USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.76 USER MOD Single : A 27 ASN : amide:sc= -1.99 K(o=-2,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-5.9!) USER MOD Single : A 36 TYR OH : rot 165:sc= -0.893 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 48 SER OG : rot 9:sc= 1.23 USER MOD Single : A 53 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.72) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.81! C(o=-5.8!,f=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -6.93! C(o=-6.9!,f=-5.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.435 K(o=-0.43,f=-9.9!) USER MOD Single : A 77 THR OG1 : rot -12:sc= -3.6! USER MOD Single : A 80 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.4) USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.257 USER MOD Single : A 83 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.7!) USER MOD Single : A 86 HIS : no HD1:sc= -1.91! X(o=-1.9!,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.395 -2.204 -5.676 1.00 15.00 N ATOM 73 CA ILE A 6 -9.948 -2.157 -5.724 1.00 15.00 C ATOM 74 C ILE A 6 -9.470 -0.886 -6.420 1.00 15.00 C ATOM 75 O ILE A 6 -10.153 -0.347 -7.292 1.00 15.00 O ATOM 76 CB ILE A 6 -9.407 -3.405 -6.452 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.861 -4.415 -5.441 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.331 -3.039 -7.473 1.00 15.00 C ATOM 79 CD1 ILE A 6 -9.937 -5.077 -4.608 1.00 15.00 C ATOM 0 HA ILE A 6 -9.566 -2.147 -4.703 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.237 -3.858 -6.994 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.301 -5.183 -5.973 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.159 -3.910 -4.778 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.974 -3.944 -7.965 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.751 -2.362 -8.217 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.499 -2.550 -6.966 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.478 -5.780 -3.913 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.482 -4.317 -4.048 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.627 -5.611 -5.262 1.00 15.00 H new ATOM 91 N PHE A 7 -8.291 -0.420 -6.034 1.00 15.00 N ATOM 92 CA PHE A 7 -7.712 0.778 -6.624 1.00 15.00 C ATOM 93 C PHE A 7 -6.196 0.663 -6.672 1.00 15.00 C ATOM 94 O PHE A 7 -5.606 -0.124 -5.936 1.00 15.00 O ATOM 95 CB PHE A 7 -8.136 2.028 -5.845 1.00 15.00 C ATOM 96 CG PHE A 7 -7.390 2.241 -4.555 1.00 15.00 C ATOM 97 CD1 PHE A 7 -7.240 1.210 -3.641 1.00 15.00 C ATOM 98 CD2 PHE A 7 -6.852 3.481 -4.254 1.00 15.00 C ATOM 99 CE1 PHE A 7 -6.567 1.413 -2.453 1.00 15.00 C ATOM 100 CE2 PHE A 7 -6.176 3.689 -3.068 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.034 2.654 -2.167 1.00 15.00 C ATOM 0 H PHE A 7 -7.715 -0.855 -5.313 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.085 0.874 -7.644 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -7.995 2.902 -6.481 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.202 1.961 -5.627 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -7.654 0.237 -3.861 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -6.962 4.295 -4.955 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -6.458 0.602 -1.748 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -5.759 4.660 -2.846 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.506 2.814 -1.239 1.00 15.00 H new ATOM 111 N GLU A 8 -5.571 1.433 -7.550 1.00 15.00 N ATOM 112 CA GLU A 8 -4.123 1.389 -7.698 1.00 15.00 C ATOM 113 C GLU A 8 -3.496 2.771 -7.572 1.00 15.00 C ATOM 114 O GLU A 8 -4.043 3.768 -8.044 1.00 15.00 O ATOM 115 CB GLU A 8 -3.763 0.787 -9.049 1.00 15.00 C ATOM 116 CG GLU A 8 -4.449 1.471 -10.214 1.00 15.00 C ATOM 117 CD GLU A 8 -5.402 0.555 -10.956 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.193 -0.676 -10.920 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.359 1.068 -11.573 1.00 15.00 O ATOM 0 H GLU A 8 -6.041 2.094 -8.169 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.727 0.769 -6.894 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.683 0.844 -9.188 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.029 -0.270 -9.050 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -4.998 2.339 -9.848 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.694 1.841 -10.908 1.00 15.00 H new ATOM 126 N VAL A 9 -2.329 2.803 -6.948 1.00 15.00 N ATOM 127 CA VAL A 9 -1.576 4.036 -6.761 1.00 15.00 C ATOM 128 C VAL A 9 -0.450 4.101 -7.784 1.00 15.00 C ATOM 129 O VAL A 9 0.456 3.269 -7.777 1.00 15.00 O ATOM 130 CB VAL A 9 -1.007 4.157 -5.319 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.043 2.815 -4.599 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.411 4.721 -5.321 1.00 15.00 C ATOM 0 H VAL A 9 -1.876 1.977 -6.557 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.256 4.875 -6.908 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.646 4.855 -4.779 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.639 2.931 -3.593 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.073 2.462 -4.538 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.443 2.090 -5.150 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.776 4.791 -4.296 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.064 4.063 -5.894 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.408 5.712 -5.774 1.00 15.00 H new ATOM 142 N GLU A 10 -0.529 5.073 -8.679 1.00 15.00 N ATOM 143 CA GLU A 10 0.470 5.218 -9.725 1.00 15.00 C ATOM 144 C GLU A 10 1.411 6.389 -9.464 1.00 15.00 C ATOM 145 O GLU A 10 1.344 7.415 -10.141 1.00 15.00 O ATOM 146 CB GLU A 10 -0.223 5.389 -11.071 1.00 15.00 C ATOM 147 CG GLU A 10 0.735 5.581 -12.236 1.00 15.00 C ATOM 148 CD GLU A 10 0.226 4.954 -13.519 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.530 5.628 -14.250 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.584 3.789 -13.793 1.00 15.00 O ATOM 0 H GLU A 10 -1.272 5.771 -8.702 1.00 15.00 H new ATOM 0 HA GLU A 10 1.078 4.314 -9.733 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.843 4.513 -11.263 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.892 6.248 -11.018 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.897 6.647 -12.396 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.702 5.146 -11.982 1.00 15.00 H new ATOM 157 N LEU A 11 2.303 6.219 -8.497 1.00 15.00 N ATOM 158 CA LEU A 11 3.277 7.253 -8.169 1.00 15.00 C ATOM 159 C LEU A 11 4.523 7.077 -9.029 1.00 15.00 C ATOM 160 O LEU A 11 4.701 6.037 -9.659 1.00 15.00 O ATOM 161 CB LEU A 11 3.647 7.198 -6.685 1.00 15.00 C ATOM 162 CG LEU A 11 3.828 8.560 -6.007 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.526 9.349 -6.016 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.332 8.382 -4.583 1.00 15.00 C ATOM 0 H LEU A 11 2.373 5.376 -7.926 1.00 15.00 H new ATOM 0 HA LEU A 11 2.834 8.228 -8.373 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.872 6.646 -6.154 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.572 6.631 -6.578 1.00 15.00 H new ATOM 0 HG LEU A 11 4.571 9.124 -6.571 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.681 10.312 -5.529 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.205 9.510 -7.045 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.758 8.791 -5.480 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.455 9.359 -4.116 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.612 7.795 -4.013 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.291 7.864 -4.599 1.00 15.00 H new ATOM 176 N ALA A 12 5.383 8.087 -9.062 1.00 15.00 N ATOM 177 CA ALA A 12 6.603 8.009 -9.859 1.00 15.00 C ATOM 178 C ALA A 12 7.786 7.553 -9.015 1.00 15.00 C ATOM 179 O ALA A 12 8.452 8.360 -8.367 1.00 15.00 O ATOM 180 CB ALA A 12 6.904 9.347 -10.512 1.00 15.00 C ATOM 0 H ALA A 12 5.262 8.962 -8.552 1.00 15.00 H new ATOM 0 HA ALA A 12 6.441 7.268 -10.642 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.817 9.267 -11.101 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.076 9.629 -11.162 1.00 15.00 H new ATOM 0 HB3 ALA A 12 7.035 10.107 -9.741 1.00 15.00 H new ATOM 186 N LYS A 13 8.040 6.250 -9.032 1.00 15.00 N ATOM 187 CA LYS A 13 9.141 5.669 -8.275 1.00 15.00 C ATOM 188 C LYS A 13 10.475 6.305 -8.667 1.00 15.00 C ATOM 189 O LYS A 13 11.412 6.350 -7.870 1.00 15.00 O ATOM 190 CB LYS A 13 9.188 4.157 -8.506 1.00 15.00 C ATOM 191 CG LYS A 13 9.692 3.371 -7.309 1.00 15.00 C ATOM 192 CD LYS A 13 11.082 3.817 -6.896 1.00 15.00 C ATOM 193 CE LYS A 13 11.030 4.757 -5.703 1.00 15.00 C ATOM 194 NZ LYS A 13 12.392 5.152 -5.247 1.00 15.00 N ATOM 0 H LYS A 13 7.495 5.573 -9.565 1.00 15.00 H new ATOM 0 HA LYS A 13 8.973 5.867 -7.216 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.189 3.807 -8.764 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.830 3.949 -9.362 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.004 3.499 -6.473 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.707 2.308 -7.550 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.687 2.945 -6.648 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.570 4.316 -7.733 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.463 5.649 -5.968 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.499 4.274 -4.883 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.313 5.793 -4.432 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.925 4.303 -4.969 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.890 5.636 -6.021 1.00 15.00 H new ATOM 259 N LEU A 18 8.651 6.905 -1.752 1.00 15.00 N ATOM 260 CA LEU A 18 7.419 7.033 -0.992 1.00 15.00 C ATOM 261 C LEU A 18 7.683 7.685 0.360 1.00 15.00 C ATOM 262 O LEU A 18 8.793 8.138 0.638 1.00 15.00 O ATOM 263 CB LEU A 18 6.751 5.666 -0.801 1.00 15.00 C ATOM 264 CG LEU A 18 6.469 4.895 -2.093 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.709 5.767 -3.081 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.766 4.396 -2.710 1.00 