USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 0.879 K(o=0.88,f=-3.5!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.728 USER MOD Set 2.2: C 21 THR OG1 : rot -73:sc= 0.82 USER MOD Set 3.1: A 11 SER OG : rot -87:sc= 0.44 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0105 (180deg=-0.265) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0101 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0.225 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.796 K(o=0.8,f=-4.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 22:sc= 0.711 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.434 F(o=-1.1,f=-0.43) USER MOD Single : A 29 GLN : amide:sc= -0.109 K(o=-0.11,f=-5.5!) USER MOD Single : A 35 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0784 (180deg=-0.515) USER MOD Single : A 43 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -121:sc= -0.0245 (180deg=-0.36) USER MOD Single : C 1 MET N :NH3+ 130:sc= 0.0517 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 150:sc= 0.105 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot -140:sc= 0.31 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.405 F(o=-1.1,f=-0.41) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : C 35 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.7) USER MOD Single : C 38 LYS NZ :NH3+ -159:sc= -0.0529 (180deg=-0.7) USER MOD Single : C 43 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.4!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.015 -5.141 -11.413 1.00 0.00 N ATOM 2 CA MET A 1 -5.948 -4.268 -10.224 1.00 0.00 C ATOM 3 C MET A 1 -7.045 -4.629 -9.230 1.00 0.00 C ATOM 4 O MET A 1 -8.180 -4.870 -9.628 1.00 0.00 O ATOM 5 CB MET A 1 -6.080 -2.796 -10.631 1.00 0.00 C ATOM 6 CG MET A 1 -5.736 -1.838 -9.498 1.00 0.00 C ATOM 7 SD MET A 1 -3.964 -1.550 -9.285 1.00 0.00 S ATOM 8 CE MET A 1 -3.744 -0.442 -10.693 1.00 0.00 C ATOM 0 H1 MET A 1 -5.879 -4.570 -12.271 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.269 -5.863 -11.356 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.945 -5.606 -11.451 1.00 0.00 H new ATOM 0 HA MET A 1 -4.979 -4.418 -9.748 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.425 -2.598 -11.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.100 -2.606 -10.964 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.229 -0.883 -9.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.143 -2.232 -8.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.948 -0.821 -11.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.672 -0.388 -11.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.479 0.553 -10.335 1.00 0.00 H new ATOM 20 N LEU A 2 -6.701 -4.660 -7.944 1.00 0.00 N ATOM 21 CA LEU A 2 -7.651 -4.844 -6.860 1.00 0.00 C ATOM 22 C LEU A 2 -7.536 -3.589 -6.010 1.00 0.00 C ATOM 23 O LEU A 2 -6.432 -3.199 -5.637 1.00 0.00 O ATOM 24 CB LEU A 2 -7.303 -6.140 -6.114 1.00 0.00 C ATOM 25 CG LEU A 2 -8.227 -6.487 -4.938 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.845 -5.728 -3.668 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.691 -6.197 -5.259 1.00 0.00 C ATOM 0 H LEU A 2 -5.738 -4.556 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.685 -4.961 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.321 -6.966 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.281 -6.063 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.101 -7.556 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.524 -6.003 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.824 -5.983 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.914 -4.656 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.310 -6.457 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.811 -5.138 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.999 -6.789 -6.121 1.00 0.00 H new ATOM 39 N ILE A 3 -8.661 -2.949 -5.700 1.00 0.00 N ATOM 40 CA ILE A 3 -8.645 -1.609 -5.133 1.00 0.00 C ATOM 41 C ILE A 3 -9.439 -1.551 -3.843 1.00 0.00 C ATOM 42 O ILE A 3 -10.423 -2.266 -3.668 1.00 0.00 O ATOM 43 CB ILE A 3 -9.215 -0.642 -6.174 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.350 -0.744 -7.433 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.248 0.803 -5.671 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.020 -0.086 -8.628 1.00 0.00 C ATOM 0 H ILE A 3 -9.594 -3.339 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.622 -1.326 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.248 -0.919 -6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.385 -0.272 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.155 -1.793 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.660 1.449 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.871 0.864 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.236 1.127 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.376 -0.179 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.973 -0.576 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.192 0.969 -8.414 1.00 0.00 H new ATOM 58 N LEU A 4 -8.981 -0.674 -2.950 1.00 0.00 N ATOM 59 CA LEU A 4 -9.569 -0.454 -1.645 1.00 0.00 C ATOM 60 C LEU A 4 -9.453 1.026 -1.303 1.00 0.00 C ATOM 61 O LEU A 4 -8.595 1.731 -1.835 1.00 0.00 O ATOM 62 CB LEU A 4 -8.845 -1.304 -0.597 1.00 0.00 C ATOM 63 CG LEU A 4 -9.027 -2.804 -0.836 1.00 0.00 C ATOM 64 CD1 LEU A 4 -8.201 -3.582 0.179 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.483 -3.224 -0.653 1.00 0.00 C ATOM 0 H LEU A 4 -8.168 -0.085 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.619 -0.745 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.782 -1.063 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.218 -1.049 0.395 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.710 -3.015 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.330 -4.651 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.148 -3.321 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.533 -3.331 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.578 -4.295 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.803 -2.994 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.110 -2.682 -1.362 1.00 0.00 H new ATOM 77 N THR A 5 -10.323 1.495 -0.413 1.00 0.00 N ATOM 78 CA THR A 5 -10.332 2.883 0.016 1.00 0.00 C ATOM 79 C THR A 5 -10.209 2.899 1.529 1.00 0.00 C ATOM 80 O THR A 5 -10.859 2.112 2.218 1.00 0.00 O ATOM 81 CB THR A 5 -11.622 3.549 -0.461 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.756 3.382 -1.852 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.607 5.047 -0.183 1.00 0.00 C ATOM 0 H THR A 5 -11.040 0.920 0.029 1.00 0.00 H new ATOM 0 HA THR A 5 -9.500 3.442 -0.412 1.00 0.00 H new ATOM 0 HB THR A 5 -12.448 3.083 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.692 3.192 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.538 5.492 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.505 5.217 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.767 5.505 -0.705 1.00 0.00 H new ATOM 91 N ARG A 6 -9.370 3.798 2.047 1.00 0.00 N ATOM 92 CA ARG A 6 -9.039 3.835 3.461 1.00 0.00 C ATOM 93 C ARG A 6 -8.925 5.251 3.972 1.00 0.00 C ATOM 94 O ARG A 6 -9.144 6.209 3.237 1.00 0.00 O ATOM 95 CB ARG A 6 -7.716 3.111 3.701 1.00 0.00 C ATOM 96 CG ARG A 6 -7.727 1.736 3.063 1.00 0.00 C ATOM 97 CD ARG A 6 -6.517 0.970 3.568 1.00 0.00 C ATOM 98 NE ARG A 6 -5.267 1.733 3.466 1.00 0.00 N ATOM 99 CZ ARG A 6 -4.375 1.604 2.475 1.00 0.00 C ATOM 100 NH1 ARG A 6 -4.628 0.829 1.421 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.215 2.251 2.535 1.00 0.00 N ATOM 0 H ARG A 6 -8.905 4.517 1.494 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.846 3.340 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.895 3.700 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.537 3.018 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.645 1.206 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.697 1.821 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.680 0.690 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.418 0.045 3.001 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.063 2.409 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.512 0.323 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.938 0.742 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.004 2.846 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.536 2.152 1.780 1.00 0.00 H new ATOM 115 N LYS A 7 -8.578 5.368 5.251 1.00 0.00 N ATOM 116 CA LYS A 7 -8.381 6.648 5.905 1.00 0.00 C ATOM 117 C LYS A 7 -7.067 6.621 6.659 1.00 0.00 C ATOM 118 O LYS A 7 -6.562 5.540 6.963 1.00 0.00 O ATOM 119 CB LYS A 7 -9.542 6.921 6.851 1.00 0.00 C ATOM 120 CG LYS A 7 -10.877 6.892 6.106 1.00 0.00 C ATOM 121 CD LYS A 7 -11.956 7.550 6.962 1.00 0.00 C ATOM 122 CE LYS A 7 -11.906 9.070 6.819 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.052 9.701 7.501 1.00 0.00 N ATOM 0 H LYS A 7 -8.426 4.567 5.864 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.346 7.447 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.550 6.176 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.408 7.893 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.785 7.415 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.156 5.863 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.938 7.184 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.817 7.273 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.974 9.448 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.912 9.340 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.996 10.734 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.939 9.355 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.030 9.460 8.512 1.00 0.00 H new ATOM 137 N VAL A 8 -6.502 7.789 6.966 1.00 0.00 N ATOM 138 CA VAL A 8 -5.200 7.789 7.619 1.00 0.00 C ATOM 139 C VAL A 8 -5.268 7.074 8.969 1.00 0.00 C ATOM 140 O VAL A 8 -6.004 7.476 9.869 1.00 0.00 O ATOM 141 CB VAL A 8 -4.615 9.197 7.722 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.419 9.738 6.305 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.470 10.194 8.499 1.00 0.00 C ATOM 0 H VAL A 8 -6.906 8.707 6.782 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.508 7.224 6.994 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.682 9.099 8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.002 10.744 6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.736 9.088 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.380 9.769 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.972 11.164 8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.442 10.294 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.607 9.837 9.520 1.00 0.00 H new ATOM 153 N GLY A 9 -4.484 5.998 9.090 1.00 0.00 N ATOM 154 CA GLY A 9 -4.404 5.176 10.288 1.00 0.00 C ATOM 155 C GLY A 9 -4.853 3.731 10.052 1.00 0.00 C ATOM 156 O GLY A 9 -4.565 2.863 10.874 1.00 0.00 O ATOM 0 H GLY A 9 -3.877 5.672 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.378 5.177 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.022 5.620 11.069 1.00 0.00 H new ATOM 160 N GLU A 10 -5.556 3.452 8.947 1.00 0.00 N ATOM 161 CA GLU A 10 -6.052 2.105 8.665 1.00 0.00 C ATOM 162 C GLU A 10 -4.959 1.201 8.084 1.00 0.00 C ATOM 163 O GLU A 10 -3.863 1.663 7.761 1.00 0.00 O ATOM 164 CB GLU A 10 -7.224 2.171 7.688 1.00 0.00 C ATOM 165 CG GLU A 10 -8.372 2.997 8.264 1.00 0.00 C ATOM 166 CD GLU A 10 -9.670 2.754 7.502 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.601 2.644 6.259 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.727 2.679 8.166 1.00 0.00 O ATOM 0 H GLU A 10 -5.793 4.143 8.235 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.379 1.676 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.893 2.609 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.573 1.163 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.513 2.744 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.117 4.056 8.222 1.00 0.00 H new ATOM 175 N SER A 11 -5.264 -0.093 7.947 1.00 0.00 N ATOM 176 CA SER A 11 -4.308 -1.092 7.481 1.00 0.00 C ATOM 177 C SER A 11 -4.957 -2.093 6.525 1.00 0.00 C ATOM 178 O SER A 11 -6.182 -2.183 6.453 1.00 0.00 O ATOM 179 CB SER A 11 -3.726 -1.838 8.679 1.00 0.00 C ATOM 180 OG SER A 11 -3.063 -0.940 9.545 1.00 0.00 O ATOM 0 H SER A 11 -6.186 -0.475 8.158 1.00 0.00 H new ATOM 0 HA SER A 11 -3.518 -0.573 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.523 -2.351 9.218 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.029 -2.603 8.336 1.00 0.00 H new ATOM 0 HG SER A 11 -2.134 -0.828 9.252 1.00 0.00 H new ATOM 186 N ILE A 12 -4.113 -2.835 5.798 1.00 0.00 N ATOM 187 CA ILE A 12 -4.485 -3.778 4.746 1.00 0.00 C ATOM 188 C ILE A 12 -3.559 -4.994 4.819 1.00 0.00 C ATOM 189 O ILE A 12 -2.492 -4.916 5.422 1.00 0.00 O ATOM 190 CB ILE A 12 -4.359 -3.076 3.384 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.355 -1.920 3.269 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.565 -4.028 2.200 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.817 -2.361 3.378 1.00 0.00 C ATOM 0 H ILE A 12 -3.104 -2.789 5.