USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 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 33 GLN : amide:sc= -0.93 K(o=-0.42,f=-2.1!) USER MOD Set 1.2: A 35 SER OG : rot 71:sc= 0.262 USER MOD Set 1.3: A 36 HIS : no HD1:sc= 0.249 K(o=-0.42,f=-1.2) USER MOD Set 2.1: A 26 ASN : amide:sc= -2.7! C(o=-2.4!,f=-9.8!) USER MOD Set 2.2: A 66 TYR OH : rot -100:sc= 0.269 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 16 GLN : amide:sc= -0.105 K(o=-0.11,f=-3.5!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 21 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot 14:sc= 0.0557 USER MOD Single : A 23 THR OG1 : rot 81:sc= 0.953 USER MOD Single : A 24 TYR OH : rot 165:sc=-0.00206 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 28 THR OG1 : rot -26:sc= -0.884 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 48 MET CE :methyl 157:sc= -0.222 (180deg=-0.968) USER MOD Single : A 54 ASN :FLIP amide:sc= 1.01! F(o=-0.056,f=1!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -51:sc= 0.304 USER MOD Single : A 70 SER OG : rot 180:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.502 3.585 5.107 1.00 0.00 N ATOM 2 CA GLY A 10 10.479 4.587 5.386 1.00 0.00 C ATOM 3 C GLY A 10 9.551 4.855 4.210 1.00 0.00 C ATOM 4 O GLY A 10 8.727 4.007 3.867 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.885 4.260 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.965 5.519 5.674 1.00 0.00 H new ATOM 8 N PRO A 11 9.648 6.043 3.588 1.00 0.00 N ATOM 9 CA PRO A 11 8.855 6.386 2.408 1.00 0.00 C ATOM 10 C PRO A 11 9.258 5.557 1.193 1.00 0.00 C ATOM 11 O PRO A 11 10.436 5.264 0.980 1.00 0.00 O ATOM 12 CB PRO A 11 9.156 7.871 2.168 1.00 0.00 C ATOM 13 CG PRO A 11 9.853 8.347 3.400 1.00 0.00 C ATOM 14 CD PRO A 11 10.534 7.145 3.987 1.00 0.00 C ATOM 0 HA PRO A 11 7.795 6.185 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.783 8.006 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.238 8.433 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.577 9.126 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.144 8.777 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.542 7.017 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.624 7.220 5.071 1.00 0.00 H new ATOM 22 N PHE A 12 8.272 5.187 0.401 1.00 0.00 N ATOM 23 CA PHE A 12 8.488 4.311 -0.745 1.00 0.00 C ATOM 24 C PHE A 12 8.349 5.062 -2.067 1.00 0.00 C ATOM 25 O PHE A 12 8.279 6.292 -2.095 1.00 0.00 O ATOM 26 CB PHE A 12 7.494 3.142 -0.700 1.00 0.00 C ATOM 27 CG PHE A 12 6.046 3.563 -0.561 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.550 4.000 0.659 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.184 3.516 -1.645 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.229 4.386 0.791 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.860 3.901 -1.517 1.00 0.00 C ATOM 32 CZ PHE A 12 3.386 4.335 -0.297 1.00 0.00 C ATOM 0 H PHE A 12 7.303 5.480 0.528 1.00 0.00 H new ATOM 0 HA PHE A 12 9.508 3.930 -0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.603 2.552 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.753 2.491 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.205 4.039 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.550 3.175 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.858 4.727 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.200 3.861 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.354 4.635 -0.195 1.00 0.00 H new ATOM 42 N THR A 13 8.362 4.309 -3.161 1.00 0.00 N ATOM 43 CA THR A 13 8.088 4.849 -4.484 1.00 0.00 C ATOM 44 C THR A 13 6.964 4.043 -5.118 1.00 0.00 C ATOM 45 O THR A 13 6.521 3.048 -4.542 1.00 0.00 O ATOM 46 CB THR A 13 9.331 4.785 -5.400 1.00 0.00 C ATOM 47 OG1 THR A 13 9.589 3.433 -5.806 1.00 0.00 O ATOM 48 CG2 THR A 13 10.555 5.325 -4.684 1.00 0.00 C ATOM 0 H THR A 13 8.563 3.309 -3.154 1.00 0.00 H new ATOM 0 HA THR A 13 7.806 5.896 -4.373 1.00 0.00 H new ATOM 0 HB THR A 13 9.126 5.397 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.378 3.411 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.418 5.270 -5.347 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.382 6.363 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.746 4.730 -3.791 1.00 0.00 H new ATOM 56 N ARG A 14 6.513 4.445 -6.300 1.00 0.00 N ATOM 57 CA ARG A 14 5.516 3.667 -7.015 1.00 0.00 C ATOM 58 C ARG A 14 6.092 2.325 -7.417 1.00 0.00 C ATOM 59 O ARG A 14 5.445 1.304 -7.250 1.00 0.00 O ATOM 60 CB ARG A 14 5.000 4.411 -8.243 1.00 0.00 C ATOM 61 CG ARG A 14 3.875 5.372 -7.922 1.00 0.00 C ATOM 62 CD ARG A 14 3.412 6.136 -9.150 1.00 0.00 C ATOM 63 NE ARG A 14 4.505 6.846 -9.807 1.00 0.00 N ATOM 64 CZ ARG A 14 4.368 7.526 -10.944 1.00 0.00 C ATOM 65 NH1 ARG A 14 3.172 7.650 -11.509 1.00 0.00 N ATOM 66 NH2 ARG A 14 5.423 8.097 -11.507 1.00 0.00 N ATOM 0 H ARG A 14 6.818 5.294 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 14 4.671 3.508 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.822 4.962 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.653 3.687 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.035 4.819 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.207 6.077 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.956 5.442 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.640 6.849 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 14 5.426 6.820 -9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.355 7.224 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.071 8.172 -12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.341 8.016 -11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.317 8.618 -12.378 1.00 0.00 H new ATOM 80 N ARG A 15 7.321 2.336 -7.922 1.00 0.00 N ATOM 81 CA ARG A 15 7.994 1.107 -8.326 1.00 0.00 C ATOM 82 C ARG A 15 8.016 0.124 -7.161 1.00 0.00 C ATOM 83 O ARG A 15 7.626 -1.036 -7.306 1.00 0.00 O ATOM 84 CB ARG A 15 9.426 1.414 -8.775 1.00 0.00 C ATOM 85 CG ARG A 15 9.974 0.480 -9.851 1.00 0.00 C ATOM 86 CD ARG A 15 9.984 -0.981 -9.426 1.00 0.00 C ATOM 87 NE ARG A 15 10.688 -1.197 -8.161 1.00 0.00 N ATOM 88 CZ ARG A 15 11.859 -1.824 -8.063 1.00 0.00 C ATOM 89 NH1 ARG A 15 12.525 -2.169 -9.157 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.385 -2.074 -6.872 1.00 0.00 N ATOM 0 H ARG A 15 7.872 3.183 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 15 7.450 0.663 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.463 2.437 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.082 1.368 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.374 0.585 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.989 0.785 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.957 -1.334 -9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.456 -1.579 -10.206 1.00 0.00 H new ATOM 0 HE ARG A 15 10.257 -0.847 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.141 -1.954 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.422 -2.649 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.893 -1.786 -6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.282 -2.554 -6.801 1.00 0.00 H new ATOM 104 N GLN A 16 8.467 0.602 -6.006 1.00 0.00 N ATOM 105 CA GLN A 16 8.536 -0.232 -4.816 1.00 0.00 C ATOM 106 C GLN A 16 7.144 -0.724 -4.441 1.00 0.00 C ATOM 107 O GLN A 16 6.923 -1.923 -4.295 1.00 0.00 O ATOM 108 CB GLN A 16 9.146 0.532 -3.635 1.00 0.00 C ATOM 109 CG GLN A 16 10.532 1.109 -3.895 1.00 0.00 C ATOM 110 CD GLN A 16 11.524 0.092 -4.426 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.415 -1.109 -4.172 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.522 0.573 -5.149 1.00 0.00 N ATOM 0 H GLN A 16 8.789 1.560 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 16 9.177 -1.084 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.475 