USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 281 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ -166:sc=-0.00291 (180deg=-0.301) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-3.8!) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= -0.0152 (180deg=-0.575) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 0.716 26.690 6.372 1.00 0.00 N ATOM 2 CA THR A 1 1.664 25.596 6.508 1.00 0.00 C ATOM 3 C THR A 1 0.998 24.395 7.182 1.00 0.00 C ATOM 4 O THR A 1 1.298 23.249 6.851 1.00 0.00 O ATOM 5 CB THR A 1 2.884 26.120 7.267 1.00 0.00 C ATOM 6 OG1 THR A 1 3.491 27.037 6.360 1.00 0.00 O ATOM 7 CG2 THR A 1 3.951 25.043 7.476 1.00 0.00 C ATOM 0 H1 THR A 1 1.096 27.399 5.713 1.00 0.00 H new ATOM 0 H2 THR A 1 -0.186 26.324 6.005 1.00 0.00 H new ATOM 0 H3 THR A 1 0.558 27.130 7.301 1.00 0.00 H new ATOM 0 HA THR A 1 1.998 25.238 5.534 1.00 0.00 H new ATOM 0 HB THR A 1 2.568 26.511 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.290 27.425 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 1 4.795 25.468 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.528 24.218 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.291 24.675 6.508 1.00 0.00 H new ATOM 15 N SER A 2 0.108 24.698 8.115 1.00 0.00 N ATOM 16 CA SER A 2 -0.603 23.657 8.838 1.00 0.00 C ATOM 17 C SER A 2 -1.714 23.076 7.962 1.00 0.00 C ATOM 18 O SER A 2 -2.325 22.069 8.314 1.00 0.00 O ATOM 19 CB SER A 2 -1.185 24.195 10.147 1.00 0.00 C ATOM 20 OG SER A 2 -0.336 23.925 11.259 1.00 0.00 O ATOM 0 H SER A 2 -0.137 25.650 8.387 1.00 0.00 H new ATOM 0 HA SER A 2 0.106 22.867 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.338 25.271 10.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.163 23.747 10.320 1.00 0.00 H new ATOM 0 HG SER A 2 -0.741 24.285 12.075 1.00 0.00 H new ATOM 26 N SER A 3 -1.943 23.737 6.836 1.00 0.00 N ATOM 27 CA SER A 3 -2.970 23.299 5.907 1.00 0.00 C ATOM 28 C SER A 3 -2.456 22.122 5.075 1.00 0.00 C ATOM 29 O SER A 3 -3.242 21.401 4.461 1.00 0.00 O ATOM 30 CB SER A 3 -3.409 24.443 4.991 1.00 0.00 C ATOM 31 OG SER A 3 -4.828 24.549 4.910 1.00 0.00 O ATOM 0 H SER A 3 -1.434 24.573 6.547 1.00 0.00 H new ATOM 0 HA SER A 3 -3.837 22.978 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.996 25.382 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.000 24.286 3.993 1.00 0.00 H new ATOM 0 HG SER A 3 -5.067 25.292 4.317 1.00 0.00 H new ATOM 37 N ILE A 4 -1.141 21.962 5.083 1.00 0.00 N ATOM 38 CA ILE A 4 -0.513 20.885 4.338 1.00 0.00 C ATOM 39 C ILE A 4 -0.703 19.569 5.095 1.00 0.00 C ATOM 40 O ILE A 4 -1.297 18.628 4.572 1.00 0.00 O ATOM 41 CB ILE A 4 0.950 21.219 4.043 1.00 0.00 C ATOM 42 CG1 ILE A 4 1.067 22.531 3.264 1.00 0.00 C ATOM 43 CG2 ILE A 4 1.643 20.061 3.321 1.00 0.00 C ATOM 44 CD1 ILE A 4 2.474 23.119 3.388 1.00 0.00 C ATOM 0 H ILE A 4 -0.493 22.561 5.594 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.990 20.766 3.365 1.00 0.00 H new ATOM 0 HB ILE A 4 1.465 21.361 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.833 22.357 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.336 23.247 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.682 20.325 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.608 19.169 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.133 19.863 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.530 24.051 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.695 23.315 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.201 22.411 2.990 1.00 0.00 H new ATOM 56 N VAL A 5 -0.186 19.545 6.315 1.00 0.00 N ATOM 57 CA VAL A 5 -0.291 18.360 7.149 1.00 0.00 C ATOM 58 C VAL A 5 -1.685 17.751 6.989 1.00 0.00 C ATOM 59 O VAL A 5 -1.819 16.581 6.635 1.00 0.00 O ATOM 60 CB VAL A 5 0.046 18.710 8.600 1.00 0.00 C ATOM 61 CG1 VAL A 5 -0.265 17.538 9.533 1.00 0.00 C ATOM 62 CG2 VAL A 5 1.507 19.145 8.734 1.00 0.00 C ATOM 0 H VAL A 5 0.307 20.327 6.746 1.00 0.00 H new ATOM 0 HA VAL A 5 0.431 17.606 6.835 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.582 19.550 