USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 CYS SG : rot -35:sc= 0.229 USER MOD Set 1.2: A 83 CYS SG : rot 173:sc= -0.585 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -5.75! C(o=-8.6!,f=-5.7!) USER MOD Single : A 18 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-5.7!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 28:sc= 1.13 USER MOD Single : A 30 THR OG1 : rot -22:sc= 0.533 USER MOD Single : A 32 SER OG : rot 180:sc= -0.169 USER MOD Single : A 37 GLN : amide:sc= -0.029 K(o=-0.029,f=-0.57) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= 0.397 (180deg=-0.0596) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 51:sc= -0.0534 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.868 K(o=-0.87,f=-2.5) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 81 TYR OH : rot -0:sc= 0.589 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 91 SER OG : rot 81:sc= 0.0282 USER MOD Single : A 95 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 7.277 17.427 3.625 1.00 0.00 N ATOM 89 CA VAL A 9 7.390 16.336 2.664 1.00 0.00 C ATOM 90 C VAL A 9 7.865 15.055 3.339 1.00 0.00 C ATOM 91 O VAL A 9 8.833 15.063 4.098 1.00 0.00 O ATOM 92 CB VAL A 9 8.361 16.693 1.523 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.500 15.527 0.556 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.893 17.945 0.797 1.00 0.00 C ATOM 0 HA VAL A 9 6.395 16.176 2.248 1.00 0.00 H new ATOM 0 HB VAL A 9 9.341 16.896 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.190 15.798 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.885 14.657 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.525 15.290 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.591 18.182 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.902 17.773 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.850 18.778 1.499 1.00 0.00 H new ATOM 104 N VAL A 10 7.176 13.953 3.056 1.00 0.00 N ATOM 105 CA VAL A 10 7.528 12.662 3.635 1.00 0.00 C ATOM 106 C VAL A 10 8.195 11.761 2.602 1.00 0.00 C ATOM 107 O VAL A 10 9.223 11.141 2.875 1.00 0.00 O ATOM 108 CB VAL A 10 6.289 11.945 4.202 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.670 10.584 4.765 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.618 12.801 5.265 1.00 0.00 C ATOM 0 H VAL A 10 6.371 13.929 2.430 1.00 0.00 H new ATOM 0 HA VAL A 10 8.228 12.859 4.447 1.00 0.00 H new ATOM 0 HB VAL A 10 5.578 11.790 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.781 10.092 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.102 9.971 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.400 10.712 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.744 12.279 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.320 12.989 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.308 13.749 4.826 1.00 0.00 H new ATOM 120 N PHE A 11 7.604 11.693 1.414 1.00 0.00 N ATOM 121 CA PHE A 11 8.140 10.867 0.339 1.00 0.00 C ATOM 122 C PHE A 11 8.891 11.719 -0.680 1.00 0.00 C ATOM 123 O PHE A 11 8.938 12.944 -0.566 1.00 0.00 O ATOM 124 CB PHE A 11 7.013 10.099 -0.355 1.00 0.00 C ATOM 125 CG PHE A 11 6.152 9.313 0.592 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.055 9.900 1.202 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.440 7.987 0.873 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.262 9.179 2.075 1.00 0.00 C ATOM 129 CE2 PHE A 11 5.650 7.261 1.744 1.00 0.00 C ATOM 130 CZ PHE A 11 4.559 7.857 2.345 1.00 0.00 C ATOM 0 H PHE A 11 6.753 12.200 1.171 1.00 0.00 H new ATOM 0 HA PHE A 11 8.839 10.155 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.387 10.804 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.446 9.420 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.817 10.932 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.292 7.515 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.411 9.649 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.886 6.228 1.954 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.939 7.291 3.025 1.00 0.00 H new ATOM 140 N ALA A 12 9.479 11.062 -1.674 1.00 0.00 N ATOM 141 CA ALA A 12 10.226 11.759 -2.714 1.00 0.00 C ATOM 142 C ALA A 12 9.395 12.878 -3.331 1.00 0.00 C ATOM 143 O ALA A 12 8.282 13.157 -2.886 1.00 0.00 O ATOM 144 CB ALA A 12 10.676 10.779 -3.787 1.00 0.00 C ATOM 0 H ALA A 12 9.453 10.048 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 12 11.107 12.208 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.233 11.313 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.315 10.018 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.803 10.303 -4.234 1.00 0.00 H new ATOM 150 N LYS A 13 9.943 13.517 -4.360 1.00 0.00 N ATOM 151 CA LYS A 13 9.252 14.606 -5.040 1.00 0.00 C ATOM 152 C LYS A 13 8.679 14.138 -6.373 1.00 0.00 C ATOM 153 O LYS A 13 7.790 14.777 -6.935 1.00 0.00 O ATOM 154 CB LYS A 13 10.208 15.780 -5.268 1.00 0.00 C ATOM 155 CG LYS A 13 11.427 15.419 -6.098 1.00 0.00 C ATOM 156 CD LYS A 13 12.644 16.230 -5.684 1.00 0.00 C ATOM 157 CE LYS A 13 13.821 15.983 -6.614 1.00 0.00 C ATOM 158 NZ LYS A 13 14.598 14.776 -6.218 1.00 0.00 N ATOM 0 H LYS A 13 10.864 13.299 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 13 8.429 14.933 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.668 16.587 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.537 16.163 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.642 14.356 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.215 15.593 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.394 17.291 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.925 15.971 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.458 15.862 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.476 16.854 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.392 14.642 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.966 14.901 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.980 13.940 -6.247 1.00 0.00 H new ATOM 172 N GLU A 14 9.192 13.018 -6.873 1.00 0.00 N ATOM 173 CA GLU A 14 8.729 12.465 -8.140 1.00 0.00 C ATOM 174 C GLU A 14 7.964 11.164 -7.919 1.00 0.00 C ATOM 175 O GLU A 14 7.830 10.348 -8.831 1.00 0.00 O ATOM 176 CB GLU A 14 9.913 12.220 -9.078 1.00 0.00 C ATOM 177 CG GLU A 14 11.156 11.708 -8.369 1.00 0.00 C ATOM 178 CD GLU A 14 10.982 10.302 -7.830 1.00 0.00 C ATOM 179 OE1 GLU A 14 10.894 9.360 -8.645 1.00 0.00 O ATOM 180 OE2 GLU A 14 10.934 10.144 -6.592 1.00 0.00 O ATOM 0 H GLU A 14 9.928 12.476 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 14 8.055 13.189 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.618 11.500 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.156 13.149 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.998 11.726 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.404 12.380 -7.547 1.00 0.00 H new ATOM 187 N GLN A 15 7.464 10.978 -6.701 1.00 0.00 N ATOM 188 CA GLN A 15 6.714 9.775 -6.359 1.00 0.00 C ATOM 189 C GLN A 15 5.401 9.715 -7.133 1.00 0.00 C ATOM 190 O GLN A 15 4.686 10.708 -7.269 1.00 0.00 O ATOM 191 CB GLN A 15 6.436 9.732 -4.856 1.00 0.00 C ATOM 192 CG GLN A 15 7.676 9.475 -4.015 1.00 0.00 C ATOM 193 CD GLN A 15 7.918 7.999 -3.768 1.00 0.00 C ATOM 194 OE1 GLN A 15 8.926 7.692 -2.960 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.207 7.145 -4.297 1.00 0.00 N flip ATOM 0 H GLN A 15 7.565 11.644 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 15 7.317 8.910 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.990 10.678 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.701 8.953 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.545 9.903 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.574 9.988 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.443 7.427 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.382 6.156 -4.121 1.00 0.00 H new ATOM 204 N PRO A 16 5.075 8.522 -7.654 1.00 0.00 N ATOM 205 CA PRO A 16 3.846 8.304 -8.423 1.00 0.00 C ATOM 206 C PRO A 16 2.597 8.375 -7.552 1.00 0.00 C ATOM 207 O PRO A 16 2.380 7.525 -6.689 1.00 0.00 O ATOM 208 CB PRO A 16 4.026 6.891 -8.985 1.00 0.00 C ATOM 209 CG PRO A 16 4.956 6.221 -8.034 1.00 0.00 C ATOM 210 CD PRO A 16 5.880 7.295 -7.531 1.00 0.00 C ATOM 0 HA PRO A 16 3.703 9.067 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.074 6.364 -9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.440 6.916 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.408 5.761 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.514 5.426 -8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.182 7.114 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.792 7.351 -8.125 1.00 0.00 H new ATOM 218 N ALA A 17 1.777 9.395 -7.784 1.00 0.00 N ATOM 219 CA ALA A 17 0.547 9.576 -7.022 1.00 0.00 C ATOM 220 C ALA A 17 -0.122 8.236 -6.734 1.00 0.00 C ATOM 221 O ALA A 17 -0.668 8.023 -5.651 1.00 0.00 O ATOM 222 CB ALA A 17 -0.407 10.496 -7.769 1.00 0.00 C ATOM 0 H ALA A 17 1.942 10.109 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 17 0.804 10.036 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.321 10.622 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.065 11.467 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.650 10.059 -8.738 1.00 0.00 H new ATOM 228 N HIS A 18 -0.078 7.336 -7.711 1.00 0.00 N ATOM 229 CA HIS A 18 -0.681 6.016 -7.563 1.00 0.00 C ATOM 230 C HIS A 18 -0.049 5.018 -8.528 1.00 0.00 C ATOM 231 O HIS A 18 -0.132 5.179 -9.746 1.00 0.00 O ATOM 232 CB HIS A 18 -2.189 6.092 -7.804 1.00 0.00 C ATOM 233 CG HIS A 18 -2.787 4.799 -8.267 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.227 3.569 -7.991 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.903 4.548 -8.991 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.972 2.618 -8.526 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.996 3.186 -9.138 1.00 0.00 N ATOM 0 H HIS A 18 0.369 7.497 -8.614 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.500 5.673 -6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.681 6.401 -6.882 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.392 6.863 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.592 