1.346 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.202 -0.138 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.447 1.928 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.920 1.533 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.579 1.574 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.235 -0.057 -5.517 1.00 0.00 H new ATOM 121 N ALA A 17 6.210 0.213 -4.316 1.00 0.00 N ATOM 122 CA ALA A 17 4.829 -0.106 -3.942 1.00 0.00 C ATOM 123 C ALA A 17 4.187 -1.112 -4.897 1.00 0.00 C ATOM 124 O ALA A 17 3.561 -2.084 -4.465 1.00 0.00 O ATOM 125 CB ALA A 17 3.994 1.162 -3.901 1.00 0.00 C ATOM 0 H ALA A 17 6.382 1.207 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 17 4.861 -0.563 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.970 0.914 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.413 1.850 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.999 1.633 -4.884 1.00 0.00 H new ATOM 131 N GLN A 18 4.351 -0.878 -6.190 1.00 0.00 N ATOM 132 CA GLN A 18 3.741 -1.709 -7.213 1.00 0.00 C ATOM 133 C GLN A 18 4.187 -3.161 -7.092 1.00 0.00 C ATOM 134 O GLN A 18 3.388 -4.077 -7.268 1.00 0.00 O ATOM 135 CB GLN A 18 4.084 -1.161 -8.595 1.00 0.00 C ATOM 136 CG GLN A 18 3.355 0.133 -8.941 1.00 0.00 C ATOM 137 CD GLN A 18 3.659 0.615 -10.344 1.00 0.00 C ATOM 138 OE1 GLN A 18 4.750 0.392 -10.873 1.00 0.00 O ATOM 139 NE2 GLN A 18 2.695 1.277 -10.961 1.00 0.00 N ATOM 0 H GLN A 18 4.910 -0.108 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 18 2.660 -1.684 -7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.159 -0.988 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.843 -1.915 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.281 -0.021 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.636 0.906 -8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.806 1.441 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.840 1.624 -11.909 1.00 0.00 H new ATOM 148 N ALA A 19 5.456 -3.367 -6.764 1.00 0.00 N ATOM 149 CA ALA A 19 5.997 -4.715 -6.596 1.00 0.00 C ATOM 150 C ALA A 19 5.339 -5.442 -5.421 1.00 0.00 C ATOM 151 O ALA A 19 5.223 -6.677 -5.413 1.00 0.00 O ATOM 152 CB ALA A 19 7.505 -4.660 -6.400 1.00 0.00 C ATOM 0 H ALA A 19 6.132 -2.619 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 19 5.775 -5.276 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.893 -5.671 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.969 -4.198 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.735 -4.072 -5.512 1.00 0.00 H new ATOM 158 N VAL A 20 4.847 -4.677 -4.457 1.00 0.00 N ATOM 159 CA VAL A 20 4.281 -5.263 -3.259 1.00 0.00 C ATOM 160 C VAL A 20 2.846 -5.580 -3.567 1.00 0.00 C ATOM 161 O VAL A 20 2.227 -6.449 -2.971 1.00 0.00 O ATOM 162 CB VAL A 20 4.335 -4.303 -2.053 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.145 -5.057 -0.746 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.636 -3.525 -2.033 1.00 0.00 C ATOM 0 H VAL A 20 4.830 -3.657 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 20 4.856 -6.148 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 20 3.515 -3.593 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.187 -4.356 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.176 -5.556 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.935 -5.800 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.647 -2.856 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.474 -4.219 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.724 -2.940 -2.948 1.00 0.00 H new ATOM 174 N THR A 21 2.356 -4.865 -4.553 1.00 0.00 N ATOM 175 CA THR A 21 0.995 -4.971 -4.991 1.00 0.00 C ATOM 176 C THR A 21 0.838 -6.101 -6.005 1.00 0.00 C ATOM 177 O THR A 21 -0.197 -6.766 -6.060 1.00 0.00 O ATOM 178 CB THR A 21 0.562 -3.645 -5.615 1.00 0.00 C ATOM 179 OG1 THR A 21 0.909 -2.555 -4.747 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.917 -3.644 -5.836 1.00 0.00 C ATOM 0 H THR A 21 2.905 -4.184 -5.078 1.00 0.00 H new ATOM 0 HA THR A 21 0.364 -5.197 -4.131 1.00 0.00 H new ATOM 0 HB THR A 21 1.074 -3.526 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.882 -2.435 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.218 -2.696 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.185 -4.461 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.428 -3.775 -4.882 1.00 0.00 H new ATOM 188 N THR A 22 1.870 -6.313 -6.814 1.00 0.00 N ATOM 189 CA THR A 22 1.894 -7.452 -7.713 1.00 0.00 C ATOM 190 C THR A 22 1.996 -8.736 -6.904 1.00 0.00 C ATOM 191 O THR A 22 1.522 -9.791 -7.326 1.00 0.00 O ATOM 192 CB THR A 22 3.057 -7.366 -8.721 1.00 0.00 C ATOM 193 OG1 THR A 22 4.278 -7.045 -8.041 1.00 0.00 O ATOM 194 CG2 THR A 22 2.768 -6.315 -9.784 1.00 0.00 C ATOM 0 H THR A 22 2.694 -5.714 -6.863 1.00 0.00 H new ATOM 0 HA THR A 22 0.967 -7.448 -8.286 1.00 0.00 H new ATOM 0 HB THR A 22 3.162 -8.336 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.156 -7.165 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.600 -6.269 -10.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.856 -6.580 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.640 -5.342 -9.309 1.00 0.00 H new ATOM 202 N THR A 23 2.627 -8.637 -5.737 1.00 0.00 N ATOM 203 CA THR A 23 2.666 -9.749 -4.804 1.00 0.00 C ATOM 204 C THR A 23 1.367 -9.839 -3.988 1.00 0.00 C ATOM 205 O THR A 23 0.724 -10.888 -3.948 1.00 0.00 O ATOM 206 CB THR A 23 3.876 -9.627 -3.865 1.00 0.00 C ATOM 207 OG1 THR A 23 5.061 -9.405 -4.644 1.00 0.00 O ATOM 208 CG2 THR A 23 4.050 -10.888 -3.032 1.00 0.00 C ATOM 0 H THR A 23 3.115 -7.800 -5.420 1.00 0.00 H new ATOM 0 HA THR A 23 2.765 -10.665 -5.386 1.00 0.00 H new ATOM 0 HB THR A 23 3.706 -8.788 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.116 -8.459 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.913 -10.775 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.156 -11.053 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.205 -11.742 -3.692 1.00 0.00 H new ATOM 216 N TYR A 24 0.975 -8.741 -3.341 1.00 0.00 N ATOM 217 CA TYR A 24 -0.247 -8.709 -2.570 1.00 0.00 C ATOM 218 C TYR A 24 -1.299 -7.895 -3.323 1.00 0.00 C ATOM 219 O TYR A 24 -1.288 -6.668 -3.294 1.00 0.00 O ATOM 220 CB TYR A 24 0.012 -8.087 -1.193 1.00 0.00 C ATOM 221 CG TYR A 24 1.114 -8.747 -0.394 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.436 -8.345 -0.540 1.00 0.00 C ATOM 223 CD2 TYR A 24 0.840 -9.764 0.509 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.450 -8.936 0.185 1.00 0.00 C ATOM 225 CE2 TYR A 24 1.850 -10.359 1.241 1.00 0.00 C ATOM 226 CZ TYR A 24 3.152 -9.943 1.074 1.00 0.00 C ATOM 227 OH TYR A 24 4.160 -10.535 1.795 1.00 0.00 O ATOM 0 H TYR A 24 1.495 -7.864 -3.342 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.610 -9.727 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.261 -7.034 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.910 -8.126 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.675 -7.554 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.179 -10.096 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.472 -8.610 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.619 -11.148 1.942 1.00 0.00 H new ATOM 0 HH TYR A 24 3.775 -11.047 2.536 1.00 0.00 H new ATOM 237 N SER A 25 -2.188 -8.587 -4.015 1.00 0.00 N ATOM 238 CA SER A 25 -3.225 -7.952 -4.817 1.00 0.00 C ATOM 239 C SER A 25 -4.279 -7.258 -3.952 1.00 0.00 C ATOM 240 O SER A 25 -5.201 -6.623 -4.470 1.00 0.00 O ATOM 241 CB SER A 25 -3.883 -9.003 -5.703 1.00 0.00 C ATOM 242 OG SER A 25 -4.338 -10.102 -4.930 1.00 0.00 O ATOM 0 H SER A 25 -2.213 -9.606 -4.038 1.00 0.00 H new ATOM 0 HA SER A 25 -2.757 -7.182 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.721 -8.559 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.172 -9.350 -6.453 1.00 0.00 H new ATOM 0 HG SER A 25 -4.758 -10.764 -5.518 1.00 0.00 H new ATOM 248 N ASN A 26 -4.153 -7.393 -2.640 1.00 0.00 N ATOM 249 CA ASN A 26 -5.048 -6.709 -1.718 1.00 0.00 C ATOM 250 C ASN A 26 -4.576 -5.276 -1.505 1.00 0.00 C ATOM 251 O ASN A 26 -5.306 -4.441 -0.970 1.00 0.00 O ATOM 252 CB ASN A 26 -5.140 -7.438 -0.373 1.00 0.00 C ATOM 253 CG ASN A 26 -3.817 -7.495 0.367 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.761 -7.689 -0.227 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.867 -7.307 1.673 1.00 0.00 N ATOM 0 H ASN A 26 -3.441 -7.969 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.044 -6.703 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.878 -6.938 0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.499 -8.453 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.008 -7.320 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.764 -7.149 2.131 1.00 0.00 H new ATOM 262 N ILE A 27 -3.345 -5.000 -1.919 1.00 0.00 N ATOM 263 CA ILE A 27 -2.833 -3.643 -1.902 1.00 0.00 C ATOM 264 C ILE A 27 -3.348 -2.921 -3.137 1.00 0.00 C ATOM 265 O ILE A 27 -3.526 -3.542 -4.185 1.00 0.00 O ATOM 266 CB ILE A 27 -1.288 -3.586 -1.903 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.688 -4.760 -1.118 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.813 -2.254 -1.335 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.757 -4.563 -0.715 1.00 0.00 C ATOM 0 H ILE A 27 -2.688 -5.698 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.176 -3.170 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.943 -3.670 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.284 -4.925 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.765 -5.664 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.277 -2.224 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.201 -1.439 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.174 -2.145 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.104 -5.438 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.369 -4.430 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.841 -3.680 -0.082 1.00 0.00 H new ATOM 281 N THR A 28 -3.609 -1.632 -3.025 1.00 0.00 N ATOM 282 CA THR A 28 -4.120 -0.874 -4.155 1.00 0.00 C ATOM 283 C THR A 28 -3.560 0.537 -4.168 1.00 0.00 C ATOM 284 O THR A 28 -3.474 1.188 -3.130 1.00 0.00 O ATOM 285 CB THR A 28 -5.660 -0.814 -4.146 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.138 -0.636 -2.807 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.266 -2.074 -4.746 1.00 0.00 C ATOM 0 H THR A 28 -3.477 -1.090 -2.171 1.00 0.00 H new ATOM 0 HA THR A 28 -3.796 -1.394 -5.056 1.00 0.00 H new ATOM 0 HB THR A 28 -5.966 0.035 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.482 -0.998 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.353 -2.000 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.930 -2.184 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.950 -2.941 -4.167 1.00 0.00 H new ATOM 295 N LEU A 29 -3.162 0.995 -5.344 1.00 0.00 N ATOM 296 CA LEU A 29 -2.662 2.347 -5.505 1.00 0.00 C ATOM 297 C LEU A 29 -3.802 3.244 -5.971 1.00 0.00 C ATOM 298 O LEU A 29 -4.226 3.180 -7.123 1.00 0.00 O ATOM 299 CB LEU A 29 -1.497 2.369 -6.507 1.00 0.00 C ATOM 300 CG LEU A 29 -0.561 3.585 -6.421 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.699 3.335 -7.230 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.246 4.847 -6.917 1.00 0.00 C ATOM 0 H LEU A 29 -3.176 0.446 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.285 2.717 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.903 1.467 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.909 2.323 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.298 3.728 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.354 4.204 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.216 2.459 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.433 3.163 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.557 5.688 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.545 4.714 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.128 5.046 -6.308 1.00 0.00 H new ATOM 314 N GLU A 30 -4.309 4.055 -5.063 1.00 0.00 N ATOM 315 CA GLU A 30 -5.420 4.940 -5.368 1.00 0.00 C ATOM 316 C GLU A 30 -4.982 6.395 -5.251 1.00 0.00 C ATOM 317 O GLU A 30 -3.912 6.687 -4.713 1.00 0.00 O ATOM 318 CB GLU A 30 -6.603 4.675 -4.428 1.00 0.00 C ATOM 319 CG GLU A 30 -7.082 3.229 -4.419 1.00 0.00 C ATOM 320 CD GLU A 30 -8.355 3.042 -3.614 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.499 3.680 -2.551 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.223 2.251 -4.041 1.00 0.00 O ATOM 0 H GLU A 30 -3.969 4.120 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.740 4.743 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.318 4.958 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.433 5.319 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.253 2.900 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.299 2.593 -4.007 1.00 0.00 H new ATOM 329 N ASP A 31 -5.815 7.295 -5.768 1.00 0.00 N ATOM 330 CA ASP A 31 -5.567 8.736 -5.690 1.00 0.00 C ATOM 331 C ASP A 31 -4.271 9.112 -6.395 1.00 0.00 C ATOM 332 O ASP A 31 -3.598 10.070 -6.011 1.00 0.00 O ATOM 333 CB ASP A 31 -5.524 9.204 -4.234 1.00 0.00 C ATOM 334 CG ASP A 31 -6.580 10.247 -3.930 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.657 11.258 -4.658 1.00 0.00 O ATOM 336 OD2 ASP A 31 -7.350 10.051 -2.965 1.00 0.00 O ATOM 0 H ASP A 31 -6.679 7.049 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.392 9.237 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.664 8.347 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.538 9.615 -4.017 1.00 0.00 H new ATOM 341 N ASP A 32 -3.935 8.367 -7.438 1.00 0.00 N ATOM 342 CA ASP A 32 -2.729 8.613 -8.198 1.00 0.00 C ATOM 343 C ASP A 32 -2.845 9.892 -9.015 1.00 0.00 C ATOM 344 O ASP A 32 -3.520 9.942 -10.042 1.00 0.00 O ATOM 345 CB ASP A 32 -2.403 7.415 -9.096 1.00 0.00 C ATOM 346 CG ASP A 32 -3.572 6.961 -9.952 1.00 0.00 C ATOM 347 OD1 ASP A 32 -4.582 6.495 -9.389 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.473 7.039 -11.195 1.00 0.00 O ATOM 0 H ASP A 32 -4.490 7.581 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.907 8.745 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.567 7.675 -9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.075 6.583 -8.473 1.00 0.00 H new ATOM 353 N GLN A 33 -2.212 10.932 -8.514 1.00 0.00 N ATOM 354 CA GLN A 33 -2.133 12.201 -9.212 1.00 0.00 C ATOM 355 C GLN A 33 -0.771 12.314 -9.885 1.00 0.00 C ATOM 356 O GLN A 33 -0.627 12.908 -10.953 1.00 0.00 O ATOM 357 CB GLN A 33 -2.365 13.347 -8.211 1.00 0.00 C ATOM 358 CG GLN A 33 -2.254 14.748 -8.800 1.00 0.00 C ATOM 359 CD GLN A 33 -0.821 15.248 -8.885 1.00 0.00 C ATOM 360 OE1 GLN A 33 0.025 14.905 -8.051 1.00 0.00 O ATOM 361 NE2 GLN A 33 -0.533 16.042 -9.904 1.00 0.00 N ATOM 0 H GLN A 33 -1.737 10.923 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.902 12.264 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.356 13.231 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.644 13.252 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.694 14.752 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.838 15.439 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.261 16.301 -10.570 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.417 16.395 -10.023 1.00 0.00 H new ATOM 370 N GLY A 34 0.218 11.693 -9.264 1.00 0.00 N ATOM 371 CA GLY A 34 1.579 11.794 -9.739 1.00 0.00 C ATOM 372 C GLY A 34 2.552 11.772 -8.586 1.00 0.00 C ATOM 373 O GLY A 34 3.140 10.736 -8.281 1.00 0.00 O ATOM 0 H GLY A 34 0.100 11.116 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.794 