USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=15 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= -1.2! USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0543 F(o=-0.91,f=-0.054) USER MOD Single : A 18 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.36) USER MOD Single : A 21 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 22 THR OG1 : rot -78:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -24:sc= 0.558 USER MOD Single : A 26 ASN : amide:sc= -2.36! C(o=-2.4!,f=-8.7!) USER MOD Single : A 28 THR OG1 : rot 47:sc= 0.962 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -38:sc= 0.395 USER MOD Single : A 36 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 48 MET CE :methyl -158:sc= -0.135 (180deg=-0.703) USER MOD Single : A 54 ASN : amide:sc=-0.00764 K(o=-0.0076,f=-0.71) USER MOD Single : A 64 ASN : amide:sc= -0.0101 K(o=-0.01,f=-3!) USER MOD Single : A 66 TYR OH : rot 15:sc= 0 USER MOD Single : A 69 THR OG1 : rot -49:sc= 0.401 USER MOD Single : A 70 SER OG : rot -78:sc= 1.18 USER MOD Single : A 74 THR OG1 : rot -40:sc= 0.578 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.677 3.222 5.535 1.00 0.00 N ATOM 2 CA GLY A 10 9.926 4.468 5.497 1.00 0.00 C ATOM 3 C GLY A 10 9.144 4.696 4.214 1.00 0.00 C ATOM 4 O GLY A 10 8.315 3.868 3.835 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.232 4.485 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.618 5.298 5.638 1.00 0.00 H new ATOM 8 N PRO A 11 9.388 5.829 3.528 1.00 0.00 N ATOM 9 CA PRO A 11 8.668 6.197 2.308 1.00 0.00 C ATOM 10 C PRO A 11 9.067 5.337 1.112 1.00 0.00 C ATOM 11 O PRO A 11 10.230 4.958 0.962 1.00 0.00 O ATOM 12 CB PRO A 11 9.067 7.663 2.062 1.00 0.00 C ATOM 13 CG PRO A 11 9.834 8.091 3.269 1.00 0.00 C ATOM 14 CD PRO A 11 10.391 6.841 3.883 1.00 0.00 C ATOM 0 HA PRO A 11 7.594 6.051 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.674 7.756 1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.186 8.288 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.634 8.779 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.188 8.615 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.373 6.595 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.504 6.937 4.963 1.00 0.00 H new ATOM 22 N PHE A 12 8.100 5.044 0.261 1.00 0.00 N ATOM 23 CA PHE A 12 8.337 4.208 -0.910 1.00 0.00 C ATOM 24 C PHE A 12 8.208 5.015 -2.197 1.00 0.00 C ATOM 25 O PHE A 12 8.078 6.237 -2.168 1.00 0.00 O ATOM 26 CB PHE A 12 7.357 3.032 -0.933 1.00 0.00 C ATOM 27 CG PHE A 12 5.900 3.427 -0.900 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.251 3.635 0.305 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.179 3.582 -2.074 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.915 3.989 0.339 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.844 3.936 -2.044 1.00 0.00 C ATOM 32 CZ PHE A 12 3.213 4.141 -0.837 1.00 0.00 C ATOM 0 H PHE A 12 7.139 5.372 0.357 1.00 0.00 H new ATOM 0 HA PHE A 12 9.355 3.824 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.540 2.442 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.564 2.387 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.795 3.519 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.667 3.424 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.422 4.146 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.295 4.052 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.170 4.420 -0.812 1.00 0.00 H new ATOM 42 N THR A 13 8.269 4.318 -3.321 1.00 0.00 N ATOM 43 CA THR A 13 8.075 4.931 -4.622 1.00 0.00 C ATOM 44 C THR A 13 6.969 4.193 -5.359 1.00 0.00 C ATOM 45 O THR A 13 6.469 3.182 -4.862 1.00 0.00 O ATOM 46 CB THR A 13 9.363 4.872 -5.462 1.00 0.00 C ATOM 47 OG1 THR A 13 9.621 3.521 -5.874 1.00 0.00 O ATOM 48 CG2 THR A 13 10.544 5.384 -4.659 1.00 0.00 C ATOM 0 H THR A 13 8.454 3.315 -3.355 1.00 0.00 H new ATOM 0 HA THR A 13 7.806 5.977 -4.474 1.00 0.00 H new ATOM 0 HB THR A 13 9.228 5.502 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.441 3.493 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.447 5.335 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.362 6.417 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.673 4.768 -3.769 1.00 0.00 H new ATOM 56 N ARG A 14 6.605 4.668 -6.542 1.00 0.00 N ATOM 57 CA ARG A 14 5.621 3.975 -7.363 1.00 0.00 C ATOM 58 C ARG A 14 6.141 2.596 -7.720 1.00 0.00 C ATOM 59 O ARG A 14 5.435 1.596 -7.612 1.00 0.00 O ATOM 60 CB ARG A 14 5.352 4.742 -8.650 1.00 0.00 C ATOM 61 CG ARG A 14 4.202 4.164 -9.459 1.00 0.00 C ATOM 62 CD ARG A 14 3.987 4.913 -10.758 1.00 0.00 C ATOM 63 NE ARG A 14 2.989 4.256 -11.602 1.00 0.00 N ATOM 64 CZ ARG A 14 1.983 4.886 -12.201 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.844 6.198 -12.065 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.121 4.202 -12.941 1.00 0.00 N ATOM 0 H ARG A 14 6.974 5.526 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 14 4.695 3.898 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.131 5.781 -8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.254 4.742 -9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.403 3.115 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.288 4.198 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.667 5.932 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.931 4.983 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 14 3.070 3.249 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.510 6.726 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.072 6.679 -12.525 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.230 3.194 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.349 4.684 -13.401 1.00 0.00 H new ATOM 80 N ARG A 15 7.393 2.574 -8.147 1.00 0.00 N ATOM 81 CA ARG A 15 8.077 1.339 -8.502 1.00 0.00 C ATOM 82 C ARG A 15 8.031 0.347 -7.346 1.00 0.00 C ATOM 83 O ARG A 15 7.679 -0.823 -7.529 1.00 0.00 O ATOM 84 CB ARG A 15 9.527 1.634 -8.867 1.00 0.00 C ATOM 85 CG ARG A 15 9.685 2.590 -10.034 1.00 0.00 C ATOM 86 CD ARG A 15 9.074 2.028 -11.307 1.00 0.00 C ATOM 87 NE ARG A 15 9.236 2.945 -12.430 1.00 0.00 N ATOM 88 CZ ARG A 15 8.479 2.933 -13.523 1.00 0.00 C ATOM 89 NH1 ARG A 15 7.536 2.010 -13.684 1.00 0.00 N ATOM 90 NH2 ARG A 15 8.670 3.840 -14.471 1.00 0.00 N ATOM 0 H ARG A 15 7.965 3.411 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 15 7.569 0.899 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.033 2.052 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.029 0.697 -9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.211 3.541 -9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.743 2.793 -10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.543 1.073 -11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.014 1.832 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 15 9.979 3.641 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.388 1.302 -12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.961 2.010 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.397 4.547 -14.362 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.090 3.831 -15.310 1.00 0.00 H new ATOM 104 N GLN A 16 8.380 0.824 -6.155 1.00 0.00 N ATOM 105 CA GLN A 16 8.340 -0.014 -4.964 1.00 0.00 C ATOM 106 C GLN A 16 6.913 -0.465 -4.686 1.00 0.00 C ATOM 107 O GLN A 16 6.664 -1.647 -4.475 1.00 0.00 O ATOM 108 CB GLN A 16 8.892 0.728 -3.746 1.00 0.00 C ATOM 109 CG GLN A 16 10.329 1.199 -3.901 1.00 0.00 C ATOM 110 CD GLN A 16 11.313 0.071 -4.163 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.041 -1.109 -3.620 1.00 0.00 O flip ATOM 112 NE2 GLN A 16 12.319 0.264 -4.841 1.00 0.00 N flip ATOM 0 H GLN A 16 8.692 1.781 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 16 8.967 -0.886 -5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.259 1.591 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.828 0.074 -2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.382 1.914 