USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 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= -0.235 X(o=-0.24,f=-0.054) 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 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot -88:sc= 0.214 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.21 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.468 K(o=-0.47,f=-3.7!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -124:sc= -0.0462 (180deg=-0.291) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0514 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0187 (180deg=-0.244) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.59) USER MOD Single : A 29 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 35 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.254 (180deg=-0.695) USER MOD Single : A 43 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-2.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 135:sc= 0.017 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 140:sc= 0.234 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.893 X(o=-0.89,f=-0.95) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0351 K(o=-0.035,f=-1.7) USER MOD Single : C 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0946) USER MOD Single : C 43 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-2.1) USER MOD Single : C 48 TYR OH : rot -43:sc= 0.285 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.385 9.948 -3.137 1.00 0.00 N ATOM 2 CA MET A 1 -7.402 8.857 -3.290 1.00 0.00 C ATOM 3 C MET A 1 -6.203 9.326 -4.103 1.00 0.00 C ATOM 4 O MET A 1 -6.331 10.206 -4.951 1.00 0.00 O ATOM 5 CB MET A 1 -8.027 7.660 -4.007 1.00 0.00 C ATOM 6 CG MET A 1 -7.146 6.411 -3.972 1.00 0.00 C ATOM 7 SD MET A 1 -7.561 5.256 -2.658 1.00 0.00 S ATOM 8 CE MET A 1 -9.002 4.603 -3.520 1.00 0.00 C ATOM 0 H1 MET A 1 -9.333 9.598 -3.381 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.382 10.282 -2.152 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.133 10.734 -3.770 1.00 0.00 H new ATOM 0 HA MET A 1 -7.083 8.563 -2.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.989 7.431 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.225 7.929 -5.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.224 5.898 -4.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.106 6.716 -3.858 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.883 4.709 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.153 5.156 -4.447 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.843 3.549 -3.748 1.00 0.00 H new ATOM 20 N LEU A 2 -5.041 8.727 -3.840 1.00 0.00 N ATOM 21 CA LEU A 2 -3.845 8.916 -4.633 1.00 0.00 C ATOM 22 C LEU A 2 -3.356 7.528 -5.052 1.00 0.00 C ATOM 23 O LEU A 2 -2.833 6.775 -4.231 1.00 0.00 O ATOM 24 CB LEU A 2 -2.847 9.729 -3.796 1.00 0.00 C ATOM 25 CG LEU A 2 -1.572 10.163 -4.526 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.507 9.076 -4.472 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.843 10.525 -5.985 1.00 0.00 C ATOM 0 H LEU A 2 -4.911 8.088 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.005 9.484 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.353 10.620 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.563 9.137 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.210 11.051 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.385 9.414 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.256 8.864 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.887 8.171 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.912 10.827 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.254 9.659 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.557 11.348 -6.029 1.00 0.00 H new ATOM 39 N ILE A 3 -3.534 7.194 -6.337 1.00 0.00 N ATOM 40 CA ILE A 3 -3.220 5.886 -6.893 1.00 0.00 C ATOM 41 C ILE A 3 -1.883 5.932 -7.630 1.00 0.00 C ATOM 42 O ILE A 3 -1.552 6.935 -8.262 1.00 0.00 O ATOM 43 CB ILE A 3 -4.319 5.449 -7.873 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.680 5.289 -7.192 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.958 4.100 -8.493 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.450 6.603 -7.180 1.00 0.00 C ATOM 0 H ILE A 3 -3.909 7.845 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.158 5.171 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.389 6.232 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.262 4.528 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.539 4.938 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.742 3.797 -9.187 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.013 4.187 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.861 3.352 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.412 6.456 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.877 7.355 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.612 6.939 -8.204 1.00 0.00 H new ATOM 58 N LEU A 4 -1.124 4.840 -7.551 1.00 0.00 N ATOM 59 CA LEU A 4 0.139 4.683 -8.261 1.00 0.00 C ATOM 60 C LEU A 4 0.564 3.213 -8.298 1.00 0.00 C ATOM 61 O LEU A 4 -0.092 2.364 -7.696 1.00 0.00 O ATOM 62 CB LEU A 4 1.198 5.599 -7.631 1.00 0.00 C ATOM 63 CG LEU A 4 1.237 5.599 -6.098 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.912 4.349 -5.542 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.027 6.826 -5.657 1.00 0.00 C ATOM 0 H LEU A 4 -1.375 4.030 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 4 0.019 4.988 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.179 5.302 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.022 6.619 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 4 0.215 5.615 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.917 4.392 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.365 3.464 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.937 4.296 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.074 6.857 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.037 6.773 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.535 7.727 -6.024 1.00 0.00 H new ATOM 77 N THR A 5 1.666 2.903 -8.997 1.00 0.00 N ATOM 78 CA THR A 5 2.185 1.537 -9.055 1.00 0.00 C ATOM 79 C THR A 5 3.572 1.449 -8.440 1.00 0.00 C ATOM 80 O THR A 5 4.306 2.435 -8.363 1.00 0.00 O ATOM 81 CB THR A 5 2.320 1.016 -10.492 1.00 0.00 C ATOM 82 OG1 THR A 5 3.010 1.950 -11.293 1.00 0.00 O ATOM 83 CG2 THR A 5 1.004 0.655 -11.164 1.00 0.00 C ATOM 0 H THR A 5 2.211 3.582 -9.528 1.00 0.00 H new ATOM 0 HA THR A 5 1.462 0.936 -8.504 1.00 0.00 H new ATOM 0 HB THR A 5 2.884 0.087 -10.403 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.089 1.602 -12.206 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.198 0.297 -12.175 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.506 -0.127 -10.591 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.364 1.536 -11.208 1.00 0.00 H new ATOM 91 N ARG A 6 3.910 0.232 -8.005 1.00 0.00 N ATOM 92 CA ARG A 6 5.226 -0.152 -7.517 1.00 0.00 C ATOM 93 C ARG A 6 5.473 -1.598 -7.919 1.00 0.00 C ATOM 94 O ARG A 6 4.536 -2.310 -8.284 1.00 0.00 O ATOM 95 CB ARG A 6 5.284 -0.030 -5.990 1.00 0.00 C ATOM 96 CG ARG A 6 5.541 1.397 -5.507 1.00 0.00 C ATOM 97 CD ARG A 6 7.037 1.697 -5.380 1.00 0.00 C ATOM 98 NE ARG A 6 7.756 1.602 -6.656 1.00 0.00 N ATOM 99 CZ ARG A 6 8.461 2.594 -7.206 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.570 3.780 -6.614 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.074 2.413 -8.369 1.00 0.00 N ATOM 0 H ARG A 6 3.243 -0.540 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 6 5.985 0.503 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.344 -0.385 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.070 -0.682 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.087 2.103 -6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.058 1.546 -4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.167 2.699 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.481 1.002 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 6 7.714 0.715 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.109 3.948 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.114 4.522 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.008 1.514 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.611 3.173 -8.786 1.00 0.00 H new ATOM 115 N LYS A 7 6.729 -2.031 -7.853 1.00 0.00 N ATOM 116 CA LYS A 7 7.108 -3.407 -8.129 1.00 0.00 C ATOM 117 C LYS A 7 7.451 -4.100 -6.821 1.00 0.00 C ATOM 118 O LYS A 7 7.861 -3.451 -5.860 1.00 0.00 O ATOM 119 CB LYS A 7 8.344 -3.431 -9.025 1.00 0.00 C ATOM 120 CG LYS A 7 8.049 -3.138 -10.494 1.00 0.00 C ATOM 121 CD LYS A 7 7.304 -4.320 -11.113 1.00 0.00 C ATOM 122 CE LYS A 7 7.220 -4.230 -12.635 1.00 0.00 C ATOM 123 NZ LYS A 7 8.547 -4.323 -13.265 1.00 0.00 N ATOM 0 H LYS A 7 7.515 -1.430 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 7 6.280 -3.914 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.063 -2.699 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.818 -4.410 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.450 -2.232 -10.581 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.979 -2.959 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.806 -5.247 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.297 -4.366 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.583 -5.030 -13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.749 -3.288 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.437 -4.530 -14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.051 -3.421 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.093 -5.085 -12.814 1.00 0.00 H new ATOM 137 N VAL A 8 7.287 -5.424 -6.783 1.00 0.00 N ATOM 138 CA VAL A 8 7.648 -6.206 -5.612 1.00 0.00 C ATOM 139 C VAL A 8 9.128 -5.996 -5.292 1.00 0.00 C ATOM 140 O VAL A 8 9.998 -6.377 -6.069 1.00 0.00 O ATOM 141 CB VAL A 8 7.288 -7.673 -5.810 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.764 -7.753 -5.761 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.791 -8.267 -7.125 1.00 0.00 C ATOM 0 H VAL A 8 6.906 -5.972 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 8 7.074 -5.865 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 8 7.772 -8.257 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.449 -8.788 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.412 -7.392 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.342 -7.137 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.493 -9.314 -7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.361 -7.716 -7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.878 -8.196 -7.164 1.00 0.00 H new ATOM 153 N GLY A 9 9.403 -5.386 -4.137 1.00 0.00 N ATOM 154 CA GLY A 9 10.759 -5.078 -3.710 1.00 0.00 C ATOM 155 C GLY A 9 11.029 -3.571 -3.640 1.00 0.00 C ATOM 156 O GLY A 9 12.179 -3.172 -3.463 1.00 0.00 O ATOM 0 H GLY A 9 8.686 -5.093 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.936 -5.521 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.466 -5.538 -4.400 1.00 0.00 H new ATOM 160 N GLU A 10 9.994 -2.735 -3.775 1.00 0.00 N ATOM 161 CA GLU A 10 10.135 -1.282 -3.748 1.00 0.00 C ATOM 162 C GLU A 10 9.343 -0.682 -2.584 1.00 0.00 C ATOM 163 O GLU A 10 8.713 -1.411 -1.820 1.00 0.00 O ATOM 164 CB GLU A 10 9.704 -0.690 -5.091 1.00 0.00 C ATOM 165 CG GLU A 10 10.573 -1.237 -6.225 1.00 0.00 C ATOM 166 CD GLU A 10 10.250 -0.546 -7.549 1.00 0.00 C ATOM 167 OE1 GLU A 10 9.043 -0.419 -7.867 1.00 0.00 O ATOM 168 OE2 GLU A 10 11.213 -0.148 -8.239 1.00 0.00 O ATOM 0 H GLU A 10 9.033 -3.052 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 10 11.183 -1.029 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.657 -0.928 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.782 0.397 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.626 -1.092 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.414 -2.311 -6.324 1.00 0.00 H new ATOM 175 N SER A 11 9.372 0.648 -2.440 1.00 0.00 