5.283 -9.381 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.777 1.557 -8.472 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.735 2.693 -9.638 1.00 0.00 H new ATOM 246 N ARG A 19 0.584 3.988 -7.976 1.00 0.00 N ATOM 247 CA ARG A 19 1.233 2.966 -8.788 1.00 0.00 C ATOM 248 C ARG A 19 0.383 1.700 -8.848 1.00 0.00 C ATOM 249 O ARG A 19 -0.343 1.383 -7.906 1.00 0.00 O ATOM 250 CB ARG A 19 2.617 2.638 -8.224 1.00 0.00 C ATOM 251 CG ARG A 19 3.603 2.155 -9.275 1.00 0.00 C ATOM 252 CD ARG A 19 4.955 1.828 -8.660 1.00 0.00 C ATOM 253 NE ARG A 19 5.991 1.657 -9.676 1.00 0.00 N ATOM 254 CZ ARG A 19 7.282 1.526 -9.393 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.694 1.547 -8.133 1.00 0.00 N ATOM 256 NH2 ARG A 19 8.165 1.374 -10.373 1.00 0.00 N ATOM 0 H ARG A 19 0.661 3.839 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 19 1.344 3.357 -9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.022 3.526 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.515 1.873 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.204 1.270 -9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.726 2.921 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.245 2.626 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.873 0.916 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 19 5.707 1.637 -10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.019 1.664 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.686 1.446 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.852 1.358 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.156 1.273 -10.155 1.00 0.00 H new ATOM 270 N GLU A 20 0.480 0.980 -9.962 1.00 0.00 N ATOM 271 CA GLU A 20 -0.281 -0.250 -10.144 1.00 0.00 C ATOM 272 C GLU A 20 0.629 -1.471 -10.050 1.00 0.00 C ATOM 273 O GLU A 20 1.642 -1.560 -10.744 1.00 0.00 O ATOM 274 CB GLU A 20 -0.998 -0.237 -11.496 1.00 0.00 C ATOM 275 CG GLU A 20 -1.923 0.953 -11.683 1.00 0.00 C ATOM 276 CD GLU A 20 -2.802 0.822 -12.911 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.809 0.086 -12.844 1.00 0.00 O ATOM 278 OE2 GLU A 20 -2.484 1.454 -13.940 1.00 0.00 O ATOM 0 H GLU A 20 1.078 1.227 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.023 -0.309 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.254 -0.237 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.576 -1.155 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.553 1.061 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.327 1.862 -11.763 1.00 0.00 H new ATOM 285 N VAL A 21 0.260 -2.412 -9.185 1.00 0.00 N ATOM 286 CA VAL A 21 1.041 -3.629 -9.000 1.00 0.00 C ATOM 287 C VAL A 21 0.212 -4.868 -9.317 1.00 0.00 C ATOM 288 O VAL A 21 -0.959 -4.953 -8.949 1.00 0.00 O ATOM 289 CB VAL A 21 1.577 -3.737 -7.560 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.435 -4.983 -7.402 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.363 -2.489 -7.188 1.00 0.00 C ATOM 0 H VAL A 21 -0.575 -2.354 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 21 1.883 -3.573 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 21 0.728 -3.820 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.805 -5.043 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.837 -5.867 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.279 -4.933 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.734 -2.583 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.205 -2.372 -7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.714 -1.616 -7.259 1.00 0.00 H new ATOM 301 N GLN A 22 0.829 -5.826 -10.001 1.00 0.00 N ATOM 302 CA GLN A 22 0.146 -7.062 -10.368 1.00 0.00 C ATOM 303 C GLN A 22 0.861 -8.274 -9.779 1.00 0.00 C ATOM 304 O GLN A 22 2.057 -8.224 -9.495 1.00 0.00 O ATOM 305 CB GLN A 22 0.066 -7.193 -11.890 1.00 0.00 C ATOM 306 CG GLN A 22 -1.031 -8.132 -12.363 1.00 0.00 C ATOM 307 CD GLN A 22 -0.955 -8.417 -13.850 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.486 -7.663 -14.666 1.00 0.00 O ATOM 309 NE2 GLN A 22 -0.292 -9.510 -14.210 1.00 0.00 N ATOM 0 H GLN A 22 1.799 -5.771 -10.312 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.864 -7.024 -9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.100 -6.207 -12.323 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.025 -7.549 -12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.962 -9.071 -11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.002 -7.696 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.132 -10.106 -13.500 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.207 -9.753 -15.197 1.00 0.00 H new ATOM 318 N ALA A 23 0.119 -9.361 -9.597 1.00 0.00 N ATOM 319 CA ALA A 23 0.682 -10.586 -9.043 1.00 0.00 C ATOM 320 C ALA A 23 -0.211 -11.785 -9.342 1.00 0.00 C ATOM 321 O ALA A 23 -1.316 -11.633 -9.863 1.00 0.00 O ATOM 322 CB ALA A 23 0.889 -10.441 -7.543 1.00 0.00 C ATOM 0 H ALA A 23 -0.874 -9.418 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 23 1.648 -10.759 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.310 -11.363 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.574 -9.615 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.068 -10.240 -7.061 1.00 0.00 H new ATOM 328 N GLU A 24 0.275 -12.977 -9.010 1.00 0.00 N ATOM 329 CA GLU A 24 -0.480 -14.202 -9.246 1.00 0.00 C ATOM 330 C GLU A 24 -1.009 -14.776 -7.934 1.00 0.00 C ATOM 331 O GLU A 24 -0.530 -14.429 -6.855 1.00 0.00 O ATOM 332 CB GLU A 24 0.394 -15.239 -9.953 1.00 0.00 C ATOM 333 CG GLU A 24 0.756 -14.860 -11.379 1.00 0.00 C ATOM 334 CD GLU A 24 1.869 -15.719 -11.947 1.00 0.00 C ATOM 335 OE1 GLU A 24 3.022 -15.573 -11.490 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.587 -16.536 -12.848 1.00 0.00 O ATOM 0 H GLU A 24 1.187 -13.120 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.329 -13.958 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.310 -15.381 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.128 -16.196 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.127 -14.952 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.060 -13.814 -11.407 1.00 0.00 H new ATOM 343 N ALA A 25 -2.000 -15.656 -8.037 1.00 0.00 N ATOM 344 CA ALA A 25 -2.593 -16.279 -6.860 1.00 0.00 C ATOM 345 C ALA A 25 -1.608 -17.229 -6.187 1.00 0.00 C ATOM 346 O ALA A 25 -1.170 -18.211 -6.785 1.00 0.00 O ATOM 347 CB ALA A 25 -3.867 -17.018 -7.240 1.00 0.00 C ATOM 0 H ALA A 25 -2.409 -15.953 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.842 -15.492 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.299 -17.478 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.581 -16.315 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.635 -17.791 -7.973 1.00 0.00 H new ATOM 353 N GLY A 26 -1.263 -16.930 -4.938 1.00 0.00 N ATOM 354 CA GLY A 26 -0.332 -17.767 -4.205 1.00 0.00 C ATOM 355 C GLY A 26 1.090 -17.248 -4.271 1.00 0.00 C ATOM 356 O GLY A 26 1.954 -17.683 -3.510 1.00 0.00 O ATOM 0 H GLY A 26 -1.612 -16.123 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.645 -17.827 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.365 -18.780 -4.607 1.00 0.00 H new ATOM 360 N ALA A 27 1.336 -16.315 -5.185 1.00 0.00 N ATOM 361 CA ALA A 27 2.664 -15.735 -5.348 1.00 0.00 C ATOM 362 C ALA A 27 2.964 -14.731 -4.240 1.00 0.00 C ATOM 363 O ALA A 27 2.169 -14.556 -3.316 1.00 0.00 O ATOM 364 CB ALA A 27 2.786 -15.072 -6.711 1.00 0.00 C ATOM 0 H ALA A 27 0.633 -15.944 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 27 3.396 -16.540 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.782 -14.643 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.624 -15.814 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.040 -14.283 -6.800 1.00 0.00 H new ATOM 370 N SER A 28 4.115 -14.074 -4.338 1.00 0.00 N ATOM 371 CA SER A 28 4.522 -13.091 -3.342 1.00 0.00 C ATOM 372 C SER A 28 4.725 -11.721 -3.982 1.00 0.00 C ATOM 373 O SER A 28 5.710 -11.491 -4.683 1.00 0.00 O ATOM 374 CB SER A 28 5.810 -13.539 -2.649 1.00 0.00 C ATOM 375 OG SER A 28 6.901 -13.546 -3.554 1.00 0.00 O ATOM 0 H SER A 28 4.783 -14.205 -5.098 1.00 0.00 H new ATOM 0 HA SER A 28 3.728 -13.012 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.029 -12.872 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.674 -14.536 -2.231 1.00 0.00 H new ATOM 0 HG SER A 28 6.749 -12.878 -4.255 1.00 0.00 H new ATOM 381 N ALA A 29 3.786 -10.814 -3.735 1.00 0.00 N ATOM 382 CA ALA A 29 3.861 -9.466 -4.284 1.00 0.00 C ATOM 383 C ALA A 29 4.919 -8.638 -3.563 1.00 0.00 C ATOM 384 O ALA A 29 5.541 -9.102 -2.606 1.00 0.00 O ATOM 385 CB ALA A 29 2.504 -8.784 -4.198 1.00 0.00 C ATOM 0 H ALA A 29 2.964 -10.989 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 29 4.150 -9.543 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.575 -7.778 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.772 -9.358 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.191 -8.726 -3.155 1.00 0.00 H new ATOM 391 N THR A 30 5.119 -7.409 -4.027 1.00 0.00 N ATOM 392 CA THR A 30 6.103 -6.516 -3.428 1.00 0.00 C ATOM 393 C THR A 30 5.831 -5.064 -3.805 1.00 0.00 C ATOM 394 O THR A 30 6.050 -4.657 -4.946 1.00 0.00 O ATOM 395 CB THR A 30 7.535 -6.886 -3.859 1.00 0.00 C ATOM 396 OG1 THR A 30 7.787 -8.269 -3.584 1.00 0.00 O ATOM 397 CG2 THR A 30 8.558 -6.025 -3.135 1.00 0.00 C ATOM 0 H THR A 30 4.612 -7.009 -4.817 1.00 0.00 H new ATOM 0 HA THR A 30 6.015 -6.631 -2.348 1.00 0.00 H new ATOM 0 HB THR A 30 7.626 -6.706 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.174 -8.580 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.561 -6.305 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.381 -4.975 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.465 -6.177 -2.060 1.00 0.00 H new ATOM 405 N LEU A 31 5.352 -4.287 -2.840 1.00 0.00 N ATOM 406 CA LEU A 31 5.050 -2.879 -3.070 1.00 0.00 C ATOM 407 C LEU A 31 6.177 -1.989 -2.558 1.00 0.00 C ATOM 408 O LEU A 31 6.253 -1.691 -1.366 1.00 0.00 O ATOM 409 CB LEU A 31 3.735 -2.500 -2.386 1.00 0.00 C ATOM 410 CG LEU A 31 2.626 -3.552 -2.434 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.472 -3.152 -1.529 