USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 SER OG : rot -45:sc= 0.548 USER MOD Set 1.2: A 49 GLN : amide:sc= 1.68 K(o=2.2,f=1.2) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.0397 USER MOD Set 2.2: A 40 MET CE :methyl 140:sc= -1.22 (180deg=-3.11!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 160:sc= -0.132 (180deg=-0.686) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 10 LYS NZ :NH3+ -128:sc= -2.2! (180deg=-3.98!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000315 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 63:sc= -0.176 USER MOD Single : A 33 HIS : no HD1:sc= -0.245 X(o=-0.25,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.21) USER MOD Single : A 38 ASN : amide:sc=-0.000928 K(o=-0.00093,f=-0.9) USER MOD Single : A 41 GLN : amide:sc= 0.592 K(o=0.59,f=-8.6e-05) USER MOD Single : A 43 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 1.756 -0.300 15.413 1.00 0.00 N ATOM 2 CA ASP A 4 2.996 -1.060 15.301 1.00 0.00 C ATOM 3 C ASP A 4 3.548 -0.953 13.891 1.00 0.00 C ATOM 4 O ASP A 4 4.757 -0.826 13.687 1.00 0.00 O ATOM 5 CB ASP A 4 2.770 -2.523 15.684 1.00 0.00 C ATOM 6 CG ASP A 4 4.063 -3.313 15.765 1.00 0.00 C ATOM 7 OD1 ASP A 4 4.937 -2.948 16.584 1.00 0.00 O ATOM 8 OD2 ASP A 4 4.197 -4.317 15.035 1.00 0.00 O ATOM 0 HA ASP A 4 3.726 -0.640 15.993 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.261 -2.568 16.647 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.110 -2.988 14.952 1.00 0.00 H new ATOM 13 N TYR A 5 2.650 -0.980 12.921 1.00 0.00 N ATOM 14 CA TYR A 5 3.018 -0.749 11.539 1.00 0.00 C ATOM 15 C TYR A 5 2.160 0.363 10.952 1.00 0.00 C ATOM 16 O TYR A 5 1.110 0.707 11.498 1.00 0.00 O ATOM 17 CB TYR A 5 2.879 -2.025 10.708 1.00 0.00 C ATOM 18 CG TYR A 5 3.872 -3.110 11.075 1.00 0.00 C ATOM 19 CD1 TYR A 5 5.229 -2.948 10.826 1.00 0.00 C ATOM 20 CD2 TYR A 5 3.451 -4.296 11.668 1.00 0.00 C ATOM 21 CE1 TYR A 5 6.138 -3.935 11.157 1.00 0.00 C ATOM 22 CE2 TYR A 5 4.355 -5.287 12.000 1.00 0.00 C ATOM 23 CZ TYR A 5 5.696 -5.102 11.744 1.00 0.00 C ATOM 24 OH TYR A 5 6.598 -6.089 12.071 1.00 0.00 O ATOM 0 H TYR A 5 1.657 -1.161 13.069 1.00 0.00 H new ATOM 0 HA TYR A 5 4.065 -0.446 11.510 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.869 -2.416 10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.002 -1.775 9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.579 -2.036 10.366 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.401 -4.445 11.872 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.190 -3.793 10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.012 -6.203 12.458 1.00 0.00 H new ATOM 0 HH TYR A 5 6.124 -6.844 12.477 1.00 0.00 H new ATOM 34 N VAL A 6 2.615 0.922 9.843 1.00 0.00 N ATOM 35 CA VAL A 6 1.944 2.039 9.202 1.00 0.00 C ATOM 36 C VAL A 6 2.563 2.262 7.824 1.00 0.00 C ATOM 37 O VAL A 6 3.651 1.751 7.547 1.00 0.00 O ATOM 38 CB VAL A 6 2.056 3.326 10.062 1.00 0.00 C ATOM 39 CG1 VAL A 6 3.494 3.821 10.128 1.00 0.00 C ATOM 40 CG2 VAL A 6 1.131 4.421 9.549 1.00 0.00 C ATOM 0 H VAL A 6 3.460 0.614 9.362 1.00 0.00 H new ATOM 0 HA VAL A 6 0.884 1.807 9.097 1.00 0.00 H new ATOM 0 HB VAL A 6 1.740 3.069 11.073 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.540 4.724 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.124 3.050 10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.849 4.044 9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.235 5.308 10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.396 4.669 8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.099 4.072 9.584 1.00 0.00 H new ATOM 50 N MET A 7 1.874 2.983 6.955 1.00 0.00 N ATOM 51 CA MET A 7 2.401 3.256 5.624 1.00 0.00 C ATOM 52 C MET A 7 1.997 4.645 5.150 1.00 0.00 C ATOM 53 O MET A 7 0.814 4.930 4.977 1.00 0.00 O ATOM 54 CB MET A 7 1.900 2.201 4.633 1.00 0.00 C ATOM 55 CG MET A 7 2.411 2.405 3.216 1.00 0.00 C ATOM 56 SD MET A 7 1.768 1.180 2.060 1.00 0.00 S ATOM 57 CE MET A 7 0.016 1.542 2.124 1.00 0.00 C ATOM 0 H MET A 7 0.957 3.388 7.142 1.00 0.00 H new ATOM 0 HA MET A 7 3.489 3.215 5.675 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.204 1.214 4.981 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.810 2.213 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.133 3.402 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.500 2.361 3.217 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.471 1.139 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.417 1.086 3.014 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.131 2.621 2.161 1.00 0.00 H new ATOM 67 N ALA A 8 2.981 5.508 4.950 1.00 0.00 N ATOM 68 CA ALA A 8 2.726 6.835 4.408 1.00 0.00 C ATOM 69 C ALA A 8 2.839 6.791 2.891 1.00 0.00 C ATOM 70 O ALA A 8 3.871 6.398 2.347 1.00 0.00 O ATOM 71 CB ALA A 8 3.699 7.848 4.992 1.00 0.00 C ATOM 0 H ALA A 8 3.962 5.315 5.154 1.00 0.00 H new ATOM 0 HA ALA A 8 1.718 7.146 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.492 8.833 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.583 7.881 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.720 7.556 4.745 1.00 0.00 H new ATOM 77 N THR A 9 1.778 7.170 2.205 1.00 0.00 N ATOM 78 CA THR A 9 1.754 7.092 0.757 1.00 0.00 C ATOM 79 C THR A 9 2.214 8.397 0.110 1.00 0.00 C ATOM 80 O THR A 9 2.614 9.336 0.796 1.00 0.00 O ATOM 81 CB THR A 9 0.352 6.725 0.240 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.610 7.669 0.711 1.00 0.00 O ATOM 83 CG2 THR A 9 -0.042 5.319 0.679 1.00 0.00 C ATOM 0 H THR A 9 0.923 7.534 2.626 1.00 0.00 H new ATOM 0 HA THR A 9 2.453 6.304 0.476 1.00 0.00 H new ATOM 0 HB THR A 9 0.376 6.751 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.498 7.427 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.037 