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.514 -4.114 4.875 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.338 -2.697 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.145 -1.190 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.206 -1.416 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.464 -3.475 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.817 -4.820 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.561 -4.467 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.467 -1.491 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.044 -3.068 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.982 -2.839 4.344 1.00 0.00 H new ATOM 205 N ASN A 13 -3.958 -6.114 4.211 1.00 0.00 N ATOM 206 CA ASN A 13 -3.208 -7.355 4.307 1.00 0.00 C ATOM 207 C ASN A 13 -2.887 -7.926 2.926 1.00 0.00 C ATOM 208 O ASN A 13 -3.660 -7.761 1.981 1.00 0.00 O ATOM 209 CB ASN A 13 -4.038 -8.358 5.110 1.00 0.00 C ATOM 210 CG ASN A 13 -4.448 -7.782 6.456 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.578 -7.332 6.621 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.543 -7.790 7.426 1.00 0.00 N ATOM 0 H ASN A 13 -4.804 -6.180 3.644 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.258 -7.159 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.928 -8.633 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.462 -9.271 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.777 -7.414 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.613 -8.172 7.253 1.00 0.00 H new ATOM 219 N ILE A 14 -1.738 -8.602 2.830 1.00 0.00 N ATOM 220 CA ILE A 14 -1.272 -9.255 1.614 1.00 0.00 C ATOM 221 C ILE A 14 -0.638 -10.590 1.988 1.00 0.00 C ATOM 222 O ILE A 14 0.175 -10.655 2.914 1.00 0.00 O ATOM 223 CB ILE A 14 -0.244 -8.371 0.888 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.847 -6.997 0.551 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.254 -9.088 -0.372 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.157 -6.091 -0.164 1.00 0.00 C ATOM 0 H ILE A 14 -1.096 -8.710 3.615 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.116 -9.418 0.943 1.00 0.00 H new ATOM 0 HB ILE A 14 0.607 -8.198 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.727 -7.132 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.183 -6.513 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.982 -8.459 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.722 -10.032 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.588 -9.283 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.311 -5.131 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.025 -5.934 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.473 -6.562 -1.095 1.00 0.00 H new ATOM 238 N GLY A 15 -1.003 -11.655 1.267 1.00 0.00 N ATOM 239 CA GLY A 15 -0.501 -12.991 1.543 1.00 0.00 C ATOM 240 C GLY A 15 -0.724 -13.352 3.007 1.00 0.00 C ATOM 241 O GLY A 15 -1.736 -12.987 3.602 1.00 0.00 O ATOM 0 H GLY A 15 -1.652 -11.609 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.005 -13.715 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.562 -13.043 1.307 1.00 0.00 H new ATOM 245 N ASP A 16 0.234 -14.074 3.590 1.00 0.00 N ATOM 246 CA ASP A 16 0.208 -14.453 4.994 1.00 0.00 C ATOM 247 C ASP A 16 1.489 -13.998 5.698 1.00 0.00 C ATOM 248 O ASP A 16 1.794 -14.456 6.797 1.00 0.00 O ATOM 249 CB ASP A 16 -0.053 -15.954 5.138 1.00 0.00 C ATOM 250 CG ASP A 16 1.067 -16.806 4.539 1.00 0.00 C ATOM 251 OD1 ASP A 16 1.197 -16.807 3.296 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.784 -17.455 5.333 1.00 0.00 O ATOM 0 H ASP A 16 1.056 -14.413 3.091 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.617 -13.943 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.166 -16.200 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.995 -16.204 4.650 1.00 0.00 H new ATOM 257 N ASP A 17 2.239 -13.086 5.065 1.00 0.00 N ATOM 258 CA ASP A 17 3.505 -12.593 5.588 1.00 0.00 C ATOM 259 C ASP A 17 3.642 -11.078 5.467 1.00 0.00 C ATOM 260 O ASP A 17 4.677 -10.545 5.863 1.00 0.00 O ATOM 261 CB ASP A 17 4.662 -13.268 4.844 1.00 0.00 C ATOM 262 CG ASP A 17 4.686 -14.781 5.048 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.987 -15.205 6.186 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.406 -15.502 4.065 1.00 0.00 O ATOM 0 H ASP A 17 1.976 -12.672 4.171 1.00 0.00 H new ATOM 0 HA ASP A 17 3.533 -12.838 6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.581 -13.050 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.606 -12.844 5.186 1.00 0.00 H new ATOM 269 N ILE A 18 2.640 -10.363 4.934 1.00 0.00 N ATOM 270 CA ILE A 18 2.775 -8.922 4.742 1.00 0.00 C ATOM 271 C ILE A 18 1.529 -8.170 5.196 1.00 0.00 C ATOM 272 O ILE A 18 0.413 -8.677 5.105 1.00 0.00 O ATOM 273 CB ILE A 18 3.084 -8.599 3.266 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.304 -9.356 2.733 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.345 -7.098 3.106 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.873 -10.656 2.047 1.00 0.00 C ATOM 0 H ILE A 18 1.747 -10.754 4.635 1.00 0.00 H new ATOM 0 HA ILE A 18 3.608 -8.588 5.361 1.00 0.00 H new ATOM 0 HB ILE A 18 2.212 -8.913 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.848 -8.729 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.987 -9.580 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.563 -6.876 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.463 -6.540 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.196 -6.809 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.753 -11.180 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.350 -11.289 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.209 -10.425 1.214 1.00 0.00 H new ATOM 288 N THR A 19 1.745 -6.947 5.690 1.00 0.00 N ATOM 289 CA THR A 19 0.692 -6.033 6.109 1.00 0.00 C ATOM 290 C THR A 19 1.094 -4.626 5.677 1.00 0.00 C ATOM 291 O THR A 19 2.285 -4.335 5.553 1.00 0.00 O ATOM 292 CB THR A 19 0.512 -6.123 7.632 1.00 0.00 C ATOM 293 OG1 THR A 19 0.183 -7.451 7.988 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.597 -5.205 8.141 1.00 0.00 C ATOM 0 H THR A 19 2.682 -6.561 5.810 1.00 0.00 H new ATOM 0 HA THR A 19 -0.261 -6.292 5.648 1.00 0.00 H new ATOM 0 HB THR A 19 1.453 -5.811 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.069 -7.511 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.685 -5.305 9.223 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.357 -4.172 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.542 -5.482 7.673 1.00 0.00 H new ATOM 302 N ILE A 20 0.109 -3.759 5.442 1.00 0.00 N ATOM 303 CA ILE A 20 0.319 -2.405 4.942 1.00 0.00 C ATOM 304 C ILE A 20 -0.494 -1.432 5.791 1.00 0.00 C ATOM 305 O ILE A 20 -1.542 -1.808 6.311 1.00 0.00 O ATOM 306 CB ILE A 20 -0.135 -2.335 3.472 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.571 -3.381 2.598 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.081 -0.936 2.894 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.068 -3.121 2.444 1.00 0.00 C ATOM 0 H ILE A 20 -0.874 -3.984 5.597 1.00 0.00 H new ATOM 0 HA ILE A 20 1.374 -2.139 5.002 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.202 -2.559 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.423 -4.369 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.107 -3.394 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.248 -0.917 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.494 -0.211 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.140 -0.681 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.509 -3.895 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.222 -2.146 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.543 -3.136 3.425 1.00 0.00 H new ATOM 321 N THR A 21 -0.020 -0.195 5.939 1.00 0.00 N ATOM 322 CA THR A 21 -0.692 0.803 6.764 1.00 0.00 C ATOM 323 C THR A 21 -0.498 2.204 6.182 1.00 0.00 C ATOM 324 O THR A 21 0.609 2.567 5.798 1.00 0.00 O ATOM 325 CB THR A 21 -0.099 0.762 8.174 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.194 -0.536 8.711 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.814 1.727 9.116 1.00 0.00 C ATOM 0 H THR A 21 0.834 0.140 5.493 1.00 0.00 H new ATOM 0 HA THR A 21 -1.758 0.579 6.791 1.00 0.00 H new ATOM 0 HB THR A 21 0.946 1.060 8.087 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.191 -0.546 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.364 1.668 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.721 2.744 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.869 1.459 9.180 1.00 0.00 H new ATOM 335 N ILE A 22 -1.579 2.989 6.115 1.00 0.00 N ATOM 336 CA ILE A 22 -1.528 4.381 5.686 1.00 0.00 C ATOM 337 C ILE A 22 -1.233 5.216 6.931 1.00 0.00 C ATOM 338 O ILE A 22 -2.136 5.536 7.701 1.00 0.00 O ATOM 339 CB ILE A 22 -2.844 4.781 4.987 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.989 6.298 4.829 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.082 4.248 5.715 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.870 6.871 3.972 1.00 0.00 C ATOM 0 H ILE A 22 -2.516 2.670 6.359 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.745 4.549 4.947 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.784 4.323 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.953 6.529 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.978 6.771 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.980 4.558 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.041 3.159 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.107 4.646 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.000 7.949 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.909 6.661 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.899 6.414 2.983 1.00 0.00 H new ATOM 354 N LEU A 23 0.038 5.573 7.138 1.00 0.00 N ATOM 355 CA LEU A 23 0.428 6.281 8.351 1.00 0.00 C ATOM 356 C LEU A 23 -0.144 7.696 8.329 1.00 0.00 C ATOM 357 O LEU A 23 -0.397 8.279 9.382 1.00 0.00 O ATOM 358 CB LEU A 23 1.955 6.330 8.502 1.00 0.00 C ATOM 359 CG LEU A 23 2.679 5.129 7.888 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.178 5.385 7.946 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.358 3.834 8.629 1.00 0.00 C ATOM 0 H LEU A 23 0.802 5.385 6.489 1.00 0.00 H new ATOM 0 HA LEU A 23 0.025 5.740 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.327 7.243 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.204 6.389 9.562 1.00 0.00 H new ATOM 0 HG LEU A 23 2.343 5.013 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.709 4.538 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.415 6.288 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.485 5.513 8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.891 3.006 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.668 3.924 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.285 3.646 8.585 1.00 0.00 