USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 16 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 18 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.33) USER MOD Single : A 21 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.958 USER MOD Single : A 23 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 26 ASN : amide:sc= -5.68! C(o=-5.7!,f=-10!) USER MOD Single : A 28 THR OG1 : rot 55:sc= 1.27 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 48 MET CE :methyl -161:sc= -0.0807 (180deg=-0.53) USER MOD Single : A 54 ASN : amide:sc= 0.643 K(o=0.64,f=-0.29) USER MOD Single : A 64 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.8!) USER MOD Single : A 66 TYR OH : rot 0:sc=-0.00278 USER MOD Single : A 69 THR OG1 : rot -77:sc= 0.0813 USER MOD Single : A 70 SER OG : rot 87:sc= 0.999 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.924 3.272 5.105 1.00 0.00 N ATOM 2 CA GLY A 10 9.984 4.355 5.329 1.00 0.00 C ATOM 3 C GLY A 10 9.168 4.698 4.095 1.00 0.00 C ATOM 4 O GLY A 10 8.282 3.932 3.715 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.309 4.081 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.530 5.241 5.655 1.00 0.00 H new ATOM 8 N PRO A 11 9.421 5.856 3.463 1.00 0.00 N ATOM 9 CA PRO A 11 8.725 6.252 2.240 1.00 0.00 C ATOM 10 C PRO A 11 9.083 5.363 1.054 1.00 0.00 C ATOM 11 O PRO A 11 10.154 4.755 1.004 1.00 0.00 O ATOM 12 CB PRO A 11 9.194 7.685 1.988 1.00 0.00 C ATOM 13 CG PRO A 11 10.493 7.793 2.706 1.00 0.00 C ATOM 14 CD PRO A 11 10.390 6.880 3.897 1.00 0.00 C ATOM 0 HA PRO A 11 7.644 6.163 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.314 7.880 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.472 8.409 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.321 7.499 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.681 8.820 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.354 6.439 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.042 7.413 4.782 1.00 0.00 H new ATOM 22 N PHE A 12 8.174 5.295 0.105 1.00 0.00 N ATOM 23 CA PHE A 12 8.343 4.428 -1.060 1.00 0.00 C ATOM 24 C PHE A 12 8.175 5.194 -2.372 1.00 0.00 C ATOM 25 O PHE A 12 8.109 6.421 -2.385 1.00 0.00 O ATOM 26 CB PHE A 12 7.339 3.274 -0.993 1.00 0.00 C ATOM 27 CG PHE A 12 5.900 3.702 -0.847 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.417 4.157 0.370 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.026 3.624 -1.917 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.096 4.527 0.512 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.702 3.998 -1.777 1.00 0.00 C ATOM 32 CZ PHE A 12 3.238 4.448 -0.560 1.00 0.00 C ATOM 0 H PHE A 12 7.305 5.829 0.110 1.00 0.00 H new ATOM 0 HA PHE A 12 9.360 4.035 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.436 2.673 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.600 2.631 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.083 4.223 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.382 3.267 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.735 4.879 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.032 3.937 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.204 4.738 -0.448 1.00 0.00 H new ATOM 42 N THR A 13 8.151 4.456 -3.478 1.00 0.00 N ATOM 43 CA THR A 13 7.848 5.018 -4.790 1.00 0.00 C ATOM 44 C THR A 13 6.698 4.234 -5.408 1.00 0.00 C ATOM 45 O THR A 13 6.251 3.246 -4.824 1.00 0.00 O ATOM 46 CB THR A 13 9.062 4.942 -5.739 1.00 0.00 C ATOM 47 OG1 THR A 13 9.322 3.576 -6.094 1.00 0.00 O ATOM 48 CG2 THR A 13 10.299 5.528 -5.082 1.00 0.00 C ATOM 0 H THR A 13 8.341 3.454 -3.490 1.00 0.00 H new ATOM 0 HA THR A 13 7.583 6.067 -4.655 1.00 0.00 H new ATOM 0 HB THR A 13 8.828 5.519 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.093 3.536 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.142 5.463 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.116 6.572 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.528 4.970 -4.174 1.00 0.00 H new ATOM 56 N ARG A 14 6.223 4.648 -6.578 1.00 0.00 N ATOM 57 CA ARG A 14 5.225 3.870 -7.290 1.00 0.00 C ATOM 58 C ARG A 14 5.806 2.539 -7.724 1.00 0.00 C ATOM 59 O ARG A 14 5.173 1.509 -7.567 1.00 0.00 O ATOM 60 CB ARG A 14 4.687 4.626 -8.501 1.00 0.00 C ATOM 61 CG ARG A 14 3.509 5.513 -8.164 1.00 0.00 C ATOM 62 CD ARG A 14 3.021 6.297 -9.366 1.00 0.00 C ATOM 63 NE ARG A 14 4.045 7.184 -9.914 1.00 0.00 N ATOM 64 CZ ARG A 14 3.780 8.183 -10.753 1.00 0.00 C ATOM 65 NH1 ARG A 14 2.533 8.405 -11.154 1.00 0.00 N ATOM 66 NH2 ARG A 14 4.760 8.958 -11.199 1.00 0.00 N ATOM 0 H ARG A 14 6.511 5.507 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 14 4.394 3.693 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.484 5.235 -8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.389 3.910 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.695 4.901 -7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.793 6.205 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.696 5.602 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.150 6.887 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 14 5.015 7.029 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.776 7.809 -10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.333 9.171 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.720 8.789 -10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.553 9.723 -11.842 1.00 0.00 H new ATOM 80 N ARG A 15 7.026 2.568 -8.246 1.00 0.00 N ATOM 81 CA ARG A 15 7.700 1.357 -8.684 1.00 0.00 C ATOM 82 C ARG A 15 7.805 0.350 -7.545 1.00 0.00 C ATOM 83 O ARG A 15 7.493 -0.833 -7.716 1.00 0.00 O ATOM 84 CB ARG A 15 9.090 1.691 -9.214 1.00 0.00 C ATOM 85 CG ARG A 15 9.084 2.363 -10.577 1.00 0.00 C ATOM 86 CD ARG A 15 10.497 2.578 -11.091 1.00 0.00 C ATOM 87 NE ARG A 15 11.284 1.346 -11.046 1.00 0.00 N ATOM 88 CZ ARG A 15 11.973 0.857 -12.073 1.00 0.00 C ATOM 89 NH1 ARG A 15 11.971 1.483 -13.245 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.667 -0.263 -11.918 1.00 0.00 N ATOM 0 H ARG A 15 7.569 3.422 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 15 7.110 0.910 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.593 2.343 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.675 0.773 -9.275 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.526 1.750 -11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.569 3.321 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.459 2.948 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.989 3.346 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 15 11.306 0.827 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.438 2.345 -13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.502 1.102 -14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.669 -0.741 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.199 -0.646 -12.700 1.00 0.00 H new ATOM 104 N GLN A 16 8.230 0.826 -6.379 1.00 0.00 N ATOM 105 CA GLN A 16 8.340 -0.033 -5.210 1.00 0.00 C ATOM 106 C GLN A 16 6.963 -0.532 -4.801 1.00 0.00 C ATOM 107 O GLN A 16 6.758 -1.727 -4.612 1.00 0.00 O ATOM 108 CB GLN A 16 8.995 0.710 -4.039 1.00 0.00 C ATOM 109 CG GLN A 16 10.376 1.274 -4.351 1.00 0.00 C ATOM 110 CD GLN A 16 11.316 0.254 -4.964 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.390 0.118 -6.184 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.046 -0.458 -4.124 1.00 0.00 N ATOM 0 H GLN A 16 8.502 1.796 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 16 8.971 -0.883 -5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.342 1.527 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.076 0.030 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.271 2.117 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.819 1.660 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.953 -0.313 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.702 -1.152 -4.481 1.00 0.00 H new ATOM 121 N ALA A 17 6.021 0.397 -4.684 1.00 0.00 