10.969 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.703 12.716 -10.308 1.00 0.00 H new ATOM 377 N SER A 35 2.713 12.911 -7.932 1.00 0.00 N ATOM 378 CA SER A 35 3.498 12.972 -6.714 1.00 0.00 C ATOM 379 C SER A 35 2.633 12.524 -5.545 1.00 0.00 C ATOM 380 O SER A 35 3.114 11.938 -4.572 1.00 0.00 O ATOM 381 CB SER A 35 4.006 14.395 -6.482 1.00 0.00 C ATOM 382 OG SER A 35 2.932 15.327 -6.498 1.00 0.00 O ATOM 0 H SER A 35 2.311 13.802 -8.224 1.00 0.00 H new ATOM 0 HA SER A 35 4.361 12.312 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.525 14.449 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.731 14.657 -7.253 1.00 0.00 H new ATOM 0 HG SER A 35 2.386 15.211 -5.692 1.00 0.00 H new ATOM 388 N HIS A 36 1.343 12.800 -5.663 1.00 0.00 N ATOM 389 CA HIS A 36 0.376 12.402 -4.660 1.00 0.00 C ATOM 390 C HIS A 36 -0.296 11.104 -5.064 1.00 0.00 C ATOM 391 O HIS A 36 -0.813 10.982 -6.174 1.00 0.00 O ATOM 392 CB HIS A 36 -0.673 13.498 -4.457 1.00 0.00 C ATOM 393 CG HIS A 36 -0.165 14.679 -3.694 1.00 0.00 C ATOM 394 ND1 HIS A 36 0.688 15.618 -4.235 1.00 0.00 N ATOM 395 CD2 HIS A 36 -0.381 15.062 -2.415 1.00 0.00 C ATOM 396 CE1 HIS A 36 0.972 16.525 -3.321 1.00 0.00 C ATOM 397 NE2 HIS A 36 0.335 16.212 -2.207 1.00 0.00 N ATOM 0 H HIS A 36 0.942 13.304 -6.454 1.00 0.00 H new ATOM 0 HA HIS A 36 0.902 12.248 -3.718 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.031 13.832 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.529 13.077 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.003 14.555 -1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.617 17.380 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.370 16.740 -1.335 1.00 0.00 H new ATOM 406 N PHE A 37 -0.249 10.136 -4.166 1.00 0.00 N ATOM 407 CA PHE A 37 -0.892 8.849 -4.366 1.00 0.00 C ATOM 408 C PHE A 37 -0.898 8.088 -3.050 1.00 0.00 C ATOM 409 O PHE A 37 0.019 8.245 -2.238 1.00 0.00 O ATOM 410 CB PHE A 37 -0.191 8.032 -5.466 1.00 0.00 C ATOM 411 CG PHE A 37 1.263 7.735 -5.207 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.248 8.640 -5.574 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.646 6.544 -4.608 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.583 8.364 -5.346 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.979 6.264 -4.377 1.00 0.00 C ATOM 416 CZ PHE A 37 3.949 7.175 -4.747 1.00 0.00 C ATOM 0 H PHE A 37 0.238 10.221 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.917 9.016 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.723 7.089 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.274 8.573 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.968 9.572 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.893 5.826 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.340 9.078 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.262 5.334 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.992 6.958 -4.568 1.00 0.00 H new ATOM 426 N ARG A 38 -1.927 7.292 -2.827 1.00 0.00 N ATOM 427 CA ARG A 38 -2.061 6.570 -1.570 1.00 0.00 C ATOM 428 C ARG A 38 -2.326 5.095 -1.821 1.00 0.00 C ATOM 429 O ARG A 38 -2.932 4.725 -2.826 1.00 0.00 O ATOM 430 CB ARG A 38 -3.191 7.176 -0.730 1.00 0.00 C ATOM 431 CG ARG A 38 -4.529 7.200 -1.450 1.00 0.00 C ATOM 432 CD ARG A 38 -5.631 7.786 -0.585 1.00 0.00 C ATOM 433 NE ARG A 38 -6.902 7.880 -1.309 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.716 6.843 -1.535 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.372 5.627 -1.138 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.874 7.022 -2.164 1.00 0.00 N ATOM 0 H ARG A 38 -2.680 7.128 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.124 6.661 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.293 6.606 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.920 8.193 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.437 7.784 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.800 6.186 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.764 7.167 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.335 8.777 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.184 8.794 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.484 5.479 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.995 4.838 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.146 7.954 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.491 6.227 -2.333 1.00 0.00 H new ATOM 450 N LEU A 39 -1.865 4.254 -0.913 1.00 0.00 N ATOM 451 CA LEU A 39 -2.088 2.827 -1.031 1.00 0.00 C ATOM 452 C LEU A 39 -3.130 2.377 -0.031 1.00 0.00 C ATOM 453 O LEU A 39 -3.224 2.910 1.072 1.00 0.00 O ATOM 454 CB LEU A 39 -0.798 2.040 -0.799 1.00 0.00 C ATOM 455 CG LEU A 39 0.373 2.412 -1.690 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.588 1.600 -1.297 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.036 2.180 -3.149 1.00 0.00 C ATOM 0 H LEU A 39 -1.335 4.535 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.438 2.632 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.496 2.172 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.012 0.980 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 39 0.590 3.472 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.428 1.868 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.844 1.807 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.369 0.538 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.891 2.454 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.202 1.128 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.823 2.791 -3.426 1.00 0.00 H new ATOM 469 N VAL A 40 -3.927 1.420 -0.442 1.00 0.00 N ATOM 470 CA VAL A 40 -4.901 0.807 0.433 1.00 0.00 C ATOM 471 C VAL A 40 -4.684 -0.699 0.493 1.00 0.00 C ATOM 472 O VAL A 40 -4.906 -1.408 -0.488 1.00 0.00 O ATOM 473 CB VAL A 40 -6.342 1.089 -0.041 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.357 0.556 0.957 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.556 2.575 -0.279 1.00 0.00 C ATOM 0 H VAL A 40 -3.920 1.044 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.767 1.241 1.424 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.489 0.568 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.365 0.768 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.229 -0.521 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.206 1.039 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.580 2.746 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.380 3.121 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.862 2.925 -1.043 1.00 0.00 H new ATOM 485 N VAL A 41 -4.223 -1.179 1.635 1.00 0.00 N ATOM 486 CA VAL A 41 -4.108 -2.606 1.864 1.00 0.00 C ATOM 487 C VAL A 41 -5.418 -3.114 2.445 1.00 0.00 C ATOM 488 O VAL A 41 -5.727 -2.871 3.618 1.00 0.00 O ATOM 489 CB VAL A 41 -2.967 -2.980 2.835 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.548 -4.418 2.606 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.776 -2.048 2.700 1.00 0.00 C ATOM 0 H VAL A 41 -3.922 -0.599 2.418 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.880 -3.066 0.902 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.344 -2.871 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.743 -4.676 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.399 -5.077 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.201 -4.537 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.998 -2.348 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.387 -2.099 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.087 -1.026 2.918 1.00 0.00 H new ATOM 501 N ARG A 42 -6.201 -3.781 1.623 1.00 0.00 N ATOM 502 CA ARG A 42 -7.495 -4.274 2.048 1.00 0.00 C ATOM 503 C ARG A 42 -7.385 -5.718 2.506 1.00 0.00 C ATOM 