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.016 17.813 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.325 17.294 9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.325 16.671 9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.720 19.388 9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.159 18.334 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.684 20.023 8.113 1.00 0.00 H new ATOM 72 N HIS A 6 -2.689 18.573 7.259 1.00 0.00 N ATOM 73 CA HIS A 6 -4.069 18.130 7.150 1.00 0.00 C ATOM 74 C HIS A 6 -4.234 17.272 5.894 1.00 0.00 C ATOM 75 O HIS A 6 -4.646 16.115 5.977 1.00 0.00 O ATOM 76 CB HIS A 6 -5.027 19.322 7.183 1.00 0.00 C ATOM 77 CG HIS A 6 -6.475 18.953 6.966 1.00 0.00 C ATOM 78 ND1 HIS A 6 -7.138 18.026 7.751 1.00 0.00 N ATOM 79 CD2 HIS A 6 -7.379 19.396 6.046 1.00 0.00 C ATOM 80 CE1 HIS A 6 -8.384 17.923 7.313 1.00 0.00 C ATOM 81 NE2 HIS A 6 -8.532 18.773 6.257 1.00 0.00 N ATOM 0 H HIS A 6 -2.574 19.543 7.553 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.324 17.509 8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.931 19.825 8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.727 20.038 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.189 20.129 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.149 17.279 7.721 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.388 18.908 5.718 1.00 0.00 H new ATOM 90 N LEU A 7 -3.906 17.871 4.759 1.00 0.00 N ATOM 91 CA LEU A 7 -4.013 17.176 3.487 1.00 0.00 C ATOM 92 C LEU A 7 -3.411 15.776 3.624 1.00 0.00 C ATOM 93 O LEU A 7 -4.039 14.787 3.247 1.00 0.00 O ATOM 94 CB LEU A 7 -3.385 18.008 2.367 1.00 0.00 C ATOM 95 CG LEU A 7 -4.096 19.320 2.027 1.00 0.00 C ATOM 96 CD1 LEU A 7 -3.135 20.308 1.363 1.00 0.00 C ATOM 97 CD2 LEU A 7 -5.337 19.063 1.169 1.00 0.00 C ATOM 0 H LEU A 7 -3.566 18.830 4.693 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.059 17.048 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.356 18.237 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.344 17.396 1.466 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.435 19.777 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.665 21.232 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.309 20.524 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.745 19.873 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.824 20.011 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.042 18.574 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.029 18.421 1.714 1.00 0.00 H new ATOM 109 N CYS A 8 -2.202 15.736 4.164 1.00 0.00 N ATOM 110 CA CYS A 8 -1.509 14.474 4.355 1.00 0.00 C ATOM 111 C CYS A 8 -2.494 13.471 4.958 1.00 0.00 C ATOM 112 O CYS A 8 -2.807 12.454 4.341 1.00 0.00 O ATOM 113 CB CYS A 8 -0.260 14.639 5.223 1.00 0.00 C ATOM 114 SG CYS A 8 0.895 13.250 4.931 1.00 0.00 S ATOM 0 H CYS A 8 -1.685 16.558 4.475 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.156 14.102 3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.230 15.585 4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.541 14.674 6.276 1.00 0.00 H new ATOM 0 HG CYS A 8 1.953 13.402 5.672 1.00 0.00 H new ATOM 120 N ALA A 9 -2.956 13.792 6.158 1.00 0.00 N ATOM 121 CA ALA A 9 -3.900 12.932 6.851 1.00 0.00 C ATOM 122 C ALA A 9 -4.934 12.407 5.853 1.00 0.00 C ATOM 123 O ALA A 9 -5.057 11.199 5.660 1.00 0.00 O ATOM 124 CB ALA A 9 -4.543 13.706 8.004 1.00 0.00 C ATOM 0 H ALA A 9 -2.694 14.636 6.668 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.390 12.070 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.251 13.062 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.770 14.031 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.067 14.577 7.610 1.00 0.00 H new ATOM 130 N ILE A 10 -5.650 13.341 5.245 1.00 0.00 N ATOM 131 CA ILE A 10 -6.669 12.988 4.271 1.00 0.00 C ATOM 132 C ILE A 10 -6.143 11.866 3.373 1.00 0.00 C ATOM 133 O ILE A 10 -6.785 10.827 3.231 1.00 0.00 O ATOM 134 CB ILE A 10 -7.128 14.228 3.502 1.00 0.00 C ATOM 135 CG1 ILE A 10 -7.883 15.193 4.418 1.00 0.00 C ATOM 136 CG2 ILE A 10 -7.954 