USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HD1 : A 69 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 34 ASN : amide:sc= -2.08 X(o=-2.1,f=-2!) USER MOD Set 1.2: A 59 SER OG : rot 150:sc= -0.0407 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 159:sc= -0.0626 (180deg=-0.442) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00764) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 1.2 (180deg=-0.256) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 36 GLN : amide:sc= -3.2! C(o=-3.2!,f=-4.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -120:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.609 K(o=-0.61,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -2.4 K(o=-2.4,f=-10!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 9:sc= 0.723 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.91! C(o=-1.9!,f=-9.4!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 38:sc= 0.392 USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.496 -31.361 8.402 1.00 0.00 N ATOM 2 CA GLY A 1 -18.629 -30.746 7.738 1.00 0.00 C ATOM 3 C GLY A 1 -18.219 -29.604 6.830 1.00 0.00 C ATOM 4 O GLY A 1 -18.146 -28.453 7.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.829 -32.136 9.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.839 -31.738 7.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.006 -30.651 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.156 -31.500 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.329 -30.377 8.488 1.00 0.00 H new ATOM 8 N SER A 2 -17.949 -29.921 5.567 1.00 0.00 N ATOM 9 CA SER A 2 -17.539 -28.912 4.597 1.00 0.00 C ATOM 10 C SER A 2 -18.748 -28.337 3.867 1.00 0.00 C ATOM 11 O SER A 2 -19.115 -28.802 2.787 1.00 0.00 O ATOM 12 CB SER A 2 -16.558 -29.514 3.589 1.00 0.00 C ATOM 13 OG SER A 2 -15.336 -29.867 4.213 1.00 0.00 O ATOM 0 H SER A 2 -18.007 -30.868 5.192 1.00 0.00 H new ATOM 0 HA SER A 2 -17.045 -28.104 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.002 -30.396 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.368 -28.798 2.790 1.00 0.00 H new ATOM 0 HG SER A 2 -14.728 -30.251 3.547 1.00 0.00 H new ATOM 19 N SER A 3 -19.365 -27.322 4.464 1.00 0.00 N ATOM 20 CA SER A 3 -20.535 -26.684 3.873 1.00 0.00 C ATOM 21 C SER A 3 -20.296 -25.191 3.669 1.00 0.00 C ATOM 22 O SER A 3 -19.315 -24.636 4.161 1.00 0.00 O ATOM 23 CB SER A 3 -21.762 -26.899 4.762 1.00 0.00 C ATOM 24 OG SER A 3 -21.650 -26.168 5.970 1.00 0.00 O ATOM 0 H SER A 3 -19.074 -26.924 5.357 1.00 0.00 H new ATOM 0 HA SER A 3 -20.715 -27.141 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.661 -26.590 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.873 -27.960 4.984 1.00 0.00 H new ATOM 0 HG SER A 3 -22.447 -26.321 6.520 1.00 0.00 H new ATOM 30 N GLY A 4 -21.202 -24.547 2.939 1.00 0.00 N ATOM 31 CA GLY A 4 -21.072 -23.125 2.682 1.00 0.00 C ATOM 32 C GLY A 4 -21.360 -22.769 1.237 1.00 0.00 C ATOM 33 O GLY A 4 -20.507 -22.939 0.366 1.00 0.00 O ATOM 0 H GLY A 4 -22.023 -24.985 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.755 -22.578 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.063 -22.803 2.938 1.00 0.00 H new ATOM 37 N SER A 5 -22.567 -22.274 0.980 1.00 0.00 N ATOM 38 CA SER A 5 -22.968 -21.898 -0.370 1.00 0.00 C ATOM 39 C SER A 5 -22.378 -20.544 -0.755 1.00 0.00 C ATOM 40 O SER A 5 -22.790 -19.506 -0.237 1.00 0.00 O ATOM 41 CB SER A 5 -24.493 -21.852 -0.479 1.00 0.00 C ATOM 42 OG SER A 5 -24.901 -21.177 -1.656 1.00 0.00 O ATOM 0 H SER A 5 -23.284 -22.124 1.690 1.00 0.00 H new ATOM 0 HA SER A 5 -22.585 -22.651 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.891 -22.867 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.908 -21.349 0.395 1.00 0.00 H new ATOM 0 HG SER A 5 -25.880 -21.163 -1.702 1.00 0.00 H new ATOM 48 N SER A 6 -21.411 -20.564 -1.666 1.00 0.00 N ATOM 49 CA SER A 6 -20.761 -19.339 -2.118 1.00 0.00 C ATOM 50 C SER A 6 -21.536 -18.706 -3.270 1.00 0.00 C ATOM 51 O SER A 6 -21.764 -17.497 -3.289 1.00 0.00 O ATOM 52 CB SER A 6 -19.324 -19.631 -2.555 1.00 0.00 C ATOM 53 OG SER A 6 -18.570 -18.436 -2.658 1.00 0.00 O ATOM 0 H SER A 6 -21.060 -21.415 -2.106 1.00 0.00 H new ATOM 0 HA SER A 6 -20.745 -18.637 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.852 -20.302 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.330 -20.145 -3.516 1.00 0.00 H new ATOM 0 HG SER A 6 -17.655 -18.649 -2.937 1.00 0.00 H new ATOM 59 N GLY A 7 -21.939 -19.533 -4.230 1.00 0.00 N ATOM 60 CA GLY A 7 -22.684 -19.037 -5.372 1.00 0.00 C ATOM 61 C GLY A 7 -21.909 -18.004 -6.165 1.00 0.00 C ATOM 62 O GLY A 7 -21.666 -16.897 -5.684 1.00 0.00 O ATOM 0 H GLY A 7 -21.763 -20.538 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.943 -19.872 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.621 -18.599 -5.028 1.00 0.00 H new ATOM 66 N MET A 8 -21.520 -18.364 -7.383 1.00 0.00 N ATOM 67 CA MET A 8 -20.767 -17.459 -8.244 1.00 0.00 C ATOM 68 C MET A 8 -21.697 -16.467 -8.934 1.00 0.00 C ATOM 69 O MET A 8 -21.551 -16.188 -10.124 1.00 0.00 O ATOM 70 CB MET A 8 -19.981 -18.252 -9.290 1.00 0.00 C ATOM 71 CG MET A 8 -20.864 -19.011 -10.267 1.00 0.00 C ATOM 72 SD MET A 8 -19.935 -20.178 -11.280 1.00 0.00 S ATOM 73 CE MET A 8 -19.512 -21.421 -10.062 1.00 0.00 C ATOM 0 H MET A 8 -21.714 -19.276 -7.797 1.00 0.00 H new ATOM 0 HA MET A 8 -20.068 -16.902 -7.621 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.341 -17.568 -9.847 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.325 -18.959 -8.781 1.00 0.00 H new ATOM 0 HG2 MET A 8 -21.633 -19.549 -9.713 1.00 0.00 H new ATOM 0 HG3 MET A 8 -21.376 -18.300 -10.916 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.278 -22.359 -10.566 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.645 -21.090 -9.490 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.355 -21.572 -9.388 1.00 0.00 H new ATOM 83 N LYS A 9 -22.654 -15.936 -8.180 1.00 0.00 N ATOM 84 CA LYS A 9 -23.608 -14.974 -8.718 1.00 0.00 C ATOM 85 C LYS A 9 -23.031 -13.562 -8.689 1.00 0.00 C ATOM 86 O LYS A 9 -23.075 -12.883 -7.662 1.00 0.00 O ATOM 87 CB LYS A 9 -24.914 -15.019 -7.922 1.00 0.00 C ATOM 88 CG LYS A 9 -25.791 -16.212 -8.260 1.00 0.00 C ATOM 89 CD LYS A 9 -25.365 -17.453 -7.492 1.00 0.00 C ATOM 90 CE LYS A 9 -25.768 -18.725 -8.222 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.856 -19.024 -9.360 1.00 0.00 N ATOM 0 H LYS A 9 -22.789 -16.156 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.812 -15.243 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.680 -15.040 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -25.474 -14.103 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -26.830 -15.978 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -25.740 -16.410 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.284 -17.441 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.818 -17.442 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.763 -19.562 -7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.789 -18.624 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.368 -19.572 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.519 -18.133 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.043 -19.576 -9.018 1.00 0.00 H new ATOM 105 N PHE A 10 -22.492 -13.124 -9.822 1.00 0.00 N ATOM 106 CA PHE A 10 -21.907 -11.792 -9.925 1.00 0.00 C ATOM 107 C PHE A 10 -22.222 -11.164 -11.280 1.00 0.00 C ATOM 108 O PHE A 10 -22.844 -11.792 -12.137 1.00 0.00 O ATOM 109 CB PHE A 10 -20.392 -11.860 -9.721 1.00 0.00 C ATOM 110 CG PHE A 10 -19.992 -12.419 -8.386 1.00 0.00 C ATOM 111 CD1 PHE A 10 -20.449 -11.841 -7.213 1.00 0.00 C ATOM 112 CD2 PHE A 10 -19.157 -13.522 -8.304 1.00 0.00 C ATOM 113 CE1 PHE A 10 -20.083 -12.353 -5.982 1.00 0.00 C ATOM 114 CE2 PHE A 10 -18.788 -14.039 -7.077 1.00 0.00 C ATOM 115 CZ PHE A 10 -19.250 -13.453 -5.914 1.00 0.00 C ATOM 0 H PHE A 10 -22.448 -13.672 -10.681 1.00 0.00 H new ATOM 0 HA PHE A 10 -22.344 -11.169 -9.145 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -19.954 -12.473 -10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.974 -10.859 -9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -21.099 -10.980 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -18.791 -13.983 -9.209 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -20.448 -11.894 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -18.139 -14.901 -7.027 1.00 0.00 H new ATOM 0 HZ PHE A 10 -18.961 -13.854 -4.954 1.00 0.00 H new ATOM 125 N GLN A 11 -21.787 -9.922 -11.465 1.00 0.00 N ATOM 126 CA GLN A 11 -22.023 -9.209 -12.715 1.00 0.00 C ATOM 127 C GLN A 11 -21.676 -10.084 -13.915 1.00 0.00 C ATOM 128 O GLN A 11 -20.520 -10.455 -14.111 1.00 0.00 O ATOM 129 CB GLN A 11 -21.200 -7.920 -12.754 1.00 0.00 C ATOM 130 CG GLN A 11 -21.783 -6.800 -11.906 1.00 0.00 C ATOM 131 CD GLN A 11 -22.805 -5.971 -12.656 1.00 0.00 C ATOM 132 OE1 GLN A 11 -22.489 -5.337 -13.664 1.00 0.00 O ATOM 133 NE2 GLN A 11 -24.041 -5.971 -12.169 1.00 0.00 N ATOM 0 H GLN A 11 -21.270 -9.389 -10.766 1.00 0.00 H new ATOM 0 HA GLN A 11 -23.082 -8.958 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.188 -8.135 -12.412 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.122 -7.580 -13.787 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.249 -7.227 -11.018 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.977 -6.152 -11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.259 -6.511 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -24.772 -5.432 -12.633 1.00 0.00 H new ATOM 142 N ALA A 12 -22.687 -10.409 -14.715 1.00 0.00 N ATOM 143 CA ALA A 12 -22.488 -11.239 -15.896 1.00 0.00 C ATOM 144 C ALA A 12 -21.187 -10.881 -16.607 1.00 0.00 C ATOM 145 O ALA A 12 -20.283 -11.704 -16.749 1.00 0.00 O ATOM 146 CB ALA A 12 -23.667 -11.095 -16.847 1.00 0.00 C ATOM 0 H ALA A 12 -23.651 -10.110 -14.566 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.421 -12.277 -15.572 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.505 -11.721 -17.725 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -24.581 -11.407 -16.343 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.760 -10.054 -17.156 1.00 0.00 H new ATOM 152 N PRO A 13 -21.088 -9.624 -17.064 1.00 0.00 N ATOM 153 CA PRO A 13 -19.901 -9.129 -17.768 1.00 0.00 C ATOM 154 C PRO A 13 -18.695 -8.992 -16.845 1.00 0.00 C ATOM 155 O PRO A 13 -18.843 -8.734 -15.650 1.00 0.00 O ATOM 156 CB PRO A 13 -20.341 -7.756 -18.282 1.00 0.00 C ATOM 157 CG PRO A 13 -21.421 -7.330 -17.348 1.00 0.00 C ATOM 158 CD PRO A 13 -22.127 -8.590 -16.930 1.00 0.00 C ATOM 0 HA PRO A 13 -19.579 -9.811 -18.555 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -19.512 -7.048 -18.278 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -20.705 -7.815 -19.308 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -21.007 -6.810 -16.484 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.110 -6.640 -17.836 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.497 -8.523 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.986 -8.799 -17.567 1.00 0.00 H new ATOM 166 N ALA A 14 -17.503 -9.165 -17.406 1.00 0.00 N ATOM 167 CA ALA A 14 -16.272 -9.058 -16.633 1.00 0.00 C ATOM 168 C ALA A 14 -16.109 -7.657 -16.053 1.00 0.00 C ATOM 169 O ALA A 14 -15.701 -6.729 -16.751 1.00 0.00 O ATOM 170 CB ALA A 14 -15.073 -9.416 -17.498 1.00 0.00 C ATOM 0 H ALA A 14 -17.364 -9.380 -18.393 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.330 -9.762 -15.