15.00 C ATOM 0 HA LEU A 18 6.741 7.672 -1.558 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.388 5.054 -0.162 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.810 5.810 -0.269 1.00 15.00 H new ATOM 0 HG LEU A 18 5.849 4.032 -1.850 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.518 5.202 -3.993 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.761 6.075 -2.640 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.303 6.650 -3.319 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.546 3.850 -3.628 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.411 5.245 -2.938 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.273 3.735 -2.007 1.00 15.00 H new ATOM 278 N GLY A 19 6.653 7.732 1.194 1.00 15.00 N ATOM 279 CA GLY A 19 6.784 8.333 2.506 1.00 15.00 C ATOM 280 C GLY A 19 5.689 7.887 3.441 1.00 15.00 C ATOM 281 O GLY A 19 5.114 8.693 4.166 1.00 15.00 O ATOM 0 H GLY A 19 5.726 7.363 0.984 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.753 8.070 2.930 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.761 9.419 2.412 1.00 15.00 H new ATOM 285 N ILE A 20 5.388 6.599 3.404 1.00 15.00 N ATOM 286 CA ILE A 20 4.346 6.033 4.242 1.00 15.00 C ATOM 287 C ILE A 20 4.917 5.085 5.292 1.00 15.00 C ATOM 288 O ILE A 20 5.817 4.295 5.008 1.00 15.00 O ATOM 289 CB ILE A 20 3.299 5.288 3.383 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.911 5.871 3.629 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.308 3.799 3.684 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.781 4.898 3.387 1.00 15.00 C ATOM 0 H ILE A 20 5.854 5.923 2.799 1.00 15.00 H new ATOM 0 HA ILE A 20 3.864 6.863 4.759 1.00 15.00 H new ATOM 0 HB ILE A 20 3.559 5.421 2.333 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.855 6.227 4.658 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.774 6.739 2.984 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.562 3.298 3.066 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.294 3.390 3.465 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.074 3.639 4.736 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.171 5.390 3.584 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.807 4.560 2.351 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.891 4.041 4.051 1.00 15.00 H new ATOM 304 N SER A 21 4.349 5.135 6.488 1.00 15.00 N ATOM 305 CA SER A 21 4.756 4.246 7.563 1.00 15.00 C ATOM 306 C SER A 21 3.796 3.061 7.574 1.00 15.00 C ATOM 307 O SER A 21 2.643 3.191 7.984 1.00 15.00 O ATOM 308 CB SER A 21 4.747 4.980 8.907 1.00 15.00 C ATOM 309 OG SER A 21 5.098 4.109 9.968 1.00 15.00 O ATOM 0 H SER A 21 3.603 5.784 6.738 1.00 15.00 H new ATOM 0 HA SER A 21 5.776 3.896 7.401 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.446 5.816 8.873 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.757 5.399 9.089 1.00 15.00 H new ATOM 0 HG SER A 21 5.086 4.603 10.814 1.00 15.00 H new ATOM 315 N VAL A 22 4.254 1.924 7.060 1.00 15.00 N ATOM 316 CA VAL A 22 3.403 0.745 6.952 1.00 15.00 C ATOM 317 C VAL A 22 3.523 -0.197 8.143 1.00 15.00 C ATOM 318 O VAL A 22 4.539 -0.230 8.837 1.00 15.00 O ATOM 319 CB VAL A 22 3.720 -0.045 5.667 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.531 0.828 4.439 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.136 -0.599 5.710 1.00 15.00 C ATOM 0 H VAL A 22 5.205 1.794 6.713 1.00 15.00 H new ATOM 0 HA VAL A 22 2.381 1.124 6.926 1.00 15.00 H new ATOM 0 HB VAL A 22 3.025 -0.882 5.605 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.760 0.251 3.543 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.498 1.174 4.394 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.199 1.687 4.497 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.338 -1.153 4.793 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.846 0.223 5.801 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.240 -1.265 6.567 1.00 15.00 H new ATOM 331 N THR A 23 2.461 -0.969 8.353 1.00 15.00 N ATOM 332 CA THR A 23 2.398 -1.938 9.437 1.00 15.00 C ATOM 333 C THR A 23 1.523 -3.126 9.033 1.00 15.00 C ATOM 334 O THR A 23 1.007 -3.177 7.913 1.00 15.00 O ATOM 335 CB THR A 23 1.843 -1.282 10.703 1.00 15.00 C ATOM 336 OG1 THR A 23 1.802 0.126 10.562 1.00 15.00 O ATOM 337 CG2 THR A 23 2.651 -1.591 11.942 1.00 15.00 C ATOM 0 H THR A 23 1.621 -0.939 7.775 1.00 15.00 H new ATOM 0 HA THR A 23 3.406 -2.298 9.642 1.00 15.00 H new ATOM 0 HB THR A 23 0.843 -1.698 10.826 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.917 0.546 11.440 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.202 -1.095 12.802 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.663 -2.668 12.110 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.672 -1.234 11.809 1.00 15.00 H new ATOM 345 N GLY A 24 1.352 -4.076 9.948 1.00 15.00 N ATOM 346 CA GLY A 24 0.533 -5.239 9.658 1.00 15.00 C ATOM 347 C GLY A 24 1.208 -6.200 8.702 1.00 15.00 C ATOM 348 O GLY A 24 2.293 -6.706 8.983 1.00 15.00 O ATOM 0 H GLY A 24 1.764 -4.061 10.881 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.303 -5.759 10.588 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.416 -4.914 9.232 1.00 15.00 H new ATOM 352 N GLY A 25 0.566 -6.445 7.563 1.00 15.00 N ATOM 353 CA GLY A 25 1.127 -7.339 6.568 1.00 15.00 C ATOM 354 C GLY A 25 1.165 -8.789 7.010 1.00 15.00 C ATOM 355 O GLY A 25 0.524 -9.643 6.399 1.00 15.00 O ATOM 0 H GLY A 25 -0.335 -6.038 7.312 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.542 -7.262 5.651 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.139 -7.014 6.329 1.00 15.00 H new ATOM 359 N VAL A 26 1.938 -9.069 8.060 1.00 15.00 N ATOM 360 CA VAL A 26 2.088 -10.430 8.588 1.00 15.00 C ATOM 361 C VAL A 26 0.818 -11.259 8.417 1.00 15.00 C ATOM 362 O VAL A 26 -0.294 -10.732 8.472 1.00 15.00 O ATOM 363 CB VAL A 26 2.473 -10.414 10.078 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.969 -10.192 10.243 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.684 -9.348 10.817 1.00 15.00 C ATOM 0 H VAL A 26 2.475 -8.366 8.567 1.00 15.00 H new ATOM 0 HA VAL A 26 2.887 -10.891 8.008 1.00 15.00 H new ATOM 0 HB VAL A 26 2.226 -11.384 10.510 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.221 -10.184 11.303 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.513 -10.996 9.747 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.246 -9.237 9.797 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.968 -9.349 11.869 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.899 -8.371 10.385 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.618 -9.557 10.728 1.00 15.00 H new ATOM 375 N ASN A 27 0.996 -12.558 8.205 1.00 15.00 N ATOM 376 CA ASN A 27 -0.128 -13.468 8.018 1.00 15.00 C ATOM 377 C ASN A 27 -0.756 -13.852 9.356 1.00 15.00 C ATOM 378 O ASN A 27 -0.834 -15.032 9.699 1.00 15.00 O ATOM 379 CB ASN A 27 0.334 -14.727 7.281 1.00 15.00 C ATOM 380 CG ASN A 27 1.082 -14.407 6.002 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.067 -13.271 5.528 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.741 -15.411 5.435 1.00 15.00 N ATOM 0 H ASN A 27 1.911 -13.006 8.158 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.882 -12.955 7.422 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.977 -15.314 7.937 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.532 -15.346 7.047 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.262 -15.256 4.572 1.00 15.00 H new ATOM 0 HD22 ASN A 27 1.726 -16.337 5.863 1.00 15.00 H new ATOM 389 N THR A 28 -1.203 -12.852 10.110 1.00 15.00 N ATOM 390 CA THR A 28 -1.823 -13.098 11.408 1.00 15.00 C ATOM 391 C THR A 28 -2.829 -12.005 11.756 1.00 15.00 C ATOM 392 O THR A 28 -4.018 -12.274 11.931 1.00 15.00 O ATOM 393 CB THR A 28 -0.753 -13.186 12.497 1.00 15.00 C ATOM 394 OG1 THR A 28 0.445 -13.735 11.978 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.171 -14.033 13.680 1.00 15.00 C ATOM 0 H THR A 28 -1.148 -11.868 9.846 1.00 15.00 H new ATOM 0 HA THR A 28 -2.356 -14.047 11.350 1.00 15.00 H new ATOM 0 HB THR A 28 -0.603 -12.162 12.839 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.118 -13.782 12.689 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.367 -14.053 14.415 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.066 -13.608 14.134 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.381 -15.048 13.344 1.00 15.00 H new ATOM 403 N SER A 29 -2.343 -10.773 11.863 1.00 15.00 N ATOM 404 CA SER A 29 -3.198 -9.639 12.199 1.00 15.00 C ATOM 405 C SER A 29 -4.111 -9.268 11.035 1.00 15.00 C ATOM 406 O SER A 29 -5.252 -8.852 11.238 1.00 15.00 O ATOM 407 CB SER A 29 -2.344 -8.432 12.593 1.00 15.00 C ATOM 408 OG SER A 29 -2.118 -8.401 13.991 1.00 15.00 O ATOM 0 H SER A 29 -1.362 -10.534 11.722 1.00 15.00 H new ATOM 0 HA SER A 29 -3.823 -9.931 13.043 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.390 -8.471 12.068 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.842 -7.514 12.282 1.00 15.00 H new ATOM 0 HG SER A 29 -1.569 -7.621 14.216 1.00 15.00 H new ATOM 414 N VAL A 30 -3.602 -9.412 9.816 1.00 15.00 N ATOM 415 CA VAL A 30 -4.375 -9.082 8.624 1.00 15.00 C ATOM 416 C VAL A 30 -5.262 -10.247 8.194 1.00 15.00 C ATOM 417 O VAL A 30 -5.362 -11.257 8.892 1.00 15.00 O ATOM 418 CB VAL A 30 -3.457 -8.678 7.454 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.587 -7.494 7.847 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.599 -9.854 7.011 1.00 15.00 C ATOM 0 H VAL A 30 -2.660 -9.754 9.628 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.009 -8.235 8.885 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.083 -8.381 6.612 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -1.944 -7.221 7.010 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.222 -6.647 8.109 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.971 -7.764 8.704 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.959 -9.546 6.184 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.980 -10.187 7.844 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.242 -10.672 6.687 1.00 15.00 H new ATOM 430 N ARG A 31 -5.911 -10.094 7.044 1.00 15.00 N ATOM 431 CA ARG A 31 -6.799 -11.125 6.518 1.00 15.00 C ATOM 432 C ARG A 31 -6.071 -12.456 6.347 1.00 15.00 C ATOM 433 O ARG A 31 -6.630 -13.517 6.624 1.00 15.00 O ATOM 434 CB ARG A 31 -7.392 -10.679 5.180 1.00 15.00 C ATOM 435 CG ARG A 31 -8.529 -11.561 4.692 1.00 15.00 C ATOM 436 CD ARG A 31 -9.374 -10.852 3.647 1.00 15.00 C ATOM 437 NE ARG A 31 -10.493 -11.676 3.196 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.626 -11.823 3.877 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.795 -11.204 5.039 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.594 -12.590 3.395 1.00 15.00 N ATOM 0 H ARG A 31 -5.838 -9.263 6.457 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.603 -11.271 7.239 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.754 -9.655 5.276 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -6.603 -10.669 4.428 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.123 -12.480 4.270 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.157 -11.848 5.536 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.755 -9.919 4.061 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.750 -10.590 2.793 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.400 -12.167 2.307 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.054 -10.612 5.414 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.666 -11.320 5.557 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.470 -13.067 2.502 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.463 -12.703 3.917 1.00 15.00 H new ATOM 454 N HIS A 32 -4.825 -12.398 5.887 1.00 15.00 N ATOM 455 CA HIS A 32 -4.036 -13.608 5.680 1.00 15.00 C ATOM 456 C HIS A 32 -2.600 -13.282 5.274 1.00 15.00 C ATOM 457 O HIS A 32 -1.667 -13.983 5.659 1.00 15.00 O ATOM 458 CB HIS A 32 -4.692 -14.498 4.621 1.00 15.00 C ATOM 459 CG HIS A 32 -4.786 -13.869 3.263 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.038 -12.527 3.064 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.669 -14.412 2.029 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.073 -12.275 1.768 1.00 15.00 C ATOM 463 NE2 HIS A 32 -4.851 -13.402 1.117 1.00 15.00 N ATOM 0 H HIS A 32 -4.342 -11.531 5.652 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.002 -14.144 6.628 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.126 -15.426 4.541 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.694 -14.764 4.956 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -5.176 -11.837 3.803 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -4.469 -15.449 1.803 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -5.253 -11.310 1.317 1.00 15.00 H new ATOM 472 N GLY A 33 -2.427 -12.221 4.494 1.00 15.00 N ATOM 473 CA GLY A 33 -1.095 -11.834 4.055 1.00 15.00 C ATOM 474 C GLY A 33 -1.076 -10.517 3.298 1.00 15.00 C ATOM 475 O GLY A 33 -0.126 -10.229 2.571 1.00 15.00 O ATOM 0 H GLY A 33 -3.181 -11.622 4.158 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.441 -11.756 4.924 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.687 -12.618 3.418 1.00 15.00 H new ATOM 479 N GLY A 34 -2.111 -9.703 3.488 1.00 15.00 N ATOM 480 CA GLY A 34 -2.166 -8.413 2.832 1.00 15.00 C ATOM 481 C GLY A 34 -1.685 -7.330 3.766 1.00 15.00 C ATOM 482 O GLY A 34 -1.791 -7.479 4.983 1.00 15.00 O ATOM 0 H GLY A 34 -2.911 -9.916 4.084 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.550 -8.428 1.933 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.187 -8.202 2.515 1.00 15.00 H new ATOM 486 N ILE A 35 -1.138 -6.247 3.229 1.00 15.00 N ATOM 487 CA ILE A 35 -0.640 -5.188 4.093 1.00 15.00 C ATOM 488 C ILE A 35 -1.660 -4.081 4.298 1.00 15.00 C ATOM 489 O ILE A 35 -2.529 -3.843 3.460 1.00 15.00 O ATOM 490 CB ILE A 35 0.694 -4.591 3.587 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.699 -4.563 4.741 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.501 -3.197 2.994 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.898 -3.669 4.510 1.00 15.00 C ATOM 0 H ILE A 35 -1.030 -6.081 2.228 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.455 -5.662 5.057 1.00 15.00 H new ATOM 0 HB ILE A 35 1.078 -5.222 2.785 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.186 -4.234 5.645 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.049 -5.579 4.925 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.461 -2.812 2.650 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.190 -3.252 2.153 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.095 -2.531 3.755 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.556 -3.711 5.378 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.440 -4.008 3.627 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.563 -2.643 4.358 1.00 15.00 H new ATOM 505 N TYR A 36 -1.520 -3.404 5.425 1.00 15.00 N ATOM 506 CA TYR A 36 -2.394 -2.301 5.780 1.00 15.00 C ATOM 507 C TYR A 36 -1.558 -1.157 6.326 1.00 15.00 C ATOM 508 O TYR A 36 -1.017 -1.239 7.429 1.00 15.00 O ATOM 509 CB TYR A 36 -3.429 -2.748 6.812 1.00 15.00 C ATOM 510 CG TYR A 36 -4.424 -3.747 6.267 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.046 -5.057 5.992 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.741 -3.380 6.023 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.952 -5.970 5.490 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.654 -4.288 5.521 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.255 -5.581 5.257 1.00 15.00 C ATOM 516 OH TYR A 36 -7.160 -6.489 4.756 1.00 15.00 O ATOM 0 H TYR A 36 -0.799 -3.604 6.118 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.929 -1.965 4.892 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.914 -3.188 7.666 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.966 -1.874 7.179 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.027 -5.365 6.174 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.057 -2.368 6.229 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.642 -6.983 5.281 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.674 -3.986 5.337 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.069 -6.142 4.871 1.00 15.00 H new ATOM 526 N VAL A 37 -1.428 -0.103 5.535 1.00 15.00 N ATOM 527 CA VAL A 37 -0.623 1.044 5.932 1.00 15.00 C ATOM 528 C VAL A 37 -1.068 1.601 7.277 1.00 15.00 C ATOM 529 O VAL A 37 -2.247 1.568 7.619 1.00 15.00 O ATOM 530 CB VAL A 37 -0.628 2.180 4.863 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.944 1.651 3.477 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.582 3.309 5.212 1.00 15.00 C ATOM 0 H VAL A 37 -1.867 -0.017 4.618 1.00 15.00 H new ATOM 0 HA VAL A 37 0.399 0.675 6.022 1.00 15.00 H new ATOM 0 HB VAL A 37 0.384 2.585 4.861 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.937 2.475 2.763 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.194 0.915 3.189 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.928 1.183 3.482 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.544 4.071 4.434 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.597 2.918 5.288 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.291 3.750 6.166 1.00 15.00 H new ATOM 542 N LYS A 38 -0.117 2.138 8.024 1.00 15.00 N ATOM 543 CA LYS A 38 -0.419 2.734 9.312 1.00 15.00 C ATOM 544 C LYS A 38 -0.969 4.134 9.078 1.00 15.00 C ATOM 545 O LYS A 38 -2.020 4.497 9.603 1.00 15.00 O ATOM 546 CB LYS A 38 0.832 2.747 10.210 1.00 15.00 C ATOM 547 CG LYS A 38 1.413 4.125 10.510 1.00 15.00 C ATOM 548 CD LYS A 38 1.966 4.187 11.923 1.00 15.00 C ATOM 549 CE LYS A 38 1.110 5.068 12.818 1.00 15.00 C ATOM 550 NZ LYS A 38 1.600 5.076 14.225 1.00 15.00 N ATOM 0 H LYS A 38 0.868 2.173 7.760 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.171 2.144 9.835 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.584 2.263 11.155 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.605 2.142 9.735 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.204 4.353 9.796 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.641 4.884 10.384 1.00 15.00 H new ATOM 0 HD2 LYS A 38 2.015 3.181 12.340 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.985 4.572 11.899 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.107 6.086 12.429 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.079 4.715 12.795 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.989 5.688 14.802 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.579 4.108 14.606 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.575 5.437 14.251 1.00 15.00 H new ATOM 564 N ALA A 39 -0.253 4.906 8.263 1.00 15.00 N ATOM 565 CA ALA A 39 -0.667 6.258 7.922 1.00 15.00 C ATOM 566 C ALA A 39 0.232 6.828 6.834 1.00 15.00 C ATOM 567 O ALA A 39 1.239 6.219 6.480 1.00 15.00 O ATOM 568 CB ALA A 39 -0.661 7.145 9.154 1.00 15.00 C ATOM 0 H ALA A 39 0.621 4.613 7.826 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.687 6.224 7.538 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.973 8.152 8.879 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.350 6.742 9.896 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.345 7.179 9.573 1.00 15.00 H new ATOM 574 N VAL A 40 -0.118 8.004 6.325 1.00 15.00 N ATOM 575 CA VAL A 40 0.684 8.654 5.290 1.00 15.00 C ATOM 576 C VAL A 40 1.612 9.675 5.936 1.00 15.00 C ATOM 577 O VAL A 40 1.158 10.670 6.502 1.00 15.00 O ATOM 578 CB VAL A 40 -0.185 9.355 4.216 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.142 8.586 2.904 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.620 9.516 4.691 1.00 15.00 C ATOM 0 H VAL A 40 -0.947 8.526 6.609 1.00 15.00 H new ATOM 0 HA VAL A 40 1.258 7.876 4.787 1.00 15.00 H new ATOM 0 HB VAL A 40 0.229 10.349 4.049 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.759 9.095 2.163 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.886 