13.837 2.275 1.00 0.00 C ATOM 137 CD1 ILE A 10 -7.673 16.644 3.979 1.00 0.00 C ATOM 0 H ILE A 10 -5.545 14.342 5.408 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.558 12.605 4.772 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.244 14.753 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.947 14.956 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.541 15.067 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.268 14.737 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.350 13.218 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.834 13.277 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.220 17.309 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.611 16.886 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.038 16.772 2.960 1.00 0.00 H new ATOM 149 N SER A 11 -4.979 12.115 2.790 1.00 0.00 N ATOM 150 CA SER A 11 -4.359 11.140 1.910 1.00 0.00 C ATOM 151 C SER A 11 -3.127 10.534 2.585 1.00 0.00 C ATOM 152 O SER A 11 -1.997 10.885 2.251 1.00 0.00 O ATOM 153 CB SER A 11 -3.974 11.772 0.571 1.00 0.00 C ATOM 154 OG SER A 11 -4.985 11.590 -0.416 1.00 0.00 O ATOM 0 H SER A 11 -4.449 12.978 2.910 1.00 0.00 H new ATOM 0 HA SER A 11 -5.083 10.349 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.793 12.838 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.040 11.334 0.219 1.00 0.00 H new ATOM 0 HG SER A 11 -4.702 12.009 -1.255 1.00 0.00 H new ATOM 160 N LEU A 12 -3.388 9.634 3.522 1.00 0.00 N ATOM 161 CA LEU A 12 -2.314 8.976 4.247 1.00 0.00 C ATOM 162 C LEU A 12 -2.892 7.825 5.072 1.00 0.00 C ATOM 163 O LEU A 12 -2.575 6.662 4.830 1.00 0.00 O ATOM 164 CB LEU A 12 -1.526 9.992 5.076 1.00 0.00 C ATOM 165 CG LEU A 12 -0.457 9.414 6.006 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.840 9.136 5.244 1.00 0.00 C ATOM 167 CD2 LEU A 12 -0.229 10.327 7.212 1.00 0.00 C ATOM 0 H LEU A 12 -4.327 9.345 3.796 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.596 8.541 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.045 10.693 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.231 10.565 5.678 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.816 8.459 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.583 8.726 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.647 8.419 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.216 10.065 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.535 9.894 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.100 11.308 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.159 10.431 7.771 1.00 0.00 H new ATOM 179 N ILE A 13 -3.731 8.189 6.031 1.00 0.00 N ATOM 180 CA ILE A 13 -4.357 7.202 6.893 1.00 0.00 C ATOM 181 C ILE A 13 -4.925 6.069 6.036 1.00 0.00 C ATOM 182 O ILE A 13 -4.451 4.936 6.104 1.00 0.00 O ATOM 183 CB ILE A 13 -5.394 7.864 7.802 1.00 0.00 C ATOM 184 CG1 ILE A 13 -4.733 8.873 8.744 1.00 0.00 C ATOM 185 CG2 ILE A 13 -6.205 6.814 8.565 1.00 0.00 C ATOM 186 CD1 ILE A 13 -5.743 9.916 9.227 1.00 0.00 C ATOM 0 H ILE A 13 -3.992 9.155 6.230 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.619 6.758 7.561 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.093 8.418 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.306 8.351 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.909 9.370 8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.935 7.311 9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.724 6.169 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.535 6.213 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.247 10.621 9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.150 10.453 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.553 9.418 9.761 1.00 0.00 H new ATOM 198 N ARG A 14 -5.933 6.414 5.248 1.00 0.00 N ATOM 199 CA ARG A 14 -6.571 5.441 4.379 1.00 0.00 C ATOM 200 C ARG A 14 -5.515 4.591 3.668 1.00 0.00 C ATOM 201 O ARG A 14 -5.735 3.409 3.410 1.00 0.00 O ATOM 202 CB ARG A 14 -7.451 6.129 3.333 1.00 0.00 C ATOM 203 CG ARG A 14 -8.831 5.473 3.260 1.00 0.00 C ATOM 204 CD ARG A 14 -9.000 4.696 