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.160 -9.332 -16.908 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.178 -10.439 -17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.020 -8.734 -18.347 1.00 0.00 H new ATOM 176 N ARG A 15 -16.430 -7.511 -14.771 1.00 0.00 N ATOM 177 CA ARG A 15 -16.320 -6.223 -14.098 1.00 0.00 C ATOM 178 C ARG A 15 -14.995 -6.112 -13.349 1.00 0.00 C ATOM 179 O ARG A 15 -14.568 -7.054 -12.682 1.00 0.00 O ATOM 180 CB ARG A 15 -17.485 -6.031 -13.126 1.00 0.00 C ATOM 181 CG ARG A 15 -17.193 -5.037 -12.013 1.00 0.00 C ATOM 182 CD ARG A 15 -18.442 -4.721 -11.206 1.00 0.00 C ATOM 183 NE ARG A 15 -19.349 -3.831 -11.927 1.00 0.00 N ATOM 184 CZ ARG A 15 -20.452 -3.318 -11.395 1.00 0.00 C ATOM 185 NH1 ARG A 15 -20.784 -3.604 -10.143 1.00 0.00 N ATOM 186 NH2 ARG A 15 -21.226 -2.515 -12.114 1.00 0.00 N ATOM 0 H ARG A 15 -16.768 -8.269 -14.178 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.355 -5.441 -14.856 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.359 -5.694 -13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.740 -6.994 -12.684 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.426 -5.443 -11.354 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.793 -4.118 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.961 -5.648 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.156 -4.259 -10.261 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.122 -3.591 -12.892 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.191 -4.220 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.632 -3.208 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.974 -2.291 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.073 -2.122 -11.704 1.00 0.00 H new ATOM 200 N GLU A 16 -14.351 -4.955 -13.465 1.00 0.00 N ATOM 201 CA GLU A 16 -13.074 -4.722 -12.799 1.00 0.00 C ATOM 202 C GLU A 16 -13.286 -4.161 -11.396 1.00 0.00 C ATOM 203 O GLU A 16 -14.392 -3.755 -11.038 1.00 0.00 O ATOM 204 CB GLU A 16 -12.214 -3.760 -13.621 1.00 0.00 C ATOM 205 CG GLU A 16 -11.724 -4.351 -14.933 1.00 0.00 C ATOM 206 CD GLU A 16 -11.367 -5.820 -14.814 1.00 0.00 C ATOM 207 OE1 GLU A 16 -10.568 -6.167 -13.920 1.00 0.00 O ATOM 208 OE2 GLU A 16 -11.889 -6.623 -15.616 1.00 0.00 O ATOM 0 H GLU A 16 -14.692 -4.165 -14.013 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.557 -5.678 -12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.791 -2.859 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.353 -3.456 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.496 -4.229 -15.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.851 -3.795 -15.274 1.00 0.00 H new ATOM 215 N THR A 17 -12.218 -4.141 -10.605 1.00 0.00 N ATOM 216 CA THR A 17 -12.286 -3.631 -9.242 1.00 0.00 C ATOM 217 C THR A 17 -10.924 -3.131 -8.773 1.00 0.00 C ATOM 218 O THR A 17 -9.885 -3.607 -9.232 1.00 0.00 O ATOM 219 CB THR A 17 -12.789 -4.710 -8.263 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.656 -5.623 -8.945 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.528 -4.077 -7.094 1.00 0.00 C ATOM 0 H THR A 17 -11.295 -4.472 -10.886 1.00 0.00 H new ATOM 0 HA THR A 17 -12.992 -2.800 -9.250 1.00 0.00 H new ATOM 0 HB THR A 17 -11.925 -5.250 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.970 -6.307 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.874 -4.858 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.856 -3.404 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.384 -3.515 -7.466 1.00 0.00 H new ATOM 229 N CYS A 18 -10.936 -2.170 -7.856 1.00 0.00 N ATOM 230 CA CYS A 18 -9.702 -1.605 -7.324 1.00 0.00 C ATOM 231 C CYS A 18 -9.071 -2.543 -6.299 1.00 0.00 C ATOM 232 O CYS A 18 -9.757 -3.084 -5.432 1.00 0.00 O ATOM 233 CB CYS A 18 -9.974 -0.242 -6.685 1.00 0.00 C ATOM 234 SG CYS A 18 -8.477 0.622 -6.110 1.00 0.00 S ATOM 0 H CYS A 18 -11.787 -1.766 -7.466 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.004 -1.478 -8.152 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.490 0.390 -7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.650 -0.377 -5.840 1.00 0.00 H new ATOM 239 N VAL A 19 -7.760 -2.731 -6.405 1.00 0.00 N ATOM 240 CA VAL A 19 -7.036 -3.602 -5.487 1.00 0.00 C ATOM 241 C VAL A 19 -6.523 -2.824 -4.281 1.00 0.00 C ATOM 242 O VAL A 19 -5.621 -3.277 -3.576 1.00 0.00 O ATOM 243 CB VAL A 19 -5.846 -4.288 -6.185 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.332 -5.166 -7.329 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.851 -3.251 -6.684 1.00 0.00 C ATOM 0 H VAL A 19 -7.177 -2.292 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.740 -4.364 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.339 -4.925 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.478 -5.642 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.003 -5.932 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.864 -4.554 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.017 -3.753 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.343 -2.587 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.479 -2.669 -5.841 1.00 0.00 H new ATOM 255 N GLU A 20 -7.105 -1.652 -4.048 1.00 0.00 N ATOM 256 CA GLU A 20 -6.705 -0.811 -2.926 1.00 0.00 C ATOM 257 C GLU A 20 -7.887 -0.548 -1.996 1.00 0.00 C ATOM 258 O GLU A 20 -7.776 -0.690 -0.778 1.00 0.00 O ATOM 259 CB GLU A 20 -6.135 0.516 -3.431 1.00 0.00 C ATOM 260 CG GLU A 20 -4.781 0.377 -4.107 1.00 0.00 C ATOM 261 CD GLU A 20 -3.632 0.372 -3.117 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.802 -0.190 -2.015 1.00 0.00 O ATOM 263 OE2 GLU A 20 -2.564 0.930 -3.444 1.00 0.00 O ATOM 0 H GLU A 20 -7.854 -1.264 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.933 -1.339 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.839 0.960 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.044 1.206 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.761 -0.547 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.645 1.197 -4.812 1.00 0.00 H new ATOM 270 N CYS A 21 -9.016 -0.162 -2.579 1.00 0.00 N ATOM 271 CA CYS A 21 -10.219 0.123 -1.806 1.00 0.00 C ATOM 272 C CYS A 21 -11.300 -0.918 -2.078 1.00 0.00 C ATOM 273 O CYS A 21 -12.294 -0.997 -1.357 1.00 0.00 O ATOM 274 CB CYS A 21 -10.745 1.521 -2.138 1.00 0.00 C ATOM 275 SG CYS A 21 -11.136 1.769 -3.900 1.00 0.00 S ATOM 0 H CYS A 21 -9.124 -0.039 -3.586 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.959 0.082 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.642 1.710 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.002 2.259 -1.834 1.00 0.00 H new ATOM 280 N GLN A 22 -11.098 -1.714 -3.123 1.00 0.00 N ATOM 281 CA GLN A 22 -12.056 -2.750 -3.491 1.00 0.00 C ATOM 282 C GLN A 22 -13.350 -2.134 -4.013 1.00 0.00 C ATOM 283 O GLN A 22 -14.441 -2.469 -3.550 1.00 0.00 O ATOM 284 CB GLN A 22 -12.353 -3.649 -2.290 1.00 0.00 C ATOM 285 CG GLN A 22 -11.105 -4.179 -1.603 1.00 0.00 C ATOM 286 CD GLN A 22 -10.335 -5.158 -2.468 1.00 0.00 C ATOM 287 OE1 GLN A 22 -10.847 -6.216 -2.835 1.00 0.00 O ATOM 288 NE2 GLN A 22 -9.097 -4.809 -2.799 1.00 0.00 N ATOM 0 H GLN A 22 -10.280 -1.661 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.615 -3.352 -4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.946 -3.090 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.962 -4.491 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.456 -3.343 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.388 -4.668 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.713 -3.922 -2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.531 -5.428 -3.380 1.00 0.00 H new ATOM 297 N LYS A 23 -13.222 -1.231 -4.979 1.00 0.00 N ATOM 298 CA LYS A 23 -14.381 -0.567 -5.565 1.00 0.00 C ATOM 299 C LYS A 23 -14.365 -0.687 -7.086 1.00 0.00 C ATOM 300 O LYS A 23 -13.332 -0.481 -7.725 1.00 0.00 O ATOM 301 CB LYS A 23 -14.409 0.908 -5.160 1.00 0.00 C ATOM 302 CG LYS A 23 -15.149 1.167 -3.859 1.00 0.00 C ATOM 303 CD LYS A 23 -14.364 0.661 -2.660 1.00 0.00 C ATOM 304 CE LYS A 23 -14.938 1.190 -1.355 1.00 0.00 C ATOM 305 NZ LYS A 23 -14.171 0.703 -0.175 1.00 0.00 N ATOM 0 H LYS A 23 -12.327 -0.942 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.278 -1.058 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.385 1.269 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.878 1.486 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.332 2.236 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.123 0.678 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.377 -0.429 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.322 0.967 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.929 2.280 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.979 