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.629 1.729 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.495 1.185 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.979 -0.497 -5.003 1.00 0.00 H new ATOM 121 N ALA A 17 5.987 0.488 -4.696 1.00 0.00 N ATOM 122 CA ALA A 17 4.572 0.200 -4.461 1.00 0.00 C ATOM 123 C ALA A 17 4.060 -0.903 -5.384 1.00 0.00 C ATOM 124 O ALA A 17 3.442 -1.867 -4.927 1.00 0.00 O ATOM 125 CB ALA A 17 3.744 1.462 -4.645 1.00 0.00 C ATOM 0 H ALA A 17 6.190 1.473 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 17 4.471 -0.152 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.692 1.236 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.076 2.222 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.869 1.834 -5.662 1.00 0.00 H new ATOM 131 N GLN A 18 4.339 -0.768 -6.676 1.00 0.00 N ATOM 132 CA GLN A 18 3.900 -1.739 -7.668 1.00 0.00 C ATOM 133 C GLN A 18 4.376 -3.143 -7.317 1.00 0.00 C ATOM 134 O GLN A 18 3.626 -4.113 -7.442 1.00 0.00 O ATOM 135 CB GLN A 18 4.417 -1.349 -9.051 1.00 0.00 C ATOM 136 CG GLN A 18 3.760 -0.103 -9.626 1.00 0.00 C ATOM 137 CD GLN A 18 2.255 -0.236 -9.737 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.518 0.109 -8.813 1.00 0.00 O ATOM 139 NE2 GLN A 18 1.786 -0.735 -10.868 1.00 0.00 N ATOM 0 H GLN A 18 4.872 0.012 -7.062 1.00 0.00 H new ATOM 0 HA GLN A 18 2.810 -1.740 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.493 -1.187 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.257 -2.181 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.000 0.753 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.177 0.101 -10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.430 -1.009 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.780 -0.846 -10.998 1.00 0.00 H new ATOM 148 N ALA A 19 5.619 -3.246 -6.868 1.00 0.00 N ATOM 149 CA ALA A 19 6.200 -4.536 -6.512 1.00 0.00 C ATOM 150 C ALA A 19 5.466 -5.191 -5.338 1.00 0.00 C ATOM 151 O ALA A 19 5.369 -6.417 -5.260 1.00 0.00 O ATOM 152 CB ALA A 19 7.674 -4.374 -6.180 1.00 0.00 C ATOM 0 H ALA A 19 6.246 -2.452 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 19 6.092 -5.192 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.096 -5.344 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.200 -3.973 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.784 -3.689 -5.339 1.00 0.00 H new ATOM 158 N VAL A 20 4.889 -4.385 -4.459 1.00 0.00 N ATOM 159 CA VAL A 20 4.328 -4.918 -3.232 1.00 0.00 C ATOM 160 C VAL A 20 2.886 -5.241 -3.490 1.00 0.00 C ATOM 161 O VAL A 20 2.298 -6.116 -2.867 1.00 0.00 O ATOM 162 CB VAL A 20 4.413 -3.919 -2.062 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.218 -4.631 -0.731 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.737 -3.179 -2.073 1.00 0.00 C ATOM 0 H VAL A 20 4.799 -3.375 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 20 4.901 -5.801 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 20 3.613 -3.190 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.282 -3.907 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.239 -5.110 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.994 -5.387 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.770 -2.481 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.554 -3.894 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.839 -2.630 -3.009 1.00 0.00 H new ATOM 174 N THR A 21 2.343 -4.527 -4.450 1.00 0.00 N ATOM 175 CA THR A 21 0.973 -4.694 -4.849 1.00 0.00 C ATOM 176 C THR A 21 0.822 -5.909 -5.761 1.00 0.00 C ATOM 177 O THR A 21 -0.203 -6.593 -5.748 1.00 0.00 O ATOM 178 CB THR A 21 0.487 -3.434 -5.568 1.00 0.00 C ATOM 179 OG1 THR A 21 0.834 -2.273 -4.803 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.000 -3.489 -5.735 1.00 0.00 C ATOM 0 H THR A 21 2.846 -3.812 -4.976 1.00 0.00 H new ATOM 0 HA THR A 21 0.367 -4.856 -3.958 1.00 0.00 H new ATOM 0 HB THR A 21 0.963 -3.379 -6.547 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.807 -2.155 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.342 -2.590 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.268 -4.366 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.474 -3.551 -4.755 1.00 0.00 H new ATOM 188 N THR A 22 1.847 -6.176 -6.556 1.00 0.00 N ATOM 189 CA THR A 22 1.879 -7.388 -7.349 1.00 0.00 C ATOM 190 C THR A 22 2.158 -8.587 -6.447 1.00 0.00 C ATOM 191 O THR A 22 1.770 -9.717 -6.752 1.00 0.00 O ATOM 192 CB THR A 22 2.929 -7.306 -8.474 1.00 0.00 C ATOM 193 OG1 THR A 22 4.136 -6.718 -7.976 1.00 0.00 O ATOM 194 CG2 THR A 22 2.405 -6.488 -9.645 1.00 0.00 C ATOM 0 H THR A 22 2.661 -5.572 -6.667 1.00 0.00 H new ATOM 0 HA THR A 22 0.904 -7.509 -7.822 1.00 0.00 H new ATOM 0 HB THR A 22 3.136 -8.318 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.024 -5.747 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.164 -6.444 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.503 -6.955 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.172 -5.478 -9.308 1.00 0.00 H new ATOM 202 N THR A 23 2.827 -8.325 -5.326 1.00 0.00 N ATOM 203 CA THR A 23 3.027 -9.333 -4.302 1.00 0.00 C ATOM 204 C THR A 23 1.742 -9.547 -3.490 1.00 0.00 C ATOM 205 O THR A 23 1.249 -10.669 -3.385 1.00 0.00 O ATOM 206 CB THR A 23 4.193 -8.943 -3.373 1.00 0.00 C ATOM 207 OG1 THR A 23 5.387 -8.769 -4.150 1.00 0.00 O ATOM 208 CG2 THR A 23 4.442 -10.004 -2.317 1.00 0.00 C ATOM 0 H THR A 23 3.239 -7.418 -5.109 1.00 0.00 H new ATOM 0 HA THR A 23 3.280 -10.271 -4.796 1.00 0.00 H new ATOM 0 HB THR A 23 3.925 -8.013 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.499 -7.821 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.271 -9.696 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.545 -10.131 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.689 -10.949 -2.802 1.00 0.00 H new ATOM 216 N TYR A 24 1.194 -8.476 -2.918 1.00 0.00 N ATOM 217 CA TYR A 24 -0.064 -8.554 -2.212 1.00 0.00 C ATOM 218 C TYR A 24 -1.082 -7.688 -2.935 1.00 0.00 C ATOM 219 O TYR A 24 -1.059 -6.472 -2.810 1.00 0.00 O ATOM 220 CB TYR A 24 0.115 -8.055 -0.775 1.00 0.00 C ATOM 221 CG TYR A 24 1.212 -8.762 -0.018 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.007 -10.022 0.508 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.461 -8.172 0.148 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.011 -10.683 1.188 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.473 -8.827 0.825 1.00 0.00 C ATOM 226 CZ TYR A 24 3.242 -10.085 1.340 1.00 0.00 C ATOM 227 OH TYR A 24 4.242 -10.748 2.009 1.00 0.00 O ATOM 0 H TYR A 24 1.611 -7.545 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.410 -9.587 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.330 -6.987 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.825 -8.181 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.046 -10.499 0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.643 -7.188 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.831 -11.665 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.437 -8.357 0.950 1.00 0.00 H new ATOM 0 HH TYR A 24 5.048 -10.191 2.028 1.00 0.00 H new ATOM 237 N SER A 25 -1.958 -8.299 -3.711 1.00 0.00 N ATOM 238 CA SER A 25 -2.917 -7.543 -4.495 1.00 0.00 C ATOM 239 C SER A 25 -4.131 -7.132 -3.662 1.00 0.00 C ATOM 240 O SER A 25 -5.178 -6.769 -4.197 1.00 0.00 O ATOM 241 CB SER A 25 -3.322 -8.355 -5.709 1.00 0.00 C ATOM 242 OG SER A 25 -2.177 -8.684 -6.475 1.00 0.00 O ATOM 0 H SER A 25 -2.025 -9.311 -3.815 1.00 0.00 H new ATOM 0 HA SER A 25 -2.447 -6.618 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.833 -9.265 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.026 -7.788 -6.318 1.00 0.00 H new ATOM 0 HG SER A 25 -1.465 -8.035 -6.295 1.00 0.00 H new ATOM 248 N ASN A 26 -3.976 -7.190 -2.345 1.00 0.00 N ATOM 249 CA ASN A 26 -4.933 -6.578 -1.440 1.00 0.00 C ATOM 250 C ASN A 26 -4.519 -5.132 -1.221 1.00 0.00 C ATOM 251 O ASN A 26 -5.318 -4.291 -0.809 1.00 0.00 O ATOM 252 CB ASN A 26 -5.005 -7.314 -0.098 1.00 0.00 C ATOM 253 CG ASN A 26 -3.705 -7.261 0.686 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.618 -7.329 0.121 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.809 -7.123 1.997 1.00 0.00 N ATOM 0 H ASN A 26 -3.195 -7.656 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.926 -6.634 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.803 -6.880 0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.272 -8.356 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.969 -7.070 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.730 -7.070 2.433 1.00 0.00 H new ATOM 262 N ILE A 27 -3.245 -4.865 -1.501 1.00 0.00 N ATOM 263 CA ILE A 27 -2.729 -3.513 -1.517 1.00 0.00 C ATOM 264 C ILE A 27 -3.252 -2.828 -2.772 1.00 0.00 C ATOM 265 O ILE A 27 -3.450 -3.486 -3.792 1.00 0.00 O ATOM 266 CB ILE A 27 -1.180 -3.485 -1.542 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.577 -4.581 -0.649 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.669 -2.109 -1.129 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.900 -4.407 -0.384 1.00 0.00 C ATOM 0 H ILE A 27 -2.552 -5.580 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.056 -3.004 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.859 -3.687 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.108 -4.594 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.741 -5.551 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.421 -2.104 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.049 -1.357 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.013 -1.881 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.253 -5.218 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.444 -4.424 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.070 -3.453 0.115 1.00 0.00 H new ATOM 281 N THR A 28 -3.502 -1.532 -2.711 1.00 0.00 N ATOM 282 CA THR A 28 -4.021 -0.832 -3.873 1.00 0.00 C ATOM 283 C THR A 28 -3.563 0.617 -3.903 1.00 0.00 C ATOM 284 O THR A 28 -3.657 1.331 -2.904 1.00 0.00 O ATOM 285 CB THR A 28 -5.561 -0.902 -3.932 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.080 -1.406 -2.691 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.019 -1.798 -5.072 1.00 0.00 C ATOM 0 H THR A 28 -3.357 -0.951 -1.885 1.00 0.00 H new ATOM 0 HA THR A 28 -3.619 -1.336 -4.752 1.00 0.00 H new ATOM 0 HB THR A 28 -5.939 0.106 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.648 -0.942 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.108 -1.832 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.650 -1.401 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.628 -2.804 -4.923 1.00 0.00 H new ATOM 295 N LEU A 29 -3.041 1.032 -5.048 1.00 0.00 N ATOM 296 CA LEU A 29 -2.585 2.398 -5.231 1.00 0.00 C ATOM 297 C LEU A 29 -3.784 3.295 -5.496 1.00 0.00 C ATOM 298 O LEU A 29 -4.346 3.299 -6.592 1.00 0.00 O ATOM 299 CB LEU A 29 -1.569 2.465 -6.382 1.00 0.00 C ATOM 300 CG LEU A 29 -0.685 3.718 -6.429 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.504 3.486 -7.344 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.471 4.930 -6.906 1.00 0.00 C ATOM 0 H LEU A 29 -2.923 0.436 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.085 2.747 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.922 1.590 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.112 2.393 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.331 3.915 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.124 4.382 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.093 2.648 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.150 3.261 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.817 5.802 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.859 4.741 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.301 5.117 -6.225 1.00 0.00 H new ATOM 314 N GLU A 30 -4.178 4.033 -4.477 1.00 0.00 N ATOM 315 CA GLU A 30 -5.350 4.883 -4.551 1.00 0.00 C ATOM 316 C GLU A 30 -4.924 6.342 -4.486 1.00 0.00 C ATOM 317 O GLU A 30 -3.778 6.639 -4.138 1.00 0.00 O ATOM 318 CB GLU A 30 -6.306 4.571 -3.392 1.00 0.00 C ATOM 319 CG GLU A 30 -6.594 3.086 -3.198 1.00 0.00 C ATOM 320 CD GLU A 30 -7.419 2.475 -4.312 1.00 0.00 C ATOM 321 OE1 GLU A 30 -6.840 2.066 -5.338 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.656 2.381 -4.160 1.00 0.00 O ATOM 0 H GLU A 30 -3.697 4.061 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.866 4.695 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.883 4.971 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.248 5.092 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.649 2.549 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.117 2.947 -2.252 1.00 0.00 H new ATOM 329 N ASP A 31 -5.848 7.238 -4.821 1.00 0.00 N ATOM 330 CA ASP A 31 -5.613 8.682 -4.743 1.00 0.00 C ATOM 331 C ASP A 31 -4.554 9.108 -5.757 1.00 0.00 C ATOM 332 O ASP A 31 -3.638 9.862 -5.444 1.00 0.00 O ATOM 333 CB ASP A 31 -5.203 9.086 -3.319 1.00 0.00 C ATOM 334 CG ASP A 31 -5.354 10.575 -3.062 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.494 11.029 -2.837 1.00 0.00 O ATOM 336 OD2 ASP A 31 -4.337 11.297 -3.056 1.00 0.00 O ATOM 0 H ASP A 31 -6.779 6.988 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.542 9.197 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.810 8.535 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.166 8.796 -3.148 1.00 0.00 H new ATOM 341 N ASP A 32 -4.700 8.618 -6.986 1.00 0.00 N ATOM 342 CA ASP A 32 -3.761 8.924 -8.057 1.00 0.00 C ATOM 343 C ASP A 32 -3.786 10.406 -8.414 1.00 0.00 C ATOM 344 O ASP A 32 -4.674 10.865 -9.133 1.00 0.00 O ATOM 345 CB ASP A 32 -4.091 8.113 -9.310 1.00 0.00 C ATOM 346 CG ASP A 32 -3.738 6.646 -9.189 1.00 0.00 C ATOM 347 OD1 ASP A 32 -4.529 5.887 -8.586 1.00 0.00 O ATOM 348 OD2 ASP A 32 -2.683 6.241 -9.722 1.00 0.00 O ATOM 0 H ASP A 32 -5.465 8.004 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.767 8.662 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.156 8.206 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.557 8.538 -10.160 1.00 0.00 H new ATOM 353 N GLN A 33 -2.821 11.150 -7.906 1.00 0.00 N ATOM 354 CA GLN A 33 -2.679 12.555 -8.249 1.00 0.00 C ATOM 355 C GLN A 33 -1.237 12.832 -8.669 1.00 0.00 C ATOM 356 O GLN A 33 -0.541 13.659 -8.076 1.00 0.00 O ATOM 357 CB GLN A 33 -3.078 13.434 -7.059 1.00 0.00 C ATOM 358 CG GLN A 33 -3.310 14.893 -7.421 1.00 0.00 C ATOM 359 CD GLN A 33 -3.837 15.701 -6.255 1.00 0.00 C ATOM 360 OE1 GLN A 33 -5.048 15.805 -6.052 1.00 0.00 O ATOM 361 NE2 GLN A 33 -2.936 16.283 -5.483 1.00 0.00 N ATOM 0 H GLN A 33 -2.120 10.804 -7.251 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.341 12.794 -9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.987 13.032 -6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.297 13.378 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.375 15.331 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.017 14.951 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.943 16.172 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.234 16.843 -4.684 1.00 0.00 H new ATOM 370 N GLY A 34 -0.789 12.109 -9.686 1.00 0.00 N ATOM 371 CA GLY A 34 0.575 12.252 -10.158 1.00 0.00 C ATOM 372 C GLY A 34 1.566 11.602 -9.215 1.00 0.00 C ATOM 373 O GLY A 34 1.570 10.381 -9.063 1.00 0.00 O ATOM 0 H GLY A 34 -1.347 11.424 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.666 11.804 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.814 13.310 -10.264 1.00 0.00 H new ATOM 377 N SER A 35 2.394 12.414 -8.568 1.00 0.00 N ATOM 378 CA SER A 35 3.350 11.908 -7.592 1.00 0.00 C ATOM 379 C SER A 35 2.702 11.836 -6.210 1.00 0.00 C ATOM 380 O SER A 35 3.329 11.420 -5.234 1.00 0.00 O ATOM 381 CB SER A 35 4.596 12.801 -7.552 1.00 0.00 C ATOM 382 OG SER A 35 5.589 12.266 -6.689 1.00 0.00 O ATOM 0 H SER A 35 2.422 13.425 -8.702 1.00 0.00 H new ATOM 0 HA SER A 35 3.654 10.904 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.003 12.905 