504 O ARG A 42 -6.334 -6.345 2.367 1.00 0.00 O ATOM 505 CB ARG A 42 -8.511 -4.144 0.909 1.00 0.00 C ATOM 506 CG ARG A 42 -8.796 -2.701 0.520 1.00 0.00 C ATOM 507 CD ARG A 42 -9.743 -2.604 -0.667 1.00 0.00 C ATOM 508 NE ARG A 42 -10.209 -1.231 -0.878 1.00 0.00 N ATOM 509 CZ ARG A 42 -9.832 -0.456 -1.899 1.00 0.00 C ATOM 510 NH1 ARG A 42 -9.016 -0.928 -2.827 1.00 0.00 N ATOM 511 NH2 ARG A 42 -10.287 0.788 -1.998 1.00 0.00 N ATOM 0 H ARG A 42 -5.963 -3.995 0.654 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.841 -3.673 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.140 -4.682 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.443 -4.624 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.228 -2.175 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.859 -2.200 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.238 -2.959 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.600 -3.258 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.864 -0.841 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.673 -1.886 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.730 -0.334 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.927 1.155 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.997 1.377 -2.779 1.00 0.00 H new ATOM 525 N ASP A 43 -8.452 -6.229 3.085 1.00 0.00 N ATOM 526 CA ASP A 43 -8.503 -7.629 3.483 1.00 0.00 C ATOM 527 C ASP A 43 -9.203 -8.440 2.408 1.00 0.00 C ATOM 528 O ASP A 43 -9.480 -7.939 1.318 1.00 0.00 O ATOM 529 CB ASP A 43 -9.230 -7.796 4.822 1.00 0.00 C ATOM 530 CG ASP A 43 -10.738 -7.846 4.670 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.320 -6.900 4.101 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.336 -8.868 5.072 1.00 0.00 O ATOM 0 H ASP A 43 -9.298 -5.699 3.292 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.482 -7.990 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.888 -8.711 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.963 -6.970 5.481 1.00 0.00 H new ATOM 537 N THR A 44 -9.505 -9.681 2.729 1.00 0.00 N ATOM 538 CA THR A 44 -10.095 -10.595 1.774 1.00 0.00 C ATOM 539 C THR A 44 -11.549 -10.219 1.458 1.00 0.00 C ATOM 540 O THR A 44 -12.108 -10.659 0.451 1.00 0.00 O ATOM 541 CB THR A 44 -10.023 -12.032 2.304 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.049 -12.102 3.358 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.619 -12.981 1.193 1.00 0.00 C ATOM 0 H THR A 44 -9.349 -10.082 3.654 1.00 0.00 H new ATOM 0 HA THR A 44 -9.524 -10.525 0.848 1.00 0.00 H new ATOM 0 HB THR A 44 -11.005 -12.319 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.002 -13.019 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.572 -13.998 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.354 -12.934 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.641 -12.694 0.807 1.00 0.00 H new ATOM 551 N GLU A 45 -12.155 -9.398 2.311 1.00 0.00 N ATOM 552 CA GLU A 45 -13.505 -8.913 2.070 1.00 0.00 C ATOM 553 C GLU A 45 -13.443 -7.623 1.258 1.00 0.00 C ATOM 554 O GLU A 45 -14.385 -7.271 0.546 1.00 0.00 O ATOM 555 CB GLU A 45 -14.234 -8.679 3.396 1.00 0.00 C ATOM 556 CG GLU A 45 -15.705 -8.326 3.237 1.00 0.00 C ATOM 557 CD GLU A 45 -16.456 -8.347 4.551 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.270 -7.422 5.364 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.241 -9.294 4.780 1.00 0.00 O ATOM 0 H GLU A 45 -11.731 -9.057 3.174 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.061 -9.663 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.150 -9.577 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.734 -7.876 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.790 -7.335 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.170 -9.029 2.546 1.00 0.00 H new ATOM 566 N GLY A 46 -12.317 -6.929 1.360 1.00 0.00 N ATOM 567 CA GLY A 46 -12.130 -5.706 0.612 1.00 0.00 C ATOM 568 C GLY A 46 -12.254 -4.476 1.482 1.00 0.00 C ATOM 569 O GLY A 46 -12.464 -3.370 0.977 1.00 0.00 O ATOM 0 H GLY A 46 -11.529 -7.194 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.147 -5.718 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.867 -5.657 -0.190 1.00 0.00 H new ATOM 573 N ARG A 47 -12.127 -4.662 2.788 1.00 0.00 N ATOM 574 CA ARG A 47 -12.172 -3.555 3.717 1.00 0.00 C ATOM 575 C ARG A 47 -10.787 -2.938 3.849 1.00 0.00 C ATOM 576 O ARG A 47 -9.785 -3.654 3.844 1.00 0.00 O ATOM 577 CB ARG A 47 -12.647 -4.034 5.082 1.00 0.00 C ATOM 578 CG ARG A 47 -13.969 -4.773 5.050 1.00 0.00 C ATOM 579 CD ARG A 47 -14.400 -5.180 6.448 1.00 0.00 C ATOM 580 NE ARG A 47 -13.317 -5.826 7.188 1.00 0.00 N ATOM 581 CZ ARG A 47 -13.281 -7.124 7.479 1.00 0.00 C ATOM 582 NH1 ARG A 47 -14.242 -7.935 7.055 1.00 0.00 N ATOM 583 NH2 ARG A 47 -12.269 -7.619 8.183 1.00 0.00 N ATOM 0 H ARG A 47 -11.992 -5.574 3.224 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.869 -2.807 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.887 -4.688 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.739 -3.174 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.733 -4.139 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.879 -5.659 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.738 -4.299 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.250 -5.859 6.382 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.540 -5.245 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.015 -7.565 6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.208 -8.929 7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.520 -7.004 8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.241 -8.614 8.406 1.00 0.00 H new ATOM 597 N MET A 48 -10.721 -1.620 3.961 1.00 0.00 N ATOM 598 CA MET A 48 -9.436 -0.945 4.092 1.00 0.00 C ATOM 599 C MET A 48 -8.894 -1.068 5.510 1.00 0.00 C ATOM 600 O MET A 48 -9.378 -0.424 6.441 1.00 0.00 O ATOM 601 CB MET A 48 -9.516 0.528 3.679 1.00 0.00 C ATOM 602 CG MET A 48 -10.666 1.306 4.298 1.00 0.00 C ATOM 603 SD MET A 48 -10.628 3.052 3.846 1.00 0.00 S ATOM 604 CE MET A 48 -10.503 2.940 2.062 1.00 0.00 C ATOM 0 H MET A 48 -11.532 -1.001 3.964 1.00 0.00 H new ATOM 0 HA MET A 48 -8.747 -1.443 3.410 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.580 1.017 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.603 0.582 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.612 0.870 3.977 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.624 1.212 5.383 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.871 3.863 1.613 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.461 2.789 1.779 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.101 2.101 1.707 1.00 0.00 H new ATOM 614 N VAL A 49 -7.896 -1.919 5.666 1.00 0.00 N ATOM 615 CA VAL A 49 -7.239 -2.105 6.947 1.00 0.00 C ATOM 616 C VAL A 49 -6.105 -1.094 7.095 1.00 0.00 C ATOM 617 O VAL A 49 -5.851 -0.568 8.179 1.00 0.00 O ATOM 618 CB VAL A 49 -6.682 -3.537 7.076 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.178 -3.800 8.486 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.738 -4.559 6.678 1.00 0.00 C ATOM 0 H VAL A 49 -7.520 -2.497 4.914 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.973 -1.949 7.738 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.836 -3.636 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.790 -4.817 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.384 -3.093 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.998 -3.679 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.327 -5.564 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.606 -4.458 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.038 -4.388 5.644 1.00 0.00 H new ATOM 630 N TRP A 50 -5.443 -0.817 5.985 1.00 0.00 N ATOM 631 CA TRP A 50 -4.367 0.161 5.940 1.00 0.00 