USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -0.354 K(o=-0.67,f=-1.3) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.318 K(o=-0.67,f=-4.1!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -59:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 13 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.43) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.71) USER MOD Single : A 16 ASN : amide:sc= -0.771 K(o=-0.77,f=-3.8!) USER MOD Single : A 20 SER OG : rot 25:sc= 0.189 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.34) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.984) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0707 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.575 K(o=-0.57,f=-2.4) USER MOD Single : A 55 THR OG1 : rot 17:sc= 1.49 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -2.018 -7.434 -14.895 1.00 10.00 N ATOM 30 CA LYS A 5 -2.816 -8.404 -14.177 1.00 10.00 C ATOM 31 C LYS A 5 -3.379 -7.687 -12.964 1.00 10.00 C ATOM 32 O LYS A 5 -2.898 -6.611 -12.599 1.00 10.00 O ATOM 33 CB LYS A 5 -1.991 -9.639 -13.786 1.00 10.00 C ATOM 34 CG LYS A 5 -0.775 -9.325 -12.898 1.00 10.00 C ATOM 35 CD LYS A 5 0.520 -9.070 -13.683 1.00 10.00 C ATOM 36 CE LYS A 5 1.131 -10.387 -14.185 1.00 10.00 C ATOM 37 NZ LYS A 5 2.348 -10.155 -14.989 1.00 10.00 N ATOM 0 HA LYS A 5 -3.622 -8.785 -14.804 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -2.637 -10.344 -13.263 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.647 -10.135 -14.693 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -0.998 -8.448 -12.290 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -0.614 -10.156 -12.212 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.313 -8.416 -14.530 1.00 10.00 H new ATOM 0 HD3 LYS A 5 1.238 -8.551 -13.048 1.00 10.00 H new ATOM 0 HE2 LYS A 5 1.373 -11.023 -13.334 1.00 10.00 H new ATOM 0 HE3 LYS A 5 0.396 -10.924 -14.785 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 2.731 -11.067 -15.310 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 2.112 -9.569 -15.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.059 -9.665 -14.409 1.00 10.00 H new ATOM 51 N TYR A 6 -4.390 -8.289 -12.352 1.00 10.00 N ATOM 52 CA TYR A 6 -5.090 -7.720 -11.238 1.00 10.00 C ATOM 53 C TYR A 6 -5.032 -8.712 -10.084 1.00 10.00 C ATOM 54 O TYR A 6 -4.852 -9.906 -10.321 1.00 10.00 O ATOM 55 CB TYR A 6 -6.527 -7.441 -11.662 1.00 10.00 C ATOM 56 CG TYR A 6 -6.712 -6.669 -12.954 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.611 -7.329 -14.193 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.036 -5.302 -12.923 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.694 -6.598 -15.389 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.160 -4.576 -14.120 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.948 -5.216 -15.351 1.00 10.00 C ATOM 62 OH TYR A 6 -7.000 -4.499 -16.508 1.00 10.00 O ATOM 0 H TYR A 6 -4.744 -9.204 -12.631 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.638 -6.782 -10.915 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.046 -8.395 -11.757 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.018 -6.889 -10.861 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.469 -8.399 -14.224 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.190 -4.807 -11.975 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.563 -7.097 -16.338 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.418 -3.528 -14.093 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.186 -3.559 -16.302 1.00 10.00 H new ATOM 72 N TYR A 7 -5.179 -8.225 -8.854 1.00 10.00 N ATOM 73 CA TYR A 7 -5.166 -9.047 -7.657 1.00 10.00 C ATOM 74 C TYR A 7 -6.476 -8.803 -6.909 1.00 10.00 C ATOM 75 O TYR A 7 -6.938 -7.664 -6.813 1.00 10.00 O ATOM 76 CB TYR A 7 -3.918 -8.718 -6.827 1.00 10.00 C ATOM 77 CG TYR A 7 -2.621 -8.720 -7.621 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.197 -9.893 -8.271 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.891 -7.528 -7.794 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.064 -9.870 -9.103 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.765 -7.504 -8.633 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.351 -8.674 -9.286 1.00 10.00 C ATOM 83 OH TYR A 7 0.726 -8.641 -10.120 1.00 10.00 O ATOM 0 H TYR A 7 -5.312 -7.232 -8.663 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.106 -10.110 -7.890 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.049 -7.738 -6.369 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.835 -9.441 -6.015 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.743 -10.814 -8.131 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.198 -6.629 -7.280 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.742 -10.772 -9.602 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.218 -6.584 -8.775 1.00 10.00 H new ATOM 0 HH TYR A 7 1.103 -7.736 -10.132 1.00 10.00 H new ATOM 93 N THR A 8 -7.130 -9.876 -6.462 1.00 10.00 N ATOM 94 CA THR A 8 -8.359 -9.796 -5.687 1.00 10.00 C ATOM 95 C THR A 8 -8.005 -9.335 -4.280 1.00 10.00 C ATOM 96 O THR A 8 -6.904 -9.634 -3.809 1.00 10.00 O ATOM 97 CB THR A 8 -8.983 -11.195 -5.620 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.958 -12.098 -5.273 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.581 -11.638 -6.955 1.00 10.00 C ATOM 0 H THR A 8 -6.815 -10.831 -6.632 1.00 10.00 H new ATOM 0 HA THR A 8 -9.062 -9.099 -6.144 1.00 10.00 H new ATOM 0 HB THR A 8 -9.792 -11.175 -4.890 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.325 -13.005 -5.220 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.009 -12.635 -6.849 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.361 -10.938 -7.254 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.800 -11.657 -7.715 1.00 10.00 H new ATOM 107 N LEU A 9 -8.955 -8.694 -3.593 1.00 10.00 N ATOM 108 CA LEU A 9 -8.788 -8.286 -2.207 1.00 10.00 C ATOM 109 C LEU A 9 -8.221 -9.443 -1.390 1.00 10.00 C ATOM 110 O LEU A 9 -7.279 -9.240 -0.646 1.00 10.00 O ATOM 111 CB LEU A 9 -10.117 -7.765 -1.636 1.00 10.00 C ATOM 112 CG LEU A 9 -9.945 -6.439 -0.868 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.290 -5.721 -0.683 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.276 -6.638 0.498 1.00 10.00 C ATOM 0 H LEU A 9 -9.862 -8.446 -3.989 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.074 -7.464 -2.153 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -10.828 -7.621 -2.450 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.543 -8.515 -0.970 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.289 -5.818 -1.478 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.134 -4.790 -0.138 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -11.723 -5.502 -1.659 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -11.970 -6.361 -0.120 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.178 -5.675 0.999 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.886 -7.304 1.108 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.288 -7.077 0.359 1.00 10.00 H new ATOM 126 N GLU A 10 -8.742 -10.657 -1.581 1.00 10.00 N ATOM 127 CA GLU A 10 -8.263 -11.864 -0.906 1.00 10.00 C ATOM 128 C GLU A 10 -6.744 -12.061 -1.046 1.00 10.00 C ATOM 129 O GLU A 10 -6.005 -12.069 -0.061 1.00 10.00 O ATOM 130 CB GLU A 10 -9.028 -13.083 -1.432 1.00 10.00 C ATOM 131 CG GLU A 10 -8.846 -14.299 -0.510 1.00 10.00 C ATOM 132 CD GLU A 10 -9.473 -14.105 0.867 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.559 -13.489 0.918 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.849 -14.576 1.842 1.00 10.00 O ATOM 0 H GLU A 10 -9.519 -10.831 -2.218 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.455 -11.746 0.161 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.088 -12.842 -1.514 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.679 -13.329 -2.435 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.288 -15.176 -0.983 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.782 -14.502 -0.393 1.00 10.00 H new ATOM 141 N GLU A 11 -6.264 -12.236 -2.279 1.00 10.00 N ATOM 142 CA GLU A 11 -4.839 -12.414 -2.539 1.00 10.00 C ATOM 143 C GLU A 11 -4.031 -11.265 -1.924 1.00 10.00 C ATOM 144 O GLU A 11 -3.017 -11.492 -1.272 1.00 10.00 O ATOM 145 CB GLU A 11 -4.560 -12.565 -4.047 1.00 10.00 C ATOM 146 CG GLU A 11 -3.961 -13.938 -4.384 1.00 10.00 C ATOM 147 CD GLU A 11 -4.911 -15.095 -4.088 1.00 10.00 C ATOM 148 OE1 GLU A 11 -5.764 -15.356 -4.962 1.00 10.00 O ATOM 149 OE2 GLU A 11 -4.752 -15.705 -3.006 1.00 10.00 O ATOM 0 H GLU A 11 -6.847 -12.258 -3.116 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.518 -13.339 -2.061 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.487 -12.427 -4.603 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.875 -11.781 -4.370 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.689 -13.960 -5.439 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.042 -14.076 -3.815 1.00 10.00 H new ATOM 156 N ILE A 12 -4.487 -10.025 -2.101 1.00 10.00 N ATOM 157 CA ILE A 12 -3.828 -8.872 -1.494 1.00 10.00 C ATOM 158 C ILE A 12 -3.841 -9.012 0.047 1.00 10.00 C ATOM 159 O ILE A 12 -2.840 -8.742 0.708 1.00 10.00 O ATOM 160 CB ILE A 12 -4.489 -7.575 -2.005 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.469 -7.508 -3.548 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.803 -6.310 -1.462 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.471 -6.481 -4.068 1.00 10.00 C ATOM 0 H ILE A 12 -5.309 -9.795 -2.659 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.779 -8.825 -1.788 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.516 -7.604 -1.641 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.467 -7.249 -3.891 