8.534 2.546 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.523 7.577 3.061 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.206 10.011 3.917 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.047 8.535 4.898 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.637 10.118 5.600 1.00 15.00 H new ATOM 590 N ILE A 41 2.910 9.395 5.896 1.00 15.00 N ATOM 591 CA ILE A 41 3.895 10.262 6.529 1.00 15.00 C ATOM 592 C ILE A 41 4.212 11.513 5.708 1.00 15.00 C ATOM 593 O ILE A 41 4.705 11.427 4.581 1.00 15.00 O ATOM 594 CB ILE A 41 5.189 9.474 6.867 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.958 8.531 8.057 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.348 10.413 7.167 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.544 7.996 8.166 1.00 15.00 C ATOM 0 H ILE A 41 3.303 8.576 5.433 1.00 15.00 H new ATOM 0 HA ILE A 41 3.445 10.613 7.458 1.00 15.00 H new ATOM 0 HB ILE A 41 5.447 8.880 5.990 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.647 7.690 7.978 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.205 9.060 8.977 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.238 9.829 7.400 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.543 11.040 6.297 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.094 11.043 8.019 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.469 7.339 9.033 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.848 8.827 8.280 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.296 7.436 7.264 1.00 15.00 H new ATOM 609 N PRO A 42 3.933 12.704 6.296 1.00 15.00 N ATOM 610 CA PRO A 42 4.176 14.004 5.655 1.00 15.00 C ATOM 611 C PRO A 42 5.657 14.270 5.395 1.00 15.00 C ATOM 612 O PRO A 42 6.229 15.218 5.932 1.00 15.00 O ATOM 613 CB PRO A 42 3.625 15.018 6.664 1.00 15.00 C ATOM 614 CG PRO A 42 3.638 14.305 7.969 1.00 15.00 C ATOM 615 CD PRO A 42 3.358 12.868 7.647 1.00 15.00 C ATOM 0 HA PRO A 42 3.704 14.056 4.674 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.242 15.916 6.698 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.617 15.334 6.396 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.602 14.415 8.466 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.884 14.709 8.644 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.825 12.196 8.367 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.289 12.654 7.658 1.00 15.00 H new ATOM 623 N GLN A 43 6.274 13.433 4.567 1.00 15.00 N ATOM 624 CA GLN A 43 7.685 13.595 4.245 1.00 15.00 C ATOM 625 C GLN A 43 8.013 13.040 2.860 1.00 15.00 C ATOM 626 O GLN A 43 8.697 13.690 2.070 1.00 15.00 O ATOM 627 CB GLN A 43 8.551 12.903 5.299 1.00 15.00 C ATOM 628 CG GLN A 43 8.938 13.807 6.458 1.00 15.00 C ATOM 629 CD GLN A 43 10.273 13.430 7.071 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.540 12.257 7.332 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.120 14.426 7.305 1.00 15.00 N ATOM 0 H GLN A 43 5.822 12.641 4.110 1.00 15.00 H new ATOM 0 HA GLN A 43 7.902 14.663 4.241 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.014 12.038 5.688 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.457 12.528 4.823 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.981 14.839 6.110 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.164 13.760 7.224 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.857 15.384 7.073 1.00 15.00 H new ATOM 0 HE22 GLN A 43 12.033 14.233 7.717 1.00 15.00 H new ATOM 640 N GLY A 44 7.537 11.831 2.573 1.00 15.00 N ATOM 641 CA GLY A 44 7.816 11.218 1.283 1.00 15.00 C ATOM 642 C GLY A 44 6.812 11.577 0.204 1.00 15.00 C ATOM 643 O GLY A 44 5.743 12.121 0.482 1.00 15.00 O ATOM 0 H GLY A 44 6.967 11.268 3.204 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.811 11.520 0.955 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.835 10.135 1.403 1.00 15.00 H new ATOM 647 N ALA A 45 7.169 11.255 -1.036 1.00 15.00 N ATOM 648 CA ALA A 45 6.325 11.532 -2.198 1.00 15.00 C ATOM 649 C ALA A 45 4.940 10.903 -2.081 1.00 15.00 C ATOM 650 O ALA A 45 4.041 11.228 -2.858 1.00 15.00 O ATOM 651 CB ALA A 45 7.007 11.043 -3.464 1.00 15.00 C ATOM 0 H ALA A 45 8.050 10.795 -1.265 1.00 15.00 H new ATOM 0 HA ALA A 45 6.187 12.612 -2.242 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.371 11.253 -4.324 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.962 11.555 -3.584 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.178 9.969 -3.393 1.00 15.00 H new ATOM 657 N ALA A 46 4.760 10.003 -1.121 1.00 15.00 N ATOM 658 CA ALA A 46 3.473 9.349 -0.939 1.00 15.00 C ATOM 659 C ALA A 46 2.458 10.326 -0.364 1.00 15.00 C ATOM 660 O ALA A 46 1.415 10.586 -0.974 1.00 15.00 O ATOM 661 CB ALA A 46 3.619 8.144 -0.023 1.00 15.00 C ATOM 0 H ALA A 46 5.483 9.712 -0.463 1.00 15.00 H new ATOM 0 HA ALA A 46 3.117 9.009 -1.911 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.649 7.664 0.105 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.319 7.435 -0.464 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.994 8.468 0.948 1.00 15.00 H new ATOM 667 N GLU A 47 2.780 10.873 0.806 1.00 15.00 N ATOM 668 CA GLU A 47 1.914 11.841 1.467 1.00 15.00 C ATOM 669 C GLU A 47 1.661 13.043 0.557 1.00 15.00 C ATOM 670 O GLU A 47 0.538 13.537 0.458 1.00 15.00 O ATOM 671 CB GLU A 47 2.543 12.313 2.787 1.00 15.00 C ATOM 672 CG GLU A 47 3.747 13.214 2.573 1.00 15.00 C ATOM 673 CD GLU A 47 3.364 14.669 2.383 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.219 15.032 2.728 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.209 15.446 1.891 1.00 15.00 O ATOM 0 H GLU A 47 3.638 10.660 1.316 1.00 15.00 H new ATOM 0 HA GLU A 47 0.963 11.354 1.682 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.794 12.847 3.371 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.844 11.444 3.373 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.417 13.128 3.429 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.301 12.871 1.699 1.00 15.00 H new ATOM 682 N SER A 48 2.726 13.515 -0.097 1.00 15.00 N ATOM 683 CA SER A 48 2.638 14.666 -0.991 1.00 15.00 C ATOM 684 C SER A 48 1.553 14.452 -2.031 1.00 15.00 C ATOM 685 O SER A 48 0.495 15.078 -1.976 1.00 15.00 O ATOM 686 CB SER A 48 3.983 14.910 -1.679 1.00 15.00 C ATOM 687 OG SER A 48 4.965 15.328 -0.746 1.00 15.00 O ATOM 0 H SER A 48 3.661 13.114 -0.022 1.00 15.00 H new ATOM 0 HA SER A 48 2.382 15.543 -0.396 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.313 13.997 -2.174 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.867 15.668 -2.453 1.00 15.00 H new ATOM 0 HG SER A 48 4.610 15.240 0.163 1.00 15.00 H new ATOM 693 N ASP A 49 1.807 13.545 -2.967 1.00 15.00 N ATOM 694 CA ASP A 49 0.829 13.239 -3.996 1.00 15.00 C ATOM 695 C ASP A 49 -0.460 12.774 -3.336 1.00 15.00 C ATOM 696 O ASP A 49 -1.558 13.155 -3.741 1.00 15.00 O ATOM 697 CB ASP A 49 1.361 12.157 -4.937 1.00 15.00 C ATOM 698 CG ASP A 49 0.967 12.401 -6.380 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.219 12.703 -6.629 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.845 12.291 -7.262 1.00 15.00 O ATOM 0 H ASP A 49 2.675 13.014 -3.032 1.00 15.00 H new ATOM 0 HA ASP A 49 0.635 14.135 -4.585 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.448 12.116 -4.862 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.983 11.185 -4.619 1.00 15.00 H new ATOM 705 N GLY A 50 -0.305 11.953 -2.302 1.00 15.00 N ATOM 706 CA GLY A 50 -1.449 11.447 -1.576 1.00 15.00 C ATOM 707 C GLY A 50 -2.090 10.279 -2.290 1.00 15.00 C ATOM 708 O GLY A 50 -3.315 10.175 -2.349 1.00 15.00 O ATOM 0 H GLY A 50 0.598 11.630 -1.955 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.139 11.138 -0.578 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.182 12.244 -1.450 1.00 15.00 H new ATOM 712 N ARG A 51 -1.262 9.404 -2.848 1.00 15.00 N ATOM 713 CA ARG A 51 -1.768 8.245 -3.578 1.00 15.00 C ATOM 714 C ARG A 51 -2.185 7.143 -2.616 1.00 15.00 C ATOM 715 O ARG A 51 -3.295 6.617 -2.699 1.00 15.00 O ATOM 716 CB ARG A 51 -0.716 7.719 -4.557 1.00 15.00 C ATOM 717 CG ARG A 51 -0.686 8.471 -5.878 1.00 15.00 C ATOM 718 CD ARG A 51 -1.741 7.952 -6.841 1.00 15.00 C ATOM 719 NE ARG A 51 -2.567 9.030 -7.381 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.309 8.915 -8.479 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.332 7.775 -9.157 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.032 9.944 -8.901 1.00 15.00 N ATOM 0 H ARG A 51 -0.245 9.472 -2.811 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.643 8.561 -4.145 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.267 7.782 -4.090 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.909 6.664 -4.753 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.849 9.533 -5.696 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.301 8.373 -6.331 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.255 7.423 -7.660 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.377 7.230 -6.328 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.575 9.922 -6.887 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.779 6.980 -8.837 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.903 7.693 -9.998 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.019 10.823 -8.384 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.601 9.856 -9.743 1.00 15.00 H new ATOM 736 N ILE A 52 -1.293 6.805 -1.697 1.00 15.00 N ATOM 737 CA ILE A 52 -1.564 5.779 -0.710 1.00 15.00 C ATOM 738 C ILE A 52 -2.395 6.355 0.438 1.00 15.00 C ATOM 739 O ILE A 52 -2.479 7.573 0.596 1.00 15.00 O ATOM 740 CB ILE A 52 -0.245 5.188 -0.178 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.513 3.925 0.632 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.511 6.219 0.647 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.256 2.861 -0.141 1.00 15.00 C ATOM 0 H ILE A 52 -0.370 7.232 -1.617 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.134 4.980 -1.183 1.00 15.00 H new