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.142 -3.752 -3.862 1.00 0.00 C ATOM 0 H LEU A 31 5.164 -4.609 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 31 4.951 -2.726 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.945 -2.270 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.360 -1.585 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 31 3.032 -4.497 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.692 -3.912 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.829 -3.061 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.066 -2.195 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.353 -4.504 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.753 -2.810 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.973 -4.085 -4.484 1.00 0.00 H new ATOM 424 N SER A 32 7.051 -1.566 -3.466 1.00 0.00 N ATOM 425 CA SER A 32 8.176 -0.711 -3.106 1.00 0.00 C ATOM 426 C SER A 32 7.790 0.762 -3.198 1.00 0.00 C ATOM 427 O SER A 32 6.834 1.123 -3.886 1.00 0.00 O ATOM 428 CB SER A 32 9.371 -0.995 -4.018 1.00 0.00 C ATOM 429 OG SER A 32 10.289 0.086 -4.006 1.00 0.00 O ATOM 0 H SER A 32 7.001 -1.802 -4.457 1.00 0.00 H new ATOM 0 HA SER A 32 8.454 -0.932 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.873 -1.906 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.023 -1.169 -5.036 1.00 0.00 H new ATOM 0 HG SER A 32 11.045 -0.120 -4.595 1.00 0.00 H new ATOM 435 N CYS A 33 8.539 1.607 -2.499 1.00 0.00 N ATOM 436 CA CYS A 33 8.275 3.042 -2.499 1.00 0.00 C ATOM 437 C CYS A 33 9.402 3.802 -1.807 1.00 0.00 C ATOM 438 O CYS A 33 9.818 3.445 -0.705 1.00 0.00 O ATOM 439 CB CYS A 33 6.944 3.338 -1.808 1.00 0.00 C ATOM 440 SG CYS A 33 6.727 2.485 -0.228 1.00 0.00 S ATOM 0 H CYS A 33 9.333 1.324 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 33 8.219 3.376 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.864 4.412 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.130 3.056 -2.476 1.00 0.00 H new ATOM 0 HG CYS A 33 7.286 1.313 -0.287 1.00 0.00 H new ATOM 446 N GLU A 34 9.892 4.850 -2.462 1.00 0.00 N ATOM 447 CA GLU A 34 10.973 5.658 -1.909 1.00 0.00 C ATOM 448 C GLU A 34 10.453 6.588 -0.816 1.00 0.00 C ATOM 449 O GLU A 34 9.244 6.733 -0.633 1.00 0.00 O ATOM 450 CB GLU A 34 11.644 6.476 -3.014 1.00 0.00 C ATOM 451 CG GLU A 34 12.775 5.742 -3.714 1.00 0.00 C ATOM 452 CD GLU A 34 13.728 6.682 -4.426 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.490 7.390 -3.735 1.00 0.00 O ATOM 454 OE2 GLU A 34 13.712 6.709 -5.675 1.00 0.00 O ATOM 0 H GLU A 34 9.558 5.159 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 34 11.708 4.984 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.893 6.758 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.032 7.400 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.329 5.154 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.356 5.040 -4.435 1.00 0.00 H new ATOM 461 N VAL A 35 11.375 7.215 -0.093 1.00 0.00 N ATOM 462 CA VAL A 35 11.011 8.131 0.981 1.00 0.00 C ATOM 463 C VAL A 35 11.994 9.293 1.069 1.00 0.00 C ATOM 464 O VAL A 35 13.193 9.122 0.851 1.00 0.00 O ATOM 465 CB VAL A 35 10.961 7.411 2.341 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.648 6.659 2.500 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.146 6.467 2.487 1.00 0.00 C ATOM 0 H VAL A 35 12.380 7.105 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 35 10.019 8.515 0.746 1.00 0.00 H new ATOM 0 HB VAL A 35 11.021 8.159 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.631 6.157 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.817 7.362 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.554 5.919 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.095 5.966 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.119 5.723 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.074 7.035 2.421 1.00 0.00 H new ATOM 477 N ALA A 36 11.478 10.475 1.392 1.00 0.00 N ATOM 478 CA ALA A 36 12.311 11.665 1.512 1.00 0.00 C ATOM 479 C ALA A 36 13.375 11.484 2.590 1.00 0.00 C ATOM 480 O ALA A 36 14.364 12.215 2.626 1.00 0.00 O ATOM 481 CB ALA A 36 11.451 12.883 1.815 1.00 0.00 C ATOM 0 H ALA A 36 10.487 10.633 1.575 1.00 0.00 H new ATOM 0 HA ALA A 36 12.819 11.821 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.086 13.764 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.733 13.031 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.917 12.727 2.752 1.00 0.00 H new ATOM 487 N GLN A 37 13.163 10.507 3.466 1.00 0.00 N ATOM 488 CA GLN A 37 14.103 10.233 4.546 1.00 0.00 C ATOM 489 C GLN A 37 14.077 8.757 4.929 1.00 0.00 C ATOM 490 O GLN A 37 13.056 8.085 4.780 1.00 0.00 O ATOM 491 CB GLN A 37 13.777 11.095 5.766 1.00 0.00 C ATOM 492 CG GLN A 37 13.679 12.579 5.454 1.00 0.00 C ATOM 493 CD GLN A 37 13.748 13.443 6.698 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.565 13.206 7.588 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.888 14.453 6.767 1.00 0.00 N ATOM 0 H GLN A 37 12.349 9.893 3.449 1.00 0.00 H new ATOM 0 HA GLN A 37 15.104 10.480 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.833 10.760 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.545 10.942 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.487 12.858 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.743 12.775 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.228 14.613 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.888 15.068 7.581 1.00 0.00 H new ATOM 504 N ALA A 38 15.205 8.258 5.423 1.00 0.00 N ATOM 505 CA ALA A 38 15.310 6.862 5.829 1.00 0.00 C ATOM 506 C ALA A 38 14.785 6.662 7.246 1.00 0.00 C ATOM 507 O ALA A 38 13.879 5.861 7.474 1.00 0.00 O ATOM 508 CB ALA A 38 16.753 6.391 5.727 1.00 0.00 C ATOM 0 H ALA A 38 16.059 8.800 5.552 1.00 0.00 H new ATOM 0 HA ALA A 38 14.696 6.265 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.817 5.347 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.096 6.489 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.381 6.999 6.378 1.00 0.00 H new ATOM 514 N GLN A 39 15.360 7.394 8.195 1.00 0.00 N ATOM 515 CA GLN A 39 14.949 7.294 9.590 1.00 0.00 C ATOM 516 C GLN A 39 13.430 7.331 9.714 1.00 0.00 C ATOM 517 O GLN A 39 12.859 6.779 10.656 1.00 0.00 O ATOM 518 CB GLN A 39 15.567 8.430 10.408 1.00 0.00 C ATOM 519 CG GLN A 39 15.293 9.811 9.835 1.00 0.00 C ATOM 520 CD GLN A 39 15.531 10.919 10.843 1.00 0.00 C ATOM 521 OE1 GLN A 39 14.589 11.457 11.425 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.795 11.266 11.054 1.00 0.00 N ATOM 0 H GLN A 39 16.111 8.062 8.023 1.00 0.00 H new ATOM 0 HA GLN A 39 15.304 6.340 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.181 8.385 11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.645 8.278 10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.931 9.973 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.261 9.857 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.545 10.793 10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.016 12.005 11.721 1.00 0.00 H new ATOM 531 N THR A 40 12.778 7.985 8.758 1.00 0.00 N ATOM 532 CA THR A 40 11.325 8.095 8.761 1.00 0.00 C ATOM 533 C THR A 40 10.669 6.719 8.761 1.00 0.00 C ATOM 534 O THR A 40 11.228 5.756 8.237 1.00 0.00 O ATOM 535 CB THR A 40 10.819 8.893 7.544 1.00 0.00 C ATOM 536 OG1 THR A 40 11.141 10.280 7.699 1.00 0.00 O ATOM 537 CG2 THR A 40 9.316 8.731 7.378 1.00 0.00 C ATOM 0 H THR A 40 13.234 8.447 7.971 1.00 0.00 H new ATOM 0 HA THR A 40 11.050 8.625 9.673 1.00 0.00 H new ATOM 0 HB THR A 40 11.311 8.504 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.818 10.780 6.921 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.982 9.303 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.078 7.678 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.810 9.096 8.272 1.00 0.00 H new ATOM 545 N GLU A 41 9.481 6.635 9.350 1.00 0.00 N ATOM 546 CA GLU A 41 8.750 5.375 9.417 1.00 0.00 C ATOM 547 C GLU A 41 7.450 5.457 8.622 1.00 0.00 C ATOM 548 O GLU A 41 6.843 6.523 8.512 1.00 0.00 O ATOM 549 CB GLU A 41 8.448 5.011 10.872 1.00 0.00 C ATOM 550 CG GLU A 41 7.360 5.865 11.500 1.00 0.00 C ATOM 551 CD GLU A 41 6.997 5.410 12.900 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.802 5.639 13.827 1.00 0.00 O ATOM 553 OE2 GLU A 41 5.907 4.824 13.069 1.00 0.00 O ATOM 0 H GLU A 41 9.004 7.424 9.787 1.00 0.00 H new ATOM 0 HA GLU A 41 9.376 4.598 8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.150 3.964 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.361 5.111 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.692 6.903 11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.471 5.835 10.870 1.00 0.00 H new ATOM 560 N VAL A 42 7.028 4.324 8.069 1.00 0.00 N ATOM 561 CA VAL A 42 5.800 4.267 7.285 1.00 0.00 C ATOM 562 C VAL A 42 4.901 3.128 7.753 1.00 0.00 C ATOM 563 O VAL A 42 5.378 2.121 8.277 1.00 0.00 O ATOM 564 CB VAL A 42 6.100 4.086 5.785 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.164 5.073 5.330 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.531 2.656 5.497 1.00 0.00 C ATOM 0 H VAL A 42 7.519 3.433 8.150 1.00 0.00 H new ATOM 0 HA VAL A 42 5.286 5.216 7.434 1.00 0.00 H new ATOM 0 HB VAL A 42 5.188 4.287 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.363 4.930 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.813 6.091 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.081 4.907 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.739 2.546 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.430 2.425 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.733 1.971 5.784 1.00 0.00 H new ATOM 576 N THR A 43 3.596 3.294 7.561 1.00 0.00 N ATOM 577 CA THR A 43 2.630 2.281 7.964 1.00 0.00 C ATOM 578 C THR A 43 1.643 1.984 6.840 1.00 0.00 C ATOM 579 O THR A 43 0.797 2.814 6.510 1.00 0.00 O ATOM 580 CB THR A 43 1.847 2.718 9.217 1.00 0.00 C ATOM 581 OG1 THR A 43 2.755 3.009 10.285 1.00 0.00 O ATOM 582 CG2 THR A 43 0.874 1.632 9.653 1.00 0.00 C ATOM 0 H THR A 43 3.184 4.121 7.129 1.00 0.00 H new ATOM 0 HA THR A 43 3.196 1.379 8.195 1.00 0.00 H new ATOM 0 HB THR A 43 1.279 3.615 