N ATOM 122 CA ALA A 17 4.647 0.065 -4.312 1.00 0.00 C ATOM 123 C ALA A 17 4.035 -0.962 -5.263 1.00 0.00 C ATOM 124 O ALA A 17 3.474 -1.966 -4.827 1.00 0.00 O ATOM 125 CB ALA A 17 3.792 1.318 -4.286 1.00 0.00 C ATOM 0 H ALA A 17 6.183 1.392 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 17 4.675 -0.376 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.771 1.056 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.198 2.020 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.792 1.779 -5.274 1.00 0.00 H new ATOM 131 N GLN A 18 4.164 -0.707 -6.559 1.00 0.00 N ATOM 132 CA GLN A 18 3.609 -1.572 -7.589 1.00 0.00 C ATOM 133 C GLN A 18 4.099 -3.009 -7.434 1.00 0.00 C ATOM 134 O GLN A 18 3.337 -3.959 -7.617 1.00 0.00 O ATOM 135 CB GLN A 18 3.984 -1.030 -8.968 1.00 0.00 C ATOM 136 CG GLN A 18 3.230 0.236 -9.360 1.00 0.00 C ATOM 137 CD GLN A 18 1.745 -0.005 -9.530 1.00 0.00 C ATOM 138 OE1 GLN A 18 0.973 0.090 -8.578 1.00 0.00 O ATOM 139 NE2 GLN A 18 1.332 -0.311 -10.748 1.00 0.00 N ATOM 0 H GLN A 18 4.658 0.107 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 18 2.524 -1.581 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.054 -0.825 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.793 -1.801 -9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.386 0.999 -8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.641 0.626 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.004 -0.380 -11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.341 -0.478 -10.924 1.00 0.00 H new ATOM 148 N ALA A 19 5.365 -3.160 -7.069 1.00 0.00 N ATOM 149 CA ALA A 19 5.953 -4.477 -6.862 1.00 0.00 C ATOM 150 C ALA A 19 5.339 -5.186 -5.652 1.00 0.00 C ATOM 151 O ALA A 19 5.278 -6.415 -5.607 1.00 0.00 O ATOM 152 CB ALA A 19 7.459 -4.355 -6.690 1.00 0.00 C ATOM 0 H ALA A 19 6.007 -2.384 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 19 5.738 -5.080 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.889 -5.345 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.892 -3.906 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.677 -3.726 -5.827 1.00 0.00 H new ATOM 158 N VAL A 20 4.822 -4.416 -4.701 1.00 0.00 N ATOM 159 CA VAL A 20 4.337 -4.981 -3.452 1.00 0.00 C ATOM 160 C VAL A 20 2.871 -5.285 -3.617 1.00 0.00 C ATOM 161 O VAL A 20 2.286 -6.079 -2.892 1.00 0.00 O ATOM 162 CB VAL A 20 4.520 -4.008 -2.268 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.146 -4.671 -0.951 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.946 -3.492 -2.211 1.00 0.00 C ATOM 0 H VAL A 20 4.729 -3.403 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 20 4.911 -5.881 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 20 3.850 -3.163 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.285 -3.962 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.103 -4.985 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.782 -5.541 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.052 -2.808 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.632 -4.330 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.180 -2.967 -3.137 1.00 0.00 H new ATOM 174 N THR A 21 2.315 -4.678 -4.640 1.00 0.00 N ATOM 175 CA THR A 21 0.916 -4.800 -4.935 1.00 0.00 C ATOM 176 C THR A 21 0.755 -5.926 -5.931 1.00 0.00 C ATOM 177 O THR A 21 -0.277 -6.592 -6.013 1.00 0.00 O ATOM 178 CB THR A 21 0.381 -3.483 -5.507 1.00 0.00 C ATOM 179 OG1 THR A 21 0.881 -2.381 -4.740 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.117 -3.470 -5.451 1.00 0.00 C ATOM 0 H THR A 21 2.828 -4.084 -5.291 1.00 0.00 H new ATOM 0 HA THR A 21 0.348 -5.019 -4.031 1.00 0.00 H new ATOM 0 HB THR A 21 0.711 -3.394 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.825 -2.234 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.488 -2.530 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.510 -4.301 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.443 -3.570 -4.416 1.00 0.00 H new ATOM 188 N THR A 22 1.819 -6.121 -6.685 1.00 0.00 N ATOM 189 CA THR A 22 2.001 -7.315 -7.465 1.00 0.00 C ATOM 190 C THR A 22 2.143 -8.507 -6.521 1.00 0.00 C ATOM 191 O THR A 22 1.662 -9.609 -6.798 1.00 0.00 O ATOM 192 CB THR A 22 3.256 -7.176 -8.344 1.00 0.00 C ATOM 193 OG1 THR A 22 3.053 -6.155 -9.331 1.00 0.00 O ATOM 194 CG2 THR A 22 3.599 -8.483 -9.018 1.00 0.00 C ATOM 0 H THR A 22 2.581 -5.449 -6.770 1.00 0.00 H new ATOM 0 HA THR A 22 1.139 -7.470 -8.114 1.00 0.00 H new ATOM 0 HB THR A 22 4.090 -6.897 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.131 -5.273 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.490 -8.353 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.788 -9.244 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.767 -8.797 -9.648 1.00 0.00 H new ATOM 202 N THR A 23 2.788 -8.259 -5.386 1.00 0.00 N ATOM 203 CA THR A 23 2.949 -9.270 -4.362 1.00 0.00 C ATOM 204 C THR A 23 1.631 -9.491 -3.612 1.00 0.00 C ATOM 205 O THR A 23 1.127 -10.612 -3.559 1.00 0.00 O ATOM 206 CB THR A 23 4.070 -8.878 -3.377 1.00 0.00 C ATOM 207 OG1 THR A 23 5.276 -8.614 -4.102 1.00 0.00 O ATOM 208 CG2 THR A 23 4.332 -9.983 -2.369 1.00 0.00 C ATOM 0 H THR A 23 3.208 -7.358 -5.157 1.00 0.00 H new ATOM 0 HA THR A 23 3.232 -10.204 -4.848 1.00 0.00 H new ATOM 0 HB THR A 23 3.748 -7.986 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.254 -7.699 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.127 -9.675 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.424 -10.179 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.634 -10.890 -2.893 1.00 0.00 H new ATOM 216 N TYR A 24 1.062 -8.430 -3.046 1.00 0.00 N ATOM 217 CA TYR A 24 -0.193 -8.541 -2.344 1.00 0.00 C ATOM 218 C TYR A 24 -1.269 -7.759 -3.083 1.00 0.00 C ATOM 219 O TYR A 24 -1.301 -6.534 -3.044 1.00 0.00 O ATOM 220 CB TYR A 24 -0.031 -8.027 -0.913 1.00 0.00 C ATOM 221 CG TYR A 24 1.099 -8.693 -0.162 1.00 0.00 C ATOM 222 CD1 TYR A 24 0.969 -9.985 0.320 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.306 -8.032 0.049 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.003 -10.604 0.991 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.347 -8.646 0.718 1.00 0.00 C ATOM 226 CZ TYR A 24 3.189 -9.932 1.188 1.00 0.00 C ATOM 227 OH TYR A 24 4.220 -10.550 1.852 1.00 0.00 O ATOM 0 H TYR A 24 1.457 -7.490 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.497 -9.587 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.143 -6.951 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.962 -8.186 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.042 -10.517 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.430 -7.023 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.883 -11.612 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.279 -8.122 0.872 1.00 0.00 H new ATOM 0 HH TYR A 24 4.986 -9.941 1.906 1.00 0.00 H new ATOM 237 N SER A 25 -2.135 -8.478 -3.779 1.00 0.00 N ATOM 238 CA SER A 25 -3.216 -7.874 -4.545 1.00 0.00 C ATOM 239 C SER A 25 -4.276 -7.269 -3.627 1.00 0.00 C ATOM 240 O SER A 25 -5.206 -6.606 -4.086 1.00 0.00 O ATOM 241 CB SER A 25 -3.829 -8.930 -5.464 1.00 0.00 C ATOM 242 OG SER A 25 -3.994 -10.161 -4.776 1.00 0.00 O ATOM 0 H SER A 25 -2.109 -9.496 -3.830 1.00 0.00 H new ATOM 0 HA SER A 25 -2.812 -7.061 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.794 -8.582 -5.833 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.189 -9.077 -6.334 1.00 0.00 H new ATOM 0 HG SER A 25 -4.389 -10.823 -5.381 1.00 0.00 H new ATOM 248 N ASN A 26 -4.126 -7.499 -2.328 1.00 0.00 N ATOM 249 CA ASN A 26 -5.009 -6.900 -1.338 1.00 0.00 C ATOM 250 C ASN A 26 -4.591 -5.458 -1.082 1.00 0.00 C ATOM 251 O ASN A 26 -5.291 -4.702 -0.410 1.00 0.00 O ATOM 252 CB ASN A 26 -4.993 -7.712 -0.039 1.00 0.00 C ATOM 253 CG ASN A 26 -3.639 -7.714 0.644 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.732 -8.436 0.240 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.515 -6.959 1.720 1.00 0.00 N ATOM 0 H ASN A 