1.952 1.00 0.00 C ATOM 205 NE ARG A 14 -10.039 5.335 1.115 1.00 0.00 N ATOM 206 CZ ARG A 14 -11.356 5.150 1.279 1.00 0.00 C ATOM 207 NH1 ARG A 14 -11.803 4.343 2.251 1.00 0.00 N ATOM 208 NH2 ARG A 14 -12.226 5.772 0.472 1.00 0.00 N ATOM 0 H ARG A 14 -6.323 7.355 5.194 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.198 4.802 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.559 7.185 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.969 6.079 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.963 4.800 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.605 6.237 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.054 4.666 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.277 3.664 2.166 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.734 5.956 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.141 3.870 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.805 4.202 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.886 6.387 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.228 5.631 0.597 1.00 0.00 H new ATOM 222 N TYR A 15 -4.391 5.228 3.372 1.00 0.00 N ATOM 223 CA TYR A 15 -3.301 4.546 2.696 1.00 0.00 C ATOM 224 C TYR A 15 -2.086 4.408 3.616 1.00 0.00 C ATOM 225 O TYR A 15 -0.948 4.557 3.174 1.00 0.00 O ATOM 226 CB TYR A 15 -2.925 5.429 1.504 1.00 0.00 C ATOM 227 CG TYR A 15 -4.009 5.516 0.428 1.00 0.00 C ATOM 228 CD1 TYR A 15 -4.537 4.362 -0.114 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.459 6.748 0.000 1.00 0.00 C ATOM 230 CE1 TYR A 15 -5.558 4.444 -1.127 1.00 0.00 C ATOM 231 CE2 TYR A 15 -5.480 6.830 -1.013 1.00 0.00 C ATOM 232 CZ TYR A 15 -5.978 5.674 -1.526 1.00 0.00 C ATOM 233 OH TYR A 15 -6.942 5.751 -2.483 1.00 0.00 O ATOM 0 H TYR A 15 -4.212 6.209 3.588 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.604 3.543 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.704 6.434 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.010 5.043 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.185 3.398 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.046 7.651 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.980 3.549 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.841 7.788 -1.357 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.144 6.692 -2.668 1.00 0.00 H new ATOM 243 N TRP A 16 -2.370 4.125 4.879 1.00 0.00 N ATOM 244 CA TRP A 16 -1.315 3.966 5.866 1.00 0.00 C ATOM 245 C TRP A 16 -0.769 2.541 5.748 1.00 0.00 C ATOM 246 O TRP A 16 0.433 2.320 5.888 1.00 0.00 O ATOM 247 CB TRP A 16 -1.823 4.297 7.270 1.00 0.00 C ATOM 248 CG TRP A 16 -2.464 3.113 7.996 1.00 0.00 C ATOM 249 CD1 TRP A 16 -3.684 2.591 7.806 1.00 0.00 C ATOM 250 CD2 TRP A 16 -1.865 2.318 9.041 1.00 0.00 C ATOM 251 NE1 TRP A 16 -3.914 1.523 8.649 1.00 0.00 N ATOM 252 CE2 TRP A 16 -2.773 1.352 9.424 1.00 0.00 C ATOM 253 CE3 TRP A 16 -0.599 2.413 9.644 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -2.511 0.407 10.423 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -0.352 1.462 10.641 1.00 0.00 C ATOM 256 CH2 TRP A 16 -1.255 0.483 11.038 1.00 0.00 C ATOM 0 H TRP A 16 -3.315 4.002 5.242 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.502 4.667 5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.991 4.669 7.868 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.552 5.105 7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.397 2.960 7.084 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.765 0.962 8.695 1.00 0.00 H new ATOM 0 HE3 TRP A 16 0.126 3.161 9.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -3.238 -0.340 10.