N ATOM 176 CA SER A 11 8.841 1.308 -1.249 1.00 0.00 C ATOM 177 C SER A 11 8.078 2.596 -1.553 1.00 0.00 C ATOM 178 O SER A 11 8.066 3.089 -2.682 1.00 0.00 O ATOM 179 CB SER A 11 9.991 1.606 -0.291 1.00 0.00 C ATOM 180 OG SER A 11 10.611 0.408 0.121 1.00 0.00 O ATOM 0 H SER A 11 9.759 1.286 -3.136 1.00 0.00 H new ATOM 0 HA SER A 11 8.121 0.624 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.721 2.252 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.618 2.147 0.578 1.00 0.00 H new ATOM 0 HG SER A 11 10.153 0.058 0.914 1.00 0.00 H new ATOM 186 N ILE A 12 7.442 3.130 -0.508 1.00 0.00 N ATOM 187 CA ILE A 12 6.519 4.262 -0.532 1.00 0.00 C ATOM 188 C ILE A 12 6.588 4.936 0.843 1.00 0.00 C ATOM 189 O ILE A 12 7.147 4.369 1.782 1.00 0.00 O ATOM 190 CB ILE A 12 5.084 3.775 -0.818 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.040 2.815 -2.017 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.124 4.944 -1.076 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.619 2.335 -2.300 1.00 0.00 C ATOM 0 H ILE A 12 7.567 2.759 0.434 1.00 0.00 H new ATOM 0 HA ILE A 12 6.793 4.965 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 12 4.760 3.244 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.438 3.316 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.682 1.957 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.124 4.557 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.096 5.592 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.469 5.514 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.627 1.658 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.231 1.812 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.983 3.192 -2.522 1.00 0.00 H new ATOM 205 N ASN A 13 6.026 6.140 0.979 1.00 0.00 N ATOM 206 CA ASN A 13 6.048 6.886 2.228 1.00 0.00 C ATOM 207 C ASN A 13 4.751 7.654 2.451 1.00 0.00 C ATOM 208 O ASN A 13 4.043 8.000 1.502 1.00 0.00 O ATOM 209 CB ASN A 13 7.222 7.866 2.219 1.00 0.00 C ATOM 210 CG ASN A 13 8.553 7.146 2.342 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.215 6.867 1.349 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.949 6.834 3.572 1.00 0.00 N ATOM 0 H ASN A 13 5.543 6.621 0.220 1.00 0.00 H new ATOM 0 HA ASN A 13 6.160 6.170 3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.205 8.446 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.113 8.573 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.833 6.345 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.369 7.084 4.373 1.00 0.00 H new ATOM 219 N ILE A 14 4.453 7.919 3.728 1.00 0.00 N ATOM 220 CA ILE A 14 3.285 8.675 4.156 1.00 0.00 C ATOM 221 C ILE A 14 3.713 9.597 5.295 1.00 0.00 C ATOM 222 O ILE A 14 4.548 9.224 6.124 1.00 0.00 O ATOM 223 CB ILE A 14 2.175 7.712 4.601 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.753 6.811 3.433 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.971 8.503 5.126 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.674 5.805 3.835 1.00 0.00 C ATOM 0 H ILE A 14 5.034 7.604 4.505 1.00 0.00 H new ATOM 0 HA ILE A 14 2.888 9.274 3.337 1.00 0.00 H new ATOM 0 HB ILE A 14 2.557 7.082 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.383 7.430 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.625 6.275 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.189 7.811 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.278 9.112 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.588 9.150 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.410 5.191 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.051 5.166 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.209 6.339 4.184 1.00 0.00 H new ATOM 238 N GLY A 15 3.138 10.803 5.336 1.00 0.00 N ATOM 239 CA GLY A 15 3.508 11.810 6.318 1.00 0.00 C ATOM 240 C GLY A 15 5.015 12.039 6.269 1.00 0.00 C ATOM 241 O GLY A 15 5.598 12.163 5.192 1.00 0.00 O ATOM 0 H GLY A 15 2.407 11.101 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.981 12.742 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.211 11.487 7.316 1.00 0.00 H new ATOM 245 N ASP A 16 5.639 12.093 7.444 1.00 0.00 N ATOM 246 CA ASP A 16 7.082 12.223 7.575 1.00 0.00 C ATOM 247 C ASP A 16 7.572 11.283 8.677 1.00 0.00 C ATOM 248 O ASP A 16 8.676 11.434 9.199 1.00 0.00 O ATOM 249 CB ASP A 16 7.430 13.689 7.847 1.00 0.00 C ATOM 250 CG ASP A 16 8.935 13.937 7.916 1.00 0.00 C ATOM 251 OD1 ASP A 16 9.649 13.396 7.041 1.00 0.00 O ATOM 252 OD2 ASP A 16 9.359 14.659 8.847 1.00 0.00 O ATOM 0 H ASP A 16 5.150 12.047 8.338 1.00 0.00 H new ATOM 0 HA ASP A 16 7.588 11.934 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.999 14.311 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.972 13.998 8.787 1.00 0.00 H new ATOM 257 N ASP A 17 6.739 10.300 9.033 1.00 0.00 N ATOM 258 CA ASP A 17 7.029 9.342 10.090 1.00 0.00 C ATOM 259 C ASP A 17 6.537 7.937 9.726 1.00 0.00 C ATOM 260 O ASP A 17 6.569 7.048 10.576 1.00 0.00 O ATOM 261 CB ASP A 17 6.379 9.800 11.397 1.00 0.00 C ATOM 262 CG ASP A 17 6.878 11.171 11.843 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.964 11.217 12.466 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.174 12.166 11.558 1.00 0.00 O ATOM 0 H ASP A 17 5.834 10.150 8.586 1.00 0.00 H new ATOM 0 HA ASP A 17 8.111 9.295 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.297 9.833 11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.586 9.069 12.179 1.00 0.00 H new ATOM 269 N ILE A 18 6.078 7.718 8.487 1.00 0.00 N ATOM 270 CA ILE A 18 5.598 6.405 8.073 1.00 0.00 C ATOM 271 C ILE A 18 6.245 6.001 6.749 1.00 0.00 C ATOM 272 O ILE A 18 6.532 6.842 5.897 1.00 0.00 O ATOM 273 CB ILE A 18 4.066 6.396 7.965 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.381 6.790 9.283 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.581 4.998 7.572 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.117 8.297 9.359 1.00 0.00 C ATOM 0 H ILE A 18 6.031 8.433 7.761 1.00 0.00 H new ATOM 0 HA ILE A 18 5.882 5.674 8.830 1.00 0.00 H new ATOM 0 HB ILE A 18 3.800 7.132 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.439 6.251 9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.007 6.488 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.494 4.998 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.011 4.721 6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.892 4.279 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.632 8.534 10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.062 8.836 9.291 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.469 8.595 8.535 1.00 0.00 H new ATOM 288 N THR A 19 6.471 4.697 6.585 1.00 0.00 N ATOM 289 CA THR A 19 7.062 4.112 5.391 1.00 0.00 C ATOM 290 C THR A 19 6.347 2.800 5.087 1.00 0.00 C ATOM 291 O THR A 19 5.804 2.163 5.989 1.00 0.00 O ATOM 292 CB THR A 19 8.558 3.875 5.626 1.00 0.00 C ATOM 293 OG1 THR A 19 9.182 5.078 6.017 1.00 0.00 O ATOM 294 CG2 THR A 19 9.263 3.360 4.372 1.00 0.00 C ATOM 0 H THR A 19 6.241 4.006 7.299 1.00 0.00 H new ATOM 0 HA THR A 19 6.951 4.785 4.541 1.00 0.00 H new ATOM 0 HB THR A 19 8.639 3.121 6.409 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.137 4.918 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.321 3.207 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.814 2.415 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.158 4.090 3.570 1.00 0.00 H new ATOM 302 N ILE A 20 6.350 2.400 3.815 1.00 0.00 N ATOM 303 CA ILE A 20 5.688 1.195 3.335 1.00 0.00 C ATOM 304 C ILE A 20 6.616 0.501 2.342 1.00 0.00 C ATOM 305 O ILE A 20 7.352 1.167 1.617 1.00 0.00 O ATOM 306 CB ILE A 20 4.374 1.587 2.635 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.428 2.405 3.529 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.649 0.350 2.101 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.830 1.596 4.676 1.00 0.00 C ATOM 0 H ILE A 20 6.824 2.919 3.076 1.00 0.00 H new ATOM 0 HA ILE A 20 5.464 0.524 4.165 1.00 0.00 H new ATOM 0 HB ILE A 20 4.660 2.230 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.972 3.256 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.620 2.808 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.724 0.654 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.288 -0.165 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.418 -0.322 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.173 2.234 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.258 0.760 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.631 1.215 5.309 1.00 0.00 H new ATOM 321 N THR A 21 6.588 -0.834 2.296 1.00 0.00 N ATOM 322 CA THR A 21 7.385 -1.597 1.346 1.00 0.00 C ATOM 323 C THR A 21 6.577 -2.780 0.835 1.00 0.00 C ATOM 324 O THR A 21 6.036 -3.547 1.628 1.00 0.00 O ATOM 325 CB THR A 21 8.666 -2.092 2.029 1.00 0.00 C ATOM 326 OG1 THR A 21 9.360 -1.004 2.602 1.00 0.00 O ATOM 327 CG2 THR A 21 9.594 -2.783 1.033 1.00 0.00 C ATOM 0 H THR A 21 6.015 -1.408 2.914 1.00 0.00 H new ATOM 0 HA THR A 21 7.654 -0.960 0.504 1.00 0.00 H new ATOM 0 HB THR A 21 8.372 -2.805 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.176 -1.329 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.493 -3.122 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.083 -3.639 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.870 -2.081 0.246 1.00 0.00 H new ATOM 335 N ILE A 22 6.495 -2.928 -0.488 1.00 0.00 N ATOM 336 CA ILE A 22 5.805 -4.048 -1.112 1.00 0.00 C ATOM 337 C ILE A 22 6.754 -5.247 -1.097 1.00 0.00 C ATOM 338 O ILE A 22 7.633 -5.373 -1.947 1.00 0.00 O ATOM 339 CB ILE A 22 5.306 -3.650 -2.511 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.836 -4.866 -3.311 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.369 -2.919 -3.327 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.707 -5.594 -2.602 1.00 0.00 C ATOM 0 H ILE A 22 6.906 -2.273 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 22 4.908 -4.332 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 22 4.468 -2.975 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.502 -4.547 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.672 -5.549 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.963 -2.662 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.665 -2.009 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.238 -3.564 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.397 -6.453 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.051 -5.935 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.862 -4.918 -2.473 1.00 0.00 H new ATOM 354 N LEU A 23 6.576 -6.130 -0.111 1.00 0.00 N ATOM 355 CA LEU A 23 7.512 -7.217 0.146 1.00 0.00 C ATOM 356 C LEU A 23 7.427 -8.329 -0.899 1.00 0.00 C ATOM 357 O LEU A 23 8.398 -9.062 -1.087 1.00 0.00 O ATOM 358 CB LEU A 23 7.249 -7.790 1.542 1.00 0.00 C ATOM 359 CG LEU A 23 7.123 -6.703 2.616 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.982 -7.347 3.989 1.00 0.00 C ATOM 361 CD2 LEU A 23 8.338 -5.786 2.665 1.00 0.00 C ATOM 0 H LEU A 23 5.781 -6.108 0.527 1.00 0.00 H new ATOM 0 HA LEU A 23 8.519 -6.805 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.333 -8.381 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.060 -8.467 1.810 1.00 0.00 H new ATOM 0 HG LEU A 23 6.245 -6.112 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.893 -6.570 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.091 -7.975 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.861 -7.958 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.196 -5.035 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.229 -6.374 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.460 -5.292 1.701 1.00 0.00 H new ATOM 373 N GLY A 24 6.287 -8.472 -1.580 1.00 0.00 N ATOM 374 CA GLY A 24 6.158 -9.475 -2.627 1.00 0.00 C ATOM 375 C GLY A 24 4.713 -9.737 -3.037 1.00 0.00 C ATOM 376 O GLY A 24 3.792 -9.038 -2.608 1.00 0.00 O ATOM 0 H GLY A 24 5.451 -7.910 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.724 -9.152 