26 -3.399 -8.098 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.029 -6.906 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.738 -7.306 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.285 -8.739 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.642 -6.962 2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.292 -6.372 2.024 1.00 0.00 H new ATOM 262 N ILE A 27 -3.446 -5.079 -1.630 1.00 0.00 N ATOM 263 CA ILE A 27 -3.002 -3.695 -1.597 1.00 0.00 C ATOM 264 C ILE A 27 -3.576 -2.981 -2.816 1.00 0.00 C ATOM 265 O ILE A 27 -3.926 -3.634 -3.801 1.00 0.00 O ATOM 266 CB ILE A 27 -1.459 -3.572 -1.622 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.798 -4.658 -0.766 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.028 -2.188 -1.146 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.697 -4.497 -0.631 1.00 0.00 C ATOM 0 H ILE A 27 -2.805 -5.715 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.351 -3.246 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.130 -3.710 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.247 -4.649 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.012 -5.633 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.059 -2.118 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.455 -1.429 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.380 -2.028 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.095 -5.301 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.158 -4.537 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.919 -3.537 -0.165 1.00 0.00 H new ATOM 281 N THR A 28 -3.693 -1.662 -2.764 1.00 0.00 N ATOM 282 CA THR A 28 -4.233 -0.920 -3.894 1.00 0.00 C ATOM 283 C THR A 28 -3.703 0.510 -3.922 1.00 0.00 C ATOM 284 O THR A 28 -3.722 1.209 -2.909 1.00 0.00 O ATOM 285 CB THR A 28 -5.779 -0.907 -3.877 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.274 -1.568 -2.701 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.334 -1.599 -5.113 1.00 0.00 C ATOM 0 H THR A 28 -3.425 -1.090 -1.963 1.00 0.00 H new ATOM 0 HA THR A 28 -3.902 -1.432 -4.797 1.00 0.00 H new ATOM 0 HB THR A 28 -6.106 0.133 -3.871 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.876 -1.160 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.423 -1.580 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.987 -1.081 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.990 -2.633 -5.136 1.00 0.00 H new ATOM 295 N LEU A 29 -3.221 0.933 -5.080 1.00 0.00 N ATOM 296 CA LEU A 29 -2.652 2.263 -5.235 1.00 0.00 C ATOM 297 C LEU A 29 -3.743 3.246 -5.641 1.00 0.00 C ATOM 298 O LEU A 29 -4.273 3.176 -6.749 1.00 0.00 O ATOM 299 CB LEU A 29 -1.525 2.228 -6.280 1.00 0.00 C ATOM 300 CG LEU A 29 -0.573 3.434 -6.289 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.719 3.076 -7.002 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.211 4.641 -6.962 1.00 0.00 C ATOM 0 H LEU A 29 -3.213 0.371 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.229 2.593 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.935 1.326 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.976 2.140 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.358 3.694 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.386 3.938 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.201 2.245 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.499 2.787 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.511 5.476 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.463 4.392 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.117 4.920 -6.425 1.00 0.00 H new ATOM 314 N GLU A 30 -4.080 4.152 -4.737 1.00 0.00 N ATOM 315 CA GLU A 30 -5.130 5.127 -4.992 1.00 0.00 C ATOM 316 C GLU A 30 -4.615 6.547 -4.814 1.00 0.00 C ATOM 317 O GLU A 30 -3.499 6.758 -4.334 1.00 0.00 O ATOM 318 CB GLU A 30 -6.330 4.883 -4.074 1.00 0.00 C ATOM 319 CG GLU A 30 -7.117 3.633 -4.428 1.00 0.00 C ATOM 320 CD GLU A 30 -7.586 3.637 -5.871 1.00 0.00 C ATOM 321 OE1 GLU A 30 -7.902 4.725 -6.397 1.00 0.00 O ATOM 322 OE2 GLU A 30 -7.633 2.551 -6.489 1.00 0.00 O ATOM 0 H GLU A 30 -3.642 4.233 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.450 5.006 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.980 4.804 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.994 5.746 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.497 2.754 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.980 3.551 -3.768 1.00 0.00 H new ATOM 329 N ASP A 31 -5.447 7.511 -5.207 1.00 0.00 N ATOM 330 CA ASP A 31 -5.108 8.936 -5.145 1.00 0.00 C ATOM 331 C ASP A 31 -3.904 9.226 -6.033 1.00 0.00 C ATOM 332 O ASP A 31 -3.129 10.142 -5.775 1.00 0.00 O ATOM 333 CB ASP A 31 -4.836 9.386 -3.700 1.00 0.00 C ATOM 334 CG ASP A 31 -5.002 10.888 -3.522 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.162 11.350 -3.451 1.00 0.00 O ATOM 336 OD2 ASP A 31 -3.986 11.615 -3.446 1.00 0.00 O ATOM 0 H ASP A 31 -6.379 7.327 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.963 9.504 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.516 8.865 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.823 9.099 -3.417 1.00 0.00 H new ATOM 341 N ASP A 32 -3.773 8.442 -7.102 1.00 0.00 N ATOM 342 CA ASP A 32 -2.647 8.566 -8.021 1.00 0.00 C ATOM 343 C ASP A 32 -2.636 9.925 -8.711 1.00 0.00 C ATOM 344 O ASP A 32 -3.382 10.166 -9.665 1.00 0.00 O ATOM 345 CB ASP A 32 -2.684 7.446 -9.064 1.00 0.00 C ATOM 346 CG ASP A 32 -1.601 7.601 -10.116 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.436 7.248 -9.838 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.917 8.066 -11.231 1.00 0.00 O ATOM 0 H ASP A 32 -4.438 7.710 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.731 8.479 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.567 6.484 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.660 7.437 -9.549 1.00 0.00 H new ATOM 353 N GLN A 33 -1.811 10.816 -8.195 1.00 0.00 N ATOM 354 CA GLN A 33 -1.620 12.134 -8.774 1.00 0.00 C ATOM 355 C GLN A 33 -0.200 12.239 -9.330 1.00 0.00 C ATOM 356 O GLN A 33 0.159 13.207 -9.998 1.00 0.00 O ATOM 357 CB GLN A 33 -1.863 13.203 -7.700 1.00 0.00 C ATOM 358 CG GLN A 33 -1.828 14.633 -8.209 1.00 0.00 C ATOM 359 CD GLN A 33 -2.013 15.640 -7.093 1.00 0.00 C ATOM 360 OE1 GLN A 33 -1.046 16.094 -6.482 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.257 15.989 -6.811 1.00 0.00 N ATOM 0 H GLN A 33 -1.252 10.646 -7.359 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.328 12.292 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.833 13.020 -7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.111 13.091 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.876 14.816 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.611 14.771 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.031 15.590 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.442 16.658 -6.063 1.00 0.00 H new ATOM 370 N GLY A 34 0.595 11.211 -9.056 1.00 0.00 N ATOM 371 CA GLY A 34 1.983 11.195 -9.469 1.00 0.00 C ATOM 372 C GLY A 34 2.889 10.845 -8.312 1.00 0.00 C ATOM 373 O GLY A 34 2.992 9.682 -7.926 1.00 0.00 O ATOM 0 H GLY A 34 0.296 10.378 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.118 10.472 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.258 12.171 -9.869 1.00 0.00 H new ATOM 377 N SER A 35 3.536 11.853 -7.749 1.00 0.00 N ATOM 378 CA SER A 35 4.305 11.674 -6.531 1.00 0.00 C ATOM 379 C SER A 35 3.354 11.660 -5.336 1.00 0.00 C ATOM 380 O SER A 35 3.688 11.176 -4.254 1.00 0.00 O ATOM 381 CB SER A 35 5.341 12.790 -6.391 1.00 0.00 C ATOM 382 OG SER A 35 6.188 12.836 -7.530 1.00 0.00 O ATOM 0 H SER A 35 3.543 12.804 -8.118 1.00 0.00 H new ATOM 0 HA SER A 35 4.839 10.725 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.836 13.748 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.938 12.628 -5.494 1.00 0.00 H new ATOM 0 HG SER A 35 6.843 13.557 -7.422 1.00 0.00 H new ATOM 388 N HIS A 36 2.162 12.199 -5.554 