USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 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 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.73 USER MOD Single : A 24 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.51) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -7.63! C(o=-7.6!,f=-9.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0593 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -40:sc= -1.78! USER MOD Single : A 59 THR OG1 : rot -100:sc= -2.03 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.59! C(o=-4.6!,f=-2.3!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.3 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 140:sc= -1.27 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-3.7!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 2.260 -16.087 1.745 1.00 0.00 N ATOM 2 CA SER A 14 2.894 -14.787 1.943 1.00 0.00 C ATOM 3 C SER A 14 2.141 -13.695 1.191 1.00 0.00 C ATOM 4 O SER A 14 2.122 -13.674 -0.040 1.00 0.00 O ATOM 5 CB SER A 14 4.352 -14.831 1.478 1.00 0.00 C ATOM 6 OG SER A 14 5.147 -13.915 2.210 1.00 0.00 O ATOM 0 HA SER A 14 2.866 -14.555 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.746 -15.840 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.406 -14.596 0.415 1.00 0.00 H new ATOM 0 HG SER A 14 6.074 -13.963 1.896 1.00 0.00 H new ATOM 12 N GLY A 15 1.521 -12.788 1.939 1.00 0.00 N ATOM 13 CA GLY A 15 0.775 -11.705 1.327 1.00 0.00 C ATOM 14 C GLY A 15 -0.196 -11.052 2.290 1.00 0.00 C ATOM 15 O GLY A 15 0.158 -10.750 3.430 1.00 0.00 O ATOM 0 H GLY A 15 1.522 -12.784 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.471 -10.954 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.226 -12.087 0.466 1.00 0.00 H new ATOM 19 N GLY A 16 -1.424 -10.833 1.831 1.00 0.00 N ATOM 20 CA GLY A 16 -2.430 -10.213 2.674 1.00 0.00 C ATOM 21 C GLY A 16 -2.393 -8.699 2.605 1.00 0.00 C ATOM 22 O GLY A 16 -2.466 -8.120 1.524 1.00 0.00 O ATOM 0 H GLY A 16 -1.740 -11.073 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.417 -10.563 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.280 -10.530 3.706 1.00 0.00 H new ATOM 26 N CYS A 17 -2.272 -8.060 3.762 1.00 0.00 N ATOM 27 CA CYS A 17 -2.217 -6.609 3.837 1.00 0.00 C ATOM 28 C CYS A 17 -1.087 -6.173 4.755 1.00 0.00 C ATOM 29 O CYS A 17 -0.921 -6.707 5.852 1.00 0.00 O ATOM 30 CB CYS A 17 -3.545 -6.030 4.333 1.00 0.00 C ATOM 31 SG CYS A 17 -4.321 -6.967 5.673 1.00 0.00 S ATOM 0 H CYS A 17 -2.210 -8.529 4.666 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.032 -6.227 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.377 -5.008 4.672 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.239 -5.977 3.494 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.434 -6.391 6.017 1.00 0.00 H new ATOM 37 N GLU A 18 -0.317 -5.199 4.303 1.00 0.00 N ATOM 38 CA GLU A 18 0.800 -4.684 5.085 1.00 0.00 C ATOM 39 C GLU A 18 0.706 -3.177 5.193 1.00 0.00 C ATOM 40 O GLU A 18 0.223 -2.521 4.286 1.00 0.00 O ATOM 41 CB GLU A 18 2.135 -5.084 4.458 1.00 0.00 C ATOM 42 CG GLU A 18 3.349 -4.557 5.207 1.00 0.00 C ATOM 43 CD GLU A 18 4.603 -5.362 4.926 1.00 0.00 C ATOM 44 OE1 GLU A 18 5.286 -5.066 3.923 1.00 0.00 O ATOM 45 OE2 GLU A 18 4.902 -6.288 5.709 1.00 0.00 O ATOM 0 H GLU A 18 -0.443 -4.746 3.398 1.00 0.00 H new ATOM 0 HA GLU A 18 0.749 -5.118 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.192 -6.172 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.167 -4.719 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.520 -3.517 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.145 -4.571 6.278 1.00 0.00 H new ATOM 52 N LEU A 19 1.172 -2.635 6.298 1.00 0.00 N ATOM 53 CA LEU A 19 1.128 -1.188 6.497 1.00 0.00 C ATOM 54 C LEU A 19 2.237 -0.507 5.713 1.00 0.00 C ATOM 55 O LEU A 19 3.402 -0.901 5.779 1.00 0.00 O ATOM 56 CB LEU A 19 1.230 -0.800 7.973 1.00 0.00 C ATOM 57 CG LEU A 19 0.734 -1.842 8.976 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.727 -1.264 10.383 1.00 0.00 C ATOM 59 CD2 LEU A 19 -0.656 -2.333 8.596 1.00 0.00 C ATOM 0 H LEU A 19 1.583 -3.161 7.069 1.00 0.00 H new ATOM 0 HA LEU A 19 0.159 -0.850 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.273 -0.576 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.666 0.120 8.126 1.00 0.00 H new ATOM 0 HG LEU A 19 1.416 -2.692 8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.371 -2.019 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.738 -0.961 10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.067 -0.397 10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.991 -3.074 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.350 -1.492 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.624 -2.785 7.605 1.00 0.00 H new ATOM 71 N THR A 20 1.855 0.517 4.971 1.00 0.00 N ATOM 72 CA THR A 20 2.794 1.275 4.158 1.00 0.00 C ATOM 73 C THR A 20 2.479 2.764 4.208 1.00 0.00 C ATOM 74 O THR A 20 1.316 3.162 4.279 1.00 0.00 O ATOM 75 CB THR A 20 2.764 0.782 2.708 1.00 0.00 C ATOM 76 OG1 THR A 20 3.610 1.569 1.892 1.00 0.00 O ATOM 77 CG2 THR A 20 1.386 0.809 2.085 1.00 0.00 C ATOM 0 H THR A 20 0.891 0.847 4.914 1.00 0.00 H new ATOM 0 HA THR A 20 3.793 1.120 4.565 1.00 0.00 H new ATOM 0 HB THR A 20 3.103 -0.253 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.578 1.237 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.444 0.446 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.715 0.170 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.005 1.830 2.088 1.00 0.00 H new ATOM 85 N VAL A 21 3.519 3.582 4.154 1.00 0.00 N ATOM 86 CA VAL A 21 3.359 5.026 4.174 1.00 0.00 C ATOM 87 C VAL A 21 3.686 5.597 2.806 1.00 0.00 C ATOM 88 O VAL A 21 4.607 5.128 2.138 1.00 0.00 O ATOM 89 CB VAL A 21 4.264 5.692 5.229 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.637 5.601 6.611 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.656 5.073 5.224 1.00 0.00 C ATOM 0 H VAL A 21 4.487 3.267 4.096 1.00 0.00 H new ATOM 0 HA VAL A 21 2.322 5.237 4.436 1.00 0.00 H new ATOM 0 HB VAL A 21 4.365 6.746 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.293 6.077 7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.671 6.107 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.497 4.554 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.274 5.561 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.582 4.009 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.109 5.205 4.242 1.00 0.00 H new ATOM 101 N VAL A 22 2.932 6.602 2.379 1.00 0.00 N ATOM 102 CA VAL A 22 3.163 7.202 1.084 1.00 0.00 C ATOM 103 C VAL A 22 4.217 8.297 1.150 1.00 0.00 C ATOM 104 O VAL A 22 4.107 9.239 1.934 1.00 0.00 O ATOM 105 CB VAL A 22 1.881 7.773 0.442 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.232 6.728 -0.436 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.890 8.287 1.477 1.00 0.00 C ATOM 0 H VAL A 22 2.163 7.012 2.910 1.00 0.00 H new ATOM 0 HA VAL A 22 3.522 6.389 0.453 1.00 0.00 H new ATOM 0 HB VAL A 22 2.176 8.628 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.328 7.140 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.926 6.432 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.974 5.857 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.006 8.678 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.599 7.471 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.354 9.081 2.062 1.00 0.00 H new ATOM 117 N LEU A 23 5.243 