USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 16 GLN : amide:sc= -0.804 K(o=-0.8,f=-2.3) USER MOD Single : A 18 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 26 ASN : amide:sc= -2.97! C(o=-3!,f=-6.2!) USER MOD Single : A 28 THR OG1 : rot 6:sc= -0.0265 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.0067) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 48 MET CE :methyl 162:sc= -0.124 (180deg=-0.638) USER MOD Single : A 54 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.33) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -43:sc= 0.742 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.297 3.270 4.706 1.00 0.00 N ATOM 2 CA GLY A 10 10.244 4.187 5.143 1.00 0.00 C ATOM 3 C GLY A 10 9.271 4.579 4.043 1.00 0.00 C ATOM 4 O GLY A 10 8.424 3.775 3.649 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.688 3.724 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.705 5.089 5.545 1.00 0.00 H new ATOM 8 N PRO A 11 9.352 5.830 3.549 1.00 0.00 N ATOM 9 CA PRO A 11 8.523 6.298 2.439 1.00 0.00 C ATOM 10 C PRO A 11 8.942 5.644 1.130 1.00 0.00 C ATOM 11 O PRO A 11 10.132 5.506 0.842 1.00 0.00 O ATOM 12 CB PRO A 11 8.777 7.810 2.377 1.00 0.00 C ATOM 13 CG PRO A 11 9.569 8.145 3.599 1.00 0.00 C ATOM 14 CD PRO A 11 10.258 6.880 4.024 1.00 0.00 C ATOM 0 HA PRO A 11 7.471 6.052 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.324 8.077 1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.838 8.363 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.296 8.929 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.920 8.518 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.248 6.791 3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.392 6.838 5.105 1.00 0.00 H new ATOM 22 N PHE A 12 7.968 5.270 0.327 1.00 0.00 N ATOM 23 CA PHE A 12 8.239 4.515 -0.889 1.00 0.00 C ATOM 24 C PHE A 12 8.118 5.368 -2.126 1.00 0.00 C ATOM 25 O PHE A 12 7.970 6.587 -2.054 1.00 0.00 O ATOM 26 CB PHE A 12 7.318 3.296 -0.998 1.00 0.00 C ATOM 27 CG PHE A 12 5.850 3.580 -0.793 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.307 3.585 0.482 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.009 3.814 -1.872 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.962 3.818 0.678 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.661 4.051 -1.675 1.00 0.00 C ATOM 32 CZ PHE A 12 3.141 4.052 -0.400 1.00 0.00 C ATOM 0 H PHE A 12 6.982 5.474 0.490 1.00 0.00 H new ATOM 0 HA PHE A 12 9.271 4.172 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.451 2.847 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.634 2.555 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.946 3.404 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.411 3.811 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.554 3.817 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.016 4.235 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.088 4.237 -0.247 1.00 0.00 H new ATOM 42 N THR A 13 8.255 4.708 -3.255 1.00 0.00 N ATOM 43 CA THR A 13 8.178 5.347 -4.539 1.00 0.00 C ATOM 44 C THR A 13 7.135 4.638 -5.408 1.00 0.00 C ATOM 45 O THR A 13 6.724 3.523 -5.090 1.00 0.00 O ATOM 46 CB THR A 13 9.558 5.316 -5.209 1.00 0.00 C ATOM 47 OG1 THR A 13 10.577 5.480 -4.212 1.00 0.00 O ATOM 48 CG2 THR A 13 9.680 6.433 -6.212 1.00 0.00 C ATOM 0 H THR A 13 8.424 3.703 -3.302 1.00 0.00 H new ATOM 0 HA THR A 13 7.873 6.386 -4.416 1.00 0.00 H new ATOM 0 HB THR A 13 9.676 4.359 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.459 5.459 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.665 6.397 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.912 6.321 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.552 7.391 -5.707 1.00 0.00 H new ATOM 56 N ARG A 14 6.714 5.290 -6.487 1.00 0.00 N ATOM 57 CA ARG A 14 5.705 4.743 -7.397 1.00 0.00 C ATOM 58 C ARG A 14 6.067 3.332 -7.843 1.00 0.00 C ATOM 59 O ARG A 14 5.284 2.394 -7.674 1.00 0.00 O ATOM 60 CB ARG A 14 5.568 5.661 -8.609 1.00 0.00 C ATOM 61 CG ARG A 14 4.363 5.365 -9.487 1.00 0.00 C ATOM 62 CD ARG A 14 4.094 6.512 -10.448 1.00 0.00 C ATOM 63 NE ARG A 14 2.925 6.271 -11.293 1.00 0.00 N ATOM 64 CZ ARG A 14 1.665 6.446 -10.896 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.395 6.835 -9.657 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.666 6.240 -11.739 1.00 0.00 N ATOM 0 H ARG A 14 7.060 6.211 -6.758 1.00 0.00 H new ATOM 0 HA ARG A 14 4.754 4.688 -6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.506 6.693 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.471 5.582 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.535 4.447 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.486 5.196 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.945 7.430 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.969 6.666 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 14 3.084 5.948 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.155 7.003 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.427 6.966 -9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.859 5.946 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.297 6.375 -11.431 1.00 0.00 H new ATOM 80 N ARG A 15 7.257 3.195 -8.411 1.00 0.00 N ATOM 81 CA ARG A 15 7.769 1.899 -8.841 1.00 0.00 C ATOM 82 C ARG A 15 7.798 0.896 -7.684 1.00 0.00 C ATOM 83 O ARG A 15 7.381 -0.260 -7.829 1.00 0.00 O ATOM 84 CB ARG A 15 9.177 2.066 -9.408 1.00 0.00 C ATOM 85 CG ARG A 15 9.239 2.843 -10.715 1.00 0.00 C ATOM 86 CD ARG A 15 10.673 2.984 -11.191 1.00 0.00 C ATOM 87 NE ARG A 15 11.335 1.685 -11.266 1.00 0.00 N ATOM 88 CZ ARG A 15 12.478 1.397 -10.646 1.00 0.00 C ATOM 89 NH1 ARG A 15 13.122 2.332 -9.953 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.970 0.169 -10.709 1.00 0.00 N ATOM 0 H ARG A 15 7.892 3.973 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 15 7.101 1.510 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.796 2.573 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.612 1.079 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.647 2.333 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.798 3.830 -10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.688 3.460 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.222 3.636 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 15 10.896 0.955 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.741 3.276 -9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.997 2.105 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.474 -0.553 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.845 -0.055 -10.235 1.00 0.00 H new ATOM 104 N GLN A 16 8.292 1.347 -6.537 1.00 0.00 N ATOM 105 CA GLN A 16 8.388 0.501 -5.350 1.00 0.00 C ATOM 106 C GLN A 16 7.015 -0.016 -4.937 1.00 0.00 C ATOM 107 O GLN A 16 6.848 -1.206 -4.684 1.00 0.00 O ATOM 108 CB GLN A 16 9.030 1.276 -4.193 1.00 0.00 C ATOM 109 CG GLN A 16 10.553 1.247 -4.178 1.00 0.00 C ATOM 110 CD GLN A 16 11.179 1.644 -5.501 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.399 2.823 -5.771 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.480 0.661 -6.331 1.00 0.00 N ATOM 0 H GLN A 16 8.634 2.298 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 16 9.017 -0.355 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.700 2.314 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.663 0.868 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.914 1.918 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.887 0.244 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.282 -0.305 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.911 0.868 -7.232 1.00 0.00 H new ATOM 121 N ALA A 17 6.037 0.880 -4.894 1.00 0.00 N