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.319 13.800 -7.215 1.00 0.00 H new ATOM 0 HG SER A 35 5.160 11.873 -5.900 1.00 0.00 H new ATOM 388 N HIS A 36 1.447 12.258 -6.134 1.00 0.00 N ATOM 389 CA HIS A 36 0.680 12.171 -4.903 1.00 0.00 C ATOM 390 C HIS A 36 -0.260 10.981 -4.981 1.00 0.00 C ATOM 391 O HIS A 36 -1.023 10.865 -5.934 1.00 0.00 O ATOM 392 CB HIS A 36 -0.127 13.452 -4.689 1.00 0.00 C ATOM 393 CG HIS A 36 0.245 14.223 -3.461 1.00 0.00 C ATOM 394 ND1 HIS A 36 -0.668 14.559 -2.488 1.00 0.00 N ATOM 395 CD2 HIS A 36 1.426 14.757 -3.067 1.00 0.00 C ATOM 396 CE1 HIS A 36 -0.070 15.266 -1.549 1.00 0.00 C ATOM 397 NE2 HIS A 36 1.201 15.398 -1.873 1.00 0.00 N ATOM 0 H HIS A 36 0.937 12.666 -6.917 1.00 0.00 H new ATOM 0 HA HIS A 36 1.364 12.045 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.000 14.096 -5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.185 13.195 -4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.367 14.691 -3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.542 15.669 -0.665 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.904 15.895 -1.326 1.00 0.00 H new ATOM 406 N PHE A 37 -0.175 10.088 -4.005 1.00 0.00 N ATOM 407 CA PHE A 37 -1.045 8.916 -3.946 1.00 0.00 C ATOM 408 C PHE A 37 -0.818 8.165 -2.643 1.00 0.00 C ATOM 409 O PHE A 37 0.117 8.475 -1.896 1.00 0.00 O ATOM 410 CB PHE A 37 -0.814 7.983 -5.148 1.00 0.00 C ATOM 411 CG PHE A 37 0.610 7.526 -5.330 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.080 6.395 -4.681 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.473 8.221 -6.162 1.00 0.00 C ATOM 414 CE1 PHE A 37 2.382 5.970 -4.857 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.775 7.798 -6.342 1.00 0.00 C ATOM 416 CZ PHE A 37 3.231 6.672 -5.689 1.00 0.00 C ATOM 0 H PHE A 37 0.492 10.152 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.079 9.260 -3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.451 7.105 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.135 8.496 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.420 5.840 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.123 9.104 -6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.736 5.088 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.436 8.349 -6.994 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.249 6.340 -5.828 1.00 0.00 H new ATOM 426 N ARG A 38 -1.675 7.190 -2.363 1.00 0.00 N ATOM 427 CA ARG A 38 -1.530 6.381 -1.159 1.00 0.00 C ATOM 428 C ARG A 38 -1.960 4.938 -1.402 1.00 0.00 C ATOM 429 O ARG A 38 -2.886 4.669 -2.164 1.00 0.00 O ATOM 430 CB ARG A 38 -2.336 6.983 0.002 1.00 0.00 C ATOM 431 CG ARG A 38 -3.841 6.986 -0.211 1.00 0.00 C ATOM 432 CD ARG A 38 -4.555 7.666 0.948 1.00 0.00 C ATOM 433 NE ARG A 38 -6.010 7.672 0.779 1.00 0.00 N ATOM 434 CZ ARG A 38 -6.699 8.722 0.333 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.071 9.831 -0.023 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.021 8.663 0.247 1.00 0.00 N ATOM 0 H ARG A 38 -2.472 6.942 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.473 6.380 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.111 6.425 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.003 8.008 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.079 7.501 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.199 5.962 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.302 7.156 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.198 8.692 1.040 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.525 6.824 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.055 9.885 0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.603 10.632 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.513 7.813 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.546 9.468 -0.095 1.00 0.00 H new ATOM 450 N LEU A 39 -1.277 4.017 -0.745 1.00 0.00 N ATOM 451 CA LEU A 39 -1.608 2.606 -0.840 1.00 0.00 C ATOM 452 C LEU A 39 -2.599 2.225 0.241 1.00 0.00 C ATOM 453 O LEU A 39 -2.277 2.229 1.430 1.00 0.00 O ATOM 454 CB LEU A 39 -0.361 1.736 -0.709 1.00 0.00 C ATOM 455 CG LEU A 39 0.644 1.855 -1.843 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.920 1.117 -1.485 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.063 1.301 -3.132 1.00 0.00 C ATOM 0 H LEU A 39 -0.485 4.223 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.052 2.436 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.140 1.989 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.673 0.694 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 39 0.874 2.910 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.634 1.208 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.348 1.548 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.696 0.064 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.797 1.395 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.191 0.250 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.835 1.860 -3.396 1.00 0.00 H new ATOM 469 N VAL A 40 -3.806 1.930 -0.177 1.00 0.00 N ATOM 470 CA VAL A 40 -4.816 1.422 0.724 1.00 0.00 C ATOM 471 C VAL A 40 -4.736 -0.096 0.754 1.00 0.00 C ATOM 472 O VAL A 40 -4.953 -0.759 -0.260 1.00 0.00 O ATOM 473 CB VAL A 40 -6.234 1.867 0.304 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.287 1.274 1.225 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.331 3.383 0.299 1.00 0.00 C ATOM 0 H VAL A 40 -4.116 2.034 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.627 1.829 1.717 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.420 1.499 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.276 1.603 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.236 0.186 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.105 1.607 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.336 3.682 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.120 3.764 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.607 3.792 -0.406 1.00 0.00 H new ATOM 485 N VAL A 41 -4.387 -0.639 1.904 1.00 0.00 N ATOM 486 CA VAL A 41 -4.274 -2.072 2.061 1.00 0.00 C ATOM 487 C VAL A 41 -5.601 -2.629 2.546 1.00 0.00 C ATOM 488 O VAL A 41 -6.011 -2.397 3.686 1.00 0.00 O ATOM 489 CB VAL A 41 -3.163 -2.463 3.056 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.841 -3.940 2.928 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.914 -1.623 2.839 1.00 0.00 C ATOM 0 H VAL A 41 -4.176 -0.104 2.747 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.012 -2.492 1.090 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.525 -2.269 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.055 -4.204 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.734 -4.527 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.502 -4.152 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.147 -1.920 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.544 -1.776 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.155 -0.570 2.982 1.00 0.00 H new ATOM 501 N ARG A 42 -6.280 -3.332 1.663 1.00 0.00 N ATOM 502 CA ARG A 42 -7.574 -3.896 1.974 1.00 0.00 C ATOM 503 C ARG A 42 -7.415 -5.345 2.412 1.00 0.00 C ATOM 504 O ARG A 42 -6.331 -5.913 2.307 1.00 0.00 O ATOM 505 CB ARG A 42 -8.502 -3.790 0.759 1.00 0.00 C ATOM 506 CG ARG A 42 -8.836 -2.353 0.369 1.00 0.00 C ATOM 507 CD ARG A 42 -9.552 -2.285 -0.974 1.00 0.00 C ATOM 508 NE ARG A 42 -10.140 -0.965 -1.233 1.00 0.00 N ATOM 509 CZ ARG A 42 -9.677 -0.096 -2.140 1.00 0.00 C ATOM 510 NH1 ARG A 42 -8.572 -0.358 -2.819 1.00 0.00 N ATOM 511 NH2 ARG A 42 -10.310 1.048 -2.366 1.00 0.00 N ATOM 0 H ARG A 42 -5.952 -3.527 0.717 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.023 -3.335 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.034 -4.289 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.428 -4.324 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.463 -1.904 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.919 -1.766 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.848 -2.528 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.337 -3.040 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.956 -0.692 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.066 -1.228 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.226 0.310 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.158 1.273 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.948 1.703 -3.059 1.00 0.00 H new ATOM 525 N ASP A 43 -8.482 -5.933 2.918 1.00 0.00 N ATOM 526 CA ASP A 43 -8.439 -7.320 3.358 1.00 0.00 C ATOM 527 C ASP A 43 -8.964 -8.228 2.263 1.00 0.00 C ATOM 528 O ASP A 43 -9.221 -7.786 1.141 1.00 0.00 O ATOM 529 CB ASP A 43 -9.254 -7.523 4.644 1.00 0.00 C ATOM 530 CG ASP A 43 -10.731 -7.748 4.381 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.361 -6.902 3.723 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.253 -8.804 4.798 1.00 0.00 O ATOM 0 H ASP A 43 -9.387 -5.477 3.036 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.401 -7.574 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.854 -8.377 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.134 -6.650 5.285 1.00 0.00 H new ATOM 537 N THR A 44 -9.145 -9.489 2.605 1.00 0.00 N ATOM 538 CA THR A 44 -9.578 -10.498 1.657 1.00 0.00 C ATOM 539 C THR A 44 -10.999 -10.227 1.151 1.00 0.00 C ATOM 540 O THR A 44 -11.396 -10.731 0.098 1.00 0.00 O ATOM 541 CB THR A 44 -9.510 -11.887 2.312 1.00 0.00 C ATOM 542 OG1 THR A 44 -8.748 -11.803 3.528 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.846 -12.882 1.380 1.00 0.00 C ATOM 0 H THR A 44 -8.996 -9.844 3.550 1.00 0.00 H new ATOM 0 HA THR A 44 -8.908 -10.462 0.798 1.00 0.00 H new ATOM 0 HB THR A 44 -10.525 -12.223 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.705 -12.687 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.806 -13.860 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.420 -12.954 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.834 -12.548 1.153 1.00 0.00 H new ATOM 551 N GLU A 45 -11.754 -9.427 1.902 1.00 0.00 N ATOM 552 CA GLU A 45 -13.104 -9.049 1.510 1.00 0.00 C ATOM 553 C GLU A 45 -13.068 -7.756 0.699 1.00 0.00 C ATOM 554 O GLU A 45 -13.919 -7.516 -0.159 1.00 0.00 O ATOM 555 CB GLU A 45 -13.982 -8.868 2.754 1.00 0.00 C ATOM 556 CG GLU A 45 -15.451 -8.619 2.448 1.00 0.00 C ATOM 557 CD GLU A 45 -16.106 -9.781 1.729 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.647 -10.680 2.411 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.096 -9.798 0.480 1.00 0.00 O ATOM 0 H GLU A 45 -11.448 -9.028 2.790 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.529 -9.841 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.898 -9.758 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.597 -8.032 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.984 -8.427 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.543 -7.721 1.837 1.00 0.00 H new ATOM 566 N GLY A 46 -12.071 -6.928 0.968 1.00 0.00 N ATOM 567 CA GLY A 46 -11.940 -5.676 0.254 1.00 0.00 C ATOM 568 C GLY A 46 -12.134 -4.468 1.147 1.00 0.00 C ATOM 569 O GLY A 46 -12.269 -3.344 0.661 1.00 0.00 O ATOM 0 H GLY A 46 -11.350 -7.101 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.953 -5.627 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.671 -5.646 -0.554 1.00 0.00 H new ATOM 573 N ARG A 47 -12.141 -4.690 2.453 1.00 0.00 N ATOM 574 CA ARG A 47 -12.299 -3.609 3.404 1.00 0.00 C ATOM 575 C ARG A 47 -10.966 -2.897 3.595 1.00 0.00 C ATOM 576 O ARG A 47 -9.927 -3.547 3.692 1.00 0.00 O ATOM 577 CB ARG A 47 -12.783 -4.153 4.748 1.00 0.00 C ATOM 578 CG ARG A 47 -13.897 -5.181 4.642 1.00 0.00 C ATOM 579 CD ARG A 47 -14.386 -5.599 6.019 1.00 0.00 C ATOM 580 NE ARG A 47 -15.131 -6.855 5.983 1.00 0.00 N ATOM 581 CZ ARG A 47 -16.454 -6.948 6.112 1.00 0.00 C ATOM 582 NH1 ARG A 47 -17.198 -5.855 6.229 1.00 0.00 N ATOM 583 NH2 ARG A 47 -17.035 -8.141 6.111 1.00 0.00 N ATOM 0 H ARG A 47 -12.039 -5.613 2.875 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.038 -2.906 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.938 -4.602 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.130 -3.320 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.726 -4.766 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.539 -6.055 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.533 -5.704 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.020 -4.814 6.431 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.604 -7.718 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.758 -4.935 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.210 -5.935 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.469 -8.984 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.048 -8.215 6.210 1.00 0.00 H new ATOM 597 N MET A 48 -10.988 -1.574 3.646 1.00 0.00 N ATOM 598 CA MET A 48 -9.765 -0.804 3.823 1.00 0.00 C ATOM 599 C MET A 48 -9.306 -0.854 5.273 1.00 0.00 C ATOM 600 O MET A 48 -9.791 -0.108 6.127 1.00 0.00 O ATOM 601 CB MET A 48 -9.940 0.649 3.360 1.00 0.00 C ATOM 602 CG MET A 48 -11.172 1.357 3.910 1.00 0.00 C ATOM 603 SD MET A 48 -12.722 0.756 3.198 1.00 0.00 S ATOM 604 CE MET A 48 -12.523 1.241 1.487 1.00 0.00 C ATOM 0 H MET A 48 -11.836 -1.012 3.568 1.00 0.00 H new ATOM 0 HA MET A 48 -8.996 -1.258 3.198 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.055 1.216 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.987 0.664 2.271 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.203 1.228 4.992 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.083 2.426 3.719 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.501 1.305 1.011 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.031 2.213 1.439 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.915 0.501 0.967 1.00 0.00 H new ATOM 614 N VAL A 49 -8.380 -1.755 5.551 1.00 0.00 N ATOM 615 CA VAL A 49 -7.885 -1.946 6.904 1.00 0.00 C ATOM 616 C VAL A 49 -6.792 -0.935 7.220 1.00 0.00 C ATOM 617 O VAL A 49 -6.640 -0.501 8.360 1.00 0.00 O ATOM 618 CB VAL A 49 -7.327 -3.373 7.099 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.044 -3.651 8.572 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.286 -4.408 6.525 1.00 0.00 C ATOM 0 H VAL A 49 -7.954 -2.368 4.856 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.725 -1.800 7.583 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.384 -3.446 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.652 -4.662 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.311 -2.935 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.967 -3.555 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.875 -5.407 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.248 -4.333 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.423 -4.226 5.459 1.00 0.00 H new ATOM 630 N TRP A 50 -6.045 -0.548 6.195 1.00 0.00 N ATOM 631 CA TRP A 50 -4.939 0.379 6.367 1.00 0.00 C ATOM 632 C TRP A 50 -4.734 1.198 5.097 1.00 0.00 C ATOM 633 O TRP A 50 -5.176 0.801 4.022 1.00 0.00 O ATOM 634 CB TRP A 50 -3.655 -0.380 6.733 1.00 0.00 C ATOM 635 CG TRP A 50 -2.454 0.506 6.885 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.382 0.579 6.046 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.213 1.463 7.924 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.491 1.518 6.500 1.00 0.00 N ATOM 639 CE2 TRP A 50 -0.977 2.073 7.652 1.00 0.00 C ATOM 640 CE3 TRP A 50 -2.924 1.864 9.056 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.434 3.060 8.473 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.386 2.842 9.871 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.152 3.433 9.575 1.00 0.00 C ATOM 0 H TRP A 50 -6.186 -0.863 5.235 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.179 1.060 7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.817 -0.921 7.665 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.451 -1.124 5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.253 -0.016 5.154 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.392 1.763 6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.879 1.417 9.