8.155 0.324 1.00 0.00 N ATOM 118 CA LEU A 23 6.330 9.117 0.284 1.00 0.00 C ATOM 119 C LEU A 23 5.927 10.408 -0.429 1.00 0.00 C ATOM 120 O LEU A 23 6.522 11.458 -0.192 1.00 0.00 O ATOM 121 CB LEU A 23 7.573 8.524 -0.392 1.00 0.00 C ATOM 122 CG LEU A 23 7.750 7.009 -0.249 1.00 0.00 C ATOM 123 CD1 LEU A 23 9.095 6.575 -0.811 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.619 6.586 1.208 1.00 0.00 C ATOM 0 H LEU A 23 5.344 7.379 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 23 6.568 9.358 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.537 8.768 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.456 9.014 0.019 1.00 0.00 H new ATOM 0 HG LEU A 23 6.962 6.517 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.204 5.496 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.151 6.840 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.895 7.078 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.748 5.507 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.383 7.087 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.632 6.861 1.579 1.00 0.00 H new ATOM 136 N GLN A 24 4.936 10.335 -1.315 1.00 0.00 N ATOM 137 CA GLN A 24 4.496 11.509 -2.043 1.00 0.00 C ATOM 138 C GLN A 24 2.977 11.507 -2.213 1.00 0.00 C ATOM 139 O GLN A 24 2.357 10.447 -2.291 1.00 0.00 O ATOM 140 CB GLN A 24 5.226 11.572 -3.391 1.00 0.00 C ATOM 141 CG GLN A 24 4.678 10.671 -4.482 1.00 0.00 C ATOM 142 CD GLN A 24 4.881 11.249 -5.869 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.972 11.846 -6.444 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.079 11.073 -6.414 1.00 0.00 N ATOM 0 H GLN A 24 4.429 9.479 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 24 4.746 12.405 -1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.200 12.601 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.273 11.318 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.164 9.697 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.614 10.507 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.804 10.571 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.274 11.439 -7.346 1.00 0.00 H new ATOM 153 N ASP A 25 2.380 12.694 -2.278 1.00 0.00 N ATOM 154 CA ASP A 25 0.933 12.795 -2.447 1.00 0.00 C ATOM 155 C ASP A 25 0.550 12.292 -3.829 1.00 0.00 C ATOM 156 O ASP A 25 1.303 12.437 -4.792 1.00 0.00 O ATOM 157 CB ASP A 25 0.382 14.227 -2.269 1.00 0.00 C ATOM 158 CG ASP A 25 1.373 15.233 -1.703 1.00 0.00 C ATOM 159 OD1 ASP A 25 2.390 15.506 -2.375 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.130 15.745 -0.590 1.00 0.00 O ATOM 0 H ASP A 25 2.867 13.588 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 25 0.490 12.184 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.033 14.588 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.487 14.187 -1.612 1.00 0.00 H new ATOM 165 N PHE A 26 -0.625 11.709 -3.912 1.00 0.00 N ATOM 166 CA PHE A 26 -1.135 11.184 -5.167 1.00 0.00 C ATOM 167 C PHE A 26 -2.628 11.364 -5.266 1.00 0.00 C ATOM 168 O PHE A 26 -3.320 11.430 -4.263 1.00 0.00 O ATOM 169 CB PHE A 26 -0.810 9.706 -5.330 1.00 0.00 C ATOM 170 CG PHE A 26 -1.035 9.202 -6.728 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.052 9.337 -7.693 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.232 8.590 -7.079 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.252 8.875 -8.979 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.436 8.127 -8.364 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.445 8.268 -9.315 1.00 0.00 C ATOM 0 H PHE A 26 -1.254 11.584 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.645 11.747 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.230 9.536 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.423 9.127 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.884 9.810 -7.437 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.011 8.475 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.524 8.989 -9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.371 7.654 -8.625 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.603 7.904 -10.319 1.00 0.00 H new ATOM 185 N SER A 27 -3.117 11.434 -6.480 1.00 0.00 N ATOM 186 CA SER A 27 -4.516 11.575 -6.729 1.00 0.00 C ATOM 187 C SER A 27 -4.963 10.471 -7.675 1.00 0.00 C ATOM 188 O SER A 27 -4.262 10.141 -8.629 1.00 0.00 O ATOM 189 CB SER A 27 -4.779 12.931 -7.341 1.00 0.00 C ATOM 190 OG SER A 27 -3.661 13.388 -8.084 1.00 0.00 O ATOM 0 H SER A 27 -2.545 11.394 -7.323 1.00 0.00 H new ATOM 0 HA SER A 27 -5.075 11.495 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.652 12.875 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.013 13.648 -6.554 1.00 0.00 H new ATOM 0 HG SER A 27 -3.861 14.267 -8.469 1.00 0.00 H new ATOM 196 N ALA A 28 -6.114 9.889 -7.386 1.00 0.00 N ATOM 197 CA ALA A 28 -6.658 8.800 -8.177 1.00 0.00 C ATOM 198 C ALA A 28 -6.664 9.086 -9.671 1.00 0.00 C ATOM 199 O ALA A 28 -6.198 10.127 -10.132 1.00 0.00 O ATOM 200 CB ALA A 28 -8.064 8.491 -7.715 1.00 0.00 C ATOM 0 H ALA A 28 -6.698 10.159 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.004 7.942 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.471 7.673 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.046 8.202 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.690 9.375 -7.837 1.00 0.00 H new ATOM 206 N ALA A 29 -7.215 8.137 -10.419 1.00 0.00 N ATOM 207 CA ALA A 29 -7.305 8.250 -11.869 1.00 0.00 C ATOM 208 C ALA A 29 -7.946 7.010 -12.482 1.00 0.00 C ATOM 209 O ALA A 29 -8.607 7.095 -13.517 1.00 0.00 O ATOM 210 CB ALA A 29 -5.927 8.481 -12.479 1.00 0.00 C ATOM 0 H ALA A 29 -7.609 7.275 -10.041 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.938 9.109 -12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.018 8.562 -13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.502 9.402 -12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.274 7.644 -12.231 1.00 0.00 H new ATOM 216 N HIS A 30 -7.748 5.853 -11.847 1.00 0.00 N ATOM 217 CA HIS A 30 -8.315 4.607 -12.353 1.00 0.00 C ATOM 218 C HIS A 30 -9.273 3.953 -11.357 1.00 0.00 C ATOM 219 O HIS A 30 -9.569 4.492 -10.290 1.00 0.00 O ATOM 220 CB HIS A 30 -7.220 3.628 -12.821 1.00 0.00 C ATOM 221 CG HIS A 30 -6.447 2.918 -11.744 1.00 0.00 C ATOM 222 ND1 HIS A 30 -7.025 2.101 -10.792 1.00 0.00 N ATOM 223 CD2 HIS A 30 -5.111 2.858 -11.518 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.081 1.572 -10.033 1.00 0.00 C ATOM 225 NE2 HIS A 30 -4.912 2.016 -10.453 1.00 0.00 N ATOM 0 H HIS A 30 -7.204 5.755 -10.990 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.910 4.870 -13.228 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.685 2.876 -13.459 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.513 4.179 -13.441 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.345 3.377 -12.074 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.240 0.892 -9.209 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.007 1.773 -10.051 1.00 0.00 H new ATOM 234 N SER A 31 -9.784 2.796 -11.758 1.00 0.00 N ATOM 235 CA SER A 31 -10.756 2.017 -10.978 1.00 0.00 C ATOM 236 C SER A 31 -10.526 2.082 -9.465 1.00 0.00 C ATOM 237 O SER A 31 -11.215 2.819 -8.759 1.00 0.00 O ATOM 238 CB SER A 31 -10.739 0.557 -11.440 1.00 0.00 C ATOM 239 OG SER A 31 -11.600 0.364 -12.550 1.00 0.00 O ATOM 0 H SER A 31 -9.536 2.360 -12.646 1.00 0.00 H new ATOM 0 HA SER A 31 -11.731 2.468 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.723 