ATOM 122 CA ALA A 17 4.670 0.522 -4.519 1.00 0.00 C ATOM 123 C ALA A 17 4.115 -0.566 -5.433 1.00 0.00 C ATOM 124 O ALA A 17 3.510 -1.541 -4.971 1.00 0.00 O ATOM 125 CB ALA A 17 3.780 1.751 -4.570 1.00 0.00 C ATOM 0 H ALA A 17 6.164 1.867 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 17 4.687 0.132 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.763 1.476 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.157 2.502 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.780 2.158 -5.581 1.00 0.00 H new ATOM 131 N GLN A 18 4.351 -0.403 -6.732 1.00 0.00 N ATOM 132 CA GLN A 18 3.885 -1.349 -7.727 1.00 0.00 C ATOM 133 C GLN A 18 4.372 -2.758 -7.412 1.00 0.00 C ATOM 134 O GLN A 18 3.616 -3.723 -7.518 1.00 0.00 O ATOM 135 CB GLN A 18 4.373 -0.933 -9.108 1.00 0.00 C ATOM 136 CG GLN A 18 3.739 0.345 -9.624 1.00 0.00 C ATOM 137 CD GLN A 18 4.215 0.705 -11.017 1.00 0.00 C ATOM 138 OE1 GLN A 18 5.220 1.395 -11.184 1.00 0.00 O ATOM 139 NE2 GLN A 18 3.494 0.250 -12.029 1.00 0.00 N ATOM 0 H GLN A 18 4.869 0.387 -7.118 1.00 0.00 H new ATOM 0 HA GLN A 18 2.795 -1.350 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.455 -0.804 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.169 -1.739 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.655 0.232 -9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.970 1.163 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.667 -0.319 -11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.765 0.469 -12.988 1.00 0.00 H new ATOM 148 N ALA A 19 5.627 -2.865 -6.997 1.00 0.00 N ATOM 149 CA ALA A 19 6.225 -4.157 -6.683 1.00 0.00 C ATOM 150 C ALA A 19 5.572 -4.801 -5.459 1.00 0.00 C ATOM 151 O ALA A 19 5.553 -6.027 -5.332 1.00 0.00 O ATOM 152 CB ALA A 19 7.724 -4.004 -6.466 1.00 0.00 C ATOM 0 H ALA A 19 6.253 -2.070 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 19 6.053 -4.818 -7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.159 -4.976 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.184 -3.609 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.904 -3.318 -5.639 1.00 0.00 H new ATOM 158 N VAL A 20 4.972 -3.985 -4.596 1.00 0.00 N ATOM 159 CA VAL A 20 4.457 -4.480 -3.328 1.00 0.00 C ATOM 160 C VAL A 20 3.023 -4.891 -3.543 1.00 0.00 C ATOM 161 O VAL A 20 2.466 -5.705 -2.816 1.00 0.00 O ATOM 162 CB VAL A 20 4.517 -3.410 -2.211 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.267 -4.035 -0.847 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.848 -2.682 -2.222 1.00 0.00 C ATOM 0 H VAL A 20 4.832 -2.987 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 20 5.074 -5.318 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 20 3.729 -2.683 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.314 -3.263 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.281 -4.499 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.026 -4.791 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.862 -1.937 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.655 -3.397 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.985 -2.189 -3.184 1.00 0.00 H new ATOM 174 N THR A 21 2.466 -4.357 -4.609 1.00 0.00 N ATOM 175 CA THR A 21 1.080 -4.562 -4.936 1.00 0.00 C ATOM 176 C THR A 21 0.986 -5.703 -5.927 1.00 0.00 C ATOM 177 O THR A 21 -0.003 -6.429 -5.996 1.00 0.00 O ATOM 178 CB THR A 21 0.494 -3.279 -5.532 1.00 0.00 C ATOM 179 OG1 THR A 21 0.864 -2.151 -4.726 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.000 -3.377 -5.586 1.00 0.00 C ATOM 0 H THR A 21 2.968 -3.767 -5.273 1.00 0.00 H new ATOM 0 HA THR A 21 0.511 -4.811 -4.040 1.00 0.00 H new ATOM 0 HB THR A 21 0.887 -3.150 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.804 -1.927 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.410 -2.461 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.287 -4.225 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.392 -3.517 -4.579 1.00 0.00 H new ATOM 188 N THR A 22 2.049 -5.838 -6.694 1.00 0.00 N ATOM 189 CA THR A 22 2.272 -7.008 -7.500 1.00 0.00 C ATOM 190 C THR A 22 2.432 -8.217 -6.584 1.00 0.00 C ATOM 191 O THR A 22 1.971 -9.319 -6.887 1.00 0.00 O ATOM 192 CB THR A 22 3.530 -6.814 -8.360 1.00 0.00 C ATOM 193 OG1 THR A 22 3.313 -5.755 -9.302 1.00 0.00 O ATOM 194 CG2 THR A 22 3.898 -8.082 -9.087 1.00 0.00 C ATOM 0 H THR A 22 2.782 -5.133 -6.772 1.00 0.00 H new ATOM 0 HA THR A 22 1.423 -7.171 -8.164 1.00 0.00 H new ATOM 0 HB THR A 22 4.357 -6.553 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.300 -4.896 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.792 -7.911 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.092 -8.873 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.076 -8.380 -9.738 1.00 0.00 H new ATOM 202 N THR A 23 3.075 -7.985 -5.445 1.00 0.00 N ATOM 203 CA THR A 23 3.232 -9.010 -4.432 1.00 0.00 C ATOM 204 C THR A 23 1.933 -9.224 -3.648 1.00 0.00 C ATOM 205 O THR A 23 1.438 -10.348 -3.554 1.00 0.00 O ATOM 206 CB THR A 23 4.380 -8.651 -3.470 1.00 0.00 C ATOM 207 OG1 THR A 23 5.591 -8.483 -4.214 1.00 0.00 O ATOM 208 CG2 THR A 23 4.581 -9.726 -2.415 1.00 0.00 C ATOM 0 H THR A 23 3.497 -7.088 -5.204 1.00 0.00 H new ATOM 0 HA THR A 23 3.477 -9.942 -4.941 1.00 0.00 H new ATOM 0 HB THR A 23 4.117 -7.723 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.544 -7.653 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.399 -9.439 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.667 -9.840 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.822 -10.672 -2.900 1.00 0.00 H new ATOM 216 N TYR A 24 1.379 -8.154 -3.079 1.00 0.00 N ATOM 217 CA TYR A 24 0.145 -8.261 -2.337 1.00 0.00 C ATOM 218 C TYR A 24 -0.976 -7.567 -3.098 1.00 0.00 C ATOM 219 O TYR A 24 -1.070 -6.346 -3.111 1.00 0.00 O ATOM 220 CB TYR A 24 0.321 -7.654 -0.945 1.00 0.00 C ATOM 221 CG TYR A 24 1.495 -8.230 -0.189 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.505 -9.558 0.214 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.605 -7.448 0.102 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.589 -10.092 0.883 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.691 -7.972 0.776 1.00 0.00 C ATOM 226 CZ TYR A 24 3.680 -9.294 1.162 1.00 0.00 C ATOM 227 OH TYR A 24 4.765 -9.820 1.825 1.00 0.00 O ATOM 0 H TYR A 24 1.770 -7.213 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.120 -9.312 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.452 -6.576 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.589 -7.815 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.651 -10.184 0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.619 -6.412 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.583 -11.129 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.544 -7.348 0.999 1.00 0.00 H new ATOM 0 HH TYR A 24 5.446 -9.125 1.940 1.00 0.00 H new ATOM 237 N SER A 25 -1.815 -8.357 -3.746 1.00 0.00 N ATOM 238 CA SER A 25 -2.900 -7.832 -4.557 1.00 0.00 C ATOM 239 C SER A 25 -4.049 -7.320 -3.687 1.00 0.00 C ATOM 240 O SER A 25 -5.082 -6.876 -4.195 1.00 0.00 O ATOM 241 CB SER A 25 -3.380 -8.923 -5.510 1.00 0.00 C ATOM 242 OG SER A 25 -3.500 -10.164 -4.837 1.00 0.00 O ATOM 0 H SER A 25 -1.764 -9.376 -3.725 1.00 0.00 H new ATOM 0 HA SER A 25 -2.534 -6.982 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.343 -8.641 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.680 -9.021 -6.340 1.00 0.00 H new ATOM 0 HG SER A 25 -3.811 -10.848 -5.466 1.00 0.00 H new ATOM 248 N ASN A 26 -3.861 -7.391 -2.376 1.00 0.00 N ATOM 249 CA ASN A 26 -4.811 -6.821 -1.435 1.00 0.00 C ATOM 250 C ASN A 26 -4.465 -5.359 -1.183 1.00 0.00 C ATOM 251 O ASN A 26 -5.213 -4.631 -0.530 1.00 0.00 O ATOM 252 CB ASN A 26 -4.813 -7.609 -0.122 