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.520 3.514 8.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.927 3.156 10.752 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.760 4.198 10.229 1.00 0.00 H new ATOM 654 N ARG A 51 -4.078 2.341 5.233 1.00 0.00 N ATOM 655 CA ARG A 51 -3.782 3.208 4.104 1.00 0.00 C ATOM 656 C ARG A 51 -2.608 4.122 4.448 1.00 0.00 C ATOM 657 O ARG A 51 -2.582 4.731 5.518 1.00 0.00 O ATOM 658 CB ARG A 51 -5.019 4.034 3.738 1.00 0.00 C ATOM 659 CG ARG A 51 -5.550 4.865 4.896 1.00 0.00 C ATOM 660 CD ARG A 51 -6.907 5.477 4.594 1.00 0.00 C ATOM 661 NE ARG A 51 -7.217 6.561 5.527 1.00 0.00 N ATOM 662 CZ ARG A 51 -7.894 6.410 6.667 1.00 0.00 C ATOM 663 NH1 ARG A 51 -8.380 5.223 7.013 1.00 0.00 N ATOM 664 NH2 ARG A 51 -8.093 7.455 7.458 1.00 0.00 N ATOM 0 H ARG A 51 -3.737 2.692 6.128 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.509 2.597 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.773 4.696 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.805 3.364 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.627 4.238 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.839 5.659 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.918 5.858 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.678 4.709 4.656 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.893 7.498 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.237 4.416 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.896 5.118 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.729 8.371 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.610 7.343 8.330 1.00 0.00 H new ATOM 678 N ALA A 52 -1.633 4.201 3.559 1.00 0.00 N ATOM 679 CA ALA A 52 -0.465 5.044 3.781 1.00 0.00 C ATOM 680 C ALA A 52 -0.046 5.721 2.489 1.00 0.00 C ATOM 681 O ALA A 52 -0.102 5.114 1.419 1.00 0.00 O ATOM 682 CB ALA A 52 0.683 4.219 4.351 1.00 0.00 C ATOM 0 H ALA A 52 -1.625 3.692 2.675 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.726 5.817 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.548 4.862 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.378 3.778 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.945 3.427 3.650 1.00 0.00 H new ATOM 688 N TRP A 53 0.360 6.980 2.583 1.00 0.00 N ATOM 689 CA TRP A 53 0.767 7.734 1.417 1.00 0.00 C ATOM 690 C TRP A 53 2.155 7.335 0.980 1.00 0.00 C ATOM 691 O TRP A 53 2.777 6.440 1.543 1.00 0.00 O ATOM 692 CB TRP A 53 0.780 9.231 1.697 1.00 0.00 C ATOM 693 CG TRP A 53 -0.512 9.784 2.124 1.00 0.00 C ATOM 694 CD1 TRP A 53 -0.991 9.750 3.369 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.471 10.476 1.323 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.205 10.368 3.422 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.527 10.829 2.175 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.543 10.828 -0.028 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.648 11.524 1.725 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.653 11.517 -0.475 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.693 11.859 0.398 1.00 0.00 C ATOM 0 H TRP A 53 0.414 7.497 3.460 1.00 0.00 H new ATOM 0 HA TRP A 53 0.042 7.513 0.633 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.521 9.437 2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.104 9.753 0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.490 9.298 4.212 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.781 10.470 4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.746 10.566 -0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.451 11.788 2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.720 11.797 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.548 12.398 0.017 1.00 0.00 H new ATOM 712 N ASN A 54 2.642 8.062 0.008 1.00 0.00 N ATOM 713 CA ASN A 54 3.956 7.804 -0.566 1.00 0.00 C ATOM 714 C ASN A 54 4.999 8.674 0.120 1.00 0.00 C ATOM 715 O ASN A 54 6.174 8.320 0.201 1.00 0.00 O ATOM 716 CB ASN A 54 3.945 8.090 -2.073 1.00 0.00 C ATOM 717 CG ASN A 54 5.203 7.613 -2.779 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.269 6.485 -3.259 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.208 8.469 -2.857 1.00 0.00 N ATOM 0 H ASN A 54 2.148 8.849 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 54 4.207 6.755 -0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.078 7.606 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.830 9.162 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.072 8.200 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.119 9.399 -2.447 1.00 0.00 H new ATOM 726 N PHE A 55 4.550 9.808 0.643 1.00 0.00 N ATOM 727 CA PHE A 55 5.451 10.796 1.216 1.00 0.00 C ATOM 728 C PHE A 55 5.528 10.679 2.735 1.00 0.00 C ATOM 729 O PHE A 55 6.162 11.502 3.394 1.00 0.00 O ATOM 730 CB PHE A 55 5.023 12.215 0.809 1.00 0.00 C ATOM 731 CG PHE A 55 3.583 12.543 1.104 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.189 12.918 2.380 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.622 12.483 0.103 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.871 13.225 2.653 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.303 12.788 0.373 1.00 0.00 C ATOM 736 CZ PHE A 55 0.927 13.160 1.649 1.00 0.00 C ATOM 0 H PHE A 55 3.564 10.065 0.681 1.00 0.00 H new ATOM 0 HA PHE A 55 6.447 10.599 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.659 12.934 1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.200 12.342 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.923 12.971 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.910 12.195 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.579 13.516 3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.565 12.736 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.105 13.400 1.860 1.00 0.00 H new ATOM 746 N GLU A 56 4.895 9.656 3.293 1.00 0.00 N ATOM 747 CA GLU A 56 4.939 9.448 4.733 1.00 0.00 C ATOM 748 C GLU A 56 6.286 8.860 5.139 1.00 0.00 C ATOM 749 O GLU A 56 6.738 7.875 4.552 1.00 0.00 O ATOM 750 CB GLU A 56 3.797 8.547 5.203 1.00 0.00 C ATOM 751 CG GLU A 56 2.430 9.198 5.082 1.00 0.00 C ATOM 752 CD GLU A 56 1.346 8.419 5.796 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.302 8.465 7.040 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.524 7.771 5.116 1.00 0.00 O ATOM 0 H GLU A 56 4.351 8.965 2.777 1.00 0.00 H new ATOM 0 HA GLU A 56 4.815 10.417 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.806 7.626 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.968 8.268 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.475 10.207 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.169 9.293 4.028 1.00 0.00 H new ATOM 761 N PRO A 57 6.939 9.461 6.149 1.00 0.00 N ATOM 762 CA PRO A 57 8.292 9.074 6.585 1.00 0.00 C ATOM 763 C PRO A 57 8.384 7.619 7.033 1.00 0.00 C ATOM 764 O PRO A 57 9.471 7.043 7.078 1.00 0.00 O ATOM 765 CB PRO A 57 8.575 10.001 7.770 1.00 0.00 C ATOM 766 CG PRO A 57 7.641 11.143 7.598 1.00 0.00 C ATOM 767 CD PRO A 57 6.410 10.578 6.953 1.00 0.00 C ATOM 0 HA PRO A 57 9.006 9.165 5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.405 9.492 8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.612 10.336 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.403 11.600 8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.085 11.920 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.688 10.235 7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.904 11.318 6.332 1.00 0.00 H new ATOM 775 N ASP A 58 7.243 7.034 7.368 1.00 0.00 N ATOM 776 CA ASP A 58 7.188 5.646 7.805 1.00 0.00 C ATOM 777 C ASP A 58 6.063 4.908 7.097 1.00 0.00 C ATOM 778 O ASP A 58 5.400 4.056 7.690 1.00 0.00 O ATOM 779 CB ASP A 58 6.987 5.559 9.321 1.00 0.00 C ATOM 780 CG ASP A 58 8.242 5.892 10.098 1.00 0.00 C ATOM 781 OD1 ASP A 58 9.153 5.039 10.160 1.00 0.00 O ATOM 782 OD2 ASP A 58 8.314 