0.269 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.047 -0.091 -10.620 1.00 0.00 H new ATOM 0 HG SER A 31 -11.570 -0.575 -12.827 1.00 0.00 H new ATOM 245 N SER A 32 -9.581 1.293 -8.969 1.00 0.00 N ATOM 246 CA SER A 32 -9.299 1.253 -7.539 1.00 0.00 C ATOM 247 C SER A 32 -8.259 2.294 -7.119 1.00 0.00 C ATOM 248 O SER A 32 -7.371 1.996 -6.321 1.00 0.00 O ATOM 249 CB SER A 32 -8.829 -0.148 -7.141 1.00 0.00 C ATOM 250 OG SER A 32 -9.921 -1.047 -7.051 1.00 0.00 O ATOM 0 H SER A 32 -8.999 0.674 -9.533 1.00 0.00 H new ATOM 0 HA SER A 32 -10.225 1.496 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.111 -0.516 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.312 -0.103 -6.183 1.00 0.00 H new ATOM 0 HG SER A 32 -9.594 -1.935 -6.797 1.00 0.00 H new ATOM 256 N GLU A 33 -8.366 3.512 -7.648 1.00 0.00 N ATOM 257 CA GLU A 33 -7.437 4.563 -7.307 1.00 0.00 C ATOM 258 C GLU A 33 -8.052 5.548 -6.329 1.00 0.00 C ATOM 259 O GLU A 33 -9.272 5.699 -6.259 1.00 0.00 O ATOM 260 CB GLU A 33 -7.017 5.292 -8.564 1.00 0.00 C ATOM 261 CG GLU A 33 -5.766 4.733 -9.158 1.00 0.00 C ATOM 262 CD GLU A 33 -4.517 5.454 -8.695 1.00 0.00 C ATOM 263 OE1 GLU A 33 -4.535 6.019 -7.582 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.518 5.453 -9.445 1.00 0.00 O ATOM 0 H GLU A 33 -9.090 3.785 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.568 4.109 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.821 5.236 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.867 6.347 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.687 3.677 -8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.830 4.789 -10.245 1.00 0.00 H new ATOM 271 N LEU A 34 -7.193 6.226 -5.593 1.00 0.00 N ATOM 272 CA LEU A 34 -7.629 7.216 -4.632 1.00 0.00 C ATOM 273 C LEU A 34 -6.542 8.247 -4.372 1.00 0.00 C ATOM 274 O LEU A 34 -5.377 8.042 -4.711 1.00 0.00 O ATOM 275 CB LEU A 34 -8.056 6.564 -3.323 1.00 0.00 C ATOM 276 CG LEU A 34 -7.369 5.252 -2.952 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.040 5.515 -2.283 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.262 4.465 -2.019 1.00 0.00 C ATOM 0 H LEU A 34 -6.181 6.107 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.492 7.725 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.885 7.277 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.130 6.384 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.190 4.680 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.568 4.567 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.394 6.070 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.198 6.098 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.774 3.528 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.448 5.047 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.209 4.253 -2.515 1.00 0.00 H new ATOM 290 N SER A 35 -6.941 9.355 -3.768 1.00 0.00 N ATOM 291 CA SER A 35 -6.033 10.424 -3.452 1.00 0.00 C ATOM 292 C SER A 35 -5.401 10.208 -2.092 1.00 0.00 C ATOM 293 O SER A 35 -6.079 9.943 -1.100 1.00 0.00 O ATOM 294 CB SER A 35 -6.754 11.768 -3.490 1.00 0.00 C ATOM 295 OG SER A 35 -8.120 11.626 -3.142 1.00 0.00 O ATOM 0 H SER A 35 -7.906 9.530 -3.487 1.00 0.00 H new ATOM 0 HA SER A 35 -5.243 10.430 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.271 12.462 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.673 12.199 -4.488 1.00 0.00 H new ATOM 0 HG SER A 35 -8.558 12.502 -3.173 1.00 0.00 H new ATOM 301 N ILE A 36 -4.094 10.326 -2.073 1.00 0.00 N ATOM 302 CA ILE A 36 -3.315 10.154 -0.864 1.00 0.00 C ATOM 303 C ILE A 36 -2.328 11.302 -0.703 1.00 0.00 C ATOM 304 O ILE A 36 -2.095 12.073 -1.634 1.00 0.00 O ATOM 305 CB ILE A 36 -2.552 8.818 -0.881 1.00 0.00 C ATOM 306 CG1 ILE A 36 -1.668 8.742 -2.123 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.534 7.654 -0.848 1.00 0.00 C ATOM 308 CD1 ILE A 36 -0.276 9.289 -1.916 1.00 0.00 C ATOM 0 H ILE A 36 -3.536 10.545 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.006 10.149 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.917 8.756 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.596 7.702 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.147 9.292 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.984 6.713 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.135 7.711 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.187 7.704 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.291 9.200 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.337 10.338 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.224 8.724 -1.129 1.00 0.00 H new ATOM 320 N GLN A 37 -1.768 11.416 0.486 1.00 0.00 N ATOM 321 CA GLN A 37 -0.824 12.465 0.798 1.00 0.00 C ATOM 322 C GLN A 37 0.437 11.908 1.442 1.00 0.00 C ATOM 323 O GLN A 37 0.405 10.892 2.127 1.00 0.00 O ATOM 324 CB GLN A 37 -1.485 13.476 1.726 1.00 0.00 C ATOM 325 CG GLN A 37 -2.140 14.635 0.994 1.00 0.00 C ATOM 326 CD GLN A 37 -3.577 14.865 1.422 1.00 0.00 C ATOM 327 OE1 GLN A 37 -3.841 15.557 2.405 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.516 14.284 0.683 1.00 0.00 N ATOM 0 H GLN A 37 -1.957 10.782 1.262 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.530 12.952 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.237 12.966 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.737 13.868 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.563 15.543 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.112 14.444 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.253 13.718 -0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.500 14.404 0.923 1.00 0.00 H new ATOM 337 N VAL A 38 1.545 12.595 1.219 1.00 0.00 N ATOM 338 CA VAL A 38 2.829 12.191 1.772 1.00 0.00 C ATOM 339 C VAL A 38 2.813 12.232 3.303 1.00 0.00 C ATOM 340 O VAL A 38 2.541 13.276 3.898 1.00 0.00 O ATOM 341 CB VAL A 38 3.953 13.120 1.261 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.630 14.571 1.574 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.307 12.734 1.849 1.00 0.00 C ATOM 0 H VAL A 38 1.581 13.443 0.654 1.00 0.00 H new ATOM 0 HA VAL A 38 3.016 11.168 1.446 1.00 0.00 H new ATOM 0 HB VAL A 38 4.015 13.002 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.433 15.210 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.694 14.848 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.530 14.697 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.074 13.408 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.266 12.808 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.549 11.710 1.564 1.00 0.00 H new ATOM 353 N GLY A 39 3.142 11.107 3.934 1.00 0.00 N ATOM 354 CA GLY A 39 3.194 11.066 5.387 1.00 0.00 C ATOM 355 C GLY A 39 2.156 10.172 6.028 1.00 0.00 C ATOM 356 O GLY A 39 2.377 9.649 7.121 1.00 0.00 O ATOM 0 H GLY A 39 3.372 10.229 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.184 10.728 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.070 12.079 5.771 1.00 0.00 H new ATOM 360 N GLN A 40 1.021 10.004 5.372 1.00 0.00 N ATOM 361 CA GLN A 40 -0.038 9.183 5.912 1.00 0.00 C ATOM 362 C GLN A 40 0.308 7.704 5.858 1.00 0.00 C ATOM 363 O GLN A 40 1.254 7.295 5.184 1.00 0.00 O ATOM 364 CB GLN A 40 -1.338 9.458 5.179 1.00 0.00 C ATOM 365 CG GLN A 40 -1.379 8.881 3.791 1.00 0.00 C ATOM 366 CD GLN A 40 -2.636 9.252 3.030 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.085 10.398 3.071 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.211 