1.00 0.00 C ATOM 253 CG ASN A 26 -3.509 -7.493 0.643 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.534 -8.182 0.344 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.500 -6.658 1.667 1.00 0.00 N ATOM 0 H ASN A 26 -3.055 -7.840 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.812 -6.881 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.629 -7.254 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.010 -8.660 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.663 -6.567 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.330 -6.105 1.881 1.00 0.00 H new ATOM 262 N ILE A 27 -3.316 -4.939 -1.699 1.00 0.00 N ATOM 263 CA ILE A 27 -2.943 -3.537 -1.671 1.00 0.00 C ATOM 264 C ILE A 27 -3.613 -2.845 -2.851 1.00 0.00 C ATOM 265 O ILE A 27 -3.860 -3.474 -3.883 1.00 0.00 O ATOM 266 CB ILE A 27 -1.413 -3.327 -1.764 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.653 -4.367 -0.929 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.044 -1.914 -1.325 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.810 -4.042 -0.736 1.00 0.00 C ATOM 0 H ILE A 27 -2.630 -5.551 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.268 -3.118 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.119 -3.459 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.129 -4.453 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.739 -5.340 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.036 -1.781 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.542 -1.191 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.362 -1.759 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.280 -4.822 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.301 -3.985 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.906 -3.084 -0.225 1.00 0.00 H new ATOM 281 N THR A 28 -3.920 -1.572 -2.710 1.00 0.00 N ATOM 282 CA THR A 28 -4.598 -0.848 -3.767 1.00 0.00 C ATOM 283 C THR A 28 -4.059 0.565 -3.883 1.00 0.00 C ATOM 284 O THR A 28 -3.843 1.239 -2.878 1.00 0.00 O ATOM 285 CB THR A 28 -6.122 -0.813 -3.540 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.403 -0.738 -2.137 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.795 -2.043 -4.132 1.00 0.00 C ATOM 0 H THR A 28 -3.712 -1.019 -1.878 1.00 0.00 H new ATOM 0 HA THR A 28 -4.405 -1.378 -4.700 1.00 0.00 H new ATOM 0 HB THR A 28 -6.519 0.069 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.564 -0.639 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.869 -1.990 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.604 -2.081 -5.204 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.394 -2.940 -3.660 1.00 0.00 H new ATOM 295 N LEU A 29 -3.829 0.999 -5.104 1.00 0.00 N ATOM 296 CA LEU A 29 -3.275 2.313 -5.349 1.00 0.00 C ATOM 297 C LEU A 29 -4.405 3.302 -5.604 1.00 0.00 C ATOM 298 O LEU A 29 -5.049 3.269 -6.654 1.00 0.00 O ATOM 299 CB LEU A 29 -2.313 2.249 -6.544 1.00 0.00 C ATOM 300 CG LEU A 29 -1.298 3.394 -6.658 1.00 0.00 C ATOM 301 CD1 LEU A 29 -0.251 3.064 -7.708 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.982 4.701 -7.011 1.00 0.00 C ATOM 0 H LEU A 29 -4.019 0.457 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.715 2.651 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.764 1.309 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.905 2.223 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.815 3.510 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.464 3.884 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.272 2.150 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.736 2.920 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.237 5.493 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.496 4.596 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.705 4.954 -6.236 1.00 0.00 H new ATOM 314 N GLU A 30 -4.653 4.163 -4.637 1.00 0.00 N ATOM 315 CA GLU A 30 -5.707 5.154 -4.756 1.00 0.00 C ATOM 316 C GLU A 30 -5.135 6.562 -4.675 1.00 0.00 C ATOM 317 O GLU A 30 -3.995 6.752 -4.248 1.00 0.00 O ATOM 318 CB GLU A 30 -6.775 4.952 -3.679 1.00 0.00 C ATOM 319 CG GLU A 30 -7.656 3.734 -3.916 1.00 0.00 C ATOM 320 CD GLU A 30 -8.872 3.723 -3.016 1.00 0.00 C ATOM 321 OE1 GLU A 30 -9.713 4.638 -3.140 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.984 2.813 -2.169 1.00 0.00 O ATOM 0 H GLU A 30 -4.138 4.197 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.177 5.026 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.287 4.854 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.404 5.841 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.977 3.717 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.073 2.828 -3.748 1.00 0.00 H new ATOM 329 N ASP A 31 -5.943 7.538 -5.084 1.00 0.00 N ATOM 330 CA ASP A 31 -5.515 8.936 -5.154 1.00 0.00 C ATOM 331 C ASP A 31 -4.287 9.072 -6.039 1.00 0.00 C ATOM 332 O ASP A 31 -3.350 9.812 -5.734 1.00 0.00 O ATOM 333 CB ASP A 31 -5.249 9.513 -3.761 1.00 0.00 C ATOM 334 CG ASP A 31 -6.528 9.840 -3.009 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.608 9.885 -3.639 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.463 10.050 -1.780 1.00 0.00 O ATOM 0 H ASP A 31 -6.908 7.385 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.328 9.512 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.664 8.799 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.646 10.416 -3.855 1.00 0.00 H new ATOM 341 N ASP A 32 -4.323 8.360 -7.157 1.00 0.00 N ATOM 342 CA ASP A 32 -3.211 8.328 -8.094 1.00 0.00 C ATOM 343 C ASP A 32 -3.132 9.623 -8.887 1.00 0.00 C ATOM 344 O ASP A 32 -3.932 9.856 -9.790 1.00 0.00 O ATOM 345 CB ASP A 32 -3.370 7.146 -9.055 1.00 0.00 C ATOM 346 CG ASP A 32 -2.215 7.019 -10.030 1.00 0.00 C ATOM 347 OD1 ASP A 32 -1.230 6.333 -9.698 1.00 0.00 O ATOM 348 OD2 ASP A 32 -2.293 7.583 -11.139 1.00 0.00 O ATOM 0 H ASP A 32 -5.121 7.791 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.289 8.213 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.456 6.225 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.299 7.260 -9.613 1.00 0.00 H new ATOM 353 N GLN A 33 -2.192 10.476 -8.522 1.00 0.00 N ATOM 354 CA GLN A 33 -1.921 11.684 -9.288 1.00 0.00 C ATOM 355 C GLN A 33 -0.654 11.491 -10.110 1.00 0.00 C ATOM 356 O GLN A 33 -0.416 12.195 -11.091 1.00 0.00 O ATOM 357 CB GLN A 33 -1.749 12.883 -8.357 1.00 0.00 C ATOM 358 CG GLN A 33 -2.939 13.140 -7.452 1.00 0.00 C ATOM 359 CD GLN A 33 -2.724 14.343 -6.561 1.00 0.00 C ATOM 360 OE1 GLN A 33 -2.198 14.227 -5.455 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.130 15.505 -7.035 1.00 0.00 N ATOM 0 H GLN A 33 -1.601 10.356 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.765 11.875 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.864 12.726 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.565 13.773 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.830 13.294 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.122 12.260 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.562 15.557 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.012 16.352 -6.479 1.00 0.00 H new ATOM 370 N GLY A 34 0.149 10.521 -9.697 1.00 0.00 N ATOM 371 CA GLY A 34 1.417 10.263 -10.349 1.00 0.00 C ATOM 372 C GLY A 34 2.559 10.272 -9.358 1.00 0.00 C ATOM 373 O GLY A 34 3.013 9.218 -8.909 1.00 0.00 O ATOM 0 H GLY A 34 -0.058 9.902 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.379 9.297 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.593 11.017 -11.116 1.00 0.00 H new ATOM 377 N SER A 35 3.014 11.465 -9.010 1.00 0.00 N ATOM 378 CA SER A 35 4.029 11.624 -7.985 1.00 0.00 C ATOM 379 C SER A 35 3.421 11.339 -6.612 1.00 0.00 C ATOM 380 O SER A 35 4.067 10.765 -5.733 1.00 0.00 O ATOM 381 CB SER A 35 4.614 13.045 -8.039 1.00 0.00 C ATOM 382 OG SER A 35 5.702 13.196 -7.138 1.00 0.00 O ATOM 0 H SER A 35 2.694 12.340 -9.425 1.00 0.00 H new ATOM 0 HA SER A 35 4.838 10.915 -8.