5.085 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.675 4.600 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.046 5.266 1.768 1.00 0.00 H new ATOM 91 N LYS A 10 2.168 8.408 -1.220 1.00 0.00 N ATOM 92 CA LYS A 10 2.581 9.539 -2.051 1.00 0.00 C ATOM 93 C LYS A 10 2.120 10.877 -1.478 1.00 0.00 C ATOM 94 O LYS A 10 2.891 11.831 -1.390 1.00 0.00 O ATOM 95 CB LYS A 10 1.960 9.380 -3.437 1.00 0.00 C ATOM 96 CG LYS A 10 2.500 10.346 -4.476 1.00 0.00 C ATOM 97 CD LYS A 10 1.946 10.067 -5.871 1.00 0.00 C ATOM 98 CE LYS A 10 0.431 10.288 -5.967 1.00 0.00 C ATOM 99 NZ LYS A 10 -0.377 9.275 -5.225 1.00 0.00 N ATOM 0 H LYS A 10 1.835 7.612 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 10 3.670 9.540 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.128 8.360 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.881 9.516 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.249 11.366 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.588 10.280 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.449 10.712 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.176 9.039 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.193 11.280 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.138 10.274 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.097 8.873 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.247 8.516 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.845 9.730 -4.415 1.00 0.00 H new ATOM 113 N ASP A 11 0.857 10.922 -1.081 1.00 0.00 N ATOM 114 CA ASP A 11 0.207 12.170 -0.699 1.00 0.00 C ATOM 115 C ASP A 11 0.541 12.568 0.734 1.00 0.00 C ATOM 116 O ASP A 11 0.016 13.551 1.253 1.00 0.00 O ATOM 117 CB ASP A 11 -1.307 12.030 -0.869 1.00 0.00 C ATOM 118 CG ASP A 11 -1.693 11.670 -2.290 1.00 0.00 C ATOM 119 OD1 ASP A 11 -1.567 10.481 -2.665 1.00 0.00 O ATOM 120 OD2 ASP A 11 -2.124 12.568 -3.035 1.00 0.00 O ATOM 0 H ASP A 11 0.256 10.101 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 11 0.580 12.959 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.678 11.264 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.790 12.966 -0.589 1.00 0.00 H new ATOM 125 N GLY A 12 1.409 11.800 1.374 1.00 0.00 N ATOM 126 CA GLY A 12 1.818 12.108 2.730 1.00 0.00 C ATOM 127 C GLY A 12 0.821 11.623 3.758 1.00 0.00 C ATOM 128 O GLY A 12 0.990 11.848 4.956 1.00 0.00 O ATOM 0 H GLY A 12 1.840 10.965 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.788 11.652 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.946 13.186 2.832 1.00 0.00 H new ATOM 132 N ARG A 13 -0.224 10.955 3.293 1.00 0.00 N ATOM 133 CA ARG A 13 -1.246 10.435 4.185 1.00 0.00 C ATOM 134 C ARG A 13 -0.805 9.090 4.749 1.00 0.00 C ATOM 135 O ARG A 13 -0.254 8.251 4.031 1.00 0.00 O ATOM 136 CB ARG A 13 -2.588 10.307 3.457 1.00 0.00 C ATOM 137 CG ARG A 13 -2.546 9.386 2.251 1.00 0.00 C ATOM 138 CD ARG A 13 -3.867 9.373 1.499 1.00 0.00 C ATOM 139 NE ARG A 13 -4.971 8.865 2.312 1.00 0.00 N ATOM 140 CZ ARG A 13 -6.200 8.648 1.841 1.00 0.00 C ATOM 141 NH1 ARG A 13 -6.469 8.854 0.554 1.00 0.00 N ATOM 142 NH2 ARG A 13 -7.157 8.214 2.654 1.00 0.00 N ATOM 0 H ARG A 13 -0.385 10.761 2.305 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.380 11.134 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.337 9.938 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.912 11.297 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.749 9.705 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.304 8.374 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.101 10.384 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.766 8.758 0.605 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.791 8.665 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.735 9.179 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.410 8.687 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.952 8.047 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.097 8.048 2.293 1.00 0.00 H new ATOM 156 N MET A 14 -1.020 8.897 6.039 1.00 0.00 N ATOM 157 CA MET A 14 -0.634 7.658 6.692 1.00 0.00 C ATOM 158 C MET A 14 -1.787 6.669 6.680 1.00 0.00 C ATOM 159 O MET A 14 -2.860 6.942 7.216 1.00 0.00 O ATOM 160 CB MET A 14 -0.189 7.923 8.133 1.00 0.00 C ATOM 161 CG MET A 14 1.034 8.822 8.248 1.00 0.00 C ATOM 162 SD MET A 14 1.527 9.108 9.959 1.00 0.00 S ATOM 163 CE MET A 14 2.941 10.188 9.726 1.00 0.00 C ATOM 0 H MET A 14 -1.459 9.582 6.654 1.00 0.00 H new ATOM 0 HA MET A 14 0.203 7.230 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.015 8.379 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.026 6.970 8.617 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.864 8.370 7.705 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.823 9.779 7.770 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.359 10.455 10.697 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.698 9.674 9.134 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.626 11.093 9.206 1.00 0.00 H new ATOM 173 N ILE A 15 -1.566 5.535 6.043 1.00 0.00 N ATOM 174 CA ILE A 15 -2.546 4.468 6.014 1.00 0.00 C ATOM 175 C ILE A 15 -2.395 3.609 7.265 1.00 0.00 C ATOM 176 O ILE A 15 -1.285 3.181 7.597 1.00 0.00 O ATOM 177 CB ILE A 15 -2.374 3.584 4.757 1.00 0.00 C ATOM 178 CG1 ILE A 15 -2.419 4.437 3.485 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.444 2.503 4.709 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.735 5.160 3.268 1.00 0.00 C ATOM 0 H ILE A 15 -0.707 5.329 5.534 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.540 4.915 5.983 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.399 3.101 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.616 5.172 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.223 