0.881 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.809 0.188 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.412 0.067 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.756 1.513 0.328 1.00 0.00 H new ATOM 319 N THR A 24 -15.516 -1.021 -7.661 1.00 0.00 N ATOM 320 CA THR A 24 -15.634 -1.168 -9.106 1.00 0.00 C ATOM 321 C THR A 24 -14.968 -0.006 -9.833 1.00 0.00 C ATOM 322 O THR A 24 -15.519 1.093 -9.904 1.00 0.00 O ATOM 323 CB THR A 24 -17.109 -1.255 -9.543 1.00 0.00 C ATOM 324 OG1 THR A 24 -17.798 -2.228 -8.751 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.216 -1.623 -11.015 1.00 0.00 C ATOM 0 H THR A 24 -16.380 -1.195 -7.148 1.00 0.00 H new ATOM 0 HA THR A 24 -15.129 -2.096 -9.372 1.00 0.00 H new ATOM 0 HB THR A 24 -17.567 -0.277 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.735 -2.276 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.266 -1.679 -11.301 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.716 -0.864 -11.617 1.00 0.00 H new ATOM 0 HG23 THR A 24 -16.742 -2.590 -11.184 1.00 0.00 H new ATOM 333 N VAL A 25 -13.779 -0.255 -10.373 1.00 0.00 N ATOM 334 CA VAL A 25 -13.038 0.771 -11.097 1.00 0.00 C ATOM 335 C VAL A 25 -13.698 1.084 -12.435 1.00 0.00 C ATOM 336 O VAL A 25 -13.962 0.185 -13.234 1.00 0.00 O ATOM 337 CB VAL A 25 -11.580 0.340 -11.344 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.854 1.374 -12.193 1.00 0.00 C ATOM 339 CG2 VAL A 25 -10.858 0.121 -10.023 1.00 0.00 C ATOM 0 H VAL A 25 -13.308 -1.159 -10.323 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.044 1.666 -10.474 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.586 -0.604 -11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.825 1.053 -12.357 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.360 1.476 -13.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.856 2.334 -11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.829 -0.183 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.861 1.048 -9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.366 -0.659 -9.456 1.00 0.00 H new ATOM 349 N TYR A 26 -13.960 2.364 -12.674 1.00 0.00 N ATOM 350 CA TYR A 26 -14.591 2.796 -13.915 1.00 0.00 C ATOM 351 C TYR A 26 -13.563 2.915 -15.036 1.00 0.00 C ATOM 352 O TYR A 26 -12.358 3.004 -14.801 1.00 0.00 O ATOM 353 CB TYR A 26 -15.298 4.138 -13.712 1.00 0.00 C ATOM 354 CG TYR A 26 -16.727 4.003 -13.236 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.030 3.307 -12.072 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.775 4.570 -13.951 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.334 3.181 -11.634 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.081 4.451 -13.520 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.356 3.755 -12.361 1.00 0.00 C ATOM 360 OH TYR A 26 -20.657 3.632 -11.929 1.00 0.00 O ATOM 0 H TYR A 26 -13.745 3.121 -12.025 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.327 2.044 -14.200 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.737 4.729 -12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.287 4.691 -14.651 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.232 2.857 -11.500 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.564 5.113 -14.860 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.552 2.636 -10.727 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.883 4.900 -14.087 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.254 4.094 -12.554 1.00 0.00 H new ATOM 370 N PRO A 27 -14.050 2.918 -16.286 1.00 0.00 N ATOM 371 CA PRO A 27 -13.192 3.026 -17.469 1.00 0.00 C ATOM 372 C PRO A 27 -12.565 4.410 -17.606 1.00 0.00 C ATOM 373 O PRO A 27 -11.853 4.686 -18.571 1.00 0.00 O ATOM 374 CB PRO A 27 -14.154 2.758 -18.630 1.00 0.00 C ATOM 375 CG PRO A 27 -15.495 3.141 -18.108 1.00 0.00 C ATOM 376 CD PRO A 27 -15.476 2.816 -16.640 1.00 0.00 C ATOM 0 HA PRO A 27 -12.350 2.335 -17.426 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.888 3.347 -19.508 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.130 1.710 -18.930 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.689 4.201 -18.271 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.285 2.591 -18.619 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.084 3.515 -16.066 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.868 1.818 -16.444 1.00 0.00 H new ATOM 384 N MET A 28 -12.835 5.275 -16.634 1.00 0.00 N ATOM 385 CA MET A 28 -12.295 6.630 -16.646 1.00 0.00 C ATOM 386 C MET A 28 -11.168 6.775 -15.628 1.00 0.00 C ATOM 387 O MET A 28 -10.233 7.548 -15.831 1.00 0.00 O ATOM 388 CB MET A 28 -13.400 7.645 -16.349 1.00 0.00 C ATOM 389 CG MET A 28 -14.617 7.500 -17.249 1.00 0.00 C ATOM 390 SD MET A 28 -15.769 6.244 -16.661 1.00 0.00 S ATOM 391 CE MET A 28 -17.199 6.593 -17.682 1.00 0.00 C ATOM 0 H MET A 28 -13.424 5.062 -15.829 1.00 0.00 H new ATOM 0 HA MET A 28 -11.891 6.824 -17.639 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.712 7.537 -15.310 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.996 8.652 -16.457 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.132 8.458 -17.314 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.290 7.245 -18.257 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.001 5.897 -17.436 1.00 0.00 H new ATOM 0 HE2 MET A 28 -17.536 7.613 -17.500 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.932 6.482 -18.733 1.00 0.00 H new ATOM 401 N GLU A 29 -11.265 6.027 -14.533 1.00 0.00 N ATOM 402 CA GLU A 29 -10.254 6.074 -13.484 1.00 0.00 C ATOM 403 C GLU A 29 -9.502 4.750 -13.393 1.00 0.00 C ATOM 404 O GLU A 29 -8.931 4.418 -12.354 1.00 0.00 O ATOM 405 CB GLU A 29 -10.901 6.400 -12.136 1.00 0.00 C ATOM 406 CG GLU A 29 -12.107 5.534 -11.815 1.00 0.00 C ATOM 407 CD GLU A 29 -12.929 6.082 -10.664 1.00 0.00 C ATOM 408 OE1 GLU A 29 -13.648 7.081 -10.871 1.00 0.00 O ATOM 409 OE2 GLU A 29 -12.852 5.510 -9.556 1.00 0.00 O ATOM 0 H GLU A 29 -12.033 5.382 -14.350 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.542 6.859 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.158 6.280 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.204 7.447 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.737 5.453 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.771 4.527 -11.569 1.00 0.00 H new ATOM 416 N ARG A 30 -9.506 3.997 -14.488 1.00 0.00 N ATOM 417 CA ARG A 30 -8.826 2.708 -14.532 1.00 0.00 C ATOM 418 C ARG A 30 -7.344 2.886 -14.851 1.00 0.00 C ATOM 419 O ARG A 30 -6.965 3.076 -16.008 1.00 0.00 O ATOM 420 CB ARG A 30 -9.478 1.799 -15.576 1.00 0.00 C ATOM 421 CG ARG A 30 -8.829 0.429 -15.680 1.00 0.00 C ATOM 422 CD ARG A 30 -9.202 -0.267 -16.980 1.00 0.00 C ATOM 423 NE ARG A 30 -8.715 -1.643 -17.024 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.244 -2.586 -17.796 1.00 0.00 C ATOM 425 NH1 ARG A 30 -10.271 -2.302 -18.585 1.00 0.00 N ATOM 426 NH2 ARG A 30 -8.746 -3.815 -17.780 1.00 0.00 N ATOM 0 H ARG A 30 -9.973 4.257 -15.357 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.915 2.244 -13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.532 1.675 -15.329 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.434 2.288 -16.549 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.746 0.533 -15.619 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.138 -0.186 -14.835 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.286 -0.262 -17.095 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.789 0.291 -17.821 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.925 -1.894 -16.429 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.657 -1.358 -18.600 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.675 -3.028 -19.177 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.956 -4.037 -17.174 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.153 -4.538 -18.373 1.00 0.00 H new ATOM 440 N LEU A 31 -6.511 2.823 -13.819 1.00 0.00 N ATOM 441 CA LEU A 31 -5.070 2.977 -13.988 1.00 0.00 C ATOM 442 C LEU A 31 -4.356 1.639 -13.823 1.00 0.00 C ATOM 443 O LEU A 31 -4.244 1.116 -12.713 1.00 0.00 O ATOM 444 CB LEU A 31 -4.523 3.988 -12.978 1.00 0.00 C ATOM 445 CG LEU A 31 -3.013 4.223 -13.015 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.690 5.668 -12.669 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.301 3.273 -12.063 1.00 0.00 C ATOM 0 H LEU A 31 -6.808 2.666 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.885 3.345 -14.997 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.023 4.942 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.794 3.654 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.658 4.024 -14.026 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.611 5.817 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.169 6.331 -13.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.059 5.894 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.227 3.455 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.660 3.439 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.506 2.243 -12.356 1.00 0.00 H new ATOM 459 N LEU A 32 -3.874 1.091 -14.932 1.00 0.00 N ATOM 460 CA LEU A 32 -3.168 -0.186 -14.911 1.00 0.00 C ATOM 461 C LEU A 32 -1.808 -0.044 -14.235 1.00 0.00 C ATOM 462 O LEU A 32 -0.980 0.768 -14.647 1.00 0.00 O ATOM 463 CB LEU A 32 -2.990 -0.716 -16.334 1.00 0.00 C ATOM 464 CG LEU A 32 -2.958 -2.238 -16.484 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.849 -2.835 -15.633 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.304 -2.839 -16.108 1.00 0.00 C ATOM 0 H LEU A 32 -3.959 1.510 -15.858 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.766 -0.895 -14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.801 -0.327 -16.949 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.062 -0.311 -16.738 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.755 -2.477 -17.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.842 -3.918 -15.753 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.888 -2.429 -15.950 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.020 -2.587 -14.