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.948 13.264 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.836 13.769 -7.796 1.00 0.00 H new ATOM 0 HG SER A 35 6.052 14.109 -7.198 1.00 0.00 H new ATOM 388 N HIS A 36 2.162 11.725 -6.446 1.00 0.00 N ATOM 389 CA HIS A 36 1.446 11.495 -5.202 1.00 0.00 C ATOM 390 C HIS A 36 0.374 10.432 -5.385 1.00 0.00 C ATOM 391 O HIS A 36 -0.305 10.393 -6.412 1.00 0.00 O ATOM 392 CB HIS A 36 0.811 12.791 -4.693 1.00 0.00 C ATOM 393 CG HIS A 36 1.808 13.820 -4.265 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.917 15.060 -4.856 1.00 0.00 N ATOM 395 CD2 HIS A 36 2.746 13.789 -3.290 1.00 0.00 C ATOM 396 CE1 HIS A 36 2.875 15.745 -4.263 1.00 0.00 C ATOM 397 NE2 HIS A 36 3.393 14.995 -3.311 1.00 0.00 N ATOM 0 H HIS A 36 1.615 12.201 -7.163 1.00 0.00 H new ATOM 0 HA HIS A 36 2.166 11.144 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.183 13.211 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.157 12.559 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.947 12.966 -2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.183 16.749 -4.514 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.154 15.269 -2.690 1.00 0.00 H new ATOM 406 N PHE A 37 0.252 9.566 -4.387 1.00 0.00 N ATOM 407 CA PHE A 37 -0.765 8.524 -4.357 1.00 0.00 C ATOM 408 C PHE A 37 -0.704 7.815 -3.013 1.00 0.00 C ATOM 409 O PHE A 37 0.277 7.964 -2.279 1.00 0.00 O ATOM 410 CB PHE A 37 -0.557 7.517 -5.496 1.00 0.00 C ATOM 411 CG PHE A 37 0.741 6.762 -5.417 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.890 7.268 -6.006 1.00 0.00 C ATOM 413 CD2 PHE A 37 0.807 5.543 -4.762 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.078 6.573 -5.939 1.00 0.00 C ATOM 415 CE2 PHE A 37 1.993 4.844 -4.692 1.00 0.00 C ATOM 416 CZ PHE A 37 3.130 5.357 -5.282 1.00 0.00 C ATOM 0 H PHE A 37 0.861 9.568 -3.569 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.745 8.981 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.381 6.804 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.600 8.047 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.853 8.216 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.081 5.136 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.968 6.977 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.032 3.896 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.060 4.810 -5.231 1.00 0.00 H new ATOM 426 N ARG A 38 -1.742 7.069 -2.673 1.00 0.00 N ATOM 427 CA ARG A 38 -1.744 6.313 -1.428 1.00 0.00 C ATOM 428 C ARG A 38 -2.104 4.858 -1.670 1.00 0.00 C ATOM 429 O ARG A 38 -2.920 4.538 -2.535 1.00 0.00 O ATOM 430 CB ARG A 38 -2.715 6.925 -0.413 1.00 0.00 C ATOM 431 CG ARG A 38 -4.140 7.019 -0.920 1.00 0.00 C ATOM 432 CD ARG A 38 -5.095 7.465 0.173 1.00 0.00 C ATOM 433 NE ARG A 38 -6.391 7.860 -0.374 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.507 7.140 -0.284 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.497 5.953 0.311 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.633 7.605 -0.807 1.00 0.00 N ATOM 0 H ARG A 38 -2.588 6.970 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.734 6.359 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.701 6.327 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.367 7.922 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.185 7.722 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.454 6.049 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.233 6.655 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.659 8.302 0.719 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.445 8.754 -0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.630 5.586 0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.357 5.408 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.642 8.511 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.491 7.057 -0.741 1.00 0.00 H new ATOM 450 N LEU A 39 -1.490 3.979 -0.900 1.00 0.00 N ATOM 451 CA LEU A 39 -1.799 2.566 -0.972 1.00 0.00 C ATOM 452 C LEU A 39 -2.746 2.188 0.144 1.00 0.00 C ATOM 453 O LEU A 39 -2.503 2.486 1.317 1.00 0.00 O ATOM 454 CB LEU A 39 -0.540 1.714 -0.881 1.00 0.00 C ATOM 455 CG LEU A 39 0.483 1.951 -1.984 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.748 1.167 -1.696 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.089 1.560 -3.341 1.00 0.00 C ATOM 0 H LEU A 39 -0.773 4.221 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.270 2.377 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.063 1.900 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.830 0.663 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 39 0.726 3.013 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.474 1.343 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.167 1.490 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.514 0.104 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.658 1.737 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.359 0.504 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.976 2.159 -3.548 1.00 0.00 H new ATOM 469 N VAL A 40 -3.833 1.561 -0.230 1.00 0.00 N ATOM 470 CA VAL A 40 -4.806 1.078 0.725 1.00 0.00 C ATOM 471 C VAL A 40 -4.662 -0.427 0.880 1.00 0.00 C ATOM 472 O VAL A 40 -4.787 -1.175 -0.087 1.00 0.00 O ATOM 473 CB VAL A 40 -6.242 1.418 0.284 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.249 1.048 1.365 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.351 2.890 -0.071 1.00 0.00 C ATOM 0 H VAL A 40 -4.071 1.370 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.620 1.570 1.679 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.474 0.829 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.254 1.299 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.190 -0.022 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.024 1.602 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.372 3.115 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.094 3.494 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.665 3.119 -0.887 1.00 0.00 H new ATOM 485 N VAL A 41 -4.374 -0.862 2.090 1.00 0.00 N ATOM 486 CA VAL A 41 -4.228 -2.274 2.369 1.00 0.00 C ATOM 487 C VAL A 41 -5.573 -2.841 2.797 1.00 0.00 C ATOM 488 O VAL A 41 -6.075 -2.529 3.881 1.00 0.00 O ATOM 489 CB VAL A 41 -3.179 -2.537 3.468 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.876 -4.020 3.559 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.906 -1.747 3.205 1.00 0.00 C ATOM 0 H VAL A 41 -4.236 -0.255 2.898 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.882 -2.765 1.459 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.590 -2.204 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.134 -4.193 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.789 -4.564 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.487 -4.371 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.182 -1.950 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.487 -2.042 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.136 -0.682 3.189 1.00 0.00 H new ATOM 501 N ARG A 42 -6.169 -3.640 1.927 1.00 0.00 N ATOM 502 CA ARG A 42 -7.478 -4.206 2.188 1.00 0.00 C ATOM 503 C ARG A 42 -7.347 -5.676 2.549 1.00 0.00 C ATOM 504 O ARG A 42 -6.278 -6.273 2.392 1.00 0.00 O ATOM 505 CB ARG A 42 -8.384 -4.036 0.965 1.00 0.00 C ATOM 506 CG ARG A 42 -8.690 -2.582 0.630 1.00 0.00 C ATOM 507 CD ARG A 42 -9.407 -2.452 -0.706 1.00 0.00 C ATOM 508 NE ARG A 42 -10.341 -1.321 -0.724 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.060 -0.108 -1.212 1.00 0.00 C ATOM 510 NH1 ARG A 42 -8.877 0.158 -1.741 1.00 0.00 N ATOM 511 NH2 ARG A 42 -10.976 0.850 -1.184 1.00 0.00 N ATOM 0 H ARG A 42 -5.763 -3.911 1.031 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.929 -3.678 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.910 -4.506 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.321 -4.564 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.306 -2.149 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.762 -2.012 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.672 -2.327 -1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.950 -3.373 -0.916 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.272 -1.471 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.162 -0.568 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.680 1.089 -2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.898 0.663 -0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.759 1.774 -1.557 1.00 0.00 H new ATOM 525 N ASP A 43 -8.427 -6.248 3.043 1.00 0.00 N ATOM 526 CA ASP A 43 -8.438 -7.659 3.413 1.00 0.00 C ATOM 527 C ASP A 43 -9.184 -8.485 2.364 1.00 0.00 C ATOM 528 O ASP A 43 -9.441 -8.013 1.256 1.00 0.00 O ATOM 529 CB ASP A 43 -9.079 -7.855 4.796 1.00 0.00 C ATOM 530 CG ASP A 43 -10.597 -7.769 4.781 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.159 -7.107 3.884 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.235 -8.375 5.672 1.00 0.00 O ATOM 0 H ASP A 43 -9.310 -5.762 3.199 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.405 -8.004 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.782 -8.827 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.687 -7.101 5.479 1.00 0.00 H new ATOM 537 N THR A 44 -9.539 -9.712 2.730 1.00 0.00 N ATOM 538 CA THR A 44 -10.245 -10.620 1.836 1.00 0.00 C ATOM 539 C THR A 44 -11.656 -10.133 1.496 1.00 0.00 C ATOM 540 O THR A 44 -12.263 -10.600 0.530 1.00 0.00 O ATOM 541 CB THR A 44 -10.319 -12.019 2.465 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.416 -11.896 3.892 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.095 -12.842 2.102 1.00 0.00 C ATOM 0 H THR A 44 -9.346 -10.103 3.652 1.00 0.00 H new ATOM 0 HA THR A 44 -9.681 -10.655 0.904 1.00 0.00 H new ATOM 0 HB THR A 44 -11.201 -12.529 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.465 -12.788 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.171 -13.828 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.036 -12.948 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.198 -12.341 2.467 1.00 0.00 H new ATOM 551 N GLU A 45 -12.174 -9.201 2.286 1.00 0.00 N ATOM 552 CA GLU A 45 -13.501 -8.650 2.052 1.00 0.00 C ATOM 553 C GLU A 45 -13.397 -7.404 1.178 1.00 0.00 C ATOM 554 O GLU A 45 -14.345 -7.021 0.486 1.00 0.00 O ATOM 555 CB GLU A 45 -14.172 -8.298 3.382 1.00 0.00 C ATOM 556 CG GLU A 45 -15.626 -7.878 3.244 1.00 0.00 C ATOM 557 CD GLU A 45 -16.512 -9.005 2.759 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.488 -9.318 1.550 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.236 -9.591 3.589 1.00 0.00 O ATOM 0 H GLU A 45 -11.693 -8.811 3.096 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.107 -9.398 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.114 -9.160 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.614 -7.491 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.991 -7.522 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.695 -7.041 2.549 1.00 0.00 H new ATOM 566 N GLY A 46 -12.234 -6.775 1.213 1.00 0.00 N ATOM 567 CA GLY A 46 -12.022 -5.571 0.443 1.00 0.00 C ATOM 568 C GLY A 46 -12.172 -4.332 1.296 1.00 0.00 C ATOM 569 O GLY A 46 -12.172 -3.212 0.786 1.00 0.00 O ATOM 0 H GLY A 46 -11.431 -7.079 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.026 -5.591 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.735 -5.535 -0.381 1.00 0.00 H new ATOM 573 N ARG A 47 -12.305 -4.531 2.598 1.00 0.00 N ATOM 574 CA ARG A 47 -12.404 -3.424 3.523 1.00 0.00 C ATOM 575 C ARG A 47 -11.022 -2.843 3.772 1.00 0.00 C ATOM 576 O ARG A 47 -10.018 -3.560 3.699 1.00 0.00 O ATOM 577 CB ARG A 47 -13.016 -3.885 4.846 1.00 0.00 C ATOM 578 CG ARG A 47 -12.170 -4.917 5.570 1.00 0.00 C ATOM 579 CD ARG A 47 -12.732 -5.279 6.930 1.00 0.00 C ATOM 580 NE ARG A 47 -12.003 -6.397 7.530 1.00 0.00 N ATOM 581 CZ ARG A 47 -11.434 -6.360 8.735 1.00 0.00 C ATOM 582 NH1 ARG A 47 -11.420 -5.231 9.435 1.00 0.00 N ATOM 583 NH2 ARG A 47 -10.848 -7.445 9.226 1.00 0.00 N ATOM 0 H ARG A 47 -12.346 -5.452 3.034 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.048 -2.660 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.156 -3.020 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.004 -4.304 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.099 -5.817 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.157 -4.532 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.679 -4.413 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.786 -5.541 6.832 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.925 -7.260 6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.846 -4.387 9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.983 -5.208 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.833 -8.307 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.413 -7.417 10.148 1.00 0.00 H new ATOM 597 N MET A 48 -10.967 -1.555 4.060 1.00 0.00 N ATOM 598 CA MET A 48 -9.699 -0.906 4.343 1.00 0.00 C ATOM 599 C MET A 48 -9.268 -1.206 5.770 1.00 0.00 C ATOM 600 O MET A 48 -9.959 -0.869 6.731 1.00 0.00 O ATOM 601 CB MET A 48 -9.775 0.610 4.107 1.00 0.00 C ATOM 602 CG MET A 48 -10.807 1.334 4.962 1.00 0.00 C ATOM 603 SD MET A 48 -10.822 3.119 4.686 1.00 0.00 S ATOM 604 CE MET A 48 -11.283 3.188 2.958 1.00 0.00 C ATOM 0 H MET A 48 -11.780 -0.941 4.104 1.00 0.00 H new ATOM 0 HA MET A 48 -8.954 -1.306 3.655 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.794 1.044 4.300 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.002 0.790 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.796 0.930 4.748 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.603 1.136 6.014 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.643 4.188 2.717 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.415 2.957 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.072 2.461 2.763 1.00 0.00 H new ATOM 614 N VAL A 49 -8.146 -1.887 5.902 1.00 0.00 N ATOM 615 CA VAL A 49 -7.591 -2.173 7.209 1.00 0.00 C ATOM 616 C VAL A 49 -6.500 -1.161 7.525 1.00 0.00 C ATOM 617 O VAL A 49 -6.303 -0.766 8.674 1.00 0.00 O ATOM 618 CB VAL A 49 -7.021 -3.607 7.276 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.541 -3.934 8.686 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.063 -4.616 6.817 1.00 0.00 C ATOM 0 H VAL A 49 -7.602 -2.252 5.120 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.389 -2.098 7.948 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.164 -3.666 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.144 -4.949 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.760 -3.232 8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.376 -3.855 9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.645 -5.621 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.939 -4.553 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.353 -4.398 5.789 1.00 0.00 H new ATOM 630 N TRP A 50 -5.821 -0.716 6.480 1.00 0.00 N ATOM 631 CA TRP A 50 -4.742 0.248 6.611 1.00 0.00 C ATOM 632 C TRP A 50 -4.579 1.012 5.301 1.00 0.00 C ATOM 633 O TRP A 50 -4.975 0.524 4.249 1.00 0.00 O ATOM 634 CB TRP A 50 -3.437 -0.471 6.985 1.00 0.00 C ATOM 635 CG TRP A 50 -2.249 0.441 7.077 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.231 0.554 6.174 1.00 0.00 C ATOM 637 CD2 TRP A 50 -1.964 1.375 8.124 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.333 1.503 6.592 1.00 0.00 N ATOM 639 CE2 TRP A 50 -0.757 2.020 7.789 1.00 0.00 C ATOM 640 CE3 TRP A 50 -2.610 1.727 9.313 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.187 2.998 8.599 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.042 2.698 10.115 1.00 0.00 C ATOM 643 CH2 TRP A 50 -0.842 3.323 9.755 1.00 0.00 C ATOM 0 H TRP A 50 -6.002 -1.012 5.521 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.982 0.957 7.404 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.572 -0.975 7.942 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.234 -1.244 6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.145 -0.020 5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.513 1.779 6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.535 1.249 9.