1.00 0.00 N ATOM 389 CA HIS A 36 1.097 12.138 -4.569 1.00 0.00 C ATOM 390 C HIS A 36 0.223 10.928 -4.835 1.00 0.00 C ATOM 391 O HIS A 36 -0.335 10.795 -5.922 1.00 0.00 O ATOM 392 CB HIS A 36 0.235 13.403 -4.608 1.00 0.00 C ATOM 393 CG HIS A 36 0.620 14.438 -3.600 1.00 0.00 C ATOM 394 ND1 HIS A 36 -0.242 14.887 -2.623 1.00 0.00 N ATOM 395 CD2 HIS A 36 1.771 15.128 -3.430 1.00 0.00 C ATOM 396 CE1 HIS A 36 0.364 15.808 -1.896 1.00 0.00 C ATOM 397 NE2 HIS A 36 1.587 15.973 -2.365 1.00 0.00 N ATOM 0 H HIS A 36 1.910 12.687 -6.413 1.00 0.00 H new ATOM 0 HA HIS A 36 1.553 12.059 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.297 13.841 -5.604 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.806 13.125 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.669 15.032 -4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.068 16.337 -1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.281 16.622 -1.996 1.00 0.00 H new ATOM 406 N PHE A 37 0.142 10.045 -3.856 1.00 0.00 N ATOM 407 CA PHE A 37 -0.721 8.875 -3.923 1.00 0.00 C ATOM 408 C PHE A 37 -0.671 8.147 -2.589 1.00 0.00 C ATOM 409 O PHE A 37 0.200 8.425 -1.761 1.00 0.00 O ATOM 410 CB PHE A 37 -0.312 7.929 -5.066 1.00 0.00 C ATOM 411 CG PHE A 37 1.072 7.349 -4.941 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.188 8.091 -5.293 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.251 6.058 -4.480 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.455 7.556 -5.188 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.514 5.517 -4.373 1.00 0.00 C ATOM 416 CZ PHE A 37 3.618 6.267 -4.725 1.00 0.00 C ATOM 0 H PHE A 37 0.674 10.118 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.739 9.206 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.030 7.111 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.380 8.471 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.064 9.101 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.391 5.467 -4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.316 8.144 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.640 4.506 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.608 5.845 -4.638 1.00 0.00 H new ATOM 426 N ARG A 38 -1.604 7.234 -2.374 1.00 0.00 N ATOM 427 CA ARG A 38 -1.649 6.480 -1.131 1.00 0.00 C ATOM 428 C ARG A 38 -2.056 5.035 -1.390 1.00 0.00 C ATOM 429 O ARG A 38 -2.885 4.753 -2.257 1.00 0.00 O ATOM 430 CB ARG A 38 -2.615 7.147 -0.143 1.00 0.00 C ATOM 431 CG ARG A 38 -4.057 7.203 -0.623 1.00 0.00 C ATOM 432 CD ARG A 38 -4.909 8.076 0.282 1.00 0.00 C ATOM 433 NE ARG A 38 -6.326 8.029 -0.085 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.098 9.106 -0.235 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.591 10.325 -0.098 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.381 8.961 -0.529 1.00 0.00 N ATOM 0 H ARG A 38 -2.338 6.997 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.651 6.475 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.579 6.607 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.270 8.162 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.088 7.592 -1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.471 6.195 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.791 7.750 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.555 9.106 0.230 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.750 7.113 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.603 10.444 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.190 11.142 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.776 8.027 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.974 9.783 -0.644 1.00 0.00 H new ATOM 450 N LEU A 39 -1.462 4.117 -0.648 1.00 0.00 N ATOM 451 CA LEU A 39 -1.777 2.710 -0.808 1.00 0.00 C ATOM 452 C LEU A 39 -2.822 2.286 0.201 1.00 0.00 C ATOM 453 O LEU A 39 -2.633 2.422 1.411 1.00 0.00 O ATOM 454 CB LEU A 39 -0.537 1.834 -0.660 1.00 0.00 C ATOM 455 CG LEU A 39 0.582 2.114 -1.653 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.809 1.294 -1.298 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.127 1.804 -3.070 1.00 0.00 C ATOM 0 H LEU A 39 -0.763 4.319 0.067 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.169 2.577 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.144 1.958 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.836 0.791 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 39 0.840 3.172 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.604 1.501 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.145 1.558 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.559 0.233 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.940 2.010 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.153 0.753 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.732 2.426 -3.321 1.00 0.00 H new ATOM 469 N VAL A 40 -3.923 1.788 -0.308 1.00 0.00 N ATOM 470 CA VAL A 40 -5.000 1.298 0.525 1.00 0.00 C ATOM 471 C VAL A 40 -4.906 -0.214 0.644 1.00 0.00 C ATOM 472 O VAL A 40 -5.032 -0.935 -0.346 1.00 0.00 O ATOM 473 CB VAL A 40 -6.380 1.687 -0.040 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.487 1.256 0.912 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.448 3.184 -0.304 1.00 0.00 C ATOM 0 H VAL A 40 -4.100 1.710 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.898 1.758 1.508 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.523 1.168 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.454 1.539 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.451 0.175 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.349 1.745 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.430 3.439 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.283 3.726 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.680 3.461 -1.026 1.00 0.00 H new ATOM 485 N VAL A 41 -4.657 -0.688 1.849 1.00 0.00 N ATOM 486 CA VAL A 41 -4.499 -2.109 2.092 1.00 0.00 C ATOM 487 C VAL A 41 -5.811 -2.705 2.585 1.00 0.00 C ATOM 488 O VAL A 41 -6.338 -2.312 3.633 1.00 0.00 O ATOM 489 CB VAL A 41 -3.387 -2.396 3.121 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.023 -3.871 3.107 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.157 -1.539 2.856 1.00 0.00 C ATOM 0 H VAL A 41 -4.559 -0.105 2.681 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.213 -2.571 1.147 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.766 -2.138 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.237 -4.059 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.902 -4.465 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.669 -4.149 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.390 -1.764 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.772 -1.754 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.427 -0.485 2.921 1.00 0.00 H new ATOM 501 N ARG A 42 -6.335 -3.640 1.818 1.00 0.00 N ATOM 502 CA ARG A 42 -7.595 -4.280 2.133 1.00 0.00 C ATOM 503 C ARG A 42 -7.358 -5.668 2.707 1.00 0.00 C ATOM 504 O ARG A 42 -6.239 -6.186 2.666 1.00 0.00 O ATOM 505 CB ARG A 42 -8.457 -4.375 0.876 1.00 0.00 C ATOM 506 CG ARG A 42 -8.804 -3.027 0.263 1.00 0.00 C ATOM 507 CD ARG A 42 -9.420 -3.192 -1.114 1.00 0.00 C ATOM 508 NE ARG A 42 -8.459 -3.737 -2.075 1.00 0.00 N ATOM 509 CZ ARG A 42 -8.526 -4.970 -2.575 1.00 0.00 C ATOM 510 NH1 ARG A 42 -9.522 -5.778 -2.234 1.00 0.00 N ATOM 511 NH2 ARG A 42 -7.603 -5.394 -3.428 1.00 0.00 N ATOM 0 H ARG A 42 -5.899 -3.977 0.960 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.115 -3.680 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.934 -4.977 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.380 -4.901 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.499 -2.497 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.905 -2.415 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.284 -3.853 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.782 -2.227 -1.469 