H new ATOM 373 N GLY A 24 -0.348 8.246 7.127 1.00 0.00 N ATOM 374 CA GLY A 24 -0.994 9.538 6.956 1.00 0.00 C ATOM 375 C GLY A 24 -0.631 10.174 5.617 1.00 0.00 C ATOM 376 O GLY A 24 -0.041 9.521 4.757 1.00 0.00 O ATOM 0 H GLY A 24 -0.068 7.804 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.075 9.416 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.699 10.203 7.767 1.00 0.00 H new ATOM 380 N VAL A 25 -0.980 11.450 5.443 1.00 0.00 N ATOM 381 CA VAL A 25 -0.625 12.190 4.238 1.00 0.00 C ATOM 382 C VAL A 25 0.078 13.489 4.624 1.00 0.00 C ATOM 383 O VAL A 25 0.111 13.860 5.797 1.00 0.00 O ATOM 384 CB VAL A 25 -1.838 12.439 3.325 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.752 11.212 3.239 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.669 13.642 3.769 1.00 0.00 C ATOM 0 H VAL A 25 -1.510 11.991 6.126 1.00 0.00 H new ATOM 0 HA VAL A 25 0.064 11.581 3.652 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.420 12.647 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.595 11.432 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.191 10.368 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.120 10.962 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.512 13.772 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.040 13.475 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.049 14.538 3.754 1.00 0.00 H new ATOM 396 N SER A 26 0.640 14.175 3.628 1.00 0.00 N ATOM 397 CA SER A 26 1.454 15.366 3.831 1.00 0.00 C ATOM 398 C SER A 26 1.238 16.318 2.660 1.00 0.00 C ATOM 399 O SER A 26 2.189 16.831 2.079 1.00 0.00 O ATOM 400 CB SER A 26 2.917 14.935 3.923 1.00 0.00 C ATOM 401 OG SER A 26 3.241 14.534 5.239 1.00 0.00 O ATOM 0 H SER A 26 0.539 13.913 2.647 1.00 0.00 H new ATOM 0 HA SER A 26 1.175 15.881 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.103 14.113 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.563 15.759 3.620 1.00 0.00 H new ATOM 0 HG SER A 26 2.422 14.281 5.715 1.00 0.00 H new ATOM 407 N GLY A 27 -0.028 16.554 2.320 1.00 0.00 N ATOM 408 CA GLY A 27 -0.408 17.270 1.118 1.00 0.00 C ATOM 409 C GLY A 27 -0.947 16.244 0.132 1.00 0.00 C ATOM 410 O GLY A 27 -1.602 15.286 0.549 1.00 0.00 O ATOM 0 H GLY A 27 -0.822 16.247 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.164 18.022 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.449 17.795 0.696 1.00 0.00 H new ATOM 414 N GLN A 28 -0.690 16.413 -1.168 1.00 0.00 N ATOM 415 CA GLN A 28 -1.107 15.406 -2.131 1.00 0.00 C ATOM 416 C GLN A 28 -0.141 14.223 -2.137 1.00 0.00 C ATOM 417 O GLN A 28 -0.389 13.219 -2.807 1.00 0.00 O ATOM 418 CB GLN A 28 -1.272 16.025 -3.521 1.00 0.00 C ATOM 419 CG GLN A 28 -2.609 15.583 -4.122 1.00 0.00 C ATOM 420 CD GLN A 28 -3.787 16.212 -3.374 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.330 15.501 -2.387 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.195 17.326 -3.687 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.207 17.219 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.081 15.019 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.233 17.112 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.451 15.716 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.649 15.867 -5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.687 14.497 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.750 17.836 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.979 17.742 -3.184 1.00 0.00 H new ATOM 431 N GLN A 29 0.961 14.337 -1.380 1.00 0.00 N ATOM 432 CA GLN A 29 1.827 13.207 -1.113 1.00 0.00 C ATOM 433 C GLN A 29 1.223 12.385 0.024 1.00 0.00 C ATOM 434 O GLN A 29 0.428 12.891 0.818 1.00 0.00 O ATOM 435 CB GLN A 29 3.262 13.647 -0.794 1.00 0.00 C ATOM 436 CG GLN A 29 3.368 14.547 0.432 1.00 0.00 C ATOM 437 CD GLN A 29 4.823 14.710 0.854 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.174 14.432 1.998 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.686 15.155 -0.057 1.00 0.00 N ATOM 0 H GLN A 29 1.264 15.209 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 29 1.895 12.590 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.878 12.761 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.672 14.173 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.936 15.523 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.791 14.121 1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.364 15.377 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.669 15.273 0.187 1.00 0.00 H new ATOM 448 N VAL A 30 1.604 11.110 0.099 1.00 0.00 N ATOM 449 CA VAL A 30 1.035 10.144 1.023 1.00 0.00 C ATOM 450 C VAL A 30 2.179 9.317 1.598 1.00 0.00 C ATOM 451 O VAL A 30 3.183 9.097 0.922 1.00 0.00 O ATOM 452 CB VAL A 30 0.031 9.259 0.268 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.577 8.199 1.183 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.111 10.101 -0.303 1.00 0.00 C ATOM 0 H VAL A 30 2.333 10.717 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 30 0.504 10.637 1.838 1.00 0.00 H new ATOM 0 HB VAL A 30 0.583 8.774 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.282 7.591 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.215 7.563 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.098 8.686 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.810 9.454 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.631 10.608 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.707 10.842 -0.993 1.00 0.00 H new ATOM 464 N ARG A 31 2.036 8.858 2.845 1.00 0.00 N ATOM 465 CA ARG A 31 3.090 8.120 3.518 1.00 0.00 C ATOM 466 C ARG A 31 2.515 6.836 4.093 1.00 0.00 C ATOM 467 O ARG A 31 1.529 6.844 4.833 1.00 0.00 O ATOM 468 CB ARG A 31 3.735 9.016 4.570 1.00 0.00 C ATOM 469 CG ARG A 31 5.046 8.416 5.074 1.00 0.00 C ATOM 470 CD ARG A 31 5.851 9.473 5.828 1.00 0.00 C ATOM 471 NE ARG A 31 6.382 10.489 4.911 1.00 0.00 N ATOM 472 CZ ARG A 31 5.876 11.719 4.757 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.822 12.119 5.460 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.435 12.560 3.894 1.00 0.00 N ATOM 0 H ARG A 31 1.193 8.989 3.405 1.00 0.00 H new ATOM 0 HA ARG A 31 3.876 7.830 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.922 10.003 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.049 9.153 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.840 7.569 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.627 8.035 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.219 9.950 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.673 8.996 6.362 1.00 0.00 H new ATOM 0 HE ARG A 31 7.196 10.240 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.385 11.486 6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.449 13.060 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.247 12.268 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.052 13.498 3.775 1.00 0.00 H new ATOM 488 N ILE A 32 3.163 5.727 3.731 1.00 0.00 N ATOM 489 CA ILE A 32 2.655 4.383 3.943 1.00 0.00 C ATOM 490 C ILE A 32 3.757 3.538 4.569 1.00 0.00 C ATOM 491 O ILE A 32 4.937 3.770 4.322 1.00 0.00 O ATOM 492 CB ILE A 32 2.232 3.818 2.579 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.170 4.721 1.929 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.688 2.392 2.698 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.969 4.393 0.447 1.00 0.00 C ATOM 0 H ILE A 32 4.074 5.746 3.273 1.00 0.00 H new ATOM 0 HA ILE A 32 1.796 4.380 4.614 1.00 0.00 H new ATOM 0 HB ILE A 32 3.123 3.791 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.224 4.606 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.468 5.764 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.400 2.029 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.458 1.742 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.818 2.388 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.211 5.054 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.909 4.533 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.644 3.358 0.344 1.00 0.00 H new ATOM 507 N GLY A 33 3.364 2.553 5.376 1.00 0.00 N ATOM 508 CA GLY A 33 4.299 1.654 6.021 1.00 0.00 C ATOM 509 C GLY A 33 4.038 0.224 5.574 1.00 0.00 C ATOM 510 O GLY A 33 2.948 -0.101 5.100 1.00 0.00 O ATOM 0 H GLY A 33 2.386 2.362 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.321 1.940 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.200 1.729 7.104 1.00 0.00 H new ATOM 514 N ILE A 34 5.052 -0.627 5.728 1.00 0.00 N ATOM 515 CA ILE A 34 4.996 -2.014 5.308 1.00 0.00 C ATOM 516 C ILE A 34 5.566 -2.857 6.433 1.00 0.00 C ATOM 517 O ILE A 34 6.466 -2.425 7.151 1.00 0.00 O ATOM 518 CB ILE A 34 5.794 -2.201 4.011 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.280 -1.241 2.930 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.683 -3.651 3.524 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.169 -1.251 1.689 1.00 0.00 C ATOM 0 H ILE A 34 5.941 -0.364 6.153 1.00 0.00 H new ATOM 0 HA ILE A 34 3.970 -2.320 5.104 1.00 0.00 H new ATOM 0 HB ILE A 34 6.842 -1.977 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.264 -1.520 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.233 -0.230 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.254 -3.770 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.079 -4.322 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.637 -3.893 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.769 -0.558 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.179 -0.947 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.195 -2.256 1.268 1.00 0.00 H new ATOM 533 N ASN A 35 5.035 -4.064 6.583 1.00 0.00 N ATOM 534 CA ASN A 35 5.425 -4.959 7.652 1.00 0.00 C ATOM 535 C ASN A 35 5.585 -6.356 7.072 1.00 0.00 C ATOM 536 O ASN A 35 4.615 -7.104 6.958 1.00 0.00 O ATOM 537 CB ASN A 35 4.367 -4.916 8.751 1.00 0.00 C ATOM 538 CG ASN A 35 4.769 -5.727 9.976 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.872 -6.262 10.052 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.867 -5.826 10.949 1.00 0.00 N ATOM 0 H ASN A 35 4.321 -4.446 5.963 1.00 0.00 H new ATOM 0 HA ASN A 35 6.375 -4.658 8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.194 -3.881 9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.424 -5.298 8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.082 -6.359 11.791 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.960 -5.369 10.852 1.00 0.00 H new ATOM 547 N ALA A 36 6.820 -6.691 6.707 1.00 0.00 N ATOM 548 CA ALA A 36 7.140 -7.956 6.070 1.00 0.00 C ATOM 549 C ALA A 36 8.474 -8.503 6.569 1.00 0.00 C ATOM 550 O ALA A 36 9.314 -7.750 7.065 1.00 0.00 O ATOM 551 CB ALA A 36 7.220 -7.731 4.560 1.00 0.00 C ATOM 0 H ALA A 36 7.629 -6.085 6.848 1.00 0.00 H new ATOM 0 HA ALA A 36 6.364 -8.681 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.460 -8.672 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.261 -7.363 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.996 -6.998 4.342 1.00 0.00 H new ATOM 557 N PRO A 37 8.674 -9.821 6.441 1.00 0.00 N ATOM 558 CA PRO A 37 9.933 -10.485 6.728 1.00 0.00 C ATOM 559 C PRO A 37 11.004 -10.152 5.698 1.00 0.00 C ATOM 560 O PRO A 37 10.704 -9.706 4.592 1.00 0.00 O ATOM 561 CB PRO A 37 9.612 -11.978 6.650 1.00 0.00 C ATOM 562 CG PRO A 37 8.408 -12.065 5.714 1.00 0.00 C ATOM 563 CD PRO A 37 7.663 -10.769 6.004 1.00 0.00 C ATOM 0 HA PRO A 37 10.324 -10.171 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.458 -12.546 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.379 -12.385 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.712 -12.132 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.794 -12.941 5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.146 -10.408 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.906 -10.917 6.775 1.00 0.00 H new ATOM 571 N LYS A 38 12.265 -10.371 6.072 1.00 0.00 N ATOM 572 CA LYS A 38 13.387 -10.232 5.157 1.00 0.00 C ATOM 573 C LYS A 38 13.365 -11.345 4.110 1.00 0.00 C ATOM 574 O LYS A 38 14.188 -11.354 3.195 1.00 0.00 O ATOM 575 CB LYS A 38 14.693 -10.234 5.953 1.00 0.00 C ATOM 576 CG LYS A 38 14.781 -9.048 6.916 1.00 0.00 C ATOM 577 CD LYS A 38 14.635 -7.721 6.169 1.00 0.00 C ATOM 578 CE LYS A 38 14.905 -6.557 7.111 1.00 0.00 C ATOM 579 NZ LYS A 38 16.294 -6.566 7.613 1.00 0.00 N ATOM 0 H LYS A 38 12.532 -10.649 7.016 1.00 0.00 H new ATOM 0 HA LYS A 38 13.309 -9.285 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.773 -11.164 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.537 -10.205 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.001 -9.131 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.737 -9.071 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.330 -7.689 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.631 -7.637 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.712 -5.618 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.214 -6.603 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.544 -5.618 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.378 -7.252 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.940 -6.835 6.843 1.00 0.00 H new ATOM 593 N ASP A 39 12.422 -12.279 4.248 1.00 0.00 N ATOM 594 CA ASP A 39 12.150 -13.313 3.264 1.00 0.00 C ATOM 595 C ASP A 39 11.578 -12.703 1.981 1.00 0.00 C ATOM 596 O ASP A 39 11.449 -13.397 0.975 1.00 0.00 O ATOM 597 CB ASP A 39 11.138 -14.299 3.847 1.00 0.00 C ATOM 598 CG ASP A 39 11.777 -15.182 4.909 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.392 -16.199 4.524 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.647 -14.834 6.105 1.00 0.00 O ATOM 0 H ASP A 39 11.816 -12.333 5.067 1.00 0.00 H new ATOM 0 HA ASP A 39 13.082 -13.824 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.302 -13.751 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.732 -14.921 3.049 1.00 0.00 H new ATOM 605 N VAL A 40 11.239 -11.412 2.014 1.00 0.00 N ATOM 606 CA VAL A 40 10.686 -10.699 0.870 1.00 0.00 C ATOM 607 C VAL A 40 11.290 -9.299 0.792 1.00 0.00 C ATOM 608 O VAL A 40 11.819 -8.778 1.774 1.00 0.00 O ATOM 609 CB VAL A 40 9.156 -10.637 0.951 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.555 -12.026 1.174 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.695 -9.732 2.087 1.00 0.00 C ATOM 0 H VAL A 40 11.343 -10.831 2.846 1.00 0.00 H new ATOM 0 HA VAL A 40 10.944 -11.240 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 40 8.812 -10.234 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.469 -11.948 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.832 -12.679 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.935 -12.441 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.606 -9.711 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.076 -10.114 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.073 -8.723 1.925 1.00 0.00 H new ATOM 621 N ALA A 41 11.206 -8.686 -0.388 1.00 0.00 N ATOM 622 CA ALA A 41 11.779 -7.373 -0.616 1.00 0.00 C ATOM 623 C ALA A 41 10.677 -6.329 -0.724 1.00 0.00 C ATOM 624 O ALA A 41 9.589 -6.631 -1.216 1.00 0.00 O ATOM 625 CB ALA A 41 12.595 -7.417 -1.908 1.00 0.00 C ATOM 0 H ALA A 41 10.741 -9.087 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 41 12.423 -7.100 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.034 -6.437 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.389 -8.157 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.945 -7.688 -2.740 1.00 0.00 H new ATOM 631 N VAL A 42 10.950 -5.104 -0.269 1.00 0.00 N ATOM 632 CA VAL A 42 9.991 -4.013 -0.371 1.00 0.00 C ATOM 633 C VAL A 42 10.729 -2.705 -0.637 1.00 0.00 C ATOM 634 O VAL A 42 11.641 -2.340 0.102 1.00 0.00 O ATOM 635 CB VAL A 42 9.127 -3.909 0.894 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.290 -5.174 1.086 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.941 -3.702 2.169 1.00 0.00 C ATOM 0 H VAL A 42 11.832 -4.847 0.174 1.00 0.00 H new ATOM 0 HA VAL A 42 9.319 -4.217 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 42 8.496 -3.035 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.686 -5.077 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.636 -5.312 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.950 -6.036 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.268 -3.637 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.622 -4.542 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.515 -2.779 2.088 1.00 0.00 H new ATOM 647 N HIS A 43 10.338 -1.989 -1.695 1.00 0.00 N ATOM 648 CA HIS A 43 10.940 -0.704 -2.028 1.00 0.00 C ATOM 649 C HIS A 43 9.964 0.117 -2.855 1.00 0.00 C ATOM 650 O HIS A 43 8.994 -0.420 -3.383 1.00 0.00 O ATOM 651 CB HIS A 43 12.220 -0.885 -2.854 1.00 0.00 C ATOM 652 CG HIS A 43 13.077 -2.065 -2.478 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.198 -2.015 -1.647 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.884 -3.350 -2.897 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.654 -3.278 -1.587 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.887 -4.097 -2.326 1.00 0.00 N ATOM 0 H HIS A 43 9.602 -2.284 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 43 11.182 -0.200 -1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.943 -0.980 -3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.820 0.020 -2.764 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.588 -1.194 -1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.100 -3.708 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.519 -3.592 -1.022 1.00 0.00 H new ATOM 664 N ARG A 44 10.220 1.422 -2.973 1.00 0.00 N ATOM 665 CA ARG A 44 9.456 2.249 -3.898 1.00 0.00 C ATOM 666 C ARG A 44 10.015 2.042 -5.302 1.00 0.00 C ATOM 667 O ARG A 44 11.142 1.575 -5.452 1.00 0.00 O ATOM 668 CB ARG A 44 9.476 3.721 -3.475 1.00 0.00 C ATOM 669 CG ARG A 44 10.874 4.338 -3.493 1.00 0.00 C ATOM 670 CD ARG A 44 10.763 5.801 -3.051 1.00 0.00 C ATOM 671 NE ARG A 44 12.048 6.500 -3.158 1.00 0.00 N ATOM 672 CZ ARG A 44 13.055 6.374 -2.293 1.00 0.00 C ATOM 673 NH1 ARG A 44 12.953 5.564 -1.241 1.00 0.00 N ATOM 674 NH2 ARG A 44 14.178 7.061 -2.474 1.00 0.00 N ATOM 0 H ARG A 44 10.939 1.919 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 44 8.408 1.950 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.827 4.291 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.061 3.809 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.539 3.790 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.303 4.275 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.020 6.311 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.410 5.844 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 44 12.181 7.128 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.097 5.031 -1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.731 5.477 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.270 7.685 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.948 6.964 -1.812 1.00 0.00 H new ATOM 688 N GLU A 45 9.232 2.388 -6.326 1.00 0.00 N ATOM 689 CA GLU A 45 9.646 2.223 -7.717 1.00 0.00 C ATOM 690 C GLU A 45 11.034 2.803 -7.965 1.00 0.00 C ATOM 691 O GLU A 45 11.765 2.301 -8.814 1.00 0.00 O ATOM 692 CB GLU A 45 8.627 2.912 -8.627 1.00 0.00 C ATOM 693 CG GLU A 45 7.434 1.992 -8.904 1.00 0.00 C ATOM 694 CD GLU A 45 7.778 0.876 -9.896 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.846 0.973 -10.543 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.968 -0.070 -10.002 1.00 0.00 O ATOM 0 H GLU A 45 8.300 2.787 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 45 9.690 1.156 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.280 3.834 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.103 3.191 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.094 1.550 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.606 2.582 -9.297 1.00 0.00 H new ATOM 703 N GLU A 46 11.418 3.856 -7.241 1.00 0.00 N ATOM 704 CA GLU A 46 12.684 4.516 -7.512 1.00 0.00 C ATOM 705 C GLU A 46 13.881 3.627 -7.160 1.00 0.00 C ATOM 706 O GLU A 46 14.923 3.739 -7.800 1.00 0.00 O ATOM 707 CB GLU A 46 12.779 5.832 -6.739 1.00 0.00 C ATOM 708 CG GLU A 46 11.466 6.618 -6.713 1.00 0.00 C ATOM 709 CD GLU A 46 10.860 6.823 -8.098 1.00 0.00 C ATOM 710 OE1 GLU A 46 11.624 7.154 -9.030 1.00 0.00 O ATOM 711 OE2 GLU A 46 9.625 6.641 -8.204 1.00 0.00 O ATOM 0 H GLU A 46 10.877 4.260 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 46 12.716 4.718 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.088 5.622 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.556 6.452 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.748 6.092 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.641 7.590 -6.253 1.00 0.00 H new ATOM 718 N ILE A 47 13.746 2.753 -6.157 1.00 0.00 N ATOM 719 CA ILE A 47 14.799 1.812 -5.784 1.00 0.00 C ATOM 720 C ILE A 47 14.603 0.512 -6.557 1.00 0.00 C ATOM 721 O ILE A 47 15.571 -0.095 -7.013 1.00 0.00 O ATOM 722 CB ILE A 47 14.736 1.515 -4.274 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.427 2.584 -3.429 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.439 0.197 -3.937 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.817 3.967 -3.626 1.00 0.00 C ATOM 0 H ILE A 47 12.905 2.681 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 47 15.769 2.249 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 47 13.671 1.479 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.363 2.308 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.486 2.617 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.377 0.016 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.955 -0.620 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.486 0.256 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.344 4.689 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.905 4.258 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.765 3.944 -3.343 1.00 0.00 H new ATOM 737 N TYR A 48 13.345 0.093 -6.697 1.00 0.00 N ATOM 738 CA TYR A 48 13.000 -1.180 -7.298 1.00 0.00 C ATOM 739 C TYR A 48 13.543 -1.309 -8.717 1.00 0.00 C ATOM 740 O TYR A 48 13.876 -2.405 -9.166 1.00 0.00 O ATOM 741 CB TYR A 48 11.479 -1.296 -7.306 1.00 0.00 C ATOM 742 CG TYR A 48 10.993 -2.586 -7.914 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.915 -3.753 -7.141 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.626 -2.606 -9.265 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.466 -4.948 -7.724 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.185 -3.790 -9.856 1.00 0.00 C ATOM 747 CZ TYR A 48 10.094 -4.967 -9.087 1.00 0.00 C ATOM 748 OH TYR A 48 9.651 -6.123 -9.660 1.00 0.00 O ATOM 0 H TYR A 48 12.537 0.636 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 48 13.451 -1.983 -6.715 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.108 -1.220 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.059 -0.457 -7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.200 -3.732 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.685 -1.701 -9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.405 -5.850 -7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.914 -3.804 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 48 9.437 -5.960 -10.602 1.00 0.00 H new ATOM 1605 N MET C 1 8.818 -2.290 10.680 1.00 0.00 N ATOM 1606 CA MET C 1 8.125 -1.506 9.641 1.00 0.00 C ATOM 1607 C MET C 1 9.130 -0.909 8.670 1.00 0.00 C ATOM 1608 O MET C 1 10.254 -0.596 9.054 1.00 0.00 O ATOM 1609 CB MET C 1 7.317 -0.374 10.277 1.00 0.00 C ATOM 1610 CG MET C 1 6.327 0.270 9.307 1.00 0.00 C ATOM 1611 SD MET C 1 4.760 -0.607 9.158 1.00 0.00 S ATOM 1612 CE MET C 1 4.076 -0.025 10.728 1.00 0.00 C ATOM 0 H1 MET C 1 8.477 -2.000 11.619 1.00 0.00 H new ATOM 0 H2 MET C 1 8.624 -3.302 10.538 1.00 0.00 H new ATOM 0 H3 MET C 1 9.842 -2.121 10.617 1.00 0.00 H new ATOM 0 HA MET C 1 7.453 -2.176 9.105 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.773 -0.762 11.138 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.001 0.389 10.649 