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.738 3.482 8.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.532 2.980 11.035 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.424 4.078 10.404 1.00 0.00 H new ATOM 654 N ARG A 51 -4.023 2.213 5.374 1.00 0.00 N ATOM 655 CA ARG A 51 -3.728 3.000 4.186 1.00 0.00 C ATOM 656 C ARG A 51 -2.658 4.032 4.505 1.00 0.00 C ATOM 657 O ARG A 51 -2.633 4.586 5.605 1.00 0.00 O ATOM 658 CB ARG A 51 -4.988 3.688 3.645 1.00 0.00 C ATOM 659 CG ARG A 51 -5.710 4.546 4.670 1.00 0.00 C ATOM 660 CD ARG A 51 -6.857 5.318 4.041 1.00 0.00 C ATOM 661 NE ARG A 51 -7.553 6.152 5.017 1.00 0.00 N ATOM 662 CZ ARG A 51 -7.942 7.405 4.788 1.00 0.00 C ATOM 663 NH1 ARG A 51 -7.702 7.977 3.616 1.00 0.00 N ATOM 664 NH2 ARG A 51 -8.576 8.086 5.729 1.00 0.00 N ATOM 0 H ARG A 51 -3.766 2.666 6.251 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.360 2.326 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.713 4.311 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.675 2.927 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.092 3.913 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.006 5.244 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.474 5.945 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.563 4.618 3.593 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.754 5.749 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.217 7.457 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.002 8.937 3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.768 7.651 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.873 9.046 5.552 1.00 0.00 H new ATOM 678 N ALA A 52 -1.771 4.271 3.556 1.00 0.00 N ATOM 679 CA ALA A 52 -0.693 5.226 3.746 1.00 0.00 C ATOM 680 C ALA A 52 -0.299 5.844 2.416 1.00 0.00 C ATOM 681 O ALA A 52 -0.404 5.198 1.372 1.00 0.00 O ATOM 682 CB ALA A 52 0.507 4.551 4.396 1.00 0.00 C ATOM 0 H ALA A 52 -1.776 3.816 2.643 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.042 6.018 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.306 5.280 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.216 4.147 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.859 3.741 3.757 1.00 0.00 H new ATOM 688 N TRP A 53 0.131 7.096 2.446 1.00 0.00 N ATOM 689 CA TRP A 53 0.577 7.766 1.242 1.00 0.00 C ATOM 690 C TRP A 53 1.996 7.388 0.896 1.00 0.00 C ATOM 691 O TRP A 53 2.646 6.596 1.575 1.00 0.00 O ATOM 692 CB TRP A 53 0.515 9.279 1.391 1.00 0.00 C ATOM 693 CG TRP A 53 -0.839 9.833 1.272 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.731 9.911 2.259 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.452 10.390 0.107 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.877 10.497 1.811 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.736 10.797 0.486 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.041 10.588 -1.213 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.624 11.390 -0.405 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -1.922 11.176 -2.098 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.199 11.572 -1.691 1.00 0.00 C ATOM 0 H TRP A 53 0.179 7.665 3.291 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.096 7.446 0.446 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.926 9.556 2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.152 9.735 0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.569 9.561 3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.707 10.682 2.375 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.055 10.287 -1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.612 11.695 -0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.619 11.333 -3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.864 12.031 -2.408 1.00 0.00 H new ATOM 712 N ASN A 54 2.464 8.022 -0.147 1.00 0.00 N ATOM 713 CA ASN A 54 3.804 7.786 -0.666 1.00 0.00 C ATOM 714 C ASN A 54 4.822 8.600 0.124 1.00 0.00 C ATOM 715 O ASN A 54 5.960 8.179 0.321 1.00 0.00 O ATOM 716 CB ASN A 54 3.863 8.176 -2.148 1.00 0.00 C ATOM 717 CG ASN A 54 5.169 7.785 -2.815 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.289 6.704 -3.384 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.154 8.669 -2.768 1.00 0.00 N ATOM 0 H ASN A 54 1.933 8.720 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 54 4.042 6.727 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.036 7.701 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.723 9.253 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.048 8.461 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.019 9.558 -2.286 1.00 0.00 H new ATOM 726 N PHE A 55 4.383 9.759 0.602 1.00 0.00 N ATOM 727 CA PHE A 55 5.274 10.712 1.255 1.00 0.00 C ATOM 728 C PHE A 55 5.238 10.591 2.776 1.00 0.00 C ATOM 729 O PHE A 55 5.814 11.420 3.479 1.00 0.00 O ATOM 730 CB PHE A 55 4.915 12.144 0.831 1.00 0.00 C ATOM 731 CG PHE A 55 3.465 12.505 1.027 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.020 13.028 2.230 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.548 12.323 0.003 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.690 13.361 2.407 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.217 12.656 0.178 1.00 0.00 C ATOM 736 CZ PHE A 55 0.789 13.175 1.380 1.00 0.00 C ATOM 0 H PHE A 55 3.411 10.063 0.549 1.00 0.00 H new ATOM 0 HA PHE A 55 6.290 10.478 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.531 12.843 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.170 12.274 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.720 13.177 3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.877 11.917 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.356 13.767 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.513 12.509 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.250 13.436 1.518 1.00 0.00 H new ATOM 746 N GLU A 56 4.573 9.561 3.286 1.00 0.00 N ATOM 747 CA GLU A 56 4.501 9.354 4.727 1.00 0.00 C ATOM 748 C GLU A 56 5.863 8.908 5.261 1.00 0.00 C ATOM 749 O GLU A 56 6.448 7.950 4.753 1.00 0.00 O ATOM 750 CB GLU A 56 3.422 8.324 5.074 1.00 0.00 C ATOM 751 CG GLU A 56 2.017 8.753 4.680 1.00 0.00 C ATOM 752 CD GLU A 56 1.562 10.007 5.398 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.258 9.926 6.605 1.00 0.00 O ATOM 754 OE2 GLU A 56 1.493 11.076 4.758 1.00 0.00 O ATOM 0 H GLU A 56 4.080 8.862 2.729 1.00 0.00 H new ATOM 0 HA GLU A 56 4.231 10.298 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.658 7.383 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.446 8.133 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.983 8.923 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.321 7.943 4.897 1.00 0.00 H new ATOM 761 N PRO A 57 6.366 9.600 6.302 1.00 0.00 N ATOM 762 CA PRO