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.693 -3.137 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.241 -5.456 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.569 -6.721 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.840 -4.776 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.656 -6.338 -3.809 1.00 0.00 H new ATOM 525 N ASP A 43 -8.412 -6.262 3.246 1.00 0.00 N ATOM 526 CA ASP A 43 -8.330 -7.602 3.801 1.00 0.00 C ATOM 527 C ASP A 43 -8.789 -8.623 2.767 1.00 0.00 C ATOM 528 O ASP A 43 -8.987 -8.291 1.596 1.00 0.00 O ATOM 529 CB ASP A 43 -9.194 -7.726 5.065 1.00 0.00 C ATOM 530 CG ASP A 43 -10.621 -8.139 4.759 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.323 -7.397 4.055 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.027 -9.237 5.192 1.00 0.00 O ATOM 0 H ASP A 43 -9.336 -5.835 3.310 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.291 -7.796 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.745 -8.457 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.201 -6.771 5.591 1.00 0.00 H new ATOM 537 N THR A 44 -8.999 -9.847 3.220 1.00 0.00 N ATOM 538 CA THR A 44 -9.410 -10.939 2.353 1.00 0.00 C ATOM 539 C THR A 44 -10.790 -10.702 1.734 1.00 0.00 C ATOM 540 O THR A 44 -11.086 -11.224 0.657 1.00 0.00 O ATOM 541 CB THR A 44 -9.423 -12.270 3.124 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.146 -12.123 4.358 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.008 -12.742 3.416 1.00 0.00 C ATOM 0 H THR A 44 -8.890 -10.112 4.199 1.00 0.00 H new ATOM 0 HA THR A 44 -8.680 -10.986 1.545 1.00 0.00 H new ATOM 0 HB THR A 44 -9.918 -13.015 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.149 -12.977 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.044 -13.685 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.472 -12.886 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.492 -11.994 4.018 1.00 0.00 H new ATOM 551 N GLU A 45 -11.637 -9.915 2.401 1.00 0.00 N ATOM 552 CA GLU A 45 -12.985 -9.692 1.914 1.00 0.00 C ATOM 553 C GLU A 45 -13.052 -8.395 1.099 1.00 0.00 C ATOM 554 O GLU A 45 -14.019 -8.143 0.381 1.00 0.00 O ATOM 555 CB GLU A 45 -13.949 -9.649 3.101 1.00 0.00 C ATOM 556 CG GLU A 45 -15.416 -9.637 2.712 1.00 0.00 C ATOM 557 CD GLU A 45 -15.841 -10.909 2.015 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.242 -11.863 2.713 1.00 0.00 O ATOM 559 OE2 GLU A 45 -15.772 -10.965 0.772 1.00 0.00 O ATOM 0 H GLU A 45 -11.410 -9.430 3.269 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.275 -10.510 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.761 -10.513 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.735 -8.761 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.024 -9.496 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.608 -8.787 2.058 1.00 0.00 H new ATOM 566 N GLY A 46 -12.004 -7.587 1.196 1.00 0.00 N ATOM 567 CA GLY A 46 -11.958 -6.341 0.454 1.00 0.00 C ATOM 568 C GLY A 46 -12.211 -5.131 1.332 1.00 0.00 C ATOM 569 O GLY A 46 -12.486 -4.038 0.839 1.00 0.00 O ATOM 0 H GLY A 46 -11.185 -7.772 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.983 -6.242 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.701 -6.369 -0.343 1.00 0.00 H new ATOM 573 N ARG A 47 -12.120 -5.329 2.638 1.00 0.00 N ATOM 574 CA ARG A 47 -12.304 -4.256 3.597 1.00 0.00 C ATOM 575 C ARG A 47 -11.047 -3.409 3.656 1.00 0.00 C ATOM 576 O ARG A 47 -9.954 -3.945 3.817 1.00 0.00 O ATOM 577 CB ARG A 47 -12.581 -4.824 4.991 1.00 0.00 C ATOM 578 CG ARG A 47 -14.000 -5.336 5.236 1.00 0.00 C ATOM 579 CD ARG A 47 -14.436 -6.405 4.252 1.00 0.00 C ATOM 580 NE ARG A 47 -14.992 -5.860 3.010 1.00 0.00 N ATOM 581 CZ ARG A 47 -16.199 -6.184 2.539 1.00 0.00 C ATOM 582 NH1 ARG A 47 -17.022 -6.924 3.275 1.00 0.00 N ATOM 583 NH2 ARG A 47 -16.587 -5.765 1.340 1.00 0.00 N ATOM 0 H ARG A 47 -11.917 -6.235 3.060 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.153 -3.650 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.884 -5.642 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.363 -4.050 5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.063 -5.737 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.695 -4.498 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.582 -7.038 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.182 -7.043 4.726 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.427 -5.198 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.732 -7.244 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.944 -7.172 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.962 -5.192 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.510 -6.016 0.986 1.00 0.00 H new ATOM 597 N MET A 48 -11.186 -2.105 3.517 1.00 0.00 N ATOM 598 CA MET A 48 -10.034 -1.224 3.627 1.00 0.00 C ATOM 599 C MET A 48 -9.629 -1.106 5.087 1.00 0.00 C ATOM 600 O MET A 48 -10.242 -0.374 5.858 1.00 0.00 O ATOM 601 CB MET A 48 -10.334 0.158 3.049 1.00 0.00 C ATOM 602 CG MET A 48 -10.804 0.125 1.601 1.00 0.00 C ATOM 603 SD MET A 48 -11.181 1.764 0.945 1.00 0.00 S ATOM 604 CE MET A 48 -12.586 2.215 1.957 1.00 0.00 C ATOM 0 H MET A 48 -12.071 -1.634 3.330 1.00 0.00 H new ATOM 0 HA MET A 48 -9.213 -1.652 3.051 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.098 0.640 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.437 0.773 3.117 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.033 -0.339 0.985 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.692 -0.503 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.139 3.020 1.474 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.238 1.350 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.238 2.549 2.934 1.00 0.00 H new ATOM 614 N VAL A 49 -8.608 -1.855 5.465 1.00 0.00 N ATOM 615 CA VAL A 49 -8.191 -1.923 6.854 1.00 0.00 C ATOM 616 C VAL A 49 -7.212 -0.805 7.175 1.00 0.00 C ATOM 617 O VAL A 49 -7.211 -0.263 8.283 1.00 0.00 O ATOM 618 CB VAL A 49 -7.530 -3.280 7.180 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.257 -3.406 8.672 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.397 -4.429 6.692 1.00 0.00 C ATOM 0 H VAL A 49 -8.052 -2.425 4.828 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.087 -1.813 7.464 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.575 -3.327 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.791 -4.370 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.588 -2.606 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.196 -3.333 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.914 -5.376 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.370 -4.384 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.530 -4.352 5.613 1.00 0.00 H new ATOM 630 N TRP A 50 -6.401 -0.441 6.194 1.00 0.00 N ATOM 631 CA TRP A 50 -5.335 0.522 6.418 1.00 0.00 C ATOM 632 C TRP A 50 -4.989 1.244 5.124 1.00 0.00 C ATOM 633 O TRP A 50 -5.157 0.695 4.041 1.00 0.00 O ATOM 634 CB TRP A 50 -4.099 -0.200 6.979 1.00 0.00 C ATOM 635 CG TRP A 50 -2.926 0.700 7.232 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.814 0.830 6.451 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.748 1.595 8.337 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.960 1.758 6.997 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.510 2.242 8.155 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.517 1.921 9.457 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.021 3.184 9.056 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.029 2.857 10.350 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.794 3.481 10.143 1.00 0.00 C ATOM 0 H TRP A 50 -6.460 -0.796 5.240 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.672 1.265 7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.372 -0.694 7.912 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.800 -0.981 6.280 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.632 0.283 5.537 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.062 2.041 6.604 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.475 1.451 9.