8.281 2.330 1.00 0.00 N ATOM 0 H GLN A 40 0.813 10.426 4.467 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.160 9.446 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.166 9.049 5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.492 10.536 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.509 9.228 3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.306 7.795 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.804 7.346 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.060 8.470 1.797 1.00 0.00 H new ATOM 377 N THR A 41 -0.481 6.908 6.562 1.00 0.00 N ATOM 378 CA THR A 41 -0.279 5.465 6.585 1.00 0.00 C ATOM 379 C THR A 41 -1.505 4.722 6.096 1.00 0.00 C ATOM 380 O THR A 41 -2.588 4.821 6.671 1.00 0.00 O ATOM 381 CB THR A 41 0.083 4.945 7.991 1.00 0.00 C ATOM 382 OG1 THR A 41 1.406 5.313 8.338 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.026 3.418 8.121 1.00 0.00 C ATOM 0 H THR A 41 -1.267 7.234 7.125 1.00 0.00 H new ATOM 0 HA THR A 41 0.558 5.274 5.913 1.00 0.00 H new ATOM 0 HB THR A 41 -0.643 5.403 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.615 4.975 9.234 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.242 3.119 9.134 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.049 3.107 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.651 2.943 7.411 1.00 0.00 H new ATOM 391 N VAL A 42 -1.293 3.915 5.084 1.00 0.00 N ATOM 392 CA VAL A 42 -2.328 3.073 4.566 1.00 0.00 C ATOM 393 C VAL A 42 -1.708 1.723 4.236 1.00 0.00 C ATOM 394 O VAL A 42 -0.577 1.641 3.768 1.00 0.00 O ATOM 395 CB VAL A 42 -3.062 3.715 3.358 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.398 2.690 2.305 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.344 4.395 3.813 1.00 0.00 C ATOM 0 H VAL A 42 -0.398 3.828 4.602 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.107 2.937 5.316 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.385 4.452 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.911 3.176 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.481 2.226 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.046 1.926 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.845 4.839 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.002 3.659 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.105 5.174 4.537 1.00 0.00 H new ATOM 407 N GLU A 43 -2.451 0.681 4.521 1.00 0.00 N ATOM 408 CA GLU A 43 -1.978 -0.667 4.297 1.00 0.00 C ATOM 409 C GLU A 43 -2.071 -1.074 2.830 1.00 0.00 C ATOM 410 O GLU A 43 -3.108 -0.923 2.198 1.00 0.00 O ATOM 411 CB GLU A 43 -2.792 -1.642 5.145 1.00 0.00 C ATOM 412 CG GLU A 43 -4.263 -1.681 4.763 1.00 0.00 C ATOM 413 CD GLU A 43 -5.128 -2.330 5.826 1.00 0.00 C ATOM 414 OE1 GLU A 43 -5.186 -1.793 6.952 1.00 0.00 O ATOM 415 OE2 GLU A 43 -5.746 -3.374 5.532 1.00 0.00 O ATOM 0 H GLU A 43 -3.392 0.740 4.911 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.927 -0.698 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.370 -2.642 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.703 -1.363 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.615 -0.665 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.376 -2.226 3.826 1.00 0.00 H new ATOM 422 N LEU A 44 -0.976 -1.601 2.296 1.00 0.00 N ATOM 423 CA LEU A 44 -0.942 -2.038 0.925 1.00 0.00 C ATOM 424 C LEU A 44 -1.703 -3.328 0.741 1.00 0.00 C ATOM 425 O LEU A 44 -1.753 -4.184 1.637 1.00 0.00 O ATOM 426 CB LEU A 44 0.476 -2.200 0.407 1.00 0.00 C ATOM 427 CG LEU A 44 1.437 -3.023 1.274 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.222 -4.517 1.044 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.877 -2.634 0.973 1.00 0.00 C ATOM 0 H LEU A 44 -0.101 -1.732 2.803 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.426 -1.254 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.427 -2.662 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.905 -1.207 0.273 1.00 0.00 H new ATOM 0 HG LEU A 44 1.232 -2.809 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.913 -5.084 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.197 -4.781 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.402 -4.753 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.551 -3.224 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.093 -2.824 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.020 -1.575 1.188 1.00 0.00 H new ATOM 441 N LEU A 45 -2.294 -3.437 -0.440 1.00 0.00 N ATOM 442 CA LEU A 45 -3.089 -4.596 -0.816 1.00 0.00 C ATOM 443 C LEU A 45 -2.200 -5.787 -1.155 1.00 0.00 C ATOM 444 O LEU A 45 -2.372 -6.871 -0.600 1.00 0.00 O ATOM 445 CB LEU A 45 -3.999 -4.261 -2.006 1.00 0.00 C ATOM 446 CG LEU A 45 -4.671 -2.879 -1.969 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.160 -2.485 -3.355 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.829 -2.873 -0.992 1.00 0.00 C ATOM 0 H LEU A 45 -2.235 -2.723 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.710 -4.866 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.410 -4.333 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.778 -5.021 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.930 -2.152 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.633 -1.504 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.315 -2.448 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.883 -3.220 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.291 -1.886 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.567 -3.615 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.464 -3.114 0.006 1.00 0.00 H new ATOM 460 N GLU A 46 -1.255 -5.595 -2.076 1.00 0.00 N ATOM 461 CA GLU A 46 -0.368 -6.658 -2.476 1.00 0.00 C ATOM 462 C GLU A 46 1.092 -6.177 -2.488 1.00 0.00 C ATOM 463 O GLU A 46 1.451 -5.241 -1.774 1.00 0.00 O ATOM 464 CB GLU A 46 -0.813 -7.190 -3.843 1.00 0.00 C ATOM 465 CG GLU A 46 -0.397 -6.332 -5.032 1.00 0.00 C ATOM 466 CD GLU A 46 -1.222 -6.623 -6.271 1.00 0.00 C ATOM 467 OE1 GLU A 46 -2.388 -6.178 -6.326 1.00 0.00 O ATOM 468 OE2 GLU A 46 -0.703 -7.299 -7.184 1.00 0.00 O ATOM 0 H GLU A 46 -1.094 -4.708 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.419 -7.474 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.406 -8.192 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.899 -7.284 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.499 -5.279 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.657 -6.506 -5.251 1.00 0.00 H new ATOM 475 N ARG A 47 1.924 -6.829 -3.293 1.00 0.00 N ATOM 476 CA ARG A 47 3.339 -6.484 -3.392 1.00 0.00 C ATOM 477 C ARG A 47 3.802 -6.492 -4.851 1.00 0.00 C ATOM 478 O ARG A 47 3.076 -6.957 -5.730 1.00 0.00 O ATOM 479 CB ARG A 47 4.174 -7.472 -2.575 1.00 0.00 C ATOM 480 CG ARG A 47 4.594 -6.937 -1.216 1.00 0.00 C ATOM 481 CD ARG A 47 5.610 -7.848 -0.547 1.00 0.00 C ATOM 482 NE ARG A 47 4.982 -8.767 0.400 1.00 0.00 N ATOM 483 CZ ARG A 47 5.553 -9.888 0.844 1.00 0.00 C ATOM 484 NH1 ARG A 47 6.766 -10.240 0.432 1.00 0.00 N ATOM 485 NH2 ARG A 47 4.906 -10.660 1.706 1.00 0.00 N ATOM 0 H ARG A 47 1.641 -7.605 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 47 3.476 -5.479 -2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.601 -8.389 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.066 -7.737 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.019 -5.940 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.717 -6.837 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.141 -8.419 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.352 -7.243 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 47 4.049 -8.537 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.271 -9.651 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.193 -11.099 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.975 -10.396 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.340 -11.518 2.048 1.00 0.00 H new ATOM 499 N PRO A 48 5.019 -5.975 -5.136 1.00 0.00 N ATOM 500 CA PRO A 48 5.561 -5.935 -6.504 1.00 0.00 C ATOM 501 C PRO A 48 5.873 -7.324 -7.067 1.00 0.00 C ATOM 502 O PRO A 48 7.015 -7.619 -7.427 1.00 0.00 O ATOM 503 CB PRO A 48 6.846 -5.117 -6.355 1.00 0.00 C ATOM 504 CG PRO A 48 7.242 -5.283 -4.931 1.00 0.00 C ATOM 505 CD PRO A 48 5.959 -5.390 -4.157 1.00 0.00 C ATOM 0 HA PRO A 48 4.843 -5.509 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.625 -5.479 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.677 -4.068 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.854 -6.175 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.835 -4.435 -4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.071 -6.025 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.619 -4.416 -3.805 1.00 0.00 H new ATOM 513 N SER A 49 4.852 -8.170 -7.155 1.00 0.00 N ATOM 514 CA SER A 49 5.015 -9.517 -7.687 1.00 0.00 C ATOM 515 C SER A 49 4.896 -9.510 -9.200 1.00 0.00 C ATOM 516 O SER A 49 5.708 -10.100 -9.913 1.00 0.00 O ATOM 517 CB SER A 49 3.975 -10.458 -7.086 1.00 0.00 C ATOM 518 OG SER A 49 4.422 -10.994 -5.853 1.00 0.00 O ATOM 0 H SER A 49 3.901 -7.945 -6.864 1.00 0.00 H new ATOM 0 HA SER A 49 6.009 -9.873 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.039 -9.921 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.767 -11.269 -7.784 1.00 0.00 H new ATOM 0 HG SER A 49 3.736 -11.592 -5.489 1.00 0.00 H new ATOM 524 N GLU A 50 3.869 -8.829 -9.670 1.00 0.00 N ATOM 525 CA GLU A 50 3.598 -8.709 -11.087 1.00 0.00 C ATOM 526 C GLU A 50 4.440 -7.605 -11.698 1.00 0.00 C ATOM 527 O GLU A 50 4.939 -7.722 -12.817 1.00 0.00 O ATOM 528 CB GLU A 50 2.122 -8.419 -11.293 1.00 0.00 C ATOM 529 CG GLU A 50 1.600 -7.269 -10.463 1.00 0.00 C ATOM 530 CD GLU A 50 0.246 -6.774 -10.933 1.00 0.00 C ATOM 531 OE1 GLU A 50 -0.666 -7.611 -11.101 1.00 0.00 O ATOM 532 OE2 GLU A 50 0.098 -5.551 -11.135 1.00 0.00 O ATOM 0 H GLU A 50 3.197 -8.342 -9.077 1.00 0.00 H new ATOM 0 HA GLU A 50 3.856 -9.646 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.949 -8.201 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.549 -9.315 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.526 -7.582 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.315 -6.447 -10.499 1.00 0.00 H new ATOM 539 N ARG A 51 4.604 -6.541 -10.933 1.00 0.00 N ATOM 540 CA ARG A 51 5.406 -5.395 -11.364 1.00 0.00 C ATOM 541 C ARG A 51 6.353 -4.959 -10.242 1.00 0.00 C ATOM 542 O ARG A 51 5.955 -4.908 -9.078 1.00 0.00 O ATOM 543 CB ARG A 51 4.533 -4.203 -11.811 1.00 0.00 C ATOM 544 CG ARG A 51 3.080 -4.258 -11.356 1.00 0.00 C ATOM 545 CD ARG A 51 2.360 -2.951 -11.645 1.00 0.00 C ATOM 546 NE ARG A 51 2.510 -2.539 -13.039 1.00 0.00 N ATOM 547 CZ ARG A 51 2.195 -1.328 -13.499 1.00 0.00 C ATOM 548 NH1 ARG A 51 1.711 -0.398 -12.681 1.00 0.00 N ATOM 549 NH2 ARG A 51 2.367 -1.044 -14.782 1.00 0.00 N ATOM 0 H ARG A 51 4.193 -6.440 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 51 5.987 -5.716 -12.229 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.981 -3.284 -11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.555 -4.145 -12.899 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.569 -5.077 -11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.039 -4.469 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.301 -3.061 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.750 -2.170 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 51 2.879 -3.221 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.578 -0.608 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.473 0.526 -13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.740 -1.751 -15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.127 -0.118 -15.136 1.00 0.00 H new ATOM 563 N PRO A 52 7.624 -4.640 -10.569 1.00 0.00 N ATOM 564 CA PRO A 52 8.607 -4.219 -9.589 1.00 0.00 C ATOM 565 C PRO A 52 8.719 -2.707 -9.498 1.00 0.00 C ATOM 566 O PRO A 52 9.024 -2.037 -10.486 1.00 0.00 O ATOM 567 CB PRO A 52 9.886 -4.813 -10.161 1.00 0.00 C ATOM 568 CG PRO A 52 9.710 -4.718 -11.645 1.00 0.00 C ATOM 569 CD PRO A 52 8.220 -4.664 -11.913 1.00 0.00 C ATOM 0 HA PRO A 52 8.365 -4.541 -8.576 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.764 -4.259 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.021 -5.847 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.204 -3.829 -12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.160 -5.577 -12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.948 -3.778 -12.487 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.884 -5.529 -12.484 1.00 0.00 H new ATOM 577 N GLY A 53 8.474 -2.173 -8.311 1.00 0.00 N ATOM 578 CA GLY A 53 8.557 -0.740 -8.114 1.00 0.00 C ATOM 579 C GLY A 53 7.230 -0.094 -7.784 1.00 0.00 C ATOM 580 O GLY A 53 7.180 1.101 -7.535 1.00 0.00 O ATOM 0 H GLY A 53 8.219 -2.706 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.262 -0.533 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.960 -0.281 -9.017 1.00 0.00 H new ATOM 584 N TRP A 54 6.163 -0.876 -7.820 1.00 0.00 N ATOM 585 CA TRP A 54 4.823 -0.392 -7.550 1.00 0.00 C ATOM 586 C TRP A 54 4.297 -0.820 -6.168 1.00 0.00 C ATOM 587 O TRP A 54 4.821 -1.749 -5.552 1.00 0.00 O ATOM 588 CB TRP A 54 3.886 -0.877 -8.657 1.00 0.00 C ATOM 589 CG TRP A 54 3.220 -2.197 -8.389 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.765 -3.289 -7.780 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.878 -2.536 -8.701 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.830 -4.300 -7.710 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.661 -3.857 -8.276 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.843 -1.841 -9.309 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.438 -4.499 -8.443 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.374 -2.473 -9.478 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.568 -3.793 -9.048 1.00 0.00 C ATOM 0 H TRP A 54 6.205 -1.871 -8.039 1.00 0.00 H new ATOM 0 HA TRP A 54 4.859 0.697 -7.536 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.115 -0.123 -8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.453 -0.954 -9.585 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.777 -3.352 -7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.982 -5.224 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.986 -0.824 -9.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.288 -5.515 -8.