A 57 7.721 9.401 6.849 1.00 0.00 C ATOM 763 C PRO A 57 8.069 7.938 7.125 1.00 0.00 C ATOM 764 O PRO A 57 9.208 7.517 6.917 1.00 0.00 O ATOM 765 CB PRO A 57 7.710 10.204 8.162 1.00 0.00 C ATOM 766 CG PRO A 57 6.286 10.590 8.392 1.00 0.00 C ATOM 767 CD PRO A 57 5.645 10.642 7.040 1.00 0.00 C ATOM 0 HA PRO A 57 8.476 9.725 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.091 9.606 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.347 11.086 8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.785 9.865 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.220 11.556 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.576 10.436 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.760 11.621 6.575 1.00 0.00 H new ATOM 775 N ASP A 58 7.099 7.169 7.594 1.00 0.00 N ATOM 776 CA ASP A 58 7.318 5.754 7.863 1.00 0.00 C ATOM 777 C ASP A 58 6.206 4.920 7.238 1.00 0.00 C ATOM 778 O ASP A 58 5.709 3.968 7.840 1.00 0.00 O ATOM 779 CB ASP A 58 7.415 5.494 9.378 1.00 0.00 C ATOM 780 CG ASP A 58 6.093 5.643 10.114 1.00 0.00 C ATOM 781 OD1 ASP A 58 5.321 6.566 9.785 1.00 0.00 O ATOM 782 OD2 ASP A 58 5.822 4.829 11.029 1.00 0.00 O ATOM 0 H ASP A 58 6.155 7.498 7.796 1.00 0.00 H new ATOM 0 HA ASP A 58 8.265 5.458 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.798 4.487 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.140 6.184 9.810 1.00 0.00 H new ATOM 787 N ALA A 59 5.855 5.262 5.997 1.00 0.00 N ATOM 788 CA ALA A 59 4.765 4.597 5.284 1.00 0.00 C ATOM 789 C ALA A 59 4.925 3.081 5.305 1.00 0.00 C ATOM 790 O ALA A 59 3.972 2.341 5.569 1.00 0.00 O ATOM 791 CB ALA A 59 4.705 5.087 3.847 1.00 0.00 C ATOM 0 H ALA A 59 6.314 6.000 5.463 1.00 0.00 H new ATOM 0 HA ALA A 59 3.834 4.846 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.890 4.585 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.535 6.164 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.647 4.864 3.347 1.00 0.00 H new ATOM 797 N GLY A 60 6.147 2.632 5.035 1.00 0.00 N ATOM 798 CA GLY A 60 6.441 1.216 5.017 1.00 0.00 C ATOM 799 C GLY A 60 6.153 0.533 6.332 1.00 0.00 C ATOM 800 O GLY A 60 5.639 -0.578 6.344 1.00 0.00 O ATOM 0 H GLY A 60 6.944 3.233 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.855 0.740 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.491 1.073 4.763 1.00 0.00 H new ATOM 804 N GLU A 61 6.448 1.206 7.433 1.00 0.00 N ATOM 805 CA GLU A 61 6.307 0.614 8.757 1.00 0.00 C ATOM 806 C GLU A 61 4.862 0.198 9.019 1.00 0.00 C ATOM 807 O GLU A 61 4.607 -0.855 9.604 1.00 0.00 O ATOM 808 CB GLU A 61 6.779 1.606 9.821 1.00 0.00 C ATOM 809 CG GLU A 61 6.839 1.028 11.224 1.00 0.00 C ATOM 810 CD GLU A 61 7.784 -0.147 11.327 1.00 0.00 C ATOM 811 OE1 GLU A 61 8.946 -0.022 10.887 1.00 0.00 O ATOM 812 OE2 GLU A 61 7.371 -1.195 11.868 1.00 0.00 O ATOM 0 H GLU A 61 6.788 2.168 7.437 1.00 0.00 H new ATOM 0 HA GLU A 61 6.927 -0.282 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.769 1.972 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.110 2.467 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.154 1.805 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.840 0.714 11.527 1.00 0.00 H new ATOM 819 N GLY A 62 3.917 1.015 8.566 1.00 0.00 N ATOM 820 CA GLY A 62 2.518 0.672 8.720 1.00 0.00 C ATOM 821 C GLY A 62 2.149 -0.509 7.847 1.00 0.00 C ATOM 822 O GLY A 62 1.460 -1.440 8.282 1.00 0.00 O ATOM 0 H GLY A 62 4.095 1.904 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.311 0.436 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.899 1.530 8.458 1.00 0.00 H new ATOM 826 N LEU A 63 2.634 -0.476 6.614 1.00 0.00 N ATOM 827 CA LEU A 63 2.423 -1.569 5.679 1.00 0.00 C ATOM 828 C LEU A 63 2.987 -2.861 6.257 1.00 0.00 C ATOM 829 O LEU A 63 2.315 -3.888 6.272 1.00 0.00 O ATOM 830 CB LEU A 63 3.100 -1.258 4.344 1.00 0.00 C ATOM 831 CG LEU A 63 2.690 0.070 3.701 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.541 0.351 2.476 1.00 0.00 C ATOM 833 CD2 LEU A 63 1.216 0.055 3.331 1.00 0.00 C ATOM 0 H LEU A 63 3.179 0.300 6.238 1.00 0.00 H new ATOM 0 HA LEU A 63 1.353 -1.689 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.180 -1.253 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.879 -2.065 3.646 1.00 0.00 H new ATOM 0 HG LEU A 63 2.853 0.867 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.237 1.298 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.590 0.407 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.408 -0.450 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.945 1.008 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.027 -0.752 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.617 -0.101 4.228 1.00 0.00 H new ATOM 845 N ASN A 64 4.217 -2.786 6.764 1.00 0.00 N ATOM 846 CA ASN A 64 4.889 -3.941 7.356 1.00 0.00 C ATOM 847 C ASN A 64 4.092 -4.482 8.531 1.00 0.00 C ATOM 848 O ASN A 64 4.068 -5.686 8.774 1.00 0.00 O ATOM 849 CB ASN A 64 6.295 -3.580 7.853 1.00 0.00 C ATOM 850 CG ASN A 64 7.205 -3.011 6.781 1.00 0.00 C ATOM 851 OD1 ASN A 64 8.150 -2.282 7.083 1.00 0.00 O ATOM 852 ND2 ASN A 64 6.922 -3.309 5.526 1.00 0.00 N ATOM 0 H ASN A 64 4.772 -1.930 6.776 1.00 0.00 H new ATOM 0 HA ASN A 64 4.966 -4.697 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.207 -2.855 8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.760 -4.472 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.494 -2.932 4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.131 -3.917 5.312 1.00 0.00 H new ATOM 859 N ARG A 65 3.429 -3.579 9.242 1.00 0.00 N ATOM 860 CA ARG A 65 2.698 -3.931 10.446 1.00 0.00 C ATOM 861 C ARG A 65 1.461 -4.754 10.114 1.00 0.00 C ATOM 862 O ARG A 65 1.023 -5.566 10.923 1.00 0.00 O ATOM 863 CB ARG A 65 2.306 -2.666 11.208 1.00 0.00 C ATOM 864 CG ARG A 65 1.966 -2.912 12.665 1.00 0.00 C ATOM 865 CD ARG A 65 3.177 -3.420 13.432 1.00 0.00 C ATOM 866 NE ARG A 65 4.324 -2.519 13.303 1.00 0.00 N ATOM 867 CZ ARG A 65 4.812 -1.783 14.301 1.00 0.00 C ATOM 868 NH1 ARG A 65 4.266 -1.847 15.509 1.00 0.00 N ATOM 869 NH2 ARG A 65 5.861 -0.999 14.092 1.00 0.00 N ATOM 0 H ARG A 65 3.384 -2.589 9.000 1.00 0.00 H new ATOM 0 HA ARG A 65 3.347 -4.539 11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.126 -1.950 11.151 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.448 -2.208 10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.606 -1.989 13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.156 -3.638 12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.919 -3.530 14.485 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.450 -4.409 13.065 1.00 0.00 H new ATOM 0 HE ARG A 65 4.778 -2.450 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.469 -2.461 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.643 -1.282 16.270 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.293 -0.960 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.236 -0.435 14.855 1.00 0.00 H new ATOM 883 N TYR A 66 0.888 -4.540 8.937 1.00 0.00 N ATOM 884 CA TYR A 66 -0.198 -5.401 8.483 1.00 0.00 C ATOM 885 C TYR A 66 0.355 -6.619 7.751 1.00 0.00 C ATOM 886 O TYR A 66 -0.122 -7.735 7.947 1.00 0.00 O ATOM 887 CB TYR A 66 -1.183 -4.656 7.579 1.00 0.00 C ATOM 888 CG TYR A 66 -2.314 -5.539 7.089 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.451 -5.738 7.862 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.237 -6.186 5.861 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.478 -6.555 7.425 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.262 -7.001 5.417 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.378 -7.185 6.202 1.00 0.00 C ATOM 894 OH TYR A 66 -5.400 -8.000 5.761 1.00 0.00 O ATOM 0 H TYR A 66 1.149 -3.795 8.291 