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.263 -3.922 -16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.537 -2.590 -15.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.078 -2.435 -16.761 1.00 0.00 H new ATOM 478 N ALA A 33 -1.583 -0.843 -13.196 1.00 0.00 N ATOM 479 CA ALA A 33 -0.322 -0.810 -12.466 1.00 0.00 C ATOM 480 C ALA A 33 0.061 -2.199 -11.969 1.00 0.00 C ATOM 481 O ALA A 33 -0.596 -2.759 -11.092 1.00 0.00 O ATOM 482 CB ALA A 33 -0.413 0.163 -11.299 1.00 0.00 C ATOM 0 H ALA A 33 -2.258 -1.521 -12.842 1.00 0.00 H new ATOM 0 HA ALA A 33 0.456 -0.470 -13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.536 0.178 -10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.633 1.162 -11.675 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.207 -0.153 -10.623 1.00 0.00 H new ATOM 488 N ASN A 34 1.128 -2.752 -12.537 1.00 0.00 N ATOM 489 CA ASN A 34 1.598 -4.078 -12.152 1.00 0.00 C ATOM 490 C ASN A 34 0.577 -5.147 -12.527 1.00 0.00 C ATOM 491 O ASN A 34 0.330 -6.079 -11.762 1.00 0.00 O ATOM 492 CB ASN A 34 1.876 -4.127 -10.648 1.00 0.00 C ATOM 493 CG ASN A 34 2.929 -5.157 -10.288 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.487 -5.822 -11.161 1.00 0.00 O ATOM 495 ND2 ASN A 34 3.204 -5.294 -8.996 1.00 0.00 N ATOM 0 H ASN A 34 1.683 -2.303 -13.265 1.00 0.00 H new ATOM 0 HA ASN A 34 2.523 -4.279 -12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.203 -3.144 -10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.952 -4.356 -10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.903 -5.972 -8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.716 -4.721 -8.307 1.00 0.00 H new ATOM 502 N GLN A 35 -0.014 -5.005 -13.709 1.00 0.00 N ATOM 503 CA GLN A 35 -1.009 -5.958 -14.185 1.00 0.00 C ATOM 504 C GLN A 35 -2.194 -6.032 -13.229 1.00 0.00 C ATOM 505 O GLN A 35 -2.767 -7.100 -13.017 1.00 0.00 O ATOM 506 CB GLN A 35 -0.382 -7.344 -14.346 1.00 0.00 C ATOM 507 CG GLN A 35 0.788 -7.374 -15.316 1.00 0.00 C ATOM 508 CD GLN A 35 0.937 -8.713 -16.011 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.248 -9.678 -15.678 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.839 -8.779 -16.983 1.00 0.00 N ATOM 0 H GLN A 35 0.179 -4.239 -14.354 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.369 -5.614 -15.155 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.044 -7.696 -13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.146 -8.041 -14.690 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.654 -6.593 -16.065 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.707 -7.144 -14.777 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.388 -7.954 -17.226 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.983 -9.654 -17.487 1.00 0.00 H new ATOM 519 N GLN A 36 -2.556 -4.889 -12.654 1.00 0.00 N ATOM 520 CA GLN A 36 -3.673 -4.825 -11.719 1.00 0.00 C ATOM 521 C GLN A 36 -4.392 -3.484 -11.821 1.00 0.00 C ATOM 522 O GLN A 36 -3.775 -2.457 -12.101 1.00 0.00 O ATOM 523 CB GLN A 36 -3.180 -5.045 -10.287 1.00 0.00 C ATOM 524 CG GLN A 36 -3.133 -6.509 -9.878 1.00 0.00 C ATOM 525 CD GLN A 36 -3.229 -6.698 -8.377 1.00 0.00 C ATOM 526 OE1 GLN A 36 -4.247 -7.162 -7.862 1.00 0.00 O ATOM 527 NE2 GLN A 36 -2.167 -6.341 -7.666 1.00 0.00 N ATOM 0 H GLN A 36 -2.092 -3.996 -12.819 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.377 -5.615 -11.979 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.183 -4.616 -10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.832 -4.505 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.951 -7.044 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.205 -6.953 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.344 -5.961 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.173 -6.447 -6.652 1.00 0.00 H new ATOM 536 N VAL A 37 -5.702 -3.502 -11.593 1.00 0.00 N ATOM 537 CA VAL A 37 -6.506 -2.287 -11.658 1.00 0.00 C ATOM 538 C VAL A 37 -6.287 -1.416 -10.426 1.00 0.00 C ATOM 539 O VAL A 37 -6.544 -1.840 -9.300 1.00 0.00 O ATOM 540 CB VAL A 37 -8.006 -2.613 -11.783 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.818 -1.337 -11.943 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.250 -3.560 -12.949 1.00 0.00 C ATOM 0 H VAL A 37 -6.229 -4.344 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.185 -1.742 -12.546 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.330 -3.109 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.875 -1.587 -12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.667 -0.698 -11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.495 -0.810 -12.841 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.315 -3.780 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.911 -3.093 -13.874 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.699 -4.486 -12.787 1.00 0.00 H new ATOM 552 N PHE A 38 -5.810 -0.196 -10.649 1.00 0.00 N ATOM 553 CA PHE A 38 -5.556 0.736 -9.556 1.00 0.00 C ATOM 554 C PHE A 38 -6.223 2.082 -9.823 1.00 0.00 C ATOM 555 O PHE A 38 -6.373 2.496 -10.973 1.00 0.00 O ATOM 556 CB PHE A 38 -4.050 0.930 -9.364 1.00 0.00 C ATOM 557 CG PHE A 38 -3.403 -0.163 -8.563 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.413 -0.125 -7.178 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.783 -1.229 -9.196 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.817 -1.130 -6.439 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.186 -2.237 -8.462 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.204 -2.187 -7.082 1.00 0.00 C ATOM 0 H PHE A 38 -5.592 0.170 -11.576 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.981 0.314 -8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.571 0.985 -10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.875 1.885 -8.869 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.892 0.699 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.766 -1.273 -10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.831 -1.088 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.706 -3.062 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.739 -2.974 -6.506 1.00 0.00 H new ATOM 572 N HIS A 39 -6.624 2.760 -8.752 1.00 0.00 N ATOM 573 CA HIS A 39 -7.276 4.059 -8.870 1.00 0.00 C ATOM 574 C HIS A 39 -6.244 5.181 -8.942 1.00 0.00 C ATOM 575 O HIS A 39 -5.370 5.289 -8.082 1.00 0.00 O ATOM 576 CB HIS A 39 -8.216 4.291 -7.686 1.00 0.00 C ATOM 577 CG HIS A 39 -9.616 3.821 -7.932 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.448 3.375 -6.927 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.331 3.732 -9.078 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.614 3.030 -7.445 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.569 3.237 -8.748 1.00 0.00 N ATOM 0 H HIS A 39 -6.509 2.431 -7.793 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.857 4.063 -9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.818 3.778 -6.811 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.235 5.355 -7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.991 4.000 -10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.460 2.644 -6.896 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.330 3.058 -9.403 1.00 0.00 H new ATOM 589 N ILE A 40 -6.351 6.011 -9.974 1.00 0.00 N ATOM 590 CA ILE A 40 -5.427 7.124 -10.157 1.00 0.00 C ATOM 591 C ILE A 40 -5.139 7.823 -8.833 1.00 0.00 C ATOM 592 O ILE A 40 -4.110 8.480 -8.678 1.00 0.00 O ATOM 593 CB ILE A 40 -5.980 8.155 -11.159 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.893 7.609 -12.586 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.220 9.468 -11.041 1.00 0.00 C ATOM 596 CD1 ILE A 40 -7.136 6.869 -13.027 1.00 0.00 C ATOM 0 H ILE A 40 -7.068 5.934 -10.696 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.502 6.705 -10.552 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.028 8.342 -10.925 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.710 8.436 -13.272 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.036 6.939 -12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.622 10.187 -11.755 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.328 9.862 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.164 9.298 -11.253 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.003 6.510 -14.048 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.309 6.021 -12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.993 7.541 -12.987 1.00 0.00 H new ATOM 608 N SER A 41 -6.054 7.675 -7.880 1.00 0.00 N ATOM 609 CA SER A 41 -5.899 8.293 -6.569 1.00 0.00 C ATOM 610 C SER A 41 -5.294 7.309 -5.572 1.00 0.00 C ATOM 611 O SER A 41 -4.291 7.604 -4.921 1.00 0.00 O ATOM 612 CB SER A 41 -7.250 8.793 -6.054 1.00 0.00 C ATOM 613 OG SER A 41 -7.100 9.511 -4.842 1.00 0.00 O ATOM 0 H SER A 41 -6.910 7.132 -7.992 1.00 0.00 H new ATOM 0 HA SER A 41 -5.222 9.141 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.714 9.433 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.919 7.947 -5.899 1.00 0.00 H new ATOM 0 HG SER A 41 -7.977 9.821 -4.535 1.00 0.00 H new ATOM 619 N CYS A 42 -5.912 6.139 -5.457 1.00 0.00 N ATOM 620 CA CYS A 42 -5.437 5.110 -4.540 1.00 0.00 C ATOM 621 C CYS A 42 -3.954 4.827 -4.760 1.00 0.00 C ATOM 622 O CYS A 42 -3.202 4.620 -3.807 1.00 0.00 O ATOM 623 CB CYS A 42 -6.246 3.823 -4.721 1.00 0.00 C ATOM 624 SG CYS A 42 -8.002 3.978 -4.263 1.00 0.00 S ATOM 0 H CYS A 42 -6.743 5.879 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.571 5.476 -3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.180 3.508 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.793 3.034 -4.120 1.00 0.00 H new ATOM 629 N PHE A 43 -3.541 4.819 -6.023 1.00 0.00 N ATOM 630 CA PHE A 43 -2.148 4.561 -6.369 1.00 0.00 C ATOM 631 C PHE A 43 -1.207 5.364 -5.476 1.00 0.00 C ATOM 632 O PHE A 43 -0.855 6.501 -5.791 1.00 0.00 O ATOM 633 CB PHE A 43 -1.893 4.906 -7.838 1.00 0.00 C ATOM 634 CG PHE A 43 -0.819 4.069 -8.473 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.805 2.694 -8.308 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.177 4.659 -9.235 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.182 