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.703 -8.489 -3.960 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.308 -5.426 -1.853 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.856 -6.306 -0.373 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.759 -6.300 -1.775 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.434 -6.456 -5.157 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.475 -6.756 -3.745 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.220 -5.496 -3.674 1.00 10.00 H new ATOM 175 N GLN A 13 -4.946 -9.494 0.623 1.00 10.00 N ATOM 176 CA GLN A 13 -5.143 -9.755 2.046 1.00 10.00 C ATOM 177 C GLN A 13 -4.152 -10.797 2.544 1.00 10.00 C ATOM 178 O GLN A 13 -3.640 -10.666 3.647 1.00 10.00 O ATOM 179 CB GLN A 13 -6.598 -10.161 2.349 1.00 10.00 C ATOM 180 CG GLN A 13 -7.442 -9.019 2.936 1.00 10.00 C ATOM 181 CD GLN A 13 -7.393 -8.987 4.463 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.532 -10.012 5.121 1.00 10.00 O ATOM 183 NE2 GLN A 13 -7.196 -7.818 5.065 1.00 10.00 N ATOM 0 H GLN A 13 -5.774 -9.725 0.073 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.953 -8.829 2.588 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.067 -10.514 1.431 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.596 -10.997 3.048 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.085 -8.067 2.543 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.476 -9.130 2.610 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -7.081 -6.971 4.509 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.159 -7.768 6.083 1.00 10.00 H new ATOM 192 N LYS A 14 -3.822 -11.809 1.741 1.00 10.00 N ATOM 193 CA LYS A 14 -2.752 -12.727 2.110 1.00 10.00 C ATOM 194 C LYS A 14 -1.403 -12.014 2.297 1.00 10.00 C ATOM 195 O LYS A 14 -0.510 -12.565 2.938 1.00 10.00 O ATOM 196 CB LYS A 14 -2.675 -13.898 1.116 1.00 10.00 C ATOM 197 CG LYS A 14 -3.844 -14.870 1.347 1.00 10.00 C ATOM 198 CD LYS A 14 -3.399 -16.340 1.437 1.00 10.00 C ATOM 199 CE LYS A 14 -3.396 -17.039 0.067 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.631 -18.491 0.205 1.00 10.00 N ATOM 0 H LYS A 14 -4.272 -12.009 0.848 1.00 10.00 H new ATOM 0 HA LYS A 14 -2.995 -13.144 3.087 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.704 -13.519 0.094 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.727 -14.423 1.235 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.360 -14.596 2.267 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.563 -14.764 0.535 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.399 -16.388 1.868 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.064 -16.877 2.114 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -4.167 -16.602 -0.568 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -2.440 -16.869 -0.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.623 -18.935 -0.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -2.881 -18.910 0.792 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.554 -18.652 0.656 1.00 10.00 H new ATOM 214 N HIS A 15 -1.238 -10.795 1.773 1.00 10.00 N ATOM 215 CA HIS A 15 -0.017 -10.019 1.906 1.00 10.00 C ATOM 216 C HIS A 15 -0.223 -8.922 2.959 1.00 10.00 C ATOM 217 O HIS A 15 -0.230 -7.735 2.628 1.00 10.00 O ATOM 218 CB HIS A 15 0.406 -9.448 0.541 1.00 10.00 C ATOM 219 CG HIS A 15 0.837 -10.460 -0.499 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.925 -10.328 -1.334 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.197 -11.621 -0.851 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.948 -11.396 -2.149 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.922 -12.218 -1.886 1.00 10.00 N ATOM 0 H HIS A 15 -1.964 -10.319 1.238 1.00 10.00 H new ATOM 0 HA HIS A 15 0.796 -10.660 2.246 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.427 -8.874 0.136 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.227 -8.749 0.701 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.709 -12.006 -0.406 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.692 -11.569 -2.912 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.712 -13.102 -2.349 1.00 10.00 H new ATOM 231 N ASN A 16 -0.338 -9.326 4.232 1.00 10.00 N ATOM 232 CA ASN A 16 -0.385 -8.412 5.381 1.00 10.00 C ATOM 233 C ASN A 16 0.070 -9.069 6.693 1.00 10.00 C ATOM 234 O ASN A 16 -0.467 -8.759 7.754 1.00 10.00 O ATOM 235 CB ASN A 16 -1.794 -7.814 5.527 1.00 10.00 C ATOM 236 CG ASN A 16 -2.877 -8.852 5.805 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.603 -9.984 6.194 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.131 -8.470 5.583 1.00 10.00 N ATOM 0 H ASN A 16 -0.402 -10.309 4.495 1.00 10.00 H new ATOM 0 HA ASN A 16 0.327 -7.612 5.179 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.787 -7.084 6.337 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.046 -7.275 4.614 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.898 -9.125 5.736 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.326 -7.522 5.260 1.00 10.00 H new ATOM 292 N SER A 20 5.279 -9.445 3.633 1.00 10.00 N ATOM 293 CA SER A 20 4.285 -9.214 2.592 1.00 10.00 C ATOM 294 C SER A 20 3.243 -8.193 3.050 1.00 10.00 C ATOM 295 O SER A 20 2.453 -8.487 3.944 1.00 10.00 O ATOM 296 CB SER A 20 3.661 -10.548 2.187 1.00 10.00 C ATOM 297 OG SER A 20 4.698 -11.420 1.778 1.00 10.00 O ATOM 0 HA SER A 20 4.765 -8.786 1.712 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.111 -10.979 3.024 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.946 -10.402 1.377 1.00 10.00 H new ATOM 0 HG SER A 20 5.539 -11.151 2.204 1.00 10.00 H new ATOM 303 N THR A 21 3.318 -6.983 2.490 1.00 10.00 N ATOM 304 CA THR A 21 2.459 -5.857 2.830 1.00 10.00 C ATOM 305 C THR A 21 2.041 -5.194 1.526 1.00 10.00 C ATOM 306 O THR A 21 2.766 -4.353 0.992 1.00 10.00 O ATOM 307 CB THR A 21 3.180 -4.893 3.786 1.00 10.00 C ATOM 308 OG1 THR A 21 3.267 -5.496 5.065 1.00 10.00 O ATOM 309 CG2 THR A 21 2.437 -3.564 3.956 1.00 10.00 C ATOM 0 H THR A 21 4.000 -6.758 1.766 1.00 10.00 H new ATOM 0 HA THR A 21 1.567 -6.187 3.363 1.00 10.00 H new ATOM 0 HB THR A 21 4.160 -4.689 3.356 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.423 -4.805 5.742 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.991 -2.922 4.641 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.348 -3.070 2.988 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.442 -3.752 4.360 1.00 10.00 H new ATOM 317 N TRP A 22 0.880 -5.607 1.018 1.00 10.00 N ATOM 318 CA TRP A 22 0.217 -4.991 -0.115 1.00 10.00 C ATOM 319 C TRP A 22 -1.047 -4.300 0.378 1.00 10.00 C ATOM 320 O TRP A 22 -1.444 -4.477 1.526 1.00 10.00 O ATOM 321 CB TRP A 22 -0.159 -6.072 -1.118 1.00 10.00 C ATOM 322 CG TRP A 22 0.943 -6.742 -1.869 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.274 -6.583 -1.696 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.796 -7.633 -3.004 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.955 -7.287 -2.663 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.089 -7.949 -3.512 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.316 -8.184 -3.668 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.264 -8.760 -4.643 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.155 -9.033 -4.772 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.131 -9.299 -5.280 1.00 10.00 C ATOM 0 H TRP A 22 0.366 -6.402 1.399 1.00 10.00 H new ATOM 0 HA TRP A 22 0.877 -4.265 -0.590 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.717 -6.842 -0.586 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.840 -5.630 -1.846 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.734 -5.993 -0.917 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.971 -7.316 -2.743 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.311 -7.949 -3.321 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.255 -8.968 -5.020 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.020 -9.485 -5.234 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.248 -9.917 -6.158 1.00 10.00 H new ATOM 341 N LEU A 23 -1.687 -3.512 -0.484 1.00 10.00 N ATOM 342 CA LEU A 23 -2.826 -2.684 -0.132 1.00 10.00 C ATOM 343 C LEU A 23 -3.402 -2.079 -1.405 1.00 10.00 C ATOM 344 O LEU A 23 -2.767 -2.186 -2.454 1.00 10.00 O ATOM 345 CB LEU A 23 -2.441 -1.619 0.900 1.00 10.00 C ATOM 346 CG LEU A 23 -1.067 -0.976 0.658 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.145 0.043 -0.471 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.614 -0.290 1.940 1.00 10.00 C ATOM 0 H LEU A 23 -1.419 -3.434 -1.465 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.595 -3.294 0.342 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.201 -0.837 0.900 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.449 -2.071 1.892 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.353 -1.749 0.374 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.162 0.488 -0.628 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.470 -0.452 -1.386 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.859 0.824 -0.208 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.361 0.171 1.781 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.337 0.477 2.217 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.541 -1.026 2.740 1.00 10.00 H new ATOM 360 N ILE A 24 -4.591 -1.470 -1.310 1.00 10.00 N ATOM 361 CA ILE A 24 -5.308 -0.887 -2.435 1.00 10.00 C ATOM 362 C ILE A 24 -5.468 0.610 -2.193 1.00 10.00 C ATOM 363 O ILE A 24 -6.137 1.030 -1.241 1.00 10.00 O ATOM 364 CB ILE A 24 -6.658 -1.581 -2.677 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.414 -2.999 -3.215 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.480 -0.792 -3.711 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.628 -3.900 -2.992 1.00 