C ATOM 632 C TRP A 50 -4.519 0.988 4.685 1.00 0.00 C ATOM 633 O TRP A 50 -4.585 0.447 3.592 1.00 0.00 O ATOM 634 CB TRP A 50 -2.992 -0.535 5.965 1.00 0.00 C ATOM 635 CG TRP A 50 -1.817 0.411 6.039 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.046 0.687 7.132 1.00 0.00 C ATOM 637 CD2 TRP A 50 -1.277 1.196 4.973 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.071 1.595 6.811 1.00 0.00 N ATOM 639 CE2 TRP A 50 -0.190 1.923 5.491 1.00 0.00 C ATOM 640 CE3 TRP A 50 -1.610 1.352 3.633 1.00 0.00 C ATOM 641 CZ2 TRP A 50 0.560 2.795 4.709 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -0.872 2.212 2.862 1.00 0.00 C ATOM 643 CH2 TRP A 50 0.205 2.927 3.396 1.00 0.00 C ATOM 0 H TRP A 50 -5.636 -1.263 5.088 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.425 0.806 6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.955 -1.209 6.821 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.893 -1.150 5.070 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.185 0.251 8.110 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.629 1.965 7.453 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.437 0.804 3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.391 3.347 5.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.127 2.340 1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.766 3.595 2.759 1.00 0.00 H new ATOM 654 N ARG A 51 -4.615 2.291 4.843 1.00 0.00 N ATOM 655 CA ARG A 51 -4.606 3.182 3.701 1.00 0.00 C ATOM 656 C ARG A 51 -3.990 4.515 4.087 1.00 0.00 C ATOM 657 O ARG A 51 -4.449 5.195 5.009 1.00 0.00 O ATOM 658 CB ARG A 51 -6.010 3.322 3.082 1.00 0.00 C ATOM 659 CG ARG A 51 -7.101 3.822 4.021 1.00 0.00 C ATOM 660 CD ARG A 51 -7.227 5.336 4.004 1.00 0.00 C ATOM 661 NE ARG A 51 -8.272 5.802 4.916 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.035 6.315 6.123 1.00 0.00 C ATOM 663 NH1 ARG A 51 -6.789 6.440 6.563 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.043 6.702 6.896 1.00 0.00 N ATOM 0 H ARG A 51 -4.700 2.756 5.747 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.981 2.750 2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.946 4.004 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.312 2.351 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.054 3.377 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.884 3.489 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.273 5.784 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.452 5.671 2.991 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.242 5.730 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.009 6.143 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.612 6.833 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.004 6.607 6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.857 7.094 7.819 1.00 0.00 H new ATOM 678 N ALA A 52 -2.915 4.850 3.401 1.00 0.00 N ATOM 679 CA ALA A 52 -2.133 6.031 3.703 1.00 0.00 C ATOM 680 C ALA A 52 -1.390 6.475 2.454 1.00 0.00 C ATOM 681 O ALA A 52 -1.426 5.782 1.435 1.00 0.00 O ATOM 682 CB ALA A 52 -1.166 5.743 4.848 1.00 0.00 C ATOM 0 H ALA A 52 -2.558 4.307 2.615 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.793 6.838 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.583 6.638 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.729 5.451 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.494 4.934 4.562 1.00 0.00 H new ATOM 688 N TRP A 53 -0.716 7.610 2.528 1.00 0.00 N ATOM 689 CA TRP A 53 -0.076 8.189 1.369 1.00 0.00 C ATOM 690 C TRP A 53 1.384 7.755 1.283 1.00 0.00 C ATOM 691 O TRP A 53 1.787 6.750 1.868 1.00 0.00 O ATOM 692 CB TRP A 53 -0.168 9.710 1.445 1.00 0.00 C ATOM 693 CG TRP A 53 -1.554 10.218 1.516 1.00 0.00 C ATOM 694 CD1 TRP A 53 -2.273 10.393 2.638 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.380 10.636 0.424 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.508 10.889 2.329 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.602 11.047 0.972 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.204 10.699 -0.961 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.654 11.516 0.188 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.245 11.164 -1.741 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.456 11.569 -1.165 1.00 0.00 C ATOM 0 H TRP A 53 -0.600 8.148 3.386 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.587 7.838 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.381 10.055 2.321 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.323 10.139 0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.926 10.174 3.637 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.243 11.107 3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.273 10.390 -1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.589 11.826 0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.123 11.216 -2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.250 11.931 -1.802 1.00 0.00 H new ATOM 712 N ASN A 54 2.168 8.529 0.554 1.00 0.00 N ATOM 713 CA ASN A 54 3.563 8.189 0.300 1.00 0.00 C ATOM 714 C ASN A 54 4.505 9.134 1.037 1.00 0.00 C ATOM 715 O ASN A 54 5.581 8.738 1.476 1.00 0.00 O ATOM 716 CB ASN A 54 3.850 8.243 -1.203 1.00 0.00 C ATOM 717 CG ASN A 54 5.267 7.827 -1.544 1.00 0.00 C ATOM 718 OD1 ASN A 54 6.171 8.794 -1.623 1.00 0.00 O flip ATOM 719 ND2 ASN A 54 5.541 6.650 -1.747 1.00 0.00 N flip ATOM 0 H ASN A 54 1.863 9.402 0.124 1.00 0.00 H new ATOM 0 HA ASN A 54 3.735 7.178 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.149 7.592 -1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.676 9.256 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.815 5.938 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.496 6.383 -1.987 1.00 0.00 H new ATOM 726 N PHE A 55 4.076 10.380 1.190 1.00 0.00 N ATOM 727 CA PHE A 55 4.908 11.424 1.789 1.00 0.00 C ATOM 728 C PHE A 55 4.930 11.333 3.315 1.00 0.00 C ATOM 729 O PHE A 55 5.012 12.347 4.010 1.00 0.00 O ATOM 730 CB PHE A 55 4.415 12.805 1.342 1.00 0.00 C ATOM 731 CG PHE A 55 2.920 13.001 1.446 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.324 13.307 2.660 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.113 12.886 0.323 1.00 0.00 C ATOM 734 CE1 PHE A 55 0.958 13.493 2.752 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.746 13.071 0.410 1.00 0.00 C ATOM 736 CZ PHE A 55 0.169 13.375 1.626 1.00 0.00 C ATOM 0 H PHE A 55 3.149 10.697 0.906 1.00 0.00 H new ATOM 0 HA PHE A 55 5.930 11.275 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.911 13.566 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.719 12.968 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.936 13.401 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.559 12.649 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.508 13.731 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.130 12.978 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.899 13.520 1.696 1.00 0.00 H new ATOM 746 N GLU A 56 4.883 10.115 3.827 1.00 0.00 N ATOM 747 CA GLU A 56 4.905 9.886 5.260 1.00 0.00 C ATOM 748 C GLU A 56 6.225 9.230 5.666 1.00 0.00 C ATOM 749 O GLU A 56 6.688 8.297 5.007 1.00 0.00 O ATOM 750 CB GLU A 56 3.702 9.038 5.668 1.00 0.00 C ATOM 751 CG GLU A 56 2.380 9.726 5.363 1.00 0.00 C ATOM 752 CD GLU A 56 1.170 8.918 5.780 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.064 8.569 6.975 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.306 8.650 4.921 1.00 0.00 O ATOM 0 H GLU A 56 4.829 9.265 3.266 1.00 0.00 H new ATOM 0 HA GLU A 56 4.835 10.839 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.740 8.082 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.758 8.821 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.356 10.690 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.322 