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.606 -10.408 -2.284 1.00 0.00 H new ATOM 380 N VAL A 25 4.522 -10.752 -3.881 1.00 0.00 N ATOM 381 CA VAL A 25 3.240 -11.065 -4.497 1.00 0.00 C ATOM 382 C VAL A 25 3.065 -12.577 -4.635 1.00 0.00 C ATOM 383 O VAL A 25 4.037 -13.301 -4.860 1.00 0.00 O ATOM 384 CB VAL A 25 3.179 -10.354 -5.858 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.335 -10.750 -6.778 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.864 -10.622 -6.582 1.00 0.00 C ATOM 0 H VAL A 25 5.270 -11.388 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 25 2.419 -10.713 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 25 3.258 -9.291 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.244 -10.219 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.282 -10.489 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.304 -11.824 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.863 -10.101 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.754 -11.693 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.034 -10.264 -5.973 1.00 0.00 H new ATOM 396 N SER A 26 1.819 -13.046 -4.499 1.00 0.00 N ATOM 397 CA SER A 26 1.466 -14.459 -4.558 1.00 0.00 C ATOM 398 C SER A 26 0.040 -14.590 -5.083 1.00 0.00 C ATOM 399 O SER A 26 -0.903 -14.411 -4.319 1.00 0.00 O ATOM 400 CB SER A 26 1.541 -15.084 -3.162 1.00 0.00 C ATOM 401 OG SER A 26 2.830 -14.924 -2.605 1.00 0.00 O ATOM 0 H SER A 26 1.016 -12.437 -4.342 1.00 0.00 H new ATOM 0 HA SER A 26 2.164 -14.975 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.800 -14.620 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.295 -16.144 -3.220 1.00 0.00 H new ATOM 0 HG SER A 26 2.854 -15.329 -1.713 1.00 0.00 H new ATOM 407 N GLY A 27 -0.146 -14.899 -6.368 1.00 0.00 N ATOM 408 CA GLY A 27 -1.491 -14.938 -6.927 1.00 0.00 C ATOM 409 C GLY A 27 -2.105 -13.547 -6.835 1.00 0.00 C ATOM 410 O GLY A 27 -1.499 -12.583 -7.301 1.00 0.00 O ATOM 0 H GLY A 27 0.602 -15.121 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.458 -15.267 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.104 -15.657 -6.384 1.00 0.00 H new ATOM 414 N GLN A 28 -3.298 -13.430 -6.241 1.00 0.00 N ATOM 415 CA GLN A 28 -3.895 -12.118 -6.045 1.00 0.00 C ATOM 416 C GLN A 28 -3.453 -11.558 -4.703 1.00 0.00 C ATOM 417 O GLN A 28 -3.702 -10.388 -4.421 1.00 0.00 O ATOM 418 CB GLN A 28 -5.421 -12.169 -6.073 1.00 0.00 C ATOM 419 CG GLN A 28 -5.972 -12.599 -7.427 1.00 0.00 C ATOM 420 CD GLN A 28 -5.428 -11.756 -8.578 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.389 -12.067 -9.147 1.00 0.00 O ATOM 422 NE2 GLN A 28 -6.127 -10.678 -8.929 1.00 0.00 N ATOM 0 H GLN A 28 -3.854 -14.213 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.560 -11.482 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.771 -12.861 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.818 -11.186 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.724 -13.646 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.060 -12.527 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.989 -10.446 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.801 -10.085 -9.692 1.00 0.00 H new ATOM 431 N GLN A 29 -2.803 -12.393 -3.886 1.00 0.00 N ATOM 432 CA GLN A 29 -2.322 -12.003 -2.577 1.00 0.00 C ATOM 433 C GLN A 29 -1.098 -11.120 -2.758 1.00 0.00 C ATOM 434 O GLN A 29 -0.369 -11.248 -3.740 1.00 0.00 O ATOM 435 CB GLN A 29 -1.928 -13.230 -1.743 1.00 0.00 C ATOM 436 CG GLN A 29 -2.813 -14.463 -1.949 1.00 0.00 C ATOM 437 CD GLN A 29 -4.228 -14.235 -1.457 1.00 0.00 C ATOM 438 OE1 GLN A 29 -5.184 -14.316 -2.221 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.363 -13.944 -0.169 1.00 0.00 N ATOM 0 H GLN A 29 -2.599 -13.363 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.117 -11.471 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.898 -13.497 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.951 -12.957 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.835 -14.721 -3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.379 -15.313 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.539 -13.887 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.290 -13.777 0.222 1.00 0.00 H new ATOM 448 N VAL A 30 -0.870 -10.220 -1.803 1.00 0.00 N ATOM 449 CA VAL A 30 0.223 -9.275 -1.877 1.00 0.00 C ATOM 450 C VAL A 30 0.719 -9.014 -0.458 1.00 0.00 C ATOM 451 O VAL A 30 -0.015 -8.459 0.363 1.00 0.00 O ATOM 452 CB VAL A 30 -0.284 -7.984 -2.529 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.843 -6.976 -2.685 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.851 -8.228 -3.929 1.00 0.00 C ATOM 0 H VAL A 30 -1.440 -10.132 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 30 1.045 -9.664 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.065 -7.607 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.458 -6.069 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.254 -6.735 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.627 -7.401 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.198 -7.285 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.074 -8.647 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.686 -8.926 -3.867 1.00 0.00 H new ATOM 464 N ARG A 31 1.963 -9.415 -0.166 1.00 0.00 N ATOM 465 CA ARG A 31 2.547 -9.196 1.151 1.00 0.00 C ATOM 466 C ARG A 31 3.180 -7.815 1.175 1.00 0.00 C ATOM 467 O ARG A 31 3.957 -7.467 0.285 1.00 0.00 O ATOM 468 CB ARG A 31 3.575 -10.285 1.489 1.00 0.00 C ATOM 469 CG ARG A 31 4.125 -10.046 2.901 1.00 0.00 C ATOM 470 CD ARG A 31 4.940 -11.229 3.425 1.00 0.00 C ATOM 471 NE ARG A 31 4.064 -12.375 3.674 1.00 0.00 N ATOM 472 CZ ARG A 31 4.418 -13.482 4.329 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.653 -13.653 4.798 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.513 -14.435 4.514 1.00 0.00 N ATOM 0 H ARG A 31 2.578 -9.891 -0.826 1.00 0.00 H new ATOM 0 HA ARG A 31 1.767 -9.252 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.111 -11.270 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.388 -10.271 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.750 -9.153 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.296 -9.851 3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.708 -11.500 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.453 -10.948 4.344 1.00 0.00 H new ATOM 0 HE ARG A 31 3.109 -12.323 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.356 -12.927 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.896 -14.510 5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.565 -14.314 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.766 -15.288 5.012 1.00 0.00 H new ATOM 488 N ILE A 32 2.843 -7.028 2.194 1.00 0.00 N ATOM 489 CA ILE A 32 3.298 -5.653 2.300 1.00 0.00 C ATOM 490 C ILE A 32 3.735 -5.372 3.734 1.00 0.00 C ATOM 491 O ILE A 32 3.204 -5.971 4.669 1.00 0.00 O ATOM 492 CB ILE A 32 2.173 -4.692 1.882 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.357 -5.260 0.709 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.779 -3.323 1.549 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.589 -4.190 -0.067 1.00 0.00 C ATOM 0 H ILE A 32 2.248 -7.329 2.966 1.00 0.00 H new ATOM 0 HA ILE A 32 4.147 -5.499 1.634 1.00 0.00 H new ATOM 0 HB ILE A 32 1.475 -4.573 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.029 -5.782 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.652 -5.999 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.986 -2.637 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.290 -2.928 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.492 -3.430 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.035 -4.658 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.107 -3.684 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.291 -3.464 -0.477 1.00 0.00 H new ATOM 507 N GLY A 33 4.697 -4.467 3.908 1.00 0.00 N ATOM 508 CA GLY A 33 5.211 -4.108 5.217 1.00 0.00 C ATOM 509 C GLY A 33 4.883 -2.657 5.533 1.00 0.00 C ATOM 510 O GLY A 33 4.671 -1.847 4.628 1.00 0.00 O ATOM 0 H GLY A 33 5.139 -3.964 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.778 -4.759 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.290 -4.258 5.245 1.00 0.00 H new ATOM 514 N ILE A 34 4.843 -2.333 6.825 1.00 0.00 N ATOM 515 CA ILE A 34 4.537 -0.995 7.303 1.00 0.00 C ATOM 516 C ILE A 34 5.524 -0.650 8.406 1.00 0.00 C ATOM 517 O ILE A 34 5.917 -1.515 9.186 1.00 0.00 O ATOM 518 CB ILE A 34 3.094 -0.944 7.829 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.112 -1.445 6.759 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.736 0.486 8.249 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.669 -1.496 7.267 1.00 0.00 C ATOM 0 H ILE A 34 5.025 -3.002 7.573 1.00 0.00 H new ATOM 0 HA ILE A 34 4.624 -0.271 6.493 1.00 0.00 H new ATOM 0 HB ILE A 34 3.019 -1.596 8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.164 -0.792 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.414 -2.440 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.711 0.511 8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.415 0.815 9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.827 1.151 7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.016 -1.857 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.608 -2.170 8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.354 -0.497 7.570 1.00 0.00 H new ATOM 533 N ASN A 35 5.922 0.617 8.468 1.00 0.00 N ATOM 534 CA ASN A 35 6.898 1.067 9.443 1.00 0.00 C ATOM 535 C ASN A 35 6.512 2.455 9.941 1.00 0.00 C ATOM 536 O ASN A 35 6.602 3.437 9.204 1.00 0.00 O ATOM 537 CB ASN A 35 8.279 1.058 8.785 1.00 0.00 C ATOM 538 CG ASN A 35 9.410 1.218 9.790 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.227 1.770 10.873 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.592 0.730 9.433 1.00 0.00 N ATOM 0 H ASN A 35 5.579 1.351 7.849 1.00 0.00 H new ATOM 0 HA ASN A 35 6.924 0.404 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.412 0.123 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.333 1.863 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.388 0.807 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.704 0.279 8.525 1.00 0.00 H new ATOM 547 N ALA A 36 6.080 2.523 11.200 1.00 0.00 N ATOM 548 CA ALA A 36 5.648 3.756 11.837 1.00 0.00 C ATOM 549 C ALA A 36 5.904 3.659 13.341 1.00 0.00 C ATOM 550 O ALA A 36 6.044 2.552 13.867 1.00 0.00 O ATOM 551 CB ALA A 36 4.154 3.935 11.573 1.00 0.00 C ATOM 0 H ALA A 36 6.021 1.708 11.811 1.00 0.00 H new ATOM 0 HA ALA A 36 6.198 4.608 11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.809 4.856 12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.978 3.988 10.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.607 3.089 11.989 1.00 0.00 H new ATOM 557 N PRO A 37 5.966 4.792 14.044 1.00 0.00 N ATOM 558 CA PRO A 37 6.086 4.817 15.493 1.00 0.00 C ATOM 559 C PRO A 37 4.823 4.250 16.138 1.00 0.00 C ATOM 560 O PRO A 37 3.742 4.310 15.555 1.00 0.00 O ATOM 561 CB PRO A 37 6.274 6.292 15.854 1.00 0.00 C ATOM 562 CG PRO A 37 5.666 7.056 14.676 1.00 0.00 C ATOM 563 CD PRO A 37 5.921 6.133 13.491 1.00 0.00 C ATOM 0 HA PRO A 37 6.917 4.209 15.850 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.771 6.539 16.789 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.328 6.537 15.985 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.601 7.239 14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.141 8.028 14.539 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.130 6.224 12.746 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.858 6.384 12.993 1.00 0.00 H new ATOM 571 N LYS A 38 4.946 3.699 17.348 1.00 0.00 N ATOM 572 CA LYS A 38 3.789 3.192 18.081 1.00 0.00 C ATOM 573 C LYS A 38 2.906 4.347 18.557 1.00 0.00 C ATOM 574 O LYS A 38 1.866 4.122 19.174 1.00 0.00 O ATOM 575 CB LYS A 38 4.249 2.313 19.247 1.00 0.00 C ATOM 576 CG LYS A 38 4.907 1.028 18.730 1.00 0.00 C ATOM 577 CD LYS A 38 3.920 0.079 18.045 1.00 0.00 C ATOM 578 CE LYS A 38 3.327 -0.945 19.013 1.00 0.00 C ATOM 579 NZ LYS A 38 2.471 -0.317 20.039 1.00 0.00 N ATOM 0 H LYS A 38 5.834 3.594 17.838 1.00 0.00 H new ATOM 0 HA LYS A 38 3.187 2.575 17.414 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.955 2.864 19.