PRO B 43 -0.133 -3.787 -1.353 1.00 0.00 C ATOM 971 O PRO B 43 1.020 -4.059 -1.015 1.00 0.00 O ATOM 972 CB PRO B 43 -1.581 -4.963 0.315 1.00 0.00 C ATOM 973 CG PRO B 43 -2.740 -5.449 -0.483 1.00 0.00 C ATOM 974 CD PRO B 43 -3.527 -4.221 -0.848 1.00 0.00 C ATOM 0 HA PRO B 43 -0.827 -2.883 0.398 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.742 -5.657 0.260 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.840 -4.859 1.369 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.406 -5.979 -1.375 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.348 -6.146 0.094 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -4.024 -4.333 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.302 -4.006 -0.112 1.00 0.00 H new ATOM 982 N ALA B 44 -0.496 -3.633 -2.624 1.00 0.00 N ATOM 983 CA ALA B 44 0.462 -3.783 -3.714 1.00 0.00 C ATOM 984 C ALA B 44 1.103 -5.166 -3.682 1.00 0.00 C ATOM 985 O ALA B 44 2.208 -5.359 -4.184 1.00 0.00 O ATOM 986 CB ALA B 44 1.533 -2.706 -3.633 1.00 0.00 C ATOM 0 H ALA B 44 -1.444 -3.405 -2.923 1.00 0.00 H new ATOM 0 HA ALA B 44 -0.075 -3.673 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.239 -2.833 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.067 -1.723 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.061 -2.789 -2.683 1.00 0.00 H new ATOM 992 N ALA B 45 0.398 -6.126 -3.089 1.00 0.00 N ATOM 993 CA ALA B 45 0.894 -7.493 -2.981 1.00 0.00 C ATOM 994 C ALA B 45 1.217 -8.083 -4.352 1.00 0.00 C ATOM 995 O ALA B 45 1.841 -9.139 -4.451 1.00 0.00 O ATOM 996 CB ALA B 45 -0.121 -8.365 -2.255 1.00 0.00 C ATOM 0 H ALA B 45 -0.523 -5.980 -2.675 1.00 0.00 H new ATOM 0 HA ALA B 45 1.819 -7.468 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.261 -9.383 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.292 -7.968 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.060 -8.369 -2.809 1.00 0.00 H new ATOM 1002 N SER B 46 0.789 -7.395 -5.406 1.00 0.00 N ATOM 1003 CA SER B 46 1.034 -7.852 -6.769 1.00 0.00 C ATOM 1004 C SER B 46 2.530 -7.939 -7.059 1.00 0.00 C ATOM 1005 O SER B 46 2.973 -8.805 -7.814 1.00 0.00 O ATOM 1006 CB SER B 46 0.362 -6.911 -7.772 1.00 0.00 C ATOM 1007 OG SER B 46 -1.037 -6.856 -7.562 1.00 0.00 O ATOM 0 H SER B 46 0.271 -6.519 -5.342 1.00 0.00 H new ATOM 0 HA SER B 46 0.607 -8.850 -6.871 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.786 -5.911 -7.678 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.567 -7.250 -8.787 1.00 0.00 H new ATOM 0 HG SER B 46 -1.442 -6.247 -8.214 1.00 0.00 H new ATOM 1013 N VAL B 47 3.304 -7.038 -6.459 1.00 0.00 N ATOM 1014 CA VAL B 47 4.749 -7.018 -6.660 1.00 0.00 C ATOM 1015 C VAL B 47 5.494 -7.054 -5.331 1.00 0.00 C ATOM 1016 O VAL B 47 6.650 -7.475 -5.265 1.00 0.00 O ATOM 1017 CB VAL B 47 5.188 -5.769 -7.446 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.543 -5.754 -8.822 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.848 -4.503 -6.675 1.00 0.00 C ATOM 0 H VAL B 47 2.955 -6.314 -5.831 1.00 0.00 H new ATOM 0 HA VAL B 47 4.998 -7.910 -7.235 1.00 0.00 H new ATOM 0 HB VAL B 47 6.270 -5.805 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.864 -4.865 -9.364 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.844 -6.644 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.458 -5.742 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.166 -3.632 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.772 -4.455 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.362 -4.513 -5.714 1.00 0.00 H new ATOM 1029 N LEU B 48 4.824 -6.609 -4.274 1.00 0.00 N ATOM 1030 CA LEU B 48 5.422 -6.585 -2.946 1.00 0.00 C ATOM 1031 C LEU B 48 5.028 -7.821 -2.144 1.00 0.00 C ATOM 1032 O LEU B 48 3.916 -8.331 -2.277 1.00 0.00 O ATOM 1033 CB LEU B 48 4.995 -5.319 -2.197 1.00 0.00 C ATOM 1034 CG LEU B 48 5.378 -4.003 -2.879 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.849 -2.820 -2.082 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.888 -3.902 -3.045 1.00 0.00 C ATOM 0 H LEU B 48 3.866 -6.260 -4.312 1.00 0.00 H new ATOM 0 HA LEU B 48 6.506 -6.585 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.913 -5.341 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.438 -5.337 -1.201 1.00 0.00 H new ATOM 0 HG LEU B 48 4.924 -3.985 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.129 -1.892 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.763 -2.882 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.275 -2.837 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.138 -2.959 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.365 -3.943 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.243 -4.732 -3.656 1.00 0.00 H new ATOM 1048 N LYS B 49 5.953 -8.297 -1.317 1.00 0.00 N ATOM 1049 CA LYS B 49 5.709 -9.469 -0.486 1.00 0.00 C ATOM 1050 C LYS B 49 5.843 -9.104 0.992 1.00 0.00 C ATOM 1051 O LYS B 49 5.771 -7.929 1.348 1.00 0.00 O ATOM 1052 CB LYS B 49 6.685 -10.589 -0.860 1.00 0.00 C ATOM 1053 CG LYS B 49 6.167 -11.983 -0.549 1.00 0.00 C ATOM 1054 CD LYS B 49 6.526 -12.963 -1.651 1.00 0.00 C ATOM 1055 CE LYS B 49 5.721 -12.699 -2.912 1.00 0.00 C ATOM 1056 NZ LYS B 49 6.020 -13.689 -3.983 1.00 0.00 N ATOM 0 H LYS B 49 6.880 -7.888 -1.205 1.00 0.00 H new ATOM 0 HA LYS B 49 4.693 -9.824 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.908 -10.524 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.623 -10.433 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.586 -12.326 0.397 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.084 -11.952 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.590 -12.888 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS B 49 6.344 -13.981 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS B 49 4.657 -12.731 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS B 49 5.937 -11.695 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 5.450 -13.472 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 7.030 -13.642 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 5.790 -14.645 -3.646 1.00 0.00 H new ATOM 1070 N ARG B 50 6.028 -10.107 1.845 1.00 0.00 N ATOM 1071 CA ARG B 50 6.171 -9.880 3.281 1.00 0.00 C ATOM 1072 C ARG B 50 4.896 -9.298 3.883 1.00 0.00 C ATOM 1073 O ARG B 50 4.909 -8.782 4.999 1.00 0.00 O ATOM 1074 CB ARG B 50 7.363 -8.961 3.564 1.00 0.00 C ATOM 1075 CG ARG B 50 8.651 -9.710 3.881 1.00 0.00 C ATOM 1076 CD ARG B 50 9.024 -10.689 2.778 1.00 0.00 C ATOM 1077 NE ARG B 50 10.280 -11.376 3.059 1.00 0.00 N ATOM 1078 CZ ARG B 50 10.754 -12.380 2.327 1.00 0.00 C ATOM 1079 NH1 ARG B 50 10.077 -12.813 1.271 1.00 0.00 N ATOM 1080 NH2 ARG B 50 11.905 -12.950 2.648 1.00 0.00 N ATOM 0 H ARG B 50 6.083 -11.087 1.567 1.00 0.00 H new ATOM 0 HA ARG B 50 6.353 -10.846 3.753 1.00 0.00 H new ATOM 0 HB2 ARG B 50 7.530 -8.320 2.699 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.117 -8.309 4.402 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.462 -8.995 4.021 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.535 -10.249 4.821 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.227 -11.424 2.661 1.00 0.00 H new ATOM 0 HD3 ARG B 50 9.107 -10.155 1.832 1.00 0.00 H new ATOM 0 HE ARG B 50 10.826 -11.068 3.864 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.191 -12.376 1.019 1.00 0.00 H new ATOM 0 HH12 ARG B 50 10.443 -13.583 0.711 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.430 -12.619 3.458 1.00 0.00 H new ATOM 0 HH22 ARG B 50 12.267 -13.720 2.086 1.00 0.00 H new ATOM 1094 N LEU B 51 3.793 -9.399 3.143 1.00 0.00 N ATOM 1095 CA LEU B 51 2.506 -8.888 3.609 1.00 0.00 C ATOM 1096 C LEU B 51 2.185 -9.424 5.001 1.00 0.00 C ATOM 1097 O LEU B 51 2.242 -8.692 5.989 1.00 0.00 O ATOM 1098 CB LEU B 51 1.385 -9.275 2.637 1.00 0.00 C ATOM 1099 CG LEU B 51 1.344 -8.493 1.318 1.00 0.00 C ATOM 1100 CD1 LEU B 51 1.235 -6.998 1.580 1.00 0.00 C ATOM 1101 CD2 LEU B 51 2.568 -8.799 0.469 1.00 0.00 C ATOM 0 H LEU B 51 3.765 -9.830 2.219 1.00 0.00 H new ATOM 0 HA LEU B 51 2.575 -7.801 3.655 