8.969 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.250 3.288 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.333 1.963 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.166 1.433 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.426 0.721 9.884 1.00 0.00 H new ATOM 590 N TRP A 44 1.759 0.796 6.257 1.00 0.00 N ATOM 591 CA TRP A 44 0.875 0.390 5.170 1.00 0.00 C ATOM 592 C TRP A 44 -0.567 0.281 5.652 1.00 0.00 C ATOM 593 O TRP A 44 -0.820 0.046 6.834 1.00 0.00 O ATOM 594 CB TRP A 44 1.333 -0.948 4.587 1.00 0.00 C ATOM 595 CG TRP A 44 2.691 -0.887 3.955 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.894 -1.057 4.578 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.984 -0.636 2.576 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.917 -0.927 3.671 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.385 -0.669 2.435 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.199 -0.389 1.446 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.015 -0.463 1.210 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.826 -0.184 0.232 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.222 -0.223 0.121 1.00 0.00 C ATOM 0 H TRP A 44 2.455 0.098 6.518 1.00 0.00 H new ATOM 0 HA TRP A 44 0.921 1.153 4.393 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.342 -1.697 5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.608 -1.279 3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.022 -1.264 5.630 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.911 -1.009 3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.122 -0.359 1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.091 -0.492 1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.229 0.010 -0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.681 -0.060 -0.843 1.00 0.00 H new ATOM 614 N TYR A 45 -1.509 0.453 4.731 1.00 0.00 N ATOM 615 CA TYR A 45 -2.926 0.377 5.064 1.00 0.00 C ATOM 616 C TYR A 45 -3.731 -0.179 3.893 1.00 0.00 C ATOM 617 O TYR A 45 -3.730 0.386 2.799 1.00 0.00 O ATOM 618 CB TYR A 45 -3.456 1.758 5.451 1.00 0.00 C ATOM 619 CG TYR A 45 -2.909 2.270 6.764 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.511 1.930 7.970 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.791 3.095 6.800 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.015 2.396 9.172 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.288 3.564 7.998 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.903 3.212 9.181 1.00 0.00 C ATOM 625 OH TYR A 45 -1.405 3.679 10.376 1.00 0.00 O ATOM 0 H TYR A 45 -1.316 0.646 3.748 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.038 -0.298 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.207 2.468 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.544 1.717 5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.381 1.291 7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.307 3.374 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.495 2.123 10.100 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.417 4.203 8.008 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.619 4.239 10.206 1.00 0.00 H new ATOM 635 N LYS A 46 -4.418 -1.291 4.131 1.00 0.00 N ATOM 636 CA LYS A 46 -5.230 -1.925 3.099 1.00 0.00 C ATOM 637 C LYS A 46 -6.701 -1.552 3.258 1.00 0.00 C ATOM 638 O LYS A 46 -7.396 -2.086 4.123 1.00 0.00 O ATOM 639 CB LYS A 46 -5.069 -3.445 3.157 1.00 0.00 C ATOM 640 CG LYS A 46 -5.445 -4.147 1.863 1.00 0.00 C ATOM 641 CD LYS A 46 -5.464 -5.656 2.032 1.00 0.00 C ATOM 642 CE LYS A 46 -6.451 -6.312 1.078 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.814 -6.409 1.670 1.00 0.00 N ATOM 0 H LYS A 46 -4.429 -1.772 5.030 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.885 -1.566 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.034 -3.683 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.686 -3.837 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.426 -3.805 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.735 -3.877 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.465 -6.055 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.730 -5.905 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.497 -5.738 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.096 -7.309 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.169 -7.381 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.773 -6.161 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.454 -5.753 1.178 1.00 0.00 H new ATOM 657 N ASP A 47 -7.169 -0.635 2.419 1.00 0.00 N ATOM 658 CA ASP A 47 -8.558 -0.193 2.466 1.00 0.00 C ATOM 659 C ASP A 47 -8.849 0.547 3.767 1.00 0.00 C ATOM 660 O ASP A 47 -9.953 0.469 4.304 1.00 0.00 O ATOM 661 CB ASP A 47 -9.500 -1.389 2.323 1.00 0.00 C ATOM 662 CG ASP A 47 -10.821 -1.012 1.681 1.00 0.00 C ATOM 663 OD1 ASP A 47 -10.837 -0.060 0.873 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.839 -1.667 1.988 1.00 0.00 O ATOM 0 H ASP A 47 -6.607 -0.183 1.698 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.724 0.492 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.015 -2.160 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.687 -1.820 3.307 1.00 0.00 H new ATOM 669 N GLY A 48 -7.850 1.265 4.270 1.00 0.00 N ATOM 670 CA GLY A 48 -8.018 2.008 5.505 1.00 0.00 C ATOM 671 C GLY A 48 -7.848 1.137 6.734 1.00 0.00 C ATOM 672 O GLY A 48 -8.255 1.514 7.833 1.00 0.00 O ATOM 0 H GLY A 48 -6.927 1.345 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.293 2.822 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.009 2.463 5.520 1.00 0.00 H new ATOM 676 N LYS A 49 -7.247 -0.033 6.549 1.00 0.00 N ATOM 677 CA LYS A 49 -7.023 -0.962 7.650 1.00 0.00 C ATOM 678 C LYS A 49 -5.536 -1.084 7.966 1.00 0.00 C ATOM 679 O LYS A 49 -4.739 -1.473 7.112 1.00 0.00 O ATOM 680 CB LYS A 49 -7.597 -2.339 7.308 1.00 0.00 C ATOM 681 CG LYS A 49 -9.116 -2.377 7.290 1.00 0.00 C ATOM 682 CD LYS A 49 -9.642 -3.766 7.609 1.00 0.00 C ATOM 683 CE LYS A 49 -9.627 -4.663 6.381 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.236 -5.994 6.658 1.00 0.00 N ATOM 0 H LYS A 49 -6.906 -0.361 5.645 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.533 -0.571 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.223 -2.647 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.232 -3.066 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.507 -1.663 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.477 -2.066 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.035 -4.214 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.659 -3.692 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.170 -4.177 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.600 -4.797 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.206 -6.575 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.703 -6.469 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.224 -5.868 6.957 1.00 0.00 H new ATOM 698 N LYS A 50 -5.168 -0.750 9.198 1.00 0.00 N ATOM 699 CA LYS A 50 -3.777 -0.825 9.629 1.00 0.00 C ATOM 700 C LYS A 50 -3.230 -2.238 9.459 1.00 0.00 C ATOM 701 O LYS A 50 -3.670 -3.171 10.132 1.00 0.00 O ATOM 702 CB LYS A 50 -3.650 -0.390 11.091 1.00 0.00 C ATOM 703 CG LYS A 50 -2.216 -0.150 11.531 1.00 0.00 C ATOM 704 CD LYS A 50 -2.156 0.662 12.814 1.00 0.00 C ATOM 705 CE LYS A 50 -0.721 0.988 13.200 1.00 0.00 C ATOM 706 NZ LYS A 50 0.023 -0.224 13.641 1.00 0.00 N ATOM 0 H LYS A 50 -5.815 -0.424 9.917 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.192 -0.150 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.225 0.524 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.094 -1.154 11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.715 -1.107 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.675 0.373 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.719 1.587 12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.634 0.106 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.210 1.439 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.719 1.727 14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.974 0.050 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.487 -0.678 14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.102 -0.891 12.847 1.00 0.00 H new ATOM 720 N LEU A 51 -2.267 -2.390 8.555 1.00 0.00 N ATOM 721 CA LEU A 51 -1.658 -3.691 8.298 1.00 0.00 C ATOM 722 C LEU A 51 -0.647 -4.043 9.384 1.00 0.00 C ATOM 723 O LEU A 51 -0.027 -3.162 9.979 1.00 0.00 O ATOM 724 CB LEU A 51 -0.976 -3.694 6.929 1.00 0.00 C ATOM 725 CG LEU A 51 -1.906 -3.707 5.715 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.177 -3.205 4.478 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.456 -5.106 5.480 1.00 0.00 C ATOM 0 H LEU A 51 -1.892 -1.629 7.989 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.447 -4.443 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.337 -2.814 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.325 -4.566 6.872 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.743 -3.038 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.855 -3.222 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.832 -2.185 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.321 -3.848 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.116 -5.097 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.631 -5.796 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.016 -5.429 6.358 1.00 0.00 H new ATOM 739 N SER A 52 -0.484 -5.338 9.635 1.00 0.00 N ATOM 740 CA SER A 52 0.452 -5.807 10.651 1.00 0.00 C ATOM 741 C SER A 52 1.416 -6.835 10.067 1.00 0.00 C ATOM 742 O SER A 52 1.019 -7.707 9.295 1.00 0.00 O ATOM 743 CB SER A 52 -0.308 -6.416 11.831 1.00 0.00 C ATOM 744 OG SER A 52 0.560 -6.658 12.926 1.00 0.00 O ATOM 0 H SER A 52 -0.987 -6.081 9.150 1.00 0.00 H new ATOM 0 HA SER A 52 1.029 -4.952 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.108 -5.743 12.139 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.778 -7.350 11.522 1.00 0.00 H new ATOM 0 HG SER A 52 0.050 -7.046 13.668 1.00 0.00 H new ATOM 750 N SER A 53 2.687 -6.725 10.443 1.00 0.00 N ATOM 