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.397 2.062 19.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.697 1.290 18.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.381 0.509 19.563 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.114 0.660 17.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.426 -0.443 17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.743 -1.675 18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.135 -1.490 19.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.872 -1.042 20.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.068 0.130 20.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.868 0.405 19.594 1.00 0.00 H new ATOM 593 N ASP A 39 3.329 5.580 18.264 1.00 0.00 N ATOM 594 CA ASP A 39 2.532 6.779 18.479 1.00 0.00 C ATOM 595 C ASP A 39 1.345 6.822 17.513 1.00 0.00 C ATOM 596 O ASP A 39 0.482 7.690 17.630 1.00 0.00 O ATOM 597 CB ASP A 39 3.411 8.014 18.277 1.00 0.00 C ATOM 598 CG ASP A 39 4.443 8.153 19.390 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.079 8.719 20.445 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.588 7.696 19.178 1.00 0.00 O ATOM 0 H ASP A 39 4.248 5.770 17.865 1.00 0.00 H new ATOM 0 HA ASP A 39 2.144 6.766 19.498 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.919 7.947 17.315 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.785 8.906 18.246 1.00 0.00 H new ATOM 605 N VAL A 40 1.302 5.882 16.559 1.00 0.00 N ATOM 606 CA VAL A 40 0.213 5.740 15.601 1.00 0.00 C ATOM 607 C VAL A 40 -0.118 4.254 15.460 1.00 0.00 C ATOM 608 O VAL A 40 0.630 3.404 15.950 1.00 0.00 O ATOM 609 CB VAL A 40 0.573 6.369 14.246 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.992 7.830 14.411 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.726 5.637 13.563 1.00 0.00 C ATOM 0 H VAL A 40 2.040 5.189 16.435 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.665 6.274 15.964 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.325 6.293 13.633 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.241 8.249 13.436 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.171 8.396 14.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.863 7.887 15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.946 6.116 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.609 5.675 14.200 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.446 4.598 13.391 1.00 0.00 H new ATOM 621 N ALA A 41 -1.227 3.923 14.799 1.00 0.00 N ATOM 622 CA ALA A 41 -1.704 2.549 14.756 1.00 0.00 C ATOM 623 C ALA A 41 -1.891 2.052 13.327 1.00 0.00 C ATOM 624 O ALA A 41 -1.997 2.847 12.393 1.00 0.00 O ATOM 625 CB ALA A 41 -3.012 2.464 15.540 1.00 0.00 C ATOM 0 H ALA A 41 -1.808 4.588 14.289 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.954 1.901 15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.384 1.440 15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.837 2.764 16.573 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.750 3.128 15.089 1.00 0.00 H new ATOM 631 N VAL A 42 -1.932 0.725 13.161 1.00 0.00 N ATOM 632 CA VAL A 42 -2.135 0.092 11.865 1.00 0.00 C ATOM 633 C VAL A 42 -2.942 -1.190 12.060 1.00 0.00 C ATOM 634 O VAL A 42 -2.641 -1.972 12.958 1.00 0.00 O ATOM 635 CB VAL A 42 -0.787 -0.225 11.194 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.126 1.002 11.139 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.005 -1.319 11.919 1.00 0.00 C ATOM 0 H VAL A 42 -1.824 0.062 13.929 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.680 0.776 11.214 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.053 -0.559 10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.067 0.734 10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.361 1.793 10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.324 1.354 12.151 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.936 -1.499 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.200 -1.003 12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.592 -2.237 11.934 1.00 0.00 H new ATOM 647 N HIS A 43 -3.967 -1.419 11.232 1.00 0.00 N ATOM 648 CA HIS A 43 -4.739 -2.657 11.291 1.00 0.00 C ATOM 649 C HIS A 43 -5.416 -2.924 9.951 1.00 0.00 C ATOM 650 O HIS A 43 -5.514 -2.024 9.115 1.00 0.00 O ATOM 651 CB HIS A 43 -5.835 -2.590 12.369 1.00 0.00 C ATOM 652 CG HIS A 43 -5.449 -1.894 13.649 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.904 -2.522 14.773 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.583 -0.558 13.903 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.719 -1.543 15.673 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.117 -0.356 15.178 1.00 0.00 N ATOM 0 H HIS A 43 -4.278 -0.763 10.516 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.039 -3.456 11.535 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.703 -2.082 11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.146 -3.607 12.609 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.692 -3.513 14.885 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.978 0.191 13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.307 -1.688 16.661 1.00 0.00 H new ATOM 664 N ARG A 44 -5.882 -4.158 9.738 1.00 0.00 N ATOM 665 CA ARG A 44 -6.685 -4.465 8.564 1.00 0.00 C ATOM 666 C ARG A 44 -8.028 -3.753 8.693 1.00 0.00 C ATOM 667 O ARG A 44 -8.484 -3.480 9.804 1.00 0.00 O ATOM 668 CB ARG A 44 -6.824 -5.986 8.411 1.00 0.00 C ATOM 669 CG ARG A 44 -7.662 -6.352 7.180 1.00 0.00 C ATOM 670 CD ARG A 44 -7.456 -7.810 6.759 1.00 0.00 C ATOM 671 NE ARG A 44 -7.851 -8.764 7.801 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.179 -10.042 7.560 1.00 0.00 C ATOM 673 NH1 ARG A 44 -8.186 -10.518 6.320 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.503 -10.852 8.562 1.00 0.00 N ATOM 0 H ARG A 44 -5.716 -4.950 10.360 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.204 -4.105 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.835 -6.436 8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.288 -6.402 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.717 -6.183 7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.397 -5.695 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.032 -8.007 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.407 -7.966 6.509 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.878 -8.436 8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.940 -9.910 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.437 -11.492 6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.503 -10.503 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.752 -11.823 8.373 1.00 0.00 H new ATOM 688 N GLU A 45 -8.667 -3.448 7.562 1.00 0.00 N ATOM 689 CA GLU A 45 -9.899 -2.671 7.533 1.00 0.00 C ATOM 690 C GLU A 45 -11.020 -3.310 8.365 1.00 0.00 C ATOM 691 O GLU A 45 -11.932 -2.609 8.802 1.00 0.00 O ATOM 692 CB GLU A 45 -10.290 -2.458 6.067 1.00 0.00 C ATOM 693 CG GLU A 45 -11.537 -1.587 5.882 1.00 0.00 C ATOM 694 CD GLU A 45 -12.847 -2.380 5.857 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.802 -3.617 6.027 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.901 -1.731 5.662 1.00 0.00 O ATOM 0 H GLU A 45 -8.340 -3.736 6.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.732 -1.703 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.454 -1.997 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.463 -3.428 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.581 -0.856 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.444 -1.028 4.951 1.00 0.00 H new ATOM 703 N GLU A 46 -10.969 -4.625 8.591 1.00 0.00 N ATOM 704 CA GLU A 46 -11.963 -5.293 9.422 1.00 0.00 C ATOM 705 C GLU A 46 -11.728 -4.969 10.898 1.00 0.00 C ATOM 706 O GLU A 46 -12.671 -4.681 11.633 1.00 0.00 O ATOM 707 CB GLU A 46 -11.860 -6.807 9.203 1.00 0.00 C ATOM 708 CG GLU A 46 -12.969 -7.541 9.961 1.00 0.00 C ATOM 709 CD GLU A 46 -12.932 -9.038 9.670 1.00 0.00 C ATOM 710 OE1 GLU A 46 -12.144 -9.740 10.345 1.00 0.00 O ATOM 711 OE2 GLU A 46 -13.693 -9.474 8.775 1.00 0.00 O ATOM 0 H GLU A 46 -10.252 -5.242 8.210 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.957 -4.943 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.931 -7.031 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.886 -7.163 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.856 -7.372 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.940 -7.135 9.675 1.00 0.00 H new ATOM 718 N ILE A 47 -10.466 -5.018 11.326 1.00 0.00 N ATOM 719 CA ILE A 47 -10.097 -4.815 12.721 1.00 0.00 C ATOM 720 C ILE A 47 -10.248 -3.345 13.091 1.00 0.00 C ATOM 721 O ILE A 47 -10.546 -3.005 14.232 1.00 0.00 O ATOM 722 CB ILE A 47 -8.637 -5.245 12.925 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.305 -6.575 12.239 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.324 -5.336 14.419 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.276 -7.691 12.614 1.00 0.00 C ATOM 0 H ILE A 47 -9.672 -5.200 10.712 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.751 -5.412 13.357 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.013 -4.483 12.458 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.319 -6.435 11.158 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.292 -6.875 12.508 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.287 -5.642 14.555 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.480 -4.362 14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.982 -6.069 14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.992 -8.609 12.099 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.244 -7.855 13.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.287 -7.408 12.320 1.00 0.00 H new ATOM 737 N TYR A 48 -10.031 -2.470 12.109 1.00 0.00 N ATOM 738 CA TYR A 48 -10.071 -1.032 12.292 1.00 0.00 C ATOM 739 C TYR A 48 -11.443 -0.558 12.768 1.00 0.00 C ATOM 740 O TYR A 48 -11.533 0.379 13.558 1.00 0.00 O ATOM 741 CB TYR A 48 -9.707 -0.412 10.948 1.00 0.00 C ATOM 742 CG TYR A 48 -9.637 1.096 10.932 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.576 1.758 11.565 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.624 1.832 10.267 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.472 3.154 11.492 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.522 3.226 10.174 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.433 3.893 10.773 1.00 0.00 C ATOM 748 OH TYR A 48 -9.315 5.247 10.659 1.00 0.00 O ATOM 0 H TYR A 48 -9.820 -2.752 11.152 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.368 -0.726 13.067 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.741 -0.808 10.633 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.440 -0.733 10.208 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.836 1.191 12.111 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.467 1.323 9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.657 3.662 11.986 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.276 3.789 9.644 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.062 5.597 10.130 1.00 0.00 H new ATOM 1601 N MET C 1 8.626 -3.219 11.970 1.00 0.00 N ATOM 1602 CA MET C 1 7.762 -3.461 10.800 1.00 0.00 C ATOM 1603 C MET C 1 6.509 -4.224 11.203 1.00 0.00 C ATOM 1604 O MET C 1 6.576 -5.120 12.043 1.00 0.00 O ATOM 1605 CB MET C 1 8.503 -4.292 9.746 1.00 0.00 C ATOM 1606 CG MET C 1 7.711 -4.447 8.448 1.00 0.00 C ATOM 1607 SD MET C 1 8.188 -3.317 7.129 1.00 0.00 S ATOM 1608 CE MET C 1 9.557 -4.330 6.538 1.00 0.00 C ATOM 0 H1 MET C 1 9.613 -3.433 11.723 1.00 0.00 H new ATOM 0 H2 MET C 1 8.549 -2.223 12.258 1.00 0.00 H new ATOM 0 H3 MET C 1 8.326 -3.831 12.756 1.00 0.00 H new ATOM 0 HA MET C 1 7.490 -2.488 10.390 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.461 -3.821 9.527 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.719 -5.279 10.154 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.826 -5.470 8.089 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.653 -4.302 8.666 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.037 -3.836 5.693 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.283 -4.465 7.340 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.180 -5.303 6.223 1.00 0.00 H new ATOM 1620 N LEU C 2 5.372 -3.876 10.600 1.00 0.00 N ATOM 1621 CA LEU C 2 4.149 -4.649 10.713 1.00 0.00 C ATOM 1622 C LEU C 2 3.785 -5.082 9.299 1.00 0.00 C ATOM 1623 O LEU C 2 3.322 -4.278 8.491 1.00 0.00 O ATOM 1624 CB LEU C 2 3.055 -3.835 11.409 1.00 0.00 C ATOM 1625 CG LEU C 2 1.726 -4.588 11.605 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.806 -4.406 10.403 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.904 -6.089 11.848 1.00 0.00 C ATOM 0 H LEU C 2 5.280 -3.044 10.017 1.00 0.00 H new ATOM 0 HA LEU C 2 4.275 -5.533 11.338 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.423 -3.514 12.383 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.865 -2.933 10.827 1.00 0.00 H new ATOM 0 HG LEU C 2 1.282 -4.149 12.499 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.124 -4.949 10.571 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.588 -3.346 10.269 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.295 -4.792 9.509 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.927 -6.555 11.977 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.410 -6.538 10.994 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.502 -6.244 12.746 1.00 0.00 H new ATOM 1639 N ILE C 3 4.001 -6.364 9.016 1.00 0.00 N ATOM 1640 CA ILE C 3 3.741 -6.950 7.720 1.00 0.00 C ATOM 1641 C ILE C 3 2.322 -7.494 7.706 1.00 0.00 C ATOM 1642 O ILE C 3 1.794 -7.905 8.737 1.00 0.00 O ATOM 1643 CB ILE C 3 4.742 -8.083 7.450 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.176 -7.552 7.359 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.441 -8.787 6.129 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.833 -7.536 8.732 1.00 0.00 C ATOM 0 H ILE C 3 4.368 -7.029 9.697 1.00 0.00 H new ATOM 0 HA ILE C 3 3.853 -6.195 6.942 1.00 0.00 H new ATOM 0 HB ILE C 3 4.645 -8.778 8.284 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.757 -8.175 6.680 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.170 -6.545 6.942 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.167 -9.583 5.967 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.438 -9.212 6.164 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.503 -8.069 5.312 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.851 -7.155 8.644 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.262 -6.893 9.401 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.858 -8.548 9.135 1.00 0.00 H new ATOM 1658 N LEU C 4 1.718 -7.488 6.522 1.00 0.00 N ATOM 1659 CA LEU C 4 0.425 -8.084 6.268 1.00 0.00 C ATOM 1660 C LEU C 4 0.456 -8.696 4.881 1.00 0.00 C ATOM 1661 O LEU C 4 1.375 -8.454 4.103 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.684 -7.033 6.278 1.00 0.00 C ATOM 1663 CG LEU C 4 -1.063 -6.489 7.654 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -2.284 -5.615 7.397 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.457 -7.589 8.642 1.00 0.00 C ATOM 0 H LEU C 4 2.131 -7.055 5.696 1.00 0.00 H new ATOM 0 HA LEU C 4 0.225 -8.822 7.045 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -0.375 -6.198 5.649 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -1.574 -7.465 5.820 1.00 0.00 H new ATOM 0 HG LEU C 4 -0.216 -5.965 8.097 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -2.625 -5.181 8.337 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -2.020 -4.817 6.703 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -3.081 -6.221 6.967 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.716 -7.141 9.601 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.316 -8.136 8.254 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -0.620 -8.275 8.776 1.00 0.00 H new ATOM 1677 N THR C 5 -0.564 -9.491 4.577 1.00 0.00 N ATOM 1678 CA THR C 5 -0.731 -10.088 3.275 1.00 0.00 C ATOM 1679 C THR C 5 -2.218 -10.153 2.977 1.00 0.00 C ATOM 1680 O THR C 5 -2.959 -10.899 3.617 1.00 0.00 O ATOM 1681 CB THR C 5 -0.110 -11.489 3.259 1.00 0.00 C ATOM 1682 OG1 THR C 5 1.207 -11.471 3.764 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.045 -11.983 1.826 1.00 0.00 C ATOM 0 H THR C 5 -1.300 -9.736 5.240 1.00 0.00 H new ATOM 0 HA THR C 5 -0.229 -9.493 2.512 1.00 0.00 H new ATOM 0 HB THR C 5 -0.727 -12.138 3.881 1.00 0.00 H new ATOM 0 HG1 THR C 5 1.354 -12.262 4.323 1.00 0.00 H new ATOM 0 HG21 THR C 5 0.396 -12.980 1.804 1.00 0.00 H new ATOM 0 HG22 THR C 5 -1.051 -12.022 1.409 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.567 -11.303 1.234 1.00 0.00 H new ATOM 1691 N ARG C 6 -2.656 -9.363 1.993 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.037 -9.411 1.529 1.00 0.00 C ATOM 1693 C ARG C 6 -4.095 -9.255 0.017 1.00 0.00 C ATOM 1694 O ARG C 6 -3.117 -8.844 -0.604 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.947 -8.410 2.266 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.266 -7.262 3.017 1.00 0.00 C ATOM 1697 CD ARG C 6 -4.534 -5.946 2.293 1.00 0.00 C ATOM 1698 NE ARG C 6 -4.016 -5.991 0.926 1.00 0.00 N ATOM 1699 CZ ARG C 6 -2.744 -5.747 0.616 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -1.878 -5.412 1.569 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -2.337 -5.838 -0.642 1.00 0.00 N ATOM 0 H ARG C 6 -2.071 -8.684 1.505 1.00 0.00 H new ATOM 0 HA ARG C 6 -4.436 -10.395 1.776 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -5.632 -7.977 1.537 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.553 -8.968 2.980 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.641 -7.209 4.039 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.193 -7.442 3.081 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.606 -5.748 2.274 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -4.067 -5.125 2.837 1.00 0.00 H new ATOM 0 HE ARG C 6 -4.662 -6.221 0.171 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -2.188 -5.342 2.538 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -0.904 -5.225 1.330 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -2.998 -6.095 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -1.362 -5.651 -0.878 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.244 -9.588 -0.576 1.00 0.00 N ATOM 1716 CA LYS C 7 -5.365 -9.692 -2.025 1.00 0.00 C ATOM 1717 C LYS C 7 -6.111 -8.513 -2.635 1.00 0.00 C ATOM 1718 O LYS C 7 -6.590 -7.640 -1.913 1.00 0.00 O ATOM 1719 CB LYS C 7 -6.039 -11.009 -2.419 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.461 -11.113 -1.874 1.00 0.00 C ATOM 1721 CD LYS C 7 -8.336 -11.922 -2.834 1.00 0.00 C ATOM 1722 CE LYS C 7 -7.749 -13.306 -3.104 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.580 -14.049 -4.066 1.00 0.00 N ATOM 0 H LYS C 7 -6.105 -9.790 -0.069 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.352 -9.675 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -6.061 -11.093 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -5.447 -11.844 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.449 -11.588 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -7.881 -10.116 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -9.336 -12.027 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -8.440 -11.381 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.736 -13.206 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -7.679 -13.864 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -8.162 -14.986 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -9.540 -14.162 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.626 -13.524 -4.963 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.205 -8.497 -3.971 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.811 -7.363 -4.660 1.00 0.00 C ATOM 1739 C VAL C 8 -8.206 -7.055 -4.120 1.00 0.00 C ATOM 1740 O VAL C 8 -8.970 -7.963 -3.795 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.852 -7.562 -6.174 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.447 -7.809 -6.701 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.753 -8.710 -6.624 1.00 0.00 C ATOM 0 H VAL C 8 -5.874 -9.244 -4.582 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.172 -6.503 -4.459 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.274 -6.644 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.483 -7.950 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.815 -6.952 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.034 -8.702 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.729 -8.787 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.399 -9.643 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.775 -8.520 -6.297 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.531 -5.763 -4.032 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.851 -5.294 -3.633 1.00 0.00 C ATOM 1755 C GLY C 9 -9.975 -5.075 -2.125 1.00 0.00 C ATOM 1756 O GLY C 9 -10.909 -4.404 -1.687 1.00 0.00 O ATOM 0 H GLY C 9 -7.876 -5.009 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.070 -4.360 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.600 -6.018 -3.952 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.058 -5.624 -1.320 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.088 -5.418 0.123 1.00 0.00 C ATOM 1762 C GLU C 10 -8.590 -4.018 0.492 1.00 0.00 C ATOM 1763 O GLU C 10 -8.176 -3.243 -0.370 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.267 -6.491 0.838 1.00 0.00 C ATOM 1765 CG GLU C 10 -8.927 -7.861 0.687 1.00 0.00 C ATOM 1766 CD GLU C 10 -8.269 -8.893 1.599 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -8.495 -8.807 2.831 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -7.548 -9.760 1.063 1.00 0.00 O ATOM 0 H GLU C 10 -8.291 -6.211 -1.647 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.124 -5.501 0.453 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.258 -6.520 0.426 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.173 -6.241 1.895 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.988 -7.785 0.925 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -8.856 -8.190 -0.350 1.00 0.00 H new ATOM 1775 N SER C 11 -8.636 -3.701 1.790 1.00 0.00 N ATOM 1776 CA SER C 11 -8.282 -2.386 2.305 1.00 0.00 C ATOM 1777 C SER C 11 -7.597 -2.512 3.661 1.00 0.00 C ATOM 1778 O SER C 11 -7.740 -3.528 4.340 1.00 0.00 O ATOM 1779 CB SER C 11 -9.537 -1.524 2.450 1.00 0.00 C ATOM 1780 OG SER C 11 -10.205 -1.405 1.212 1.00 0.00 O ATOM 0 H SER C 11 -8.923 -4.360 2.514 1.00 0.00 H new ATOM 0 HA SER C 11 -7.596 -1.915 1.601 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.205 -1.967 3.189 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.265 -0.535 2.819 1.00 0.00 H new ATOM 0 HG SER C 11 -11.006 -0.852 1.324 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.857 -1.470 4.044 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.059 -1.412 5.268 1.00 0.00 C ATOM 1788 C ILE C 12 -6.134 0.017 5.809 1.00 0.00 C ATOM 1789 O ILE C 12 -6.545 0.927 5.086 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.608 -1.819 4.932 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.541 -3.236 4.339 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.681 -1.747 6.150 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -4.961 -4.325 5.324 1.00 0.00 C ATOM 0 H ILE C 12 -6.795 -0.615 3.491 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.434 -2.097 6.029 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.264 -1.097 4.191 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.183 -3.285 3.459 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.523 -3.433 4.002 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.673 -2.043 5.858 