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.481 -10.336 2.405 1.00 0.00 H new ATOM 0 HB3 LEU B 51 0.429 -9.145 3.144 1.00 0.00 H new ATOM 0 HG LEU B 51 0.459 -8.809 0.766 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.208 -6.463 0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 51 0.322 -6.792 2.139 1.00 0.00 H new ATOM 0 HD13 LEU B 51 2.097 -6.666 2.158 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.516 -8.233 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU B 51 3.469 -8.519 1.015 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.597 -9.865 0.244 1.00 0.00 H new ATOM 1113 N GLY B 52 1.846 -10.708 5.068 1.00 0.00 N ATOM 1114 CA GLY B 52 1.518 -11.328 6.340 1.00 0.00 C ATOM 1115 C GLY B 52 0.262 -10.752 6.967 1.00 0.00 C ATOM 1116 O GLY B 52 -0.319 -9.805 6.437 1.00 0.00 O ATOM 0 H GLY B 52 1.792 -11.331 4.263 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.387 -12.400 6.194 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.354 -11.200 7.028 1.00 0.00 H new ATOM 1120 N PRO B 53 -0.183 -11.311 8.106 1.00 0.00 N ATOM 1121 CA PRO B 53 -1.381 -10.848 8.804 1.00 0.00 C ATOM 1122 C PRO B 53 -1.105 -9.642 9.696 1.00 0.00 C ATOM 1123 O PRO B 53 -0.049 -9.017 9.602 1.00 0.00 O ATOM 1124 CB PRO B 53 -1.758 -12.062 9.646 1.00 0.00 C ATOM 1125 CG PRO B 53 -0.454 -12.697 9.982 1.00 0.00 C ATOM 1126 CD PRO B 53 0.451 -12.449 8.803 1.00 0.00 C ATOM 0 HA PRO B 53 -2.162 -10.514 8.120 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -2.301 -11.769 10.545 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -2.402 -12.745 9.093 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -0.035 -12.267 10.892 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -0.576 -13.765 10.161 1.00 0.00 H new ATOM 0 HD2 PRO B 53 1.465 -12.209 9.121 1.00 0.00 H new ATOM 0 HD3 PRO B 53 0.518 -13.326 8.159 1.00 0.00 H new ATOM 1134 N GLU B 54 -2.063 -9.321 10.561 1.00 0.00 N ATOM 1135 CA GLU B 54 -1.924 -8.190 11.472 1.00 0.00 C ATOM 1136 C GLU B 54 -1.302 -8.633 12.793 1.00 0.00 C ATOM 1137 O GLU B 54 -1.580 -9.725 13.287 1.00 0.00 O ATOM 1138 CB GLU B 54 -3.286 -7.542 11.726 1.00 0.00 C ATOM 1139 CG GLU B 54 -4.312 -8.493 12.320 1.00 0.00 C ATOM 1140 CD GLU B 54 -5.648 -7.821 12.574 1.00 0.00 C ATOM 1141 OE1 GLU B 54 -6.499 -7.826 11.659 1.00 0.00 O ATOM 1142 OE2 GLU B 54 -5.846 -7.291 13.688 1.00 0.00 O ATOM 0 H GLU B 54 -2.943 -9.828 10.650 1.00 0.00 H new ATOM 0 HA GLU B 54 -1.264 -7.457 11.007 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.156 -6.695 12.399 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.671 -7.146 10.786 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -4.456 -9.336 11.644 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -3.928 -8.897 13.257 1.00 0.00 H new ATOM 1149 N VAL B 55 -0.459 -7.775 13.359 1.00 0.00 N ATOM 1150 CA VAL B 55 0.203 -8.078 14.623 1.00 0.00 C ATOM 1151 C VAL B 55 -0.523 -7.426 15.796 1.00 0.00 C ATOM 1152 O VAL B 55 -0.675 -6.206 15.842 1.00 0.00 O ATOM 1153 CB VAL B 55 1.672 -7.607 14.613 1.00 0.00 C ATOM 1154 CG1 VAL B 55 2.346 -7.925 15.939 1.00 0.00 C ATOM 1155 CG2 VAL B 55 2.427 -8.240 13.456 1.00 0.00 C ATOM 0 H VAL B 55 -0.219 -6.866 12.963 1.00 0.00 H new ATOM 0 HA VAL B 55 0.177 -9.161 14.743 1.00 0.00 H new ATOM 0 HB VAL B 55 1.686 -6.526 14.477 1.00 0.00 H new ATOM 0 HG11 VAL B 55 3.381 -7.585 15.912 1.00 0.00 H new ATOM 0 HG12 VAL B 55 1.818 -7.417 16.746 1.00 0.00 H new ATOM 0 HG13 VAL B 55 2.322 -9.001 16.110 1.00 0.00 H new ATOM 0 HG21 VAL B 55 3.461 -7.896 13.465 1.00 0.00 H new ATOM 0 HG22 VAL B 55 2.404 -9.325 13.557 1.00 0.00 H new ATOM 0 HG23 VAL B 55 1.958 -7.953 12.515 1.00 0.00 H new ATOM 1165 N TYR B 56 -0.970 -8.249 16.739 1.00 0.00 N ATOM 1166 CA TYR B 56 -1.680 -7.754 17.913 1.00 0.00 C ATOM 1167 C TYR B 56 -1.596 -8.758 19.060 1.00 0.00 C ATOM 1168 O TYR B 56 -2.367 -9.716 19.116 1.00 0.00 O ATOM 1169 CB TYR B 56 -3.143 -7.471 17.570 1.00 0.00 C ATOM 1170 CG TYR B 56 -3.940 -6.901 18.723 1.00 0.00 C ATOM 1171 CD1 TYR B 56 -3.880 -5.546 19.030 1.00 0.00 C ATOM 1172 CD2 TYR B 56 -4.751 -7.715 19.503 1.00 0.00 C ATOM 1173 CE1 TYR B 56 -4.607 -5.022 20.081 1.00 0.00 C ATOM 1174 CE2 TYR B 56 -5.481 -7.197 20.556 1.00 0.00 C ATOM 1175 CZ TYR B 56 -5.405 -5.850 20.842 1.00 0.00 C ATOM 1176 OH TYR B 56 -6.131 -5.331 21.890 1.00 0.00 O ATOM 0 H TYR B 56 -0.853 -9.262 16.713 1.00 0.00 H new ATOM 0 HA TYR B 56 -1.205 -6.826 18.231 1.00 0.00 H new ATOM 0 HB2 TYR B 56 -3.182 -6.774 16.733 1.00 0.00 H new ATOM 0 HB3 TYR B 56 -3.614 -8.396 17.237 1.00 0.00 H new ATOM 0 HD1 TYR B 56 -3.256 -4.894 18.438 1.00 0.00 H new ATOM 0 HD2 TYR B 56 -4.812 -8.771 19.283 1.00 0.00 H new ATOM 0 HE1 TYR B 56 -4.551 -3.967 20.306 1.00 0.00 H new ATOM 0 HE2 TYR B 56 -6.108 -7.844 21.152 1.00 0.00 H new ATOM 0 HH TYR B 56 -6.641 -6.048 22.322 1.00 0.00 H new ATOM 1186 N SER B 57 -0.652 -8.531 19.969 1.00 0.00 N ATOM 1187 CA SER B 57 -0.464 -9.414 21.116 1.00 0.00 C ATOM 1188 C SER B 57 0.532 -8.816 22.103 1.00 0.00 C ATOM 1189 O SER B 57 1.091 -7.745 21.866 1.00 0.00 O ATOM 1190 CB SER B 57 0.021 -10.790 20.656 1.00 0.00 C ATOM 1191 OG SER B 57 1.251 -10.689 19.957 1.00 0.00 O ATOM 0 H SER B 57 -0.005 -7.743 19.934 1.00 0.00 H new ATOM 0 HA SER B 57 -1.425 -9.526 21.617 1.00 0.00 H new ATOM 0 HB2 SER B 57 0.142 -11.444 21.520 1.00 0.00 H new ATOM 0 HB3 SER B 57 -0.730 -11.248 20.013 1.00 0.00 H new ATOM 0 HG SER B 57 1.541 -11.582 19.675 1.00 0.00 H new ATOM 1197 N ASN B 58 0.751 -9.515 23.213 1.00 0.00 N ATOM 1198 CA ASN B 58 1.680 -9.055 24.238 1.00 0.00 C ATOM 1199 C ASN B 58 2.997 -9.821 24.159 1.00 0.00 C ATOM 1200 O ASN B 58 3.009 -11.050 24.096 1.00 0.00 O ATOM 1201 CB ASN B 58 1.061 -9.218 25.628 1.00 0.00 C ATOM 1202 CG ASN B 58 0.700 -10.658 25.935 1.00 0.00 C ATOM 1203 OD1 ASN B 58 -0.410 -11.106 25.648 1.00 0.00 O ATOM 1204 ND2 ASN B 58 1.638 -11.392 26.523 1.00 0.00 N ATOM 0 H ASN B 58 0.297 -10.403 23.425 1.00 0.00 H new ATOM 0 HA ASN B 58 1.884 -7.999 24.063 1.00 0.00 H new ATOM 0 HB2 ASN B 58 1.761 -8.854 26.380 1.00 0.00 H new ATOM 0 HB3 ASN B 58 0.167 -8.599 25.699 1.00 0.00 H new ATOM 0 HD21 ASN B 58 1.452 -12.368 26.754 1.00 0.00 H new ATOM 0 HD22 ASN B 58 2.545 -10.980 26.743 1.00 0.00 H new ATOM 1211 N SER B 59 4.104 -9.085 24.164 1.00 0.00 N ATOM 1212 CA SER B 59 5.427 -9.694 24.094 1.00 0.00 C ATOM 1213 C SER B 59 6.505 -8.710 24.537 1.00 0.00 C ATOM 1214 O SER B 59 7.338 -9.025 25.387 1.00 0.00 O ATOM 1215 CB SER B 59 5.715 -10.176 22.671 1.00 0.00 C ATOM 1216 OG SER B 59 5.670 -9.102 21.748 1.00 0.00 O ATOM 0 H SER B 59 4.111 -8.066 24.216 1.00 0.00 H new ATOM 0 HA SER B 59 5.441 -10.549 24.770 1.00 0.00 H new ATOM 0 HB2 SER B 59 6.697 -10.648 22.636 1.00 0.00 H new ATOM 0 HB3 SER B 59 4.986 -10.935 22.386 1.00 0.00 H new ATOM 0 HG SER B 59 5.859 -9.437 20.847 1.00 0.00 H new ATOM 1222 N GLU B 60 6.484 -7.515 23.953 1.00 0.00 N ATOM 1223 CA GLU B 60 7.458 -6.482 24.286 1.00 0.00 C ATOM 1224 C GLU B 60 7.103 -5.797 25.601 1.00 0.00 C ATOM 1225 O GLU B 60 5.977 -5.335 25.786 1.00 0.00 O ATOM 1226 CB GLU B 60 7.538 -5.449 23.164 1.00 0.00 C ATOM 1227 CG GLU B 60 7.959 -6.033 21.826 1.00 0.00 C ATOM 1228 CD GLU B 60 8.031 -4.988 20.730 1.00 0.00 C ATOM 1229 OE1 GLU B 60 9.113 -4.389 20.552 1.00 0.00 O ATOM 1230 OE2 GLU B 60 7.007 -4.769 20.050 1.00 0.00 O ATOM 0 H GLU B 60 5.802 -7.239 23.246 1.00 0.00 H new ATOM 0 HA GLU B 60 8.431 -6.960 24.401 1.00 0.00 H new ATOM 0 HB2 GLU B 60 6.565 -4.971 23.052 1.00 0.00 H new ATOM 0 HB3 GLU B 60 8.245 -4.670 23.449 1.00 0.00 H new ATOM 0 HG2 GLU B 60 8.933 -6.510 21.932 1.00 0.00 H new ATOM 0 HG3 GLU B 60 7.253 -6.811 21.535 1.00 0.00 H new ATOM 1237 N GLU B 61 8.071 -5.736 26.510 1.00 0.00 N ATOM 1238 CA GLU B 61 7.864 -5.107 27.809 1.00 0.00 C ATOM 1239 C GLU B 61 8.452 -3.701 27.834 1.00 0.00 C ATOM 1240 O GLU B 61 7.727 -2.716 27.966 1.00 0.00 O ATOM 1241 CB GLU B 61 8.491 -5.955 28.916 1.00 0.00 C ATOM 1242 CG GLU B 61 7.903 -7.352 29.022 1.00 0.00 C ATOM 