ATOM 0 HB ILE A 52 0.380 4.916 -1.028 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.436 3.516 0.977 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.089 4.187 1.520 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.440 5.782 1.014 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.738 7.086 0.027 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.103 6.529 1.493 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.412 1.991 0.496 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.221 3.253 -0.464 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.672 2.571 -1.014 1.00 15.00 H new ATOM 755 N HIS A 53 -3.023 5.487 1.223 1.00 15.00 N ATOM 756 CA HIS A 53 -3.859 5.939 2.332 1.00 15.00 C ATOM 757 C HIS A 53 -3.835 4.974 3.500 1.00 15.00 C ATOM 758 O HIS A 53 -3.493 3.802 3.361 1.00 15.00 O ATOM 759 CB HIS A 53 -5.298 6.153 1.863 1.00 15.00 C ATOM 760 CG HIS A 53 -5.443 7.250 0.855 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.419 7.029 -0.506 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.616 8.584 1.015 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.571 8.179 -1.140 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.693 9.137 -0.240 1.00 15.00 N ATOM 0 H HIS A 53 -2.971 4.474 1.115 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.444 6.886 2.679 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.673 5.224 1.433 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.923 6.380 2.727 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.681 9.114 1.954 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.592 8.312 -2.212 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.823 10.128 -0.444 1.00 15.00 H new ATOM 773 N LYS A 54 -4.188 5.515 4.657 1.00 15.00 N ATOM 774 CA LYS A 54 -4.206 4.774 5.905 1.00 15.00 C ATOM 775 C LYS A 54 -4.810 3.375 5.760 1.00 15.00 C ATOM 776 O LYS A 54 -5.873 3.200 5.165 1.00 15.00 O ATOM 777 CB LYS A 54 -4.983 5.562 6.963 1.00 15.00 C ATOM 778 CG LYS A 54 -4.097 6.233 7.997 1.00 15.00 C ATOM 779 CD LYS A 54 -4.898 6.687 9.206 1.00 15.00 C ATOM 780 CE LYS A 54 -4.916 5.627 10.295 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.322 6.191 11.613 1.00 15.00 N ATOM 0 H LYS A 54 -4.472 6.490 4.754 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.168 4.644 6.212 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.587 6.322 6.467 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.673 4.888 7.471 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.318 5.540 8.315 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.597 7.091 7.548 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.470 7.608 9.601 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.920 6.914 8.902 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.604 4.830 10.014 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.926 5.179 10.381 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.322 5.436 12.329 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.651 6.935 11.894 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.277 6.596 11.538 1.00 15.00 H new ATOM 795 N GLY A 55 -4.118 2.388 6.327 1.00 15.00 N ATOM 796 CA GLY A 55 -4.583 1.011 6.282 1.00 15.00 C ATOM 797 C GLY A 55 -4.961 0.550 4.890 1.00 15.00 C ATOM 798 O GLY A 55 -5.823 -0.314 4.733 1.00 15.00 O ATOM 0 H GLY A 55 -3.235 2.520 6.821 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.802 0.359 6.674 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.446 0.905 6.939 1.00 15.00 H new ATOM 802 N ASP A 56 -4.317 1.114 3.876 1.00 15.00 N ATOM 803 CA ASP A 56 -4.607 0.727 2.501 1.00 15.00 C ATOM 804 C ASP A 56 -4.197 -0.722 2.253 1.00 15.00 C ATOM 805 O ASP A 56 -3.080 -1.124 2.580 1.00 15.00 O ATOM 806 CB ASP A 56 -3.902 1.659 1.516 1.00 15.00 C ATOM 807 CG ASP A 56 -4.764 2.847 1.135 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.864 2.993 1.709 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.341 3.633 0.263 1.00 15.00 O ATOM 0 H ASP A 56 -3.599 1.832 3.977 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.682 0.813 2.343 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.971 2.014 1.957 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.636 1.102 0.618 1.00 15.00 H new ATOM 814 N ARG A 57 -5.109 -1.503 1.680 1.00 15.00 N ATOM 815 CA ARG A 57 -4.840 -2.909 1.395 1.00 15.00 C ATOM 816 C ARG A 57 -4.036 -3.065 0.108 1.00 15.00 C ATOM 817 O ARG A 57 -4.601 -3.104 -0.986 1.00 15.00 O ATOM 818 CB ARG A 57 -6.151 -3.689 1.286 1.00 15.00 C ATOM 819 CG ARG A 57 -5.993 -5.181 1.527 1.00 15.00 C ATOM 820 CD ARG A 57 -7.340 -5.883 1.584 1.00 15.00 C ATOM 821 NE ARG A 57 -7.293 -7.207 0.968 1.00 15.00 N ATOM 822 CZ ARG A 57 -8.373 -7.934 0.693 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.583 -7.471 0.980 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.244 -9.128 0.130 1.00 15.00 N ATOM 0 H ARG A 57 -6.039 -1.187 1.405 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.251 -3.311 2.219 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.864 -3.287 2.005 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.576 -3.533 0.294 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.388 -5.617 0.732 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.457 -5.345 2.462 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -7.656 -5.977 2.623 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.088 -5.274 1.077 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.379 -7.597 0.735 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.688 -6.554 1.413 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.408 -8.032 0.767 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.316 -9.489 -0.092 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -9.072 -9.685 -0.081 1.00 15.00 H new ATOM 838 N VAL A 58 -2.717 -3.161 0.245 1.00 15.00 N ATOM 839 CA VAL A 58 -1.841 -3.319 -0.910 1.00 15.00 C ATOM 840 C VAL A 58 -1.742 -4.789 -1.313 1.00 15.00 C ATOM 841 O VAL A 58 -1.210 -5.617 -0.567 1.00 15.00 O ATOM 842 CB VAL A 58 -0.429 -2.736 -0.644 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.525 -1.463 0.184 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.476 -3.750 0.044 1.00 15.00 C ATOM 0 H VAL A 58 -2.233 -3.132 1.142 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.282 -2.757 -1.733 1.00 15.00 H new ATOM 0 HB VAL A 58 0.016 -2.496 -1.610 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.475 -1.068 0.361 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.118 -0.723 -0.354 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.002 -1.685 1.139 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.457 -3.306 0.214 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.038 -4.039 0.999 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.582 -4.631 -0.588 1.00 15.00 H new ATOM 854 N LEU A 59 -2.284 -5.111 -2.486 1.00 15.00 N ATOM 855 CA LEU A 59 -2.272 -6.487 -2.976 1.00 15.00 C ATOM 856 C LEU A 59 -1.290 -6.692 -4.130 1.00 15.00 C ATOM 857 O LEU A 59 -1.005 -7.829 -4.503 1.00 15.00 O ATOM 858 CB LEU A 59 -3.673 -6.913 -3.413 1.00 15.00 C ATOM 859 CG LEU A 59 -4.742 -6.862 -2.319 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.013 -7.550 -2.789 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.227 -7.504 -1.039 1.00 15.00 C ATOM 0 H LEU A 59 -2.734 -4.442 -3.111 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.939 -7.110 -2.146 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.989 -6.273 -4.237 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.621 -7.930 -3.801 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.973 -5.818 -2.109 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.764 -7.506 -2.000 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.391 -7.047 -3.679 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.797 -8.592 -3.026 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.001 -7.459 -0.272 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.969 -8.545 -1.233 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.342 -6.969 -0.694 1.00 15.00 H new ATOM 873 N ALA A 60 -0.792 -5.607 -4.714 1.00 15.00 N ATOM 874 CA ALA A 60 0.131 -5.726 -5.839 1.00 15.00 C ATOM 875 C ALA A 60 1.092 -4.544 -5.934 1.00 15.00 C ATOM 876 O ALA A 60 0.748 -3.413 -5.595 1.00 15.00 O ATOM 877 CB ALA A 60 -0.650 -5.870 -7.135 1.00 15.00 C ATOM 0 H ALA A 60 -1.007 -4.650 -4.434 1.00 15.00 H new ATOM 0 HA ALA A 60 0.736 -6.617 -5.670 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.045 -5.958 -7.970 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.274 -6.762 -7.086 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.281 -4.993 -7.279 1.00 15.00 H new ATOM 883 N VAL A 61 2.294 -4.829 -6.423 1.00 15.00 N ATOM 884 CA VAL A 61 3.327 -3.817 -6.605 1.00 15.00 C ATOM 885 C VAL A 61 4.044 -4.059 -7.921 1.00 15.00 C ATOM 886 O VAL A 61 4.873 -4.963 -8.026 1.00 15.00 O ATOM 887 CB VAL A 61 4.360 -3.835 -5.464 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.287 -2.633 -5.564 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.664 -3.875 -4.115 1.00 15.00 C ATOM 0 H VAL A 61 2.579 -5.767 -6.704 1.00 15.00 H new ATOM 0 HA VAL A 61 2.838 -2.843 -6.604 1.00 15.00 H new ATOM 0 HB VAL A 61 4.965 -4.737 -5.559 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.010 -2.663 -4.749 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.814 -2.658 -6.518 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.702 -1.716 -5.497 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.410 -3.887 -3.321 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.032 -2.994 -4.005 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.049 -4.773 -4.049 1.00 15.00 H new ATOM 899 N ASN A 62 3.695 -3.278 -8.936 1.00 15.00 N ATOM 900 CA ASN A 62 4.288 -3.448 -10.253 1.00 15.00 C ATOM 901 C ASN A 62 3.888 -4.809 -10.826 1.00 15.00 C ATOM 902 O ASN A 62 