USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -83:sc= -2.63! USER MOD Set 1.2: A 46 ASN : amide:sc= -2.62 K(o=-21,f=-13) USER MOD Set 1.3: A 51 GLN : amide:sc= -15.9! C(o=-21!,f=-13!) USER MOD Set 2.1: A 41 ASN : amide:sc= -1.81! C(o=-2.3!,f=-0.88!) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.456 K(o=-2.3,f=-5.7!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 20 SER OG : rot -42:sc= 0.775 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0536 (180deg=-0.447) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0876 X(o=-0.088,f=-0.088) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0532) USER MOD Single : A 37 ASN : amide:sc= -9.27! C(o=-9.3!,f=-8.3!) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0132 (180deg=-0.289) USER MOD Single : A 39 ASN : amide:sc= -0.364 K(o=-0.36,f=-3.9!) USER MOD Single : A 45 MET CE :methyl -124:sc= -0.126 (180deg=-5.33!) USER MOD Single : A 48 ASN : amide:sc= -0.186! X(o=-0.19!,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= -0.0863 (180deg=-0.865) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.221 13.945 -2.676 1.00 0.00 N ATOM 2 CA ILE A 6 0.769 14.403 -1.661 1.00 0.00 C ATOM 3 C ILE A 6 2.139 13.766 -1.989 1.00 0.00 C ATOM 4 O ILE A 6 2.197 12.606 -2.346 1.00 0.00 O ATOM 5 CB ILE A 6 0.267 13.963 -0.249 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.360 15.168 0.475 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.413 13.394 0.615 1.00 0.00 C ATOM 8 CD1 ILE A 6 -0.984 14.719 1.797 1.00 0.00 C ATOM 0 HA ILE A 6 0.877 15.488 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.474 13.177 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.400 15.926 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.120 15.627 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.023 13.100 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.845 12.525 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.182 14.156 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.425 15.579 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.758 13.977 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.214 14.281 2.432 1.00 0.00 H new ATOM 20 N PRO A 7 3.239 14.481 -1.844 1.00 0.00 N ATOM 21 CA PRO A 7 4.577 13.887 -2.112 1.00 0.00 C ATOM 22 C PRO A 7 4.752 12.565 -1.344 1.00 0.00 C ATOM 23 O PRO A 7 4.761 12.535 -0.132 1.00 0.00 O ATOM 24 CB PRO A 7 5.590 14.947 -1.642 1.00 0.00 C ATOM 25 CG PRO A 7 4.827 16.240 -1.522 1.00 0.00 C ATOM 26 CD PRO A 7 3.329 15.896 -1.429 1.00 0.00 C ATOM 0 HA PRO A 7 4.713 13.642 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.031 14.666 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.409 15.044 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.148 16.792 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.019 16.879 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.954 16.035 -0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.735 16.537 -2.080 1.00 0.00 H new ATOM 34 N ILE A 8 4.869 11.481 -2.055 1.00 0.00 N ATOM 35 CA ILE A 8 5.023 10.140 -1.427 1.00 0.00 C ATOM 36 C ILE A 8 5.837 10.193 -0.109 1.00 0.00 C ATOM 37 O ILE A 8 5.499 9.539 0.857 1.00 0.00 O ATOM 38 CB ILE A 8 5.732 9.243 -2.446 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.584 7.787 -2.012 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.196 9.640 -2.547 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.579 6.893 -2.760 1.00 0.00 C ATOM 0 H ILE A 8 4.864 11.468 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 8 4.039 9.752 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 8 5.282 9.362 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.750 7.704 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.566 7.447 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.697 9.000 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.270 10.679 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.672 9.526 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.456 5.860 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.394 6.961 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.596 7.222 -2.546 1.00 0.00 H new ATOM 53 N TRP A 9 6.913 10.939 -0.070 1.00 0.00 N ATOM 54 CA TRP A 9 7.755 11.003 1.179 1.00 0.00 C ATOM 55 C TRP A 9 7.046 11.837 2.260 1.00 0.00 C ATOM 56 O TRP A 9 7.652 12.207 3.247 1.00 0.00 O ATOM 57 CB TRP A 9 9.129 11.646 0.850 1.00 0.00 C ATOM 58 CG TRP A 9 8.970 12.496 -0.361 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.507 13.765 -0.370 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.218 12.137 -1.744 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.452 14.206 -1.676 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.871 13.236 -2.560 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.700 10.970 -2.364 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.988 13.180 -3.943 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.813 10.909 -3.758 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.455 12.012 -4.543 1.00 0.00 C ATOM 0 H TRP A 9 7.250 11.509 -0.846 1.00 0.00 H new ATOM 0 HA TRP A 9 7.904 9.990 1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.479 12.245 1.691 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.878 10.873 0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.226 14.339 0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.139 15.136 -1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.984 10.119 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.720 14.034 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.177 10.008 -4.230 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.541 11.957 -5.618 1.00 0.00 H new ATOM 77 N GLU A 10 5.779 12.144 2.087 1.00 0.00 N ATOM 78 CA GLU A 10 5.046 12.966 3.114 1.00 0.00 C ATOM 79 C GLU A 10 3.788 12.223 3.584 1.00 0.00 C ATOM 80 O GLU A 10 3.311 12.442 4.680 1.00 0.00 O ATOM 81 CB GLU A 10 4.652 14.322 2.499 1.00 0.00 C ATOM 82 CG GLU A 10 5.826 15.304 2.603 1.00 0.00 C ATOM 83 CD GLU A 10 5.916 15.848 4.031 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.886 16.227 4.565 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.012 15.876 4.566 1.00 0.00 O ATOM 0 H GLU A 10 5.220 11.863 1.282 1.00 0.00 H new ATOM 0 HA GLU A 10 5.698 13.132 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.369 14.189 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.782 14.726 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.756 14.804 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.690 16.125 1.898 1.00 0.00 H new ATOM 92 N ARG A 11 3.239 11.353 2.778 1.00 0.00 N ATOM 93 CA ARG A 11 2.011 10.624 3.220 1.00 0.00 C ATOM 94 C ARG A 11 2.397 9.494 4.173 1.00 0.00 C ATOM 95 O ARG A 11 3.558 9.183 4.357 1.00 0.00 O ATOM 96 CB ARG A 11 1.246 10.044 2.020 1.00 0.00 C ATOM 97 CG ARG A 11 2.179 9.223 1.122 1.00 0.00 C ATOM 98 CD ARG A 11 1.551 9.079 -0.270 1.00 0.00 C ATOM 99 NE ARG A 11 0.072 8.959 -0.141 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.688 9.115 -1.192 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.149 9.351 -2.357 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.985 9.030 -1.079 1.00 0.00 N ATOM 0 H ARG A 11 3.580 11.117 1.846 1.00 0.00 H new ATOM 0 HA ARG A 11 1.361 11.334 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.429 9.415 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.799 10.853 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.151 9.711 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.350 8.239 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.804 9.943 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.955 8.200 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.347 8.755 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.865 9.414 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.742 9.473 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.406 8.842 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.578 