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.129 1.291 9.633 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.790 0.333 8.322 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.847 -0.880 11.364 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.804 0.614 11.228 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.164 0.542 10.540 1.00 0.00 H new ATOM 1624 N LEU C 2 8.723 -0.757 7.409 1.00 0.00 N ATOM 1625 CA LEU C 2 9.510 -0.088 6.386 1.00 0.00 C ATOM 1626 C LEU C 2 8.595 0.927 5.707 1.00 0.00 C ATOM 1627 O LEU C 2 7.597 0.553 5.089 1.00 0.00 O ATOM 1628 CB LEU C 2 10.083 -1.151 5.442 1.00 0.00 C ATOM 1629 CG LEU C 2 10.998 -0.617 4.336 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.192 -0.082 3.152 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.929 0.485 4.831 1.00 0.00 C ATOM 0 H LEU C 2 7.825 -1.102 7.070 1.00 0.00 H new ATOM 0 HA LEU C 2 10.366 0.457 6.784 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.641 -1.877 6.034 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.255 -1.687 4.979 1.00 0.00 H new ATOM 0 HG LEU C 2 11.602 -1.467 4.016 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.873 0.289 2.386 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.580 -0.883 2.737 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.547 0.730 3.488 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.556 0.828 4.008 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.337 1.319 5.209 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.560 0.096 5.630 1.00 0.00 H new ATOM 1643 N ILE C 3 8.933 2.213 5.828 1.00 0.00 N ATOM 1644 CA ILE C 3 8.075 3.302 5.390 1.00 0.00 C ATOM 1645 C ILE C 3 8.566 3.866 4.065 1.00 0.00 C ATOM 1646 O ILE C 3 9.766 3.904 3.800 1.00 0.00 O ATOM 1647 CB ILE C 3 8.033 4.404 6.463 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.255 3.929 7.693 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.320 5.657 5.950 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.109 3.114 8.650 1.00 0.00 C ATOM 0 H ILE C 3 9.815 2.523 6.235 1.00 0.00 H new ATOM 0 HA ILE C 3 7.066 2.917 5.244 1.00 0.00 H new ATOM 0 HB ILE C 3 9.069 4.631 6.714 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.852 4.794 8.219 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.405 3.328 7.370 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.308 6.415 6.733 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.847 6.044 5.078 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.296 5.405 5.673 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.505 2.804 9.503 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.490 2.232 8.136 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.945 3.721 8.998 1.00 0.00 H new ATOM 1662 N LEU C 4 7.603 4.299 3.248 1.00 0.00 N ATOM 1663 CA LEU C 4 7.838 4.856 1.927 1.00 0.00 C ATOM 1664 C LEU C 4 6.845 5.987 1.690 1.00 0.00 C ATOM 1665 O LEU C 4 5.783 6.023 2.311 1.00 0.00 O ATOM 1666 CB LEU C 4 7.695 3.755 0.873 1.00 0.00 C ATOM 1667 CG LEU C 4 8.786 2.689 1.014 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.513 1.544 0.045 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.163 3.262 0.682 1.00 0.00 C ATOM 0 H LEU C 4 6.615 4.268 3.500 1.00 0.00 H new ATOM 0 HA LEU C 4 8.849 5.258 1.854 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.715 3.287 0.967 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.744 4.196 -0.123 1.00 0.00 H new ATOM 0 HG LEU C 4 8.775 2.339 2.046 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.291 0.787 0.148 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.543 1.100 0.270 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.510 1.925 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.917 2.483 0.791 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.166 3.630 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.389 4.083 1.362 1.00 0.00 H new ATOM 1681 N THR C 5 7.191 6.908 0.790 1.00 0.00 N ATOM 1682 CA THR C 5 6.374 8.083 0.527 1.00 0.00 C ATOM 1683 C THR C 5 6.189 8.239 -0.972 1.00 0.00 C ATOM 1684 O THR C 5 7.110 8.005 -1.757 1.00 0.00 O ATOM 1685 CB THR C 5 7.048 9.322 1.124 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.403 9.081 2.467 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.119 10.535 1.108 1.00 0.00 C ATOM 0 H THR C 5 8.041 6.857 0.228 1.00 0.00 H new ATOM 0 HA THR C 5 5.395 7.967 0.991 1.00 0.00 H new ATOM 0 HB THR C 5 7.928 9.527 0.514 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.199 9.605 2.694 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.634 11.393 1.540 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.834 10.762 0.081 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.225 10.316 1.692 1.00 0.00 H new ATOM 1695 N ARG C 6 4.980 8.637 -1.370 1.00 0.00 N ATOM 1696 CA ARG C 6 4.585 8.786 -2.762 1.00 0.00 C ATOM 1697 C ARG C 6 3.666 9.991 -2.890 1.00 0.00 C ATOM 1698 O ARG C 6 3.377 10.663 -1.905 1.00 0.00 O ATOM 1699 CB ARG C 6 3.823 7.528 -3.204 1.00 0.00 C ATOM 1700 CG ARG C 6 4.650 6.241 -3.162 1.00 0.00 C ATOM 1701 CD ARG C 6 5.488 6.010 -4.423 1.00 0.00 C ATOM 1702 NE ARG C 6 6.552 6.998 -4.607 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.423 6.970 -5.620 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.419 5.975 -6.502 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.314 7.947 -5.759 1.00 0.00 N ATOM 0 H ARG C 6 4.234 8.869 -0.714 1.00 0.00 H new ATOM 0 HA ARG C 6 5.468 8.924 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG C 6 2.948 7.405 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.457 7.678 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.312 6.272 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG C 6 3.980 5.393 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.931 5.015 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.832 6.028 -5.294 1.00 0.00 H new ATOM 0 HE ARG C 6 6.633 7.751 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG C 6 6.743 5.216 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.092 5.971 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG C 6 8.333 8.719 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG C 6 8.979 7.925 -6.532 1.00 0.00 H new ATOM 1719 N LYS C 7 3.207 10.258 -4.109 1.00 0.00 N ATOM 1720 CA LYS C 7 2.171 11.245 -4.367 1.00 0.00 C ATOM 1721 C LYS C 7 1.164 10.606 -5.310 1.00 0.00 C ATOM 1722 O LYS C 7 1.499 9.649 -6.007 1.00 0.00 O ATOM 1723 CB LYS C 7 2.791 12.518 -4.943 1.00 0.00 C ATOM 1724 CG LYS C 7 1.816 13.697 -4.963 1.00 0.00 C ATOM 1725 CD LYS C 7 2.250 14.754 -5.982 1.00 0.00 C ATOM 1726 CE LYS C 7 3.692 15.206 -5.764 1.00 0.00 C ATOM 1727 NZ LYS C 7 3.849 15.936 -4.496 1.00 0.00 N ATOM 0 H LYS C 7 3.548 9.791 -4.949 1.00 0.00 H new ATOM 0 HA LYS C 7 1.661 11.543 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.668 12.788 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.137 12.321 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS C 7 0.815 13.341 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS C 7 1.762 14.145 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS C 7 2.146 14.350 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS C 7 1.586 15.616 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.350 14.337 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS C 7 4.002 15.844 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.841 16.227 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 3.240 16.779 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.577 15.319 -3.704 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.063 11.123 -5.336 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.102 10.518 -6.148 1.00 0.00 C ATOM 1743 C VAL C 8 -0.625 10.308 -7.581 1.00 0.00 C ATOM 1744 O VAL C 8 -0.193 11.242 -8.251 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.403 11.316 -6.070 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.844 11.369 -4.612 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.291 12.748 -6.585 1.00 0.00 C ATOM 0 H VAL C 8 -0.354 11.947 -4.810 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.321 9.530 -5.742 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.121 10.806 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.772 11.935 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -3.004 10.356 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.071 11.854 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.257 13.244 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.549 13.289 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.986 12.736 -7.632 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.711 9.058 -8.037 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.287 8.669 -9.378 1.00 0.00 C ATOM 1759 C GLY C 9 1.044 7.911 -9.397 1.00 0.00 C ATOM 1760 O GLY C 9 1.576 7.663 -10.479 1.00 0.00 O ATOM 0 H GLY C 9 -1.079 8.285 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.059 8.045 -9.829 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.197 9.562 -9.997 1.00 0.00 H new ATOM 1764 N GLU C 10 1.594 7.541 -8.235 1.00 0.00 N ATOM 1765 CA GLU C 10 2.867 6.830 -8.144 1.00 0.00 C ATOM 1766 C GLU C 10 2.674 5.434 -7.544 1.00 0.00 C ATOM 1767 O GLU C 10 1.564 5.076 -7.155 1.00 0.00 O ATOM 1768 CB GLU C 10 3.867 7.649 -7.326 1.00 0.00 C ATOM 1769 CG GLU C 10 4.153 9.000 -7.984 1.00 0.00 C ATOM 1770 CD GLU C 10 5.232 9.768 -7.222 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.250 9.667 -5.975 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.035 10.453 -7.895 1.00 0.00 O ATOM 0 H GLU C 10 1.164 7.729 -7.329 1.00 0.00 H new ATOM 0 HA GLU C 10 3.267 6.701 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.474 7.808 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.797 7.090 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.472 8.845 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.238 9.591 -8.019 1.00 0.00 H new ATOM 1779 N SER C 11 3.752 4.641 -7.471 1.00 0.00 N ATOM 1780 CA SER C 11 3.652 3.230 -7.105 1.00 0.00 C ATOM 1781 C SER C 11 4.785 2.756 -6.189 1.00 0.00 C ATOM 1782 O SER C 11 5.802 3.432 -6.032 1.00 0.00 O ATOM 1783 CB SER C 11 3.658 2.387 -8.384 1.00 0.00 C ATOM 1784 OG SER C 11 2.579 2.743 -9.224 1.00 0.00 O ATOM 0 H SER C 11 4.703 4.958 -7.662 1.00 0.00 H new ATOM 0 HA SER C 11 2.723 3.109 -6.547 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.600 2.529 -8.914 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.592 1.329 -8.128 1.00 0.00 H new ATOM 0 HG SER C 11 2.602 2.194 -10.036 1.00 0.00 H new ATOM 1790 N ILE C 12 4.575 1.577 -5.592 1.00 0.00 N ATOM 1791 CA ILE C 12 5.456 0.904 -4.640 1.00 0.00 C ATOM 1792 C ILE C 12 5.518 -0.572 -5.035 1.00 0.00 C ATOM 1793 O ILE C 12 4.639 -1.043 -5.755 1.00 0.00 O ATOM 1794 CB ILE C 12 4.886 1.067 -3.218 1.00 0.00 C ATOM 1795 CG1 ILE C 12 4.816 2.534 -2.776 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.684 0.263 -2.187 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.198 3.169 -2.613 1.00 0.00 C ATOM 0 H ILE C 12 3.730 1.036 -5.775 1.00 0.00 H new ATOM 0 HA ILE C 12 6.458 1.333 -4.654 1.00 0.00 H new ATOM 0 HB ILE C 12 3.870 0.675 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.244 3.103 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.277 2.599 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.249 0.406 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.653 -0.795 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.719 0.605 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.087 4.207 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE C 12 6.764 2.621 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE C 12 6.730 3.133 -3.564 1.00 0.00 H new ATOM 1809 N ASN C 13 6.533 -1.317 -4.577 1.00 0.00 N ATOM 1810 CA ASN C 13 6.709 -2.700 -4.998 1.00 0.00 C ATOM 1811 C ASN C 13 6.970 -3.628 -3.812 1.00 0.00 C ATOM 1812 O ASN C 13 7.542 -3.220 -2.804 1.00 0.00 O ATOM 1813 CB ASN C 13 7.879 -2.773 -5.980 