3.797 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.305 1.892 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.365 1.874 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.430 2.968 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.684 5.741 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.542 4.432 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.926 5.828 4.108 1.00 0.00 H new ATOM 192 N LEU A 16 -3.501 3.369 7.958 1.00 0.00 N ATOM 193 CA LEU A 16 -3.480 2.589 9.190 1.00 0.00 C ATOM 194 C LEU A 16 -3.447 1.099 8.881 1.00 0.00 C ATOM 195 O LEU A 16 -4.396 0.361 9.168 1.00 0.00 O ATOM 196 CB LEU A 16 -4.686 2.921 10.079 1.00 0.00 C ATOM 197 CG LEU A 16 -4.663 4.301 10.759 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.358 4.511 11.513 1.00 0.00 C ATOM 199 CD2 LEU A 16 -4.890 5.420 9.752 1.00 0.00 C ATOM 0 H LEU A 16 -4.426 3.704 7.688 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.574 2.854 9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.589 2.852 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.763 2.158 10.853 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.482 4.329 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.365 5.493 11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.252 3.741 12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.522 4.449 10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.868 6.381 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.105 5.394 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.860 5.287 9.273 1.00 0.00 H new ATOM 211 N THR A 17 -2.353 0.671 8.278 1.00 0.00 N ATOM 212 CA THR A 17 -2.158 -0.722 7.938 1.00 0.00 C ATOM 213 C THR A 17 -1.859 -1.542 9.180 1.00 0.00 C ATOM 214 O THR A 17 -1.060 -1.123 10.017 1.00 0.00 O ATOM 215 CB THR A 17 -0.989 -0.883 6.950 1.00 0.00 C ATOM 216 OG1 THR A 17 0.180 -0.222 7.464 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.342 -0.312 5.588 1.00 0.00 C ATOM 0 H THR A 17 -1.578 1.279 8.012 1.00 0.00 H new ATOM 0 HA THR A 17 -3.079 -1.078 7.477 1.00 0.00 H new ATOM 0 HB THR A 17 -0.786 -1.948 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.921 -0.329 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.498 -0.439 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.211 -0.835 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.571 0.749 5.687 1.00 0.00 H new ATOM 225 N ASP A 18 -2.507 -2.697 9.307 1.00 0.00 N ATOM 226 CA ASP A 18 -2.176 -3.635 10.375 1.00 0.00 C ATOM 227 C ASP A 18 -0.703 -3.996 10.279 1.00 0.00 C ATOM 228 O ASP A 18 -0.013 -4.139 11.288 1.00 0.00 O ATOM 229 CB ASP A 18 -3.061 -4.882 10.308 1.00 0.00 C ATOM 230 CG ASP A 18 -4.478 -4.595 10.771 1.00 0.00 C ATOM 231 OD1 ASP A 18 -5.267 -4.033 9.983 1.00 0.00 O ATOM 232 OD2 ASP A 18 -4.803 -4.906 11.938 1.00 0.00 O ATOM 0 H ASP A 18 -3.258 -3.004 8.689 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.365 -3.164 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.082 -5.258 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.629 -5.668 10.927 1.00 0.00 H new ATOM 237 N GLY A 19 -0.233 -4.136 9.048 1.00 0.00 N ATOM 238 CA GLY A 19 1.197 -4.149 8.791 1.00 0.00 C ATOM 239 C GLY A 19 1.529 -4.950 7.568 1.00 0.00 C ATOM 240 O GLY A 19 0.619 -5.528 6.967 1.00 0.00 O ATOM 0 H GLY A 19 -0.817 -4.241 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.554 -3.127 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.719 -4.566 9.653 1.00 0.00 H new ATOM 244 N LYS A 20 2.806 -4.971 7.158 1.00 0.00 N ATOM 245 CA LYS A 20 3.218 -5.993 6.210 1.00 0.00 C ATOM 246 C LYS A 20 2.673 -5.764 4.802 1.00 0.00 C ATOM 247 O LYS A 20 1.773 -6.474 4.353 1.00 0.00 O ATOM 248 CB LYS A 20 2.886 -7.405 6.706 1.00 0.00 C ATOM 249 CG LYS A 20 3.576 -7.754 8.015 1.00 0.00 C ATOM 250 CD LYS A 20 3.722 -9.253 8.195 1.00 0.00 C ATOM 251 CE LYS A 20 4.592 -9.854 7.101 1.00 0.00 C ATOM 252 NZ LYS A 20 4.913 -11.279 7.363 1.00 0.00 N ATOM 0 H LYS A 20 3.534 -4.322 7.456 1.00 0.00 H new ATOM 0 HA LYS A 20 4.302 -5.907 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.807 -7.494 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.176 -8.129 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.561 -7.287 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.005 -7.342 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.161 -9.464 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.738 -9.722 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.079 -9.769 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.517 -9.283 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.507 -11.648 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.425 -11.359 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.032 -11.829 7.415 1.00 0.00 H new ATOM 266 N PRO A 21 3.190 -4.756 4.093 1.00 0.00 N ATOM 267 CA PRO A 21 2.803 -4.494 2.717 1.00 0.00 C ATOM 268 C PRO A 21 3.563 -5.389 1.746 1.00 0.00 C ATOM 269 O PRO A 21 4.756 -5.193 1.505 1.00 0.00 O ATOM 270 CB PRO A 21 3.177 -3.019 2.500 1.00 0.00 C ATOM 271 CG PRO A 21 3.827 -2.553 3.768 1.00 0.00 C ATOM 272 CD PRO A 21 4.177 -3.784 4.559 1.00 0.00 C ATOM 0 HA PRO A 21 1.746 -4.695 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.856 -2.911 1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.292 -2.423 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.720 -1.967 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.153 -1.910 4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.196 -4.116 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.100 -3.611 5.632 1.00 0.00 H new ATOM 280 N GLU A 22 2.877 -6.387 1.211 1.00 0.00 N ATOM 281 CA GLU A 22 3.496 -7.330 0.294 1.00 0.00 C ATOM 282 