9.152 -1.900 1.00 0.00 H new ATOM 116 N TYR A 12 1.420 8.885 4.786 1.00 0.00 N ATOM 117 CA TYR A 12 1.685 7.771 5.748 1.00 0.00 C ATOM 118 C TYR A 12 1.386 6.437 5.057 1.00 0.00 C ATOM 119 O TYR A 12 1.765 5.383 5.527 1.00 0.00 O ATOM 120 CB TYR A 12 0.769 7.946 6.971 1.00 0.00 C ATOM 121 CG TYR A 12 -0.549 8.544 6.529 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.619 9.900 6.184 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.695 7.743 6.453 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.834 10.455 5.765 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.910 8.298 6.035 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.980 9.654 5.690 1.00 0.00 C ATOM 127 OH TYR A 12 -4.177 10.200 5.278 1.00 0.00 O ATOM 0 H TYR A 12 0.434 9.113 4.661 1.00 0.00 H new ATOM 0 HA TYR A 12 2.726 7.784 6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.601 6.983 7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.246 8.593 7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.265 10.518 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.641 6.697 6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.887 11.501 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.794 7.680 5.978 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.871 9.508 5.281 1.00 0.00 H new ATOM 137 N THR A 13 0.708 6.485 3.940 1.00 0.00 N ATOM 138 CA THR A 13 0.370 5.237 3.190 1.00 0.00 C ATOM 139 C THR A 13 0.647 5.476 1.702 1.00 0.00 C ATOM 140 O THR A 13 0.639 6.601 1.242 1.00 0.00 O ATOM 141 CB THR A 13 -1.115 4.908 3.409 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.875 6.101 3.277 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.346 4.316 4.818 1.00 0.00 C ATOM 0 H THR A 13 0.370 7.346 3.510 1.00 0.00 H new ATOM 0 HA THR A 13 0.973 4.400 3.542 1.00 0.00 H new ATOM 0 HB THR A 13 -1.424 4.172 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.861 6.593 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.404 4.091 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.764 3.401 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.032 5.038 5.572 1.00 0.00 H new ATOM 151 N LEU A 14 0.919 4.434 0.952 1.00 0.00 N ATOM 152 CA LEU A 14 1.231 4.600 -0.509 1.00 0.00 C ATOM 153 C LEU A 14 0.092 4.054 -1.370 1.00 0.00 C ATOM 154 O LEU A 14 -0.551 3.088 -1.036 1.00 0.00 O ATOM 155 CB LEU A 14 2.530 3.836 -0.832 1.00 0.00 C ATOM 156 CG LEU A 14 3.734 4.758 -0.651 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.860 5.172 0.817 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.999 4.028 -1.094 1.00 0.00 C ATOM 0 H LEU A 14 0.939 3.471 1.288 1.00 0.00 H new ATOM 0 HA LEU A 14 1.352 5.661 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.624 2.968 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.498 3.462 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 14 3.599 5.653 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.721 5.829 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.956 5.698 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.992 4.284 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.861 4.683 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.132 3.131 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.909 3.748 -2.143 1.00 0.00 H new ATOM 170 N THR A 15 -0.140 4.670 -2.492 1.00 0.00 N ATOM 171 CA THR A 15 -1.219 4.200 -3.397 1.00 0.00 C ATOM 172 C THR A 15 -0.717 3.007 -4.204 1.00 0.00 C ATOM 173 O THR A 15 0.407 2.571 -4.054 1.00 0.00 O ATOM 174 CB THR A 15 -1.593 5.335 -4.352 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.416 6.037 -4.716 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.548 6.298 -3.660 1.00 0.00 C ATOM 0 H THR A 15 0.376 5.485 -2.823 1.00 0.00 H new ATOM 0 HA THR A 15 -2.090 3.903 -2.813 1.00 0.00 H new ATOM 0 HB THR A 15 -2.075 4.920 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.646 6.766 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.811 7.104 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.451 5.765 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.066 6.715 -2.776 1.00 0.00 H new ATOM 184 N ILE A 16 -1.536 2.483 -5.071 1.00 0.00 N ATOM 185 CA ILE A 16 -1.096 1.338 -5.890 1.00 0.00 C ATOM 186 C ILE A 16 0.045 1.815 -6.795 1.00 0.00 C ATOM 187 O ILE A 16 0.997 1.106 -7.039 1.00 0.00 O ATOM 188 CB ILE A 16 -2.276 0.845 -6.743 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.233 -0.010 -5.881 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.757 0.024 -7.928 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.737 -1.462 -5.787 1.00 0.00 C ATOM 0 H ILE A 16 -2.489 2.803 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.752 0.518 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.823 1.707 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.309 0.418 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.234 0.010 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.599 -0.322 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.104 0.644 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.198 -0.835 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.427 -2.043 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.685 -1.894 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.746 -1.479 -5.332 1.00 0.00 H new ATOM 203 N GLU A 17 -0.054 3.016 -7.296 1.00 0.00 N ATOM 204 CA GLU A 17 1.021 3.542 -8.182 1.00 0.00 C ATOM 205 C GLU A 17 2.269 3.807 -7.340 1.00 0.00 C ATOM 206 O GLU A 17 3.357 3.394 -7.689 1.00 0.00 O ATOM 207 CB GLU A 17 0.563 4.841 -8.874 1.00 0.00 C ATOM 208 CG GLU A 17 -0.228 5.746 -7.889 1.00 0.00 C ATOM 209 CD GLU A 17 0.324 7.179 -7.915 1.00 0.00 C ATOM 210 OE1 GLU A 17 1.535 7.325 -7.937 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.474 8.100 -7.909 1.00 0.00 O ATOM 0 H GLU A 17 -0.832 3.654 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 17 1.246 2.807 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.431 5.381 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.062 4.599 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.284 5.752 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.159 5.342 -6.879 1.00 0.00 H new ATOM 218 N GLU A 18 2.129 4.472 -6.220 1.00 0.00 N ATOM 219 CA GLU A 18 3.315 4.721 -5.373 1.00 0.00 C ATOM 220 C GLU A 18 3.818 3.370 -4.866 1.00 0.00 C ATOM 221 O GLU A 18 5.004 3.129 -4.769 1.00 0.00 O ATOM 222 CB GLU A 18 2.931 5.609 -4.184 1.00 0.00 C ATOM 223 CG GLU A 18 2.500 7.000 -4.664 1.00 0.00 C ATOM 224 CD GLU A 18 3.662 7.693 -5.379 1.00 0.00 C ATOM 225 OE1 GLU A 18 4.791 7.289 -5.163 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.402 8.619 -6.130 1.00 0.00 O ATOM 0 H GLU A 18 1.249 4.847 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 18 4.091 5.228 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.120 5.144 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.777 5.700 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.648 6.913 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.174 7.601 -3.815 1.00 0.00 H new ATOM 233 N ALA A 19 2.914 2.481 -4.555 1.00 0.00 N ATOM 234 CA ALA A 19 3.323 1.137 -4.064 1.00 0.00 C ATOM 235 C ALA A 19 4.030 0.378 -5.188 1.00 0.00 C ATOM 236 O ALA A 19 5.117 -0.128 -5.016 1.00 0.00 O ATOM 237 CB ALA A 19 2.087 0.356 -3.624 1.00 0.00 C ATOM 0 H ALA A 19 1.907 2.630 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 19 4.001 1.251 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.387 -0.628 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.581 0.896 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.409 0.242 -4.470 1.00 0.00 H new ATOM 243 N SER A 20 3.430 0.286 -6.341 1.00 0.00 N ATOM 244 CA SER A 20 4.099 -0.448 -7.449 1.00 0.00 C ATOM 245 C SER A 20 5.517 0.100 -7.634 1.00 0.00 C ATOM 246 O SER A 20 6.456 -0.640 -7.808 1.00 0.00 O ATOM 247 CB SER A 20 3.306 -0.265 -8.737 1.00 0.00 C ATOM 248 OG SER A 20 3.324 1.107 -9.111 1.00 0.00 O ATOM 0 H SER A 20 2.517 0.682 -6.563 1.00 0.00 H new ATOM 0 HA SER A 20 4.147 -1.510 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.735 -0.876 -9.531 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.279 -0.602 -8.596 1.00 0.00 H new ATOM 0 HG SER A 20 3.203 1.665 -8.314 1.00 0.00 H new ATOM 254 N LYS A 21 5.682 1.390 -7.587 1.00 0.00 N ATOM 255 CA LYS A 21 7.048 1.969 -7.742 1.00 0.00 C ATOM 256 C LYS A 21 7.851 1.696 -6.470 1.00 0.00 C ATOM 257 O LYS A 21 8.799 0.941 -6.456 1.00 0.00 O ATOM 258 CB LYS A 21 6.934 3.480 -7.917 1.00 0.00 C ATOM 259 CG LYS A 21 6.298 3.822 -9.271 1.00 0.00 C ATOM 260 CD LYS A 21 6.656 5.260 -9.662 1.00 0.00 C ATOM 261 CE LYS A 21 6.135 6.229 -8.597 1.00 0.00 C ATOM 262 NZ LYS A 21 4.671 6.027 -8.415 1.00 0.00 N ATOM 0 H LYS A 21 4.934 2.069 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 21 7.538 1.522 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.333 3.900 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.922 3.935 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.651 3.129 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.215 3.709 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.737 5.362 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.222 5.502 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.656 6.064 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.337 7.258 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.283 6.800 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.203 6.021 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.503 5.119 -7.937 1.00 0.00 H new ATOM 276 N TYR A 22 7.457 2.329 -5.406 1.00 0.00 N ATOM 277 CA TYR A 22 8.150 2.168 -4.091 1.00 0.00 C ATOM 278 C TYR A 22 8.201 0.680 -3.696 1.00 0.00 C ATOM 279 O TYR A 22 9.253 0.118 -3.468 1.00 0.00 O ATOM 280 CB TYR A 22 7.315 2.947 -3.067 1.00 0.00 C ATOM 281 CG TYR A 22 8.143 3.422 -1.895 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.883 4.607 -1.989 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.126 2.702 -0.697 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.610 5.067 -0.883 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.854 3.155 0.405 1.00 0.00 C ATOM 286 CZ TYR A 22 9.594 4.341 0.315 1.00 0.00 C ATOM 287 OH TYR A 22 10.310 4.793 1.406 1.00 0.00 O ATOM 0 H TYR A 22 6.663 2.969 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 22 9.175 2.536 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.854 3.806 -3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.505 2.314 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.893 5.166 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.548 1.793 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.182 5.980 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.847 2.591 1.326 1.00 0.00 H new ATOM 0 HH TYR A 22 10.190 4.173 2.156 1.00 0.00 H new ATOM 297 N PHE A 23 7.060 0.053 -3.616 1.00 0.00 N ATOM 298 CA PHE A 23 6.986 -1.389 -3.239 1.00 0.00 C ATOM 299 C PHE A 23 6.971 -2.239 -4.506 1.00 0.00 C ATOM 300 O PHE A 23 5.975 -2.846 -4.825 1.00 0.00 O ATOM 301 CB PHE A 23 5.696 -1.638 -2.441 1.00 0.00 C ATOM 302 CG PHE A 23 5.904 -1.235 -1.003 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.396 -2.167 -0.088 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.615 0.070 -0.591 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.600 -1.801 1.243 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.818 0.443 0.743 1.00 0.00 C ATOM 307 CZ PHE A 23 6.312 -0.494 1.662 1.00 0.00 C ATOM 0 H PHE A 23 6.156 0.488 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 23 7.850 -1.656 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.873 -1.068 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.419 -2.691 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.619 -3.173 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.236 0.789 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.979 -2.524 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.595 1.450 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.471 -0.209 2.692 1.00 0.00 H new ATOM 317 N ARG A 24 8.056 -2.266 -5.232 1.00 0.00 N ATOM 318 CA ARG A 24 8.106 -3.069 -6.498 1.00 0.00 C ATOM 319 C ARG A 24 7.446 -4.432 -6.291 1.00 0.00 C ATOM 320 O ARG A 24 8.097 -5.417 -6.009 1.00 0.00 O ATOM 321 CB ARG A 24 9.567 -3.272 -6.941 1.00 0.00 C ATOM 322 CG ARG A 24 10.094 -2.032 -7.711 1.00 0.00 C ATOM 323 CD ARG A 24 10.750 -1.048 -6.734 1.00 0.00 C ATOM 324 NE ARG A 24 10.912 0.294 -7.387 1.00 0.00 N ATOM 325 CZ ARG A 24 11.545 0.435 -8.522 1.00 0.00 C ATOM 326 NH1 ARG A 24 12.233 -0.551 -9.028 1.00 0.00 N ATOM 327 NH2 ARG A 24 11.538 1.593 -9.125 1.00 0.00 N ATOM 0 H ARG A 24 8.916 -1.766 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 24 7.566 -2.523 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.193 -3.455 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.639 -4.156 -7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.816 -2.342 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.273 -1.543 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.140 -0.953 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.722 -1.428 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 24 10.518 1.118 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.281 -1.444 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.723 -0.429 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.041 2.381 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.030 1.710 -10.011 1.00 0.00 H new ATOM 341 N ILE A 25 6.154 -4.485 -6.453 1.00 0.00 N ATOM 342 CA ILE A 25 5.408 -5.766 -6.291 1.00 0.00 C ATOM 343 C ILE A 25 4.348 -5.823 -7.403 1.00 0.00 C ATOM 344 O ILE A 25 3.854 -4.805 -7.848 1.00 0.00 O ATOM 345 CB ILE A 25 4.770 -5.799 -4.865 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.099 -7.131 -4.149 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.244 -5.622 -4.922 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.499 -7.060 -3.525 1.00 0.00 C ATOM 0 H ILE A 25 5.573 -3.682 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 25 6.058 -6.637 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 25 5.197 -4.967 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.357 -7.331 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.050 -7.957 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.836 -5.650 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.006 -4.663 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.806 -6.427 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.722 -8.002 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.237 -6.882 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.534 -6.246 -2.801 1.00 0.00 H new ATOM 360 N GLY A 26 4.000 -6.991 -7.861 1.00 0.00 N ATOM 361 CA GLY A 26 2.982 -7.082 -8.946 1.00 0.00 C ATOM 362 C GLY A 26 1.755 -6.248 -8.579 1.00 0.00 C ATOM 363 O GLY A 26 1.043 -6.541 -7.638 1.00 0.00 O ATOM 0 H GLY A 26 4.373 -7.883 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.406 -6.727 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.693 -8.122 -9.099 1.00 0.00 H new ATOM 367 N GLU A 27 1.510 -5.210 -9.324 1.00 0.00 N ATOM 368 CA GLU A 27 0.343 -4.333 -9.056 1.00 0.00 C ATOM 369 C GLU A 27 -0.914 -5.188 -8.818 1.00 0.00 C ATOM 370 O GLU A 27 -1.781 -4.839 -8.042 1.00 0.00 O ATOM 371 CB GLU A 27 0.140 -3.439 -10.291 1.00 0.00 C ATOM 372 CG GLU A 27 -0.457 -2.106 -9.867 1.00 0.00 C ATOM 373 CD GLU A 27 -0.922 -1.331 -11.101 1.00 0.00 C ATOM 374 OE1 GLU A 27 -0.120 -1.155 -12.003 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.073 -0.928 -11.123 1.00 0.00 O ATOM 0 H GLU A 27 2.080 -4.928 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 27 0.517 -3.727 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.093 -3.278 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.519 -3.933 