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.188 -1.942 -9.949 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.529 -4.262 -9.197 1.00 0.00 H new ATOM 608 N CYS A 55 3.233 -0.149 -5.712 1.00 0.00 N ATOM 609 CA CYS A 55 2.607 -0.479 -4.427 1.00 0.00 C ATOM 610 C CYS A 55 1.156 -0.015 -4.367 1.00 0.00 C ATOM 611 O CYS A 55 0.734 0.884 -5.086 1.00 0.00 O ATOM 612 CB CYS A 55 3.378 0.096 -3.246 1.00 0.00 C ATOM 613 SG CYS A 55 3.533 -1.037 -1.846 1.00 0.00 S ATOM 0 H CYS A 55 2.789 0.622 -6.211 1.00 0.00 H new ATOM 0 HA CYS A 55 2.630 -1.566 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.375 0.382 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.882 1.006 -2.910 1.00 0.00 H new ATOM 0 HG CYS A 55 2.414 -1.677 -1.680 1.00 0.00 H new ATOM 619 N LEU A 56 0.398 -0.673 -3.514 1.00 0.00 N ATOM 620 CA LEU A 56 -1.016 -0.386 -3.347 1.00 0.00 C ATOM 621 C LEU A 56 -1.322 0.216 -1.978 1.00 0.00 C ATOM 622 O LEU A 56 -0.519 0.106 -1.054 1.00 0.00 O ATOM 623 CB LEU A 56 -1.790 -1.677 -3.537 1.00 0.00 C ATOM 624 CG LEU A 56 -2.006 -2.108 -4.993 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.764 -1.849 -5.847 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.370 -3.577 -5.048 1.00 0.00 C ATOM 0 H LEU A 56 0.743 -1.423 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.313 0.354 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.264 -2.476 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.764 -1.570 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.823 -1.512 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.955 -2.167 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.530 -0.785 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.079 -2.411 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.522 -3.876 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.563 -4.168 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.287 -3.746 -4.484 1.00 0.00 H new ATOM 638 N VAL A 57 -2.480 0.875 -1.861 1.00 0.00 N ATOM 639 CA VAL A 57 -2.875 1.505 -0.601 1.00 0.00 C ATOM 640 C VAL A 57 -4.362 1.255 -0.274 1.00 0.00 C ATOM 641 O VAL A 57 -5.234 1.577 -1.065 1.00 0.00 O ATOM 642 CB VAL A 57 -2.613 3.039 -0.644 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.200 3.359 -0.171 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.849 3.609 -2.035 1.00 0.00 C ATOM 0 H VAL A 57 -3.154 0.984 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.267 1.051 0.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.324 3.511 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.039 4.436 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.071 3.009 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.478 2.861 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.656 4.682 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.178 3.126 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.882 3.428 -2.332 1.00 0.00 H new ATOM 654 N ARG A 58 -4.645 0.697 0.912 1.00 0.00 N ATOM 655 CA ARG A 58 -6.025 0.428 1.336 1.00 0.00 C ATOM 656 C ARG A 58 -6.504 1.481 2.356 1.00 0.00 C ATOM 657 O ARG A 58 -5.777 1.849 3.273 1.00 0.00 O ATOM 658 CB ARG A 58 -6.113 -0.980 1.960 1.00 0.00 C ATOM 659 CG ARG A 58 -7.317 -1.223 2.881 1.00 0.00 C ATOM 660 CD ARG A 58 -8.638 -1.150 2.132 1.00 0.00 C ATOM 661 NE ARG A 58 -8.501 -1.586 0.742 1.00 0.00 N ATOM 662 CZ ARG A 58 -9.065 -2.691 0.228 1.00 0.00 C ATOM 663 NH1 ARG A 58 -9.873 -3.463 0.954 1.00 0.00 N ATOM 664 NH2 ARG A 58 -8.821 -3.032 -1.026 1.00 0.00 N ATOM 0 H ARG A 58 -3.937 0.424 1.593 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.670 0.481 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.140 -1.714 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.201 -1.164 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.221 -2.202 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.314 -0.484 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.377 -1.773 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.013 -0.127 2.156 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.936 -1.009 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.075 -3.220 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.289 -4.297 0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.206 -2.456 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.248 -3.871 -1.419 1.00 0.00 H new ATOM 678 N THR A 59 -7.746 1.934 2.221 1.00 0.00 N ATOM 679 CA THR A 59 -8.298 2.902 3.140 1.00 0.00 C ATOM 680 C THR A 59 -9.063 2.182 4.231 1.00 0.00 C ATOM 681 O THR A 59 -9.923 1.357 3.936 1.00 0.00 O ATOM 682 CB THR A 59 -9.224 3.845 2.394 1.00 0.00 C ATOM 683 OG1 THR A 59 -8.747 4.104 1.086 1.00 0.00 O ATOM 684 CG2 THR A 59 -9.412 5.169 3.071 1.00 0.00 C ATOM 0 H THR A 59 -8.384 1.641 1.481 1.00 0.00 H new ATOM 0 HA THR A 59 -7.490 3.480 3.589 1.00 0.00 H new ATOM 0 HB THR A 59 -10.182 3.326 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.292 4.972 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.086 5.788 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.839 5.014 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.448 5.670 3.165 1.00 0.00 H new ATOM 692 N THR A 60 -8.737 2.481 5.483 1.00 0.00 N ATOM 693 CA THR A 60 -9.400 1.841 6.615 1.00 0.00 C ATOM 694 C THR A 60 -10.101 2.861 7.516 1.00 0.00 C ATOM 695 O THR A 60 -10.954 2.492 8.324 1.00 0.00 O ATOM 696 CB THR A 60 -8.392 1.031 7.430 1.00 0.00 C ATOM 697 OG1 THR A 60 -7.110 1.630 7.381 1.00 0.00 O ATOM 698 CG2 THR A 60 -8.250 -0.399 6.955 1.00 0.00 C ATOM 0 H THR A 60 -8.021 3.160 5.740 1.00 0.00 H new ATOM 0 HA THR A 60 -10.162 1.173 6.213 1.00 0.00 H new ATOM 0 HB THR A 60 -8.784 1.022 8.447 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.480 1.098 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.520 -0.918 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.213 -0.904 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.915 -0.406 5.918 1.00 0.00 H new ATOM 706 N GLU A 61 -9.756 4.145 7.375 1.00 0.00 N ATOM 707 CA GLU A 61 -10.383 5.188 8.182 1.00 0.00 C ATOM 708 C GLU A 61 -11.627 5.758 7.495 1.00 0.00 C ATOM 709 O GLU A 61 -12.116 6.827 7.862 1.00 0.00 O ATOM 710 CB GLU A 61 -9.384 6.310 8.472 1.00 0.00 C ATOM 711 CG GLU A 61 -8.645 6.800 7.239 1.00 0.00 C ATOM 712 CD GLU A 61 -7.970 8.140 7.458 1.00 0.00 C ATOM 713 OE1 GLU A 61 -8.652 9.080 7.918 1.00 0.00 O ATOM 714 OE2 GLU A 61 -6.760 8.251 7.169 1.00 0.00 O ATOM 0 H GLU A 61 -9.054 4.481 6.716 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.696 4.735 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.913 7.148 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.658 5.958 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.896 6.062 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.346 6.882 6.408 1.00 0.00 H new ATOM 721 N ARG A 62 -12.136 5.032 6.505 1.00 0.00 N ATOM 722 CA ARG A 62 -13.310 5.429 5.769 1.00 0.00 C ATOM 723 C ARG A 62 -14.113 4.185 5.414 1.00 0.00 C ATOM 724 O ARG A 62 -13.808 3.496 4.442 1.00 0.00 O ATOM 725 CB ARG A 62 -12.896 6.174 4.506 1.00 0.00 C ATOM 726 CG ARG A 62 -12.942 7.683 4.654 1.00 0.00 C ATOM 727 CD ARG A 62 -13.489 8.358 3.405 1.00 0.00 C ATOM 728 NE ARG A 62 -14.369 9.478 3.728 1.00 0.00 N ATOM 729 CZ ARG A 62 -13.971 10.588 4.350 1.00 0.00 C ATOM 730 NH1 ARG A 62 -12.703 10.738 4.721 1.00 0.00 N ATOM 731 NH2 ARG A 62 -14.844 11.553 4.602 1.00 0.00 N ATOM 0 H ARG A 62 -11.735 4.146 6.196 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.925 6.093 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.885 5.874 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.550 5.877 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.563 7.945 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.940 8.058 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.660 8.713 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.036 7.628 2.808 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.351 9.406 