6.999 10.674 1.00 0.00 O ATOM 0 H ASP A 58 6.337 7.502 7.345 1.00 0.00 H new ATOM 0 HA ASP A 58 8.138 5.177 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.190 6.241 9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.659 4.553 9.583 1.00 0.00 H new ATOM 787 N ALA A 59 5.864 5.220 5.818 1.00 0.00 N ATOM 788 CA ALA A 59 4.802 4.599 5.034 1.00 0.00 C ATOM 789 C ALA A 59 4.910 3.077 5.069 1.00 0.00 C ATOM 790 O ALA A 59 3.939 2.379 5.375 1.00 0.00 O ATOM 791 CB ALA A 59 4.847 5.102 3.602 1.00 0.00 C ATOM 0 H ALA A 59 6.425 5.899 5.304 1.00 0.00 H new ATOM 0 HA ALA A 59 3.845 4.877 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.050 4.632 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.713 6.184 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.811 4.852 3.159 1.00 0.00 H new ATOM 797 N GLY A 60 6.106 2.575 4.786 1.00 0.00 N ATOM 798 CA GLY A 60 6.343 1.147 4.795 1.00 0.00 C ATOM 799 C GLY A 60 6.152 0.532 6.158 1.00 0.00 C ATOM 800 O GLY A 60 5.742 -0.619 6.262 1.00 0.00 O ATOM 0 H GLY A 60 6.922 3.139 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.668 0.667 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.358 0.950 4.451 1.00 0.00 H new ATOM 804 N GLU A 61 6.418 1.309 7.201 1.00 0.00 N ATOM 805 CA GLU A 61 6.297 0.825 8.568 1.00 0.00 C ATOM 806 C GLU A 61 4.863 0.397 8.854 1.00 0.00 C ATOM 807 O GLU A 61 4.627 -0.643 9.464 1.00 0.00 O ATOM 808 CB GLU A 61 6.728 1.919 9.547 1.00 0.00 C ATOM 809 CG GLU A 61 6.827 1.459 10.989 1.00 0.00 C ATOM 810 CD GLU A 61 7.841 0.351 11.177 1.00 0.00 C ATOM 811 OE1 GLU A 61 8.981 0.493 10.685 1.00 0.00 O ATOM 812 OE2 GLU A 61 7.504 -0.667 11.818 1.00 0.00 O ATOM 0 H GLU A 61 6.720 2.280 7.124 1.00 0.00 H new ATOM 0 HA GLU A 61 6.948 -0.040 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.697 2.309 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.018 2.744 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.099 2.306 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.849 1.113 11.324 1.00 0.00 H new ATOM 819 N GLY A 62 3.909 1.193 8.389 1.00 0.00 N ATOM 820 CA GLY A 62 2.512 0.867 8.596 1.00 0.00 C ATOM 821 C GLY A 62 2.036 -0.221 7.657 1.00 0.00 C ATOM 822 O GLY A 62 1.256 -1.095 8.042 1.00 0.00 O ATOM 0 H GLY A 62 4.077 2.057 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.364 0.546 9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.906 1.761 8.451 1.00 0.00 H new ATOM 826 N LEU A 63 2.504 -0.173 6.421 1.00 0.00 N ATOM 827 CA LEU A 63 2.132 -1.167 5.424 1.00 0.00 C ATOM 828 C LEU A 63 2.620 -2.549 5.845 1.00 0.00 C ATOM 829 O LEU A 63 1.839 -3.496 5.917 1.00 0.00 O ATOM 830 CB LEU A 63 2.709 -0.787 4.061 1.00 0.00 C ATOM 831 CG LEU A 63 2.232 0.561 3.509 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.981 0.916 2.242 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.741 0.534 3.238 1.00 0.00 C ATOM 0 H LEU A 63 3.144 0.545 6.082 1.00 0.00 H new ATOM 0 HA LEU A 63 1.045 -1.196 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.796 -0.768 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.453 -1.567 3.344 1.00 0.00 H new ATOM 0 HG LEU A 63 2.436 1.322 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.627 1.876 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.048 0.981 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.808 0.147 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.425 1.501 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.518 -0.243 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.206 0.325 4.165 1.00 0.00 H new ATOM 845 N ASN A 64 3.910 -2.646 6.152 1.00 0.00 N ATOM 846 CA ASN A 64 4.506 -3.902 6.604 1.00 0.00 C ATOM 847 C ASN A 64 3.869 -4.359 7.909 1.00 0.00 C ATOM 848 O ASN A 64 3.748 -5.556 8.166 1.00 0.00 O ATOM 849 CB ASN A 64 6.019 -3.752 6.796 1.00 0.00 C ATOM 850 CG ASN A 64 6.776 -3.591 5.490 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.381 -4.120 4.450 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.874 -2.855 5.540 1.00 0.00 N ATOM 0 H ASN A 64 4.566 -1.867 6.096 1.00 0.00 H new ATOM 0 HA ASN A 64 4.322 -4.652 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.214 -2.887 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.400 -4.626 7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.428 -2.708 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.166 -2.434 6.422 1.00 0.00 H new ATOM 859 N ARG A 65 3.464 -3.391 8.724 1.00 0.00 N ATOM 860 CA ARG A 65 2.784 -3.660 9.987 1.00 0.00 C ATOM 861 C ARG A 65 1.563 -4.548 9.763 1.00 0.00 C ATOM 862 O ARG A 65 1.358 -5.531 10.477 1.00 0.00 O ATOM 863 CB ARG A 65 2.364 -2.336 10.629 1.00 0.00 C ATOM 864 CG ARG A 65 1.710 -2.461 11.995 1.00 0.00 C ATOM 865 CD ARG A 65 2.668 -3.013 13.035 1.00 0.00 C ATOM 866 NE ARG A 65 2.274 -2.617 14.384 1.00 0.00 N ATOM 867 CZ ARG A 65 1.886 -3.462 15.340 1.00 0.00 C ATOM 868 NH1 ARG A 65 1.872 -4.772 15.120 1.00 0.00 N ATOM 869 NH2 ARG A 65 1.522 -2.991 16.526 1.00 0.00 N ATOM 0 H ARG A 65 3.597 -2.399 8.529 1.00 0.00 H new ATOM 0 HA ARG A 65 3.468 -4.186 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.244 -1.700 10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.672 -1.828 9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.351 -1.483 12.316 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.839 -3.113 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.695 -4.101 12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.677 -2.655 12.829 1.00 0.00 H new ATOM 0 HE ARG A 65 2.297 -1.623 14.611 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.160 -5.140 14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.574 -5.410 15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.540 -1.987 16.703 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.224 -3.633 17.260 1.00 0.00 H new ATOM 883 N TYR A 66 0.758 -4.206 8.762 1.00 0.00 N ATOM 884 CA TYR A 66 -0.415 -5.007 8.433 1.00 0.00 C ATOM 885 C TYR A 66 -0.014 -6.297 7.719 1.00 0.00 C ATOM 886 O TYR A 66 -0.527 -7.372 8.037 1.00 0.00 O ATOM 887 CB TYR A 66 -1.403 -4.217 7.570 1.00 0.00 C ATOM 888 CG TYR A 66 -2.605 -5.033 7.141 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.622 -5.337 8.039 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.720 -5.506 5.841 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.717 -6.088 7.650 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.812 -6.255 5.445 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.807 -6.542 6.352 1.00 0.00 C ATOM 894 OH TYR A 66 -5.895 -7.290 5.960 1.00 0.00 O ATOM 0 H TYR A 66 0.895 -3.387 8.169 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.906 -5.265 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.744 -3.344 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.887 -3.848 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.556 -4.981 9.057 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.942 -5.285 5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.498 -6.317 8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.884 -6.613 4.429 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.606 -7.208 6.629 1.00 0.00 H new ATOM 904 N ILE A 67 0.906 -6.186 6.763 1.00 0.00 N ATOM 905 CA ILE A 67 1.368 -7.340 5.986 1.00 0.00 C ATOM 906 C ILE A 67 1.822 -8.472 6.902 1.00 0.00 C ATOM 907 O ILE A 67 1.466 -9.635 6.696 1.00 0.00 O ATOM 908 CB ILE A 67 2.544 -6.961 5.057 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.126 -5.875 4.062 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.049 -8.189 4.318 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.279 -5.315 3.248 1.00 0.00 C ATOM 0 H ILE A 67 1.350 -5.305 6.505 1.00 0.00 H new ATOM 0 HA ILE A 67 0.522 -7.670 5.383 1.00 0.00 H new ATOM 0 HB ILE A 67 3.351 -6.565 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.379 -6.286 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.648 -5.061 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.877 -7.907 