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.663 -0.727 6.534 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.047 -2.420 6.926 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -4.890 -5.300 4.841 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -4.304 -4.302 6.193 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -5.989 -4.151 5.642 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.744 0.243 7.068 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.841 1.563 7.678 1.00 0.00 C ATOM 1807 C ASN C 13 -4.628 1.888 8.544 1.00 0.00 C ATOM 1808 O ASN C 13 -3.951 0.996 9.053 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.116 1.644 8.516 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.371 1.586 7.656 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -8.884 0.511 7.361 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.872 2.747 7.249 1.00 0.00 N ATOM 0 H ASN C 13 -5.358 -0.475 7.681 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.872 2.299 6.875 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.130 0.824 9.234 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.113 2.570 9.091 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.712 2.765 6.670 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.417 3.620 7.515 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.371 3.192 8.694 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.250 3.729 9.454 1.00 0.00 C ATOM 1821 C ILE C 14 -3.725 4.956 10.231 1.00 0.00 C ATOM 1822 O ILE C 14 -4.580 5.708 9.758 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.099 4.100 8.498 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.647 2.858 7.718 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.929 4.693 9.285 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.515 3.172 6.738 1.00 0.00 C ATOM 0 H ILE C 14 -4.955 3.917 8.277 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.880 2.981 10.156 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.453 4.849 7.790 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.317 2.091 8.419 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.495 2.446 7.171 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.122 4.951 8.599 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.260 5.590 9.809 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.569 3.962 10.009 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.229 2.263 6.209 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.853 3.919 6.019 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.344 3.559 7.286 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.171 5.158 11.430 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.563 6.264 12.290 1.00 0.00 C ATOM 1840 C GLY C 15 -5.071 6.242 12.515 1.00 0.00 C ATOM 1841 O GLY C 15 -5.658 5.182 12.732 1.00 0.00 O ATOM 0 H GLY C 15 -2.444 4.561 11.824 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -3.044 6.194 13.246 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.269 7.210 11.836 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.691 7.419 12.457 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.133 7.563 12.574 1.00 0.00 C ATOM 1847 C ASP C 16 -7.650 8.524 11.500 1.00 0.00 C ATOM 1848 O ASP C 16 -8.773 9.022 11.589 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.506 8.014 13.990 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.983 9.408 14.327 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -5.744 9.579 14.354 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -7.831 10.297 14.563 1.00 0.00 O ATOM 0 H ASP C 16 -5.200 8.303 12.326 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.614 6.599 12.407 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -8.591 8.003 14.095 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.109 7.299 14.710 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.825 8.783 10.477 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.164 9.664 9.366 1.00 0.00 C ATOM 1859 C ASP C 17 -6.611 9.147 8.036 1.00 0.00 C ATOM 1860 O ASP C 17 -6.662 9.870 7.041 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.624 11.076 9.620 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.252 11.743 10.838 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.444 12.118 10.740 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.540 11.880 11.858 1.00 0.00 O ATOM 0 H ASP C 17 -5.892 8.378 10.403 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.252 9.688 9.299 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.544 11.027 9.756 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.807 11.693 8.740 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.082 7.916 7.988 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.523 7.386 6.748 1.00 0.00 C ATOM 1871 C ILE C 18 -6.107 6.014 6.432 1.00 0.00 C ATOM 1872 O ILE C 18 -6.412 5.230 7.329 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.990 7.323 6.831 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.368 8.696 7.118 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.417 6.808 5.505 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.157 8.902 8.619 1.00 0.00 C ATOM 0 H ILE C 18 -6.032 7.281 8.784 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.793 8.061 5.936 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.745 6.650 7.652 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.414 8.782 6.598 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -4.016 9.481 6.728 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.330 6.766 5.570 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.807 5.811 5.303 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.706 7.481 4.698 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.715 9.883 8.793 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.116 8.840 9.133 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.489 8.130 9.002 1.00 0.00 H new ATOM 1888 N THR C 19 -6.256 5.739 5.135 1.00 0.00 N ATOM 1889 CA THR C 19 -6.748 4.472 4.620 1.00 0.00 C ATOM 1890 C THR C 19 -5.910 4.088 3.405 1.00 0.00 C ATOM 1891 O THR C 19 -5.340 4.957 2.742 1.00 0.00 O ATOM 1892 CB THR C 19 -8.233 4.604 4.249 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.973 5.048 5.364 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.825 3.273 3.785 1.00 0.00 C ATOM 0 H THR C 19 -6.031 6.411 4.401 1.00 0.00 H new ATOM 0 HA THR C 19 -6.661 3.692 5.376 1.00 0.00 H new ATOM 0 HB THR C 19 -8.294 5.323 3.432 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.918 5.131 5.118 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.876 3.411 3.532 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.284 2.921 2.907 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.737 2.537 4.585 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.839 2.789 3.116 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.052 2.235 2.023 1.00 0.00 C ATOM 1904 C ILE C 20 -5.905 1.182 1.324 1.00 0.00 C ATOM 1905 O ILE C 20 -6.703 0.509 1.974 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.779 1.592 2.597 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.919 2.577 3.403 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.942 0.966 1.478 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.296 3.672 2.535 1.00 0.00 C ATOM 0 H ILE C 20 -6.340 2.079 3.650 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.763 3.011 1.314 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.111 0.817 3.287 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.533 3.039 4.176 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.126 2.028 3.911 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.045 0.516 1.903 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.528 0.199 0.971 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.657 1.737 0.762 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.700 4.337 3.160 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.657 3.217 1.778 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.086 4.243 2.048 1.00 0.00 H new ATOM 1921 N THR C 21 -5.739 1.032 0.009 1.00 0.00 N ATOM 1922 CA THR C 21 -6.495 0.046 -0.747 1.00 0.00 C ATOM 1923 C THR C 21 -5.601 -0.592 -1.803 1.00 0.00 C ATOM 1924 O THR C 21 -4.824 0.093 -2.468 1.00 0.00 O ATOM 1925 CB THR C 21 -7.706 0.716 -1.409 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.396 1.522 -0.480 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.677 -0.331 -1.944 1.00 0.00 C ATOM 0 H THR C 21 -5.087 1.583 -0.550 1.00 0.00 H new ATOM 0 HA THR C 21 -6.850 -0.732 -0.071 1.00 0.00 H new ATOM 0 HB THR C 21 -7.332 1.328 -2.230 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.164 1.943 -0.919 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.528 0.166 -2.409 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.171 -0.952 -2.683 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.027 -0.956 -1.123 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.710 -1.911 -1.959 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.966 -2.665 -2.958 1.00 0.00 C ATOM 1937 C ILE C 22 -5.854 -2.775 -4.194 1.00 0.00 C ATOM 1938 O ILE C 22 -6.699 -3.666 -4.299 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.533 -4.015 -2.370 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -4.007 -4.986 -3.430 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.670 -4.700 -1.607 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.796 -4.412 -4.154 1.00 0.00 C ATOM 0 H ILE C 22 -6.325 -2.489 -1.387 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.041 -2.170 -3.254 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.722 -3.774 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.737 -5.931 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.795 -5.203 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.319 -5.652 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.995 -4.060 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.507 -4.876 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.446 -5.125 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.074 -3.480 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.000 -4.219 -3.435 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.668 -1.857 -5.143 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.588 -1.721 -6.260 1.00 0.00 C ATOM 1956 C LEU C 23 -6.457 -2.877 -7.247 1.00 0.00 C ATOM 1957 O LEU C 23 -7.412 -3.179 -7.962 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.348 -0.391 -6.975 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.275 0.782 -5.993 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.238 2.082 -6.780 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.479 0.850 -5.060 1.00 0.00 C ATOM 0 H LEU C 23 -4.888 -1.200 -5.156 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.602 -1.743 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.419 -0.447 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.150 -0.215 -7.692 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.379 0.634 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.186 2.924 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.362 2.090 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.140 2.166 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.371 1.701 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.389 0.966 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.539 -0.068 -4.476 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.290 -3.524 -7.289 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.107 -4.691 -8.133 1.00 0.00 C ATOM 1975 C GLY C 24 -3.648 -5.117 -8.228 1.00 0.00 C ATOM 1976 O GLY C 24 -2.764 -4.491 -7.642 1.00 0.00 O ATOM 0 H GLY C 24 -4.467 -3.256 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.699 -5.517 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.486 -4.476 -9.132 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.409 -6.196 -8.976 