10.00 C ATOM 0 H ILE A 24 -5.087 -1.370 -0.424 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.730 -1.040 -3.346 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.205 -1.626 -1.736 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.186 -2.951 -4.280 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.543 -3.431 -2.722 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.434 -1.292 -3.875 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.658 0.217 -3.340 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.930 -0.742 -4.651 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.420 -4.895 -3.385 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.839 -3.968 -1.925 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.492 -3.480 -3.507 1.00 10.00 H new ATOM 379 N LEU A 25 -4.832 1.398 -3.063 1.00 10.00 N ATOM 380 CA LEU A 25 -4.899 2.849 -3.091 1.00 10.00 C ATOM 381 C LEU A 25 -5.525 3.219 -4.433 1.00 10.00 C ATOM 382 O LEU A 25 -4.836 3.282 -5.443 1.00 10.00 O ATOM 383 CB LEU A 25 -3.490 3.449 -2.930 1.00 10.00 C ATOM 384 CG LEU A 25 -2.933 3.707 -1.530 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.606 2.853 -0.478 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.409 3.535 -1.529 1.00 10.00 C ATOM 0 H LEU A 25 -4.232 1.019 -3.796 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.497 3.247 -2.271 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.793 2.785 -3.441 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.477 4.398 -3.466 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.158 4.739 -1.262 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.176 3.073 0.499 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.674 3.070 -0.461 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.454 1.799 -0.713 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.023 3.721 -0.527 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.157 2.519 -1.832 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.962 4.243 -2.227 1.00 10.00 H new ATOM 398 N HIS A 26 -6.838 3.443 -4.456 1.00 10.00 N ATOM 399 CA HIS A 26 -7.587 3.843 -5.642 1.00 10.00 C ATOM 400 C HIS A 26 -7.629 2.713 -6.673 1.00 10.00 C ATOM 401 O HIS A 26 -7.259 2.909 -7.827 1.00 10.00 O ATOM 402 CB HIS A 26 -7.051 5.145 -6.263 1.00 10.00 C ATOM 403 CG HIS A 26 -6.799 6.252 -5.277 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.692 7.223 -4.889 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.618 6.487 -4.628 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.054 8.026 -4.020 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.793 7.609 -3.819 1.00 10.00 N ATOM 0 H HIS A 26 -7.424 3.348 -3.627 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.608 4.047 -5.319 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.121 4.926 -6.788 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.764 5.496 -7.009 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.712 5.907 -4.725 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.496 8.890 -3.547 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.101 8.029 -3.198 1.00 10.00 H new ATOM 415 N TYR A 27 -8.116 1.535 -6.270 1.00 10.00 N ATOM 416 CA TYR A 27 -8.313 0.388 -7.157 1.00 10.00 C ATOM 417 C TYR A 27 -6.990 -0.120 -7.754 1.00 10.00 C ATOM 418 O TYR A 27 -6.997 -0.840 -8.753 1.00 10.00 O ATOM 419 CB TYR A 27 -9.337 0.720 -8.260 1.00 10.00 C ATOM 420 CG TYR A 27 -10.669 1.270 -7.774 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.817 2.638 -7.476 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.783 0.419 -7.666 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.030 3.119 -6.953 1.00 10.00 C ATOM 424 CE2 TYR A 27 -13.001 0.901 -7.161 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.119 2.249 -6.786 1.00 10.00 C ATOM 426 OH TYR A 27 -14.302 2.729 -6.314 1.00 10.00 O ATOM 0 H TYR A 27 -8.388 1.351 -5.304 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.715 -0.425 -6.552 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.890 1.446 -8.939 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.527 -0.184 -8.839 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.997 3.319 -7.650 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.701 -0.613 -7.974 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.124 4.159 -6.679 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.846 0.236 -7.061 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.953 1.998 -6.258 1.00 10.00 H new ATOM 436 N LYS A 28 -5.859 0.245 -7.143 1.00 10.00 N ATOM 437 CA LYS A 28 -4.517 -0.038 -7.621 1.00 10.00 C ATOM 438 C LYS A 28 -3.717 -0.659 -6.488 1.00 10.00 C ATOM 439 O LYS A 28 -3.850 -0.206 -5.349 1.00 10.00 O ATOM 440 CB LYS A 28 -3.860 1.264 -8.072 1.00 10.00 C ATOM 441 CG LYS A 28 -4.542 1.848 -9.305 1.00 10.00 C ATOM 442 CD LYS A 28 -3.497 2.321 -10.312 1.00 10.00 C ATOM 443 CE LYS A 28 -4.185 3.206 -11.359 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.729 2.886 -12.723 1.00 10.00 N ATOM 0 H LYS A 28 -5.862 0.767 -6.267 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.553 -0.729 -8.463 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.896 1.989 -7.259 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.808 1.083 -8.291 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.185 1.097 -9.763 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.182 2.682 -9.015 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.710 2.879 -9.805 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.023 1.466 -10.794 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.265 3.074 -11.295 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.979 4.254 -11.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.441 3.205 -13.411 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.827 3.368 -12.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.597 1.858 -12.813 1.00 10.00 H new ATOM 458 N VAL A 29 -2.919 -1.688 -6.798 1.00 10.00 N ATOM 459 CA VAL A 29 -2.175 -2.433 -5.794 1.00 10.00 C ATOM 460 C VAL A 29 -0.710 -2.000 -5.815 1.00 10.00 C ATOM 461 O VAL A 29 -0.105 -1.898 -6.886 1.00 10.00 O ATOM 462 CB VAL A 29 -2.325 -3.945 -6.007 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.880 -4.702 -4.747 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.783 -4.316 -6.294 1.00 10.00 C ATOM 0 H VAL A 29 -2.776 -2.021 -7.751 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.584 -2.211 -4.808 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.703 -4.221 -6.858 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.990 -5.774 -4.909 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.836 -4.473 -4.535 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.498 -4.397 -3.902 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.862 -5.393 -6.441 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.407 -4.018 -5.451 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.119 -3.801 -7.194 1.00 10.00 H new ATOM 474 N TYR A 30 -0.156 -1.747 -4.628 1.00 10.00 N ATOM 475 CA TYR A 30 1.197 -1.250 -4.436 1.00 10.00 C ATOM 476 C TYR A 30 1.946 -2.237 -3.552 1.00 10.00 C ATOM 477 O TYR A 30 1.534 -2.444 -2.410 1.00 10.00 O ATOM 478 CB TYR A 30 1.128 0.132 -3.775 1.00 10.00 C ATOM 479 CG TYR A 30 0.401 1.151 -4.626 1.00 10.00 C ATOM 480 CD1 TYR A 30 -1.001 1.214 -4.605 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.108 1.880 -5.593 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.679 2.024 -5.530 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.423 2.753 -6.459 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.969 2.843 -6.414 1.00 10.00 C ATOM 485 OH TYR A 30 -1.619 3.652 -7.297 1.00 10.00 O ATOM 0 H TYR A 30 -0.656 -1.888 -3.750 1.00 10.00 H new ATOM 0 HA TYR A 30 1.720 -1.154 -5.388 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.626 0.045 -2.812 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.140 0.486 -3.576 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.557 0.640 -3.879 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.180 1.771 -5.673 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.759 2.015 -5.559 1.00 10.00 H new ATOM 0 HE2 TYR A 30 0.978 3.357 -7.162 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.963 4.149 -7.830 1.00 10.00 H new ATOM 495 N ASP A 31 3.027 -2.842 -4.060 1.00 10.00 N ATOM 496 CA ASP A 31 3.908 -3.608 -3.191 1.00 10.00 C ATOM 497 C ASP A 31 4.831 -2.633 -2.485 1.00 10.00 C ATOM 498 O ASP A 31 5.505 -1.836 -3.137 1.00 10.00 O ATOM 499 CB ASP A 31 4.761 -4.640 -3.932 1.00 10.00 C ATOM 500 CG ASP A 31 5.740 -5.293 -2.961 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.363 -5.438 -1.773 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.850 -5.643 -3.408 1.00 10.00 O ATOM 0 H ASP A 31 3.302 -2.815 -5.042 1.00 10.00 H new ATOM 0 HA ASP A 31 3.277 -4.165 -2.498 1.00 10.00 H new ATOM 0 HB2 ASP A 31 4.121 -5.398 -4.383 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.306 -4.159 -4.744 1.00 10.00 H new ATOM 507 N LEU A 32 4.847 -2.690 -1.157 1.00 10.00 N ATOM 508 CA LEU A 32 5.767 -1.928 -0.346 1.00 10.00 C ATOM 509 C LEU A 32 6.354 -2.849 0.728 1.00 10.00 C ATOM 510 O LEU A 32 6.841 -2.369 1.751 1.00 10.00 O ATOM 511 CB LEU A 32 5.044 -0.723 0.270 1.00 10.00 C ATOM 512 CG LEU A 32 4.042 0.023 -0.651 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.749 0.172 0.144 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.687 1.301 -1.192 1.00 10.00 C ATOM 0 H LEU A 32 4.211 -3.276 -0.616 1.00 10.00 H new ATOM 0 HA LEU A 32 6.584 -1.541 -0.955 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.507 -1.063 1.156 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.795 -0.009 0.607 1.00 10.00 