9.927 4.293 1.00 0.00 H new ATOM 761 N PRO A 57 6.837 9.726 6.758 1.00 0.00 N ATOM 762 CA PRO A 57 8.207 9.361 7.171 1.00 0.00 C ATOM 763 C PRO A 57 8.458 7.856 7.264 1.00 0.00 C ATOM 764 O PRO A 57 9.570 7.394 7.009 1.00 0.00 O ATOM 765 CB PRO A 57 8.358 10.005 8.556 1.00 0.00 C ATOM 766 CG PRO A 57 6.981 10.417 8.962 1.00 0.00 C ATOM 767 CD PRO A 57 6.238 10.687 7.691 1.00 0.00 C ATOM 0 HA PRO A 57 8.928 9.706 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.783 9.301 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.028 10.864 8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.493 9.632 9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.010 11.305 9.593 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.166 10.526 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.371 11.715 7.355 1.00 0.00 H new ATOM 775 N ASP A 58 7.444 7.095 7.635 1.00 0.00 N ATOM 776 CA ASP A 58 7.587 5.649 7.739 1.00 0.00 C ATOM 777 C ASP A 58 6.383 4.947 7.132 1.00 0.00 C ATOM 778 O ASP A 58 5.878 3.966 7.679 1.00 0.00 O ATOM 779 CB ASP A 58 7.798 5.215 9.200 1.00 0.00 C ATOM 780 CG ASP A 58 6.751 5.765 10.151 1.00 0.00 C ATOM 781 OD1 ASP A 58 5.660 5.168 10.265 1.00 0.00 O ATOM 782 OD2 ASP A 58 7.019 6.799 10.796 1.00 0.00 O ATOM 0 H ASP A 58 6.516 7.449 7.869 1.00 0.00 H new ATOM 0 HA ASP A 58 8.473 5.356 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.789 4.126 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.784 5.542 9.529 1.00 0.00 H new ATOM 787 N ALA A 59 5.958 5.424 5.963 1.00 0.00 N ATOM 788 CA ALA A 59 4.797 4.863 5.286 1.00 0.00 C ATOM 789 C ALA A 59 4.999 3.377 4.999 1.00 0.00 C ATOM 790 O ALA A 59 4.091 2.566 5.186 1.00 0.00 O ATOM 791 CB ALA A 59 4.520 5.626 4.000 1.00 0.00 C ATOM 0 H ALA A 59 6.402 6.197 5.468 1.00 0.00 H new ATOM 0 HA ALA A 59 3.933 4.963 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.650 5.197 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.326 6.673 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.386 5.555 3.341 1.00 0.00 H new ATOM 797 N GLY A 60 6.207 3.024 4.573 1.00 0.00 N ATOM 798 CA GLY A 60 6.522 1.640 4.293 1.00 0.00 C ATOM 799 C GLY A 60 6.576 0.792 5.544 1.00 0.00 C ATOM 800 O GLY A 60 6.312 -0.409 5.501 1.00 0.00 O ATOM 0 H GLY A 60 6.975 3.677 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.774 1.231 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.482 1.586 3.780 1.00 0.00 H new ATOM 804 N GLU A 61 6.899 1.418 6.667 1.00 0.00 N ATOM 805 CA GLU A 61 6.975 0.711 7.934 1.00 0.00 C ATOM 806 C GLU A 61 5.569 0.384 8.426 1.00 0.00 C ATOM 807 O GLU A 61 5.340 -0.665 9.026 1.00 0.00 O ATOM 808 CB GLU A 61 7.733 1.537 8.972 1.00 0.00 C ATOM 809 CG GLU A 61 8.121 0.748 10.210 1.00 0.00 C ATOM 810 CD GLU A 61 8.830 1.599 11.241 1.00 0.00 C ATOM 811 OE1 GLU A 61 10.062 1.782 11.126 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.162 2.084 12.176 1.00 0.00 O ATOM 0 H GLU A 61 7.112 2.414 6.725 1.00 0.00 H new ATOM 0 HA GLU A 61 7.522 -0.220 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.634 1.944 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.117 2.385 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.226 0.314 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.767 -0.081 9.921 1.00 0.00 H new ATOM 819 N GLY A 62 4.629 1.282 8.150 1.00 0.00 N ATOM 820 CA GLY A 62 3.234 1.012 8.451 1.00 0.00 C ATOM 821 C GLY A 62 2.710 -0.165 7.649 1.00 0.00 C ATOM 822 O GLY A 62 1.977 -1.014 8.162 1.00 0.00 O ATOM 0 H GLY A 62 4.807 2.191 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.124 0.806 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.636 1.897 8.234 1.00 0.00 H new ATOM 826 N LEU A 63 3.095 -0.218 6.382 1.00 0.00 N ATOM 827 CA LEU A 63 2.759 -1.340 5.518 1.00 0.00 C ATOM 828 C LEU A 63 3.415 -2.617 6.030 1.00 0.00 C ATOM 829 O LEU A 63 2.796 -3.680 6.035 1.00 0.00 O ATOM 830 CB LEU A 63 3.199 -1.041 4.088 1.00 0.00 C ATOM 831 CG LEU A 63 2.358 0.016 3.375 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.215 0.837 2.427 1.00 0.00 C ATOM 833 CD2 LEU A 63 1.226 -0.644 2.608 1.00 0.00 C ATOM 0 H LEU A 63 3.645 0.510 5.927 1.00 0.00 H new ATOM 0 HA LEU A 63 1.679 -1.487 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.238 -0.712 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.165 -1.965 3.510 1.00 0.00 H new ATOM 0 HG LEU A 63 1.938 0.683 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.595 1.583 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.004 1.336 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.662 0.181 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.634 0.120 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.639 -1.330 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.591 -1.197 3.300 1.00 0.00 H new ATOM 845 N ASN A 64 4.665 -2.498 6.469 1.00 0.00 N ATOM 846 CA ASN A 64 5.378 -3.600 7.106 1.00 0.00 C ATOM 847 C ASN A 64 4.595 -4.119 8.308 1.00 0.00 C ATOM 848 O ASN A 64 4.618 -5.308 8.616 1.00 0.00 O ATOM 849 CB ASN A 64 6.745 -3.122 7.586 1.00 0.00 C ATOM 850 CG ASN A 64 7.855 -4.104 7.291 1.00 0.00 C ATOM 851 OD1 ASN A 64 8.122 -5.019 8.070 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.526 -3.902 6.171 1.00 0.00 N ATOM 0 H ASN A 64 5.210 -1.639 6.394 1.00 0.00 H new ATOM 0 HA ASN A 64 5.494 -4.400 6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.977 -2.168 7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.703 -2.942 8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.300 -4.517 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.270 -3.131 5.555 1.00 0.00 H new ATOM 859 N ARG A 65 3.911 -3.203 8.984 1.00 0.00 N ATOM 860 CA ARG A 65 3.106 -3.535 10.145 1.00 0.00 C ATOM 861 C ARG A 65 1.851 -4.307 9.743 1.00 0.00 C ATOM 862 O ARG A 65 1.332 -5.104 10.524 1.00 0.00 O ATOM 863 CB ARG A 65 2.748 -2.260 10.905 1.00 0.00 C ATOM 864 CG ARG A 65 3.937 -1.641 11.625 1.00 0.00 C ATOM 865 CD ARG A 65 3.672 -0.196 12.024 1.00 0.00 C ATOM 866 NE ARG A 65 2.447 -0.048 12.806 1.00 0.00 N ATOM 867 CZ ARG A 65 2.421 0.212 14.112 1.00 0.00 C ATOM 868 NH1 ARG A 65 3.555 0.355 14.791 1.00 0.00 N ATOM 869 NH2 ARG A 65 1.254 0.346 14.734 1.00 0.00 N ATOM 0 H ARG A 65 3.901 -2.213 8.740 1.00 0.00 H new ATOM 0 HA ARG A 65 3.688 -4.183 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.334 -1.532 10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.967 -2.484 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.167 -2.227 12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.814 -1.684 10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.516 0.179 12.603 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.603 0.419 11.127 1.00 0.00 H new ATOM 0 HE ARG A 65 1.555 -0.150 12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.451 0.266 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.529 0.554 15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.383 0.250 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.229 0.545 15.734 1.00 0.00 H new ATOM 883 N TYR A 66 1.351 -4.078 8.531 1.00 0.00 N ATOM 884 CA TYR A 66 0.268 -4.904 8.009 1.00 0.00 C ATOM 885 C TYR A 66 0.818 -6.255 7.562 1.00 0.00 C ATOM 886 O TYR A 66 0.317 -7.305 7.961 1.00 0.00 O ATOM 887 CB TYR A 66 -0.451 -4.225 6.835 1.00 0.00 C ATOM 888 CG TYR A 66 -1.600 -5.048 6.280 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.372 -6.085 5.379 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.910 -4.799 6.669 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.413 -6.844 4.882 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.957 -5.556 6.178 1.00 0.00 C ATOM 893 CZ TYR A 66 -3.704 -6.577 5.285 1.00 0.00 C ATOM 894 OH TYR A 66 -4.741 -7.337 4.795 