1243 CD GLU B 61 6.419 -7.339 29.330 1.00 0.00 C ATOM 1244 OE1 GLU B 61 6.061 -7.333 30.526 1.00 0.00 O ATOM 1245 OE2 GLU B 61 5.615 -7.335 28.374 1.00 0.00 O ATOM 0 H GLU B 61 9.008 -6.115 26.370 1.00 0.00 H new ATOM 0 HA GLU B 61 6.790 -5.034 27.981 1.00 0.00 H new ATOM 0 HB2 GLU B 61 9.563 -6.034 28.738 1.00 0.00 H new ATOM 0 HB3 GLU B 61 8.364 -5.443 29.870 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.071 -7.885 28.086 1.00 0.00 H new ATOM 0 HG3 GLU B 61 8.427 -7.904 29.802 1.00 0.00 H new ATOM 1252 N ASP B 62 9.773 -3.615 27.704 1.00 0.00 N ATOM 1253 CA ASP B 62 10.460 -2.330 27.710 1.00 0.00 C ATOM 1254 C ASP B 62 10.887 -1.934 26.299 1.00 0.00 C ATOM 1255 O ASP B 62 11.887 -2.431 25.780 1.00 0.00 O ATOM 1256 CB ASP B 62 11.682 -2.384 28.628 1.00 0.00 C ATOM 1257 CG ASP B 62 11.314 -2.705 30.063 1.00 0.00 C ATOM 1258 OD1 ASP B 62 11.065 -1.758 30.838 1.00 0.00 O ATOM 1259 OD2 ASP B 62 11.271 -3.904 30.411 1.00 0.00 O ATOM 0 H ASP B 62 10.388 -4.421 27.593 1.00 0.00 H new ATOM 0 HA ASP B 62 9.766 -1.578 28.085 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.378 -3.136 28.257 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.201 -1.426 28.595 1.00 0.00 H new ATOM 1264 N SER B 63 10.118 -1.041 25.684 1.00 0.00 N ATOM 1265 CA SER B 63 10.414 -0.576 24.333 1.00 0.00 C ATOM 1266 C SER B 63 9.785 0.789 24.079 1.00 0.00 C ATOM 1267 O SER B 63 9.207 1.395 24.983 1.00 0.00 O ATOM 1268 CB SER B 63 9.903 -1.584 23.301 1.00 0.00 C ATOM 1269 OG SER B 63 10.529 -2.844 23.462 1.00 0.00 O ATOM 0 H SER B 63 9.285 -0.625 26.100 1.00 0.00 H new ATOM 0 HA SER B 63 11.496 -0.483 24.236 1.00 0.00 H new ATOM 0 HB2 SER B 63 8.823 -1.696 23.402 1.00 0.00 H new ATOM 0 HB3 SER B 63 10.092 -1.207 22.296 1.00 0.00 H new ATOM 0 HG SER B 63 11.178 -2.796 24.195 1.00 0.00 H new ATOM 1275 N GLY B 64 9.905 1.271 22.846 1.00 0.00 N ATOM 1276 CA GLY B 64 9.342 2.562 22.495 1.00 0.00 C ATOM 1277 C GLY B 64 7.834 2.595 22.639 1.00 0.00 C ATOM 1278 O GLY B 64 7.295 3.409 23.388 1.00 0.00 O ATOM 0 H GLY B 64 10.382 0.790 22.083 1.00 0.00 H new ATOM 0 HA2 GLY B 64 9.781 3.331 23.130 1.00 0.00 H new ATOM 0 HA3 GLY B 64 9.611 2.805 21.467 1.00 0.00 H new ATOM 1282 N LEU B 65 7.154 1.703 21.922 1.00 0.00 N ATOM 1283 CA LEU B 65 5.701 1.618 21.961 1.00 0.00 C ATOM 1284 C LEU B 65 5.060 2.937 21.541 1.00 0.00 C ATOM 1285 O LEU B 65 5.092 3.924 22.277 1.00 0.00 O ATOM 1286 CB LEU B 65 5.234 1.230 23.360 1.00 0.00 C ATOM 1287 CG LEU B 65 5.537 -0.213 23.771 1.00 0.00 C ATOM 1288 CD1 LEU B 65 5.145 -0.447 25.221 1.00 0.00 C ATOM 1289 CD2 LEU B 65 4.816 -1.195 22.859 1.00 0.00 C ATOM 0 H LEU B 65 7.594 1.023 21.302 1.00 0.00 H new ATOM 0 HA LEU B 65 5.389 0.849 21.254 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.700 1.902 24.081 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.158 1.391 23.424 1.00 0.00 H new ATOM 0 HG LEU B 65 6.610 -0.379 23.672 1.00 0.00 H new ATOM 0 HD11 LEU B 65 5.367 -1.478 25.496 1.00 0.00 H new ATOM 0 HD12 LEU B 65 5.708 0.230 25.864 1.00 0.00 H new ATOM 0 HD13 LEU B 65 4.078 -0.261 25.344 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.045 -2.215 23.169 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.741 -1.029 22.923 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.145 -1.046 21.831 1.00 0.00 H new ATOM 1301 N VAL B 66 4.471 2.939 20.353 1.00 0.00 N ATOM 1302 CA VAL B 66 3.820 4.130 19.821 1.00 0.00 C ATOM 1303 C VAL B 66 2.404 4.272 20.372 1.00 0.00 C ATOM 1304 O VAL B 66 1.854 5.371 20.427 1.00 0.00 O ATOM 1305 CB VAL B 66 3.764 4.100 18.282 1.00 0.00 C ATOM 1306 CG1 VAL B 66 3.244 5.422 17.735 1.00 0.00 C ATOM 1307 CG2 VAL B 66 5.133 3.777 17.704 1.00 0.00 C ATOM 0 H VAL B 66 4.430 2.127 19.737 1.00 0.00 H new ATOM 0 HA VAL B 66 4.416 4.986 20.136 1.00 0.00 H new ATOM 0 HB VAL B 66 3.072 3.314 17.980 1.00 0.00 H new ATOM 0 HG11 VAL B 66 3.213 5.378 16.646 1.00 0.00 H new ATOM 0 HG12 VAL B 66 2.241 5.605 18.120 1.00 0.00 H new ATOM 0 HG13 VAL B 66 3.906 6.230 18.047 1.00 0.00 H new ATOM 0 HG21 VAL B 66 5.074 3.760 16.616 1.00 0.00 H new ATOM 0 HG22 VAL B 66 5.849 4.537 18.017 1.00 0.00 H new ATOM 0 HG23 VAL B 66 5.459 2.802 18.065 1.00 0.00 H new ATOM 1317 N GLY B 67 1.823 3.148 20.779 1.00 0.00 N ATOM 1318 CA GLY B 67 0.475 3.162 21.319 1.00 0.00 C ATOM 1319 C GLY B 67 0.444 2.860 22.804 1.00 0.00 C ATOM 1320 O GLY B 67 1.447 3.019 23.500 1.00 0.00 O ATOM 0 H GLY B 67 2.261 2.228 20.745 1.00 0.00 H new ATOM 0 HA2 GLY B 67 0.025 4.139 21.140 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -0.133 2.429 20.789 1.00 0.00 H new ATOM 1324 N SER B 68 -0.715 2.424 23.293 1.00 0.00 N ATOM 1325 CA SER B 68 -0.873 2.098 24.706 1.00 0.00 C ATOM 1326 C SER B 68 -1.704 0.831 24.883 1.00 0.00 C ATOM 1327 O SER B 68 -1.790 0.283 25.982 1.00 0.00 O ATOM 1328 CB SER B 68 -1.534 3.261 25.445 1.00 0.00 C ATOM 1329 OG SER B 68 -2.797 3.575 24.882 1.00 0.00 O ATOM 0 H SER B 68 -1.556 2.289 22.732 1.00 0.00 H new ATOM 0 HA SER B 68 0.117 1.923 25.127 1.00 0.00 H new ATOM 0 HB2 SER B 68 -1.656 3.004 26.497 1.00 0.00 H new ATOM 0 HB3 SER B 68 -0.886 4.137 25.403 1.00 0.00 H new ATOM 0 HG SER B 68 -3.198 4.321 25.375 1.00 0.00 H new ATOM 1335 N GLY B 69 -2.313 0.369 23.794 1.00 0.00 N ATOM 1336 CA GLY B 69 -3.128 -0.830 23.851 1.00 0.00 C ATOM 1337 C GLY B 69 -3.251 -1.514 22.502 1.00 0.00 C ATOM 1338 O GLY B 69 -3.982 -2.493 22.361 1.00 0.00 O ATOM 0 H GLY B 69 -2.256 0.805 22.873 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -2.695 -1.526 24.569 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -4.122 -0.573 24.216 1.00 0.00 H new ATOM 1342 N GLY B 70 -2.532 -0.995 21.511 1.00 0.00 N ATOM 1343 CA GLY B 70 -2.578 -1.574 20.182 1.00 0.00 C ATOM 1344 C GLY B 70 -2.251 -0.566 19.097 1.00 0.00 C ATOM 1345 O GLY B 70 -2.723 0.572 19.134 1.00 0.00 O ATOM 0 H GLY B 70 -1.919 -0.185 21.605 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -1.874 -2.404 20.126 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -3.571 -1.986 20.003 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.440 -0.981 18.130 1.00 0.00 N ATOM 1350 CA GLU B 71 -1.049 -0.109 17.030 1.00 0.00 C ATOM 1351 C GLU B 71 -0.932 -0.896 15.728 1.00 0.00 C ATOM 1352 O GLU B 71 -0.549 -2.065 15.730 1.00 0.00 O ATOM 1353 CB GLU B 71 0.281 0.581 17.344 1.00 0.00 C ATOM 1354 CG GLU B 71 1.425 -0.389 17.591 1.00 0.00 C ATOM 1355 CD GLU B 71 2.727 0.318 17.913 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.975 0.588 19.107 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.499 0.598 16.974 1.00 0.00 O ATOM 0 H GLU B 71 -1.040 -1.918 18.086 1.00 0.00 H new ATOM 0 HA GLU B 71 -1.823 0.649 16.908 1.00 0.00 H new ATOM 0 HB2 GLU B 71 0.545 1.238 16.515 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.155 1.213 18.223 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.163 -1.053 18.415 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.563 -1.014 16.709 1.00 0.00 H new ATOM 1364 N SER B 72 -1.267 -0.245 14.617 1.00 0.00 N ATOM 1365 CA SER B 72 -1.199 -0.882 13.307 1.00 0.00 C ATOM 1366 C SER B 72 0.243 -1.224 12.945 1.00 0.00 C ATOM 1367 O SER B 72 1.166 -0.476 13.265 1.00 0.00 O ATOM 1368 CB SER B 72 -1.803 0.032 12.238 1.00 0.00 C ATOM 1369 OG SER B 72 -3.167 0.305 12.512 1.00 0.00 O ATOM 0 H SER B 72 -1.588 0.723 14.599 1.00 0.00 H new ATOM 0 HA SER B 72 -1.775 -1.807 13.350 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.243 0.966 12.195 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.713 -0.439 11.259 1.00 0.00 H new ATOM 0 HG SER B 72 -3.720 -0.011 11.767 1.00 0.00 H new ATOM 1375 N THR B 73 0.426 -2.358 12.274 1.00 0.00 N ATOM 1376 CA THR B 73 1.754 -2.798 11.871 1.00 0.00 C ATOM 1377 C THR B 73 1.748 -3.317 10.436 1.00 0.00 C ATOM 1378 O THR B 73 1.181 -4.371 10.149 1.00 0.00 O ATOM 1379 CB THR B 73 2.286 -3.905 12.802 1.00 0.00 C ATOM 1380 OG1 THR B 73 2.290 -3.442 14.158 1.00 0.00 O ATOM 1381 CG2 THR B 73 3.694 -4.324 12.402 1.00 0.00 C ATOM 0 H THR B 73 -0.329 -2.987 11.999 1.00 0.00 H new ATOM 0 HA THR B 73 2.409 -1.930 11.939 1.00 0.00 H new ATOM 0 HB THR B 73 1.629 -4.770 12.712 1.00 0.00 H new ATOM 0 HG1 THR B 73 2.628 -4.151 14.745 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.046 -5.106 13.075 1.00 0.00 H new ATOM 0 HG22 THR B 73 3.685 -4.702 11.380 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.361 -3.464 12.465 1.00 0.00 H new ATOM 1389 N TRP B 74 2.382 -2.567 9.539 1.00 0.00 N ATOM 1390 CA TRP B 74 2.453 -2.949 8.134 1.00 0.00 C ATOM 1391 C TRP B 74 3.898 -3.192 7.713 1.00 0.00 C ATOM 1392 O TRP B 74 4.756 -2.322 7.874 1.00 0.00 O ATOM 1393 CB TRP B 74 1.827 -1.863 7.256 1.00 0.00 C ATOM 1394 CG TRP B 74 0.462 -1.442 7.708 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.085 -0.196 8.119 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.706 -2.267 7.803 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.245 -0.194 8.459 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.753 -1.453 8.275 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.967 -3.613 7.535 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -3.040 -1.942 8.482 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.245 -4.097 7.742 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.268 -3.264 8.210 1.00 0.00 C ATOM 0 H TRP B 74 2.854 -1.691 9.761 1.00 0.00 H new ATOM 0 HA TRP B 74 1.894 -3.876 8.004 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.482 -0.992 7.246 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.765 -2.227 6.230 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.738 0.663 8.169 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.770 0.614 8.794 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.185 -4.263 7.173 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.830 -1.301 8.844 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.458 -5.136 7.539 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.257 -3.672 8.359 1.00 0.00 H new ATOM 1413 N ARG B 75 4.163 -4.377 7.172 1.00 0.00 N ATOM 1414 CA ARG B 75 5.508 -4.734 6.733 1.00 0.00 C ATOM 1415 C ARG B 75 5.479 -5.457 5.389 1.00 0.00 C ATOM 1416 O ARG B 75 4.632 -6.318 5.156 1.00 0.00 O ATOM 1417 CB ARG B 75 6.189 -5.614 7.780 1.00 0.00 C ATOM 1418 CG ARG B 75 7.570 -6.095 7.366 1.00 0.00 C ATOM 1419 CD ARG B 75 8.329 -6.680 8.542 1.00 0.00 C ATOM 1420 NE ARG B 75 7.665 -7.859 9.093 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.157 -8.584 10.092 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.316 -8.252 10.648 1.00 0.00 N ATOM 1423 NH2 ARG B 75 7.493 -9.641 10.537 1.00 0.00 N ATOM 0 H ARG B 75 3.465 -5.106 7.027 1.00 0.00 H new ATOM 0 HA ARG B 75 6.075 -3.811 6.612 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.272 -5.056 8.713 1.00 0.00 H new ATOM 0 HB3 ARG B 75 5.557 -6.479 7.982 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.475 -6.847 6.582 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.135 -5.264 6.944 1.00 0.00 H new ATOM 0 HD2 ARG B 75 9.337 -6.947 8.225 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.429 -5.924 9.321 1.00 0.00 H new ATOM 0 HE ARG B 75 6.773 -8.142 8.688 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.830 -7.439 10.308 1.00 0.00 H new ATOM 0 HH12 ARG B 75 9.692 -8.810 11.415 1.00 0.00 H new ATOM 0 HH21 ARG B 75 6.602 -9.900 10.113 1.00 0.00 H new ATOM 0 HH22 ARG B 75 7.873 -10.196 11.304 1.00 0.00 H new ATOM 1437 N PHE B 76 6.405 -5.089 4.507 1.00 0.00 N ATOM 1438 CA PHE B 76 6.504 -5.707 3.185 1.00 0.00 C ATOM 1439 C PHE B 76 7.938 -5.618 2.669 1.00 0.00 C ATOM 1440 O PHE B 76 8.745 -4.847 3.189 1.00 0.00 O ATOM 1441 CB PHE B 76 5.557 -5.030 2.181 1.00 0.00 C ATOM 1442 CG PHE B 76 4.631 -4.012 2.786 1.00 0.00 C ATOM 1443 CD1 PHE B 76 5.053 -2.708 2.996 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.337 -4.357 3.140 1.00 0.00 C ATOM 1445 CE1 PHE B 76 4.203 -1.772 3.547 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.482 -3.423 3.693 1.00 0.00 C ATOM 1447 CZ PHE B 76 2.915 -2.128 3.895 1.00 0.00 C ATOM 0 H PHE B 76 7.100 -4.364 4.684 1.00 0.00 H new ATOM 0 HA PHE B 76 6.214 -6.753 3.284 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.154 -4.546 1.408 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.960 -5.798 1.689 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.059 -2.422 2.725 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.992 -5.368 2.982 1.00 0.00 H new ATOM 0 HE1 PHE B 76 4.545 -0.760 3.706 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.476 -3.706 3.967 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.248 -1.395 4.324 1.00 0.00 H new ATOM 1457 N ARG B 77 8.245 -6.405 1.640 1.00 0.00 N ATOM 1458 CA ARG B 77 9.583 -6.421 1.051 1.00 0.00 C ATOM 1459 C ARG B 77 9.509 -6.429 -0.473 1.00 0.00 C ATOM 1460 O ARG B 77 8.594 -7.010 -1.053 1.00 0.00 O ATOM 1461 CB ARG B 77 10.354 -7.655 1.541 1.00 0.00 C ATOM 1462 CG ARG B 77 11.578 -7.998 0.705 1.00 0.00 C ATOM 1463 CD ARG B 77 12.741 -7.063 0.991 1.00 0.00 C ATOM 1464 NE ARG B 77 13.294 -7.270 2.326 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.597 -7.256 2.594 1.00 0.00 C ATOM 1466 NH1 ARG B 77 15.474 -7.037 1.624 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.023 -7.460 3.834 1.00 0.00 N ATOM 0 H ARG B 77 7.584 -7.042 1.196 1.00 0.00 H new ATOM 0 HA ARG B 77 10.106 -5.517 1.364 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.667 -7.488 2.572 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.680 -8.512 1.547 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.880 -9.025 0.908 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.321 -7.945 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.522 -7.218 0.247 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.408 -6.030 0.893 1.00 0.00 H new ATOM 0 HE ARG B 77 12.646 -7.434 3.096 1.00 0.00 H new ATOM 0 HH11 ARG B 77 15.150 -6.879 0.670 1.00 0.00 H new ATOM 0 HH12 ARG B 77 16.473 -7.027 1.832 1.00 0.00 H new ATOM 0 HH21 ARG B 77 14.351 -7.628 4.583 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.022 -7.449 4.038 1.00 0.00 H new ATOM 1481 N VAL B 78 10.475 -5.779 -1.118 1.00 0.00 N ATOM 1482 CA VAL B 78 10.511 -5.735 -2.579 1.00 0.00 C ATOM 1483 C VAL B 78 11.105 -7.025 -3.134 1.00 0.00 C ATOM 1484 O VAL B 78 12.313 -7.249 -3.056 1.00 0.00 O ATOM 1485 CB VAL B 78 11.329 -4.536 -3.104 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.308 -4.505 -4.625 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.799 -3.226 -2.537 1.00 0.00 C ATOM 0 H VAL B 78 11.237 -5.280 -0.658 1.00 0.00 H new ATOM 0 HA VAL B 78 9.482 -5.621 -2.918 1.00 0.00 H new ATOM 0 HB VAL B 78 12.360 -4.656 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.889 -3.654 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.740 -5.427 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.279 -4.412 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.392 -2.396 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.758 -3.096 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.867 -3.246 -1.449 1.00 0.00 H new ATOM 1497 N ALA B 79 10.246 -7.874 -3.694 1.00 0.00 N ATOM 1498 CA ALA B 79 10.684 -9.150 -4.249 1.00 0.00 C ATOM 1499 C ALA B 79 11.001 -9.042 -5.737 1.00 0.00 C ATOM 1500 O ALA B 79 12.123 -9.320 -6.165 1.00 0.00 O ATOM 1501 CB ALA B 79 9.623 -10.214 -4.012 1.00 0.00 C ATOM 0 H ALA B 79 9.244 -7.701 -3.775 1.00 0.00 H new ATOM 0 HA ALA B 79 11.603 -9.436 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.959 -11.163 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.455 -10.328 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.693 -9.914 -4.495 1.00 0.00 H new ATOM 1507 N ALA B 80 10.008 -8.640 -6.527 1.00 0.00 N ATOM 1508 CA ALA B 80 10.187 -8.509 -7.969 1.00 0.00 C ATOM 1509 C ALA B 80 9.791 -7.129 -8.461 1.00 0.00 C ATOM 1510 O ALA B 80 9.463 -6.240 -7.674 1.00 0.00 O ATOM 1511 CB ALA B 80 9.378 -9.566 -8.702 1.00 0.00 C ATOM 0 H ALA B 80 9.074 -8.400 -6.193 1.00 0.00 H new ATOM 0 HA ALA B 80 11.247 -8.652 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA B 80 9.523 -9.454 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA B 80 9.709 -10.557 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA B 80 8.321 -9.446 -8.464 1.00 0.00 H new ATOM 1517 N SER B 81 9.829 -6.962 -9.776 1.00 0.00 N ATOM 1518 CA SER B 81 9.483 -5.701 -10.401 1.00 0.00 C ATOM 1519 C SER B 81 7.974 -5.570 -10.585 1.00 0.00 C ATOM 1520 O SER B 81 7.201 -6.356 -10.041 1.00 0.00 O ATOM 1521 CB SER B 81 10.181 -5.587 -11.750 1.00 0.00 C ATOM 1522 OG SER B 81 9.420 -6.201 -12.774 1.00 0.00 O ATOM 0 H SER B 81 10.099 -7.694 -10.433 1.00 0.00 H new ATOM 0 HA SER B 81 9.815 -4.894 -9.747 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.341 -4.536 -11.992 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.164 -6.054 -11.694 1.00 0.00 H new ATOM 0 HG SER B 81 9.890 -6.112 -13.629 1.00 0.00 H new ATOM 1528 N GLY B 82 7.573 -4.571 -11.362 1.00 0.00 N ATOM 1529 CA GLY B 82 6.162 -4.339 -11.614 1.00 0.00 C ATOM 1530 C GLY B 82 5.704 -2.983 -11.116 1.00 0.00 C ATOM 1531 O GLY B 82 6.428 -2.313 -10.375 1.00 0.00 O ATOM 0 H GLY B 82 8.202 -3.915 -11.824 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.969 -4.415 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.575 -5.119 -11.128 1.00 0.00 H new ATOM 1535 N ASP B 83 4.506 -2.573 -11.518 1.00 0.00 N ATOM 1536 CA ASP B 83 3.964 -1.283 -11.104 1.00 0.00 C ATOM 1537 C ASP B 83 2.837 -1.450 -10.094 1.00 0.00 C ATOM 1538 O ASP B 83 1.930 -2.261 -10.281 1.00 0.00 O ATOM 1539 CB ASP B 83 3.464 -0.498 -12.316 1.00 0.00 C ATOM 1540 CG ASP B 83 2.522 0.628 -11.932 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.014 1.701 -11.529 1.00 0.00 O ATOM 1542 OD2 ASP B 83 1.293 0.433 -12.035 1.00 0.00 O ATOM 0 H ASP B 83 3.893 -3.113 -12.128 1.00 0.00 H new ATOM 0 HA ASP B 83 4.770 -0.727 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.317 -0.086 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP B 83 2.954 -1.177 -12.999 1.00 0.00 H new ATOM 1547 N ASP B 84 2.903 -0.663 -9.026 1.00 0.00 N ATOM 1548 CA ASP B 84 1.900 -0.700 -7.969 1.00 0.00 C ATOM 1549 C ASP B 84 1.948 0.576 -7.137 1.00 0.00 C ATOM 1550 O ASP B 84 2.744 1.476 -7.408 1.00 0.00 O ATOM 1551 CB ASP B 84 2.109 -1.918 -7.067 1.00 0.00 C ATOM 1552 CG ASP B 84 1.492 -3.178 -7.638 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.278 -3.391 -7.434 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.219 -3.953 -8.292 1.00 0.00 O ATOM 0 H ASP B 84 3.649 0.015 -8.869 1.00 0.00 H new ATOM 0 HA ASP B 84 0.919 -0.776 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.177 -2.076 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.677 -1.718 -6.087 1.00 0.00 H new ATOM 1559 N ARG B 85 1.093 0.651 -6.121 1.00 0.00 N ATOM 1560 CA ARG B 85 1.042 1.818 -5.253 1.00 0.00 C ATOM 1561 C ARG B 85 0.328 1.490 -3.945 1.00 0.00 C ATOM 1562 O ARG B 85 -0.859 1.167 -3.942 1.00 0.00 O ATOM 1563 CB ARG B 85 0.327 2.964 -5.962 1.00 0.00 C ATOM 1564 CG ARG B 85 0.250 4.237 -5.139 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.500 5.329 -5.879 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.908 4.994 -6.068 1.00 0.00 N ATOM 1567 CZ ARG B 85 -2.774 5.774 -6.709 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.375 6.931 -7.221 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -4.039 5.399 -6.838 1.00 0.00 N ATOM 0 H ARG B 85 0.427 -0.083 -5.881 1.00 0.00 H new ATOM 0 HA ARG B 85 2.064 2.119 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.842 3.178 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.683 2.646 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.247 4.030 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.257 4.581 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.421 6.263 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -0.033 5.495 -6.850 1.00 0.00 H new ATOM 0 HE ARG B 85 -2.247 4.111 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -1.403 7.224 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.040 7.528 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -4.350 4.511 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -4.701 5.999 -7.330 1.00 0.00 H new ATOM 1583 N LEU B 86 1.054 1.576 -2.835 1.00 0.00 N ATOM 1584 CA LEU B 86 0.479 1.292 -1.527 1.00 0.00 C ATOM 1585 C LEU B 86 -0.639 2.277 -1.212 1.00 0.00 C ATOM 1586 O LEU B 86 -0.461 3.489 -1.332 1.00 0.00 O ATOM 1587 CB LEU B 86 1.557 1.357 -0.441 1.00 0.00 C ATOM 1588 CG LEU B 86 1.740 0.071 0.375 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.476 -0.254 1.157 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.121 -1.093 -0.528 1.00 0.00 C ATOM 0 H LEU B 86 2.039 1.839 -2.816 1.00 0.00 H new ATOM 0 HA LEU B 86 0.064 0.284 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.508 1.609 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.313 2.170 0.242 1.00 0.00 H new ATOM 0 HG LEU B 86 2.552 0.234 1.084 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.627 -1.170 1.729 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.249 0.566 1.838 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -0.355 -0.391 0.465 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.245 -1.994 0.073 1.00 0.00 H new ATOM 0 HD22 LEU B 86 1.334 -1.254 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU B 86 3.056 -0.866 -1.039 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.792 1.751 -0.811 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.937 2.593 -0.487 1.00 0.00 C ATOM 1604 C GLU B 87 -3.500 2.247 0.886 1.00 0.00 C ATOM 1605 O GLU B 87 -3.832 1.093 1.160 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.025 2.438 -1.553 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.535 2.698 -2.967 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.670 2.890 -3.953 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.117 1.887 -4.548 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.112 4.044 -4.132 1.00 0.00 O ATOM 0 H GLU B 87 -1.957 0.750 -0.703 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.600 3.629 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.433 1.429 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.842 3.124 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.902 3.585 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -2.915 1.863 -3.292 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.602 3.254 1.746 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.134 3.066 3.092 1.00 0.00 C ATOM 1619 C LEU B 88 -5.172 4.135 3.418 1.00 0.00 C ATOM 1620 O LEU B 88 -5.221 5.179 2.769 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.010 3.106 4.129 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.887 2.089 3.916 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.853 2.631 2.942 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.240 1.725 5.243 1.00 0.00 C ATOM 0 H LEU B 88 -3.323 4.212 1.535 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.613 2.087 3.127 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.576 4.106 4.132 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.443 2.943 5.116 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.317 1.184 3.486 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.062 1.894 2.803 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.329 2.837 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.425 3.551 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.443 1.001 5.073 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.823 2.621 5.703 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.989 1.292 5.906 1.00 0.00 H new ATOM 1636 N VAL B 89 -5.999 3.868 4.422 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.031 4.814 4.830 1.00 0.00 C ATOM 1638 C VAL B 89 -7.335 4.692 6.318 1.00 0.00 C ATOM 1639 O VAL B 89 -7.047 3.670 6.941 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.327 4.608 4.021 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.941 3.248 4.322 