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.607 1.491 11.136 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -0.989 -0.216 11.817 1.00 0.00 H new ATOM 267 N SER A 17 -1.679 1.613 5.492 1.00 0.00 N ATOM 268 CA SER A 17 -1.304 0.216 5.354 1.00 0.00 C ATOM 269 C SER A 17 -0.497 0.015 4.069 1.00 0.00 C ATOM 270 O SER A 17 -0.917 -0.720 3.177 1.00 0.00 O ATOM 271 CB SER A 17 -2.538 -0.689 5.353 1.00 0.00 C ATOM 272 OG SER A 17 -2.224 -2.020 5.751 1.00 0.00 O ATOM 0 H SER A 17 -2.675 1.801 5.377 1.00 0.00 H new ATOM 0 HA SER A 17 -0.687 -0.058 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.290 -0.277 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.977 -0.703 4.355 1.00 0.00 H new ATOM 0 HG SER A 17 -3.038 -2.566 5.739 1.00 0.00 H new ATOM 278 N ILE A 18 0.647 0.681 4.016 1.00 0.00 N ATOM 279 CA ILE A 18 1.516 0.585 2.856 1.00 0.00 C ATOM 280 C ILE A 18 2.975 0.666 3.308 1.00 0.00 C ATOM 281 O ILE A 18 3.805 -0.139 2.888 1.00 0.00 O ATOM 282 CB ILE A 18 1.136 1.639 1.813 1.00 0.00 C ATOM 283 CG1 ILE A 18 1.284 1.085 0.395 1.00 0.00 C ATOM 284 CG2 ILE A 18 1.941 2.924 2.014 1.00 0.00 C ATOM 285 CD1 ILE A 18 -0.058 1.095 -0.341 1.00 0.00 C ATOM 0 H ILE A 18 0.992 1.290 4.758 1.00 0.00 H new ATOM 0 HA ILE A 18 1.388 -0.379 2.363 1.00 0.00 H new ATOM 0 HB ILE A 18 0.085 1.893 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.010 1.681 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.672 0.067 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.652 3.656 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.741 3.327 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.005 2.706 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.076 0.696 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.775 0.479 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.431 2.117 -0.403 1.00 0.00 H new ATOM 297 N THR A 19 3.243 1.645 4.160 1.00 0.00 N ATOM 298 CA THR A 19 4.588 1.842 4.674 1.00 0.00 C ATOM 299 C THR A 19 5.176 0.513 5.153 1.00 0.00 C ATOM 300 O THR A 19 6.374 0.273 5.012 1.00 0.00 O ATOM 301 CB THR A 19 4.524 2.908 5.770 1.00 0.00 C ATOM 302 OG1 THR A 19 5.846 3.437 5.817 1.00 0.00 O ATOM 303 CG2 THR A 19 4.314 2.306 7.161 1.00 0.00 C ATOM 0 H THR A 19 2.552 2.310 4.507 1.00 0.00 H new ATOM 0 HA THR A 19 5.261 2.197 3.894 1.00 0.00 H new ATOM 0 HB THR A 19 3.716 3.606 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.894 4.137 6.501 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.276 3.105 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.377 1.750 7.179 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.139 1.634 7.395 1.00 0.00 H new ATOM 311 N GLN A 20 4.305 -0.317 5.709 1.00 0.00 N ATOM 312 CA GLN A 20 4.722 -1.615 6.209 1.00 0.00 C ATOM 313 C GLN A 20 5.704 -2.269 5.235 1.00 0.00 C ATOM 314 O GLN A 20 6.583 -3.025 5.647 1.00 0.00 O ATOM 315 CB GLN A 20 3.514 -2.521 6.459 1.00 0.00 C ATOM 316 CG GLN A 20 2.836 -2.175 7.786 1.00 0.00 C ATOM 317 CD GLN A 20 2.522 -3.440 8.588 1.00 0.00 C ATOM 318 OE1 GLN A 20 3.282 -3.871 9.439 1.00 0.00 O ATOM 319 NE2 GLN A 20 1.363 -4.009 8.268 1.00 0.00 N ATOM 0 H GLN A 20 3.312 -0.115 5.824 1.00 0.00 H new ATOM 0 HA GLN A 20 5.229 -1.469 7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.800 -2.414 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.832 -3.563 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.484 -1.521 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.915 -1.623 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.774 -3.595 7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.063 -4.859 8.746 1.00 0.00 H new ATOM 328 N ALA A 21 5.523 -1.953 3.961 1.00 0.00 N ATOM 329 CA ALA A 21 6.383 -2.500 2.925 1.00 0.00 C ATOM 330 C ALA A 21 7.184 -1.366 2.282 1.00 0.00 C ATOM 331 O ALA A 21 7.115 -1.162 1.071 1.00 0.00 O ATOM 332 CB ALA A 21 5.533 -3.264 1.907 1.00 0.00 C ATOM 0 H ALA A 21 4.794 -1.325 3.623 1.00 0.00 H new ATOM 0 HA ALA A 21 7.096 -3.207 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.178 -3.674 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.007 -4.076 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.808 -2.586 1.457 1.00 0.00 H new ATOM 338 N ILE A 22 7.926 -0.659 3.121 1.00 0.00 N ATOM 339 CA ILE A 22 8.739 0.449 2.650 1.00 0.00 C ATOM 340 C ILE A 22 10.042 0.497 3.451 1.00 0.00 C ATOM 341 O ILE A 22 11.128 0.388 2.884 1.00 0.00 O ATOM 342 CB ILE A 22 7.942 1.755 2.692 1.00 0.00 C ATOM 343 CG1 ILE A 22 6.882 1.786 1.589 