1.00 0.00 O ATOM 0 H TYR A 66 1.672 -3.341 7.903 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.458 -5.045 8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.831 -3.257 7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.268 -4.034 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.362 -6.300 5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.114 -4.000 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.217 -7.642 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.969 -5.349 6.492 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.184 -6.855 4.066 1.00 0.00 H new ATOM 904 N ILE A 67 1.862 -6.213 6.736 1.00 0.00 N ATOM 905 CA ILE A 67 2.484 -7.424 6.195 1.00 0.00 C ATOM 906 C ILE A 67 3.063 -8.299 7.317 1.00 0.00 C ATOM 907 O ILE A 67 3.397 -9.464 7.106 1.00 0.00 O ATOM 908 CB ILE A 67 3.586 -7.066 5.167 1.00 0.00 C ATOM 909 CG1 ILE A 67 3.028 -6.092 4.123 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.110 -8.323 4.477 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.069 -5.579 3.149 1.00 0.00 C ATOM 0 H ILE A 67 2.299 -5.346 6.424 1.00 0.00 H new ATOM 0 HA ILE A 67 1.708 -7.995 5.685 1.00 0.00 H new ATOM 0 HB ILE A 67 4.413 -6.593 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.234 -6.588 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.575 -5.244 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.883 -8.049 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.530 -8.999 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.292 -8.820 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.600 -4.896 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.852 -5.054 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.506 -6.418 2.608 1.00 0.00 H new ATOM 923 N ARG A 68 3.161 -7.725 8.513 1.00 0.00 N ATOM 924 CA ARG A 68 3.540 -8.460 9.720 1.00 0.00 C ATOM 925 C ARG A 68 2.719 -9.747 9.880 1.00 0.00 C ATOM 926 O ARG A 68 3.222 -10.752 10.380 1.00 0.00 O ATOM 927 CB ARG A 68 3.340 -7.561 10.948 1.00 0.00 C ATOM 928 CG ARG A 68 3.577 -8.259 12.278 1.00 0.00 C ATOM 929 CD ARG A 68 5.038 -8.622 12.471 1.00 0.00 C ATOM 930 NE ARG A 68 5.241 -9.415 13.681 1.00 0.00 N ATOM 931 CZ ARG A 68 6.097 -9.097 14.649 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.793 -7.968 14.586 1.00 0.00 N ATOM 933 NH2 ARG A 68 6.237 -9.907 15.690 1.00 0.00 N ATOM 0 H ARG A 68 2.980 -6.734 8.675 1.00 0.00 H new ATOM 0 HA ARG A 68 4.589 -8.743 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.014 -6.708 10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.324 -7.166 10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.253 -7.610 13.092 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.968 -9.162 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.392 -9.182 11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.635 -7.712 12.528 1.00 0.00 H new ATOM 0 HE ARG A 68 4.691 -10.267 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.673 -7.339 13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.447 -7.730 15.331 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.691 -10.767 15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.891 -9.670 16.436 1.00 0.00 H new ATOM 947 N THR A 69 1.466 -9.716 9.435 1.00 0.00 N ATOM 948 CA THR A 69 0.572 -10.857 9.584 1.00 0.00 C ATOM 949 C THR A 69 0.630 -11.746 8.333 1.00 0.00 C ATOM 950 O THR A 69 -0.345 -12.409 7.972 1.00 0.00 O ATOM 951 CB THR A 69 -0.881 -10.383 9.867 1.00 0.00 C ATOM 952 OG1 THR A 69 -1.704 -11.485 10.274 1.00 0.00 O ATOM 953 CG2 THR A 69 -1.500 -9.714 8.646 1.00 0.00 C ATOM 0 H THR A 69 1.048 -8.912 8.968 1.00 0.00 H new ATOM 0 HA THR A 69 0.902 -11.449 10.438 1.00 0.00 H new ATOM 0 HB THR A 69 -0.829 -9.652 10.674 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.610 -12.218 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.516 -9.396 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.904 -8.846 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.524 -10.421 7.817 1.00 0.00 H new ATOM 961 N SER A 70 1.797 -11.734 7.678 1.00 0.00 N ATOM 962 CA SER A 70 2.088 -12.568 6.504 1.00 0.00 C ATOM 963 C SER A 70 1.494 -11.964 5.231 1.00 0.00 C ATOM 964 O SER A 70 1.998 -12.184 4.133 1.00 0.00 O ATOM 965 CB SER A 70 1.574 -14.001 6.696 1.00 0.00 C ATOM 966 OG SER A 70 2.147 -14.892 5.748 1.00 0.00 O ATOM 0 H SER A 70 2.577 -11.137 7.952 1.00 0.00 H new ATOM 0 HA SER A 70 3.172 -12.602 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.809 -14.341 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.488 -14.015 6.600 1.00 0.00 H new ATOM 0 HG SER A 70 1.801 -15.796 5.898 1.00 0.00 H new ATOM 972 N GLY A 71 0.426 -11.201 5.382 1.00 0.00 N ATOM 973 CA GLY A 71 -0.233 -10.628 4.232 1.00 0.00 C ATOM 974 C GLY A 71 -1.195 -11.603 3.589 1.00 0.00 C ATOM 975 O GLY A 71 -1.437 -12.690 4.114 1.00 0.00 O ATOM 0 H GLY A 71 0.004 -10.968 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.773 -9.730 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.515 -10.320 3.501 1.00 0.00 H new ATOM 979 N ILE A 72 -1.726 -11.227 2.441 1.00 0.00 N ATOM 980 CA ILE A 72 -2.750 -12.023 1.769 1.00 0.00 C ATOM 981 C ILE A 72 -2.136 -12.837 0.623 1.00 0.00 C ATOM 982 O ILE A 72 -2.832 -13.464 -0.169 1.00 0.00 O ATOM 983 CB ILE A 72 -3.924 -11.131 1.286 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.437 -10.283 2.457 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.068 -11.963 0.713 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.782 -11.091 3.697 1.00 0.00 C ATOM 0 H ILE A 72 -1.467 -10.372 1.948 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.164 -12.730 2.488 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.552 -10.486 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.680 -9.543 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.322 -9.734 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.870 -11.302 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.706 -12.543 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.445 -12.640 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.137 -10.421 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.562 -11.813 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.895 -11.619 4.046 1.00 0.00 H new ATOM 998 N ARG A 73 -0.805 -12.808 0.547 1.00 0.00 N ATOM 999 CA ARG A 73 -0.038 -13.553 -0.468 1.00 0.00 C ATOM 1000 C ARG A 73 -0.446 -15.026 -0.551 1.00 0.00 C ATOM 1001 O ARG A 73 -0.204 -15.687 -1.561 1.00 0.00 O ATOM 1002 CB ARG A 73 1.440 -13.489 -0.131 1.00 0.00 C ATOM 1003 CG ARG A 73 1.759 -14.099 1.225 1.00 0.00 C ATOM 1004 CD ARG A 73 3.238 -14.017 1.565 1.00 0.00 C ATOM 1005 NE ARG A 73 3.482 -14.411 2.950 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.675 -14.385 3.535 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.760 -14.098 2.829 1.00 0.00 N ATOM 1008 NH2 ARG A 73 4.779 -14.674 4.826 1.00 0.00 N ATOM 0 H ARG A 73 -0.222 -12.268 1.186 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.249 -13.087 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.007 -14.010 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.767 -12.449 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.183 -13.586 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.445 -15.143 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.805 -14.663 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.595 -13.000 1.405 1.00 0.00 H new ATOM 0 HE ARG A 73 2.686 -14.726 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.681 -13.896 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.673 -14.079 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.946 -14.914 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.692 -14.656 5.281 1.00 0.00 H new