4.482 -5.289 -11.792 1.00 15.00 O ATOM 903 CB ASN A 62 5.812 -3.324 -10.184 1.00 15.00 C ATOM 904 CG ASN A 62 6.281 -1.886 -10.305 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.191 -1.581 -11.076 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.660 -0.994 -9.541 1.00 15.00 N ATOM 0 H ASN A 62 3.009 -2.526 -8.872 1.00 15.00 H new ATOM 0 HA ASN A 62 3.916 -2.661 -10.909 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.165 -3.740 -9.241 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.259 -3.917 -10.982 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.933 -0.012 -9.579 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.911 -1.291 -8.916 1.00 15.00 H new ATOM 913 N GLY A 63 2.868 -5.421 -10.217 1.00 15.00 N ATOM 914 CA GLY A 63 2.388 -6.714 -10.666 1.00 15.00 C ATOM 915 C GLY A 63 2.756 -7.853 -9.732 1.00 15.00 C ATOM 916 O GLY A 63 2.500 -9.016 -10.043 1.00 15.00 O ATOM 0 H GLY A 63 2.366 -5.037 -9.416 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.304 -6.675 -10.769 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.795 -6.920 -11.656 1.00 15.00 H new ATOM 920 N VAL A 64 3.344 -7.532 -8.581 1.00 15.00 N ATOM 921 CA VAL A 64 3.719 -8.561 -7.616 1.00 15.00 C ATOM 922 C VAL A 64 2.614 -8.760 -6.578 1.00 15.00 C ATOM 923 O VAL A 64 2.437 -7.946 -5.672 1.00 15.00 O ATOM 924 CB VAL A 64 5.057 -8.236 -6.912 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.889 -7.133 -5.881 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.637 -9.488 -6.270 1.00 15.00 C ATOM 0 H VAL A 64 3.569 -6.578 -8.297 1.00 15.00 H new ATOM 0 HA VAL A 64 3.854 -9.487 -8.174 1.00 15.00 H new ATOM 0 HB VAL A 64 5.754 -7.876 -7.669 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.849 -6.930 -5.406 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.528 -6.229 -6.371 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.169 -7.448 -5.125 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.578 -9.242 -5.779 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.934 -9.878 -5.534 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.814 -10.242 -7.037 1.00 15.00 H new ATOM 936 N SER A 65 1.865 -9.845 -6.725 1.00 15.00 N ATOM 937 CA SER A 65 0.769 -10.153 -5.811 1.00 15.00 C ATOM 938 C SER A 65 1.254 -10.209 -4.367 1.00 15.00 C ATOM 939 O SER A 65 2.260 -10.850 -4.062 1.00 15.00 O ATOM 940 CB SER A 65 0.119 -11.484 -6.195 1.00 15.00 C ATOM 941 OG SER A 65 -1.289 -11.426 -6.044 1.00 15.00 O ATOM 0 H SER A 65 1.996 -10.529 -7.470 1.00 15.00 H new ATOM 0 HA SER A 65 0.030 -9.355 -5.892 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.367 -11.729 -7.228 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.522 -12.282 -5.572 1.00 15.00 H new ATOM 0 HG SER A 65 -1.681 -12.288 -6.297 1.00 15.00 H new ATOM 947 N LEU A 66 0.525 -9.538 -3.482 1.00 15.00 N ATOM 948 CA LEU A 66 0.869 -9.511 -2.066 1.00 15.00 C ATOM 949 C LEU A 66 0.240 -10.694 -1.335 1.00 15.00 C ATOM 950 O LEU A 66 0.687 -11.072 -0.252 1.00 15.00 O ATOM 951 CB LEU A 66 0.410 -8.195 -1.433 1.00 15.00 C ATOM 952 CG LEU A 66 1.473 -7.471 -0.604 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.923 -8.339 0.561 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.659 -7.088 -1.476 1.00 15.00 C ATOM 0 H LEU A 66 -0.310 -9.004 -3.722 1.00 15.00 H new ATOM 0 HA LEU A 66 1.953 -9.587 -1.976 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.071 -7.527 -2.225 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.451 -8.397 -0.796 1.00 15.00 H new ATOM 0 HG LEU A 66 1.034 -6.558 -0.202 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.679 -7.808 1.140 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.068 -8.563 1.199 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.345 -9.269 0.180 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.405 -6.574 -0.870 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.099 -7.987 -1.908 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.324 -6.428 -2.276 1.00 15.00 H new ATOM 966 N GLU A 67 -0.800 -11.275 -1.936 1.00 15.00 N ATOM 967 CA GLU A 67 -1.494 -12.420 -1.348 1.00 15.00 C ATOM 968 C GLU A 67 -0.501 -13.435 -0.782 1.00 15.00 C ATOM 969 O GLU A 67 0.024 -14.277 -1.511 1.00 15.00 O ATOM 970 CB GLU A 67 -2.383 -13.089 -2.399 1.00 15.00 C ATOM 971 CG GLU A 67 -3.849 -13.154 -2.005 1.00 15.00 C ATOM 972 CD GLU A 67 -4.779 -13.085 -3.201 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.311 -12.709 -4.296 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.975 -13.407 -3.041 1.00 15.00 O ATOM 0 H GLU A 67 -1.180 -10.970 -2.832 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.114 -12.057 -0.528 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.292 -12.545 -3.339 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.019 -14.100 -2.580 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.034 -14.079 -1.459 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.075 -12.332 -1.326 1.00 15.00 H new ATOM 981 N GLY A 68 -0.246 -13.342 0.519 1.00 15.00 N ATOM 982 CA GLY A 68 0.686 -14.250 1.160 1.00 15.00 C ATOM 983 C GLY A 68 2.018 -13.589 1.457 1.00 15.00 C ATOM 984 O GLY A 68 3.030 -13.908 0.833 1.00 15.00 O ATOM 0 H GLY A 68 -0.669 -12.653 1.141 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.251 -14.619 2.089 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.847 -15.116 0.518 1.00 15.00 H new ATOM 988 N ALA A 69 2.016 -12.662 2.409 1.00 15.00 N ATOM 989 CA ALA A 69 3.229 -11.949 2.786 1.00 15.00 C ATOM 990 C ALA A 69 2.990 -11.071 4.010 1.00 15.00 C ATOM 991 O ALA A 69 1.851 -10.727 4.326 1.00 15.00 O ATOM 992 CB ALA A 69 3.727 -11.112 1.617 1.00 15.00 C ATOM 0 H ALA A 69 1.186 -12.387 2.934 1.00 15.00 H new ATOM 0 HA ALA A 69 3.992 -12.683 3.045 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.634 -10.583 1.909 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.943 -11.763 0.770 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.961 -10.390 1.334 1.00 15.00 H new ATOM 998 N THR A 70 4.071 -10.714 4.697 1.00 15.00 N ATOM 999 CA THR A 70 3.976 -9.879 5.890 1.00 15.00 C ATOM 1000 C THR A 70 4.142 -8.400 5.546 1.00 15.00 C ATOM 1001 O THR A 70 4.217 -8.027 4.376 1.00 15.00 O ATOM 1002 CB THR A 70 5.033 -10.297 6.913 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.316 -9.840 6.523 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.120 -11.795 7.108 1.00 15.00 C ATOM 0 H THR A 70 5.021 -10.989 4.449 1.00 15.00 H new ATOM 0 HA THR A 70 2.984 -10.020 6.319 1.00 15.00 H new ATOM 0 HB THR A 70 4.720 -9.843 7.853 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.978 -10.116 7.191 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.889 -12.022 7.846 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.159 -12.173 7.457 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.375 -12.271 6.161 1.00 15.00 H new ATOM 1012 N HIS A 71 4.196 -7.566 6.581 1.00 15.00 N ATOM 1013 CA HIS A 71 4.352 -6.126 6.406 1.00 15.00 C ATOM 1014 C HIS A 71 5.662 -5.816 5.702 1.00 15.00 C ATOM 1015 O HIS A 71 5.677 -5.244 4.612 1.00 15.00 O ATOM 1016 CB HIS A 71 4.273 -5.427 7.775 1.00 15.00 C ATOM 1017 CG HIS A 71 5.246 -4.304 7.978 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.964 -4.136 9.144 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.612 -3.284 7.165 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.726 -3.062 9.040 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.531 -2.529 7.850 1.00 15.00 N ATOM 0 H HIS A 71 4.134 -7.865 7.554 1.00 15.00 H new ATOM 0 HA HIS A 71 3.544 -5.749 5.779 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.263 -5.039 7.909 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.435 -6.171 8.555 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.249 -3.099 6.165 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.394 -2.685 9.800 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.990 -1.690 7.495 1.00 15.00 H new ATOM 1030 N LYS A 72 6.757 -6.207 6.330 1.00 15.00 N ATOM 1031 CA LYS A 72 8.080 -5.986 5.766 1.00 15.00 C ATOM 1032 C LYS A 72 8.150 -6.527 4.343 1.00 15.00 C ATOM 1033 O LYS A 72 8.860 -5.987 3.494 1.00 15.00 O ATOM 1034 CB LYS A 72 9.134 -6.660 6.640 1.00 15.00 C ATOM 1035 CG LYS A 72 10.559 -6.244 6.310 1.00 15.00 C ATOM 1036 CD LYS A 72 11.312 -5.791 7.550 1.00 15.00 C ATOM 1037 CE LYS A 72 11.842 -6.974 8.344 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.248 -6.762 8.787 1.00 15.00 N ATOM 0 H LYS A 72 6.757 -6.681 7.233 1.00 15.00 H new ATOM 0 HA LYS A 72 8.275 -4.914 5.736 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.930 -6.427 7.685 1.00 15.00 H new ATOM 0 HB3 LYS A 72 9.046 -7.741 6.531 1.00 15.00 H new ATOM 0 HG2 LYS A 72 11.085 -7.080 5.850 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.542 -5.436 5.578 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.141 -5.147 7.258 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.652 -5.195 8.180 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.208 -7.139 9.215 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.786 -7.875 7.733 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.571 -7.591 9.325 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.858 -6.630 7.955 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.298 -5.917 9.391 1.00 15.00 H new ATOM 1052 N GLN A 73 7.398 -7.595 4.087 1.00 15.00 N ATOM 1053 CA GLN A 73 7.365 -8.202 2.763 1.00 15.00 C ATOM 1054 C GLN A 73 6.885 -7.186 1.738 1.00 15.00 C ATOM 1055 O GLN A 73 7.562 -6.928 0.742 1.00 15.00 O ATOM 1056 CB GLN A 73 6.454 -9.430 2.757 1.00 15.00 C ATOM 1057 CG GLN A 73 6.947 -10.547 1.852 1.00 15.00 C ATOM 1058 CD GLN A 73 6.816 -11.917 2.490 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.135 -12.081 3.502 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.472 -12.909 1.898 1.00 15.00 N ATOM 0 H GLN A 73 6.806 -8.055 4.778 1.00 15.00 H new ATOM 