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.323 5.724 4.294 1.00 0.00 C ATOM 0 H VAL B 89 -5.975 3.006 4.967 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.646 5.814 4.631 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.071 4.638 2.962 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.854 3.124 3.740 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.233 2.463 4.057 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.176 3.182 5.384 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.228 5.554 3.711 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.572 5.738 5.355 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -8.884 6.681 4.012 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.919 5.743 6.877 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.261 5.774 8.296 1.00 0.00 C ATOM 1654 C TYR B 90 -9.772 5.711 8.497 1.00 0.00 C ATOM 1655 O TYR B 90 -10.470 6.713 8.353 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.701 7.042 8.940 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.928 7.136 10.433 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.665 8.180 10.977 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.399 6.186 11.298 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.867 8.276 12.341 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.597 6.273 12.662 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.332 7.320 13.178 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.532 7.410 14.536 1.00 0.00 O ATOM 0 H TYR B 90 -8.168 6.591 6.368 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.817 4.900 8.773 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.630 7.092 8.744 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.154 7.909 8.460 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.087 8.929 10.324 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.823 5.365 10.897 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.441 9.095 12.749 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.179 5.526 13.321 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.090 6.658 14.982 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.269 4.523 8.833 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.698 4.327 9.056 1.00 0.00 C ATOM 1675 C ARG B 91 -11.962 2.980 9.718 1.00 0.00 C ATOM 1676 O ARG B 91 -11.101 2.099 9.719 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.460 4.417 7.733 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.025 3.383 6.708 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.818 3.507 5.418 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.418 2.509 4.430 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.009 2.362 3.249 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.023 3.147 2.907 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.584 1.430 2.406 1.00 0.00 N ATOM 0 H ARG B 91 -9.704 3.683 8.957 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.049 5.115 9.722 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.526 4.297 7.928 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.324 5.413 7.312 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.963 3.504 6.496 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.155 2.383 7.121 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.881 3.397 5.634 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.679 4.505 5.002 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.641 1.890 4.659 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.351 3.866 3.552 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.474 3.031 2.000 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.804 0.826 2.664 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.038 1.317 1.499 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.157 2.825 10.281 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.535 1.582 10.941 1.00 0.00 C ATOM 1699 C ARG B 92 -13.496 0.416 9.949 1.00 0.00 C ATOM 1700 O ARG B 92 -13.997 0.531 8.830 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.919 1.730 11.574 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.987 2.883 12.567 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.395 3.099 13.093 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.467 4.228 14.015 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.449 4.401 14.897 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.435 3.518 14.978 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.442 5.458 15.698 1.00 0.00 N ATOM 0 H ARG B 92 -13.879 3.545 10.293 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.819 1.365 11.734 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.659 1.887 10.789 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.184 0.802 12.081 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.315 2.683 13.402 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.635 3.796 12.087 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.072 3.270 12.256 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.736 2.196 13.599 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.722 4.924 13.982 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.442 2.704 14.364 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.186 3.653 15.655 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.684 6.138 15.638 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.194 5.591 16.374 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.896 -0.725 10.346 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.745 -1.895 9.481 1.00 0.00 C ATOM 1723 C PRO B 93 -13.981 -2.793 9.391 1.00 0.00 C ATOM 1724 O PRO B 93 -13.850 -3.992 9.148 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.587 -2.675 10.130 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.169 -1.893 11.336 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.307 -0.973 11.664 1.00 0.00 C ATOM 0 HA PRO B 93 -12.574 -1.578 8.452 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.905 -3.679 10.410 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.756 -2.787 9.433 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.954 -2.557 12.173 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.259 -1.328 11.135 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.019 -1.435 12.348 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.963 -0.053 12.136 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.177 -2.238 9.577 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.382 -3.037 9.481 1.00 0.00 C ATOM 1737 C TRP B 94 -17.376 -2.348 8.556 1.00 0.00 C ATOM 1738 O TRP B 94 -18.369 -2.938 8.127 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.987 -3.248 10.871 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.192 -1.973 11.624 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.473 -1.507 12.686 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -18.187 -0.994 11.358 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.973 -0.291 13.092 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -18.030 0.041 12.291 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -19.197 -0.902 10.414 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -18.856 1.160 12.300 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -20.015 0.201 10.418 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -19.842 1.224 11.358 1.00 0.00 C ATOM 0 H TRP B 94 -15.330 -1.253 9.792 1.00 0.00 H new ATOM 0 HA TRP B 94 -16.138 -4.015 9.067 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.944 -3.760 10.770 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.334 -3.903 11.449 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -15.636 -2.017 13.140 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -16.614 0.271 13.864 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -19.339 -1.687 9.685 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -18.722 1.949 13.025 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -20.804 0.281 