1.922 -8.891 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.167 3.892 -9.820 1.00 0.00 C ATOM 639 CZ PHE A 43 1.169 2.522 -9.649 1.00 0.00 C ATOM 0 H PHE A 43 -4.150 4.988 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.952 3.500 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.819 4.780 -8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.615 5.957 -7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.574 2.220 -7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.180 5.730 -9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.182 0.851 -8.754 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.938 4.364 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.940 1.921 -10.107 1.00 0.00 H new ATOM 649 N ARG A 44 -0.805 4.764 -4.360 1.00 0.00 N ATOM 650 CA ARG A 44 0.093 5.424 -3.420 1.00 0.00 C ATOM 651 C ARG A 44 1.010 4.410 -2.742 1.00 0.00 C ATOM 652 O ARG A 44 0.896 3.205 -2.969 1.00 0.00 O ATOM 653 CB ARG A 44 -0.710 6.187 -2.365 1.00 0.00 C ATOM 654 CG ARG A 44 -1.695 7.184 -2.953 1.00 0.00 C ATOM 655 CD ARG A 44 -2.574 7.799 -1.875 1.00 0.00 C ATOM 656 NE ARG A 44 -3.600 6.870 -1.409 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.732 7.255 -0.831 1.00 0.00 C ATOM 658 NH1 ARG A 44 -4.983 8.544 -0.649 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.617 6.349 -0.434 1.00 0.00 N ATOM 0 H ARG A 44 -1.087 3.823 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 44 0.709 6.129 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.254 5.472 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.020 6.716 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.150 7.972 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.320 6.686 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.954 8.106 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.050 8.699 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.438 5.871 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.306 9.243 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.853 8.836 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.428 5.356 -0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.486 6.645 0.010 1.00 0.00 H new ATOM 673 N CYS A 45 1.919 4.906 -1.909 1.00 0.00 N ATOM 674 CA CYS A 45 2.857 4.045 -1.198 1.00 0.00 C ATOM 675 C CYS A 45 2.209 3.446 0.046 1.00 0.00 C ATOM 676 O CYS A 45 1.495 4.131 0.779 1.00 0.00 O ATOM 677 CB CYS A 45 4.108 4.833 -0.806 1.00 0.00 C ATOM 678 SG CYS A 45 5.320 3.872 0.156 1.00 0.00 S ATOM 0 H CYS A 45 2.026 5.901 -1.710 1.00 0.00 H new ATOM 0 HA CYS A 45 3.143 3.231 -1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.590 5.203 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.808 5.705 -0.225 1.00 0.00 H new ATOM 683 N SER A 46 2.462 2.162 0.279 1.00 0.00 N ATOM 684 CA SER A 46 1.901 1.469 1.433 1.00 0.00 C ATOM 685 C SER A 46 2.698 1.782 2.695 1.00 0.00 C ATOM 686 O SER A 46 2.580 1.088 3.706 1.00 0.00 O ATOM 687 CB SER A 46 1.884 -0.041 1.188 1.00 0.00 C ATOM 688 OG SER A 46 0.720 -0.430 0.479 1.00 0.00 O ATOM 0 H SER A 46 3.052 1.580 -0.316 1.00 0.00 H new ATOM 0 HA SER A 46 0.878 1.819 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.771 -0.331 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.926 -0.568 2.141 1.00 0.00 H new ATOM 0 HG SER A 46 0.207 -1.069 1.017 1.00 0.00 H new ATOM 694 N TYR A 47 3.510 2.831 2.629 1.00 0.00 N ATOM 695 CA TYR A 47 4.329 3.237 3.765 1.00 0.00 C ATOM 696 C TYR A 47 4.037 4.681 4.160 1.00 0.00 C ATOM 697 O TYR A 47 3.715 4.969 5.313 1.00 0.00 O ATOM 698 CB TYR A 47 5.814 3.077 3.433 1.00 0.00 C ATOM 699 CG TYR A 47 6.710 3.073 4.651 1.00 0.00 C ATOM 700 CD1 TYR A 47 6.732 4.154 5.524 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.535 1.990 4.928 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.550 4.156 6.638 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.354 1.983 6.040 1.00 0.00 C ATOM 704 CZ TYR A 47 8.359 3.068 6.891 1.00 0.00 C ATOM 705 OH TYR A 47 9.175 3.064 7.999 1.00 0.00 O ATOM 0 H TYR A 47 3.619 3.416 1.800 1.00 0.00 H new ATOM 0 HA TYR A 47 4.080 2.592 4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.957 2.146 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.119 3.887 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.099 5.007 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.536 1.139 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.556 5.004 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.987 1.132 6.242 1.00 0.00 H new ATOM 0 HH TYR A 47 9.678 2.224 8.031 1.00 0.00 H new ATOM 715 N CYS A 48 4.152 5.586 3.194 1.00 0.00 N ATOM 716 CA CYS A 48 3.901 7.001 3.437 1.00 0.00 C ATOM 717 C CYS A 48 2.549 7.420 2.867 1.00 0.00 C ATOM 718 O CYS A 48 1.980 8.432 3.272 1.00 0.00 O ATOM 719 CB CYS A 48 5.013 7.852 2.820 1.00 0.00 C ATOM 720 SG CYS A 48 5.456 7.375 1.119 1.00 0.00 S ATOM 0 H CYS A 48 4.418 5.364 2.235 1.00 0.00 H new ATOM 0 HA CYS A 48 3.886 7.161 4.515 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.701 8.896 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.901 7.782 3.449 1.00 0.00 H new ATOM 725 N ASN A 49 2.042 6.633 1.923 1.00 0.00 N ATOM 726 CA ASN A 49 0.758 6.922 1.296 1.00 0.00 C ATOM 727 C ASN A 49 0.843 8.178 0.434 1.00 0.00 C ATOM 728 O ASN A 49 -0.006 9.063 0.523 1.00 0.00 O ATOM 729 CB ASN A 49 -0.326 7.095 2.362 1.00 0.00 C ATOM 730 CG ASN A 49 -1.718 7.166 1.765 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.252 8.252 1.535 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.314 6.007 1.511 1.00 0.00 N ATOM 0 H ASN A 49 2.501 5.791 1.576 1.00 0.00 H new ATOM 0 HA ASN A 49 0.498 6.080 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.277 6.263 3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.131 8.004 2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.251 5.993 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.834 5.131 1.717 1.00 0.00 H new ATOM 739 N ASN A 50 1.875 8.246 -0.401 1.00 0.00 N ATOM 740 CA ASN A 50 2.072 9.393 -1.280 1.00 0.00 C ATOM 741 C ASN A 50 1.688 9.050 -2.717 1.00 0.00 C ATOM 742 O ASN A 50 1.958 7.949 -3.197 1.00 0.00 O ATOM 743 CB ASN A 50 3.528 9.858 -1.227 1.00 0.00 C ATOM 744 CG ASN A 50 4.462 8.921 -1.968 1.00 0.00 C ATOM 745 OD1 ASN A 50 4.153 7.745 -2.162 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.612 9.439 -2.385 1.00 0.00 N ATOM 0 H ASN A 50 2.587 7.521 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 50 1.427 10.200 -0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.603 10.857 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.844 9.934 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.281 8.856 -2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.826 10.419 -2.202 1.00 0.00 H new ATOM 753 N LYS A 51 1.057 10.000 -3.398 1.00 0.00 N ATOM 754 CA LYS A 51 0.637 9.802 -4.780 1.00 0.00 C ATOM 755 C LYS A 51 1.808 9.348 -5.644 1.00 0.00 C ATOM 756 O LYS A 51 2.952 9.744 -5.416 1.00 0.00 O ATOM 757 CB LYS A 51 0.043 11.094 -5.345 1.00 0.00 C ATOM 758 CG LYS A 51 -1.466 11.188 -5.190 1.00 0.00 C ATOM 759 CD LYS A 51 -2.186 10.662 -6.420 1.00 0.00 C ATOM 760 CE LYS A 51 -3.462 11.442 -6.695 1.00 0.00 C ATOM 761 NZ LYS A 51 -3.230 12.573 -7.636 1.00 0.00 N ATOM 0 H LYS A 51 0.825 10.916 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.125 9.023 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.505 11.945 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.297 11.169 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.779 10.620 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.751 12.226 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.526 10.726 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.426 9.608 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.214 10.772 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.862 11.827 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.124 13.079 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.531 13.226 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.873 12.204 -8.541 1.00 0.00 H new ATOM 775 N LEU A 52 1.517 8.517 -6.639 1.00 0.00 N ATOM 776 CA LEU A 52 2.546 8.010 -7.540 1.00 0.00 C ATOM 777 C LEU A 52 2.031 7.944 -8.974 1.00 0.00 C ATOM 778 O LEU A 52 0.839 8.122 -9.224 1.00 0.00 O ATOM 779 CB LEU A 52 3.009 6.624 -7.088 1.00 0.00 C ATOM 780 CG LEU A 52 3.342 6.478 -5.603 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.550 5.015 -5.244 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.576 7.296 -5.250 1.00 0.00 C ATOM 0 H LEU A 52 0.576 8.180 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 52 3.392 8.697 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.230 5.904 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.892 6.352 -7.666 1.00 0.00 H new ATOM 0 HG LEU A 52 2.501 6.857 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.786 4.931 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.640 4.455 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.373 4.609 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.798 7.180 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.424 6.947 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.390 8.348 -5.469 1.00 0.00 H new ATOM 794 N SER A 53 2.937 7.686 -9.911 1.00 0.00 N ATOM 795 CA SER A 53 2.574 7.599 -11.321 1.00 0.00 C ATOM 796 C SER A 53 3.324 6.460 -12.005 1.00 0.00 C ATOM 797 O SER A 53 4.370 6.016 -11.530 1.00 0.00 O ATOM 798 CB SER A 53 2.874 8.921 -12.030 1.00 0.00 C ATOM 799 OG SER A 53 1.800 9.834 -11.883 1.00 0.00 O ATOM 0 H SER A 53 3.927 7.534 -9.720 1.00 0.00 H new ATOM 0 HA SER A 53 1.505 7.397 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.785 9.358 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.056 8.736 -13.089 1.00 0.00 H new ATOM 0 HG SER A 53 2.017 10.671 -12.343 1.00 0.00 H new ATOM 805 N LEU A 54 2.783 5.992 -13.124 1.00 0.00 N ATOM 806 CA LEU A 54 3.400 4.904 -13.876 1.00 0.00 C ATOM 807 C LEU A 54 4.838 5.250 -14.252 1.00 0.00 C ATOM 808 O LEU A 54 5.079 6.024 -15.177 1.00 0.00 O ATOM 809 CB LEU A 54 2.589 4.605 -15.138 1.00 0.00 C ATOM 810 CG LEU A 54 1.137 4.179 -14.916 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.434 3.967 -16.248 1.00 0.00 C ATOM 812 CD2 LEU A 54 1.075 2.914 -14.072 1.00 0.00 C ATOM 0 H LEU A 54 1.918 6.348 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 54 3.412 4.018 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.594 5.494 -15.768 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.097 3.817 -15.694 1.00 0.00 H new ATOM 0 HG LEU A 54 0.623 4.976 -14.379 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.598 3.664 -16.071 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.447 4.896 -16.