751 CA SER A 53 3.710 -7.642 9.955 1.00 0.00 C ATOM 752 C SER A 53 3.496 -9.044 10.516 1.00 0.00 C ATOM 753 O SER A 53 3.323 -9.223 11.721 1.00 0.00 O ATOM 754 CB SER A 53 5.103 -7.135 10.336 1.00 0.00 C ATOM 755 OG SER A 53 5.285 -7.153 11.741 1.00 0.00 O ATOM 0 H SER A 53 3.032 -6.010 11.084 1.00 0.00 H new ATOM 0 HA SER A 53 3.632 -7.689 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.862 -7.755 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.239 -6.121 9.961 1.00 0.00 H new ATOM 0 HG SER A 53 6.183 -6.826 11.959 1.00 0.00 H new ATOM 761 N SER A 54 3.510 -10.037 9.632 1.00 0.00 N ATOM 762 CA SER A 54 3.313 -11.424 10.037 1.00 0.00 C ATOM 763 C SER A 54 3.871 -12.381 8.988 1.00 0.00 C ATOM 764 O SER A 54 4.256 -11.965 7.895 1.00 0.00 O ATOM 765 CB SER A 54 1.826 -11.706 10.262 1.00 0.00 C ATOM 766 OG SER A 54 1.643 -12.794 11.151 1.00 0.00 O ATOM 0 H SER A 54 3.656 -9.907 8.631 1.00 0.00 H new ATOM 0 HA SER A 54 3.851 -11.583 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.341 -10.817 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.346 -11.926 9.309 1.00 0.00 H new ATOM 0 HG SER A 54 0.685 -12.953 11.280 1.00 0.00 H new ATOM 772 N SER A 55 3.911 -13.665 9.328 1.00 0.00 N ATOM 773 CA SER A 55 4.425 -14.681 8.418 1.00 0.00 C ATOM 774 C SER A 55 3.907 -14.453 7.001 1.00 0.00 C ATOM 775 O SER A 55 4.542 -14.852 6.024 1.00 0.00 O ATOM 776 CB SER A 55 4.025 -16.077 8.901 1.00 0.00 C ATOM 777 OG SER A 55 4.796 -16.469 10.023 1.00 0.00 O ATOM 0 H SER A 55 3.593 -14.026 10.227 1.00 0.00 H new ATOM 0 HA SER A 55 5.512 -14.606 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.967 -16.085 9.162 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.160 -16.797 8.094 1.00 0.00 H new ATOM 0 HG SER A 55 4.520 -17.363 10.313 1.00 0.00 H new ATOM 783 N LYS A 56 2.750 -13.809 6.897 1.00 0.00 N ATOM 784 CA LYS A 56 2.146 -13.525 5.601 1.00 0.00 C ATOM 785 C LYS A 56 2.778 -12.292 4.964 1.00 0.00 C ATOM 786 O LYS A 56 3.473 -12.390 3.953 1.00 0.00 O ATOM 787 CB LYS A 56 0.637 -13.317 5.753 1.00 0.00 C ATOM 788 CG LYS A 56 -0.160 -13.720 4.525 1.00 0.00 C ATOM 789 CD LYS A 56 -1.648 -13.786 4.822 1.00 0.00 C ATOM 790 CE LYS A 56 -2.350 -14.801 3.933 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.540 -14.288 2.548 1.00 0.00 N ATOM 0 H LYS A 56 2.211 -13.474 7.696 1.00 0.00 H new ATOM 0 HA LYS A 56 2.325 -14.381 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.284 -13.892 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.444 -12.267 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.020 -13.005 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.184 -14.691 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.800 -14.051 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.093 -12.802 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.767 -15.722 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.319 -15.052 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.022 -15.009 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.118 -13.424 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.614 -14.073 2.127 1.00 0.00 H new ATOM 805 N VAL A 57 2.533 -11.130 5.563 1.00 0.00 N ATOM 806 CA VAL A 57 3.080 -9.878 5.056 1.00 0.00 C ATOM 807 C VAL A 57 4.327 -9.468 5.833 1.00 0.00 C ATOM 808 O VAL A 57 4.384 -9.612 7.054 1.00 0.00 O ATOM 809 CB VAL A 57 2.044 -8.741 5.133 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.622 -7.453 4.565 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.770 -9.132 4.400 1.00 0.00 C ATOM 0 H VAL A 57 1.959 -11.031 6.400 1.00 0.00 H new ATOM 0 HA VAL A 57 3.345 -10.048 4.013 1.00 0.00 H new ATOM 0 HB VAL A 57 1.795 -8.569 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.876 -6.661 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.504 -7.167 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.900 -7.608 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.049 -8.317 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.999 -9.332 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.348 -10.027 4.856 1.00 0.00 H new ATOM 821 N ARG A 58 5.323 -8.958 5.116 1.00 0.00 N ATOM 822 CA ARG A 58 6.569 -8.528 5.738 1.00 0.00 C ATOM 823 C ARG A 58 6.922 -7.103 5.320 1.00 0.00 C ATOM 824 O ARG A 58 7.079 -6.814 4.134 1.00 0.00 O ATOM 825 CB ARG A 58 7.707 -9.478 5.361 1.00 0.00 C ATOM 826 CG ARG A 58 9.057 -9.065 5.923 1.00 0.00 C ATOM 827 CD ARG A 58 10.073 -10.192 5.816 1.00 0.00 C ATOM 828 NE ARG A 58 10.019 -11.089 6.967 1.00 0.00 N ATOM 829 CZ ARG A 58 10.529 -10.789 8.157 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.127 -9.621 8.350 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.440 -11.658 9.156 1.00 0.00 N ATOM 0 H ARG A 58 5.291 -8.833 4.104 1.00 0.00 H new ATOM 0 HA ARG A 58 6.432 -8.548 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.466 -10.480 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.777 -9.534 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.424 -8.191 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.944 -8.773 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.889 -10.761 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.075 -9.770 5.732 1.00 0.00 H new ATOM 0 HE ARG A 58 9.565 -11.995 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.196 -8.951 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.518 -9.393 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.980 -12.557 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.832 -11.427 10.069 1.00 0.00 H new ATOM 845 N VAL A 59 7.045 -6.217 6.303 1.00 0.00 N ATOM 846 CA VAL A 59 7.380 -4.823 6.038 1.00 0.00 C ATOM 847 C VAL A 59 8.890 -4.621 5.985 1.00 0.00 C ATOM 848 O VAL A 59 9.539 -4.441 7.015 1.00 0.00 O ATOM 849 CB VAL A 59 6.786 -3.890 7.110 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.188 -2.447 6.844 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.272 -4.029 7.157 1.00 0.00 C ATOM 0 H VAL A 59 6.918 -6.440 7.290 1.00 0.00 H new ATOM 0 HA VAL A 59 6.949 -4.572 5.069 1.00 0.00 H new ATOM 0 HB VAL A 59 7.186 -4.181 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.759 -1.802 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.275 -2.362 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.819 -2.141 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.869 -3.363 7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.852 -3.765 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.008 -5.059 7.399 1.00 0.00 H new ATOM 861 N GLU A 60 9.444 -4.652 4.776 1.00 0.00 N ATOM 862 CA GLU A 60 10.879 -4.473 4.589 1.00 0.00 C ATOM 863 C GLU A 60 11.227 -2.995 4.436 1.00 0.00 C ATOM 864 O GLU A 60 10.552 -2.259 3.716 1.00 0.00 O ATOM 865 CB GLU A 60 11.356 -5.251 3.361 1.00 0.00 C ATOM 866 CG GLU A 60 11.781 -6.676 3.671 1.00 0.00 C ATOM 867 CD GLU A 60 12.777 -7.220 2.666 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.917 -6.711 2.627 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.417 -8.154 1.919 1.00 0.00 O ATOM 0 H GLU A 60 8.921 -4.799 3.913 1.00 0.00 H new ATOM 0 HA GLU A 60 11.386 -4.858 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.556 -5.272 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.194 -4.721 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.221 -6.711 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.900 -7.318 3.688 1.00 0.00 H new ATOM 876 N ALA A 61 12.284 -2.568 5.119 1.00 0.00 N ATOM 877 CA ALA A 61 12.723 -1.179 5.058 1.00 0.00 C ATOM 878 C ALA A 61 14.228 -1.089 4.830 1.00 0.00 C ATOM 879 O ALA A 61 15.019 -1.282 5.754 1.00 0.00 O ATOM 880 CB ALA A 61 12.335 -0.447 6.334 1.00 0.00 C ATOM 0 H ALA A 61 12.852 -3.164 5.721 1.00 0.00 H new ATOM 0 HA ALA A 61 12.225 -0.702 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.669 0.589 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.252 -0.473 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.806 -0.932 7.189 1.00 0.00 H new ATOM 886 N VAL A 62 14.618 -0.795 3.594 1.00 0.00 N ATOM 887 CA VAL A 62 16.029 -0.679 3.245 1.00 0.00 C ATOM 888 C VAL A 62 16.390 0.759 2.887 1.00 0.00 C ATOM 889 O VAL A 62 16.003 1.263 1.833 1.00 0.00 O ATOM 890 CB VAL A 62 16.392 -1.597 2.063 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.246 -3.059 2.458 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.529 -1.274 0.853 1.00 0.00 C ATOM 0 H VAL A 62 13.977 -0.633 2.818 1.00 0.00 H new ATOM 0 HA VAL A 62 16.598 -0.986 4.122 1.00 0.00 H new ATOM 0 HB VAL A 62 17.434 -1.420 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.507 -3.693 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.911 -3.278 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.215 -3.255 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.799 -1.932 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.479 -1.421 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.690 -0.237 0.558 1.00 0.00 H new ATOM 902 N GLY A 63 17.134 1.414 3.772 1.00 0.00 N ATOM 903 CA GLY A 63 17.536 2.788 3.531 1.00 0.00 C ATOM 904 C GLY A 63 16.360 3.686 3.201 1.00 0.00 C ATOM 905 O GLY A 63 15.575 4.041 4.082 1.00 0.00 O ATOM 0 H GLY A 63 17.466 1.018 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.048 3.174 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.252 2.815 2.710 1.00 0.00 H new ATOM 909 N CYS A 64 16.238 4.056 1.932 1.00 0.00 N ATOM 910 CA CYS A 64 15.151 4.922 1.488 1.00 0.00 C ATOM 911 C CYS A 64 14.170 4.154 0.607 1.00 0.00 C ATOM 912 O CYS A 64 13.512 4.733 -0.258 1.00 0.00 O ATOM 913 CB CYS A 64 15.707 6.125 0.726 1.00 0.00 C ATOM 914 SG CYS A 64 16.324 5.730 -0.927 1.00 0.00 S ATOM 0 H CYS A 64 16.878 3.770 1.191 1.00 0.00 H new ATOM 0 HA CYS A 64 14.618 5.276 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 64 14.925 6.880 0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 64 16.515 6.568 1.308 1.00 0.00 H new ATOM 0 HG CYS A 64 15.423 5.055 -1.577 1.00 0.00 H new ATOM 920 N THR A 65 14.078 2.847 0.832 1.00 0.00 N ATOM 921 CA THR A 65 13.181 2.000 0.057 1.00 0.00 C ATOM 922 C THR A 65 12.307 1.147 0.969 1.00 0.00 C ATOM 923 O