9.685 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -20.501 2.080 11.338 1.00 0.00 H new ATOM 1759 N GLU B 95 -17.087 -1.083 8.254 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.934 -0.274 7.388 1.00 0.00 C ATOM 1761 C GLU B 95 -17.880 -0.770 5.947 1.00 0.00 C ATOM 1762 O GLU B 95 -16.982 -1.523 5.571 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.491 1.190 7.456 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.396 1.738 8.871 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.830 3.144 8.913 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -15.589 3.284 8.924 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -17.629 4.104 8.937 1.00 0.00 O ATOM 0 H GLU B 95 -16.262 -0.595 8.603 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.963 -0.360 7.736 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.519 1.288 6.972 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -18.193 1.799 6.887 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.387 1.735 9.325 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.768 1.079 9.471 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.848 -0.338 5.144 1.00 0.00 N ATOM 1775 CA LYS B 96 -18.913 -0.732 3.742 1.00 0.00 C ATOM 1776 C LYS B 96 -18.494 0.424 2.839 1.00 0.00 C ATOM 1777 O LYS B 96 -17.555 0.301 2.051 1.00 0.00 O ATOM 1778 CB LYS B 96 -20.329 -1.187 3.383 1.00 0.00 C ATOM 1779 CG LYS B 96 -20.821 -2.362 4.213 1.00 0.00 C ATOM 1780 CD LYS B 96 -19.991 -3.612 3.965 1.00 0.00 C ATOM 1781 CE LYS B 96 -20.479 -4.781 4.806 1.00 0.00 C ATOM 1782 NZ LYS B 96 -21.896 -5.128 4.507 1.00 0.00 N ATOM 0 H LYS B 96 -19.598 0.286 5.441 1.00 0.00 H new ATOM 0 HA LYS B 96 -18.224 -1.562 3.588 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -21.014 -0.349 3.513 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -20.357 -1.461 2.328 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -20.781 -2.102 5.271 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -21.865 -2.565 3.974 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -20.038 -3.878 2.909 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.946 -3.408 4.196 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -19.846 -5.649 4.622 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -20.381 -4.533 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -22.119 -6.059 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -22.524 -4.410 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -22.036 -5.157 3.477 1.00 0.00 H new ATOM 1796 N ASP B 97 -19.197 1.545 2.960 1.00 0.00 N ATOM 1797 CA ASP B 97 -18.900 2.728 2.159 1.00 0.00 C ATOM 1798 C ASP B 97 -19.195 4.002 2.943 1.00 0.00 C ATOM 1799 O ASP B 97 -20.342 4.445 3.017 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.714 2.713 0.862 1.00 0.00 C ATOM 1801 CG ASP B 97 -19.409 1.504 0.000 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -20.087 0.468 0.169 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.495 1.593 -0.846 1.00 0.00 O ATOM 0 H ASP B 97 -19.978 1.660 3.606 1.00 0.00 H new ATOM 0 HA ASP B 97 -17.839 2.711 1.912 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -20.777 2.724 1.104 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.506 3.621 0.296 1.00 0.00 H new ATOM 1808 N ALA B 98 -18.156 4.584 3.532 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.303 5.808 4.309 1.00 0.00 C ATOM 1810 C ALA B 98 -17.029 6.643 4.263 1.00 0.00 C ATOM 1811 O ALA B 98 -15.925 6.116 4.401 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.666 5.473 5.750 1.00 0.00 C ATOM 0 H ALA B 98 -17.202 4.227 3.486 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.107 6.397 3.869 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.773 6.395 6.322 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.606 4.922 5.770 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.878 4.862 6.191 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.191 7.946 4.064 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.053 8.855 3.997 1.00 0.00 C ATOM 1820 C GLU B 99 -15.262 8.837 5.306 1.00 0.00 C ATOM 1821 O GLU B 99 -15.839 8.960 6.387 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.526 10.274 3.689 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.548 10.792 4.679 1.00 0.00 C ATOM 1824 CD GLU B 99 -17.932 12.236 4.426 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -17.273 13.134 4.989 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.892 12.470 3.661 1.00 0.00 O ATOM 0 H GLU B 99 -18.099 8.396 3.946 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.396 8.518 3.195 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -15.665 10.943 3.682 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.956 10.297 2.688 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.441 10.170 4.631 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.149 10.699 5.689 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.928 8.675 5.227 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.067 8.638 6.407 1.00 0.00 C ATOM 1835 C PRO B 100 -12.643 10.030 6.863 1.00 0.00 C ATOM 1836 O PRO B 100 -13.265 11.028 6.503 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.865 7.847 5.907 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.744 8.235 4.472 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.147 8.512 3.985 1.00 0.00 C ATOM 0 HA PRO B 100 -13.563 8.203 7.275 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.963 8.098 6.465 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -12.020 6.774 6.018 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.113 9.117 4.360 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.282 7.436 3.891 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.186 9.410 3.368 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.529 7.691 3.378 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.579 10.087 7.658 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.070 11.355 8.163 1.00 0.00 C ATOM 1849 C ALA B 101 -9.644 11.605 7.682 1.00 0.00 C ATOM 1850 O ALA B 101 -9.170 12.741 7.679 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.127 11.377 9.684 1.00 0.00 C ATOM 0 H ALA B 101 -11.053 9.269 7.966 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.702 12.153 7.774 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.744 12.330 10.049 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.159 11.252 10.011 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.519 10.565 10.083 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.968 10.536 7.274 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.596 10.636 6.790 1.00 0.00 C ATOM 1859 C GLU B 102 -7.388 9.810 5.529 1.00 0.00 C ATOM 1860 O GLU B 102 -8.330 9.239 4.979 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.616 10.173 7.866 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.289 11.242 8.885 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.484 10.710 10.054 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.238 10.714 9.968 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -6.100 10.291 11.057 1.00 0.00 O ATOM 0 H GLU B 102 -9.348 9.590 7.269 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.410 11.683 6.552 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.035 9.308 8.380 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.693 9.843 7.388 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.731 12.042 8.399 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.216 11.679 9.257 1.00 0.00 H new ATOM 1872 N SER B 103 -6.138 9.752 5.086 1.00 0.00 N ATOM 1873 CA SER B 103 -5.774 8.997 3.894 1.00 0.00 C ATOM 1874 C SER B 103 -4.259 8.967 3.721 1.00 0.00 C ATOM 1875 O SER B 103 -3.553 9.859 4.194 1.00 0.00 O ATOM 1876 CB SER B 103 -6.429 9.601 2.652 1.00 0.00 C ATOM 1877 OG SER B 103 -6.019 10.944 2.461 1.00 0.00 O ATOM 0 H SER B 103 -5.354 10.223 5.538 1.00 0.00 H new ATOM 0 HA SER B 103 -6.134 7.976 4.017 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.167 