1.00 0.00 C ATOM 1814 CG ASN C 13 7.701 -1.806 -7.139 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.229 -0.698 -7.108 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.960 -2.209 -8.164 1.00 0.00 N ATOM 0 H ASN C 13 7.237 -0.982 -3.919 1.00 0.00 H new ATOM 0 HA ASN C 13 5.788 -3.033 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.808 -2.547 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN C 13 7.969 -3.789 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.813 -1.590 -8.962 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.537 -3.137 -8.154 1.00 0.00 H new ATOM 1823 N ILE C 14 6.535 -4.887 -3.952 1.00 0.00 N ATOM 1824 CA ILE C 14 6.695 -5.925 -2.937 1.00 0.00 C ATOM 1825 C ILE C 14 7.017 -7.245 -3.629 1.00 0.00 C ATOM 1826 O ILE C 14 6.363 -7.619 -4.607 1.00 0.00 O ATOM 1827 CB ILE C 14 5.406 -6.060 -2.112 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.048 -4.726 -1.441 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.565 -7.176 -1.070 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.745 -4.800 -0.651 1.00 0.00 C ATOM 0 H ILE C 14 6.054 -5.214 -4.790 1.00 0.00 H new ATOM 0 HA ILE C 14 7.508 -5.657 -2.262 1.00 0.00 H new ATOM 0 HB ILE C 14 4.587 -6.325 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.857 -4.430 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.964 -3.951 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.647 -7.265 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.768 -8.120 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.394 -6.936 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.539 -3.831 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.928 -5.068 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.836 -5.554 0.130 1.00 0.00 H new ATOM 1842 N GLY C 15 8.023 -7.965 -3.125 1.00 0.00 N ATOM 1843 CA GLY C 15 8.444 -9.231 -3.712 1.00 0.00 C ATOM 1844 C GLY C 15 8.753 -9.068 -5.197 1.00 0.00 C ATOM 1845 O GLY C 15 9.266 -8.033 -5.618 1.00 0.00 O ATOM 0 H GLY C 15 8.562 -7.686 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.327 -9.602 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.660 -9.976 -3.580 1.00 0.00 H new ATOM 1849 N ASP C 16 8.438 -10.100 -5.975 1.00 0.00 N ATOM 1850 CA ASP C 16 8.614 -10.096 -7.419 1.00 0.00 C ATOM 1851 C ASP C 16 7.291 -10.421 -8.119 1.00 0.00 C ATOM 1852 O ASP C 16 7.278 -10.753 -9.302 1.00 0.00 O ATOM 1853 CB ASP C 16 9.752 -11.043 -7.815 1.00 0.00 C ATOM 1854 CG ASP C 16 9.445 -12.509 -7.502 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.360 -12.829 -6.296 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.299 -13.294 -8.463 1.00 0.00 O ATOM 0 H ASP C 16 8.049 -10.971 -5.614 1.00 0.00 H new ATOM 0 HA ASP C 16 8.904 -9.099 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.950 -10.939 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.662 -10.748 -7.292 1.00 0.00 H new ATOM 1861 N ASP C 17 6.178 -10.325 -7.380 1.00 0.00 N ATOM 1862 CA ASP C 17 4.854 -10.632 -7.898 1.00 0.00 C ATOM 1863 C ASP C 17 3.813 -9.589 -7.482 1.00 0.00 C ATOM 1864 O ASP C 17 2.648 -9.744 -7.841 1.00 0.00 O ATOM 1865 CB ASP C 17 4.408 -12.012 -7.407 1.00 0.00 C ATOM 1866 CG ASP C 17 5.315 -13.129 -7.918 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.265 -13.403 -9.139 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.049 -13.702 -7.081 1.00 0.00 O ATOM 0 H ASP C 17 6.179 -10.030 -6.403 1.00 0.00 H new ATOM 0 HA ASP C 17 4.924 -10.622 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.401 -12.023 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.385 -12.199 -7.734 1.00 0.00 H new ATOM 1873 N ILE C 18 4.185 -8.534 -6.743 1.00 0.00 N ATOM 1874 CA ILE C 18 3.202 -7.563 -6.274 1.00 0.00 C ATOM 1875 C ILE C 18 3.690 -6.130 -6.470 1.00 0.00 C ATOM 1876 O ILE C 18 4.878 -5.836 -6.354 1.00 0.00 O ATOM 1877 CB ILE C 18 2.877 -7.810 -4.793 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.399 -9.244 -4.531 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.786 -6.844 -4.317 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.562 -10.107 -4.044 1.00 0.00 C ATOM 0 H ILE C 18 5.146 -8.338 -6.463 1.00 0.00 H new ATOM 0 HA ILE C 18 2.298 -7.693 -6.869 1.00 0.00 H new ATOM 0 HB ILE C 18 3.803 -7.646 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.603 -9.239 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.979 -9.668 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.567 -7.032 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.131 -5.817 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.883 -6.995 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.210 -11.122 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.344 -10.125 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.962 -9.690 -3.120 1.00 0.00 H new ATOM 1892 N THR C 19 2.739 -5.245 -6.772 1.00 0.00 N ATOM 1893 CA THR C 19 2.957 -3.815 -6.916 1.00 0.00 C ATOM 1894 C THR C 19 1.750 -3.098 -6.311 1.00 0.00 C ATOM 1895 O THR C 19 0.658 -3.668 -6.240 1.00 0.00 O ATOM 1896 CB THR C 19 3.132 -3.478 -8.402 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.281 -4.137 -8.895 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.299 -1.983 -8.655 1.00 0.00 C ATOM 0 H THR C 19 1.768 -5.517 -6.927 1.00 0.00 H new ATOM 0 HA THR C 19 3.860 -3.492 -6.397 1.00 0.00 H new ATOM 0 HB THR C 19 2.226 -3.808 -8.911 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.397 -3.926 -9.845 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.419 -1.806 -9.724 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.417 -1.452 -8.296 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.181 -1.621 -8.126 1.00 0.00 H new ATOM 1906 N ILE C 20 1.945 -1.854 -5.871 1.00 0.00 N ATOM 1907 CA ILE C 20 0.916 -1.047 -5.228 1.00 0.00 C ATOM 1908 C ILE C 20 0.915 0.322 -5.895 1.00 0.00 C ATOM 1909 O ILE C 20 1.962 0.778 -6.350 1.00 0.00 O ATOM 1910 CB ILE C 20 1.228 -0.919 -3.730 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.363 -2.281 -3.041 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.171 -0.070 -3.020 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.041 -3.038 -2.950 1.00 0.00 C ATOM 0 H ILE C 20 2.841 -1.373 -5.955 1.00 0.00 H new ATOM 0 HA ILE C 20 -0.065 -1.510 -5.332 1.00 0.00 H new ATOM 0 HB ILE C 20 2.194 -0.419 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.086 -2.888 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.762 -2.136 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.416 0.005 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.151 0.928 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.807 -0.537 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.203 -3.994 -2.452 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.677 -2.449 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.348 -3.212 -3.953 1.00 0.00 H new ATOM 1925 N THR C 21 -0.240 0.985 -5.961 1.00 0.00 N ATOM 1926 CA THR C 21 -0.353 2.275 -6.627 1.00 0.00 C ATOM 1927 C THR C 21 -1.374 3.161 -5.931 1.00 0.00 C ATOM 1928 O THR C 21 -2.508 2.743 -5.699 1.00 0.00 O ATOM 1929 CB THR C 21 -0.776 2.056 -8.087 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.170 1.239 -8.740 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.865 3.380 -8.844 1.00 0.00 C ATOM 0 H THR C 21 -1.113 0.644 -5.558 1.00 0.00 H new ATOM 0 HA THR C 21 0.616 2.772 -6.587 1.00 0.00 H new ATOM 0 HB THR C 21 -1.757 1.581 -8.078 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.988 1.753 -8.905 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.167 3.191 -9.874 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.600 4.025 -8.363 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.108 3.870 -8.835 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.971 4.388 -5.591 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.849 5.383 -4.999 1.00 0.00 C ATOM 1941 C ILE C 22 -2.622 6.060 -6.131 1.00 0.00 C ATOM 1942 O ILE C 22 -2.102 6.947 -6.803 1.00 0.00 O ATOM 1943 CB ILE C 22 -1.023 6.362 -4.145 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.821 7.607 -3.749 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.262 6.823 -4.833 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -3.068 7.238 -2.958 1.00 0.00 C ATOM 0 H ILE C 22 -0.014 4.716 -5.723 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.575 4.933 -4.321 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.764 5.790 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.193 8.269 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -2.106 8.159 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.798 7.511 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.891 5.959 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.014 7.329 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.612 8.145 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.707 6.596 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.779 6.709 -2.050 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.874 5.644 -6.353 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.655 6.166 -7.466 1.00 0.00 C ATOM 1960 C LEU C 23 -5.042 7.620 -7.197 1.00 0.00 C ATOM 1961 O LEU C 23 -5.207 8.400 -8.134 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.917 5.326 -7.707 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.778 3.841 -7.372 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -7.150 3.194 -7.541 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.778 3.137 -8.283 1.00 0.00 C ATOM 0 H LEU C 23 -4.359 4.954 -5.780 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.038 6.114 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.731 5.742 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.204 5.422 -8.754 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.410 3.746 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -7.082 2.131 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.862 3.669 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.487 3.319 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.713 2.084 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -5.107 3.221 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.798 3.602 -8.175 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.183 7.982 -5.921 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.461 9.352 -5.513 1.00 0.00 C ATOM 1979 C GLY C 24 -6.072 9.400 -4.116 1.00 0.00 C ATOM 1980 O GLY C 24 -6.131 8.386 -3.423 1.00 0.00 O ATOM 0 H GLY C 24 -5.107 7.328 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.539 9.933 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.142 9.815 -6.227 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.530 10.583 -3.697 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.178 10.751 -2.401 1.00 0.00 C ATOM 1986 C VAL C 25 -8.546 11.399 -2.573 1.00 0.00 C ATOM 1987 O VAL C 25 -8.904 11.865 -3.656 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.305 11.524 -1.400 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.843 11.080 -1.448 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.360 13.033 -1.622 1.00 0.00 C ATOM 0 H VAL C 25 -6.461 11.442 -4.243 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.318 9.758 -1.974 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.722 11.293 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.265 11.654 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.777 10.019 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.444 11.250 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.726 13.532 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.006 13.266 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.387 13.380 -1.510 1.00 0.00 H new ATOM 2000 N SER C 26 -9.307 11.425 -1.479 1.00 0.00 N ATOM 2001 CA SER C 26 -10.654 11.975 -1.432 1.00 0.00 C ATOM 2002 C SER C 26 -10.836 12.710 -0.108 1.00 0.00 C ATOM 2003 O SER C 26 -11.877 12.613 0.534 1.00 0.00 O ATOM 2004 CB SER C 26 -11.667 10.841 -1.565 1.00 