THR A 65 12.811 0.345 1.755 1.00 0.00 O ATOM 924 CB THR A 65 13.963 1.077 -0.896 1.00 0.00 C ATOM 925 OG1 THR A 65 14.424 1.820 -2.030 1.00 0.00 O ATOM 926 CG2 THR A 65 13.095 -0.082 -1.361 1.00 0.00 C ATOM 0 H THR A 65 14.614 2.352 1.545 1.00 0.00 H new ATOM 0 HA THR A 65 12.548 2.664 -0.531 1.00 0.00 H new ATOM 0 HB THR A 65 14.819 0.674 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.922 1.226 -2.630 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.669 -0.720 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.771 -0.663 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.222 0.305 -1.886 1.00 0.00 H new ATOM 934 N ARG A 66 10.994 1.324 0.857 1.00 0.00 N ATOM 935 CA ARG A 66 10.050 0.570 1.673 1.00 0.00 C ATOM 936 C ARG A 66 9.243 -0.400 0.814 1.00 0.00 C ATOM 937 O ARG A 66 8.352 0.009 0.068 1.00 0.00 O ATOM 938 CB ARG A 66 9.106 1.522 2.410 1.00 0.00 C ATOM 939 CG ARG A 66 9.826 2.598 3.206 1.00 0.00 C ATOM 940 CD ARG A 66 10.427 2.037 4.485 1.00 0.00 C ATOM 941 NE ARG A 66 11.278 3.011 5.163 1.00 0.00 N ATOM 942 CZ ARG A 66 12.527 3.276 4.796 1.00 0.00 C ATOM 943 NH1 ARG A 66 13.067 2.644 3.763 1.00 0.00 N ATOM 944 NH2 ARG A 66 13.239 4.176 5.463 1.00 0.00 N ATOM 0 H ARG A 66 10.561 1.982 0.210 1.00 0.00 H new ATOM 0 HA ARG A 66 10.618 -0.005 2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.446 1.999 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.475 0.944 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.614 3.038 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.128 3.399 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.626 1.726 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.010 1.147 4.251 1.00 0.00 H new ATOM 0 HE ARG A 66 10.893 3.515 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.523 1.952 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.026 2.850 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.827 4.665 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.198 4.379 5.181 1.00 0.00 H new ATOM 958 N ARG A 67 9.561 -1.685 0.924 1.00 0.00 N ATOM 959 CA ARG A 67 8.867 -2.712 0.156 1.00 0.00 C ATOM 960 C ARG A 67 7.994 -3.573 1.064 1.00 0.00 C ATOM 961 O ARG A 67 8.349 -3.840 2.213 1.00 0.00 O ATOM 962 CB ARG A 67 9.875 -3.594 -0.584 1.00 0.00 C ATOM 963 CG ARG A 67 10.648 -4.533 0.327 1.00 0.00 C ATOM 964 CD ARG A 67 11.843 -5.144 -0.387 1.00 0.00 C ATOM 965 NE ARG A 67 11.444 -6.181 -1.335 1.00 0.00 N ATOM 966 CZ ARG A 67 12.306 -6.956 -1.983 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.610 -6.812 -1.786 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.865 -7.878 -2.830 1.00 0.00 N ATOM 0 H ARG A 67 10.295 -2.040 1.537 1.00 0.00 H new ATOM 0 HA ARG A 67 8.226 -2.215 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.347 -4.183 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.580 -2.956 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.988 -3.989 1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.988 -5.326 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.389 -4.362 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.526 -5.569 0.348 1.00 0.00 H new ATOM 0 HE ARG A 67 10.448 -6.317 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.952 -6.105 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.270 -7.408 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.863 -7.992 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.528 -8.473 -3.327 1.00 0.00 H new ATOM 982 N LEU A 68 6.851 -4.003 0.542 1.00 0.00 N ATOM 983 CA LEU A 68 5.926 -4.833 1.306 1.00 0.00 C ATOM 984 C LEU A 68 5.667 -6.157 0.594 1.00 0.00 C ATOM 985 O LEU A 68 4.918 -6.214 -0.381 1.00 0.00 O ATOM 986 CB LEU A 68 4.605 -4.092 1.524 1.00 0.00 C ATOM 987 CG LEU A 68 3.596 -4.775 2.448 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.832 -4.364 3.893 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.174 -4.444 2.022 1.00 0.00 C ATOM 0 H LEU A 68 6.542 -3.791 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 68 6.381 -5.044 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.828 -3.105 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.133 -3.939 0.553 1.00 0.00 H new ATOM 0 HG LEU A 68 3.734 -5.854 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.105 -4.860 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.839 -4.653 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.722 -3.284 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.469 -4.939 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.022 -3.366 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.010 -4.790 1.002 1.00 0.00 H new ATOM 1001 N VAL A 69 6.292 -7.221 1.089 1.00 0.00 N ATOM 1002 CA VAL A 69 6.127 -8.546 0.502 1.00 0.00 C ATOM 1003 C VAL A 69 4.874 -9.232 1.036 1.00 0.00 C ATOM 1004 O VAL A 69 4.732 -9.438 2.242 1.00 0.00 O ATOM 1005 CB VAL A 69 7.349 -9.441 0.784 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.176 -10.803 0.130 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.625 -8.767 0.303 1.00 0.00 C ATOM 0 H VAL A 69 6.917 -7.191 1.895 1.00 0.00 H new ATOM 0 HA VAL A 69 6.030 -8.405 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 69 7.428 -9.590 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.049 -11.421 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.284 -11.287 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.071 -10.678 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.478 -9.413 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.559 -8.586 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.754 -7.818 0.824 1.00 0.00 H new ATOM 1017 N VAL A 70 3.967 -9.584 0.131 1.00 0.00 N ATOM 1018 CA VAL A 70 2.726 -10.248 0.510 1.00 0.00 C ATOM 1019 C VAL A 70 2.730 -11.710 0.075 1.00 0.00 C ATOM 1020 O VAL A 70 2.463 -12.023 -1.084 1.00 0.00 O ATOM 1021 CB VAL A 70 1.502 -9.545 -0.105 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.223 -10.282 0.259 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.438 -8.094 0.348 1.00 0.00 C ATOM 0 H VAL A 70 4.068 -9.420 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 70 2.658 -10.195 1.597 1.00 0.00 H new ATOM 0 HB VAL A 70 1.604 -9.559 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.631 -9.770 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.271 -11.303 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.111 -10.302 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.567 -7.612 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.360 -8.055 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.342 -7.574 0.031 1.00 0.00 H new ATOM 1033 N GLN A 71 3.035 -12.600 1.014 1.00 0.00 N ATOM 1034 CA GLN A 71 3.074 -14.029 0.728 1.00 0.00 C ATOM 1035 C GLN A 71 1.671 -14.571 0.471 1.00 0.00 C ATOM 1036 O GLN A 71 0.721 -14.210 1.165 1.00 0.00 O ATOM 1037 CB GLN A 71 3.722 -14.786 1.888 1.00 0.00 C ATOM 1038 CG GLN A 71 5.095 -14.256 2.268 1.00 0.00 C ATOM 1039 CD GLN A 71 5.739 -15.053 3.386 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.186 -16.050 3.852 1.00 0.00 O ATOM 1041 NE2 GLN A 71 6.914 -14.616 3.824 1.00 0.00 N ATOM 0 H GLN A 71 3.259 -12.357 1.979 1.00 0.00 H new ATOM 0 HA GLN A 71 3.672 -14.178 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.067 -14.731 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.809 -15.839 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.743 -14.276 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.006 -13.214 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.336 -13.785 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.394 -15.111 4.575 1.00 0.00 H new ATOM 1050 N GLN A 72 1.551 -15.438 -0.528 1.00 0.00 N ATOM 1051 CA GLN A 72 0.264 -16.029 -0.876 1.00 0.00 C ATOM 1052 C GLN A 72 -0.728 -14.955 -1.311 1.00 0.00 C ATOM 1053 O GLN A 72 -1.886 -14.962 -0.895 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.300 -16.810 0.312 1.00 0.00 C ATOM 1055 CG GLN A 72 0.299 -18.199 0.466 1.00 0.00 C ATOM 1056 CD GLN A 72 0.011 -18.811 1.823 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -1.067 -19.362 2.052 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.975 -18.719 2.731 1.00 0.00 N ATOM 0 H GLN A 72 2.329 -15.747 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 72 0.420 -16.713 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.122 -16.243 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.380 -16.900 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.097 -18.850 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.377 -18.144 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.852 -18.254 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.838 -19.114 3.662 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.265 -14.033 -2.149 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.113 -12.954 -2.641 1.00 0.00 C ATOM 1069 C ALA A 73 -2.398 -13.501 -3.252 1.00 0.00 C ATOM 1070 O ALA A 73 -2.388 -14.059 -4.348 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.358 -12.113 -3.659 1.00 0.00 C ATOM 0 H ALA A 73 0.692 -14.012 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.385 -12.323 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.003 -11.311 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.528 -11.684 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.058 -12.740 -4.498 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.506 -13.336 -2.535 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.784 -13.819 -3.023 1.00 0.00 C ATOM 1079 C GLY A 74 -5.869 -12.764 -2.949 1.00 0.00 C ATOM 1080 O GLY A 74 -5.656 -11.683 -2.400 1.00 0.00 O ATOM 0 H GLY A 74 -3.541 -12.876 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.673 -14.150 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.087 -14.689 -2.440 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.035 -13.076 -3.506 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.157 -12.144 -3.503 1.00 0.00 C ATOM 1086 C GLN A 75 -8.174 -11.317 -2.221 1.00 0.00 C ATOM 1087 O GLN A 75 -8.199 -10.087 -2.265 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.477 -12.902 -3.652 