C GLU A 22 3.522 -6.766 -1.113 1.00 0.00 C ATOM 283 O GLU A 22 2.487 -6.647 -1.765 1.00 0.00 O ATOM 284 CB GLU A 22 2.756 -8.666 0.307 1.00 0.00 C ATOM 285 CG GLU A 22 2.800 -9.375 1.647 1.00 0.00 C ATOM 286 CD GLU A 22 2.317 -10.804 1.555 1.00 0.00 C ATOM 287 OE1 GLU A 22 1.092 -11.026 1.581 1.00 0.00 O ATOM 288 OE2 GLU A 22 3.165 -11.716 1.444 1.00 0.00 O ATOM 0 H GLU A 22 1.890 -6.565 1.397 1.00 0.00 H new ATOM 0 HA GLU A 22 4.521 -7.497 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.716 -8.498 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.187 -9.317 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.821 -9.363 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.185 -8.831 2.364 1.00 0.00 H new ATOM 295 N ILE A 23 4.705 -6.409 -1.573 1.00 0.00 N ATOM 296 CA ILE A 23 4.860 -5.836 -2.892 1.00 0.00 C ATOM 297 C ILE A 23 4.825 -6.923 -3.959 1.00 0.00 C ATOM 298 O ILE A 23 5.667 -7.823 -3.974 1.00 0.00 O ATOM 299 CB ILE A 23 6.176 -5.037 -3.007 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.228 -3.958 -1.919 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.302 -4.413 -4.392 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.481 -3.107 -1.953 1.00 0.00 C ATOM 0 H ILE A 23 5.575 -6.507 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 23 4.026 -5.152 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 23 7.016 -5.717 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.358 -3.310 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.153 -4.437 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.235 -3.854 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.298 -5.199 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.463 -3.739 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.441 -2.368 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.356 -3.742 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.549 -2.597 -2.914 1.00 0.00 H new ATOM 314 N ASP A 24 3.822 -6.847 -4.819 1.00 0.00 N ATOM 315 CA ASP A 24 3.714 -7.724 -5.966 1.00 0.00 C ATOM 316 C ASP A 24 4.781 -7.347 -6.978 1.00 0.00 C ATOM 317 O ASP A 24 4.585 -6.442 -7.793 1.00 0.00 O ATOM 318 CB ASP A 24 2.327 -7.609 -6.609 1.00 0.00 C ATOM 319 CG ASP A 24 1.206 -8.008 -5.670 1.00 0.00 C ATOM 320 OD1 ASP A 24 0.860 -9.204 -5.634 1.00 0.00 O ATOM 321 OD2 ASP A 24 0.657 -7.122 -4.973 1.00 0.00 O ATOM 0 H ASP A 24 3.060 -6.173 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 24 3.855 -8.755 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.169 -6.582 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.291 -8.239 -7.498 1.00 0.00 H new ATOM 326 N ASP A 25 5.911 -8.038 -6.917 1.00 0.00 N ATOM 327 CA ASP A 25 7.080 -7.685 -7.709 1.00 0.00 C ATOM 328 C ASP A 25 6.822 -7.884 -9.194 1.00 0.00 C ATOM 329 O ASP A 25 7.528 -7.322 -10.031 1.00 0.00 O ATOM 330 CB ASP A 25 8.294 -8.515 -7.275 1.00 0.00 C ATOM 331 CG ASP A 25 8.133 -9.993 -7.574 1.00 0.00 C ATOM 332 OD1 ASP A 25 7.451 -10.690 -6.792 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.689 -10.465 -8.589 1.00 0.00 O ATOM 0 H ASP A 25 6.043 -8.855 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 25 7.289 -6.629 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.184 -8.141 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.456 -8.381 -6.206 1.00 0.00 H new ATOM 338 N ASP A 26 5.810 -8.680 -9.514 1.00 0.00 N ATOM 339 CA ASP A 26 5.464 -8.953 -10.902 1.00 0.00 C ATOM 340 C ASP A 26 5.098 -7.674 -11.648 1.00 0.00 C ATOM 341 O ASP A 26 5.589 -7.423 -12.749 1.00 0.00 O ATOM 342 CB ASP A 26 4.300 -9.943 -10.979 1.00 0.00 C ATOM 343 CG ASP A 26 3.877 -10.224 -12.409 1.00 0.00 C ATOM 344 OD1 ASP A 26 4.497 -11.095 -13.056 1.00 0.00 O ATOM 345 OD2 ASP A 26 2.923 -9.574 -12.891 1.00 0.00 O ATOM 0 H ASP A 26 5.214 -9.148 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 26 6.342 -9.389 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.588 -10.877 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.451 -9.546 -10.423 1.00 0.00 H new ATOM 350 N THR A 27 4.239 -6.866 -11.043 1.00 0.00 N ATOM 351 CA THR A 27 3.732 -5.667 -11.699 1.00 0.00 C ATOM 352 C THR A 27 4.164 -4.395 -10.967 1.00 0.00 C ATOM 353 O THR A 27 4.290 -3.329 -11.572 1.00 0.00 O ATOM 354 CB THR A 27 2.192 -5.719 -11.811 1.00 0.00 C ATOM 355 OG1 THR A 27 1.690 -4.544 -12.458 1.00 0.00 O ATOM 356 CG2 THR A 27 1.550 -5.868 -10.440 1.00 0.00 C ATOM 0 H THR A 27 3.879 -7.018 -10.101 1.00 0.00 H new ATOM 0 HA THR A 27 4.161 -5.638 -12.701 1.00 0.00 H new ATOM 0 HB THR A 27 1.934 -6.590 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.713 -4.597 -12.521 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.466 -5.902 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.897 -6.790 -9.974 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.826 -5.019 -9.815 1.00 0.00 H new ATOM 364 N GLY A 28 4.416 -4.512 -9.670 1.00 0.00 N ATOM 365 CA GLY A 28 4.783 -3.356 -8.885 1.00 0.00 C ATOM 366 C GLY A 28 3.626 -2.818 -8.070 1.00 0.00 C ATOM 367 O GLY A 28 3.504 -1.611 -7.876 1.00 0.00 O ATOM 0 H GLY A 28 4.372 -5.388 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.602 -3.620 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.152 -2.573 -9.548 1.00 0.00 H new ATOM 371 N LEU A 29 2.764 -3.708 -7.602 1.00 0.00 N ATOM 372 CA LEU A 29 1.669 -3.313 -6.721 1.00 0.00 C ATOM 373 C LEU A 29 2.034 -3.648 -5.283 1.00 0.00 C ATOM 374 O LEU A 29 2.941 -4.432 -5.044 1.00 0.00 O ATOM 375 CB LEU A 29 0.361 -4.017 -7.108 1.00 0.00 C ATOM 376 CG LEU A 29 -0.127 -3.768 -8.537 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.483 -4.420 -8.756 1.00 0.00 C ATOM 378 CD2 LEU A 29 -0.192 -2.279 -8.841 1.00 0.00 C ATOM 0 H LEU A 29 2.799 -4.705 