H new ATOM 0 HG LEU A 32 3.780 -0.517 -1.561 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.007 0.693 -0.462 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.371 -0.815 0.412 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.943 0.744 1.051 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.979 1.821 -1.838 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.963 1.949 -0.360 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.579 1.045 -1.764 1.00 10.00 H new ATOM 526 N THR A 33 6.326 -4.172 0.510 1.00 10.00 N ATOM 527 CA THR A 33 6.805 -5.149 1.486 1.00 10.00 C ATOM 528 C THR A 33 8.251 -4.865 1.873 1.00 10.00 C ATOM 529 O THR A 33 8.637 -4.941 3.039 1.00 10.00 O ATOM 530 CB THR A 33 6.638 -6.570 0.929 1.00 10.00 C ATOM 531 OG1 THR A 33 6.884 -7.516 1.942 1.00 10.00 O ATOM 532 CG2 THR A 33 7.570 -6.940 -0.215 1.00 10.00 C ATOM 0 H THR A 33 5.970 -4.590 -0.349 1.00 10.00 H new ATOM 0 HA THR A 33 6.206 -5.066 2.393 1.00 10.00 H new ATOM 0 HB THR A 33 5.615 -6.582 0.552 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.932 -8.412 1.548 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.368 -7.963 -0.532 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.406 -6.261 -1.052 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.605 -6.861 0.119 1.00 10.00 H new ATOM 540 N LYS A 34 9.052 -4.493 0.875 1.00 10.00 N ATOM 541 CA LYS A 34 10.455 -4.176 1.058 1.00 10.00 C ATOM 542 C LYS A 34 10.645 -2.672 1.261 1.00 10.00 C ATOM 543 O LYS A 34 11.738 -2.161 1.034 1.00 10.00 O ATOM 544 CB LYS A 34 11.265 -4.733 -0.126 1.00 10.00 C ATOM 545 CG LYS A 34 12.438 -5.556 0.411 1.00 10.00 C ATOM 546 CD LYS A 34 13.405 -5.938 -0.712 1.00 10.00 C ATOM 547 CE LYS A 34 14.433 -6.960 -0.196 1.00 10.00 C ATOM 548 NZ LYS A 34 15.822 -6.581 -0.529 1.00 10.00 N ATOM 0 H LYS A 34 8.735 -4.404 -0.090 1.00 10.00 H new ATOM 0 HA LYS A 34 10.831 -4.654 1.963 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.629 -5.353 -0.758 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.632 -3.916 -0.747 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.968 -4.984 1.173 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.062 -6.458 0.894 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.852 -6.358 -1.552 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.917 -5.049 -1.080 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.335 -7.055 0.885 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.214 -7.939 -0.623 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.476 -7.301 -0.160 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.926 -6.516 -1.562 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.043 -5.660 -0.100 1.00 10.00 H new ATOM 562 N PHE A 35 9.589 -1.972 1.691 1.00 10.00 N ATOM 563 CA PHE A 35 9.596 -0.537 1.908 1.00 10.00 C ATOM 564 C PHE A 35 8.941 -0.175 3.241 1.00 10.00 C ATOM 565 O PHE A 35 8.596 0.979 3.465 1.00 10.00 O ATOM 566 CB PHE A 35 8.883 0.155 0.744 1.00 10.00 C ATOM 567 CG PHE A 35 9.494 1.486 0.353 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.846 1.551 -0.038 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.735 2.670 0.436 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.436 2.791 -0.335 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.322 3.908 0.118 1.00 10.00 C ATOM 572 CZ PHE A 35 10.670 3.968 -0.277 1.00 10.00 C ATOM 0 H PHE A 35 8.690 -2.406 1.900 1.00 10.00 H new ATOM 0 HA PHE A 35 10.629 -0.193 1.952 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.895 -0.507 -0.122 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.838 0.311 1.012 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.430 0.645 -0.110 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.701 2.627 0.744 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.480 2.840 -0.608 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.737 4.814 0.177 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.116 4.917 -0.535 1.00 10.00 H new ATOM 582 N LEU A 36 8.750 -1.149 4.132 1.00 10.00 N ATOM 583 CA LEU A 36 8.031 -0.935 5.378 1.00 10.00 C ATOM 584 C LEU A 36 8.807 0.019 6.282 1.00 10.00 C ATOM 585 O LEU A 36 8.309 1.079 6.646 1.00 10.00 O ATOM 586 CB LEU A 36 7.800 -2.285 6.064 1.00 10.00 C ATOM 587 CG LEU A 36 6.849 -3.167 5.252 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.877 -4.602 5.779 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.426 -2.597 5.277 1.00 10.00 C ATOM 0 H LEU A 36 9.090 -2.103 4.007 1.00 10.00 H new ATOM 0 HA LEU A 36 7.064 -0.477 5.170 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.753 -2.797 6.193 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.388 -2.123 7.060 1.00 10.00 H new ATOM 0 HG LEU A 36 7.184 -3.178 4.215 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.196 -5.218 5.192 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.888 -5.000 5.697 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.567 -4.612 6.824 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.766 -3.239 4.694 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.070 -2.551 6.306 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.428 -1.595 4.849 1.00 10.00 H new ATOM 601 N GLU A 37 10.034 -0.375 6.633 1.00 10.00 N ATOM 602 CA GLU A 37 10.933 0.446 7.432 1.00 10.00 C ATOM 603 C GLU A 37 11.322 1.703 6.646 1.00 10.00 C ATOM 604 O GLU A 37 11.491 2.776 7.219 1.00 10.00 O ATOM 605 CB GLU A 37 12.181 -0.365 7.837 1.00 10.00 C ATOM 606 CG GLU A 37 12.332 -0.474 9.362 1.00 10.00 C ATOM 607 CD GLU A 37 13.768 -0.803 9.753 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.623 0.087 9.554 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.989 -1.943 10.216 1.00 10.00 O ATOM 0 H GLU A 37 10.429 -1.277 6.367 1.00 10.00 H new ATOM 0 HA GLU A 37 10.424 0.754 8.345 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.118 -1.365 7.407 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.070 0.106 7.418 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.032 0.465 9.828 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.663 -1.246 9.742 1.00 10.00 H new ATOM 616 N GLU A 38 11.478 1.562 5.325 1.00 10.00 N ATOM 617 CA GLU A 38 11.931 2.637 4.463 1.00 10.00 C ATOM 618 C GLU A 38 10.906 3.768 4.436 1.00 10.00 C ATOM 619 O GLU A 38 11.279 4.932 4.547 1.00 10.00 O ATOM 620 CB GLU A 38 12.177 2.102 3.052 1.00 10.00 C ATOM 621 CG GLU A 38 13.268 1.018 3.001 1.00 10.00 C ATOM 622 CD GLU A 38 14.357 1.374 1.995 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.058 1.299 0.784 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.464 1.726 2.454 1.00 10.00 O ATOM 0 H GLU A 38 11.290 0.690 4.830 1.00 10.00 H new ATOM 0 HA GLU A 38 12.866 3.035 4.857 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.247 1.692 2.658 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.463 2.928 2.401 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.709 0.897 3.990 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.820 0.061 2.732 1.00 10.00 H new ATOM 631 N HIS A 39 9.624 3.427 4.260 1.00 10.00 N ATOM 632 CA HIS A 39 8.534 4.392 4.161 1.00 10.00 C ATOM 633 C HIS A 39 8.535 5.299 5.398 1.00 10.00 C ATOM 634 O HIS A 39 8.167 4.843 6.485 1.00 10.00 O ATOM 635 CB HIS A 39 7.194 3.663 4.020 1.00 10.00 C ATOM 636 CG HIS A 39 5.968 4.537 4.180 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.116 4.474 5.254 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.449 5.452 3.294 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.105 5.321 5.016 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.255 5.957 3.838 1.00 10.00 N ATOM 0 H HIS A 39 9.315 2.458 4.182 1.00 10.00 H new ATOM 0 HA HIS A 39 8.678 5.010 3.275 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.158 3.189 3.039 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.152 2.865 4.762 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.883 5.733 2.346 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.272 5.475 5.686 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.635 6.656 3.428 1.00 10.00 H new ATOM 648 N PRO A 40 8.918 6.579 5.256 1.00 10.00 N ATOM 649 CA PRO A 40 9.064 7.478 6.382 1.00 10.00 C ATOM 650 C PRO A 40 7.676 7.925 6.840 1.00 10.00 C ATOM 651 O PRO A 40 7.224 9.029 6.546 1.00 10.00 O ATOM 652 CB PRO A 40 9.958 8.614 5.882 1.00 10.00 C ATOM 653 CG PRO A 40 9.701 8.665 4.375 1.00 10.00 C ATOM 654 CD PRO A 40 9.258 7.248 4.007 1.00 10.00 C ATOM 0 HA PRO A 40 9.527 7.026 7.259 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.704 9.560 6.361 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.008 8.419 6.100 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.931 9.397 4.129 1.00 10.00 H new ATOM 0 HG3 PRO A 40 10.600 8.953 3.830 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.400 7.273 3.335 1.00 10.00 H new ATOM 0 HD3 PRO A 40 10.055 6.716 3.487 1.00 10.00 H new ATOM 662 N GLY A 41 6.997 7.029 7.555 1.00 10.00 N ATOM 663 CA GLY A 41 5.657 7.247 8.061 1.00 10.00 C ATOM 664 C GLY A 41 5.312 6.267 9.173 1.00 10.00 C ATOM 665 O GLY A 41 4.707 6.652 10.171 1.00 10.00 O ATOM 0 H GLY A 41 7.377 6.115 7.800 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.570 8.267 8.434 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.939 7.143 7.248 1.00 10.00 H new ATOM 669 N GLY A 42 5.697 5.000 9.004 1.00 10.00 N ATOM 670 CA GLY A 42 5.496 3.967 10.003 1.00 10.00 C ATOM 671 C GLY A 42 5.279 2.630 9.304 1.00 10.00 C ATOM 672 O GLY A 42 4.352 2.473 8.505 1.00 10.00 O ATOM 0 H GLY A 42 6.161 4.667 8.159 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.361 3.910 10.663 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.635 4.209 10.626 1.00 10.00 H new ATOM 676 N GLU A 43 