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.065 3.663 8.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.612 3.111 11.223 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.445 4.212 10.857 1.00 0.00 H new ATOM 654 N ARG A 51 -4.526 2.479 5.242 1.00 0.00 N ATOM 655 CA ARG A 51 -4.056 3.234 4.094 1.00 0.00 C ATOM 656 C ARG A 51 -3.079 4.308 4.542 1.00 0.00 C ATOM 657 O ARG A 51 -3.253 4.912 5.603 1.00 0.00 O ATOM 658 CB ARG A 51 -5.227 3.844 3.315 1.00 0.00 C ATOM 659 CG ARG A 51 -6.219 4.611 4.173 1.00 0.00 C ATOM 660 CD ARG A 51 -7.414 5.077 3.354 1.00 0.00 C ATOM 661 NE ARG A 51 -8.501 5.568 4.199 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.790 5.505 3.863 1.00 0.00 C ATOM 663 NH1 ARG A 51 -10.150 5.049 2.666 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.718 5.913 4.718 1.00 0.00 N ATOM 0 H ARG A 51 -4.466 2.981 6.128 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.537 2.552 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.830 4.514 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.756 3.046 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.561 3.978 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.725 5.473 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.100 5.867 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.776 4.252 2.740 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.259 5.983 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.439 4.746 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.137 5.003 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.446 6.275 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.704 5.865 4.462 1.00 0.00 H new ATOM 678 N ALA A 52 -2.039 4.517 3.753 1.00 0.00 N ATOM 679 CA ALA A 52 -1.016 5.498 4.083 1.00 0.00 C ATOM 680 C ALA A 52 -0.527 6.198 2.825 1.00 0.00 C ATOM 681 O ALA A 52 -0.598 5.638 1.730 1.00 0.00 O ATOM 682 CB ALA A 52 0.144 4.829 4.807 1.00 0.00 C ATOM 0 H ALA A 52 -1.879 4.020 2.877 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.452 6.246 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.902 5.575 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.218 4.369 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.580 4.063 4.166 1.00 0.00 H new ATOM 688 N TRP A 53 -0.043 7.422 2.989 1.00 0.00 N ATOM 689 CA TRP A 53 0.460 8.207 1.874 1.00 0.00 C ATOM 690 C TRP A 53 1.827 7.728 1.421 1.00 0.00 C ATOM 691 O TRP A 53 2.301 6.667 1.816 1.00 0.00 O ATOM 692 CB TRP A 53 0.553 9.680 2.266 1.00 0.00 C ATOM 693 CG TRP A 53 -0.756 10.330 2.437 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.327 10.632 3.606 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.645 10.773 1.412 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.533 11.242 3.399 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.756 11.339 2.054 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.612 10.743 0.019 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.828 11.877 1.352 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.675 11.273 -0.679 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.771 11.834 -0.012 1.00 0.00 C ATOM 0 H TRP A 53 0.011 7.894 3.892 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.241 8.083 1.048 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.115 9.765 3.196 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.118 10.215 1.503 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.898 10.424 4.575 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.164 11.571 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.770 10.313 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.673 12.312 1.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.663 11.255 -1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.589 12.241 -0.588 1.00 0.00 H new ATOM 712 N ASN A 54 2.453 8.545 0.598 1.00 0.00 N ATOM 713 CA ASN A 54 3.754 8.229 0.022 1.00 0.00 C ATOM 714 C ASN A 54 4.869 9.010 0.705 1.00 0.00 C ATOM 715 O ASN A 54 5.937 8.473 0.991 1.00 0.00 O ATOM 716 CB ASN A 54 3.747 8.538 -1.481 1.00 0.00 C ATOM 717 CG ASN A 54 5.145 8.608 -2.074 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.734 9.684 -2.192 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.683 7.459 -2.435 1.00 0.00 N ATOM 0 H ASN A 54 2.078 9.448 0.307 1.00 0.00 H new ATOM 0 HA ASN A 54 3.942 7.167 0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.174 7.771 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.238 9.487 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.623 7.438 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.159 6.592 -2.319 1.00 0.00 H new ATOM 726 N PHE A 55 4.591 10.273 0.985 1.00 0.00 N ATOM 727 CA PHE A 55 5.590 11.189 1.527 1.00 0.00 C ATOM 728 C PHE A 55 5.723 11.052 3.042 1.00 0.00 C ATOM 729 O PHE A 55 6.378 11.866 3.693 1.00 0.00 O ATOM 730 CB PHE A 55 5.230 12.630 1.148 1.00 0.00 C ATOM 731 CG PHE A 55 3.774 12.957 1.336 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.284 13.316 2.580 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.895 12.896 0.264 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.946 13.608 2.753 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.555 13.186 0.432 1.00 0.00 C ATOM 736 CZ PHE A 55 1.080 13.543 1.677 1.00 0.00 C ATOM 0 H PHE A 55 3.672 10.694 0.845 1.00 0.00 H new ATOM 0 HA PHE A 55 6.556 10.930 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.828 13.315 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.500 12.801 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.956 13.368 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.263 12.619 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.576 13.887 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.880 13.133 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.033 13.771 1.811 1.00 0.00 H new ATOM 746 N GLU A 56 5.106 10.023 3.601 1.00 0.00 N ATOM 747 CA GLU A 56 5.205 9.765 5.029 1.00 0.00 C ATOM 748 C GLU A 56 6.552 9.123 5.346 1.00 0.00 C ATOM 749 O GLU A 56 6.963 8.174 4.678 1.00 0.00 O ATOM 750 CB GLU A 56 4.058 8.865 5.490 1.00 0.00 C ATOM 751 CG GLU A 56 2.687 9.494 5.313 1.00 0.00 C ATOM 752 CD GLU A 56 2.460 10.669 6.240 1.00 0.00 C ATOM 753 OE1 GLU A 56 2.821 11.805 5.873 1.00 0.00 O ATOM 754 OE2 GLU A 56 1.914 10.460 7.342 1.00 0.00 O ATOM 0 H GLU A 56 4.532 9.354 3.088 1.00 0.00 H new ATOM 0 HA GLU A 56 5.131 10.711 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.094 7.929 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.202 8.616 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.574 9.824 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.920 8.741 5.493 1.00 0.00 H new ATOM 761 N PRO A 57 7.256 9.643 6.366 1.00 0.00 N ATOM 762 CA PRO A 57 8.602 9.181 6.743 1.00 0.00 C ATOM 763 C PRO A 57 8.667 7.679 7.025 1.00 0.00 C ATOM 764 O PRO A 57 9.737 7.078 6.968 1.00 0.00 O ATOM 765 CB PRO A 57 8.912 9.977 8.013 1.00 0.00 C ATOM 766 CG PRO A 57 8.050 11.186 7.920 1.00 0.00 C ATOM 767 CD PRO A 57 6.793 10.740 7.234 1.00 0.00 C ATOM 0 HA PRO A 57 9.316 9.339 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.687 9.398 8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.967 10.246 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.834 11.589 8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.544 11.976 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.043 10.400 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.341 11.547 6.657 1.00 0.00 H new ATOM 775 N ASP A 58 7.527 7.076 7.328 1.00 0.00 N ATOM 776 CA ASP A 58 7.468 5.639 7.561 1.00 0.00 C ATOM 777 C ASP A 58 6.247 5.033 6.875 1.00 0.00 C ATOM 778 O ASP A 58 5.635 4.095 7.390 1.00 0.00 O ATOM 779 CB ASP A 58 7.454 5.328 9.068 1.00 0.00 C ATOM 780 CG ASP A 58 6.311 5.995 9.813 1.00 0.00 C ATOM 781 OD1 ASP A 58 5.222 5.396 9.909 1.00 0.00 