0 HA GLN A 73 8.374 -8.521 2.501 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.364 -9.811 3.774 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.455 -9.130 2.439 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.383 -10.529 0.919 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.991 -10.368 1.596 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.025 -12.727 1.060 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.423 -13.853 2.281 1.00 15.00 H new ATOM 1069 N ALA A 74 5.725 -6.589 1.998 1.00 15.00 N ATOM 1070 CA ALA A 74 5.184 -5.578 1.103 1.00 15.00 C ATOM 1071 C ALA A 74 6.102 -4.369 1.093 1.00 15.00 C ATOM 1072 O ALA A 74 6.438 -3.841 0.035 1.00 15.00 O ATOM 1073 CB ALA A 74 3.781 -5.181 1.519 1.00 15.00 C ATOM 0 H ALA A 74 5.148 -6.788 2.815 1.00 15.00 H new ATOM 0 HA ALA A 74 5.125 -5.992 0.096 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.399 -4.424 0.834 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.132 -6.056 1.491 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.802 -4.777 2.531 1.00 15.00 H new ATOM 1079 N VAL A 75 6.536 -3.959 2.286 1.00 15.00 N ATOM 1080 CA VAL A 75 7.457 -2.837 2.424 1.00 15.00 C ATOM 1081 C VAL A 75 8.549 -2.972 1.376 1.00 15.00 C ATOM 1082 O VAL A 75 8.947 -2.001 0.735 1.00 15.00 O ATOM 1083 CB VAL A 75 8.067 -2.809 3.848 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.575 -3.034 3.831 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.732 -1.513 4.557 1.00 15.00 C ATOM 0 H VAL A 75 6.262 -4.390 3.169 1.00 15.00 H new ATOM 0 HA VAL A 75 6.921 -1.900 2.274 1.00 15.00 H new ATOM 0 HB VAL A 75 7.619 -3.635 4.401 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.959 -3.006 4.851 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.793 -4.006 3.388 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.053 -2.251 3.242 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.172 -1.519 5.554 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.133 -0.673 3.989 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.650 -1.412 4.639 1.00 15.00 H new ATOM 1095 N GLU A 76 8.994 -4.208 1.191 1.00 15.00 N ATOM 1096 CA GLU A 76 10.005 -4.511 0.199 1.00 15.00 C ATOM 1097 C GLU A 76 9.439 -4.292 -1.200 1.00 15.00 C ATOM 1098 O GLU A 76 10.089 -3.693 -2.049 1.00 15.00 O ATOM 1099 CB GLU A 76 10.492 -5.953 0.351 1.00 15.00 C ATOM 1100 CG GLU A 76 10.973 -6.289 1.754 1.00 15.00 C ATOM 1101 CD GLU A 76 12.465 -6.552 1.814 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.957 -7.367 1.006 1.00 15.00 O ATOM 1103 OE2 GLU A 76 13.142 -5.943 2.669 1.00 15.00 O ATOM 0 H GLU A 76 8.666 -5.017 1.719 1.00 15.00 H new ATOM 0 HA GLU A 76 10.854 -3.844 0.350 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.682 -6.631 0.081 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.304 -6.130 -0.354 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.726 -5.466 2.425 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.439 -7.167 2.116 1.00 15.00 H new ATOM 1110 N THR A 77 8.217 -4.778 -1.434 1.00 15.00 N ATOM 1111 CA THR A 77 7.575 -4.621 -2.737 1.00 15.00 C ATOM 1112 C THR A 77 7.315 -3.152 -3.056 1.00 15.00 C ATOM 1113 O THR A 77 7.724 -2.658 -4.107 1.00 15.00 O ATOM 1114 CB THR A 77 6.268 -5.407 -2.805 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.344 -4.940 -1.839 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.451 -6.893 -2.591 1.00 15.00 C ATOM 0 H THR A 77 7.658 -5.279 -0.743 1.00 15.00 H new ATOM 0 HA THR A 77 8.262 -5.019 -3.484 1.00 15.00 H new ATOM 0 HB THR A 77 5.890 -5.247 -3.815 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.802 -4.346 -1.208 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.483 -7.391 -2.652 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.114 -7.292 -3.359 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.888 -7.068 -1.608 1.00 15.00 H new ATOM 1124 N LEU A 78 6.634 -2.452 -2.147 1.00 15.00 N ATOM 1125 CA LEU A 78 6.332 -1.037 -2.354 1.00 15.00 C ATOM 1126 C LEU A 78 7.611 -0.276 -2.662 1.00 15.00 C ATOM 1127 O LEU A 78 7.684 0.486 -3.626 1.00 15.00 O ATOM 1128 CB LEU A 78 5.660 -0.429 -1.116 1.00 15.00 C ATOM 1129 CG LEU A 78 4.663 -1.335 -0.389 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.896 -0.543 0.660 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.703 -1.984 -1.377 1.00 15.00 C ATOM 0 H LEU A 78 6.285 -2.838 -1.270 1.00 15.00 H new ATOM 0 HA LEU A 78 5.644 -0.957 -3.195 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.437 -0.136 -0.411 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.142 0.482 -1.417 1.00 15.00 H new ATOM 0 HG LEU A 78 5.220 -2.126 0.112 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.191 -1.200 1.169 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.595 -0.129 1.387 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.352 0.269 0.177 1.00 15.00 H new ATOM 0 HD21 LEU A 78 3.004 -2.623 -0.838 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.151 -1.210 -1.910 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.267 -2.584 -2.091 1.00 15.00 H new ATOM 1143 N ARG A 79 8.620 -0.506 -1.837 1.00 15.00 N ATOM 1144 CA ARG A 79 9.913 0.132 -2.008 1.00 15.00 C ATOM 1145 C ARG A 79 10.611 -0.393 -3.262 1.00 15.00 C ATOM 1146 O ARG A 79 10.910 0.366 -4.183 1.00 15.00 O ATOM 1147 CB ARG A 79 10.774 -0.119 -0.769 1.00 15.00 C ATOM 1148 CG ARG A 79 11.716 1.027 -0.437 1.00 15.00 C ATOM 1149 CD ARG A 79 12.736 0.621 0.614 1.00 15.00 C ATOM 1150 NE ARG A 79 13.413 1.777 1.196 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.163 1.720 2.294 1.00 15.00 C ATOM 1152 NH1 ARG A 79 14.336 0.567 2.928 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.744 2.819 2.758 1.00 15.00 N ATOM 0 H ARG A 79 8.566 -1.135 -1.036 1.00 15.00 H new ATOM 0 HA ARG A 79 9.767 1.205 -2.130 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.122 -0.300 0.085 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.359 -1.026 -0.922 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.232 1.349 -1.341 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.141 1.880 -0.077 1.00 15.00 H new ATOM 0 HD2 ARG A 79 12.238 0.057 1.403 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.474 -0.043 0.165 1.00 15.00 H new ATOM 0 HE ARG A 79 13.305 2.680 0.734 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.893 -0.281 2.574 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.912 0.529 3.769 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.616 3.707 2.273 1.00 15.00 H new ATOM 0 HH22 ARG A 79 15.319 2.776 3.599 1.00 15.00 H new ATOM 1167 N ASN A 80 10.867 -1.699 -3.282 1.00 15.00 N ATOM 1168 CA ASN A 80 11.530 -2.350 -4.412 1.00 15.00 C ATOM 1169 C ASN A 80 10.675 -2.316 -5.679 1.00 15.00 C ATOM 1170 O ASN A 80 10.313 -3.364 -6.216 1.00 15.00 O ATOM 1171 CB ASN A 80 11.863 -3.802 -4.064 1.00 15.00 C ATOM 1172 CG ASN A 80 12.702 -3.918 -2.806 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.244 -2.929 -2.314 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.814 -5.132 -2.280 1.00 15.00 N ATOM 0 H ASN A 80 10.623 -2.333 -2.521 1.00 15.00 H new ATOM 0 HA ASN A 80 12.447 -1.794 -4.609 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.937 -4.363 -3.933 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.397 -4.259 -4.897 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.367 -5.272 -1.434 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.347 -5.924 -2.722 1.00 15.00 H new ATOM 1181 N THR A 81 10.365 -1.122 -6.167 1.00 15.00 N ATOM 1182 CA THR A 81 9.569 -0.991 -7.381 1.00 15.00 C ATOM 1183 C THR A 81 10.481 -0.816 -8.592 1.00 15.00 C ATOM 1184 O THR A 81 10.586 -1.707 -9.436 1.00 15.00 O ATOM 1185 CB THR A 81 8.596 0.185 -7.270 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.847 0.938 -6.096 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.145 -0.244 -7.238 1.00 15.00 C ATOM 0 H THR A 81 10.649 -0.238 -5.746 1.00 15.00 H new ATOM 0 HA THR A 81 8.985 -1.903 -7.510 1.00 15.00 H new ATOM 0 HB THR A 81 8.764 0.784 -8.165 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.312 0.580 -5.357 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.507 0.636 -7.159 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.905 -0.785 -8.154 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.976 -0.893 -6.379 1.00 15.00 H new ATOM 1195 N GLY A 82 11.149 0.330 -8.663 1.00 15.00 N ATOM 1196 CA GLY A 82 12.055 0.595 -9.760 1.00 15.00 C ATOM 1197 C GLY A 82 11.691 1.843 -10.536 1.00 15.00 C ATOM 1198 O GLY A 82 11.911 2.963 -10.074 1.00 15.00 O ATOM 0 H GLY A 82 11.077 1.081 -7.977 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.068 0.698 -9.371 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.058 -0.260 -10.437 1.00 15.00 H new ATOM 1202 N GLN A 83 11.147 1.641 -11.726 1.00 15.00 N ATOM 1203 CA GLN A 83 10.758 2.747 -12.598 1.00 15.00 C ATOM 1204 C GLN A 83 9.630 3.583 -11.992 1.00 15.00 C ATOM 1205 O GLN A 83 9.877 4.628 -11.390 1.00 15.00 O ATOM 1206 CB GLN A 83 10.349 2.230 -13.985 1.00 15.00 C ATOM 1207 CG GLN A 83 9.649 0.878 -13.968 1.00 15.00 C ATOM 1208 CD GLN A 83 8.440 0.838 -14.882 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.856 1.874 -15.203 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.056 -0.361 -15.304 1.00 15.00 N ATOM 0 H GLN A 83 10.963 0.716 -12.115 1.00 15.00 H new ATOM 0 HA GLN A 83 11.629 3.393 -12.704 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.690 2.961 -14.453 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.239 2.157 -14.610 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.354 0.104 -14.270 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.338 0.646 -12.949 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.570 -1.193 -15.013 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.247 -0.450 -15.919 1.00 15.00 H new ATOM 1219 N VAL A 84 8.393 3.125 -12.168 1.00 15.00 N