3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.025 10.000 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.408 11.591 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.818 11.446 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.541 12.403 5.078 1.00 0.00 H new ATOM 745 N SER A 63 -15.120 3.891 6.219 1.00 0.00 N ATOM 746 CA SER A 63 -15.946 2.712 6.001 1.00 0.00 C ATOM 747 C SER A 63 -17.040 2.988 4.964 1.00 0.00 C ATOM 748 O SER A 63 -17.766 3.977 5.082 1.00 0.00 O ATOM 749 CB SER A 63 -16.582 2.261 7.318 1.00 0.00 C ATOM 750 OG SER A 63 -15.789 2.651 8.426 1.00 0.00 O ATOM 0 H SER A 63 -15.386 4.451 7.029 1.00 0.00 H new ATOM 0 HA SER A 63 -15.304 1.918 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.579 2.692 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.702 1.178 7.316 1.00 0.00 H new ATOM 0 HG SER A 63 -16.217 2.353 9.256 1.00 0.00 H new ATOM 756 N PRO A 64 -17.184 2.129 3.925 1.00 0.00 N ATOM 757 CA PRO A 64 -16.354 0.928 3.719 1.00 0.00 C ATOM 758 C PRO A 64 -14.958 1.264 3.187 1.00 0.00 C ATOM 759 O PRO A 64 -14.777 2.277 2.510 1.00 0.00 O ATOM 760 CB PRO A 64 -17.142 0.134 2.681 1.00 0.00 C ATOM 761 CG PRO A 64 -17.868 1.168 1.895 1.00 0.00 C ATOM 762 CD PRO A 64 -18.194 2.278 2.860 1.00 0.00 C ATOM 0 HA PRO A 64 -16.178 0.389 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.481 -0.456 2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.833 -0.563 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.253 1.535 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.776 0.756 1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.129 3.255 2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.206 2.182 3.253 1.00 0.00 H new ATOM 770 N PRO A 65 -13.944 0.412 3.475 1.00 0.00 N ATOM 771 CA PRO A 65 -12.565 0.630 3.010 1.00 0.00 C ATOM 772 C PRO A 65 -12.496 1.062 1.554 1.00 0.00 C ATOM 773 O PRO A 65 -13.466 0.938 0.806 1.00 0.00 O ATOM 774 CB PRO A 65 -11.921 -0.742 3.186 1.00 0.00 C ATOM 775 CG PRO A 65 -12.649 -1.353 4.334 1.00 0.00 C ATOM 776 CD PRO A 65 -14.062 -0.832 4.266 1.00 0.00 C ATOM 0 HA PRO A 65 -12.072 1.430 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.023 -1.347 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.854 -0.656 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.632 -2.441 4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.180 -1.082 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.729 -1.548 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.464 -0.637 5.260 1.00 0.00 H new ATOM 784 N GLN A 66 -11.337 1.566 1.165 1.00 0.00 N ATOM 785 CA GLN A 66 -11.106 2.018 -0.180 1.00 0.00 C ATOM 786 C GLN A 66 -9.790 1.427 -0.654 1.00 0.00 C ATOM 787 O GLN A 66 -9.063 0.847 0.147 1.00 0.00 O ATOM 788 CB GLN A 66 -11.094 3.546 -0.219 1.00 0.00 C ATOM 789 CG GLN A 66 -12.265 4.147 -0.968 1.00 0.00 C ATOM 790 CD GLN A 66 -11.970 4.371 -2.438 1.00 0.00 C ATOM 791 OE1 GLN A 66 -12.553 3.722 -3.306 1.00 0.00 O ATOM 792 NE2 GLN A 66 -11.061 5.294 -2.723 1.00 0.00 N ATOM 0 H GLN A 66 -10.532 1.670 1.782 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.902 1.688 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.094 3.926 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.167 3.881 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.128 3.489 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.536 5.097 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.603 5.808 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.820 5.490 -3.695 1.00 0.00 H new ATOM 801 N GLU A 67 -9.467 1.548 -1.933 1.00 0.00 N ATOM 802 CA GLU A 67 -8.218 0.985 -2.423 1.00 0.00 C ATOM 803 C GLU A 67 -7.526 1.941 -3.368 1.00 0.00 C ATOM 804 O GLU A 67 -8.169 2.701 -4.089 1.00 0.00 O ATOM 805 CB GLU A 67 -8.412 -0.371 -3.113 1.00 0.00 C ATOM 806 CG GLU A 67 -9.775 -1.017 -2.892 1.00 0.00 C ATOM 807 CD GLU A 67 -9.898 -2.367 -3.572 1.00 0.00 C ATOM 808 OE1 GLU A 67 -8.854 -3.013 -3.805 1.00 0.00 O ATOM 809 OE2 GLU A 67 -11.038 -2.778 -3.872 1.00 0.00 O ATOM 0 H GLU A 67 -10.037 2.019 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.591 0.824 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.257 -0.242 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.641 -1.055 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.947 -1.136 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.553 -0.353 -3.268 1.00 0.00 H new ATOM 816 N GLY A 68 -6.211 1.896 -3.344 1.00 0.00 N ATOM 817 CA GLY A 68 -5.427 2.783 -4.187 1.00 0.00 C ATOM 818 C GLY A 68 -4.223 2.119 -4.817 1.00 0.00 C ATOM 819 O GLY A 68 -3.748 1.087 -4.342 1.00 0.00 O ATOM 0 H GLY A 68 -5.665 1.264 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.067 3.179 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.092 3.633 -3.592 1.00 0.00 H new ATOM 823 N LEU A 69 -3.728 2.725 -5.891 1.00 0.00 N ATOM 824 CA LEU A 69 -2.573 2.207 -6.603 1.00 0.00 C ATOM 825 C LEU A 69 -1.612 3.318 -7.007 1.00 0.00 C ATOM 826 O LEU A 69 -2.013 4.341 -7.561 1.00 0.00 O ATOM 827 CB LEU A 69 -3.018 1.429 -7.835 1.00 0.00 C ATOM 828 CG LEU A 69 -3.223 -0.057 -7.589 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.560 -0.307 -6.904 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.128 -0.829 -8.893 1.00 0.00 C ATOM 0 H LEU A 69 -4.115 3.582 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.042 1.539 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.950 1.857 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.274 1.557 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.433 -0.411 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.689 -1.376 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.582 0.215 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.368 0.061 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.277 -1.891 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.895 -0.475 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.144 -0.676 -9.336 1.00 0.00 H new ATOM 842 N VAL A 70 -0.338 3.089 -6.729 1.00 0.00 N ATOM 843 CA VAL A 70 0.718 4.035 -7.057 1.00 0.00 C ATOM 844 C VAL A 70 2.039 3.293 -7.065 1.00 0.00 C ATOM 845 O VAL A 70 2.086 2.130 -6.671 1.00 0.00 O ATOM 846 CB VAL A 70 0.799 5.215 -6.054 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.015 6.407 -6.574 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.309 4.815 -4.664 1.00 0.00 C ATOM 0 H VAL A 70 -0.006 2.241 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 70 0.494 4.462 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 70 1.848 5.496 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.082 7.227 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.429 6.726 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.030 6.126 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.382 5.670 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.729 4.489 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.924 4.000 -4.282 1.00 0.00 H new ATOM 858 N PRO A 71 3.142 3.920 -7.491 1.00 0.00 N ATOM 859 CA PRO A 71 4.407 3.252 -7.493 1.00 0.00 C ATOM 860 C PRO A 71 5.101 3.380 -6.149 1.00 0.00 C ATOM 861 O PRO A 71 4.856 4.320 -5.395 1.00 0.00 O ATOM 862 CB PRO A 71 5.191 3.938 -8.599 1.00 0.00 C ATOM 863 CG PRO A 71 4.552 5.286 -8.775 1.00 0.00 C ATOM 864 CD PRO A 71 3.262 5.296 -7.977 1.00 0.00 C ATOM 0 HA PRO A 71 4.312 2.180 -7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.243 4.036 