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.626 -13.608 -4.990 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.551 -12.653 -6.165 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.371 -11.743 -6.293 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.565 -12.855 -7.031 1.00 0.00 N ATOM 0 H GLN A 75 -7.227 -13.966 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.037 -11.467 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.556 -13.638 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.304 -12.203 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.844 -14.361 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.580 -14.134 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.908 -13.621 -6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.465 -12.244 -7.841 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.159 -12.000 -1.082 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.171 -11.328 0.212 1.00 0.00 C ATOM 1103 C ALA A 76 -7.160 -10.188 0.248 1.00 0.00 C ATOM 1104 O ALA A 76 -7.499 -9.056 0.590 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.887 -12.324 1.327 1.00 0.00 C ATOM 0 H ALA A 76 -8.139 -13.018 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.163 -10.903 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.899 -11.808 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.651 -13.102 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.908 -12.776 1.170 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.916 -10.495 -0.107 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.855 -9.495 -0.114 1.00 0.00 C ATOM 1113 C GLU A 77 -5.073 -8.478 -1.230 1.00 0.00 C ATOM 1114 O GLU A 77 -4.720 -7.306 -1.095 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.491 -10.167 -0.280 1.00 0.00 C ATOM 1116 CG GLU A 77 -3.015 -10.896 0.965 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.105 -10.038 2.213 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -2.562 -8.914 2.202 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.720 -10.493 3.201 1.00 0.00 O ATOM 0 H GLU A 77 -5.619 -11.428 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.879 -8.971 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.543 -10.875 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.754 -9.411 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.612 -11.797 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.983 -11.216 0.822 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.655 -8.935 -2.334 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.921 -8.066 -3.474 1.00 0.00 C ATOM 1128 C ALA A 78 -6.837 -6.911 -3.081 1.00 0.00 C ATOM 1129 O ALA A 78 -7.905 -7.120 -2.508 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.535 -8.865 -4.614 1.00 0.00 C ATOM 0 H ALA A 78 -5.951 -9.902 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.973 -7.646 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.729 -8.204 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.845 -9.652 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.472 -9.313 -4.281 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.410 -5.692 -3.394 1.00 0.00 N ATOM 1137 CA GLY A 79 -7.203 -4.521 -3.066 1.00 0.00 C ATOM 1138 C GLY A 79 -6.478 -3.226 -3.369 1.00 0.00 C ATOM 1139 O GLY A 79 -6.119 -2.962 -4.516 1.00 0.00 O ATOM 0 H GLY A 79 -5.529 -5.494 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.137 -4.550 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.465 -4.548 -2.008 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.263 -2.414 -2.338 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.578 -1.137 -2.501 1.00 0.00 C ATOM 1145 C GLU A 80 -4.763 -0.794 -1.258 1.00 0.00 C ATOM 1146 O GLU A 80 -5.319 -0.478 -0.206 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.588 -0.024 -2.786 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.928 0.128 -4.259 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.724 1.385 -4.548 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.330 2.462 -4.053 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.740 1.293 -5.268 1.00 0.00 O ATOM 0 H GLU A 80 -6.553 -2.618 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.897 -1.225 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.503 -0.225 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.190 0.920 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.006 0.145 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.497 -0.741 -4.588 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.443 -0.859 -1.386 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.551 -0.558 -0.273 1.00 0.00 C ATOM 1160 C TYR A 81 -2.089 0.895 -0.322 1.00 0.00 C ATOM 1161 O TYR A 81 -1.793 1.429 -1.391 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.338 -1.491 -0.297 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.690 -2.947 -0.091 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.548 -3.605 -0.964 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.165 -3.664 0.977 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.873 -4.935 -0.779 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.483 -4.994 1.169 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.338 -5.625 0.289 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.658 -6.950 0.477 1.00 0.00 O ATOM 0 H TYR A 81 -2.967 -1.118 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.103 -0.714 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.825 -1.382 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.637 -1.182 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.968 -3.068 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.497 -3.173 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.542 -5.431 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.065 -5.537 2.003 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.274 -7.241 -0.228 1.00 0.00 H new ATOM 1179 N SER A 82 -2.031 1.530 0.845 1.00 0.00 N ATOM 1180 CA SER A 82 -1.609 2.923 0.937 1.00 0.00 C ATOM 1181 C SER A 82 -0.514 3.091 1.986 1.00 0.00 C ATOM 1182 O SER A 82 -0.764 2.965 3.185 1.00 0.00 O ATOM 1183 CB SER A 82 -2.802 3.817 1.280 1.00 0.00 C ATOM 1184 OG SER A 82 -3.912 3.529 0.448 1.00 0.00 O ATOM 0 H SER A 82 -2.271 1.102 1.739 1.00 0.00 H new ATOM 0 HA SER A 82 -1.208 3.220 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.080 3.673 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.520 4.864 1.166 1.00 0.00 H new ATOM 0 HG SER A 82 -4.661 4.113 0.689 1.00 0.00 H new ATOM 1190 N CYS A 83 0.699 3.375 1.525 1.00 0.00 N ATOM 1191 CA CYS A 83 1.834 3.560 2.422 1.00 0.00 C ATOM 1192 C CYS A 83 1.780 4.929 3.092 1.00 0.00 C ATOM 1193 O CYS A 83 2.184 5.933 2.506 1.00 0.00 O ATOM 1194 CB CYS A 83 3.148 3.404 1.655 1.00 0.00 C ATOM 1195 SG CYS A 83 4.624 3.724 2.649 1.00 0.00 S ATOM 0 H CYS A 83 0.922 3.482 0.535 1.00 0.00 H new ATOM 0 HA CYS A 83 1.782 2.795 3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.205 2.392 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.142 4.084 0.803 1.00 0.00 H new ATOM 0 HG CYS A 83 5.685 3.421 1.961 1.00 0.00 H new ATOM 1201 N GLU A 84 1.278 4.961 4.323 1.00 0.00 N ATOM 1202 CA GLU A 84 1.170 6.208 5.070 1.00 0.00 C ATOM 1203 C GLU A 84 2.479 6.528 5.787 1.00 0.00 C ATOM 1204 O GLU A 84 3.250 5.631 6.124 1.00 0.00 O ATOM 1205 CB GLU A 84 0.028 6.123 6.085 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.628 7.462 6.377 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.339 7.483 7.717 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.525 7.096 7.766 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.708 7.888 8.716 1.00 0.00 O ATOM 0 H GLU A 84 0.940 4.139 4.823 1.00 0.00 H new ATOM 0 HA GLU A 84 0.958 7.009 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.728 5.432 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.411 5.705 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.130 8.245 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.343 7.692 5.587 1.00 0.00 H new ATOM 1216 N ALA A 85 2.722 7.815 6.015 1.00 0.00 N ATOM 1217 CA ALA A 85 3.935 8.255 6.692 1.00 0.00 C ATOM 1218 C ALA A 85 3.913 9.760 6.936 1.00 0.00 C ATOM 1219 O ALA A 85 3.966 10.552 5.996 1.00 0.00 O ATOM 1220 CB ALA A 85 5.162 7.868 5.880 1.00 0.00 C ATOM 0 H ALA A 85 2.094 8.571 5.741 1.00 0.00 H new ATOM 0 HA ALA A 85 3.982 7.757 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.061 8.203 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.193 6.785 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.112 8.339 4.898 1.00 0.00 H new ATOM 1226 N GLY A 86 3.834 10.148 8.206 1.00 0.00 N ATOM 1227 CA GLY A 86 3.806 11.557 8.550 1.00 0.00 C ATOM 1228 C GLY A 86 2.459 12.195 8.271 1.00 0.00 C ATOM 1229 O GLY A 86 1.558 12.150 9.107 1.00 0.00 O ATOM 0 H GLY A 86 3.789 9.511 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.049 11.675 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.577 12.081 7.985 1.00 0.00 H new ATOM 1233 N GLY A 87 2.322 12.793 7.091 1.00 0.00 N ATOM 1234 CA GLY A 87 1.074 13.436 6.726 1.00 0.00 C ATOM 1235 C GLY A 87 0.668 13.144 5.295 1.00 0.00 C ATOM 1236 O GLY A 87 -0.232 13.787 4.756 1.00 0.00 O ATOM 0 H GLY A 87 3.053 12.843 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.285 13.101 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.171 14.513 6.860 1.00 0.00 H new ATOM 1240 N GLN A 88 1.334 12.172 4.680 1.00 0.00 N ATOM 1241 CA GLN A 88 1.038 11.798 3.302 1.00 0.00 C ATOM 1242 C GLN A 88 0.988 10.282 3.148 1.00 0.00 C ATOM 1243 O GLN A 88 1.364 9.544 4.058 1.00 0.00 O ATOM 1244 CB GLN A 88 2.087 12.384 2.356 1.00 0.00 C ATOM 1245 CG GLN A 88 2.029 13.899 2.246 1.00 0.00 C ATOM 1246 CD GLN A 88 2.720 14.421 1.002 1.00 0.00 C ATOM 1247 OE1 GLN A 88 2.080 14.978 0.109 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.034 14.244 0.936 1.00 0.00 N ATOM 0 H GLN A 88 2.081 11.630 5.114 1.00 0.00 H new ATOM 0 HA GLN A 88 0.060 12.203 3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.079 12.091 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.953 11.951 