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 29 1.513 -2.239 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.493 -5.090 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.420 -3.700 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 29 0.590 -4.219 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.816 -4.233 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.401 -5.494 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.206 -4.000 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.542 -2.131 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.881 -1.796 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.800 -1.841 -8.730 1.00 0.00 H new ATOM 390 N VAL A 30 1.359 -3.035 -4.329 1.00 0.00 N ATOM 391 CA VAL A 30 1.612 -3.309 -2.927 1.00 0.00 C ATOM 392 C VAL A 30 0.347 -3.802 -2.241 1.00 0.00 C ATOM 393 O VAL A 30 -0.612 -3.051 -2.063 1.00 0.00 O ATOM 394 CB VAL A 30 2.139 -2.060 -2.186 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.421 -2.378 -0.730 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.388 -1.515 -2.858 1.00 0.00 C ATOM 0 H VAL A 30 0.630 -2.343 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 30 2.377 -4.084 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 30 1.365 -1.294 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.791 -1.484 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.503 -2.713 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.172 -3.166 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.738 -0.636 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.166 -2.278 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.157 -1.239 -3.887 1.00 0.00 H new ATOM 406 N SER A 31 0.343 -5.071 -1.878 1.00 0.00 N ATOM 407 CA SER A 31 -0.776 -5.664 -1.171 1.00 0.00 C ATOM 408 C SER A 31 -0.736 -5.270 0.306 1.00 0.00 C ATOM 409 O SER A 31 0.050 -5.815 1.085 1.00 0.00 O ATOM 410 CB SER A 31 -0.742 -7.186 -1.322 1.00 0.00 C ATOM 411 OG SER A 31 -0.906 -7.572 -2.680 1.00 0.00 O ATOM 0 H SER A 31 1.111 -5.716 -2.064 1.00 0.00 H new ATOM 0 HA SER A 31 -1.706 -5.292 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.205 -7.570 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.531 -7.632 -0.717 1.00 0.00 H new ATOM 0 HG SER A 31 -0.155 -7.232 -3.210 1.00 0.00 H new ATOM 417 N TYR A 32 -1.569 -4.310 0.679 1.00 0.00 N ATOM 418 CA TYR A 32 -1.584 -3.796 2.039 1.00 0.00 C ATOM 419 C TYR A 32 -2.926 -4.075 2.711 1.00 0.00 C ATOM 420 O TYR A 32 -3.947 -4.228 2.038 1.00 0.00 O ATOM 421 CB TYR A 32 -1.275 -2.291 2.046 1.00 0.00 C ATOM 422 CG TYR A 32 -2.335 -1.413 1.394 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.589 -1.473 0.028 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.074 -0.514 2.154 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.545 -0.665 -0.559 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.028 0.300 1.571 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.261 0.218 0.215 1.00 0.00 C ATOM 428 OH TYR A 32 -5.206 1.034 -0.375 1.00 0.00 O ATOM 0 H TYR A 32 -2.246 -3.870 0.055 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.810 -4.310 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.142 -1.968 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.326 -2.128 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.029 -2.163 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.900 -0.450 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.729 -0.727 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.588 0.997 2.176 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.624 1.598 0.309 1.00 0.00 H new ATOM 438 N HIS A 33 -2.913 -4.162 4.036 1.00 0.00 N ATOM 439 CA HIS A 33 -4.128 -4.428 4.799 1.00 0.00 C ATOM 440 C HIS A 33 -4.564 -3.189 5.563 1.00 0.00 C ATOM 441 O HIS A 33 -3.802 -2.646 6.357 1.00 0.00 O ATOM 442 CB HIS A 33 -3.919 -5.572 5.798 1.00 0.00 C ATOM 443 CG HIS A 33 -3.632 -6.900 5.174 1.00 0.00 C ATOM 444 ND1 HIS A 33 -2.718 -7.790 5.695 1.00 0.00 N ATOM 445 CD2 HIS A 33 -4.158 -7.503 4.084 1.00 0.00 C ATOM 446 CE1 HIS A 33 -2.690 -8.875 4.947 1.00 0.00 C ATOM 447 NE2 HIS A 33 -3.558 -8.730 3.963 1.00 0.00 N ATOM 0 H HIS A 33 -2.074 -4.052 4.605 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.900 -4.713 4.084 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.094 -5.311 6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.811 -5.662 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.912 -7.093 3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.062 -9.738 5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.750 -9.417 3.234 1.00 0.00 H new ATOM 456 N ASP A 34 -5.787 -2.753 5.321 1.00 0.00 N ATOM 457 CA ASP A 34 -6.369 -1.650 6.079 1.00 0.00 C ATOM 458 C ASP A 34 -7.133 -2.170 7.281 1.00 0.00 C ATOM 459 O ASP A 34 -7.470 -3.357 7.342 1.00 0.00 O ATOM 460 CB ASP A 34 -7.301 -0.807 5.205 1.00 0.00 C ATOM 461 CG ASP A 34 -6.796 0.607 5.009 1.00 0.00 C ATOM 462 OD1 ASP A 34 -6.455 1.257 6.020 1.00 0.00 O ATOM 463 OD2 ASP A 34 -6.791 1.096 3.860 1.00 0.00 O ATOM 0 H ASP A 34 -6.400 -3.143 4.606 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.548 -1.020 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.413 -1.287 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.290 -0.775 5.661 1.00 0.00 H new ATOM 468 N GLN A 35 -7.423 -1.272 8.220 1.00 0.00 N ATOM 469 CA GLN A 35 -8.150 -1.619 9.437 1.00 0.00 C ATOM 470 C GLN A 35 -9.634 -1.836 9.145 1.00 0.00 C ATOM 471 O GLN A 35 -10.510 -1.156 9.683 1.00 0.00 O ATOM 472 CB GLN A 35 -7.960 -0.538 10.503 1.00 0.00 C ATOM 473 CG GLN A 35 -8.283 0.868 10.025 1.00 0.00 C ATOM 474 CD GLN A 35 -8.137 1.906 11.120 1.00 0.00 C ATOM 475 OE1 GLN A 35 -7.228 1.667 12.050 