O ATOM 782 OD2 ASP A 58 6.501 7.121 10.319 1.00 0.00 O ATOM 0 H ASP A 58 6.632 7.557 7.418 1.00 0.00 H new ATOM 0 HA ASP A 58 8.362 5.189 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.388 4.249 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.399 5.649 9.506 1.00 0.00 H new ATOM 787 N ALA A 59 5.935 5.534 5.674 1.00 0.00 N ATOM 788 CA ALA A 59 4.727 5.136 4.959 1.00 0.00 C ATOM 789 C ALA A 59 4.657 3.626 4.787 1.00 0.00 C ATOM 790 O ALA A 59 3.672 2.982 5.169 1.00 0.00 O ATOM 791 CB ALA A 59 4.683 5.816 3.604 1.00 0.00 C ATOM 0 H ALA A 59 6.508 6.218 5.179 1.00 0.00 H new ATOM 0 HA ALA A 59 3.865 5.447 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.779 5.515 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.681 6.898 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.558 5.525 3.022 1.00 0.00 H new ATOM 797 N GLY A 60 5.726 3.066 4.245 1.00 0.00 N ATOM 798 CA GLY A 60 5.770 1.650 3.989 1.00 0.00 C ATOM 799 C GLY A 60 5.792 0.829 5.255 1.00 0.00 C ATOM 800 O GLY A 60 5.290 -0.284 5.271 1.00 0.00 O ATOM 0 H GLY A 60 6.569 3.575 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.904 1.366 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.655 1.420 3.396 1.00 0.00 H new ATOM 804 N GLU A 61 6.338 1.386 6.328 1.00 0.00 N ATOM 805 CA GLU A 61 6.468 0.639 7.572 1.00 0.00 C ATOM 806 C GLU A 61 5.094 0.375 8.180 1.00 0.00 C ATOM 807 O GLU A 61 4.851 -0.689 8.745 1.00 0.00 O ATOM 808 CB GLU A 61 7.376 1.377 8.559 1.00 0.00 C ATOM 809 CG GLU A 61 7.585 0.623 9.863 1.00 0.00 C ATOM 810 CD GLU A 61 8.774 1.127 10.649 1.00 0.00 C ATOM 811 OE1 GLU A 61 8.691 2.232 11.226 1.00 0.00 O ATOM 812 OE2 GLU A 61 9.802 0.416 10.686 1.00 0.00 O ATOM 0 H GLU A 61 6.694 2.341 6.363 1.00 0.00 H new ATOM 0 HA GLU A 61 6.932 -0.322 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.344 1.553 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.945 2.354 8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.687 0.710 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.721 -0.437 9.647 1.00 0.00 H new ATOM 819 N GLY A 62 4.188 1.336 8.036 1.00 0.00 N ATOM 820 CA GLY A 62 2.821 1.138 8.485 1.00 0.00 C ATOM 821 C GLY A 62 2.104 0.106 7.632 1.00 0.00 C ATOM 822 O GLY A 62 1.383 -0.760 8.141 1.00 0.00 O ATOM 0 H GLY A 62 4.375 2.247 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.821 0.816 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.282 2.084 8.444 1.00 0.00 H new ATOM 826 N LEU A 63 2.315 0.198 6.328 1.00 0.00 N ATOM 827 CA LEU A 63 1.764 -0.773 5.395 1.00 0.00 C ATOM 828 C LEU A 63 2.309 -2.164 5.707 1.00 0.00 C ATOM 829 O LEU A 63 1.552 -3.129 5.808 1.00 0.00 O ATOM 830 CB LEU A 63 2.113 -0.369 3.962 1.00 0.00 C ATOM 831 CG LEU A 63 1.675 1.046 3.570 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.260 1.431 2.227 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.160 1.148 3.525 1.00 0.00 C ATOM 0 H LEU A 63 2.865 0.937 5.891 1.00 0.00 H new ATOM 0 HA LEU A 63 0.679 -0.796 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.192 -0.451 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.652 -1.080 3.276 1.00 0.00 H new ATOM 0 HG LEU A 63 2.048 1.736 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.938 2.439 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.348 1.401 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.915 0.731 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.128 2.161 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.230 0.443 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.250 0.913 4.507 1.00 0.00 H new ATOM 845 N ASN A 64 3.624 -2.249 5.891 1.00 0.00 N ATOM 846 CA ASN A 64 4.278 -3.506 6.245 1.00 0.00 C ATOM 847 C ASN A 64 3.804 -3.997 7.603 1.00 0.00 C ATOM 848 O ASN A 64 3.791 -5.196 7.863 1.00 0.00 O ATOM 849 CB ASN A 64 5.799 -3.352 6.285 1.00 0.00 C ATOM 850 CG ASN A 64 6.417 -3.078 4.929 1.00 0.00 C ATOM 851 OD1 ASN A 64 5.893 -3.481 3.890 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.551 -2.402 4.936 1.00 0.00 N ATOM 0 H ASN A 64 4.261 -1.457 5.800 1.00 0.00 H new ATOM 0 HA ASN A 64 4.011 -4.231 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.056 -2.538 6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.237 -4.261 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.027 -2.195 4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.951 -2.086 5.820 1.00 0.00 H new ATOM 859 N ARG A 65 3.431 -3.062 8.468 1.00 0.00 N ATOM 860 CA ARG A 65 2.913 -3.391 9.792 1.00 0.00 C ATOM 861 C ARG A 65 1.669 -4.263 9.658 1.00 0.00 C ATOM 862 O ARG A 65 1.473 -5.207 10.423 1.00 0.00 O ATOM 863 CB ARG A 65 2.583 -2.115 10.565 1.00 0.00 C ATOM 864 CG ARG A 65 2.771 -2.233 12.068 1.00 0.00 C ATOM 865 CD ARG A 65 2.315 -0.970 12.776 1.00 0.00 C ATOM 866 NE ARG A 65 3.015 -0.768 14.041 1.00 0.00 N ATOM 867 CZ ARG A 65 2.414 -0.670 15.223 1.00 0.00 C ATOM 868 NH1 ARG A 65 1.099 -0.846 15.322 1.00 0.00 N ATOM 869 NH2 ARG A 65 3.136 -0.417 16.308 1.00 0.00 N ATOM 0 H ARG A 65 3.478 -2.062 8.275 1.00 0.00 H new ATOM 0 HA ARG A 65 3.675 -3.942 10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.211 -1.305 10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.549 -1.836 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.207 -3.087 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.821 -2.421 12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.483 -0.110 12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.242 -1.025 12.960 1.00 0.00 H new ATOM 0 HE ARG A 65 4.032 -0.697 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.549 -1.057 14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.641 -0.770 16.230 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.146 -0.299 16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.680 -0.341 17.217 1.00 0.00 H new ATOM 883 N TYR A 66 0.835 -3.940 8.676 1.00 0.00 N ATOM 884 CA TYR A 66 -0.321 -4.772 8.359 1.00 0.00 C ATOM 885 C TYR A 66 0.112 -6.018 7.581 1.00 0.00 C ATOM 886 O TYR A 66 -0.312 -7.131 7.892 1.00 0.00 O ATOM 887 CB TYR A 66 -1.355 -3.985 7.550 1.00 0.00 C ATOM 888 CG TYR A 66 -2.555 -4.819 7.145 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.655 -4.947 7.982 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.573 -5.493 5.928 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.738 -5.725 7.620 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.656 -6.270 5.558 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.734 -6.383 6.410 1.00 0.00 C ATOM 894 OH TYR A 66 -5.811 -7.159 6.055 1.00 0.00 O ATOM 0 H TYR A 66 0.936 -3.113 8.088 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.779 -5.082 9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.695 -3.132 8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.879 -3.585 6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.664 -4.431 8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.728 -5.408 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.585 -5.817 8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.657 -6.784 4.608 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.482 -7.134 6.769 1.00 0.00 H new ATOM 904 N ILE A 67 0.955 -5.817 6.570 1.00 0.00 N ATOM 905 CA ILE A 67 1.435 -6.903 5.708 1.00 0.00 C ATOM 906 C ILE A 67 2.043 -8.044 6.523 1.00 0.00 C ATOM 907 O ILE A 67 1.734 -9.213 6.295 1.00 0.00 O ATOM 908 CB ILE A 67 2.489 -6.381 4.701 1.00 0.00 C ATOM 909 CG1 ILE A 67 1.856 -5.366 3.743 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.115 -7.530 3.922 1.00 0.00 C ATOM 911 CD1 ILE A 67 2.853 -4.690 2.825 1.00 0.00 C ATOM 0 H ILE A 67 1.326 -4.899 6.323 1.00 0.00 H new ATOM 0 HA ILE A 67 0.569 -7.284 5.166 1.00 0.00 H new ATOM 0 HB ILE A 67 3.279 -5.884 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.103 -5.872 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.338 -4.604 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.852 -7.136 