6.135 1.664 9.617 1.00 10.00 N ATOM 677 CA GLU A 43 6.016 0.297 9.157 1.00 10.00 C ATOM 678 C GLU A 43 4.725 -0.300 9.708 1.00 10.00 C ATOM 679 O GLU A 43 3.986 -0.965 8.984 1.00 10.00 O ATOM 680 CB GLU A 43 7.269 -0.513 9.541 1.00 10.00 C ATOM 681 CG GLU A 43 7.548 -0.756 11.034 1.00 10.00 C ATOM 682 CD GLU A 43 7.966 0.512 11.758 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.036 1.299 12.048 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.184 0.688 11.952 1.00 10.00 O ATOM 0 H GLU A 43 6.948 1.820 10.212 1.00 10.00 H new ATOM 0 HA GLU A 43 5.958 0.265 8.069 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.200 -1.485 9.053 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.136 -0.005 9.119 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.654 -1.163 11.506 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.333 -1.506 11.137 1.00 10.00 H new ATOM 691 N ALA A 44 4.445 -0.039 10.989 1.00 10.00 N ATOM 692 CA ALA A 44 3.237 -0.516 11.646 1.00 10.00 C ATOM 693 C ALA A 44 1.992 -0.026 10.911 1.00 10.00 C ATOM 694 O ALA A 44 1.180 -0.851 10.499 1.00 10.00 O ATOM 695 CB ALA A 44 3.218 -0.091 13.115 1.00 10.00 C ATOM 0 H ALA A 44 5.054 0.510 11.595 1.00 10.00 H new ATOM 0 HA ALA A 44 3.235 -1.606 11.613 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.307 -0.457 13.588 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.085 -0.509 13.626 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.248 0.997 13.180 1.00 10.00 H new ATOM 701 N VAL A 45 1.830 1.290 10.720 1.00 10.00 N ATOM 702 CA VAL A 45 0.681 1.790 9.971 1.00 10.00 C ATOM 703 C VAL A 45 0.663 1.175 8.574 1.00 10.00 C ATOM 704 O VAL A 45 -0.398 0.696 8.164 1.00 10.00 O ATOM 705 CB VAL A 45 0.559 3.326 9.974 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.738 4.034 9.307 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.740 3.769 9.283 1.00 10.00 C ATOM 0 H VAL A 45 2.466 2.009 11.066 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.221 1.464 10.489 1.00 10.00 H new ATOM 0 HB VAL A 45 0.553 3.616 11.025 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.584 5.112 9.346 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.659 3.780 9.831 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.813 3.716 8.267 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.806 4.857 9.296 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.741 3.418 8.251 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.595 3.347 9.811 1.00 10.00 H new ATOM 717 N LEU A 46 1.803 1.120 7.860 1.00 10.00 N ATOM 718 CA LEU A 46 1.771 0.446 6.568 1.00 10.00 C ATOM 719 C LEU A 46 1.256 -0.996 6.677 1.00 10.00 C ATOM 720 O LEU A 46 0.580 -1.466 5.767 1.00 10.00 O ATOM 721 CB LEU A 46 3.133 0.500 5.860 1.00 10.00 C ATOM 722 CG LEU A 46 3.076 1.391 4.614 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.475 1.517 4.007 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.146 0.813 3.543 1.00 10.00 C ATOM 0 H LEU A 46 2.702 1.511 8.140 1.00 10.00 H new ATOM 0 HA LEU A 46 1.059 0.995 5.951 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.888 0.880 6.548 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.438 -0.507 5.576 1.00 10.00 H new ATOM 0 HG LEU A 46 2.694 2.363 4.928 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.432 2.151 3.121 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.150 1.961 4.738 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.841 0.529 3.728 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.134 1.474 2.677 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.504 -0.172 3.243 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.137 0.725 3.946 1.00 10.00 H new ATOM 736 N ARG A 47 1.551 -1.692 7.780 1.00 10.00 N ATOM 737 CA ARG A 47 1.132 -3.071 7.982 1.00 10.00 C ATOM 738 C ARG A 47 -0.361 -3.131 8.283 1.00 10.00 C ATOM 739 O ARG A 47 -1.091 -3.921 7.699 1.00 10.00 O ATOM 740 CB ARG A 47 1.932 -3.724 9.124 1.00 10.00 C ATOM 741 CG ARG A 47 2.571 -5.052 8.690 1.00 10.00 C ATOM 742 CD ARG A 47 4.076 -4.900 8.438 1.00 10.00 C ATOM 743 NE ARG A 47 4.835 -5.314 9.632 1.00 10.00 N ATOM 744 CZ ARG A 47 6.071 -4.927 9.985 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.717 -3.993 9.285 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.658 -5.477 11.054 1.00 10.00 N ATOM 0 H ARG A 47 2.089 -1.308 8.557 1.00 10.00 H new ATOM 0 HA ARG A 47 1.329 -3.626 7.065 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.711 -3.039 9.459 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.273 -3.899 9.975 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.405 -5.805 9.460 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.084 -5.411 7.783 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.372 -5.506 7.582 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.308 -3.864 8.191 1.00 10.00 H new ATOM 0 HE ARG A 47 4.369 -5.968 10.261 1.00 10.00 H new ATOM 0 HH11 ARG A 47 6.272 -3.566 8.473 1.00 10.00 H new ATOM 0 HH12 ARG A 47 7.656 -3.706 9.562 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.167 -6.187 11.597 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.597 -5.186 11.326 1.00 10.00 H new ATOM 760 N ALA A 48 -0.827 -2.303 9.212 1.00 10.00 N ATOM 761 CA ALA A 48 -2.209 -2.315 9.659 1.00 10.00 C ATOM 762 C ALA A 48 -3.150 -1.942 8.513 1.00 10.00 C ATOM 763 O ALA A 48 -4.233 -2.503 8.386 1.00 10.00 O ATOM 764 CB ALA A 48 -2.340 -1.355 10.836 1.00 10.00 C ATOM 0 H ALA A 48 -0.250 -1.602 9.677 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.493 -3.316 9.983 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.372 -1.349 11.187 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.683 -1.678 11.644 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.059 -0.351 10.519 1.00 10.00 H new ATOM 770 N GLN A 49 -2.722 -0.997 7.674 1.00 10.00 N ATOM 771 CA GLN A 49 -3.419 -0.632 6.456 1.00 10.00 C ATOM 772 C GLN A 49 -3.168 -1.627 5.319 1.00 10.00 C ATOM 773 O GLN A 49 -3.819 -1.548 4.276 1.00 10.00 O ATOM 774 CB GLN A 49 -2.948 0.774 6.085 1.00 10.00 C ATOM 775 CG GLN A 49 -3.538 1.823 7.036 1.00 10.00 C ATOM 776 CD GLN A 49 -5.061 1.843 6.975 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.629 2.244 5.968 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.735 1.404 8.033 1.00 10.00 N ATOM 0 H GLN A 49 -1.869 -0.461 7.831 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.496 -0.653 6.620 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.859 0.817 6.121 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.242 1.001 5.060 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.217 1.612 8.056 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.150 2.808 6.778 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.232 1.076 8.858 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.755 1.395 8.020 1.00 10.00 H new ATOM 787 N ALA A 50 -2.237 -2.567 5.494 1.00 10.00 N ATOM 788 CA ALA A 50 -2.037 -3.619 4.519 1.00 10.00 C ATOM 789 C ALA A 50 -3.277 -4.500 4.442 1.00 10.00 C ATOM 790 O ALA A 50 -3.971 -4.717 5.433 1.00 10.00 O ATOM 791 CB ALA A 50 -0.809 -4.470 4.831 1.00 10.00 C ATOM 0 H ALA A 50 -1.616 -2.614 6.302 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.865 -3.141 3.554 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.701 -5.245 4.072 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.080 -3.839 4.834 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.928 -4.935 5.810 1.00 10.00 H new ATOM 797 N GLY A 51 -3.534 -5.043 3.259 1.00 10.00 N ATOM 798 CA GLY A 51 -4.574 -6.022 3.039 1.00 10.00 C ATOM 799 C GLY A 51 -5.338 -5.711 1.767 1.00 10.00 C ATOM 800 O GLY A 51 -5.634 -6.617 0.996 1.00 10.00 O ATOM 0 H GLY A 51 -3.013 -4.807 2.415 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.136 -7.018 2.972 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.258 -6.031 3.888 1.00 10.00 H new ATOM 804 N GLY A 52 -5.655 -4.433 1.542 1.00 10.00 N ATOM 805 CA GLY A 52 -6.375 -4.024 0.348 1.00 10.00 C ATOM 806 C GLY A 52 -7.509 -3.047 0.631 1.00 10.00 C ATOM 807 O GLY A 52 -8.566 -3.158 0.020 1.00 10.00 O ATOM 0 H GLY A 52 -5.421 -3.668 2.175 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.675 -3.565 -0.350 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.781 -4.908 -0.143 1.00 10.00 H new ATOM 811 N ASP A 53 -7.291 -2.068 1.513 1.00 10.00 N ATOM 812 CA ASP A 53 -8.281 -1.031 1.766 1.00 10.00 C ATOM 813 C ASP A 53 -7.631 0.085 2.577 1.00 10.00 C ATOM 814 O ASP A 53 -7.748 0.123 3.800 1.00 10.00 O ATOM 815 CB ASP A 53 -9.512 -1.599 2.492 1.00 10.00 C ATOM 816 CG ASP A 53 -10.670 -0.608 2.473 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.430 0.562 2.094 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.787 -1.048 2.817 1.00 10.00 O ATOM 0 H ASP A 53 -6.436 -1.976 2.061 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.631 -0.630 0.815 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.820 -2.531 2.017 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.251 -1.838 3.523 1.00 10.00 H new ATOM 823 N ALA A 54 -6.875 0.956 1.905 1.00 10.00 N ATOM 824 CA ALA A 54 -6.207 2.060 2.583 1.00 10.00 C ATOM 825 C ALA A 54 -6.236 3.331 1.748 1.00 10.00 C ATOM 826 O ALA A 54 -5.441 4.238 1.978 1.00 10.00 O ATOM 827 CB ALA A 54 -4.775 1.650 2.915 1.00 10.00 C ATOM 0 H ALA A 54 -6.713 0.916 0.899 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.742 2.281 3.507 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.270 2.472 3.422 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.788 0.775 3.565 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.243 1.410 1.995 1.00 10.00 H new ATOM 833 N THR A 55 -7.148 3.412 0.779 1.00 10.00 N ATOM 834 CA THR A 55 -7.222 4.547 -0.125 1.00 10.00 C ATOM 835 C THR A 55 -7.534 5.816 0.670 1.00 10.00 C ATOM 836 O THR A 55 -6.770 6.783 0.656 1.00 10.00 O ATOM 837 CB THR A 55 -8.260 4.240 -1.213 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.933 3.040 -1.894 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.289 5.365 -2.243 1.00 10.00 C ATOM 0 H THR A 55 -7.851 2.694 0.604 1.00 10.00 H new ATOM 0 HA THR A 55 -6.268 4.721 -0.623 1.00 10.00 H new ATOM 0 HB THR A 55 -9.230 4.140 -0.725 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.287 2.528 -1.363 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.029 5.137 -3.010 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.553 6.302 -1.752 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.306 5.462 -2.704 1.00 10.00 H new ATOM 847 N ALA A 56 -8.647 5.785 1.405 1.00 10.00 N ATOM 848 CA ALA A 56 -9.064 6.896 2.243 1.00 10.00 C ATOM 849 C ALA A 56 -7.967 7.249 3.244 1.00 10.00 C ATOM 850 O ALA A 56 -7.667 8.420 3.438 1.00 10.00 O ATOM 851 CB ALA A 56 -10.373 6.537 2.952 1.00 10.00 C ATOM 0 H ALA A 56 -9.281 4.986 1.432 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.237 7.775 1.622 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.686 7.370 3.581 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.145 6.332 2.210 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.221 5.653 3.571 1.00 10.00 H new ATOM 857 N ASN A 57 -7.361 6.244 3.876 1.00 10.00 N ATOM 858 CA ASN A 57 -6.356 6.458 4.911 1.00 10.00 C ATOM 859 C ASN A 57 -5.099 7.122 4.334 1.00 10.00 C ATOM 860 O ASN A 57 -4.577 8.081 4.903 1.00 10.00 O ATOM 861 CB ASN A 57 -6.036 5.123 5.598 1.00 10.00 C ATOM 862 CG ASN A 57 -6.094 5.226 7.120 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.923 4.591 7.761 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.228 6.034 7.724 1.00 10.00 N ATOM 0 H ASN A 57 -7.554 5.261 3.684 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.753 7.143 5.660 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.742 4.365 5.260 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.043 4.791 5.296 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.246 6.134 8.739 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.546 6.554 7.172 1.00 10.00 H new ATOM 871 N PHE A 58 -4.619 6.611 3.196 1.00 10.00 N ATOM 872 CA PHE A 58 -3.493 7.148 2.442 1.00 10.00 C ATOM 873 C PHE A 58 -3.715 8.631 2.136 1.00 10.00 C ATOM 874 O PHE A 58 -2.871 9.481 2.444 1.00 10.00 O ATOM 875 CB PHE A 58 -3.358 6.327 1.150 1.00 10.00 C ATOM 876 CG PHE A 58 -2.432 6.900 0.097 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.051 6.930 0.327 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.941 7.341 -1.140 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.174 7.385 -0.673 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.068 7.814 -2.134 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.683 7.836 -1.901 1.00 10.00 C ATOM 0 H PHE A 58 -5.023 5.781 2.762 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.573 7.074 3.022 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.006 5.329 1.411 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.349 6.211 0.711 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.658 6.602 1.278 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.005 7.316 -1.325 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.891 7.388 -0.496 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.462 8.161 -3.078 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.011 8.199 -2.665 1.00 10.00 H new ATOM 891 N GLU A 59 -4.865 8.936 1.532 1.00 10.00 N ATOM 892 CA GLU A 59 -5.224 10.302 1.187 1.00 10.00 C ATOM 893 C GLU A 59 -5.381 11.160 2.446 1.00 10.00 C ATOM 894 O GLU A 59 -4.921 12.297 2.472 1.00 10.00 O ATOM 895 CB GLU A 59 -6.496 10.298 0.337 1.00 10.00 C ATOM 896 CG GLU A 59 -6.214 9.745 -1.069 1.00 10.00 C ATOM 897 CD GLU A 59 -5.746 10.821 -2.064 1.00 10.00 C ATOM 898 OE1 GLU A 59 -6.525 11.760 -2.343 1.00 10.00 O ATOM 899 OE2 GLU A 59 -4.600 10.727 -2.552 1.00 10.00 O ATOM 0 H GLU A 59 -5.567 8.243 1.272 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.422 10.748 0.599 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.261 9.693 0.823 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.891 11.311 0.261 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.453 8.968 -1.000 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.118 9.273 -1.454 1.00 10.00 H new ATOM 906 N ALA A 60 -6.024 10.619 3.486 1.00 10.00 N ATOM 907 CA ALA A 60 -6.260 11.316 4.744 1.00 10.00 C ATOM 908 C ALA A 60 -4.946 11.785 5.358 1.00 10.00 C ATOM 909 O ALA A 60 -4.854 12.925 5.806 1.00 10.00 O ATOM 910 CB ALA A 60 -7.016 10.424 5.734 1.00 10.00 C ATOM 0 H ALA A 60 -6.399 9.670 3.472 1.00 10.00 H new ATOM 0 HA ALA A 60 -6.876 12.189 4.528 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.179 10.969 6.664 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.978 10.140 5.307 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.430 9.527 5.937 1.00 10.00 H new ATOM 916 N VAL A 61 -3.936 10.909 5.389 1.00 10.00 N ATOM 917 CA VAL A 61 -2.607 11.313 5.825 1.00 10.00 C ATOM 918 C VAL A 61 -2.104 12.470 4.959 1.00 10.00 C ATOM 919 O VAL A 61 -1.667 13.491 5.486 1.00 10.00 O ATOM 920 CB VAL A 61 -1.645 10.117 5.801 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.204 10.604 5.974 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.985 9.143 6.936 1.00 10.00 C ATOM 0 H VAL A 61 -4.017 9.929 5.120 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.657 11.665 6.856 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.747 9.607 4.843 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.473 9.750 5.956 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.050 11.286 5.162 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.108 11.124 6.927 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.296 8.299 6.909 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.895 9.655 7.894 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.006 8.782 6.812 1.00 10.00 H new ATOM 932 N GLY A 62 -2.170 12.302 3.637 1.00 10.00 N ATOM 933 CA GLY A 62 -1.724 13.317 2.697 1.00 10.00 C ATOM 934 C GLY A 62 -0.374 12.922 2.119 1.00 10.00 C ATOM 935 O GLY A 62 0.509 12.466 2.840 1.00 10.00 O ATOM 0 H GLY A 62 -2.534 11.458 3.194 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.454 13.431 1.896 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.648 14.282 3.198 1.00 10.00 H new ATOM 939 N HIS A 63 -0.246 13.057 0.800 1.00 10.00 N ATOM 940 CA HIS A 63 0.893 12.596 0.034 1.00 10.00 C ATOM 941 C HIS A 63 1.009 13.545 -1.169 1.00 10.00 C ATOM 942 O HIS A 63 0.063 13.664 -1.956 1.00 10.00 O ATOM 943 CB HIS A 63 0.655 11.118 -0.337 1.00 10.00 C ATOM 944 CG HIS A 63 0.805 10.153 0.832 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.172 9.709 1.703 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.960 9.508 1.181 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.400 8.821 2.545 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.699 8.635 2.252 1.00 10.00 N ATOM 0 H HIS A 63 -0.959 13.505 0.224 1.00 10.00 H new ATOM 0 HA HIS A 63 1.839 12.620 0.575 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.347 11.016 -0.753 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.356 10.834 -1.122 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.150 10.000 1.709 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.921 9.647 0.708 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.120 8.324 3.351 1.00 10.00 H new ATOM 956 N SER A 64 2.118 14.292 -1.253 1.00 10.00 N ATOM 957 CA SER A 64 2.344 15.300 -2.289 1.00 10.00 C ATOM 958 C SER A 64 2.488 14.657 -3.674 1.00 10.00 C ATOM 959 O SER A 64 2.606 13.443 -3.787 1.00 10.00 O ATOM 960 CB SER A 64 3.585 16.133 -1.935 1.00 10.00 C ATOM 961 OG SER A 64 3.349 16.883 -0.759 1.00 10.00 O ATOM 0 H SER A 64 2.891 14.210 -0.593 1.00 10.00 H new ATOM 0 HA SER A 64 1.476 15.958 -2.330 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.444 15.477 -1.791 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.830 16.803 -2.759 1.00 10.00 H new ATOM 0 HG SER A 64 4.147 17.409 -0.541 1.00 10.00 H new ATOM 967 N THR A 65 2.488 15.471 -4.735 1.00 10.00 N ATOM 968 CA THR A 65 2.624 15.044 -6.130 1.00 10.00 C ATOM 969 C THR A 65 3.724 13.991 -6.287 1.00 10.00 C ATOM 970 O THR A 65 3.479 12.887 -6.763 1.00 10.00 O ATOM 971 CB THR A 65 2.926 16.275 -7.000 1.00 10.00 C ATOM 972 OG1 THR A 65 4.027 16.970 -6.443 1.00 10.00 O ATOM 973 CG2 THR A 65 1.721 17.221 -7.107 1.00 10.00 C ATOM 0 H THR A 65 2.390 16.482 -4.641 1.00 10.00 H new ATOM 0 HA THR A 65 1.690 14.585 -6.452 1.00 10.00 H new ATOM 0 HB THR A 65 3.157 15.928 -8.007 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.229 17.756 -6.992 1.00 10.00 H new ATOM 0 HG21 THR A 65 1.983 18.075 -7.731 1.00 10.00 H new ATOM 0 HG22 THR A 65 0.880 16.690 -7.553 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.443 17.570 -6.113 1.00 10.00 H new ATOM 981 N ASP A 66 4.928 14.339 -5.843 1.00 10.00 N ATOM 982 CA ASP A 66 6.090 13.462 -5.835 1.00 10.00 C ATOM 983 C ASP A 66 5.746 12.079 -5.269 1.00 10.00 C ATOM 984 O ASP A 66 5.968 11.054 -5.905 1.00 10.00 O ATOM 985 CB ASP A 66 7.199 14.133 -5.015 1.00 10.00 C ATOM 986 CG ASP A 66 8.567 13.823 -5.599 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.911 12.624 -5.620 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.235 14.794 -6.015 1.00 10.00 O ATOM 0 H ASP A 66 5.126 15.267 -5.468 1.00 10.00 H new ATOM 0 HA ASP A 66 6.431 13.305 -6.858 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.042 15.212 -4.998 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.153 