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.949 3.189 -16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.034 2.626 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.605 2.110 -14.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.541 3.099 -13.104 1.00 0.00 H new ATOM 824 N GLY A 55 5.790 4.667 -13.529 1.00 0.00 N ATOM 825 CA GLY A 55 7.191 4.924 -13.804 1.00 0.00 C ATOM 826 C GLY A 55 8.015 5.056 -12.538 1.00 0.00 C ATOM 827 O GLY A 55 9.171 4.633 -12.493 1.00 0.00 O ATOM 0 H GLY A 55 5.616 4.022 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.593 4.114 -14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.281 5.839 -14.390 1.00 0.00 H new ATOM 831 N THR A 56 7.421 5.647 -11.506 1.00 0.00 N ATOM 832 CA THR A 56 8.108 5.837 -10.235 1.00 0.00 C ATOM 833 C THR A 56 7.720 4.755 -9.233 1.00 0.00 C ATOM 834 O THR A 56 8.573 4.208 -8.534 1.00 0.00 O ATOM 835 CB THR A 56 7.797 7.218 -9.628 1.00 0.00 C ATOM 836 OG1 THR A 56 6.403 7.311 -9.313 1.00 0.00 O ATOM 837 CG2 THR A 56 8.180 8.331 -10.592 1.00 0.00 C ATOM 0 H THR A 56 6.465 6.002 -11.526 1.00 0.00 H new ATOM 0 HA THR A 56 9.176 5.772 -10.441 1.00 0.00 H new ATOM 0 HB THR A 56 8.384 7.331 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.213 8.191 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.951 9.297 -10.142 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.247 8.275 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.616 8.220 -11.518 1.00 0.00 H new ATOM 845 N TYR A 57 6.429 4.451 -9.170 1.00 0.00 N ATOM 846 CA TYR A 57 5.927 3.435 -8.252 1.00 0.00 C ATOM 847 C TYR A 57 6.792 2.179 -8.303 1.00 0.00 C ATOM 848 O TYR A 57 7.637 2.030 -9.186 1.00 0.00 O ATOM 849 CB TYR A 57 4.477 3.083 -8.590 1.00 0.00 C ATOM 850 CG TYR A 57 4.342 2.131 -9.757 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.279 2.603 -11.062 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.278 0.758 -9.554 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.155 1.737 -12.130 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.154 -0.117 -10.617 1.00 0.00 C ATOM 855 CZ TYR A 57 4.093 0.378 -11.903 1.00 0.00 C ATOM 856 OH TYR A 57 3.970 -0.489 -12.965 1.00 0.00 O ATOM 0 H TYR A 57 5.711 4.893 -9.743 1.00 0.00 H new ATOM 0 HA TYR A 57 5.969 3.843 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.006 2.639 -7.713 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.932 4.000 -8.815 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.328 3.666 -11.244 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.326 0.368 -8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.107 2.122 -13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.105 -1.182 -10.442 1.00 0.00 H new ATOM 0 HH TYR A 57 3.941 -1.411 -12.633 1.00 0.00 H new ATOM 866 N ALA A 58 6.574 1.279 -7.350 1.00 0.00 N ATOM 867 CA ALA A 58 7.331 0.035 -7.287 1.00 0.00 C ATOM 868 C ALA A 58 6.674 -0.960 -6.336 1.00 0.00 C ATOM 869 O ALA A 58 6.620 -0.735 -5.127 1.00 0.00 O ATOM 870 CB ALA A 58 8.764 0.310 -6.858 1.00 0.00 C ATOM 0 H ALA A 58 5.879 1.388 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 58 7.340 -0.406 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.317 -0.628 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.237 0.978 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.766 0.777 -5.873 1.00 0.00 H new ATOM 876 N SER A 59 6.174 -2.059 -6.890 1.00 0.00 N ATOM 877 CA SER A 59 5.516 -3.087 -6.092 1.00 0.00 C ATOM 878 C SER A 59 6.434 -4.288 -5.887 1.00 0.00 C ATOM 879 O SER A 59 7.329 -4.544 -6.694 1.00 0.00 O ATOM 880 CB SER A 59 4.217 -3.533 -6.766 1.00 0.00 C ATOM 881 OG SER A 59 3.724 -4.727 -6.184 1.00 0.00 O ATOM 0 H SER A 59 6.212 -2.261 -7.889 1.00 0.00 H new ATOM 0 HA SER A 59 5.283 -2.660 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.469 -2.746 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.391 -3.689 -7.831 1.00 0.00 H new ATOM 0 HG SER A 59 2.746 -4.743 -6.249 1.00 0.00 H new ATOM 887 N LEU A 60 6.207 -5.020 -4.803 1.00 0.00 N ATOM 888 CA LEU A 60 7.013 -6.195 -4.491 1.00 0.00 C ATOM 889 C LEU A 60 6.135 -7.433 -4.335 1.00 0.00 C ATOM 890 O LEU A 60 6.248 -8.388 -5.104 1.00 0.00 O ATOM 891 CB LEU A 60 7.816 -5.962 -3.210 1.00 0.00 C ATOM 892 CG LEU A 60 8.851 -7.032 -2.862 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.851 -7.196 -3.996 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.566 -6.681 -1.565 1.00 0.00 C ATOM 0 H LEU A 60 5.471 -4.821 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 60 7.701 -6.362 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.328 -5.004 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.117 -5.877 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 60 8.332 -7.980 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.580 -7.962 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.326 -7.494 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.365 -6.250 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.299 -7.454 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.072 -5.722 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.839 -6.615 -0.755 1.00 0.00 H new ATOM 906 N HIS A 61 5.257 -7.408 -3.337 1.00 0.00 N ATOM 907 CA HIS A 61 4.357 -8.526 -3.082 1.00 0.00 C ATOM 908 C HIS A 61 2.900 -8.098 -3.234 1.00 0.00 C ATOM 909 O HIS A 61 2.026 -8.566 -2.507 1.00 0.00 O ATOM 910 CB HIS A 61 4.591 -9.088 -1.680 1.00 0.00 C ATOM 911 CG HIS A 61 6.032 -9.370 -1.381 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.651 -8.968 -0.216 1.00 0.00 N ATOM 913 CD2 HIS A 61 6.975 -10.020 -2.102 1.00 0.00 C ATOM 914 CE1 HIS A 61 7.914 -9.358 -0.235 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.135 -9.999 -1.368 1.00 0.00 N ATOM 0 H HIS A 61 5.150 -6.625 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 61 4.568 -9.303 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.208 -8.380 -0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.018 -10.008 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.840 -10.471 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.641 -9.182 0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.024 -10.412 -1.652 1.00 0.00 H new ATOM 924 N GLY A 62 2.648 -7.203 -4.185 1.00 0.00 N ATOM 925 CA GLY A 62 1.297 -6.725 -4.414 1.00 0.00 C ATOM 926 C GLY A 62 1.091 -5.307 -3.918 1.00 0.00 C ATOM 927 O GLY A 62 0.280 -4.562 -4.468 1.00 0.00 O ATOM 0 H GLY A 62 3.355 -6.801 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.075 -6.769 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.591 -7.388 -3.914 1.00 0.00 H new ATOM 931 N ARG A 63 1.827 -4.934 -2.876 1.00 0.00 N ATOM 932 CA ARG A 63 1.719 -3.597 -2.305 1.00 0.00 C ATOM 933 C ARG A 63 2.651 -2.624 -3.019 1.00 0.00 C ATOM 934 O ARG A 63 3.785 -2.968 -3.355 1.00 0.00 O ATOM 935 CB ARG A 63 2.046 -3.630 -0.810 1.00 0.00 C ATOM 936 CG ARG A 63 0.890 -4.104 0.056 1.00 0.00 C ATOM 937 CD ARG A 63 1.141 -3.812 1.527 1.00 0.00 C ATOM 938 NE ARG A 63 2.148 -4.702 2.098 1.00 0.00 N ATOM 939 CZ ARG A 63 2.254 -4.954 3.398 1.00 0.00 C ATOM 940 NH1 ARG A 63 1.418 -4.387 4.257 1.00 0.00 N ATOM 941 NH2 ARG A 63 3.197 -5.776 3.841 1.00 0.00 N ATOM 0 H ARG A 63 2.504 -5.538 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 63 0.693 -3.254 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.902 -4.285 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.343 -2.631 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.030 -3.613 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.744 -5.175 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.465 -2.778 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.208 -3.917 2.082 1.00 0.00 H new ATOM 0 HE ARG A 63 2.806 -5.155 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.691 -3.756 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.502 -4.582 5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.841 -6.215 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.278 -5.969 4.839 1.00 0.00 H new ATOM 955 N ILE A 64 2.166 -1.408 -3.248 1.00 0.00 N ATOM 956 CA ILE A 64 2.956 -0.385 -3.922 1.00 0.00 C ATOM 957 C ILE A 64 3.916 0.295 -2.952 1.00 0.00 C ATOM 958 O ILE A 64 3.736 0.231 -1.736 1.00 0.00 O ATOM 959 CB ILE A 64 2.057 0.684 -4.571 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.838 0.028 -5.224 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.845 1.487 -5.595 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.183 -0.837 -6.416 1.00 0.00 C ATOM 0 H ILE A 64 1.230 -1.107 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 64 3.527 -0.889 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 64 1.708 1.365 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.322 -0.580 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.142 0.806 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.196 2.239 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.684 1.979 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.220 0.819 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.271 -1.269 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.672 -0.229 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.854 -1.637 -6.103 1.00 0.00 H new ATOM 974 N TYR A 65 4.936 0.948 -3.498 1.00 0.00 N ATOM 975 CA TYR A 65 5.926 1.641 -2.681 1.00 0.00 C ATOM 976 C TYR A 65 6.631 2.729 -3.486 1.00 0.00 C ATOM 977 O TYR A 65 