0.00 C ATOM 2005 OG SER C 26 -11.742 10.382 -2.897 1.00 0.00 O ATOM 0 H SER C 26 -8.993 11.055 -0.582 1.00 0.00 H new ATOM 0 HA SER C 26 -10.810 12.675 -2.253 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.385 10.018 -0.909 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.649 11.186 -1.240 1.00 0.00 H new ATOM 0 HG SER C 26 -12.676 10.195 -3.126 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.800 13.451 0.293 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.741 14.111 1.585 1.00 0.00 C ATOM 2013 C GLY C 27 -8.751 13.371 2.478 1.00 0.00 C ATOM 2014 O GLY C 27 -7.731 12.883 1.993 1.00 0.00 O ATOM 0 H GLY C 27 -8.972 13.607 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.434 15.150 1.463 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.728 14.123 2.047 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.043 13.281 3.777 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.231 12.481 4.690 1.00 0.00 C ATOM 2020 C GLN C 28 -8.460 10.984 4.477 1.00 0.00 C ATOM 2021 O GLN C 28 -7.959 10.160 5.248 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.483 12.910 6.137 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.203 13.521 6.710 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.805 14.791 5.958 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.955 14.661 4.938 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.262 15.881 6.292 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.834 13.751 4.217 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.179 12.663 4.471 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.296 13.635 6.178 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.790 12.052 6.735 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.349 13.752 7.765 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.393 12.793 6.652 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.910 15.943 7.077 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.994 16.724 5.784 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.211 10.637 3.426 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.351 9.265 2.982 1.00 0.00 C ATOM 2037 C GLN C 29 -8.564 9.107 1.681 1.00 0.00 C ATOM 2038 O GLN C 29 -8.369 10.071 0.946 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.831 8.878 2.870 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.500 9.378 1.598 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.954 8.925 1.557 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.692 9.090 2.524 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.383 8.347 0.436 1.00 0.00 N ATOM 0 H GLN C 29 -9.736 11.308 2.865 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.935 8.568 3.710 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.918 7.792 2.913 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.367 9.275 3.732 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.449 10.466 1.555 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.968 8.999 0.725 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.745 8.224 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.349 8.028 0.364 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.111 7.887 1.404 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.159 7.611 0.343 1.00 0.00 C ATOM 2054 C VAL C 30 -7.634 6.400 -0.449 1.00 0.00 C ATOM 2055 O VAL C 30 -8.290 5.523 0.110 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.788 7.351 0.980 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.729 7.082 -0.079 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.322 8.552 1.807 1.00 0.00 C ATOM 0 H VAL C 30 -8.401 7.056 1.919 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.078 8.456 -0.340 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.908 6.478 1.621 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.769 6.902 0.404 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -5.012 6.206 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.647 7.946 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.348 8.336 2.245 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.245 9.429 1.164 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.042 8.748 2.602 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.304 6.344 -1.745 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.725 5.246 -2.602 1.00 0.00 C ATOM 2070 C ARG C 31 -6.516 4.690 -3.331 1.00 0.00 C ATOM 2071 O ARG C 31 -5.805 5.409 -4.036 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.816 5.725 -3.556 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.525 4.537 -4.205 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.809 5.005 -4.887 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.793 5.492 -3.909 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.085 6.779 -3.690 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.461 7.752 -4.347 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.015 7.107 -2.798 1.00 0.00 N ATOM 0 H ARG C 31 -6.744 7.053 -2.218 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.152 4.438 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.539 6.334 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.379 6.360 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.867 4.064 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.757 3.785 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.576 5.799 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.239 4.182 -5.458 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.291 4.795 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.743 7.524 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.700 8.726 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.506 6.377 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.238 8.088 -2.631 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.296 3.391 -3.142 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.076 2.718 -3.544 1.00 0.00 C ATOM 2094 C ILE C 32 -5.436 1.402 -4.220 1.00 0.00 C ATOM 2095 O ILE C 32 -6.396 0.737 -3.832 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.237 2.487 -2.277 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.713 3.823 -1.740 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.056 1.549 -2.544 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.414 3.725 -0.246 1.00 0.00 C ATOM 0 H ILE C 32 -6.974 2.772 -2.698 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.501 3.313 -4.254 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.885 2.019 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -2.809 4.108 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.450 4.606 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.487 1.410 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.428 0.585 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.411 1.984 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.043 4.684 0.115 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.326 3.463 0.291 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.659 2.957 -0.076 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.650 1.037 -5.231 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.841 -0.187 -5.971 1.00 0.00 C ATOM 2113 C GLY C 33 -3.695 -1.146 -5.695 1.00 0.00 C ATOM 2114 O GLY C 33 -2.644 -0.757 -5.187 1.00 0.00 O ATOM 0 H GLY C 33 -3.859 1.594 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.788 -0.648 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.897 0.028 -7.038 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.916 -2.409 -6.045 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.985 -3.491 -5.800 1.00 0.00 C ATOM 2120 C ILE C 34 -2.898 -4.301 -7.085 1.00 0.00 C ATOM 2121 O ILE C 34 -3.873 -4.421 -7.824 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.480 -4.338 -4.620 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.656 -3.452 -3.378 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.498 -5.471 -4.330 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.281 -4.208 -2.208 1.00 0.00 C ATOM 0 H ILE C 34 -4.769 -2.710 -6.517 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.994 -3.123 -5.533 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.444 -4.776 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.686 -3.058 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.283 -2.597 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.863 -6.063 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.407 -6.107 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.523 -5.053 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.384 -3.537 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.264 -4.579 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.642 -5.048 -1.934 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.720 -4.855 -7.345 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.443 -5.530 -8.599 1.00 0.00 C ATOM 2139 C ASN C 35 -0.646 -6.793 -8.302 1.00 0.00 C ATOM 2140 O ASN C 35 0.581 -6.766 -8.238 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.692 -4.574 -9.525 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.450 -5.184 -10.900 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -0.972 -6.248 -11.224 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.349 -4.510 -11.723 1.00 0.00 N ATOM 0 H ASN C 35 -0.935 -4.847 -6.693 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.363 -5.822 -9.105 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.262 -3.651 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.264 -4.307 -9.073 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.545 -4.874 -12.656 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.766 -3.629 -11.421 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.368 -7.895 -8.123 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.788 -9.182 -7.791 1.00 0.00 C ATOM 2153 C ALA C 36 -1.558 -10.298 -8.487 1.00 0.00 C ATOM 2154 O ALA C 36 -2.710 -10.107 -8.871 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.863 -9.384 -6.277 1.00 0.00 C ATOM 0 H ALA C 36 -2.384 -7.914 -8.207 1.00 0.00 H new ATOM 0 HA ALA C 36 0.250 -9.207 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.429 -10.350 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.309 -8.590 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.905 -9.356 -5.957 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.928 -11.466 -8.652 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.596 -12.660 -9.121 1.00 0.00 C ATOM 2163 C PRO C 37 -2.571 -13.151 -8.061 1.00 0.00 C ATOM 2164 O PRO C 37 -2.415 -12.858 -6.877 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.477 -13.679 -9.332 1.00 0.00 C ATOM 2166 CG PRO C 37 0.634 -13.226 -8.392 1.00 0.00 C ATOM 2167 CD PRO C 37 0.476 -11.711 -8.387 1.00 0.00 C ATOM 0 HA PRO C 37 -2.168 -12.491 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.810 -14.689 -9.095 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.140 -13.690 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.516 -13.648 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.617 -13.529 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.773 -11.289 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.105 -11.248 -9.147 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.581 -13.907 -8.484 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.529 -14.522 -7.563 1.00 0.00 C ATOM 2177 C LYS C 38 -3.854 -15.683 -6.842 1.00 0.00 C ATOM 2178 O LYS C 38 -4.458 -16.347 -6.005 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.770 -14.952 -8.336 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.353 -13.701 -8.992 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.412 -14.054 -10.023 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.822 -14.056 -9.426 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.015 -15.160 -8.464 1.00 0.00 N ATOM 0 H LYS C 38 -3.763 -14.109 -9.467 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.848 -13.811 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.514 -15.697 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.499 -15.411 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.788 -13.057 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.554 -13.133 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.368 -13.340 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.195 -15.037 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -9.006 -13.104 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -9.555 -14.142 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.031 -15.352 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.537 -16.014 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -8.613 -14.892 -7.543 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.587 -15.914 -7.188 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.692 -16.834 -6.497 1.00 0.00 C ATOM 2199 C ASP C 39 -1.392 -16.323 -5.087 1.00 0.00 C ATOM 2200 O ASP C 39 -0.784 -17.030 -4.286 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.387 -16.957 -7.288 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.579 -17.813 -8.536 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.458 -19.053 -8.414 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.846 -17.222 -9.607 1.00 0.00 O ATOM 0 H ASP C 39 -2.145 -15.450 -7.982 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.171 -17.810 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.037 -15.965 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.384 -17.398 -6.656 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.825 -15.092 -4.789 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.688 -14.486 -3.475 1.00 0.00 C ATOM 2211 C VAL C 40 -2.985 -13.760 -3.146 1.00 0.00 C ATOM 2212 O VAL C 40 -3.771 -13.448 -4.041 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.488 -13.524 -3.431 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.781 -14.221 -3.927 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.712 -12.301 -4.312 1.00 0.00 C ATOM 0 H VAL C 40 -2.286 -14.487 -5.469 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.500 -15.260 -2.731 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.379 -13.214 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.618 -13.524 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.995 -15.081 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.635 -14.555 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.158 -11.646 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.859 -12.618 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.595 -11.762 -3.969 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.215 -13.488 -1.863 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.471 -12.905 -1.426 1.00 0.00 C ATOM 2227 C ALA C 41 -4.251 -11.478 -0.949 1.00 0.00 C ATOM 2228 O ALA C 41 -3.200 -11.162 -0.395 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.039 -13.767 -0.300 1.00 0.00 C ATOM 0 H ALA C 41 -2.546 -13.663 -1.113 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.177 -12.875 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.984 -13.344 0.041 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.207 -14.780 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.333 -13.793 0.530 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.249 -10.616 -1.164 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.184 -9.234 -0.717 1.00 0.00 C ATOM 2237 C VAL C 42 -6.575 -8.786 -0.279 1.00 0.00 C ATOM 2238 O VAL C 42 -7.534 -8.921 -1.036 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.632 -8.324 -1.829 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.197 -8.712 -2.183 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.450 -8.383 -3.119 1.00 0.00 C ATOM 0 H VAL C 42 -6.113 -10.859 -1.648 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.502 -9.159 0.130 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.684 -7.313 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.827 -8.056 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.565 -8.612 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.175 -9.745 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.007 -7.719 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.453 -9.404 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.474 -8.069 -2.915 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.699 -8.257 0.941 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.988 -7.789 1.437 1.00 0.00 C ATOM 2253 C HIS C 43 -7.812 -6.733 2.515 1.00 0.00 C ATOM 2254 O HIS C 43 -6.730 -6.575 3.079 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.812 -8.934 2.043 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.770 -10.241 1.300 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.739 -10.680 0.393 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.790 -11.187 1.400 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.314 -11.886 -0.028 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.152 -12.213 0.561 1.00 0.00 N ATOM 0 H HIS C 43 -5.926 -8.144 1.597 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.510 -7.370 0.576 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.464 -9.106 3.061 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.851 -8.611 2.112 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.588 -10.190 0.110 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.905 -11.138 2.017 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.836 -12.506 -0.742 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.896 -6.008 2.805 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.948 -5.095 3.933 1.00 0.00 C ATOM 2270 C ARG C 44 -8.950 -5.923 5.215 1.00 0.00 C ATOM 2271 O ARG C 44 -9.372 -7.078 5.200 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.211 -4.236 3.804 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.369 -3.227 4.945 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.612 -2.375 4.699 1.00 0.00 C ATOM 2275 NE ARG C 44 -11.946 -1.555 5.870 1.00 0.00 N ATOM 2276 CZ ARG C 44 -11.460 -0.336 6.120 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -10.613 0.257 5.285 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -11.834 0.301 7.222 1.00 0.00 N ATOM 0 H ARG C 44 -9.758 -6.043 2.260 1.00 0.00 H new ATOM 0 HA ARG C 44 -8.086 -4.428 3.956 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.184 -3.701 2.855 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -11.085 -4.887 3.779 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.455 -3.749 5.898 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.486 -2.592 5.008 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.446 -1.729 3.837 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.455 -3.022 4.455 1.00 0.00 H new ATOM 0 HE ARG C 44 -12.601 -1.947 6.546 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -10.321 -0.219 4.432 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -10.255 1.188 5.497 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -12.487 -0.140 7.869 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -11.468 1.232 7.422 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.487 -5.349 6.328 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.476 -6.041 7.614 1.00 0.00 C ATOM 2294 C GLU C 45 -9.863 -6.597 7.944 1.00 0.00 C ATOM 2295 O GLU C 45 -9.968 -7.652 8.566 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.036 -5.063 8.703 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.512 -5.029 8.823 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.959 -6.254 9.557 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.775 -7.042 10.090 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.717 -6.394 9.579 1.00 0.00 O ATOM 0 H GLU C 45 -8.113 -4.401 6.361 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.779 -6.877 7.561 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.409 -4.065 8.473 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.473 -5.355 9.658 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.073 -4.976 7.827 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.212 -4.125 9.352 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.929 -5.906 7.539 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.276 -6.367 7.833 1.00 0.00 C ATOM 2309 C GLU C 46 -12.566 -7.701 7.152 1.00 0.00 C ATOM 2310 O GLU C 46 -13.191 -8.561 7.764 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.279 -5.297 7.392 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.728 -5.719 7.658 1.00 0.00 C ATOM 2313 CD GLU C 46 -14.992 -5.994 9.139 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.550 -5.173 9.971 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.639 -7.028 9.428 1.00 0.00 O ATOM 0 H GLU C 46 -10.882 -5.034 7.012 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.370 -6.529 8.907 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.071 -4.366 7.920 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.150 -5.096 6.328 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.401 -4.935 7.311 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.955 -6.614 7.079 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.125 -7.895 5.904 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.359 -9.144 5.190 1.00 0.00 C ATOM 2324 C ILE C 47 -11.354 -10.187 5.667 1.00 0.00 C ATOM 2325 O ILE C 47 -11.696 -11.356 5.845 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.181 -8.918 3.679 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.396 -8.254 3.019 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.992 -10.255 2.951 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.696 -6.863 3.574 1.00 0.00 C ATOM 0 H ILE C 47 -11.604 -7.199 5.371 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.374 -9.491 5.385 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.310 -8.268 3.593 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.223 -8.180 1.945 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.270 -8.890 3.158 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.868 -10.074 1.883 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.107 -10.759 3.339 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.867 -10.884 3.113 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.566 -6.448 3.065 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.899 -6.934 4.643 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.836 -6.213 3.411 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.109 -9.755 5.873 1.00 0.00 N ATOM 2342 CA TYR C 48 -9.005 -10.636 6.215 1.00 0.00 C ATOM 2343 C TYR C 48 -9.263 -11.397 7.512 1.00 0.00 C ATOM 2344 O TYR C 48 -8.811 -12.528 7.672 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.751 -9.779 6.352 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.522 -10.568 6.722 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.782 -11.235 5.732 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.127 -10.636 8.065 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.639 -11.967 6.087 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.994 -11.374 8.425 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.238 -12.036 7.435 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.122 -12.740 7.783 1.00 0.00 O ATOM 0 H TYR C 48 -9.842 -8.773 5.805 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.886 -11.382 5.429 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.570 -9.260 5.411 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.924 -9.014 7.109 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -6.092 -11.184 4.699 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.697 -10.119 8.822 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -4.067 -12.477 5.326 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.698 -11.437 9.462 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.988 -12.683 8.752 1.00 0.00 H new