13.788 -3.982 1.00 10.00 H new ATOM 993 N ALA A 67 5.127 12.054 -4.087 1.00 10.00 N ATOM 994 CA ALA A 67 4.734 10.820 -3.406 1.00 10.00 C ATOM 995 C ALA A 67 3.628 10.097 -4.212 1.00 10.00 C ATOM 996 O ALA A 67 3.642 8.872 -4.350 1.00 10.00 O ATOM 997 CB ALA A 67 4.196 11.187 -2.020 1.00 10.00 C ATOM 0 H ALA A 67 4.882 12.899 -3.571 1.00 10.00 H new ATOM 0 HA ALA A 67 5.594 10.156 -3.319 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.897 10.280 -1.494 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.974 11.697 -1.451 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.334 11.846 -2.127 1.00 10.00 H new ATOM 1003 N ARG A 68 2.651 10.852 -4.740 1.00 10.00 N ATOM 1004 CA ARG A 68 1.576 10.343 -5.592 1.00 10.00 C ATOM 1005 C ARG A 68 2.165 9.655 -6.828 1.00 10.00 C ATOM 1006 O ARG A 68 1.652 8.626 -7.263 1.00 10.00 O ATOM 1007 CB ARG A 68 0.617 11.478 -6.008 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.354 11.900 -4.895 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.879 13.329 -5.098 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.964 13.633 -4.144 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.278 13.395 -4.341 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.697 12.933 -5.525 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.173 13.622 -3.371 1.00 10.00 N ATOM 0 H ARG A 68 2.590 11.857 -4.579 1.00 10.00 H new ATOM 0 HA ARG A 68 1.002 9.612 -5.023 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.204 12.344 -6.315 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.043 11.157 -6.877 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.194 11.206 -4.865 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.149 11.833 -3.931 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.065 14.042 -4.968 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -1.244 13.445 -6.119 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.697 14.061 -3.257 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -3.025 12.763 -6.273 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.689 12.751 -5.680 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.865 13.980 -2.467 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.162 13.437 -3.536 1.00 10.00 H new ATOM 1027 N GLU A 69 3.242 10.205 -7.390 1.00 10.00 N ATOM 1028 CA GLU A 69 3.935 9.623 -8.526 1.00 10.00 C ATOM 1029 C GLU A 69 4.708 8.401 -8.058 1.00 10.00 C ATOM 1030 O GLU A 69 4.614 7.329 -8.645 1.00 10.00 O ATOM 1031 CB GLU A 69 4.852 10.673 -9.157 1.00 10.00 C ATOM 1032 CG GLU A 69 4.167 11.348 -10.351 1.00 10.00 C ATOM 1033 CD GLU A 69 4.413 10.590 -11.653 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.285 9.346 -11.624 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.712 11.271 -12.657 1.00 10.00 O ATOM 0 H GLU A 69 3.657 11.077 -7.061 1.00 10.00 H new ATOM 0 HA GLU A 69 3.225 9.305 -9.289 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.119 11.424 -8.413 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.780 10.203 -9.482 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.095 11.412 -10.166 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.535 12.369 -10.451 1.00 10.00 H new ATOM 1042 N LEU A 70 5.440 8.540 -6.956 1.00 10.00 N ATOM 1043 CA LEU A 70 6.200 7.456 -6.368 1.00 10.00 C ATOM 1044 C LEU A 70 5.312 6.216 -6.242 1.00 10.00 C ATOM 1045 O LEU A 70 5.696 5.145 -6.700 1.00 10.00 O ATOM 1046 CB LEU A 70 6.809 7.935 -5.048 1.00 10.00 C ATOM 1047 CG LEU A 70 7.678 6.954 -4.247 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.002 5.644 -4.940 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.952 7.599 -3.707 1.00 10.00 C ATOM 0 H LEU A 70 5.519 9.420 -6.446 1.00 10.00 H new ATOM 0 HA LEU A 70 7.034 7.160 -7.004 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.414 8.816 -5.262 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.992 8.258 -4.403 1.00 10.00 H new ATOM 0 HG LEU A 70 7.032 6.689 -3.410 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.619 5.029 -4.285 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.077 5.115 -5.169 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.543 5.846 -5.865 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.526 6.859 -3.150 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.551 7.973 -4.538 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.690 8.426 -3.048 1.00 10.00 H new ATOM 1061 N SER A 71 4.100 6.349 -5.697 1.00 10.00 N ATOM 1062 CA SER A 71 3.145 5.242 -5.693 1.00 10.00 C ATOM 1063 C SER A 71 3.129 4.503 -7.042 1.00 10.00 C ATOM 1064 O SER A 71 3.304 3.290 -7.068 1.00 10.00 O ATOM 1065 CB SER A 71 1.746 5.669 -5.211 1.00 10.00 C ATOM 1066 OG SER A 71 0.943 6.200 -6.246 1.00 10.00 O ATOM 0 H SER A 71 3.761 7.204 -5.257 1.00 10.00 H new ATOM 0 HA SER A 71 3.491 4.520 -4.954 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.241 4.809 -4.772 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.851 6.414 -4.422 1.00 10.00 H new ATOM 0 HG SER A 71 1.383 6.986 -6.631 1.00 10.00 H new ATOM 1072 N LYS A 72 3.005 5.202 -8.173 1.00 10.00 N ATOM 1073 CA LYS A 72 3.027 4.575 -9.492 1.00 10.00 C ATOM 1074 C LYS A 72 4.297 3.734 -9.702 1.00 10.00 C ATOM 1075 O LYS A 72 4.236 2.634 -10.242 1.00 10.00 O ATOM 1076 CB LYS A 72 2.847 5.621 -10.600 1.00 10.00 C ATOM 1077 CG LYS A 72 1.471 6.297 -10.523 1.00 10.00 C ATOM 1078 CD LYS A 72 0.481 5.538 -11.415 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.926 6.149 -11.339 1.00 10.00 C ATOM 1080 NZ LYS A 72 -1.429 6.535 -12.675 1.00 10.00 N ATOM 0 H LYS A 72 2.887 6.215 -8.198 1.00 10.00 H new ATOM 0 HA LYS A 72 2.182 3.888 -9.546 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.629 6.376 -10.518 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.965 5.144 -11.573 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.115 6.307 -9.493 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.545 7.336 -10.845 1.00 10.00 H new ATOM 0 HD2 LYS A 72 0.832 5.556 -12.447 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.442 4.492 -11.110 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -1.610 5.431 -10.886 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.908 7.025 -10.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -2.381 6.943 -12.583 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.790 7.239 -13.097 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -1.471 5.695 -13.286 1.00 10.00 H new ATOM 1094 N THR A 73 5.442 4.208 -9.219 1.00 10.00 N ATOM 1095 CA THR A 73 6.706 3.476 -9.236 1.00 10.00 C ATOM 1096 C THR A 73 6.666 2.192 -8.383 1.00 10.00 C ATOM 1097 O THR A 73 7.471 1.293 -8.615 1.00 10.00 O ATOM 1098 CB THR A 73 7.859 4.446 -8.883 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.290 5.111 -10.052 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.071 3.816 -8.193 1.00 10.00 C ATOM 0 H THR A 73 5.519 5.133 -8.795 1.00 10.00 H new ATOM 0 HA THR A 73 6.892 3.101 -10.243 1.00 10.00 H new ATOM 0 HB THR A 73 7.433 5.133 -8.151 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.019 5.727 -9.828 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.816 4.586 -7.992 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.759 3.360 -7.254 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.503 3.053 -8.841 1.00 10.00 H new ATOM 1108 N PHE A 74 5.727 2.071 -7.438 1.00 10.00 N ATOM 1109 CA PHE A 74 5.504 0.868 -6.632 1.00 10.00 C ATOM 1110 C PHE A 74 4.300 0.073 -7.127 1.00 10.00 C ATOM 1111 O PHE A 74 3.958 -0.954 -6.537 1.00 10.00 O ATOM 1112 CB PHE A 74 5.275 1.243 -5.159 1.00 10.00 C ATOM 1113 CG PHE A 74 6.532 1.567 -4.388 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.564 0.613 -4.320 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.609 2.738 -3.615 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.732 0.892 -3.597 1.00 10.00 C ATOM 1117 CE2 PHE A 74 7.765 3.003 -2.864 1.00 10.00 C ATOM 1118 CZ PHE A 74 8.840 2.100 -2.893 1.00 10.00 C ATOM 0 H PHE A 74 5.084 2.829 -7.207 1.00 10.00 H new ATOM 0 HA PHE A 74 6.397 0.250 -6.727 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.607 2.103 -5.117 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.763 0.418 -4.663 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.456 -0.335 -4.825 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.782 3.432 -3.599 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.544 0.180 -3.582 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.827 3.900 -2.265 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.755 2.337 -2.370 1.00 10.00 H new ATOM 1128 N ILE A 75 3.619 0.553 -8.168 1.00 10.00 N ATOM 1129 CA ILE A 75 2.432 -0.116 -8.662 1.00 10.00 C ATOM 1130 C ILE A 75 2.829 -1.482 -9.222 1.00 10.00 C ATOM 1131 O ILE A 75 3.795 -1.581 -9.977 1.00 10.00 O ATOM 1132 CB ILE A 75 1.720 0.805 -9.672 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.234 0.943 -9.361 1.00 10.00 C ATOM 1134 CG2 ILE A 75 1.969 0.461 -11.149 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.526 -0.295 -9.750 1.00 10.00 C ATOM 0 H ILE A 75 3.873 1.399 -8.678 1.00 10.00 H new ATOM 0 HA ILE A 75 1.712 -0.309 -7.867 1.00 10.00 H new ATOM 0 HB ILE A 75 2.188 1.780 -9.536 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.100 1.134 -8.296 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.172 1.803 -9.893 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.427 1.163 -11.782 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.036 0.527 -11.363 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.621 -0.552 -11.350 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.582 -0.163 -9.515 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.412 -0.471 -10.820 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.136 -1.150 -9.198 1.00 10.00 H new ATOM 1147 N ILE A 76 2.100 -2.535 -8.844 1.00 10.00 N ATOM 1148 CA ILE A 76 2.381 -3.895 -9.304 1.00 10.00 C ATOM 1149 C ILE A 76 1.319 -4.409 -10.282 1.00 10.00 C ATOM 1150 O ILE A 76 1.616 -5.233 -11.145 1.00 10.00 O ATOM 1151 CB ILE A 76 2.554 -4.833 -8.102 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.431 -4.640 -7.072 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.926 -4.617 -7.450 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.402 -5.781 -6.065 1.00 10.00 C ATOM 0 H ILE A 76 1.302 -2.468 -8.213 1.00 10.00 H new ATOM 0 HA ILE A 76 3.318 -3.874 -9.861 1.00 10.00 H new ATOM 0 HB ILE A 76 2.495 -5.858 -8.467 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.573 -3.694 -6.549 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.471 -4.580 -7.585 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.034 -5.289 -6.599 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.711 -4.823 -8.177 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.009 -3.585 -7.110 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.596 -5.615 -5.350 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.235 -6.723 -6.587 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.354 -5.823 -5.536 1.00 10.00 H new ATOM 1166 N GLY A 77 0.078 -3.939 -10.154 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.051 -4.383 -10.952 1.00 10.00 C ATOM 1168 C GLY A 77 -2.246 -3.562 -10.512 1.00 10.00 C ATOM 1169 O GLY A 77 -2.077 -2.426 -10.094 1.00 10.00 O ATOM 0 H GLY A 77 -0.170 -3.221 -9.473 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.854 -4.240 -12.014 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.236 -5.447 -10.802 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.446 -4.119 -10.536 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.642 -3.369 -10.205 1.00 10.00 C ATOM 1175 C GLU A 78 -5.615 -4.256 -9.439 1.00 10.00 C ATOM 1176 O GLU A 78 -5.371 -5.442 -9.227 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.212 -2.739 -11.488 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.909 -1.234 -11.584 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.819 -0.717 -13.012 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.404 -1.358 -13.908 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.181 0.348 -13.174 1.00 10.00 O ATOM 0 H GLU A 78 -3.616 -5.094 -10.783 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.420 -2.540 -9.533 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.794 -3.248 -12.357 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.291 -2.893 -11.517 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.686 -0.682 -11.056 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.968 -1.029 -11.073 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.699 -3.659 -8.963 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.716 -4.380 -8.220 1.00 10.00 C ATOM 1190 C LEU A 79 -8.480 -5.291 -9.183 1.00 10.00 C ATOM 1191 O LEU A 79 -8.932 -4.827 -10.228 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.654 -3.355 -7.584 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.905 -4.008 -6.978 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.629 -4.494 -5.558 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.048 -3.006 -7.047 1.00 10.00 C ATOM 0 H LEU A 79 -6.895 -2.665 -9.082 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.272 -4.997 -7.439 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.119 -2.809 -6.807 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.955 -2.626 -8.336 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.188 -4.894 -7.546 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.529 -4.953 -5.149 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.823 -5.228 -5.575 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.337 -3.649 -4.934 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.948 -3.450 -6.621 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.783 -2.112 -6.483 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.234 -2.737 -8.087 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.679 -6.559 -8.825 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.425 -7.509 -9.648 1.00 10.00 C ATOM 1209 C HIS A 80 -10.823 -7.006 -10.026 1.00 10.00 C ATOM 1210 O HIS A 80 -11.509 -6.397 -9.205 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.497 -8.854 -8.928 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.586 -10.044 -9.843 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.705 -10.799 -10.087 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.548 -10.609 -10.536 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.359 -11.776 -10.938 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.055 -11.698 -11.249 1.00 10.00 N ATOM 0 H HIS A 80 -8.327 -6.957 -7.954 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.889 -7.625 -10.590 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.615 -8.962 -8.296 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.364 -8.853 -8.268 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.522 -10.273 -10.532 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.037 -12.524 -11.321 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.538 -12.311 -11.880 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.285 -7.281 -11.257 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.616 -6.895 -11.687 1.00 10.00 C ATOM 1226 C PRO A 81 -13.731 -7.692 -10.994 1.00 10.00 C ATOM 1227 O PRO A 81 -14.897 -7.368 -11.184 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.629 -7.047 -13.207 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.553 -8.095 -13.479 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.550 -7.902 -12.348 1.00 10.00 C ATOM 0 HA PRO A 81 -12.829 -5.865 -11.399 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.605 -7.373 -13.568 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.404 -6.104 -13.705 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.968 -9.103 -13.475 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.088 -7.945 -14.454 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.125 -8.856 -12.038 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.720 -7.272 -12.667 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.387 -8.713 -10.200 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.340 -9.450 -9.371 1.00 10.00 C ATOM 1240 C ASP A 82 -14.700 -8.658 -8.106 1.00 10.00 C ATOM 1241 O ASP A 82 -15.808 -8.774 -7.590 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.739 -10.816 -9.017 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.759 -11.745 -8.378 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.511 -12.369 -9.156 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.716 -11.861 -7.136 1.00 10.00 O ATOM 0 H ASP A 82 -12.429 -9.052 -10.116 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.265 -9.598 -9.929 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.342 -11.281 -9.919 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.900 -10.676 -8.335 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.750 -7.859 -7.603 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.934 -7.067 -6.390 1.00 10.00 C ATOM 1252 C ASP A 83 -14.857 -5.870 -6.647 1.00 10.00 C ATOM 1253 O ASP A 83 -15.794 -5.625 -5.888 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.566 -6.601 -5.885 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.705 -5.729 -4.644 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.948 -4.516 -4.811 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.517 -6.291 -3.547 1.00 10.00 O ATOM 0 H ASP A 83 -12.831 -7.747 -8.031 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.410 -7.685 -5.629 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.945 -7.467 -5.656 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.057 -6.042 -6.670 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.545 -5.117 -7.705 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.242 -3.885 -8.058 1.00 10.00 C ATOM 1264 C ARG A 84 -16.673 -4.130 -8.545 1.00 10.00 C ATOM 1265 O ARG A 84 -16.973 -5.278 -8.937 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.439 -3.125 -9.123 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.500 -3.842 -10.479 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.549 -3.225 -11.512 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.137 -3.280 -11.086 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.163 -2.531 -11.633 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.436 -1.742 -12.678 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.920 -2.564 -11.150 1.00 10.00 N ATOM 0 H ARG A 84 -13.789 -5.353 -8.348 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.320 -3.285 -7.151 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.832 -2.113 -9.225 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.401 -3.033 -8.803 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.250 -4.894 -10.342 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.520 -3.804 -10.861 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.659 -3.750 -12.461 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.832 -2.187 -11.687 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.886 -3.922 -10.334 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.382 -1.709 -13.059 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.699 -1.173 -13.094 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.697 -3.163 -10.355 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.192 -1.990 -11.576 1.00 10.00 H new