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.073 -6.730 -9.193 1.00 0.00 C ATOM 1982 C VAL C 25 -1.884 -7.052 -10.673 1.00 0.00 C ATOM 1983 O VAL C 25 -2.836 -7.415 -11.365 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.856 -7.953 -8.292 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -2.867 -9.060 -8.581 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.462 -8.550 -8.456 1.00 0.00 C ATOM 0 H VAL C 25 -4.144 -6.723 -9.448 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.319 -5.990 -8.924 1.00 0.00 H new ATOM 0 HB VAL C 25 -1.983 -7.585 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -2.678 -9.907 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -3.876 -8.685 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.770 -9.379 -9.619 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.356 -9.413 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.319 -8.863 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.287 -7.802 -8.197 1.00 0.00 H new ATOM 1996 N SER C 26 -0.642 -6.917 -11.142 1.00 0.00 N ATOM 1997 CA SER C 26 -0.269 -7.081 -12.540 1.00 0.00 C ATOM 1998 C SER C 26 1.131 -7.683 -12.599 1.00 0.00 C ATOM 1999 O SER C 26 2.081 -7.032 -13.036 1.00 0.00 O ATOM 2000 CB SER C 26 -0.303 -5.733 -13.261 1.00 0.00 C ATOM 2001 OG SER C 26 -1.608 -5.191 -13.226 1.00 0.00 O ATOM 0 H SER C 26 0.149 -6.685 -10.541 1.00 0.00 H new ATOM 0 HA SER C 26 -0.977 -7.744 -13.038 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.397 -5.043 -12.790 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.019 -5.858 -14.295 1.00 0.00 H new ATOM 0 HG SER C 26 -1.616 -4.328 -13.689 1.00 0.00 H new ATOM 2007 N GLY C 27 1.262 -8.935 -12.153 1.00 0.00 N ATOM 2008 CA GLY C 27 2.551 -9.589 -12.107 1.00 0.00 C ATOM 2009 C GLY C 27 3.388 -8.973 -10.995 1.00 0.00 C ATOM 2010 O GLY C 27 2.886 -8.719 -9.900 1.00 0.00 O ATOM 0 H GLY C 27 0.485 -9.507 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.424 -10.657 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.061 -9.481 -13.064 1.00 0.00 H new ATOM 2014 N GLN C 28 4.668 -8.728 -11.271 1.00 0.00 N ATOM 2015 CA GLN C 28 5.550 -8.106 -10.297 1.00 0.00 C ATOM 2016 C GLN C 28 5.123 -6.669 -9.997 1.00 0.00 C ATOM 2017 O GLN C 28 5.617 -6.095 -9.031 1.00 0.00 O ATOM 2018 CB GLN C 28 6.997 -8.141 -10.803 1.00 0.00 C ATOM 2019 CG GLN C 28 7.645 -9.510 -10.558 1.00 0.00 C ATOM 2020 CD GLN C 28 6.748 -10.672 -10.971 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.566 -10.939 -12.157 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.177 -11.369 -9.994 1.00 0.00 N ATOM 0 H GLN C 28 5.113 -8.952 -12.161 1.00 0.00 H new ATOM 0 HA GLN C 28 5.483 -8.672 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN C 28 7.017 -7.913 -11.869 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.578 -7.367 -10.301 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.583 -9.567 -11.111 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.892 -9.606 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.351 -11.119 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.565 -12.154 -10.218 1.00 0.00 H new ATOM 2031 N GLN C 29 4.219 -6.077 -10.792 1.00 0.00 N ATOM 2032 CA GLN C 29 3.742 -4.735 -10.525 1.00 0.00 C ATOM 2033 C GLN C 29 2.416 -4.807 -9.783 1.00 0.00 C ATOM 2034 O GLN C 29 1.630 -5.732 -9.979 1.00 0.00 O ATOM 2035 CB GLN C 29 3.606 -3.957 -11.838 1.00 0.00 C ATOM 2036 CG GLN C 29 3.254 -2.500 -11.545 1.00 0.00 C ATOM 2037 CD GLN C 29 3.423 -1.615 -12.770 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.294 -0.749 -12.800 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.602 -1.828 -13.792 1.00 0.00 N ATOM 0 H GLN C 29 3.812 -6.514 -11.619 1.00 0.00 H new ATOM 0 HA GLN C 29 4.459 -4.206 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.539 -4.009 -12.400 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.833 -4.409 -12.460 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.224 -2.440 -11.194 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.888 -2.129 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.890 -2.556 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.683 -1.263 -14.638 1.00 0.00 H new ATOM 2048 N VAL C 30 2.174 -3.815 -8.930 1.00 0.00 N ATOM 2049 CA VAL C 30 0.966 -3.747 -8.128 1.00 0.00 C ATOM 2050 C VAL C 30 0.435 -2.321 -8.177 1.00 0.00 C ATOM 2051 O VAL C 30 1.226 -1.379 -8.182 1.00 0.00 O ATOM 2052 CB VAL C 30 1.327 -4.155 -6.689 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.081 -4.263 -5.817 1.00 0.00 C ATOM 2054 CG2 VAL C 30 2.026 -5.516 -6.661 1.00 0.00 C ATOM 0 H VAL C 30 2.815 -3.036 -8.779 1.00 0.00 H new ATOM 0 HA VAL C 30 0.194 -4.418 -8.505 1.00 0.00 H new ATOM 0 HB VAL C 30 1.990 -3.380 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.368 -4.553 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.427 -3.299 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.590 -5.014 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.269 -5.779 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.365 -6.273 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.942 -5.467 -7.249 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.894 -2.155 -8.216 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.502 -0.832 -8.220 1.00 0.00 C ATOM 2066 C ARG C 31 -2.171 -0.631 -6.873 1.00 0.00 C ATOM 2067 O ARG C 31 -2.966 -1.460 -6.430 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.492 -0.676 -9.379 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.767 0.814 -9.619 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.887 1.064 -10.635 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.640 0.376 -11.909 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.364 0.983 -13.070 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.238 2.303 -13.158 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.208 0.250 -14.170 1.00 0.00 N ATOM 0 H ARG C 31 -1.562 -2.925 -8.245 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.742 -0.066 -8.372 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.086 -1.132 -10.282 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.422 -1.196 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.032 1.285 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.853 1.294 -9.969 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.836 0.726 -10.219 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.981 2.135 -10.814 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.682 -0.643 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.352 2.883 -12.327 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.027 2.736 -14.057 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.299 -0.765 -14.124 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.998 0.703 -15.059 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.841 0.482 -6.222 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.231 0.725 -4.848 1.00 0.00 C ATOM 2090 C ILE C 32 -2.811 2.128 -4.742 1.00 0.00 C ATOM 2091 O ILE C 32 -2.477 2.998 -5.546 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.003 0.587 -3.931 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.007 -0.464 -4.451 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.480 0.247 -2.513 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.155 -0.704 -3.486 1.00 0.00 C ATOM 0 H ILE C 32 -1.296 1.237 -6.638 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.982 -0.002 -4.539 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.466 1.535 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.533 -1.404 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.387 -0.140 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.618 0.147 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.127 1.044 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.034 -0.691 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.826 -1.454 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.701 0.227 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.767 -1.056 -2.530 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.675 2.349 -3.755 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.299 3.637 -3.531 1.00 0.00 C ATOM 2109 C GLY C 33 -4.114 4.051 -2.077 1.00 0.00 C ATOM 2110 O GLY C 33 -3.948 3.208 -1.196 1.00 0.00 O ATOM 0 H GLY C 33 -3.959 1.632 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.859 4.385 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.361 3.584 -3.772 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.145 5.362 -1.844 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.951 5.940 -0.528 1.00 0.00 C ATOM 2116 C ILE C 34 -4.996 7.028 -0.335 1.00 0.00 C ATOM 2117 O ILE C 34 -5.355 7.721 -1.283 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.532 6.522 -0.422 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.481 5.446 -0.731 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.304 7.091 0.982 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.070 6.030 -0.791 1.00 0.00 C ATOM 0 H ILE C 34 -4.308 6.054 -2.575 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.062 5.182 0.247 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.430 7.323 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.521 4.670 0.033 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.718 4.970 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.296 7.501 1.049 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.031 7.879 1.177 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.422 6.297 1.720 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.643 5.236 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.023 6.788 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.177 6.483 0.169 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.488 7.183 0.895 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.518 8.155 1.196 1.00 0.00 C ATOM 2135 C ASN C 35 -6.225 8.811 2.540 1.00 0.00 C ATOM 2136 O ASN C 35 -6.359 8.184 3.588 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.874 7.447 1.189 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.045 8.416 1.272 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.868 9.627 1.364 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.259 7.884 1.238 1.00 0.00 N ATOM 0 H ASN C 35 -5.180 6.638 1.700 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.537 8.945 0.445 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.964 6.853 0.280 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.921 6.754 2.029 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.081 8.486 1.289 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.371 6.873 1.161 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.823 10.084 2.488 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.483 10.867 3.661 1.00 0.00 C ATOM 2149 C ALA C 36 -5.721 12.347 3.368 1.00 0.00 C ATOM 2150 O ALA C 36 -5.781 12.739 2.201 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.006 10.633 3.983 1.00 0.00 C ATOM 0 H ALA C 36 -5.726 10.600 1.613 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.101 10.570 4.509 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.729 11.213 4.863 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.840 9.574 4.180 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.395 10.945 3.136 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.859 13.179 4.409 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.983 14.618 4.254 1.00 0.00 C ATOM 2159 C PRO C 37 -4.702 15.214 3.683 1.00 0.00 C ATOM 2160 O PRO C 37 -3.627 14.632 3.826 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.245 15.152 5.666 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.667 14.080 6.587 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.905 12.793 5.806 1.00 0.00 C ATOM 0 HA PRO C 37 -6.782 14.884 3.562 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.760 16.115 5.823 