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.603 -8.216 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.339 -8.062 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.331 -3.986 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.592 -4.155 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.354 -5.442 2.215 1.00 0.00 H new ATOM 923 N ARG A 68 2.883 -7.689 7.481 1.00 0.00 N ATOM 924 CA ARG A 68 3.599 -8.659 8.301 1.00 0.00 C ATOM 925 C ARG A 68 2.647 -9.601 9.032 1.00 0.00 C ATOM 926 O ARG A 68 2.934 -10.789 9.178 1.00 0.00 O ATOM 927 CB ARG A 68 4.490 -7.914 9.297 1.00 0.00 C ATOM 928 CG ARG A 68 5.156 -8.803 10.333 1.00 0.00 C ATOM 929 CD ARG A 68 6.156 -8.014 11.161 1.00 0.00 C ATOM 930 NE ARG A 68 6.669 -8.779 12.297 1.00 0.00 N ATOM 931 CZ ARG A 68 7.808 -9.468 12.285 1.00 0.00 C ATOM 932 NH1 ARG A 68 8.523 -9.569 11.170 1.00 0.00 N ATOM 933 NH2 ARG A 68 8.226 -10.064 13.395 1.00 0.00 N ATOM 0 H ARG A 68 3.090 -6.718 7.715 1.00 0.00 H new ATOM 0 HA ARG A 68 4.214 -9.276 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.263 -7.379 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.890 -7.164 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.399 -9.237 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.662 -9.631 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.988 -7.709 10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.682 -7.102 11.525 1.00 0.00 H new ATOM 0 HE ARG A 68 6.118 -8.785 13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.200 -9.117 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.395 -10.099 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.675 -9.993 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.098 -10.593 13.392 1.00 0.00 H new ATOM 947 N THR A 69 1.512 -9.085 9.472 1.00 0.00 N ATOM 948 CA THR A 69 0.583 -9.872 10.246 1.00 0.00 C ATOM 949 C THR A 69 -0.640 -10.283 9.434 1.00 0.00 C ATOM 950 O THR A 69 -1.680 -10.630 9.997 1.00 0.00 O ATOM 951 CB THR A 69 0.145 -9.088 11.490 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.152 -7.732 11.132 1.00 0.00 O ATOM 953 CG2 THR A 69 1.229 -9.113 12.560 1.00 0.00 C ATOM 0 H THR A 69 1.217 -8.123 9.303 1.00 0.00 H new ATOM 0 HA THR A 69 1.098 -10.785 10.546 1.00 0.00 H new ATOM 0 HB THR A 69 -0.749 -9.562 11.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.684 -7.233 11.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.893 -8.550 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.430 -10.144 12.850 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.140 -8.662 12.166 1.00 0.00 H new ATOM 961 N SER A 70 -0.511 -10.264 8.117 1.00 0.00 N ATOM 962 CA SER A 70 -1.607 -10.668 7.251 1.00 0.00 C ATOM 963 C SER A 70 -1.095 -11.499 6.080 1.00 0.00 C ATOM 964 O SER A 70 -1.499 -12.650 5.901 1.00 0.00 O ATOM 965 CB SER A 70 -2.347 -9.433 6.733 1.00 0.00 C ATOM 966 OG SER A 70 -2.705 -8.570 7.799 1.00 0.00 O ATOM 0 H SER A 70 0.336 -9.975 7.627 1.00 0.00 H new ATOM 0 HA SER A 70 -2.296 -11.282 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.716 -8.898 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.243 -9.741 6.194 1.00 0.00 H new ATOM 0 HG SER A 70 -1.961 -7.962 7.991 1.00 0.00 H new ATOM 972 N GLY A 71 -0.177 -10.905 5.323 1.00 0.00 N ATOM 973 CA GLY A 71 0.356 -11.516 4.108 1.00 0.00 C ATOM 974 C GLY A 71 -0.698 -12.230 3.275 1.00 0.00 C ATOM 975 O GLY A 71 -0.762 -13.458 3.278 1.00 0.00 O ATOM 0 H GLY A 71 0.218 -9.988 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.827 -10.744 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.136 -12.227 4.380 1.00 0.00 H new ATOM 979 N ILE A 72 -1.503 -11.477 2.526 1.00 0.00 N ATOM 980 CA ILE A 72 -2.657 -12.061 1.844 1.00 0.00 C ATOM 981 C ILE A 72 -2.246 -12.721 0.511 1.00 0.00 C ATOM 982 O ILE A 72 -3.081 -13.208 -0.248 1.00 0.00 O ATOM 983 CB ILE A 72 -3.758 -10.985 1.632 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.068 -10.277 2.959 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.035 -11.592 1.064 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.573 -11.204 4.047 1.00 0.00 C ATOM 0 H ILE A 72 -1.380 -10.475 2.377 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.068 -12.848 2.476 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.377 -10.262 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.166 -9.776 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.814 -9.502 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.781 -10.809 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.820 -12.057 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.418 -12.344 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.769 -10.630 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.493 -11.686 3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.820 -11.964 4.256 1.00 0.00 H new ATOM 998 N ARG A 73 -0.945 -12.767 0.250 1.00 0.00 N ATOM 999 CA ARG A 73 -0.437 -13.358 -0.986 1.00 0.00 C ATOM 1000 C ARG A 73 -0.483 -14.880 -0.947 1.00 0.00 C ATOM 1001 O ARG A 73 -1.214 -15.513 -1.708 1.00 0.00 O ATOM 1002 CB ARG A 73 0.997 -12.932 -1.246 1.00 0.00 C ATOM 1003 CG ARG A 73 1.600 -13.651 -2.433 1.00 0.00 C ATOM 1004 CD ARG A 73 2.937 -13.064 -2.841 1.00 0.00 C ATOM 1005 NE ARG A 73 3.337 -13.490 -4.180 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.403 -14.242 -4.445 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.173 -14.692 -3.463 1.00 0.00 N ATOM 1008 NH2 ARG A 73 4.700 -14.549 -5.701 1.00 0.00 N ATOM 0 H ARG A 73 -0.224 -12.404 0.874 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.084 -12.999 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.029 -11.856 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.599 -13.129 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.728 -14.706 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.910 -13.599 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.880 -11.976 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.699 -13.365 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 73 2.760 -13.191 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.950 -14.462 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.988 -15.268 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.112 -14.209 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.516 -15.125 -5.906 1.00 0.00 H new ATOM 1022 N THR A 74 0.322 -15.451 -0.056 1.00 0.00 N ATOM 1023 CA THR A 74 0.431 -16.894 0.098 1.00 0.00 C ATOM 1024 C THR A 74 -0.881 -17.466 0.613 1.00 0.00 C ATOM 1025 O THR A 74 -1.096 -18.680 0.608 1.00 0.00 O ATOM 1026 CB THR A 74 1.578 -17.235 1.078 1.00 0.00 C ATOM 1027 OG1 THR A 74 2.800 -16.644 0.610 1.00 0.00 O ATOM 1028 CG2 THR A 74 1.760 -18.738 1.233 1.00 0.00 C ATOM 0 H THR A 74 0.918 -14.922 0.581 1.00 0.00 H new ATOM 0 HA THR A 74 0.651 -17.337 -0.873 1.00 0.00 H new ATOM 0 HB THR A 74 1.317 -16.830 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.526 -16.859 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.575 -18.936 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.840 -19.178 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.996 -19.178 0.264 1.00 0.00 H new ATOM 1036 N ASP A 75 -1.770 -16.551 0.976 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.009 -16.872 1.670 1.00 0.00 C ATOM 1038 C ASP A 75 -2.747 -17.430 3.058 1.00 0.00 C ATOM 1039 O ASP A 75 -1.938 -18.336 3.261 1.00 0.00 O ATOM 1040 CB ASP A 75 -3.873 -17.826 0.861 1.00 0.00 C ATOM 1041 CG ASP A 75 -5.080 -18.321 1.636 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.863 -17.481 2.132 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -5.252 -19.555 1.756 1.00 0.00 O ATOM 0 H ASP A 75 -1.649 -15.555 0.795 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.558 -15.937 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.209 -17.325 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.271 -18.680 0.549 1.00 0.00 H new TER 1048 ASP A 75