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.297 -2.271 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.283 -1.524 -9.318 1.00 0.00 H new ATOM 382 N ASN A 28 -1.021 -6.290 -9.508 1.00 0.00 N ATOM 383 CA ASN A 28 -2.222 -7.168 -9.366 1.00 0.00 C ATOM 384 C ASN A 28 -2.320 -7.755 -7.952 1.00 0.00 C ATOM 385 O ASN A 28 -3.400 -8.018 -7.464 1.00 0.00 O ATOM 386 CB ASN A 28 -2.128 -8.313 -10.376 1.00 0.00 C ATOM 387 CG ASN A 28 -1.838 -7.747 -11.767 1.00 0.00 C ATOM 388 OD1 ASN A 28 -0.840 -8.081 -12.375 1.00 0.00 O ATOM 389 ND2 ASN A 28 -2.673 -6.898 -12.300 1.00 0.00 N ATOM 0 H ASN A 28 -0.322 -6.625 -10.171 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.111 -6.565 -9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.340 -9.006 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.060 -8.877 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.488 -6.515 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.511 -6.618 -11.790 1.00 0.00 H new ATOM 396 N LYS A 29 -1.218 -7.971 -7.288 1.00 0.00 N ATOM 397 CA LYS A 29 -1.298 -8.550 -5.913 1.00 0.00 C ATOM 398 C LYS A 29 -1.856 -7.496 -4.969 1.00 0.00 C ATOM 399 O LYS A 29 -2.794 -7.733 -4.239 1.00 0.00 O ATOM 400 CB LYS A 29 0.094 -8.973 -5.419 1.00 0.00 C ATOM 401 CG LYS A 29 0.616 -10.178 -6.220 1.00 0.00 C ATOM 402 CD LYS A 29 1.438 -9.681 -7.407 1.00 0.00 C ATOM 403 CE LYS A 29 1.899 -10.871 -8.238 1.00 0.00 C ATOM 404 NZ LYS A 29 3.014 -11.567 -7.536 1.00 0.00 N ATOM 0 H LYS A 29 -0.277 -7.776 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.944 -9.428 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.788 -8.138 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.047 -9.227 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.228 -10.816 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.219 -10.785 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.841 -9.005 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.300 -9.114 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.069 -11.560 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.228 -10.535 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.440 -12.270 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.735 -10.872 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.646 -12.045 -6.689 1.00 0.00 H new ATOM 418 N LEU A 30 -1.283 -6.332 -4.982 1.00 0.00 N ATOM 419 CA LEU A 30 -1.779 -5.250 -4.087 1.00 0.00 C ATOM 420 C LEU A 30 -3.293 -5.104 -4.252 1.00 0.00 C ATOM 421 O LEU A 30 -4.025 -4.986 -3.289 1.00 0.00 O ATOM 422 CB LEU A 30 -1.106 -3.934 -4.469 1.00 0.00 C ATOM 423 CG LEU A 30 0.414 -4.049 -4.310 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.080 -2.819 -4.941 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.792 -4.133 -2.819 1.00 0.00 C ATOM 0 H LEU A 30 -0.491 -6.079 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.546 -5.499 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.352 -3.677 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.484 -3.128 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 30 0.758 -4.955 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.162 -2.895 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.825 -2.770 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.727 -1.917 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.875 -4.214 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.448 -3.235 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.321 -5.009 -2.373 1.00 0.00 H new ATOM 437 N ARG A 31 -3.767 -5.103 -5.467 1.00 0.00 N ATOM 438 CA ARG A 31 -5.231 -4.954 -5.698 1.00 0.00 C ATOM 439 C ARG A 31 -5.965 -6.219 -5.242 1.00 0.00 C ATOM 440 O ARG A 31 -7.081 -6.160 -4.764 1.00 0.00 O ATOM 441 CB ARG A 31 -5.484 -4.725 -7.191 1.00 0.00 C ATOM 442 CG ARG A 31 -6.891 -4.153 -7.394 1.00 0.00 C ATOM 443 CD ARG A 31 -7.219 -4.100 -8.890 1.00 0.00 C ATOM 444 NE ARG A 31 -8.337 -3.143 -9.121 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.584 -2.709 -10.327 1.00 0.00 C ATOM 446 NH1 ARG A 31 -7.849 -3.110 -11.328 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.564 -1.872 -10.532 1.00 0.00 N ATOM 0 H ARG A 31 -3.203 -5.199 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.602 -4.104 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.740 -4.038 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.380 -5.664 -7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.623 -4.770 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.953 -3.154 -6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.340 -3.791 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.496 -5.092 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.909 -2.827 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.082 -3.763 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.042 -2.771 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.137 -1.557 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.757 -1.533 -11.475 1.00 0.00 H new ATOM 461 N ARG A 32 -5.355 -7.363 -5.391 1.00 0.00 N ATOM 462 CA ARG A 32 -6.031 -8.624 -4.971 1.00 0.00 C ATOM 463 C ARG A 32 -5.976 -8.758 -3.448 1.00 0.00 C ATOM 464 O ARG A 32 -6.883 -9.282 -2.834 1.00 0.00 O ATOM 465 CB ARG A 32 -5.329 -9.821 -5.622 1.00 0.00 C ATOM 466 CG ARG A 32 -5.730 -9.909 -7.104 1.00 0.00 C ATOM 467 CD ARG A 32 -7.220 -10.292 -7.247 1.00 0.00 C ATOM 468 NE ARG A 32 -7.384 -11.254 -8.384 1.00 0.00 N ATOM 469 CZ ARG A 32 -6.830 -11.030 -9.548 1.00 0.00 C ATOM 470 NH1 ARG A 32 -6.249 -9.888 -9.796 1.00 0.00 N ATOM 471 NH2 ARG A 32 -6.901 -11.937 -10.484 1.00 0.00 N ATOM 0 H ARG A 32 -4.421 -7.479 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.073 -8.599 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.248 -9.714 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.602 -10.741 -5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.547 -8.952 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.109 -10.649 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.581 -10.742 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.820 -9.399 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.938 -12.100 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.224 -9.162 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.819 -9.721 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.387 -12.816 -10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.471 -11.767 -11.393 1.00 0.00 H new ATOM 485 N LEU A 33 -4.928 -8.287 -2.832 1.00 0.00 N ATOM 486 CA LEU A 33 -4.833 -8.389 -1.350 1.00 0.00 C ATOM 487 C LEU A 33 -5.927 -7.520 -0.723 1.00 0.00 C ATOM 488 O LEU A 33 -6.787 -7.999 -0.013 1.00 0.00 O ATOM 489 CB LEU A 33 -3.454 -7.896 -0.888 1.00 0.00 C ATOM 490 CG LEU A 33 -2.378 -8.967 -1.160 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.011 -8.295 -1.332 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.300 -9.952 0.016 1.00 0.00 C ATOM 0 H LEU A 33 -4.135 -7.837 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.963 -9.426 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.198 -6.974 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.483 -7.663 0.176 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.646 -9.505 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.254 -9.055 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.050 -7.601 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.756 -7.750 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.537 -10.703 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.043 -9.412 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.265 -10.442 0.145 1.00 0.00 H new ATOM 504 N ALA A 34 -5.903 -6.243 -0.987 1.00 0.00 N ATOM 505 CA ALA A 34 -6.941 -5.341 -0.412 1.00 0.00 C ATOM 506 C ALA A 34 -8.327 -5.906 -0.713 1.00 0.00 C ATOM 507 O ALA A 34 -9.061 -6.297 0.173 1.00 0.00 O ATOM 508 CB ALA A 34 -6.820 -3.959 -1.049 1.00 0.00 C ATOM 0 H ALA A 34 -5.209 -5.784 