1.00 0.00 O flip ATOM 476 NE2 GLN A 35 -8.838 2.917 11.127 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.162 -0.288 8.159 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.743 -2.555 9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.591 -0.773 11.360 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.927 -0.564 10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.624 1.126 9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.303 0.892 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.528 3.064 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.729 3.608 11.869 1.00 0.00 H new ATOM 485 N GLN A 36 -9.890 -2.781 8.266 1.00 0.00 N ATOM 486 CA GLN A 36 -11.236 -3.186 7.912 1.00 0.00 C ATOM 487 C GLN A 36 -11.219 -4.659 7.518 1.00 0.00 C ATOM 488 O GLN A 36 -12.224 -5.208 7.065 1.00 0.00 O ATOM 489 CB GLN A 36 -11.751 -2.332 6.740 1.00 0.00 C ATOM 490 CG GLN A 36 -13.236 -2.499 6.451 1.00 0.00 C ATOM 491 CD GLN A 36 -14.101 -2.201 7.660 1.00 0.00 C ATOM 492 OE1 GLN A 36 -14.491 -1.058 7.886 1.00 0.00 O ATOM 493 NE2 GLN A 36 -14.424 -3.228 8.434 1.00 0.00 N ATOM 0 H GLN A 36 -9.162 -3.296 7.771 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.900 -3.041 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.550 -1.282 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.187 -2.588 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.520 -1.837 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.425 -3.519 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.080 -4.162 8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.017 -3.084 9.251 1.00 0.00 H new ATOM 502 N GLY A 37 -10.070 -5.304 7.715 1.00 0.00 N ATOM 503 CA GLY A 37 -9.863 -6.613 7.133 1.00 0.00 C ATOM 504 C GLY A 37 -9.812 -6.481 5.631 1.00 0.00 C ATOM 505 O GLY A 37 -10.415 -7.263 4.893 1.00 0.00 O ATOM 0 H GLY A 37 -9.288 -4.945 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.935 -7.047 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.669 -7.286 7.424 1.00 0.00 H new ATOM 509 N ASN A 38 -9.091 -5.463 5.187 1.00 0.00 N ATOM 510 CA ASN A 38 -9.141 -5.029 3.806 1.00 0.00 C ATOM 511 C ASN A 38 -7.822 -5.320 3.104 1.00 0.00 C ATOM 512 O ASN A 38 -6.789 -4.748 3.453 1.00 0.00 O ATOM 513 CB ASN A 38 -9.426 -3.528 3.767 1.00 0.00 C ATOM 514 CG ASN A 38 -10.192 -3.102 2.534 1.00 0.00 C ATOM 515 OD1 ASN A 38 -10.114 -3.735 1.483 1.00 0.00 O ATOM 516 ND2 ASN A 38 -10.941 -2.018 2.661 1.00 0.00 N ATOM 0 H ASN A 38 -8.458 -4.919 5.774 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.932 -5.573 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.994 -3.249 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.482 -2.984 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.483 -1.677 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.976 -1.524 3.553 1.00 0.00 H new ATOM 523 N ALA A 39 -7.860 -6.212 2.130 1.00 0.00 N ATOM 524 CA ALA A 39 -6.675 -6.553 1.358 1.00 0.00 C ATOM 525 C ALA A 39 -6.728 -5.874 -0.001 1.00 0.00 C ATOM 526 O ALA A 39 -7.527 -6.248 -0.861 1.00 0.00 O ATOM 527 CB ALA A 39 -6.552 -8.062 1.201 1.00 0.00 C ATOM 0 H ALA A 39 -8.702 -6.716 1.853 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.794 -6.197 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.659 -8.296 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.477 -8.525 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.431 -8.447 0.685 1.00 0.00 H new ATOM 533 N MET A 40 -5.893 -4.864 -0.181 1.00 0.00 N ATOM 534 CA MET A 40 -5.880 -4.090 -1.416 1.00 0.00 C ATOM 535 C MET A 40 -4.476 -4.031 -1.996 1.00 0.00 C ATOM 536 O MET A 40 -3.500 -4.287 -1.295 1.00 0.00 O ATOM 537 CB MET A 40 -6.399 -2.675 -1.156 1.00 0.00 C ATOM 538 CG MET A 40 -7.855 -2.634 -0.729 1.00 0.00 C ATOM 539 SD MET A 40 -8.413 -0.975 -0.287 1.00 0.00 S ATOM 540 CE MET A 40 -7.433 -0.681 1.182 1.00 0.00 C ATOM 0 H MET A 40 -5.212 -4.558 0.514 1.00 0.00 H new ATOM 0 HA MET A 40 -6.533 -4.581 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.788 -2.209 -0.383 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.277 -2.080 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.476 -3.017 -1.539 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.997 -3.298 0.123 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.082 0.351 1.185 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.043 -0.859 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.577 -1.356 1.189 1.00 0.00 H new ATOM 550 N GLN A 41 -4.376 -3.694 -3.274 1.00 0.00 N ATOM 551 CA GLN A 41 -3.084 -3.591 -3.941 1.00 0.00 C ATOM 552 C GLN A 41 -2.883 -2.177 -4.469 1.00 0.00 C ATOM 553 O GLN A 41 -3.584 -1.737 -5.380 1.00 0.00 O ATOM 554 CB GLN A 41 -2.985 -4.603 -5.084 1.00 0.00 C ATOM 555 CG GLN A 41 -3.064 -6.045 -4.618 1.00 0.00 C ATOM 556 CD GLN A 41 -3.041 -7.025 -5.769 1.00 0.00 C ATOM 557 OE1 GLN A 41 -4.085 -7.375 -6.317 1.00 0.00 O ATOM 558 NE2 GLN A 41 -1.859 -7.489 -6.134 1.00 0.00 N ATOM 0 H GLN A 41 -5.176 -3.487 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.300 -3.814 -3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.787 -4.415 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.045 -4.451 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.229 -6.254 -3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.978 -6.188 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.017 -7.173 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.789 -8.163 -6.896 1.00 0.00 H new ATOM 567 N ILE A 42 -1.943 -1.464 -3.873 1.00 0.00 N ATOM 568 CA ILE A 42 -1.682 -0.081 -4.239 1.00 0.00 C ATOM 569 C ILE A 42 -0.387 0.026 -5.051 1.00 0.00 C ATOM 570 O ILE A 42 0.575 -0.665 -4.771 1.00 0.00 O ATOM 571 CB ILE A 42 -1.604 0.806 -2.973 