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.873 2.967 2.627 1.00 0.00 C ATOM 345 CD1 ILE A 22 6.070 3.082 1.646 1.00 0.00 C ATOM 0 H ILE A 22 7.981 -0.832 4.125 1.00 0.00 H new ATOM 0 HA ILE A 22 9.012 0.303 1.605 1.00 0.00 H new ATOM 0 HB ILE A 22 7.416 1.804 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.363 1.696 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.216 0.930 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.282 3.882 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.556 2.947 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.446 2.937 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.324 3.079 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.571 3.157 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.736 3.935 1.515 1.00 0.00 H new ATOM 357 N GLU A 23 9.890 0.662 4.757 1.00 0.00 N ATOM 358 CA GLU A 23 11.041 0.726 5.642 1.00 0.00 C ATOM 359 C GLU A 23 11.436 -0.680 6.100 1.00 0.00 C ATOM 360 O GLU A 23 12.575 -1.102 5.905 1.00 0.00 O ATOM 361 CB GLU A 23 10.761 1.635 6.840 1.00 0.00 C ATOM 362 CG GLU A 23 11.965 1.687 7.782 1.00 0.00 C ATOM 363 CD GLU A 23 11.557 1.334 9.214 1.00 0.00 C ATOM 364 OE1 GLU A 23 11.065 0.201 9.401 1.00 0.00 O ATOM 365 OE2 GLU A 23 11.747 2.207 10.089 1.00 0.00 O ATOM 0 H GLU A 23 8.988 0.753 5.224 1.00 0.00 H new ATOM 0 HA GLU A 23 11.877 1.156 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.524 2.640 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.887 1.271 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.731 0.993 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.405 2.684 7.761 1.00 0.00 H new ATOM 372 N TYR A 24 10.474 -1.365 6.700 1.00 0.00 N ATOM 373 CA TYR A 24 10.708 -2.713 7.188 1.00 0.00 C ATOM 374 C TYR A 24 11.564 -3.512 6.203 1.00 0.00 C ATOM 375 O TYR A 24 12.591 -4.074 6.581 1.00 0.00 O ATOM 376 CB TYR A 24 9.329 -3.368 7.294 1.00 0.00 C ATOM 377 CG TYR A 24 8.887 -3.657 8.730 1.00 0.00 C ATOM 378 CD1 TYR A 24 8.997 -2.678 9.696 1.00 0.00 C ATOM 379 CD2 TYR A 24 8.377 -4.897 9.059 1.00 0.00 C ATOM 380 CE1 TYR A 24 8.580 -2.949 11.047 1.00 0.00 C ATOM 381 CE2 TYR A 24 7.960 -5.168 10.410 1.00 0.00 C ATOM 382 CZ TYR A 24 8.082 -4.181 11.337 1.00 0.00 C ATOM 383 OH TYR A 24 7.689 -4.438 12.614 1.00 0.00 O ATOM 0 H TYR A 24 9.531 -1.012 6.859 1.00 0.00 H new ATOM 0 HA TYR A 24 11.235 -2.690 8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.592 -2.718 6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.337 -4.302 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.396 -1.708 9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.291 -5.664 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.661 -2.192 11.813 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.559 -6.134 10.681 1.00 0.00 H new ATOM 0 HH TYR A 24 7.353 -5.357 12.674 1.00 0.00 H new ATOM 393 N ASN A 25 11.111 -3.536 4.958 1.00 0.00 N ATOM 394 CA ASN A 25 11.822 -4.256 3.916 1.00 0.00 C ATOM 395 C ASN A 25 13.256 -3.729 3.826 1.00 0.00 C ATOM 396 O ASN A 25 14.197 -4.504 3.665 1.00 0.00 O ATOM 397 CB ASN A 25 11.157 -4.052 2.553 1.00 0.00 C ATOM 398 CG ASN A 25 11.419 -5.245 1.631 1.00 0.00 C ATOM 399 OD1 ASN A 25 12.388 -5.289 0.891 1.00 0.00 O ATOM 400 ND2 ASN A 25 10.504 -6.206 1.718 1.00 0.00 N ATOM 0 H ASN A 25 10.260 -3.068 4.648 1.00 0.00 H new ATOM 0 HA ASN A 25 11.808 -5.316 4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.083 -3.918 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.537 -3.141 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.589 -7.045 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.717 -6.104 2.359 1.00 0.00 H new ATOM 407 N LEU A 26 13.377 -2.414 3.933 1.00 0.00 N ATOM 408 CA LEU A 26 14.680 -1.774 3.866 1.00 0.00 C ATOM 409 C LEU A 26 15.653 -2.511 4.788 1.00 0.00 C ATOM 410 O LEU A 26 16.765 -2.847 4.383 1.00 0.00 O ATOM 411 CB LEU A 26 14.559 -0.279 4.167 1.00 0.00 C ATOM 412 CG LEU A 26 15.660 0.613 3.588 1.00 0.00 C ATOM 413 CD1 LEU A 26 17.033 0.211 4.130 1.00 0.00 C ATOM 414 CD2 LEU A 26 15.623 0.606 2.058 1.00 