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.799 -5.266 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.578 -3.298 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.830 -3.550 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.965 -4.041 -2.126 1.00 0.00 H new ATOM 514 N GLU A 35 -8.688 -5.945 -1.964 1.00 0.00 N ATOM 515 CA GLU A 35 -10.023 -6.476 -2.350 1.00 0.00 C ATOM 516 C GLU A 35 -10.299 -7.785 -1.603 1.00 0.00 C ATOM 517 O GLU A 35 -11.434 -8.145 -1.363 1.00 0.00 O ATOM 518 CB GLU A 35 -10.038 -6.732 -3.859 1.00 0.00 C ATOM 519 CG GLU A 35 -10.179 -5.403 -4.606 1.00 0.00 C ATOM 520 CD GLU A 35 -11.597 -4.861 -4.424 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.530 -5.583 -4.736 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.726 -3.734 -3.977 1.00 0.00 O ATOM 0 H GLU A 35 -8.110 -5.629 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.794 -5.751 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.119 -7.235 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.864 -7.395 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.452 -4.683 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.966 -5.545 -5.666 1.00 0.00 H new ATOM 529 N GLU A 36 -9.271 -8.504 -1.236 1.00 0.00 N ATOM 530 CA GLU A 36 -9.473 -9.785 -0.512 1.00 0.00 C ATOM 531 C GLU A 36 -9.579 -9.508 0.993 1.00 0.00 C ATOM 532 O GLU A 36 -10.495 -9.958 1.653 1.00 0.00 O ATOM 533 CB GLU A 36 -8.284 -10.709 -0.806 1.00 0.00 C ATOM 534 CG GLU A 36 -8.274 -11.872 0.181 1.00 0.00 C ATOM 535 CD GLU A 36 -7.354 -12.981 -0.333 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.183 -12.704 -0.536 1.00 0.00 O ATOM 537 OE2 GLU A 36 -7.835 -14.087 -0.514 1.00 0.00 O ATOM 0 H GLU A 36 -8.297 -8.255 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.393 -10.267 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.350 -11.087 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.351 -10.150 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.934 -11.529 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.285 -12.258 0.313 1.00 0.00 H new ATOM 544 N ASN A 37 -8.641 -8.777 1.539 1.00 0.00 N ATOM 545 CA ASN A 37 -8.665 -8.469 3.003 1.00 0.00 C ATOM 546 C ASN A 37 -9.151 -7.030 3.217 1.00 0.00 C ATOM 547 O ASN A 37 -8.454 -6.203 3.770 1.00 0.00 O ATOM 548 CB ASN A 37 -7.246 -8.630 3.565 1.00 0.00 C ATOM 549 CG ASN A 37 -6.228 -8.144 2.534 1.00 0.00 C ATOM 550 OD1 ASN A 37 -5.512 -8.935 1.952 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.134 -6.870 2.278 1.00 0.00 N ATOM 0 H ASN A 37 -7.853 -8.377 1.030 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.343 -9.151 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.143 -8.061 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.058 -9.675 3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.460 -6.537 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.735 -6.206 2.766 1.00 0.00 H new ATOM 558 N LYS A 38 -10.347 -6.731 2.784 1.00 0.00 N ATOM 559 CA LYS A 38 -10.891 -5.351 2.962 1.00 0.00 C ATOM 560 C LYS A 38 -10.626 -4.868 4.391 1.00 0.00 C ATOM 561 O LYS A 38 -10.516 -3.686 4.647 1.00 0.00 O ATOM 562 CB LYS A 38 -12.401 -5.364 2.707 1.00 0.00 C ATOM 563 CG LYS A 38 -12.687 -5.748 1.247 1.00 0.00 C ATOM 564 CD LYS A 38 -12.279 -4.607 0.297 1.00 0.00 C ATOM 565 CE LYS A 38 -13.051 -4.732 -1.021 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.468 -4.324 -0.808 1.00 0.00 N ATOM 0 H LYS A 38 -10.973 -7.384 2.313 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.402 -4.679 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.885 -6.073 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.822 -4.382 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.140 -6.655 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.747 -5.969 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.486 -3.643 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.206 -4.645 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.592 -4.104 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.008 -5.759 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.886 -4.033 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.006 -5.126 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.503 -3.528 -0.139 1.00 0.00 H new ATOM 580 N ASN A 39 -10.531 -5.777 5.326 1.00 0.00 N ATOM 581 CA ASN A 39 -10.282 -5.386 6.743 1.00 0.00 C ATOM 582 C ASN A 39 -8.789 -5.516 7.052 1.00 0.00 C ATOM 583 O ASN A 39 -8.389 -5.644 8.193 1.00 0.00 O ATOM 584 CB ASN A 39 -11.073 -6.318 7.661 1.00 0.00 C ATOM 585 CG ASN A 39 -12.572 -6.056 7.492 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.029 -5.751 6.409 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.362 -6.164 8.526 1.00 0.00 N ATOM 0 H ASN A 39 -10.616 -6.781 5.166 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.596 -4.354 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.846 -7.357 7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.780 -6.157 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.362 -5.992 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.979 -6.420 9.436 1.00 0.00 H new ATOM 594 N ALA A 40 -7.964 -5.486 6.044 1.00 0.00 N ATOM 595 CA ALA A 40 -6.498 -5.609 6.275 1.00 0.00 C ATOM 596 C ALA A 40 -6.048 -4.531 7.270 1.00 0.00 C ATOM 597 O ALA A 40 -6.566 -3.435 7.295 1.00 0.00 O ATOM 598 CB ALA A 40 -5.760 -5.436 4.932 1.00 0.00 C ATOM 0 H ALA A 40 -8.242 -5.381 5.068 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.265 -6.591 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.686 -5.525 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.087 -6.207 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.985 -4.453 4.517 1.00 0.00 H new ATOM 604 N ASN A 41 -5.088 -4.838 8.090 1.00 0.00 N ATOM 605 CA ASN A 41 -4.600 -3.831 9.071 1.00 0.00 C ATOM 606 C ASN A 41 -3.667 -2.835 8.368 1.00 0.00 C ATOM 607 O ASN A 41 -3.144 -1.930 8.987 1.00 0.00 O ATOM 608 CB ASN A 41 -3.841 -4.547 10.194 1.00 0.00 C ATOM 609 CG ASN A 41 -3.720 -3.626 11.411 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.496 -2.440 11.272 1.00 0.00 O ATOM 611 ND2 ASN A 41 -3.862 -4.127 12.608 1.00 0.00 N ATOM 0 H ASN A 41 -4.618 -5.743 8.125 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.447 -3.290 9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.363 -5.463 10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.849 -4.837 9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.785 -3.523 13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.050 -5.123 12.725 1.00 0.00 H new ATOM 618 N TRP A 42 -3.428 -3.013 7.083 1.00 0.00 N ATOM 619 CA TRP A 42 -2.494 -2.095 6.342 1.00 0.00 C ATOM 620 C TRP A 42 -3.202 -1.386 5.176 1.00 0.00 C ATOM 621 O TRP A 42 -2.665 -0.456 4.608 1.00 0.00 O ATOM 622 CB TRP A 42 -1.328 -2.922 5.785 1.00 0.00 C ATOM 623 CG TRP A 42 -1.865 -4.160 5.144 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.868 -5.390 5.709 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.480 -4.311 3.832 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.451 -6.284 4.829 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.846 -5.666 3.659 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.757 -3.411 2.786 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.466 -6.113 2.492 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.380 -3.856 1.611 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.735 -5.202 1.464 1.00 0.00 C ATOM 0 H TRP A 42 -3.840 -3.755 6.517 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.139 -1.334 7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.766 -2.336 5.058 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.637 -3.184 6.586 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.479 -5.634 6.687 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.574 -7.278 5.021 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.488 -2.370 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.736 -7.153 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.587 -3.156 0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.216 -5.538 0.557 1.00 0.00 H new ATOM 642 N LEU A 43 -4.384 -1.807 4.789 1.00 0.00 N ATOM 643 CA LEU A 43 -5.072 -1.137 3.640 1.00 0.00 C ATOM 644 C LEU A 43 -5.969 -0.003 4.155 1.00 0.00 C ATOM 645 O LEU A 43 -6.435 -0.019 5.275 1.00 0.00 O ATOM 646 CB LEU A 43 -5.876 -2.209 2.861 1.00 0.00 C ATOM 647 CG LEU A 43 -7.376 -2.274 3.261 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.563 -2.366 4.798 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.162 -1.064 2.674 1.00 0.00 C ATOM 0 H LEU A 43 -4.897 -2.578 5.215 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.346 -0.686 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.802 -2.002 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.421 -3.185 3.029 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.786 -3.188 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.626 -2.409 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.072 -3.265 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.122 -1.489 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.209 -1.133 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.738 -0.135 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.089 -1.076 1.586 1.00 0.00 H new ATOM 661 N ILE A 44 -6.187 0.999 3.342 1.00 0.00 N ATOM 662 CA ILE A 44 -7.027 2.155 3.760 1.00 0.00 C ATOM 663 C ILE A 44 -7.849 2.620 2.550 1.00 0.00 C ATOM 664 O ILE A 44 -7.311 3.068 1.557 1.00 0.00 O ATOM 665 CB ILE A 44 -6.082 3.277 4.254 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.869 3.151 5.776 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.653 4.667 3.935 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.560 3.835 6.169 1.00 0.00 C ATOM 0 H ILE A 44 -5.813 1.063 2.395 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.712 1.886 4.564 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.130 3.166 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.703 3.607 6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.843 2.100 6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.967 5.434 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.780 4.770 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.619 4.785 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.411 3.745 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.730 3.359 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.604 4.889 5.896 1.00 0.00 H new ATOM 680 N MET A 45 -9.149 2.522 2.629 1.00 0.00 N ATOM 681 CA MET A 45 -10.002 2.964 1.489 1.00 0.00 C ATOM 682 C MET A 45 -10.383 4.430 1.676 1.00 0.00 C ATOM 683 O MET A 45 -11.224 4.768 2.485 1.00 0.00 O ATOM 684 CB MET A 45 -11.276 2.114 1.435 1.00 0.00 C ATOM 685 CG MET A 45 -10.927 0.638 1.148 1.00 0.00 C ATOM 686 SD MET A 45 -12.205 -0.091 0.090 1.00 0.00 S ATOM 687 CE MET A 45 -11.680 0.666 -1.472 1.00 0.00 C ATOM 0 H MET A 45 -9.657 2.155 3.434 1.00 0.00 H new ATOM 0 HA MET A 45 -9.446 2.845 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.812 2.190 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.942 2.494 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.955 0.571 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.853 0.082 2.083 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.512 1.220 -1.906 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.849 1.346 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.363 -0.113 -2.165 1.00 0.00 H new ATOM 697 N ASN A 46 -9.776 5.301 0.921 1.00 0.00 N ATOM 698 CA ASN A 46 -10.102 6.752 1.032 1.00 0.00 C ATOM 699 C ASN A 46 -11.244 7.062 0.067 1.00 0.00 C ATOM 700 O ASN A 46 -11.028 7.469 -1.058 1.00 0.00 O ATOM 701 CB ASN A 46 -8.870 7.583 0.664 1.00 0.00 C ATOM 702 CG ASN A 46 -7.759 7.329 1.686 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.592 7.354 1.351 1.00 0.00 O ATOM 704 ND2 ASN A 46 -8.076 7.081 2.928 1.00 0.00 N ATOM 0 H ASN A 46 -9.064 5.071 0.228 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.399 6.997 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.526 7.319 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.125 8.642 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.344 6.908 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.056 7.060 3.210 1.00 0.00 H new ATOM 711 N GLY A 47 -12.459 6.848 0.491 1.00 0.00 N ATOM 712 CA GLY A 47 -13.615 7.105 -0.407 1.00 0.00 C ATOM 713 C GLY A 47 -13.710 5.968 -1.411 1.00 0.00 C ATOM 714 O GLY A 47 -14.682 5.240 -1.459 1.00 0.00 O ATOM 0 H GLY A 47 -12.699 6.506 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.536 7.176 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.489 8.057 -0.924 1.00 0.00 H new ATOM 718 N ASN A 48 -12.702 5.815 -2.223 1.00 0.00 N ATOM 719 CA ASN A 48 -12.719 4.731 -3.240 1.00 0.00 C ATOM 720 C ASN A 48 -11.284 4.291 -3.563 1.00 0.00 C ATOM 721 O ASN A 48 -11.040 3.158 -3.930 1.00 0.00 O ATOM 722 CB ASN A 48 -13.398 5.270 -4.501 1.00 0.00 C ATOM 723 CG ASN A 48 -13.882 4.107 -5.371 1.00 0.00 C ATOM 724 OD1 ASN A 48 -15.040 4.046 -5.735 1.00 0.00 O ATOM 725 ND2 ASN A 48 -13.038 3.175 -5.721 1.00 0.00 N ATOM 0 H ASN A 48 -11.864 6.397 -2.225 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.265 3.868 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.240 5.906 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.700 5.890 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.350 2.395 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.066 3.226 -5.416 1.00 0.00 H new ATOM 732 N ARG A 49 -10.336 5.182 -3.441 1.00 0.00 N ATOM 733 CA ARG A 49 -8.923 4.823 -3.756 1.00 0.00 C ATOM 734 C ARG A 49 -8.311 4.027 -2.600 1.00 0.00 C ATOM 735 O ARG A 49 -8.326 4.453 -1.462 1.00 0.00 O ATOM 736 CB ARG A 49 -8.110 6.107 -3.966 1.00 0.00 C ATOM 737 CG ARG A 49 -8.779 7.010 -5.040 1.00 0.00 C ATOM 738 CD ARG A 49 -8.723 8.480 -4.602 1.00 0.00 C ATOM 739 NE ARG A 49 -9.383 8.624 -3.274 1.00 0.00 N ATOM 740 CZ ARG A 49 -9.191 9.699 -2.558 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.422 10.655 -3.004 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.769 9.818 -1.394 1.00 0.00 N ATOM 0 H ARG A 49 -10.480 6.145 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.904 4.215 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.030 6.651 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.096 5.855 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.271 6.888 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.815 6.706 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.687 8.815 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.221 9.110 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.987 7.881 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.970 10.563 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.274 11.494 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.370 9.072 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.620 10.657 -0.834 1.00 0.00 H new ATOM 756 N ILE A 50 -7.758 2.880 -2.887 1.00 0.00 N ATOM 757 CA ILE A 50 -7.126 2.059 -1.813 1.00 0.00 C ATOM 758 C ILE A 50 -5.693 2.548 -1.597 1.00 0.00 C ATOM 759 O ILE A 50 -5.037 2.966 -2.530 1.00 0.00 O ATOM 760 CB ILE A 50 -7.099 0.593 -2.251 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.531 0.064 -2.338 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.305 -0.237 -1.239 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.529 -1.288 -3.049 1.00 0.00 C ATOM 0 H ILE A 50 -7.716 2.474 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.694 2.153 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.621 0.516 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.954 -0.039 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.160 0.771 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.289 -1.280 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.284 