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.740 -5.726 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.600 -3.809 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.647 -4.251 6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.534 -5.247 8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.362 -6.050 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.355 -6.699 8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.187 -7.492 4.458 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.171 -8.365 4.881 1.00 0.00 H new ATOM 904 N ILE A 67 1.358 -6.392 6.904 1.00 0.00 N ATOM 905 CA ILE A 67 1.969 -7.469 6.131 1.00 0.00 C ATOM 906 C ILE A 67 2.498 -8.567 7.051 1.00 0.00 C ATOM 907 O ILE A 67 2.073 -9.717 6.947 1.00 0.00 O ATOM 908 CB ILE A 67 3.114 -6.943 5.230 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.559 -5.992 4.163 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.856 -8.099 4.570 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.628 -5.337 3.313 1.00 0.00 C ATOM 0 H ILE A 67 1.764 -5.471 6.737 1.00 0.00 H new ATOM 0 HA ILE A 67 1.192 -7.886 5.490 1.00 0.00 H new ATOM 0 HB ILE A 67 3.818 -6.396 5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.880 -6.545 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.970 -5.216 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.656 -7.707 3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.282 -8.744 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.162 -8.674 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.159 -4.679 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.294 -4.755 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.202 -6.105 2.795 1.00 0.00 H new ATOM 923 N ARG A 68 3.430 -8.202 7.939 1.00 0.00 N ATOM 924 CA ARG A 68 3.989 -9.132 8.924 1.00 0.00 C ATOM 925 C ARG A 68 4.489 -10.406 8.257 1.00 0.00 C ATOM 926 O ARG A 68 4.427 -11.491 8.829 1.00 0.00 O ATOM 927 CB ARG A 68 2.945 -9.451 9.976 1.00 0.00 C ATOM 928 CG ARG A 68 2.549 -8.245 10.807 1.00 0.00 C ATOM 929 CD ARG A 68 1.590 -8.606 11.930 1.00 0.00 C ATOM 930 NE ARG A 68 0.327 -9.153 11.436 1.00 0.00 N ATOM 931 CZ ARG A 68 -0.849 -8.533 11.553 1.00 0.00 C ATOM 932 NH1 ARG A 68 -0.904 -7.279 11.986 1.00 0.00 N ATOM 933 NH2 ARG A 68 -1.968 -9.153 11.203 1.00 0.00 N ATOM 0 H ARG A 68 3.815 -7.259 7.994 1.00 0.00 H new ATOM 0 HA ARG A 68 4.844 -8.656 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.058 -9.856 9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.329 -10.229 10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.444 -7.788 11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.085 -7.499 10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.064 -9.334 12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.388 -7.718 12.530 1.00 0.00 H new ATOM 0 HE ARG A 68 0.346 -10.062 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.045 -6.786 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.805 -6.809 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.931 -10.107 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.865 -8.676 11.294 1.00 0.00 H new ATOM 947 N THR A 69 4.920 -10.222 7.017 1.00 0.00 N ATOM 948 CA THR A 69 5.564 -11.231 6.166 1.00 0.00 C ATOM 949 C THR A 69 4.642 -12.414 5.897 1.00 0.00 C ATOM 950 O THR A 69 5.086 -13.497 5.512 1.00 0.00 O ATOM 951 CB THR A 69 6.959 -11.700 6.682 1.00 0.00 C ATOM 952 OG1 THR A 69 7.602 -12.482 5.669 1.00 0.00 O ATOM 953 CG2 THR A 69 6.880 -12.524 7.959 1.00 0.00 C ATOM 0 H THR A 69 4.829 -9.321 6.547 1.00 0.00 H new ATOM 0 HA THR A 69 5.756 -10.727 5.219 1.00 0.00 H new ATOM 0 HB THR A 69 7.529 -10.799 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.953 -13.099 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.884 -12.819 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.421 -11.929 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.279 -13.415 7.780 1.00 0.00 H new ATOM 961 N SER A 70 3.351 -12.181 6.062 1.00 0.00 N ATOM 962 CA SER A 70 2.352 -13.143 5.665 1.00 0.00 C ATOM 963 C SER A 70 1.553 -12.583 4.496 1.00 0.00 C ATOM 964 O SER A 70 1.574 -13.123 3.384 1.00 0.00 O ATOM 965 CB SER A 70 1.444 -13.465 6.851 1.00 0.00 C ATOM 966 OG SER A 70 0.862 -12.296 7.401 1.00 0.00 O ATOM 0 H SER A 70 2.974 -11.326 6.472 1.00 0.00 H new ATOM 0 HA SER A 70 2.831 -14.069 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.656 -14.147 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.019 -13.981 7.620 1.00 0.00 H new ATOM 0 HG SER A 70 0.287 -12.541 8.156 1.00 0.00 H new ATOM 972 N GLY A 71 0.877 -11.474 4.756 1.00 0.00 N ATOM 973 CA GLY A 71 0.122 -10.786 3.733 1.00 0.00 C ATOM 974 C GLY A 71 -1.045 -11.603 3.218 1.00 0.00 C ATOM 975 O GLY A 71 -1.329 -12.692 3.715 1.00 0.00 O ATOM 0 H GLY A 71 0.839 -11.033 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.249 -9.843 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.783 -10.541 2.902 1.00 0.00 H new ATOM 979 N ILE A 72 -1.728 -11.071 2.221 1.00 0.00 N ATOM 980 CA ILE A 72 -2.851 -11.765 1.612 1.00 0.00 C ATOM 981 C ILE A 72 -2.400 -12.400 0.291 1.00 0.00 C ATOM 982 O ILE A 72 -3.189 -12.976 -0.455 1.00 0.00 O ATOM 983 CB ILE A 72 -4.041 -10.790 1.409 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.422 -10.148 2.749 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.252 -11.480 0.795 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.706 -11.150 3.850 1.00 0.00 C ATOM 0 H ILE A 72 -1.525 -10.158 1.814 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.196 -12.561 2.272 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.719 -10.019 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.614 -9.491 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.303 -9.523 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.059 -10.758 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.982 -11.891 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.583 -12.286 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.968 -10.620 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.535 -11.792 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.819 -11.760 4.025 1.00 0.00 H new ATOM 998 N ARG A 73 -1.098 -12.303 0.035 1.00 0.00 N ATOM 999 CA ARG A 73 -0.498 -12.859 -1.177 1.00 0.00 C ATOM 1000 C ARG A 73 -0.743 -14.361 -1.280 1.00 0.00 C ATOM 1001 O ARG A 73 -1.497 -14.826 -2.133 1.00 0.00 O ATOM 1002 CB ARG A 73 1.008 -12.583 -1.202 1.00 0.00 C ATOM 1003 CG ARG A 73 1.759 -13.475 -2.172 1.00 0.00 C ATOM 1004 CD ARG A 73 3.169 -12.979 -2.452 1.00 0.00 C ATOM 1005 NE ARG A 73 3.876 -13.874 -3.369 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.148 -13.733 -3.741 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.889 -12.742 -3.259 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.683 -14.595 -4.596 1.00 0.00 N ATOM 0 H ARG A 73 -0.433 -11.841 0.655 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.971 -12.373 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.176 -11.540 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.414 -12.723 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.807 -14.486 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.206 -13.533 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.126 -11.977 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.722 -12.903 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 73 3.357 -14.664 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.486 -12.079 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.861 -12.644 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.121 -15.362 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.656 -14.491 -4.883 1.00 0.00 H new