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.390 -8.932 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.242 -8.609 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.906 -4.551 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.017 -4.874 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.743 -6.118 2.675 1.00 0.00 H new ATOM 923 N ARG A 68 2.580 -8.107 7.924 1.00 0.00 N ATOM 924 CA ARG A 68 3.161 -9.057 8.864 1.00 0.00 C ATOM 925 C ARG A 68 2.098 -9.902 9.573 1.00 0.00 C ATOM 926 O ARG A 68 2.379 -11.014 10.025 1.00 0.00 O ATOM 927 CB ARG A 68 4.006 -8.291 9.886 1.00 0.00 C ATOM 928 CG ARG A 68 4.521 -9.134 11.038 1.00 0.00 C ATOM 929 CD ARG A 68 5.441 -8.328 11.937 1.00 0.00 C ATOM 930 NE ARG A 68 5.803 -9.052 13.150 1.00 0.00 N ATOM 931 CZ ARG A 68 7.033 -9.091 13.654 1.00 0.00 C ATOM 932 NH1 ARG A 68 8.031 -8.488 13.023 1.00 0.00 N ATOM 933 NH2 ARG A 68 7.269 -9.738 14.785 1.00 0.00 N ATOM 0 H ARG A 68 2.812 -7.135 8.127 1.00 0.00 H new ATOM 0 HA ARG A 68 3.786 -9.751 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.856 -7.843 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.410 -7.472 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.680 -9.513 11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.056 -10.000 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.346 -8.068 11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.953 -7.392 12.207 1.00 0.00 H new ATOM 0 HE ARG A 68 5.068 -9.560 13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.856 -7.993 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.973 -8.520 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.506 -10.208 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.214 -9.766 15.169 1.00 0.00 H new ATOM 947 N THR A 69 0.880 -9.392 9.660 1.00 0.00 N ATOM 948 CA THR A 69 -0.162 -10.089 10.395 1.00 0.00 C ATOM 949 C THR A 69 -1.331 -10.480 9.483 1.00 0.00 C ATOM 950 O THR A 69 -2.446 -10.741 9.943 1.00 0.00 O ATOM 951 CB THR A 69 -0.649 -9.233 11.594 1.00 0.00 C ATOM 952 OG1 THR A 69 -1.466 -10.012 12.478 1.00 0.00 O ATOM 953 CG2 THR A 69 -1.422 -8.007 11.125 1.00 0.00 C ATOM 0 H THR A 69 0.591 -8.510 9.237 1.00 0.00 H new ATOM 0 HA THR A 69 0.265 -11.013 10.785 1.00 0.00 H new ATOM 0 HB THR A 69 0.237 -8.896 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.151 -10.483 11.960 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.748 -7.430 11.990 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.779 -7.389 10.498 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.293 -8.324 10.551 1.00 0.00 H new ATOM 961 N SER A 70 -1.060 -10.565 8.189 1.00 0.00 N ATOM 962 CA SER A 70 -2.085 -10.950 7.229 1.00 0.00 C ATOM 963 C SER A 70 -1.498 -11.783 6.094 1.00 0.00 C ATOM 964 O SER A 70 -1.936 -12.910 5.847 1.00 0.00 O ATOM 965 CB SER A 70 -2.768 -9.700 6.678 1.00 0.00 C ATOM 966 OG SER A 70 -1.807 -8.777 6.193 1.00 0.00 O ATOM 0 H SER A 70 -0.145 -10.374 7.781 1.00 0.00 H new ATOM 0 HA SER A 70 -2.823 -11.567 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.451 -9.977 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.367 -9.232 7.459 1.00 0.00 H new ATOM 0 HG SER A 70 -1.404 -8.298 6.947 1.00 0.00 H new ATOM 972 N GLY A 71 -0.487 -11.219 5.438 1.00 0.00 N ATOM 973 CA GLY A 71 0.146 -11.855 4.287 1.00 0.00 C ATOM 974 C GLY A 71 -0.850 -12.434 3.296 1.00 0.00 C ATOM 975 O GLY A 71 -1.053 -13.646 3.257 1.00 0.00 O ATOM 0 H GLY A 71 -0.086 -10.315 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.773 -11.124 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.804 -12.650 4.637 1.00 0.00 H new ATOM 979 N ILE A 72 -1.454 -11.580 2.470 1.00 0.00 N ATOM 980 CA ILE A 72 -2.519 -12.026 1.569 1.00 0.00 C ATOM 981 C ILE A 72 -1.967 -12.870 0.416 1.00 0.00 C ATOM 982 O ILE A 72 -2.690 -13.661 -0.192 1.00 0.00 O ATOM 983 CB ILE A 72 -3.342 -10.815 1.037 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.489 -10.483 2.001 1.00 0.00 C ATOM 985 CG2 ILE A 72 -3.897 -11.059 -0.363 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.038 -10.073 3.386 1.00 0.00 C ATOM 0 H ILE A 72 -1.229 -10.587 2.405 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.191 -12.663 2.144 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.658 -9.969 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.087 -9.678 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.140 -11.353 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.462 -10.185 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.074 -11.236 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.552 -11.930 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.910 -9.856 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.467 -10.884 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.412 -9.183 3.316 1.00 0.00 H new ATOM 998 N ARG A 73 -0.673 -12.740 0.153 1.00 0.00 N ATOM 999 CA ARG A 73 -0.057 -13.424 -0.978 1.00 0.00 C ATOM 1000 C ARG A 73 -0.114 -14.928 -0.808 1.00 0.00 C ATOM 1001 O ARG A 73 -0.533 -15.657 -1.707 1.00 0.00 O ATOM 1002 CB ARG A 73 1.394 -13.020 -1.133 1.00 0.00 C ATOM 1003 CG ARG A 73 2.102 -13.826 -2.201 1.00 0.00 C ATOM 1004 CD ARG A 73 3.522 -13.356 -2.430 1.00 0.00 C ATOM 1005 NE ARG A 73 4.188 -14.134 -3.470 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.505 -14.132 -3.677 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.306 -13.436 -2.880 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.027 -14.836 -4.672 1.00 0.00 N ATOM 0 H ARG A 73 -0.032 -12.170 0.704 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.620 -13.134 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.449 -11.961 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.909 -13.150 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.112 -14.877 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.544 -13.757 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.516 -12.303 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.085 -13.434 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 73 3.610 -14.716 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.915 -12.900 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.313 -13.437 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.420 -15.382 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.035 -14.831 -4.826 1.00 0.00 H new ATOM 1022 N THR A 74 0.306 -15.384 0.360 1.00 0.00 N ATOM 1023 CA THR A 74 0.337 -16.797 0.668 1.00 0.00 C ATOM 1024 C THR A 74 -1.060 -17.254 1.072 1.00 0.00 C ATOM 1025 O THR A 74 -1.241 -18.327 1.653 1.00 0.00 O ATOM 1026 CB THR A 74 1.361 -17.091 1.795 1.00 0.00 C ATOM 1027 OG1 THR A 74 1.506 -18.501 1.991 1.00 0.00 O ATOM 1028 CG2 THR A 74 0.947 -16.429 3.104 1.00 0.00 C ATOM 0 H THR A 74 0.634 -14.784 1.117 1.00 0.00 H new ATOM 0 HA THR A 74 0.652 -17.351 -0.216 1.00 0.00 H new ATOM 0 HB THR A 74 2.319 -16.674 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.628 -18.932 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.685 -16.654 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.887 -15.350 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.027 -16.810 3.412 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.039 -16.417 0.716 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.445 -16.637 1.029 1.00 0.00 C ATOM 1038 C ASP A 75 -3.733 -16.476 2.515 1.00 0.00 C ATOM 1039 O ASP A 75 -2.970 -16.909 3.379 1.00 0.00 O ATOM 1040 CB ASP A 75 -3.909 -17.999 0.532 1.00 0.00 C ATOM 1041 CG ASP A 75 -5.324 -18.334 0.967 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -6.258 -17.586 0.609 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -5.515 -19.349 1.661 1.00 0.00 O ATOM 0 H ASP A 75 -1.870 -15.557 0.195 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.013 -15.868 0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.854 -18.022 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.229 -18.766 0.902 1.00 0.00 H new TER 1048 ASP A 75