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.150 3.362 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.221 6.074 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.351 5.479 -9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.306 6.009 -7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.410 5.577 -8.596 1.00 0.00 H new ATOM 872 N SER A 72 5.964 2.423 -5.858 1.00 0.00 N ATOM 873 CA SER A 72 6.713 2.388 -4.609 1.00 0.00 C ATOM 874 C SER A 72 7.376 3.732 -4.316 1.00 0.00 C ATOM 875 O SER A 72 7.624 4.069 -3.161 1.00 0.00 O ATOM 876 CB SER A 72 7.774 1.285 -4.659 1.00 0.00 C ATOM 877 OG SER A 72 8.433 1.154 -3.412 1.00 0.00 O ATOM 0 H SER A 72 6.168 1.643 -6.483 1.00 0.00 H new ATOM 0 HA SER A 72 6.008 2.176 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.306 0.338 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.503 1.512 -5.437 1.00 0.00 H new ATOM 0 HG SER A 72 9.104 0.442 -3.470 1.00 0.00 H new ATOM 883 N SER A 73 7.646 4.507 -5.365 1.00 0.00 N ATOM 884 CA SER A 73 8.258 5.818 -5.200 1.00 0.00 C ATOM 885 C SER A 73 7.381 6.702 -4.316 1.00 0.00 C ATOM 886 O SER A 73 7.883 7.547 -3.574 1.00 0.00 O ATOM 887 CB SER A 73 8.468 6.484 -6.562 1.00 0.00 C ATOM 888 OG SER A 73 8.788 7.856 -6.415 1.00 0.00 O ATOM 0 H SER A 73 7.451 4.249 -6.332 1.00 0.00 H new ATOM 0 HA SER A 73 9.228 5.689 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.269 5.976 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.565 6.380 -7.164 1.00 0.00 H new ATOM 0 HG SER A 73 8.919 8.258 -7.299 1.00 0.00 H new ATOM 894 N THR A 74 6.066 6.495 -4.397 1.00 0.00 N ATOM 895 CA THR A 74 5.116 7.258 -3.608 1.00 0.00 C ATOM 896 C THR A 74 4.642 6.467 -2.397 1.00 0.00 C ATOM 897 O THR A 74 3.907 6.990 -1.569 1.00 0.00 O ATOM 898 CB THR A 74 3.916 7.636 -4.469 1.00 0.00 C ATOM 899 OG1 THR A 74 2.915 6.634 -4.433 1.00 0.00 O ATOM 900 CG2 THR A 74 4.280 7.863 -5.911 1.00 0.00 C ATOM 0 H THR A 74 5.639 5.799 -5.008 1.00 0.00 H new ATOM 0 HA THR A 74 5.618 8.159 -3.255 1.00 0.00 H new ATOM 0 HB THR A 74 3.543 8.567 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.031 7.056 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.386 8.129 -6.474 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.006 8.673 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.712 6.952 -6.325 1.00 0.00 H new ATOM 908 N LEU A 75 5.057 5.208 -2.312 1.00 0.00 N ATOM 909 CA LEU A 75 4.684 4.341 -1.228 1.00 0.00 C ATOM 910 C LEU A 75 5.926 3.887 -0.476 1.00 0.00 C ATOM 911 O LEU A 75 7.043 4.297 -0.781 1.00 0.00 O ATOM 912 CB LEU A 75 3.921 3.140 -1.782 1.00 0.00 C ATOM 913 CG LEU A 75 2.632 3.505 -2.534 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.759 3.206 -4.028 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.425 2.778 -1.946 1.00 0.00 C ATOM 0 H LEU A 75 5.665 4.769 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 75 4.040 4.879 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.576 2.586 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.671 2.471 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 75 2.477 4.577 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.831 3.475 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.581 3.786 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.955 2.143 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.528 3.056 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.577 1.701 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.307 3.057 -0.899 1.00 0.00 H new ATOM 927 N CYS A 76 5.718 3.042 0.508 1.00 0.00 N ATOM 928 CA CYS A 76 6.816 2.519 1.322 1.00 0.00 C ATOM 929 C CYS A 76 7.876 1.843 0.455 1.00 0.00 C ATOM 930 O CYS A 76 7.585 0.888 -0.267 1.00 0.00 O ATOM 931 CB CYS A 76 6.292 1.525 2.360 1.00 0.00 C ATOM 932 SG CYS A 76 7.559 0.892 3.484 1.00 0.00 S ATOM 0 H CYS A 76 4.796 2.694 0.773 1.00 0.00 H new ATOM 0 HA CYS A 76 7.275 3.365 1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.510 2.007 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.829 0.685 1.842 1.00 0.00 H new ATOM 0 HG CYS A 76 7.017 0.062 4.325 1.00 0.00 H new ATOM 938 N ILE A 77 9.104 2.345 0.532 1.00 0.00 N ATOM 939 CA ILE A 77 10.207 1.791 -0.244 1.00 0.00 C ATOM 940 C ILE A 77 11.128 0.949 0.633 1.00 0.00 C ATOM 941 O ILE A 77 10.970 0.905 1.852 1.00 0.00 O ATOM 942 CB ILE A 77 11.034 2.902 -0.918 1.00 0.00 C ATOM 943 CG1 ILE A 77 11.577 3.872 0.133 1.00 0.00 C ATOM 944 CG2 ILE A 77 10.190 3.643 -1.945 1.00 0.00 C ATOM 945 CD1 ILE A 77 12.720 4.729 -0.368 1.00 0.00 C ATOM 0 H ILE A 77 9.360 3.135 1.124 1.00 0.00 H new ATOM 0 HA ILE A 77 9.765 1.159 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 77 11.878 2.444 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.768 4.520 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 77 11.913 3.304 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.789 4.425 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.848 2.943 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.328 4.092 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.054 5.392 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.546 4.089 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.384 5.324 -1.217 1.00 0.00 H new ATOM 957 N SER A 78 12.088 0.281 0.003 1.00 0.00 N ATOM 958 CA SER A 78 13.035 -0.561 0.726 1.00 0.00 C ATOM 959 C SER A 78 12.309 -1.672 1.479 1.00 0.00 C ATOM 960 O SER A 78 12.115 -1.590 2.692 1.00 0.00 O ATOM 961 CB SER A 78 13.856 0.283 1.703 1.00 0.00 C ATOM 962 OG SER A 78 14.320 1.472 1.086 1.00 0.00 O ATOM 0 H SER A 78 12.231 0.306 -1.007 1.00 0.00 H new ATOM 0 HA SER A 78 13.707 -1.018 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.247 0.534 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.705 -0.297 2.065 1.00 0.00 H new ATOM 0 HG SER A 78 14.840 1.994 1.732 1.00 0.00 H new ATOM 968 N HIS A 79 11.912 -2.710 0.750 1.00 0.00 N ATOM 969 CA HIS A 79 11.208 -3.838 1.348 1.00 0.00 C ATOM 970 C HIS A 79 12.187 -4.928 1.774 1.00 0.00 C ATOM 971 O HIS A 79 11.951 -5.645 2.746 1.00 0.00 O ATOM 972 CB HIS A 79 10.183 -4.406 0.363 1.00 0.00 C ATOM 973 CG HIS A 79 8.874 -4.759 1.000 1.00 0.00 C ATOM 974 ND1 HIS A 79 8.553 -6.037 1.404 1.00 0.00 N ATOM 975 CD2 HIS A 79 7.800 -3.990 1.301 1.00 0.00 C ATOM 976 CE1 HIS A 79 7.339 -6.040 1.926 1.00 0.00 C ATOM 977 NE2 HIS A 79 6.862 -4.811 1.875 1.00 0.00 N ATOM 0 H HIS A 79 12.066 -2.793 -0.255 1.00 0.00 H new ATOM 0 HA HIS A 79 10.686 -3.481 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.008 -3.677 -0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.599 -5.295 -0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.701 -2.929 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.825 -6.901 2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.944 -4.518 2.209 1.00 0.00 H new ATOM 986 N SER A 80 13.288 -5.049 1.038 1.00 0.00 N ATOM 987 CA SER A 80 14.303 -6.051 1.339 1.00 0.00 C ATOM 988 C SER A 80 14.894 -5.829 2.727 1.00 0.00 C ATOM 989 O SER A 80 14.976 -4.696 3.204 1.00 0.00 O ATOM 990 CB SER A 80 15.414 -6.014 0.287 1.00 0.00 C ATOM 991 OG SER A 80 16.064 -4.755 0.276 1.00 0.00 O ATOM 0 H SER A 80 13.499 -4.465 0.229 1.00 0.00 H new ATOM 0 HA SER A 80 13.826 -7.031 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.140 -6.800 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.994 -6.218 -0.698 1.00 0.00 H new ATOM 0 HG SER A 80 16.771 -4.758 -0.403 1.00 0.00 H new TER 997 SER A 80