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.310 15.298 5.845 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.607 14.244 6.782 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.170 14.064 7.554 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.142 12.048 6.034 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.868 12.351 6.060 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.799 16.382 3.040 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.624 17.119 2.582 1.00 0.00 C ATOM 2173 C LYS C 38 -2.841 17.655 3.777 1.00 0.00 C ATOM 2174 O LYS C 38 -1.804 18.295 3.622 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.028 18.247 1.627 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.779 17.707 0.402 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.959 16.657 -0.349 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.644 17.219 -0.890 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.877 18.288 -1.880 1.00 0.00 N ATOM 0 H LYS C 38 -5.686 16.837 2.825 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.976 16.439 2.029 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.658 18.963 2.154 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.138 18.785 1.301 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.726 17.270 0.720 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.018 18.531 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -3.746 15.821 0.318 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.550 16.263 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.048 17.610 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.066 16.417 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.977 18.540 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.549 17.954 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -3.269 19.124 -1.402 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.353 17.377 4.976 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.696 17.658 6.242 1.00 0.00 C ATOM 2195 C ASP C 39 -1.443 16.798 6.386 1.00 0.00 C ATOM 2196 O ASP C 39 -0.615 17.034 7.263 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.677 17.335 7.367 1.00 0.00 C ATOM 2198 CG ASP C 39 -3.207 17.901 8.704 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.049 19.140 8.782 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -3.011 17.093 9.640 1.00 0.00 O ATOM 0 H ASP C 39 -4.266 16.936 5.091 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.400 18.706 6.285 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.658 17.743 7.123 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.793 16.254 7.450 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.312 15.795 5.510 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.178 14.889 5.449 1.00 0.00 C ATOM 2207 C VAL C 40 0.177 14.660 3.983 1.00 0.00 C ATOM 2208 O VAL C 40 -0.578 15.054 3.091 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.500 13.568 6.164 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.049 13.832 7.574 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.534 12.729 5.419 1.00 0.00 C ATOM 0 H VAL C 40 -2.020 15.592 4.804 1.00 0.00 H new ATOM 0 HA VAL C 40 0.679 15.326 5.962 1.00 0.00 H new ATOM 0 HB VAL C 40 0.441 13.019 6.205 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.270 12.883 8.062 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.306 14.376 8.158 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.961 14.425 7.504 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.721 11.808 5.971 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.462 13.293 5.328 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.158 12.486 4.425 1.00 0.00 H new ATOM 2221 N ALA C 41 1.321 14.031 3.709 1.00 0.00 N ATOM 2222 CA ALA C 41 1.784 13.845 2.343 1.00 0.00 C ATOM 2223 C ALA C 41 1.908 12.363 2.006 1.00 0.00 C ATOM 2224 O ALA C 41 2.006 11.533 2.906 1.00 0.00 O ATOM 2225 CB ALA C 41 3.117 14.568 2.171 1.00 0.00 C ATOM 0 H ALA C 41 1.941 13.643 4.420 1.00 0.00 H new ATOM 0 HA ALA C 41 1.056 14.268 1.651 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.474 14.435 1.150 1.00 0.00 H new ATOM 0 HB2 ALA C 41 2.983 15.631 2.373 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.847 14.155 2.867 1.00 0.00 H new ATOM 2231 N VAL C 42 1.903 12.031 0.712 1.00 0.00 N ATOM 2232 CA VAL C 42 2.025 10.654 0.252 1.00 0.00 C ATOM 2233 C VAL C 42 2.791 10.626 -1.067 1.00 0.00 C ATOM 2234 O VAL C 42 2.425 11.322 -2.011 1.00 0.00 O ATOM 2235 CB VAL C 42 0.638 9.999 0.082 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.203 10.125 1.355 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.189 10.604 -1.052 1.00 0.00 C ATOM 0 H VAL C 42 1.814 12.712 -0.042 1.00 0.00 H new ATOM 0 HA VAL C 42 2.572 10.082 1.002 1.00 0.00 H new ATOM 0 HB VAL C 42 0.859 8.957 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.173 9.653 1.199 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.311 9.633 2.181 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.347 11.179 1.593 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.151 10.095 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.351 11.664 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.345 10.485 -1.995 1.00 0.00 H new ATOM 2247 N HIS C 43 3.860 9.827 -1.141 1.00 0.00 N ATOM 2248 CA HIS C 43 4.606 9.657 -2.383 1.00 0.00 C ATOM 2249 C HIS C 43 5.359 8.333 -2.371 1.00 0.00 C ATOM 2250 O HIS C 43 5.528 7.720 -1.320 1.00 0.00 O ATOM 2251 CB HIS C 43 5.639 10.780 -2.589 1.00 0.00 C ATOM 2252 CG HIS C 43 5.228 12.160 -2.148 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.552 13.090 -2.940 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.458 12.702 -0.916 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.384 14.171 -2.161 1.00 0.00 C ATOM 2256 NE2 HIS C 43 4.919 13.966 -0.942 1.00 0.00 N ATOM 0 H HIS C 43 4.225 9.290 -0.354 1.00 0.00 H new ATOM 0 HA HIS C 43 3.876 9.683 -3.192 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.550 10.508 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS C 43 5.891 10.821 -3.649 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.249 12.973 -3.907 1.00 0.00 H new ATOM 0 HD2 HIS C 43 5.963 12.231 -0.086 1.00 0.00 H new ATOM 0 HE1 HIS C 43 3.888 15.080 -2.469 1.00 0.00 H new ATOM 2264 N ARG C 44 5.812 7.895 -3.551 1.00 0.00 N ATOM 2265 CA ARG C 44 6.705 6.749 -3.650 1.00 0.00 C ATOM 2266 C ARG C 44 8.026 7.102 -2.973 1.00 0.00 C ATOM 2267 O ARG C 44 8.361 8.279 -2.849 1.00 0.00 O ATOM 2268 CB ARG C 44 6.911 6.411 -5.124 1.00 0.00 C ATOM 2269 CG ARG C 44 5.679 5.662 -5.638 1.00 0.00 C ATOM 2270 CD ARG C 44 5.622 5.684 -7.164 1.00 0.00 C ATOM 2271 NE ARG C 44 5.309 7.030 -7.662 1.00 0.00 N ATOM 2272 CZ ARG C 44 6.025 7.706 -8.565 1.00 0.00 C ATOM 2273 NH1 ARG C 44 7.138 7.199 -9.086 1.00 0.00 N ATOM 2274 NH2 ARG C 44 5.619 8.912 -8.953 1.00 0.00 N ATOM 0 H ARG C 44 5.572 8.320 -4.446 1.00 0.00 H new ATOM 0 HA ARG C 44 6.281 5.877 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.066 7.322 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG C 44 7.804 5.798 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.703 4.631 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG C 44 4.776 6.117 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG C 44 6.578 5.355 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG C 44 4.867 4.979 -7.513 1.00 0.00 H new ATOM 0 HE ARG C 44 4.477 7.486 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG C 44 7.461 6.276 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG C 44 7.668 7.733 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG C 44 4.767 9.314 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG C 44 6.160 9.435 -9.642 1.00 0.00 H new ATOM 2288 N GLU C 45 8.780 6.094 -2.535 1.00 0.00 N ATOM 2289 CA GLU C 45 10.022 6.333 -1.808 1.00 0.00 C ATOM 2290 C GLU C 45 11.040 7.070 -2.678 1.00 0.00 C ATOM 2291 O GLU C 45 11.939 7.722 -2.152 1.00 0.00 O ATOM 2292 CB GLU C 45 10.568 5.001 -1.286 1.00 0.00 C ATOM 2293 CG GLU C 45 11.690 5.236 -0.276 1.00 0.00 C ATOM 2294 CD GLU C 45 12.329 3.929 0.186 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.112 3.358 -0.608 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.033 3.508 1.327 1.00 0.00 O ATOM 0 H GLU C 45 8.552 5.109 -2.671 1.00 0.00 H new ATOM 0 HA GLU C 45 9.821 6.981 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.765 4.431 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.940 4.404 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.452 5.874 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.294 5.771 0.587 1.00 0.00 H new ATOM 2303 N GLU C 46 10.915 6.972 -4.005 1.00 0.00 N ATOM 2304 CA GLU C 46 11.798 7.694 -4.909 1.00 0.00 C ATOM 2305 C GLU C 46 11.508 9.188 -4.844 1.00 0.00 C ATOM 2306 O GLU C 46 12.422 10.003 -4.732 1.00 0.00 O ATOM 2307 CB GLU C 46 11.561 7.225 -6.348 1.00 0.00 C ATOM 2308 CG GLU C 46 11.722 5.714 -6.493 1.00 0.00 C ATOM 2309 CD GLU C 46 11.494 5.283 -7.938 1.00 0.00 C ATOM 2310 OE1 GLU C 46 10.311 5.079 -8.287 1.00 0.00 O ATOM 2311 OE2 GLU C 46 12.496 5.167 -8.680 1.00 0.00 O ATOM 0 H GLU C 46 10.211 6.400 -4.471 1.00 0.00 H new ATOM 0 HA GLU C 46 12.828 7.501 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU C 46 10.558 7.514 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.262 7.729 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.721 5.418 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU C 46 11.014 5.204 -5.840 1.00 0.00 H new ATOM 2318 N ILE C 47 10.225 9.548 -4.913 1.00 0.00 N ATOM 2319 CA ILE C 47 9.798 10.938 -4.957 1.00 0.00 C ATOM 2320 C ILE C 47 9.981 11.578 -3.585 1.00 0.00 C ATOM 2321 O ILE C 47 10.200 12.782 -3.481 1.00 0.00 O ATOM 2322 CB ILE C 47 8.326 11.008 -5.369 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.011 10.118 -6.580 1.00 0.00 C ATOM 2324 CG2 ILE C 47 7.929 12.451 -5.675 1.00 0.00 C ATOM 2325 CD1 ILE C 47 8.933 10.376 -7.770 1.00 0.00 C ATOM 0 H ILE C 47 9.456 8.879 -4.940 1.00 0.00 H new ATOM 0 HA ILE C 47 10.403 11.478 -5.685 1.00 0.00 H new ATOM 0 HB ILE C 47 7.744 10.634 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.092 9.072 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.978 10.284 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE C 47 6.879 12.486 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.079 13.066 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.545 12.833 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.659 9.716 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.834 11.414 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE C 47 9.966 10.183 -7.479 1.00 0.00 H new ATOM 2337 N TYR C 48 9.890 10.771 -2.525 1.00 0.00 N ATOM 2338 CA TYR C 48 10.046 11.241 -1.162 1.00 0.00 C ATOM 2339 C TYR C 48 11.434 11.838 -0.954 1.00 0.00 C ATOM 2340 O TYR C 48 11.582 12.824 -0.233 1.00 0.00 O ATOM 2341 CB TYR C 48 9.824 10.045 -0.238 1.00 0.00 C ATOM 2342 CG TYR C 48 9.909 10.341 1.242 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.920 11.104 1.877 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.991 9.839 1.979 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.989 11.338 3.258 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.061 10.046 3.360 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.052 10.792 4.009 1.00 0.00 C ATOM 2348 OH TYR C 48 10.113 10.988 5.355 1.00 0.00 O ATOM 0 H TYR C 48 9.705 9.770 -2.597 1.00 0.00 H new ATOM 0 HA TYR C 48 9.324 12.028 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.842 9.622 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.561 9.279 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.103 11.513 1.302 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.774 9.290 1.478 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.231 11.934 3.745 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.883 9.637 3.928 1.00 0.00 H new ATOM 0 HH TYR C 48 9.897 11.922 5.560 1.00 0.00 H new