ATOM 1220 CA VAL A 84 7.227 3.832 -11.651 1.00 15.00 C ATOM 1221 C VAL A 84 6.594 3.066 -10.491 1.00 15.00 C ATOM 1222 O VAL A 84 6.813 1.865 -10.330 1.00 15.00 O ATOM 1223 CB VAL A 84 6.179 4.050 -12.768 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.881 4.617 -12.211 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.741 4.968 -13.841 1.00 15.00 C ATOM 0 H VAL A 84 8.173 2.263 -12.667 1.00 15.00 H new ATOM 0 HA VAL A 84 7.563 4.803 -11.287 1.00 15.00 H new ATOM 0 HB VAL A 84 5.953 3.080 -13.211 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.167 4.758 -13.023 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.466 3.924 -11.479 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.079 5.576 -11.732 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.995 5.114 -14.622 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.997 5.931 -13.399 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.635 4.518 -14.273 1.00 15.00 H new ATOM 1235 N VAL A 85 5.805 3.766 -9.689 1.00 15.00 N ATOM 1236 CA VAL A 85 5.142 3.155 -8.550 1.00 15.00 C ATOM 1237 C VAL A 85 3.705 2.781 -8.908 1.00 15.00 C ATOM 1238 O VAL A 85 2.764 3.516 -8.611 1.00 15.00 O ATOM 1239 CB VAL A 85 5.160 4.110 -7.332 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.092 3.747 -6.311 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.538 4.119 -6.688 1.00 15.00 C ATOM 0 H VAL A 85 5.609 4.760 -9.808 1.00 15.00 H new ATOM 0 HA VAL A 85 5.684 2.247 -8.285 1.00 15.00 H new ATOM 0 HB VAL A 85 4.933 5.112 -7.695 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.139 4.442 -5.472 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.108 3.806 -6.777 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.262 2.732 -5.951 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.536 4.795 -5.833 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.790 3.112 -6.354 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.277 4.456 -7.415 1.00 15.00 H new ATOM 1251 N HIS A 86 3.551 1.627 -9.553 1.00 15.00 N ATOM 1252 CA HIS A 86 2.235 1.142 -9.957 1.00 15.00 C ATOM 1253 C HIS A 86 1.736 0.075 -8.990 1.00 15.00 C ATOM 1254 O HIS A 86 1.872 -1.122 -9.243 1.00 15.00 O ATOM 1255 CB HIS A 86 2.289 0.576 -11.376 1.00 15.00 C ATOM 1256 CG HIS A 86 0.938 0.360 -11.985 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.186 1.055 -11.589 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.532 -0.478 -12.968 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.224 0.652 -12.300 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.815 -0.277 -13.145 1.00 15.00 N ATOM 0 H HIS A 86 4.323 1.010 -9.807 1.00 15.00 H new ATOM 0 HA HIS A 86 1.541 1.982 -9.938 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.859 1.256 -12.008 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.827 -0.372 -11.360 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.152 -1.175 -13.512 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.235 1.020 -12.206 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.404 -0.766 -13.819 1.00 15.00 H new ATOM 1269 N LEU A 87 1.170 0.521 -7.876 1.00 15.00 N ATOM 1270 CA LEU A 87 0.661 -0.385 -6.856 1.00 15.00 C ATOM 1271 C LEU A 87 -0.854 -0.541 -6.946 1.00 15.00 C ATOM 1272 O LEU A 87 -1.593 0.429 -6.802 1.00 15.00 O ATOM 1273 CB LEU A 87 1.039 0.135 -5.468 1.00 15.00 C ATOM 1274 CG LEU A 87 1.946 -0.787 -4.661 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.110 -0.010 -4.063 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.151 -1.487 -3.569 1.00 15.00 C ATOM 0 H LEU A 87 1.052 1.510 -7.656 1.00 15.00 H new ATOM 0 HA LEU A 87 1.112 -1.363 -7.024 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.534 1.100 -5.580 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.125 0.309 -4.900 1.00 15.00 H new ATOM 0 HG LEU A 87 2.353 -1.543 -5.332 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.744 -0.687 -3.491 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.694 0.445 -4.864 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.727 0.770 -3.405 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.812 -2.142 -3.001 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.716 -0.743 -2.902 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.355 -2.078 -4.021 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.311 -1.770 -7.159 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.742 -2.048 -7.238 1.00 15.00 C ATOM 1290 C LEU A 88 -3.238 -2.549 -5.885 1.00 15.00 C ATOM 1291 O LEU A 88 -3.019 -3.704 -5.519 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.036 -3.081 -8.332 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.250 -2.908 -9.640 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.137 -1.439 -10.021 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -0.868 -3.537 -9.526 1.00 15.00 C ATOM 0 H LEU A 88 -0.714 -2.588 -7.280 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.267 -1.128 -7.496 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.828 -4.074 -7.934 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.101 -3.046 -8.562 1.00 15.00 H new ATOM 0 HG LEU A 88 -2.799 -3.421 -10.430 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.576 -1.346 -10.951 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.134 -1.020 -10.156 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.620 -0.897 -9.230 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.329 -3.403 -10.464 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.316 -3.058 -8.718 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -0.969 -4.602 -9.315 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.879 -1.661 -5.133 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.377 -1.995 -3.801 1.00 15.00 C ATOM 1309 C LEU A 89 -5.891 -2.164 -3.773 1.00 15.00 C ATOM 1310 O LEU A 89 -6.545 -2.307 -4.806 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.988 -0.906 -2.797 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.996 0.122 -3.311 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.922 1.309 -2.370 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.640 -0.519 -3.479 1.00 15.00 C ATOM 0 H LEU A 89 -4.067 -0.701 -5.423 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.920 -2.946 -3.528 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.892 -0.387 -2.479 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.567 -1.383 -1.912 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.332 0.487 -4.281 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.206 2.035 -2.755 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.905 1.774 -2.293 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.602 0.972 -1.384 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.931 0.222 -3.848 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.297 -0.902 -2.518 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.711 -1.340 -4.193 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.428 -2.114 -2.559 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.857 -2.227 -2.322 1.00 15.00 C ATOM 1328 C GLU A 90 -8.264 -1.233 -1.237 1.00 15.00 C ATOM 1329 O GLU A 90 -7.748 -1.278 -0.120 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.221 -3.661 -1.917 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.413 -3.761 -0.974 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.911 -5.184 -0.813 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.170 -6.118 -1.185 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.042 -5.363 -0.315 1.00 15.00 O ATOM 0 H GLU A 90 -5.878 -1.993 -1.708 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.399 -1.994 -3.239 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.435 -4.237 -2.817 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.356 -4.123 -1.441 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.133 -3.365 0.002 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.223 -3.137 -1.351 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.176 -0.327 -1.574 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.631 0.688 -0.629 1.00 15.00 C ATOM 1343 C LYS A 91 -9.960 0.076 0.730 1.00 15.00 C ATOM 1344 O LYS A 91 -11.016 -0.529 0.914 1.00 15.00 O ATOM 1345 CB LYS A 91 -10.849 1.417 -1.190 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.269 2.625 -0.369 1.00 15.00 C ATOM 1347 CD LYS A 91 -10.778 3.922 -0.994 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.163 4.845 0.045 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.104 5.925 0.454 1.00 15.00 N ATOM 0 H LYS A 91 -9.615 -0.274 -2.493 1.00 15.00 H new ATOM 0 HA LYS A 91 -8.821 1.403 -0.485 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -10.632 1.739 -2.209 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -11.685 0.719 -1.247 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.355 2.649 -0.285 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -10.873 2.534 0.642 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.041 3.699 -1.765 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.610 4.428 -1.485 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -9.874 4.264 0.921 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.253 5.290 -0.357 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -10.647 6.533 1.163 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.360 6.495 -0.377 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.962 5.502 0.862 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.041 0.241 1.677 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.238 -0.297 3.009 1.00 15.00 C ATOM 1365 C GLY A 92 -10.445 0.302 3.704 1.00 15.00 C ATOM 1366 O GLY A 92 -10.673 1.510 3.636 1.00 15.00 O ATOM 0 H GLY A 92 -8.161 0.739 1.544 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.358 -1.379 2.946 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.347 -0.110 3.609 1.00 15.00 H new