1.00 0.00 C ATOM 572 CG1 ILE A 42 -1.372 2.261 -3.353 1.00 0.00 C ATOM 573 CG2 ILE A 42 -0.531 0.315 -2.022 1.00 0.00 C ATOM 574 CD1 ILE A 42 -2.498 2.816 -4.182 1.00 0.00 C ATOM 0 H ILE A 42 -1.344 -1.822 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.505 0.273 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.560 0.736 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.260 2.858 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.438 2.346 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.501 0.959 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.756 -0.707 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.437 0.339 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.289 3.857 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.593 2.237 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.429 2.757 -3.618 1.00 0.00 H new ATOM 586 N ASN A 43 -0.368 0.882 -6.064 1.00 0.00 N ATOM 587 CA ASN A 43 0.795 0.996 -6.946 1.00 0.00 C ATOM 588 C ASN A 43 2.038 1.460 -6.183 1.00 0.00 C ATOM 589 O ASN A 43 1.947 2.245 -5.237 1.00 0.00 O ATOM 590 CB ASN A 43 0.497 1.959 -8.098 1.00 0.00 C ATOM 591 CG ASN A 43 1.634 2.044 -9.103 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.366 1.081 -9.320 1.00 0.00 O ATOM 593 ND2 ASN A 43 1.792 3.200 -9.722 1.00 0.00 N ATOM 0 H ASN A 43 -1.139 1.507 -6.298 1.00 0.00 H new ATOM 0 HA ASN A 43 1.000 0.005 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.410 1.637 -8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.300 2.952 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.541 3.315 -10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.165 3.978 -9.517 1.00 0.00 H new ATOM 600 N ARG A 44 3.198 0.964 -6.610 1.00 0.00 N ATOM 601 CA ARG A 44 4.483 1.305 -5.998 1.00 0.00 C ATOM 602 C ARG A 44 4.768 2.805 -6.058 1.00 0.00 C ATOM 603 O ARG A 44 5.510 3.334 -5.232 1.00 0.00 O ATOM 604 CB ARG A 44 5.617 0.537 -6.682 1.00 0.00 C ATOM 605 CG ARG A 44 5.583 0.623 -8.200 1.00 0.00 C ATOM 606 CD ARG A 44 6.691 -0.196 -8.839 1.00 0.00 C ATOM 607 NE ARG A 44 6.370 -0.543 -10.221 1.00 0.00 N ATOM 608 CZ ARG A 44 7.273 -0.836 -11.155 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.572 -0.737 -10.895 1.00 0.00 N ATOM 610 NH2 ARG A 44 6.874 -1.217 -12.361 1.00 0.00 N ATOM 0 H ARG A 44 3.274 0.313 -7.392 1.00 0.00 H new ATOM 0 HA ARG A 44 4.426 1.018 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.572 0.923 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.566 -0.510 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.617 0.271 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.678 1.665 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.624 0.367 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.851 -1.107 -8.262 1.00 0.00 H new ATOM 0 HE ARG A 44 5.386 -0.562 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.886 -0.434 -9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.255 -0.964 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.878 -1.285 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.563 -1.442 -13.079 1.00 0.00 H new ATOM 624 N ASP A 45 4.183 3.484 -7.035 1.00 0.00 N ATOM 625 CA ASP A 45 4.363 4.928 -7.164 1.00 0.00 C ATOM 626 C ASP A 45 3.395 5.681 -6.265 1.00 0.00 C ATOM 627 O ASP A 45 3.504 6.896 -6.096 1.00 0.00 O ATOM 628 CB ASP A 45 4.185 5.376 -8.614 1.00 0.00 C ATOM 629 CG ASP A 45 5.390 5.046 -9.468 1.00 0.00 C ATOM 630 OD1 ASP A 45 6.340 5.858 -9.499 1.00 0.00 O ATOM 631 OD2 ASP A 45 5.399 3.971 -10.112 1.00 0.00 O ATOM 0 H ASP A 45 3.584 3.065 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 45 5.381 5.160 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.302 4.896 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.007 6.451 -8.641 1.00 0.00 H new ATOM 636 N ASP A 46 2.452 4.962 -5.682 1.00 0.00 N ATOM 637 CA ASP A 46 1.481 5.573 -4.790 1.00 0.00 C ATOM 638 C ASP A 46 1.892 5.393 -3.337 1.00 0.00 C ATOM 639 O ASP A 46 1.473 6.157 -2.474 1.00 0.00 O ATOM 640 CB ASP A 46 0.078 5.015 -5.028 1.00 0.00 C ATOM 641 CG ASP A 46 -0.578 5.620 -6.252 1.00 0.00 C ATOM 642 OD1 ASP A 46 -0.950 6.811 -6.198 1.00 0.00 O ATOM 643 OD2 ASP A 46 -0.728 4.912 -7.268 1.00 0.00 O ATOM 0 H ASP A 46 2.338 3.956 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 46 1.457 6.640 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.134 3.933 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.542 5.209 -4.152 1.00 0.00 H new ATOM 648 N VAL A 47 2.712 4.390 -3.065 1.00 0.00 N ATOM 649 CA VAL A 47 3.309 4.246 -1.744 1.00 0.00 C ATOM 650 C VAL A 47 4.570 5.095 -1.668 1.00 0.00 C ATOM 651 O VAL A 47 5.097 5.519 -2.700 1.00 0.00 O ATOM 652 CB VAL A 47 3.648 2.777 -1.404 1.00 0.00 C ATOM 653 CG1 VAL A 47 2.386 1.944 -1.318 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.602 2.177 -2.421 1.00 0.00 C ATOM 0 H VAL A 47 2.979 3.668 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 47 2.576 4.584 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 47 4.142 2.771 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.646 0.913 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.737 2.345 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.865 1.973 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.819 1.143 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.145 2.205 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.529 2.751 -2.433 1.00 0.00 H new ATOM 664 N SER A 48 5.052 5.361 -0.465 1.00 0.00 N ATOM 665 CA SER A 48 6.210 6.224 -0.316 1.00 0.00 C ATOM 666 C SER A 48 7.021 5.885 0.933 1.00 0.00 C ATOM 667 O SER A 48 8.044 5.205 0.856 1.00 0.00 O ATOM 668 CB SER A 48 5.762 7.693 -0.294 1.00 0.00 C ATOM 669 OG SER A 48 6.866 8.583 -0.197 