9.009 1.775 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.514 9.559 2.752 1.00 0.00 H new ATOM 0 HG SER B 103 -6.450 11.307 1.659 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.765 7.937 3.044 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.332 7.793 2.814 1.00 0.00 C ATOM 1885 C PHE B 104 -2.065 6.900 1.607 1.00 0.00 C ATOM 1886 O PHE B 104 -2.862 6.018 1.291 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.658 7.212 4.060 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.157 7.273 4.024 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.582 6.178 3.609 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.512 8.423 4.408 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.964 6.229 3.579 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.892 8.480 4.379 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.618 7.382 3.964 1.00 0.00 C ATOM 0 H PHE B 104 -4.334 7.190 2.645 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.914 8.779 2.609 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.013 7.751 4.938 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.967 6.173 4.177 1.00 0.00 H new ATOM 0 HD1 PHE B 104 0.074 5.275 3.306 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.051 9.285 4.734 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.530 5.368 3.255 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.402 9.383 4.681 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.697 7.425 3.941 1.00 0.00 H new ATOM 1903 N SER B 105 -0.940 7.133 0.935 1.00 0.00 N ATOM 1904 CA SER B 105 -0.574 6.345 -0.239 1.00 0.00 C ATOM 1905 C SER B 105 0.842 6.672 -0.704 1.00 0.00 C ATOM 1906 O SER B 105 1.288 7.817 -0.614 1.00 0.00 O ATOM 1907 CB SER B 105 -1.566 6.598 -1.378 1.00 0.00 C ATOM 1908 OG SER B 105 -1.224 5.845 -2.527 1.00 0.00 O ATOM 0 H SER B 105 -0.268 7.859 1.183 1.00 0.00 H new ATOM 0 HA SER B 105 -0.608 5.292 0.041 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.573 6.335 -1.053 1.00 0.00 H new ATOM 0 HB3 SER B 105 -1.578 7.660 -1.625 1.00 0.00 H new ATOM 0 HG SER B 105 -0.907 4.959 -2.255 1.00 0.00 H new ATOM 1914 N CYS B 106 1.544 5.657 -1.200 1.00 0.00 N ATOM 1915 CA CYS B 106 2.910 5.833 -1.685 1.00 0.00 C ATOM 1916 C CYS B 106 3.118 5.098 -3.007 1.00 0.00 C ATOM 1917 O CYS B 106 2.700 3.950 -3.162 1.00 0.00 O ATOM 1918 CB CYS B 106 3.916 5.330 -0.650 1.00 0.00 C ATOM 1919 SG CYS B 106 3.954 6.298 0.894 1.00 0.00 S ATOM 0 H CYS B 106 1.190 4.704 -1.277 1.00 0.00 H new ATOM 0 HA CYS B 106 3.071 6.898 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.683 4.293 -0.409 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.911 5.338 -1.094 1.00 0.00 H new ATOM 1924 N ALA B 107 3.769 5.766 -3.956 1.00 0.00 N ATOM 1925 CA ALA B 107 4.038 5.174 -5.263 1.00 0.00 C ATOM 1926 C ALA B 107 5.115 4.101 -5.162 1.00 0.00 C ATOM 1927 O ALA B 107 6.186 4.333 -4.601 1.00 0.00 O ATOM 1928 CB ALA B 107 4.454 6.247 -6.257 1.00 0.00 C ATOM 0 H ALA B 107 4.120 6.717 -3.844 1.00 0.00 H new ATOM 0 HA ALA B 107 3.120 4.705 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.651 5.789 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.653 6.980 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.357 6.743 -5.900 1.00 0.00 H new ATOM 1934 N ILE B 108 4.826 2.925 -5.709 1.00 0.00 N ATOM 1935 CA ILE B 108 5.770 1.815 -5.675 1.00 0.00 C ATOM 1936 C ILE B 108 5.813 1.075 -7.009 1.00 0.00 C ATOM 1937 O ILE B 108 5.050 0.137 -7.238 1.00 0.00 O ATOM 1938 CB ILE B 108 5.418 0.813 -4.559 1.00 0.00 C ATOM 1939 CG1 ILE B 108 4.952 1.564 -3.307 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.620 -0.069 -4.251 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.811 0.694 -2.077 1.00 0.00 C ATOM 0 H ILE B 108 3.946 2.716 -6.181 1.00 0.00 H new ATOM 0 HA ILE B 108 6.750 2.247 -5.475 1.00 0.00 H new ATOM 0 HB ILE B 108 4.603 0.172 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE B 108 5.660 2.364 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE B 108 3.992 2.036 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.361 -0.774 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.907 -0.618 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.453 0.553 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.478 1.303 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.080 -0.091 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.774 0.243 -1.838 1.00 0.00 H new ATOM 1953 N GLN B 109 6.711 1.510 -7.888 1.00 0.00 N ATOM 1954 CA GLN B 109 6.874 0.886 -9.196 1.00 0.00 C ATOM 1955 C GLN B 109 8.299 0.371 -9.360 1.00 0.00 C ATOM 1956 O GLN B 109 9.213 1.136 -9.666 1.00 0.00 O ATOM 1957 CB GLN B 109 6.542 1.879 -10.311 1.00 0.00 C ATOM 1958 CG GLN B 109 6.732 1.311 -11.709 1.00 0.00 C ATOM 1959 CD GLN B 109 6.442 2.326 -12.798 1.00 0.00 C ATOM 1960 OE1 GLN B 109 5.195 2.369 -13.252 1.00 0.00 O flip ATOM 1961 NE2 GLN B 109 7.331 3.063 -13.229 1.00 0.00 N flip ATOM 0 H GLN B 109 7.339 2.295 -7.717 1.00 0.00 H new ATOM 0 HA GLN B 109 6.184 0.045 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN B 109 5.509 2.207 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.170 2.762 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.756 0.953 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.078 0.449 -11.838 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.276 2.997 -12.852 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.121 3.739 -13.963 1.00 0.00 H new ATOM 1970 N VAL B 110 8.483 -0.928 -9.156 1.00 0.00 N ATOM 1971 CA VAL B 110 9.803 -1.535 -9.268 1.00 0.00 C ATOM 1972 C VAL B 110 10.110 -1.929 -10.707 1.00 0.00 C ATOM 1973 O VAL B 110 9.208 -2.049 -11.539 1.00 0.00 O ATOM 1974 CB VAL B 110 9.924 -2.786 -8.381 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.385 -3.091 -8.086 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.143 -2.607 -7.092 1.00 0.00 C ATOM 0 H VAL B 110 7.737 -1.579 -8.913 1.00 0.00 H new ATOM 0 HA VAL B 110 10.520 -0.784 -8.934 1.00 0.00 H new ATOM 0 HB VAL B 110 9.499 -3.632 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.452 -3.979 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.916 -3.268 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.836 -2.245 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.242 -3.503 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.534 -1.749 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.091 -2.440 -7.324 1.00 0.00 H new ATOM 1986 N ARG B 111 11.391 -2.128 -10.990 1.00 0.00 N ATOM 1987 CA ARG B 111 11.834 -2.515 -12.316 1.00 0.00 C ATOM 1988 C ARG B 111 13.294 -2.957 -12.290 1.00 0.00 C ATOM 1989 O ARG B 111 13.539 -4.181 -12.217 1.00 0.00 O ATOM 1990 CB ARG B 111 11.654 -1.356 -13.291 1.00 0.00 C ATOM 1991 CG ARG B 111 12.221 -1.640 -14.656 1.00 0.00 C ATOM 1992 CD ARG B 111 11.365 -2.646 -15.385 1.00 0.00 C ATOM 1993 NE ARG B 111 11.880 -2.951 -16.718 1.00 0.00 N ATOM 1994 CZ ARG B 111 11.316 -3.830 -17.543 1.00 0.00 C ATOM 1995 NH1 ARG B 111 10.226 -4.489 -17.173 1.00 0.00 N ATOM 1996 NH2 ARG B 111 11.843 -4.050 -18.740 1.00 0.00 N ATOM 1997 OXT ARG B 111 14.182 -2.080 -12.340 1.00 0.00 O ATOM 0 H ARG B 111 12.144 -2.026 -10.310 1.00 0.00 H new ATOM 0 HA ARG B 111 11.225 -3.356 -12.649 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.592 -1.130 -13.385 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.134 -0.467 -12.882 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.277 -0.716 -15.232 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.238 -2.020 -14.562 1.00 0.00 H new ATOM 0 HD2 ARG B 111 11.310 -3.564 -14.800 1.00 0.00 H new ATOM 0 HD3 ARG B 111 10.349 -2.261 -15.470 1.00 0.00 H new ATOM 0 HE ARG B 111 12.718 -2.463 -17.034 1.00 0.00 H new ATOM 0 HH11 ARG B 111 9.817 -4.323 -16.253 1.00 0.00 H new ATOM 0 HH12 ARG B 111 9.797 -5.162 -17.808 1.00 0.00 H new ATOM 0 HH21 ARG B 111 12.681 -3.545 -19.029 1.00 0.00 H new ATOM 0 HH22 ARG B 111 11.410 -4.724 -19.372 1.00 0.00 H new TER 2011 ARG B 111