0.140 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.776 -0.163 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.549 -1.667 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.123 -1.170 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.914 -1.993 -2.489 1.00 0.00 H new ATOM 775 N GLN A 51 -5.193 2.494 -0.381 1.00 0.00 N ATOM 776 CA GLN A 51 -3.787 2.953 -0.121 1.00 0.00 C ATOM 777 C GLN A 51 -3.042 1.903 0.713 1.00 0.00 C ATOM 778 O GLN A 51 -3.605 1.243 1.563 1.00 0.00 O ATOM 779 CB GLN A 51 -3.799 4.321 0.602 1.00 0.00 C ATOM 780 CG GLN A 51 -2.589 5.160 0.149 1.00 0.00 C ATOM 781 CD GLN A 51 -2.616 6.539 0.813 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.580 6.898 1.459 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.584 7.336 0.678 1.00 0.00 N ATOM 0 H GLN A 51 -5.695 2.154 0.439 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.267 3.073 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.725 4.852 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.767 4.173 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.664 4.644 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.601 5.271 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.774 7.035 0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.591 8.257 1.115 1.00 0.00 H new ATOM 792 N ILE A 52 -1.774 1.746 0.446 1.00 0.00 N ATOM 793 CA ILE A 52 -0.941 0.744 1.172 1.00 0.00 C ATOM 794 C ILE A 52 -0.235 1.405 2.357 1.00 0.00 C ATOM 795 O ILE A 52 0.202 2.536 2.278 1.00 0.00 O ATOM 796 CB ILE A 52 0.132 0.212 0.217 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.505 -0.217 -1.114 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.851 -0.972 0.861 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.623 -1.233 -0.880 1.00 0.00 C ATOM 0 H ILE A 52 -1.270 2.282 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.583 -0.061 1.529 1.00 0.00 H new ATOM 0 HB ILE A 52 0.854 1.004 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.904 0.657 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.256 -0.650 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.614 -1.349 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.321 -0.650 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.132 -1.763 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.059 -1.522 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.216 -2.115 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.393 -0.788 -0.250 1.00 0.00 H new ATOM 811 N LYS A 53 -0.090 0.698 3.445 1.00 0.00 N ATOM 812 CA LYS A 53 0.622 1.279 4.618 1.00 0.00 C ATOM 813 C LYS A 53 2.121 1.096 4.404 1.00 0.00 C ATOM 814 O LYS A 53 2.550 0.140 3.795 1.00 0.00 O ATOM 815 CB LYS A 53 0.179 0.564 5.902 1.00 0.00 C ATOM 816 CG LYS A 53 0.559 1.400 7.130 1.00 0.00 C ATOM 817 CD LYS A 53 -0.145 0.832 8.366 1.00 0.00 C ATOM 818 CE LYS A 53 0.146 1.717 9.579 1.00 0.00 C ATOM 819 NZ LYS A 53 -0.821 1.399 10.668 1.00 0.00 N ATOM 0 H LYS A 53 -0.433 -0.254 3.572 1.00 0.00 H new ATOM 0 HA LYS A 53 0.387 2.339 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.899 0.401 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.649 -0.418 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.639 1.386 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.271 2.440 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.220 0.779 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.197 -0.185 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.167 1.554 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.067 2.769 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.624 2.000 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.790 1.576 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.724 0.399 10.937 1.00 0.00 H new ATOM 833 N ARG A 54 2.924 2.009 4.883 1.00 0.00 N ATOM 834 CA ARG A 54 4.402 1.885 4.689 1.00 0.00 C ATOM 835 C ARG A 54 5.047 1.346 5.970 1.00 0.00 C ATOM 836 O ARG A 54 5.939 0.530 5.927 1.00 0.00 O ATOM 837 CB ARG A 54 4.994 3.261 4.361 1.00 0.00 C ATOM 838 CG ARG A 54 4.921 4.176 5.590 1.00 0.00 C ATOM 839 CD ARG A 54 5.124 5.638 5.165 1.00 0.00 C ATOM 840 NE ARG A 54 5.619 6.428 6.328 1.00 0.00 N ATOM 841 CZ ARG A 54 6.136 7.612 6.139 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.200 8.112 4.936 1.00 0.00 N ATOM 843 NH2 ARG A 54 6.587 8.297 7.155 1.00 0.00 N ATOM 0 H ARG A 54 2.623 2.835 5.400 1.00 0.00 H new ATOM 0 HA ARG A 54 4.600 1.198 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.030 3.152 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.449 3.711 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.955 4.062 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.684 3.889 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.838 5.693 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.186 6.056 4.801 1.00 0.00 H new ATOM 0 HE ARG A 54 5.554 6.044 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.846 7.578 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.604 9.037 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.535 7.907 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.991 9.222 7.008 1.00 0.00 H new ATOM 857 N LYS A 55 4.615 1.806 7.110 1.00 0.00 N ATOM 858 CA LYS A 55 5.230 1.326 8.382 1.00 0.00 C ATOM 859 C LYS A 55 5.154 -0.202 8.478 1.00 0.00 C ATOM 860 O LYS A 55 6.157 -0.885 8.458 1.00 0.00 O ATOM 861 CB LYS A 55 4.481 1.936 9.576 1.00 0.00 C ATOM 862 CG LYS A 55 4.501 3.488 9.505 1.00 0.00 C ATOM 863 CD LYS A 55 3.132 4.025 9.057 1.00 0.00 C ATOM 864 CE LYS A 55 3.184 5.553 8.972 1.00 0.00 C ATOM 865 NZ LYS A 55 3.684 6.109 10.262 1.00 0.00 N ATOM 0 H LYS A 55 3.866 2.490 7.218 1.00 0.00 H new ATOM 0 HA LYS A 55 6.276 1.632 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.450 1.581 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.940 1.604 10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.758 3.899 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.272 3.816 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.865 3.605 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.360 3.716 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.837 5.860 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.192 5.949 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.244 7.035 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.441 5.460 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.717 6.220 10.215 1.00 0.00 H new ATOM 879 N GLN A 56 3.976 -0.744 8.600 1.00 0.00 N ATOM 880 CA GLN A 56 3.842 -2.225 8.728 1.00 0.00 C ATOM 881 C GLN A 56 4.357 -2.932 7.470 1.00 0.00 C ATOM 882 O GLN A 56 4.885 -4.024 7.539 1.00 0.00 O ATOM 883 CB GLN A 56 2.368 -2.580 8.941 1.00 0.00 C ATOM 884 CG GLN A 56 1.951 -2.190 10.360 1.00 0.00 C ATOM 885 CD GLN A 56 0.479 -2.545 10.577 1.00 0.00 C ATOM 886 OE1 GLN A 56 -0.400 -1.877 10.071 1.00 0.00 O ATOM 887 NE2 GLN A 56 0.173 -3.575 11.317 1.00 0.00 N ATOM 0 H GLN A 56 3.097 -0.226 8.617 1.00 0.00 H new ATOM 0 HA GLN A 56 4.437 -2.556 9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.748 -2.059 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.214 -3.648 8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.572 -2.710 11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.105 -1.122 10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.912 -4.135 11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.805 -3.820 11.471 1.00 0.00 H new ATOM 896 N PHE A 57 4.193 -2.337 6.324 1.00 0.00 N ATOM 897 CA PHE A 57 4.658 -2.998 5.069 1.00 0.00 C ATOM 898 C PHE A 57 6.171 -2.780 4.882 1.00 0.00 C ATOM 899 O PHE A 57 6.931 -3.725 4.809 1.00 0.00 O ATOM 900 CB PHE A 57 3.871 -2.405 3.885 1.00 0.00 C ATOM 901 CG PHE A 57 3.693 -3.430 2.770 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.755 -4.257 2.371 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.455 -3.538 2.124 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.577 -5.179 