1.00 0.00 O ATOM 0 H SER A 48 4.667 4.999 0.408 1.00 0.00 H new ATOM 0 HA SER A 48 6.865 6.060 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.197 7.914 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.090 7.855 0.549 1.00 0.00 H new ATOM 0 HG SER A 48 7.491 8.256 0.483 1.00 0.00 H new ATOM 675 N GLN A 49 6.552 6.336 2.083 1.00 0.00 N ATOM 676 CA GLN A 49 7.357 6.303 3.294 1.00 0.00 C ATOM 677 C GLN A 49 6.943 5.173 4.229 1.00 0.00 C ATOM 678 O GLN A 49 5.809 5.133 4.716 1.00 0.00 O ATOM 679 CB GLN A 49 7.271 7.646 4.019 1.00 0.00 C ATOM 680 CG GLN A 49 7.847 8.811 3.228 1.00 0.00 C ATOM 681 CD GLN A 49 9.144 8.457 2.528 1.00 0.00 C ATOM 682 OE1 GLN A 49 9.149 8.091 1.350 1.00 0.00 O ATOM 683 NE2 GLN A 49 10.244 8.513 3.258 1.00 0.00 N ATOM 0 H GLN A 49 5.619 6.729 2.205 1.00 0.00 H new ATOM 0 HA GLN A 49 8.388 6.116 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.227 7.857 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.798 7.569 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.117 9.139 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.019 9.652 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.196 8.821 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.141 8.248 2.850 1.00 0.00 H new ATOM 692 N ILE A 50 7.867 4.245 4.450 1.00 0.00 N ATOM 693 CA ILE A 50 7.653 3.134 5.371 1.00 0.00 C ATOM 694 C ILE A 50 8.949 2.856 6.148 1.00 0.00 C ATOM 695 O ILE A 50 9.121 1.795 6.749 1.00 0.00 O ATOM 696 CB ILE A 50 7.226 1.844 4.620 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.239 2.160 3.490 1.00 0.00 C ATOM 698 CG2 ILE A 50 6.594 0.854 5.592 1.00 0.00 C ATOM 699 CD1 ILE A 50 5.857 0.952 2.661 1.00 0.00 C ATOM 0 H ILE A 50 8.782 4.241 3.998 1.00 0.00 H new ATOM 0 HA ILE A 50 6.851 3.415 6.054 1.00 0.00 H new ATOM 0 HB ILE A 50 8.120 1.401 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.337 2.596 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.678 2.914 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.299 -0.047 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.315 0.594 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.715 1.306 6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.157 1.252 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.750 0.528 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.389 0.205 3.301 1.00 0.00 H new ATOM 711 N ILE A 51 9.863 3.823 6.138 1.00 0.00 N ATOM 712 CA ILE A 51 11.182 3.629 6.739 1.00 0.00 C ATOM 713 C ILE A 51 11.468 4.721 7.765 1.00 0.00 C ATOM 714 O ILE A 51 11.583 4.446 8.958 1.00 0.00 O ATOM 715 CB ILE A 51 12.327 3.620 5.686 1.00 0.00 C ATOM 716 CG1 ILE A 51 12.117 2.526 4.632 1.00 0.00 C ATOM 717 CG2 ILE A 51 13.676 3.433 6.368 1.00 0.00 C ATOM 718 CD1 ILE A 51 11.202 2.935 3.493 1.00 0.00 C ATOM 0 H ILE A 51 9.717 4.744 5.723 1.00 0.00 H new ATOM 0 HA ILE A 51 11.157 2.652 7.221 1.00 0.00 H new ATOM 0 HB ILE A 51 12.312 4.584 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.086 2.240 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.703 1.642 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.466 3.429 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 51 13.846 4.250 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.683 2.486 6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.104 2.108 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.220 3.192 3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.624 3.799 2.980 1.00 0.00 H new ATOM 730 N GLU A 52 11.610 5.953 7.277 1.00 0.00 N ATOM 731 CA GLU A 52 11.817 7.127 8.129 1.00 0.00 C ATOM 732 C GLU A 52 13.035 6.965 9.031 1.00 0.00 C ATOM 733 O GLU A 52 13.064 7.449 10.166 1.00 0.00 O ATOM 734 CB GLU A 52 10.547 7.421 8.935 1.00 0.00 C ATOM 735 CG GLU A 52 9.484 8.160 8.127 1.00 0.00 C ATOM 736 CD GLU A 52 9.623 7.937 6.631 1.00 0.00 C ATOM 737 OE1 GLU A 52 9.223 6.858 6.146 1.00 0.00 O ATOM 738 OE2 GLU A 52 10.168 8.831 5.944 1.00 0.00 O ATOM 0 H GLU A 52 11.585 6.167 6.280 1.00 0.00 H new ATOM 0 HA GLU A 52 12.022 7.984 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.130 6.482 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.809 8.016 9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.496 7.832 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.550 9.227 8.339 1.00 0.00 H new ATOM 745 N ARG A 53 14.039 6.285 8.487 1.00 0.00 N ATOM 746 CA ARG A 53 15.338 6.116 9.126 1.00 0.00 C ATOM 747 C ARG A 53 15.250 5.221 10.363 1.00 0.00 C ATOM 748 O ARG A 53 16.158 5.204 11.192 1.00 0.00 O ATOM 749 CB ARG A 53 15.944 7.478 9.472 1.00 0.00 C ATOM 750 CG ARG A 53 17.464 7.482 9.484 1.00 0.00 C ATOM 751 CD ARG A 53 18.010 8.883 9.693 1.00 0.00 C ATOM 752 NE ARG A 53 17.494 9.827 8.697 1.00 0.00 N ATOM 753 CZ ARG A 53 16.831 10.938 9.011 1.00 0.00 C ATOM 754 NH1 ARG A 53 16.623 11.246 10.284 1.00 0.00 N ATOM 755 NH2 ARG A 53 16.374 11.741 8.056 1.00 0.00 N ATOM 0 H ARG A 53 13.972 5.830 7.577 1.00 0.00 H new ATOM 0 HA ARG A 53 15.996 5.615 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.593 8.216 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.580 7.790 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.825 6.827 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.838 7.080 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.746 9.230 10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.098 8.860 9.641 1.00 0.00 H new ATOM 0 HE ARG A 53 17.651 9.622 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.971 10.632 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.115 12.097 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.530 11.508 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.867 12.591 8.304 1.00 0.00 H new TER 769 ARG A 53