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.987 14.219 2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.493 14.341 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.525 13.777 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.553 14.575 0.123 1.00 0.00 H new ATOM 1257 N GLN A 89 0.520 9.824 1.991 1.00 0.00 N ATOM 1258 CA GLN A 89 0.420 8.395 1.719 1.00 0.00 C ATOM 1259 C GLN A 89 0.166 8.139 0.237 1.00 0.00 C ATOM 1260 O GLN A 89 -0.664 8.804 -0.385 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.699 7.773 2.555 1.00 0.00 C ATOM 1262 CG GLN A 89 -2.094 8.155 2.086 1.00 0.00 C ATOM 1263 CD GLN A 89 -3.118 8.110 3.203 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.115 8.956 4.098 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -4.001 7.120 3.157 1.00 0.00 N ATOM 0 H GLN A 89 0.204 10.422 1.227 1.00 0.00 H new ATOM 0 HA GLN A 89 1.368 7.932 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.600 6.688 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.578 8.079 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.068 9.159 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.403 7.480 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.967 6.441 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.714 7.038 3.882 1.00 0.00 H new ATOM 1274 N LEU A 90 0.885 7.173 -0.323 1.00 0.00 N ATOM 1275 CA LEU A 90 0.738 6.829 -1.733 1.00 0.00 C ATOM 1276 C LEU A 90 -0.279 5.707 -1.917 1.00 0.00 C ATOM 1277 O LEU A 90 -0.800 5.163 -0.944 1.00 0.00 O ATOM 1278 CB LEU A 90 2.088 6.411 -2.320 1.00 0.00 C ATOM 1279 CG LEU A 90 3.206 7.450 -2.238 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.563 6.768 -2.152 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.153 8.388 -3.435 1.00 0.00 C ATOM 0 H LEU A 90 1.576 6.614 0.178 1.00 0.00 H new ATOM 0 HA LEU A 90 0.377 7.712 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.420 5.508 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.940 6.147 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 90 3.061 8.041 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.347 7.523 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.599 6.139 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.717 6.152 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.956 9.121 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.272 7.813 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.193 8.903 -3.451 1.00 0.00 H new ATOM 1293 N SER A 91 -0.554 5.365 -3.171 1.00 0.00 N ATOM 1294 CA SER A 91 -1.510 4.309 -3.483 1.00 0.00 C ATOM 1295 C SER A 91 -0.833 3.169 -4.238 1.00 0.00 C ATOM 1296 O SER A 91 0.031 3.398 -5.085 1.00 0.00 O ATOM 1297 CB SER A 91 -2.668 4.868 -4.311 1.00 0.00 C ATOM 1298 OG SER A 91 -2.892 6.236 -4.018 1.00 0.00 O ATOM 0 H SER A 91 -0.129 5.804 -3.988 1.00 0.00 H new ATOM 0 HA SER A 91 -1.901 3.918 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.449 4.752 -5.372 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.574 4.296 -4.107 1.00 0.00 H new ATOM 0 HG SER A 91 -2.246 6.786 -4.508 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.232 1.941 -3.925 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.664 0.764 -4.573 1.00 0.00 C ATOM 1306 C PHE A 92 -1.727 -0.312 -4.774 1.00 0.00 C ATOM 1307 O PHE A 92 -2.130 -0.986 -3.826 1.00 0.00 O ATOM 1308 CB PHE A 92 0.492 0.206 -3.740 1.00 0.00 C ATOM 1309 CG PHE A 92 1.750 1.021 -3.839 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.883 2.202 -3.128 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.799 0.604 -4.643 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.040 2.954 -3.218 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.958 1.352 -4.737 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.079 2.527 -4.022 1.00 0.00 C ATOM 0 H PHE A 92 -1.946 1.735 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.287 1.064 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.184 0.153 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.703 -0.814 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.074 2.539 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.710 -0.316 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.131 3.874 -2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.768 1.018 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.985 3.111 -4.091 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.177 -0.466 -6.015 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.194 -1.458 -6.342 1.00 0.00 C ATOM 1326 C ARG A 93 -2.566 -2.832 -6.550 1.00 0.00 C ATOM 1327 O ARG A 93 -1.725 -3.016 -7.431 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.960 -1.040 -7.598 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.374 -1.595 -7.663 1.00 0.00 C ATOM 1330 CD ARG A 93 -5.373 -3.115 -7.712 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.670 -3.650 -8.120 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.132 -3.587 -9.364 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -6.408 -3.015 -10.316 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.322 -4.096 -9.657 1.00 0.00 N ATOM 0 H ARG A 93 -1.853 0.084 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.889 -1.518 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.004 0.048 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.408 -1.372 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.939 -1.258 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.881 -1.202 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.606 -3.455 -8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.111 -3.509 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.252 -4.096 -7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.493 -2.622 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.766 -2.968 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.882 -4.536 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.676 -4.047 -10.612 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.978 -3.795 -5.733 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.455 -5.154 -5.826 1.00 0.00 C ATOM 1350 C LEU A 94 -3.448 -6.072 -6.533 1.00 0.00 C ATOM 1351 O LEU A 94 -4.520 -6.365 -6.005 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.143 -5.699 -4.431 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.778 -7.182 -4.356 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.696 -7.518 -5.371 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.326 -7.549 -2.950 1.00 0.00 C ATOM 0 H LEU A 94 -3.673 -3.660 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.536 -5.124 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.319 -5.121 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.010 -5.526 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.666 -7.768 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.449 -8.578 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.056 -7.293 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.194 -6.924 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.070 -8.608 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.452 -6.955 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.132 -7.347 -2.244 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.081 -6.524 -7.728 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.939 -7.410 -8.505 1.00 0.00 C ATOM 1369 C GLN A 95 -3.437 -8.849 -8.440 1.00 0.00 C ATOM 1370 O GLN A 95 -2.232 -9.098 -8.459 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.003 -6.945 -9.961 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.649 -5.580 -10.135 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.974 -5.268 -11.583 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.155 -4.702 -12.307 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.175 -5.638 -12.013 1.00 0.00 N ATOM 0 H GLN A 95 -2.196 -6.291 -8.179 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.940 -7.374 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.993 -6.914 -10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.560 -7.678 -10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.564 -5.537 -9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.980 -4.813 -9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.823 -6.105 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.450 -5.455 -12.978 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.370 -9.793 -8.364 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.023 -11.207 -8.297 1.00 0.00 C ATOM 1386 C VAL A 96 -4.650 -11.982 -9.451 1.00 0.00 C ATOM 1387 O VAL A 96 -5.817 -11.782 -9.784 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.476 -11.834 -6.965 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.299 -13.345 -6.999 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.708 -11.225 -5.802 1.00 0.00 C ATOM 0 H VAL A 96 -5.372 -9.604 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.937 -11.270 -8.368 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.535 -11.619 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.624 -13.771 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.897 -13.763 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.248 -13.585 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.041 -11.679 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.642 -11.408 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.891 -10.151 -5.768 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.866 -12.869 -10.056 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.345 -13.677 -11.170 1.00 0.00 C ATOM 1402 C ALA A 97 -5.270 -14.788 -10.685 1.00 0.00 C ATOM 1403 O ALA A 97 -5.517 -14.925 -9.488 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.171 -14.262 -11.941 1.00 0.00 C ATOM 0 H ALA A 97 -2.896 -13.046 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.916 -13.031 -11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.544 -14.863 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.551 -13.454 -12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.576 -14.889 -11.277 1.00 0.00 H new