0.00 C ATOM 0 H LEU A 26 12.594 -1.774 4.066 1.00 0.00 H new ATOM 0 HA LEU A 26 15.086 -1.840 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.599 0.071 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.543 -0.146 5.249 1.00 0.00 H new ATOM 0 HG LEU A 26 15.474 1.638 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.797 0.860 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.039 0.309 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.243 -0.824 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.415 1.247 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.770 -0.411 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.657 0.977 1.716 1.00 0.00 H new ATOM 426 N LYS A 27 15.200 -2.740 6.012 1.00 0.00 N ATOM 427 CA LYS A 27 16.017 -3.430 6.996 1.00 0.00 C ATOM 428 C LYS A 27 15.272 -4.673 7.489 1.00 0.00 C ATOM 429 O LYS A 27 14.762 -5.454 6.687 1.00 0.00 O ATOM 430 CB LYS A 27 16.427 -2.474 8.117 1.00 0.00 C ATOM 431 CG LYS A 27 17.638 -3.014 8.882 1.00 0.00 C ATOM 432 CD LYS A 27 17.756 -2.355 10.258 1.00 0.00 C ATOM 433 CE LYS A 27 16.967 -3.138 11.309 1.00 0.00 C ATOM 434 NZ LYS A 27 15.635 -2.526 11.519 1.00 0.00 N ATOM 0 H LYS A 27 14.277 -2.460 6.345 1.00 0.00 H new ATOM 0 HA LYS A 27 16.948 -3.773 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.664 -1.496 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.592 -2.333 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.547 -4.094 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.546 -2.831 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.805 -2.301 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.386 -1.331 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.852 -4.174 10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.519 -3.154 12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.553 -2.202 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.520 -1.716 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.895 -3.230 11.324 1.00 0.00 H new ATOM 448 N ARG A 28 15.233 -4.817 8.805 1.00 0.00 N ATOM 449 CA ARG A 28 14.560 -5.951 9.414 1.00 0.00 C ATOM 450 C ARG A 28 15.188 -7.262 8.935 1.00 0.00 C ATOM 451 O ARG A 28 15.766 -7.317 7.851 1.00 0.00 O ATOM 452 CB ARG A 28 13.068 -5.954 9.073 1.00 0.00 C ATOM 453 CG ARG A 28 12.287 -6.849 10.037 1.00 0.00 C ATOM 454 CD ARG A 28 10.780 -6.626 9.894 1.00 0.00 C ATOM 455 NE ARG A 28 10.209 -7.618 8.955 1.00 0.00 N ATOM 456 CZ ARG A 28 10.189 -7.467 7.624 1.00 0.00 C ATOM 457 NH1 ARG A 28 10.707 -6.365 7.066 1.00 0.00 N ATOM 458 NH2 ARG A 28 9.649 -8.419 6.850 1.00 0.00 N ATOM 0 H ARG A 28 15.657 -4.167 9.467 1.00 0.00 H new ATOM 0 HA ARG A 28 14.674 -5.863 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.679 -4.937 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.926 -6.304 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.524 -7.895 9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.593 -6.640 11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.297 -6.714 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.586 -5.616 9.532 1.00 0.00 H new ATOM 0 HE ARG A 28 9.806 -8.469 9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.117 -5.640 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.691 -6.251 6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.254 -9.258 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.634 -8.304 5.837 1.00 0.00 H new ATOM 472 N THR A 29 15.054 -8.284 9.768 1.00 0.00 N ATOM 473 CA THR A 29 15.602 -9.590 9.443 1.00 0.00 C ATOM 474 C THR A 29 14.614 -10.693 9.828 1.00 0.00 C ATOM 475 O THR A 29 13.771 -10.499 10.702 1.00 0.00 O ATOM 476 CB THR A 29 16.959 -9.720 10.138 1.00 0.00 C ATOM 477 OG1 THR A 29 17.789 -10.347 9.164 1.00 0.00 O ATOM 478 CG2 THR A 29 16.929 -10.716 11.299 1.00 0.00 C ATOM 0 H THR A 29 14.574 -8.234 10.667 1.00 0.00 H new ATOM 0 HA THR A 29 15.759 -9.697 8.370 1.00 0.00 H new ATOM 0 HB THR A 29 17.274 -8.743 10.506 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.690 -10.468 9.531 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.916 -10.770 11.757 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.202 -10.387 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.647 -11.701 10.926 1.00 0.00 H new ATOM 486 N PRO A 30 14.754 -11.856 9.137 1.00 0.00 N ATOM 487 CA PRO A 30 13.884 -12.990 9.398 1.00 0.00 C ATOM 488 C PRO A 30 14.263 -13.683 10.709 1.00 0.00 C ATOM 489 O PRO A 30 15.328 -13.423 11.266 1.00 0.00 O ATOM 490 CB PRO A 30 14.039 -13.892 8.184 1.00 0.00 C ATOM 491 CG PRO A 30 15.331 -13.463 7.508 1.00 0.00 C ATOM 492 CD PRO A 30 15.741 -12.122 8.094 1.00 0.00 C ATOM 0 HA PRO A 30 12.842 -12.698 9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.082 -14.940 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.191 -13.786 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.112 -14.206 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.189 -13.381 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.750 -12.161 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.736 -11.340 7.335 1.00 0.00 H new ATOM 500 N ARG A 31 13.370 -14.550 11.162 1.00 0.00 N ATOM 501 CA ARG A 31 13.597 -15.281 12.397 1.00 0.00 C ATOM 502 C ARG A 31 12.693 -16.514 12.458 1.00 0.00 C ATOM 503 O ARG A 31 11.525 -16.414 12.831 1.00 0.00 O ATOM 504 CB ARG A 31 13.327 -14.398 13.618 1.00 0.00 C ATOM 505 CG ARG A 31 14.568 -13.587 13.993 1.00 0.00 C ATOM 506 CD ARG A 31 14.444 -13.017 15.407 1.00 0.00 C ATOM 507 NE ARG A 31 15.752 -12.494 15.859 1.00 0.00 N ATOM 508 CZ ARG A 31 16.030 -12.159 17.127 1.00 0.00 C ATOM 509 NH1 ARG A 31 15.093 -12.289 18.075 1.00 0.00 N ATOM 510 NH2 ARG A 31 17.245 -11.692 17.445 1.00 0.00 N ATOM 0 H ARG A 31 12.488 -14.763 10.696 1.00 0.00 H new ATOM 0 HA ARG A 31 14.642 -15.591 12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.497 -13.723 13.407 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.026 -15.020 14.461 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.453 -14.220 13.928 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.705 -12.774 13.280 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.700 -12.221 15.423 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.097 -13.792 16.091 1.00 0.00 H new ATOM 0 HE ARG A 31 16.488 -12.381 15.162 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.168 -12.643 17.832 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.305 -12.034 19.040 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.958 -11.591 16.722 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.457 -11.437 18.410 1.00 0.00 H new ATOM 524 N ARG A 32 13.268 -17.648 12.085 1.00 0.00 N ATOM 525 CA ARG A 32 12.529 -18.899 12.093 1.00 0.00 C ATOM 526 C ARG A 32 11.161 -18.711 11.434 1.00 0.00 C ATOM 527 O ARG A 32 11.023 -17.932 10.492 1.00 0.00 O ATOM 528 CB ARG A 32 12.334 -19.415 13.520 1.00 0.00 C ATOM 529 CG ARG A 32 12.494 -20.936 13.580 1.00 0.00 C ATOM 530 CD ARG A 32 11.478 -21.556 14.541 1.00 0.00 C ATOM 531 NE ARG A 32 12.172 -22.423 15.520 1.00 0.00 N ATOM 532 CZ ARG A 32 12.520 -23.695 15.282 1.00 0.00 C ATOM 533 NH1 ARG A 32 12.241 -24.256 14.098 1.00 0.00 N ATOM 534 NH2 ARG A 32 13.147 -24.406 16.229 1.00 0.00 N ATOM 0 H ARG A 32 14.237 -17.727 11.775 1.00 0.00 H new ATOM 0 HA ARG A 32 13.109 -19.631 11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.059 -18.943 14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.344 -19.135 13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.363 -21.359 12.584 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.505 -21.187 13.902 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.931 -20.770 15.062 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.745 -22.138 13.983 1.00 0.00 H new ATOM 0 HE ARG A 32 12.399 -22.028 16.432 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.763 -23.715 13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.506 -25.224 13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.359 -23.979 17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.412 -25.374 16.048 1.00 0.00 H new TER 548 ARG A 32