1.337 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.279 -4.461 1.085 1.00 0.00 C ATOM 906 CZ PHE A 57 3.341 -5.282 0.691 1.00 0.00 C ATOM 0 H PHE A 57 3.758 -1.423 6.199 1.00 0.00 H new ATOM 0 HA PHE A 57 4.481 -4.072 5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.894 -2.065 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.395 -1.531 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.712 -4.180 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.633 -2.907 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.397 -5.814 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.323 -4.539 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.207 -5.994 -0.110 1.00 0.00 H new ATOM 916 N GLU A 58 6.606 -1.551 4.776 1.00 0.00 N ATOM 917 CA GLU A 58 8.065 -1.271 4.561 1.00 0.00 C ATOM 918 C GLU A 58 8.940 -2.210 5.398 1.00 0.00 C ATOM 919 O GLU A 58 10.044 -2.538 5.012 1.00 0.00 O ATOM 920 CB GLU A 58 8.372 0.184 4.936 1.00 0.00 C ATOM 921 CG GLU A 58 9.811 0.537 4.546 1.00 0.00 C ATOM 922 CD GLU A 58 9.964 0.504 3.023 1.00 0.00 C ATOM 923 OE1 GLU A 58 8.951 0.484 2.345 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.093 0.502 2.562 1.00 0.00 O ATOM 0 H GLU A 58 6.013 -0.723 4.829 1.00 0.00 H new ATOM 0 HA GLU A 58 8.291 -1.439 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.676 0.853 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.232 0.329 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.067 1.527 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.504 -0.168 5.005 1.00 0.00 H new ATOM 931 N LYS A 59 8.479 -2.648 6.534 1.00 0.00 N ATOM 932 CA LYS A 59 9.328 -3.556 7.358 1.00 0.00 C ATOM 933 C LYS A 59 9.438 -4.921 6.691 1.00 0.00 C ATOM 934 O LYS A 59 10.467 -5.564 6.754 1.00 0.00 O ATOM 935 CB LYS A 59 8.699 -3.751 8.737 1.00 0.00 C ATOM 936 CG LYS A 59 8.744 -2.437 9.524 1.00 0.00 C ATOM 937 CD LYS A 59 10.205 -2.033 9.816 1.00 0.00 C ATOM 938 CE LYS A 59 10.281 -1.240 11.124 1.00 0.00 C ATOM 939 NZ LYS A 59 11.544 -0.448 11.152 1.00 0.00 N ATOM 0 H LYS A 59 7.565 -2.422 6.926 1.00 0.00 H new ATOM 0 HA LYS A 59 10.316 -3.105 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.667 -4.086 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.232 -4.530 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.249 -1.649 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.197 -2.548 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.830 -2.924 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.595 -1.432 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.421 -0.576 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.246 -1.919 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.596 0.091 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.359 -1.091 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.559 0.210 10.347 1.00 0.00 H new ATOM 953 N ILE A 60 8.386 -5.388 6.073 1.00 0.00 N ATOM 954 CA ILE A 60 8.438 -6.735 5.432 1.00 0.00 C ATOM 955 C ILE A 60 8.766 -6.627 3.934 1.00 0.00 C ATOM 956 O ILE A 60 8.338 -7.449 3.152 1.00 0.00 O ATOM 957 CB ILE A 60 7.084 -7.429 5.597 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.965 -6.463 5.208 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.901 -7.856 7.055 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.641 -7.225 5.109 1.00 0.00 C ATOM 0 H ILE A 60 7.496 -4.898 5.984 1.00 0.00 H new ATOM 0 HA ILE A 60 9.224 -7.313 5.919 1.00 0.00 H new ATOM 0 HB ILE A 60 7.048 -8.308 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.884 -5.667 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.195 -5.989 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.936 -8.350 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.698 -8.545 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.938 -6.977 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.844 -6.535 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.726 -8.005 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.409 -7.678 6.073 1.00 0.00 H new ATOM 972 N ILE A 61 9.518 -5.639 3.512 1.00 0.00 N ATOM 973 CA ILE A 61 9.843 -5.537 2.047 1.00 0.00 C ATOM 974 C ILE A 61 11.036 -6.446 1.710 1.00 0.00 C ATOM 975 O ILE A 61 10.932 -7.338 0.893 1.00 0.00 O ATOM 976 CB ILE A 61 10.170 -4.080 1.673 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.601 -3.994 0.193 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.307 -3.548 2.561 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.554 -4.652 -0.713 1.00 0.00 C ATOM 0 H ILE A 61 9.916 -4.909 4.103 1.00 0.00 H new ATOM 0 HA ILE A 61 8.975 -5.860 1.472 1.00 0.00 H new ATOM 0 HB ILE A 61 9.276 -3.476 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.733 -2.950 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.565 -4.485 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.530 -2.517 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.001 -3.588 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.197 -4.161 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.876 -4.581 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.443 -5.701 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.598 -4.142 -0.594 1.00 0.00 H new ATOM 991 N ASP A 62 12.168 -6.236 2.329 1.00 0.00 N ATOM 992 CA ASP A 62 13.350 -7.103 2.034 1.00 0.00 C ATOM 993 C ASP A 62 13.058 -8.520 2.532 1.00 0.00 C ATOM 994 O ASP A 62 13.857 -9.426 2.396 1.00 0.00 O ATOM 995 CB ASP A 62 14.585 -6.551 2.752 1.00 0.00 C ATOM 996 CG ASP A 62 14.678 -5.042 2.523 1.00 0.00 C ATOM 997 OD1 ASP A 62 14.510 -4.623 1.390 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.916 -4.330 3.485 1.00 0.00 O ATOM 0 H ASP A 62 12.326 -5.506 3.023 1.00 0.00 H new ATOM 0 HA ASP A 62 13.539 -7.118 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.524 -6.764 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.484 -7.042 2.380 1.00 0.00 H new ATOM 1003 N THR A 63 11.914 -8.696 3.122 1.00 0.00 N ATOM 1004 CA THR A 63 11.514 -10.024 3.667 1.00 0.00 C ATOM 1005 C THR A 63 10.887 -10.873 2.558 1.00 0.00 C ATOM 1006 O THR A 63 10.896 -12.087 2.608 1.00 0.00 O ATOM 1007 CB THR A 63 10.480 -9.751 4.770 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.146 -9.572 6.011 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.456 -10.883 4.902 1.00 0.00 C ATOM 0 H THR A 63 11.221 -7.959 3.254 1.00 0.00 H new ATOM 0 HA THR A 63 12.374 -10.567 4.060 1.00 0.00 H new ATOM 0 HB THR A 63 9.938 -8.847 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.486 -9.396 6.714 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.748 -10.642 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.920 -11.001 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.971 -11.813 5.145 1.00 0.00 H new ATOM 1017 N LEU A 64 10.314 -10.241 1.580 1.00 0.00 N ATOM 1018 CA LEU A 64 9.653 -11.005 0.490 1.00 0.00 C ATOM 1019 C LEU A 64 10.725 -11.582 -0.444 1.00 0.00 C ATOM 1020 O LEU A 64 10.906 -12.780 -0.532 1.00 0.00 O ATOM 1021 CB LEU A 64 8.694 -10.090 -0.309 1.00 0.00 C ATOM 1022 CG LEU A 64 8.112 -8.962 0.566 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.405 -7.941 -0.319 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.097 -9.536 1.552 1.00 0.00 C ATOM 0 H LEU A 64 10.274 -9.226 1.486 1.00 0.00 H new ATOM 0 HA LEU A 64 9.070 -11.817 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.228 -9.655 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.880 -10.688 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 64 8.927 -8.486 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.994 -7.144 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.117 -7.518 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.597 -8.429 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.691 -8.732 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.288 -10.017 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.587 -10.270 2.192 1.00 0.00 H new TER 1036 LEU A 64