6.935 2.547 -4.665 1.00 0.00 O ATOM 978 CB TYR A 65 6.953 0.648 -2.136 1.00 0.00 C ATOM 979 CG TYR A 65 6.447 -0.167 -0.967 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.588 0.292 0.337 1.00 0.00 C ATOM 981 CD2 TYR A 65 5.829 -1.395 -1.166 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.128 -0.448 1.408 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.365 -2.142 -0.101 1.00 0.00 C ATOM 984 CZ TYR A 65 5.516 -1.664 1.185 1.00 0.00 C ATOM 985 OH TYR A 65 5.056 -2.406 2.248 1.00 0.00 O ATOM 0 H TYR A 65 5.099 1.012 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 65 5.406 2.111 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.253 -0.028 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.845 1.193 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.066 1.244 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.709 -1.772 -2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.247 -0.077 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.887 -3.095 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 65 4.651 -3.235 1.917 1.00 0.00 H new ATOM 995 N CYS A 66 6.888 3.861 -2.839 1.00 0.00 N ATOM 996 CA CYS A 66 7.557 4.980 -3.491 1.00 0.00 C ATOM 997 C CYS A 66 9.044 4.692 -3.675 1.00 0.00 C ATOM 998 O CYS A 66 9.673 4.051 -2.833 1.00 0.00 O ATOM 999 CB CYS A 66 7.371 6.259 -2.673 1.00 0.00 C ATOM 1000 SG CYS A 66 8.161 6.214 -1.032 1.00 0.00 S ATOM 0 H CYS A 66 6.643 4.027 -1.863 1.00 0.00 H new ATOM 0 HA CYS A 66 7.107 5.117 -4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.776 7.100 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.304 6.444 -2.546 1.00 0.00 H new ATOM 1005 N LYS A 67 9.601 5.170 -4.783 1.00 0.00 N ATOM 1006 CA LYS A 67 11.014 4.967 -5.079 1.00 0.00 C ATOM 1007 C LYS A 67 11.854 5.058 -3.809 1.00 0.00 C ATOM 1008 O LYS A 67 12.660 4.178 -3.505 1.00 0.00 O ATOM 1009 CB LYS A 67 11.497 6.002 -6.098 1.00 0.00 C ATOM 1010 CG LYS A 67 11.193 5.625 -7.538 1.00 0.00 C ATOM 1011 CD LYS A 67 12.002 4.417 -7.981 1.00 0.00 C ATOM 1012 CE LYS A 67 11.233 3.569 -8.982 1.00 0.00 C ATOM 1013 NZ LYS A 67 12.139 2.696 -9.780 1.00 0.00 N ATOM 0 H LYS A 67 9.094 5.701 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 67 11.131 3.969 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.031 6.962 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.573 6.136 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.130 5.410 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.412 6.470 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.939 4.749 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.260 3.812 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.507 2.952 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.671 4.219 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.577 2.134 -10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.816 3.286 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.657 2.058 -9.142 1.00 0.00 H new ATOM 1027 N PRO A 68 11.663 6.147 -3.049 1.00 0.00 N ATOM 1028 CA PRO A 68 12.393 6.377 -1.798 1.00 0.00 C ATOM 1029 C PRO A 68 12.393 5.150 -0.893 1.00 0.00 C ATOM 1030 O PRO A 68 13.436 4.539 -0.658 1.00 0.00 O ATOM 1031 CB PRO A 68 11.621 7.525 -1.144 1.00 0.00 C ATOM 1032 CG PRO A 68 10.982 8.248 -2.279 1.00 0.00 C ATOM 1033 CD PRO A 68 10.719 7.236 -3.350 1.00 0.00 C ATOM 0 HA PRO A 68 13.445 6.599 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.875 7.151 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.287 8.180 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.054 8.722 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.634 9.040 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.686 6.888 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.892 7.651 -4.343 1.00 0.00 H new ATOM 1041 N HIS A 69 11.216 4.794 -0.386 1.00 0.00 N ATOM 1042 CA HIS A 69 11.081 3.639 0.494 1.00 0.00 C ATOM 1043 C HIS A 69 11.546 2.365 -0.206 1.00 0.00 C ATOM 1044 O HIS A 69 12.261 1.550 0.377 1.00 0.00 O ATOM 1045 CB HIS A 69 9.629 3.484 0.948 1.00 0.00 C ATOM 1046 CG HIS A 69 9.274 4.343 2.123 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.061 4.988 2.244 1.00 0.00 N ATOM 1048 CD2 HIS A 69 9.980 4.659 3.233 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.038 5.665 3.378 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.190 5.482 3.997 1.00 0.00 N ATOM 0 H HIS A 69 10.343 5.289 -0.570 1.00 0.00 H new ATOM 0 HA HIS A 69 11.712 3.804 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.969 3.729 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.446 2.440 1.203 1.00 0.00 H new ATOM 0 HD2 HIS A 69 10.979 4.326 3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.216 6.266 3.738 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.451 5.886 4.896 1.00 0.00 H new ATOM 1058 N PHE A 70 11.134 2.201 -1.459 1.00 0.00 N ATOM 1059 CA PHE A 70 11.507 1.025 -2.238 1.00 0.00 C ATOM 1060 C PHE A 70 13.019 0.818 -2.220 1.00 0.00 C ATOM 1061 O PHE A 70 13.518 -0.134 -1.624 1.00 0.00 O ATOM 1062 CB PHE A 70 11.017 1.167 -3.680 1.00 0.00 C ATOM 1063 CG PHE A 70 11.539 0.099 -4.598 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.768 0.242 -5.221 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.800 -1.048 -4.839 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.252 -0.739 -6.066 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.278 -2.033 -5.682 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.505 -1.878 -6.298 1.00 0.00 C ATOM 0 H PHE A 70 10.542 2.867 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 70 11.034 0.154 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.927 1.142 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.317 2.143 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.355 1.131 -5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.839 -1.174 -4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.212 -0.615 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.693 -2.923 -5.859 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.879 -2.645 -6.959 1.00 0.00 H new ATOM 1078 N ASN A 71 13.741 1.718 -2.880 1.00 0.00 N ATOM 1079 CA ASN A 71 15.196 1.635 -2.941 1.00 0.00 C ATOM 1080 C ASN A 71 15.790 1.462 -1.547 1.00 0.00 C ATOM 1081 O ASN A 71 16.950 1.077 -1.400 1.00 0.00 O ATOM 1082 CB ASN A 71 15.772 2.889 -3.601 1.00 0.00 C ATOM 1083 CG ASN A 71 17.166 3.216 -3.102 1.00 0.00 C ATOM 1084 OD1 ASN A 71 18.143 2.576 -3.490 1.00 0.00 O ATOM 1085 ND2 ASN A 71 17.264 4.219 -2.236 1.00 0.00 N ATOM 0 H ASN A 71 13.343 2.513 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 71 15.460 0.763 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.800 2.748 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.112 3.734 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.176 4.486 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.427 4.722 -1.942 1.00 0.00 H new ATOM 1092 N GLN A 72 14.987 1.747 -0.527 1.00 0.00 N ATOM 1093 CA GLN A 72 15.434 1.623 0.855 1.00 0.00 C ATOM 1094 C GLN A 72 15.202 0.209 1.377 1.00 0.00 C ATOM 1095 O GLN A 72 16.150 -0.544 1.602 1.00 0.00 O ATOM 1096 CB GLN A 72 14.704 2.634 1.742 1.00 0.00 C ATOM 1097 CG GLN A 72 15.086 2.542 3.210 1.00 0.00 C ATOM 1098 CD GLN A 72 14.860 3.844 3.954 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.800 4.445 4.475 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.609 4.286 4.008 1.00 0.00 N ATOM 0 H GLN A 72 14.024 2.065 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 72 16.504 1.830 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.917 3.641 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.629 2.481 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.505 1.751 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.135 2.259 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.861 3.755 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.396 5.156 4.496 1.00 0.00 H new ATOM 1109 N LEU A 73 13.936 -0.144 1.570 1.00 0.00 N ATOM 1110 CA LEU A 73 13.578 -1.469 2.066 1.00 0.00 C ATOM 1111 C LEU A 73 14.035 -2.555 1.098 1.00 0.00 C ATOM 1112 O LEU A 73 14.509 -3.613 1.514 1.00 0.00 O ATOM 1113 CB LEU A 73 12.067 -1.564 2.281 1.00 0.00 C ATOM 1114 CG LEU A 73 11.419 -0.394 3.023 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.943 -0.291 2.672 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.603 -0.547 4.525 1.00 0.00 C ATOM 0 H LEU A 73 13.140 0.468 1.391 1.00 0.00 H new ATOM 0 HA LEU A 73 14.084 -1.622 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.587 -1.661 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.856 -2.480 2.833 1.00 0.00 H new ATOM 0 HG LEU A 73 11.911 0.527 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.499 0.547 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.834 -0.133 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.436 -1.213 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.136 0.294 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.139 -1.476 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.667 -0.569 4.761 1.00 0.00 H new ATOM 1128 N PHE A 74 13.892 -2.286 -0.195 1.00 0.00 N ATOM 1129 CA PHE A 74 14.291 -3.240 -1.224 1.00 0.00 C ATOM 1130 C PHE A 74 15.810 -3.371 -1.283 1.00 0.00 C ATOM 1131 O PHE A 74 16.357 -4.464 -1.137 1.00 0.00 O ATOM 1132 CB PHE A 74 13.751 -2.807 -2.588 1.00 0.00 C ATOM 1133 CG PHE A 74 12.255 -2.888 -2.694 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.446 -2.138 -1.856 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.658 -3.716 -3.632 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.069 -2.210 -1.952 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.281 -3.792 -3.732 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.486 -3.039 -2.890 1.00 0.00 C ATOM 0 H PHE A 74 13.503 -1.415 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 74 13.870 -4.212 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.066 -1.783 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.196 -3.433 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.896 -1.490 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.275 -4.308 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.450 -1.618 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.827 -4.440 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.410 -3.098 -2.965 1.00 0.00 H new ATOM 1148 N LYS A 75 16.487 -2.249 -1.501 1.00 0.00 N ATOM 1149 CA LYS A 75 17.943 -2.235 -1.580 1.00 0.00 C ATOM 1150 C LYS A 75 18.564 -2.338 -0.191 1.00 0.00 C ATOM 1151 O LYS A 75 17.857 -2.336 0.817 1.00 0.00 O ATOM 1152 CB LYS A 75 18.425 -0.959 -2.273 1.00 0.00 C ATOM 1153 CG LYS A 75 19.620 -1.176 -3.184 1.00 0.00 C ATOM 1154 CD LYS A 75 20.511 0.054 -3.237 1.00 0.00 C ATOM 1155 CE LYS A 75 21.358 0.075 -4.501 1.00 0.00 C ATOM 1156 NZ LYS A 75 21.936 1.423 -4.759 1.00 0.00 N ATOM 0 H LYS A 75 16.050 -1.336 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 75 18.258 -3.099 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.605 -0.541 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.686 -0.220 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.198 -2.030 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 19.274 -1.419 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.895 0.953 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.161 0.072 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.163 -0.654 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.748 -0.228 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.506 1.396 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.167 2.115 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.539 1.701 -3.958 1.00 0.00 H new ATOM 1170 N SER A 76 19.890 -2.425 -0.145 1.00 0.00 N ATOM 1171 CA SER A 76 20.606 -2.530 1.121 1.00 0.00 C ATOM 1172 C SER A 76 22.054 -2.076 0.965 1.00 0.00 C ATOM 1173 O SER A 76 22.613 -2.109 -0.132 1.00 0.00 O ATOM 1174 CB SER A 76 20.563 -3.969 1.637 1.00 0.00 C ATOM 1175 OG SER A 76 19.259 -4.317 2.069 1.00 0.00 O ATOM 0 H SER A 76 20.490 -2.425 -0.970 1.00 0.00 H new ATOM 0 HA SER A 76 20.115 -1.878 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.883 -4.651 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.266 -4.084 2.462 1.00 0.00 H new ATOM 0 HG SER A 76 18.631 -3.607 1.819 1.00 0.00 H new ATOM 1181 N LYS A 77 22.657 -1.653 2.071 1.00 0.00 N ATOM 1182 CA LYS A 77 24.041 -1.194 2.060 1.00 0.00 C ATOM 1183 C LYS A 77 24.993 -2.342 1.740 1.00 0.00 C ATOM 1184 O LYS A 77 25.000 -3.365 2.424 1.00 0.00 O ATOM 1185 CB LYS A 77 24.405 -0.577 3.413 1.00 0.00 C ATOM 1186 CG LYS A 77 25.595 0.366 3.350 1.00 0.00 C ATOM 1187 CD LYS A 77 25.608 1.324 4.529 1.00 0.00 C ATOM 1188 CE LYS A 77 27.009 1.848 4.805 1.00 0.00 C ATOM 1189 NZ LYS A 77 26.983 3.143 5.540 1.00 0.00 N ATOM 0 H LYS A 77 22.209 -1.619 2.987 1.00 0.00 H new ATOM 0 HA LYS A 77 24.140 -0.436 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.542 -0.035 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.623 -1.377 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 77 26.519 -0.212 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 77 25.563 0.933 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.939 2.160 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.227 0.817 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.564 1.112 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 77 27.541 1.976 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.957 3.466 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.476 3.853 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.498 3.015 6.451 1.00 0.00 H new ATOM 1203 N GLY A 78 25.797 -2.165 0.696 1.00 0.00 N ATOM 1204 CA GLY A 78 26.743 -3.194 0.305 1.00 0.00 C ATOM 1205 C GLY A 78 26.805 -3.382 -1.198 1.00 0.00 C ATOM 1206 O GLY A 78 26.478 -2.473 -1.959 1.00 0.00 O ATOM 0 H GLY A 78 25.810 -1.327 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 78 27.734 -2.933 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 78 26.465 -4.137 0.775 1.00 0.00 H new ATOM 1210 N ASN A 79 27.229 -4.567 -1.627 1.00 0.00 N ATOM 1211 CA ASN A 79 27.336 -4.871 -3.049 1.00 0.00 C ATOM 1212 C ASN A 79 26.741 -6.241 -3.359 1.00 0.00 C ATOM 1213 O ASN A 79 27.247 -7.267 -2.904 1.00 0.00 O ATOM 1214 CB ASN A 79 28.800 -4.827 -3.493 1.00 0.00 C ATOM 1215 CG ASN A 79 28.981 -5.264 -4.934 1.00 0.00 C ATOM 1216 OD1 ASN A 79 28.127 -5.947 -5.499 1.00 0.00 O ATOM 1217 ND2 ASN A 79 30.098 -4.870 -5.535 1.00 0.00 N ATOM 0 H ASN A 79 27.504 -5.332 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 79 26.773 -4.117 -3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 79 29.183 -3.814 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 79 29.393 -5.471 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 79 30.276 -5.133 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 79 30.778 -4.304 -5.027 1.00 0.00 H new ATOM 1224 N TYR A 80 25.663 -6.249 -4.135 1.00 0.00 N ATOM 1225 CA TYR A 80 24.997 -7.492 -4.504 1.00 0.00 C ATOM 1226 C TYR A 80 24.466 -7.423 -5.933 1.00 0.00 C ATOM 1227 O TYR A 80 24.245 -6.339 -6.473 1.00 0.00 O ATOM 1228 CB TYR A 80 23.850 -7.788 -3.536 1.00 0.00 C ATOM 1229 CG TYR A 80 24.298 -8.438 -2.247 1.00 0.00 C ATOM 1230 CD1 TYR A 80 24.706 -9.766 -2.221 1.00 0.00 C ATOM 1231 CD2 TYR A 80 24.311 -7.725 -1.054 1.00 0.00 C ATOM 1232 CE1 TYR A 80 25.116 -10.364 -1.045 1.00 0.00 C ATOM 1233 CE2 TYR A 80 24.721 -8.315 0.126 1.00 0.00 C ATOM 1234 CZ TYR A 80 25.122 -9.634 0.125 1.00 0.00 C ATOM 1235 OH TYR A 80 25.529 -10.226 1.299 1.00 0.00 O ATOM 0 H TYR A 80 25.232 -5.409 -4.521 1.00 0.00 H new ATOM 0 HA TYR A 80 25.729 -8.297 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.333 -6.857 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 80 23.128 -8.439 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.703 -10.340 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 80 23.995 -6.692 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.430 -11.397 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.727 -7.746 1.044 1.00 0.00 H new ATOM 0 HH TYR A 80 25.475 -9.575 2.030 1.00 0.00 H new ATOM 1245 N ASP A 81 24.263 -8.587 -6.539 1.00 0.00 N ATOM 1246 CA ASP A 81 23.757 -8.661 -7.905 1.00 0.00 C ATOM 1247 C ASP A 81 22.717 -7.574 -8.158 1.00 0.00 C ATOM 1248 O ASP A 81 21.903 -7.266 -7.287 1.00 0.00 O ATOM 1249 CB ASP A 81 23.149 -10.038 -8.173 1.00 0.00 C ATOM 1250 CG ASP A 81 23.114 -10.378 -9.650 1.00 0.00 C ATOM 1251 OD1 ASP A 81 24.109 -10.942 -10.152 1.00 0.00 O ATOM 1252 OD2 ASP A 81 22.093 -10.080 -10.304 1.00 0.00 O ATOM 0 H ASP A 81 24.441 -9.493 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 81 24.594 -8.504 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 81 23.725 -10.796 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 81 22.136 -10.069 -7.772 1.00 0.00 H new ATOM 1257 N GLU A 82 22.751 -6.996 -9.355 1.00 0.00 N ATOM 1258 CA GLU A 82 21.812 -5.942 -9.720 1.00 0.00 C ATOM 1259 C GLU A 82 21.125 -6.261 -11.045 1.00 0.00 C ATOM 1260 O GLU A 82 20.942 -5.385 -11.889 1.00 0.00 O ATOM 1261 CB GLU A 82 22.534 -4.597 -9.818 1.00 0.00 C ATOM 1262 CG GLU A 82 23.096 -4.110 -8.494 1.00 0.00 C ATOM 1263 CD GLU A 82 23.911 -2.839 -8.638 1.00 0.00 C ATOM 1264 OE1 GLU A 82 24.732 -2.763 -9.576 1.00 0.00 O ATOM 1265 OE2 GLU A 82 23.727 -1.920 -7.812 1.00 0.00 O ATOM 0 H GLU A 82 23.418 -7.240 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 82 21.052 -5.882 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 82 23.347 -4.682 -10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.842 -3.850 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.276 -3.934 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.721 -4.890 -8.060 1.00 0.00 H new ATOM 1272 N GLY A 83 20.746 -7.524 -11.220 1.00 0.00 N ATOM 1273 CA GLY A 83 20.085 -7.937 -12.443 1.00 0.00 C ATOM 1274 C GLY A 83 18.599 -7.638 -12.429 1.00 0.00 C ATOM 1275 O GLY A 83 17.786 -8.473 -12.824 1.00 0.00 O ATOM 0 H GLY A 83 20.885 -8.268 -10.536 1.00 0.00 H new ATOM 0 HA2 GLY A 83 20.546 -7.430 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 83 20.236 -9.006 -12.590 1.00 0.00 H new ATOM 1279 N PHE A 84 18.242 -6.442 -11.970 1.00 0.00 N ATOM 1280 CA PHE A 84 16.844 -6.036 -11.903 1.00 0.00 C ATOM 1281 C PHE A 84 16.617 -4.737 -12.672 1.00 0.00 C ATOM 1282 O PHE A 84 17.335 -3.757 -12.482 1.00 0.00 O ATOM 1283 CB PHE A 84 16.411 -5.860 -10.446 1.00 0.00 C ATOM 1284 CG PHE A 84 15.048 -5.248 -10.295 1.00 0.00 C ATOM 1285 CD1 PHE A 84 13.907 -5.992 -10.551 1.00 0.00 C ATOM 1286 CD2 PHE A 84 14.907 -3.928 -9.896 1.00 0.00 C ATOM 1287 CE1 PHE A 84 12.651 -5.431 -10.413 1.00 0.00 C ATOM 1288 CE2 PHE A 84 13.654 -3.363 -9.756 1.00 0.00 C ATOM 1289 CZ PHE A 84 12.525 -4.115 -10.016 1.00 0.00 C ATOM 0 H PHE A 84 18.902 -5.738 -11.639 1.00 0.00 H new ATOM 0 HA PHE A 84 16.242 -6.820 -12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.421 -6.832 -9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 84 17.140 -5.234 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 84 14.000 -7.022 -10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 84 15.786 -3.335 -9.692 1.00 0.00 H new ATOM 0 HE1 PHE A 84 11.770 -6.022 -10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.557 -2.334 -9.443 1.00 0.00 H new ATOM 0 HZ PHE A 84 11.545 -3.674 -9.909 1.00 0.00 H new ATOM 1299 N GLY A 85 15.613 -4.740 -13.543 1.00 0.00 N ATOM 1300 CA GLY A 85 15.309 -3.558 -14.329 1.00 0.00 C ATOM 1301 C GLY A 85 14.038 -2.870 -13.874 1.00 0.00 C ATOM 1302 O GLY A 85 13.058 -3.529 -13.526 1.00 0.00 O ATOM 0 H GLY A 85 15.005 -5.540 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.141 -2.857 -14.263 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.211 -3.838 -15.378 1.00 0.00 H new ATOM 1306 N SER A 86 14.053 -1.541 -13.874 1.00 0.00 N ATOM 1307 CA SER A 86 12.894 -0.763 -13.453 1.00 0.00 C ATOM 1308 C SER A 86 12.530 0.282 -14.503 1.00 0.00 C ATOM 1309 O SER A 86 13.322 0.585 -15.394 1.00 0.00 O ATOM 1310 CB SER A 86 13.172 -0.079 -12.112 1.00 0.00 C ATOM 1311 OG SER A 86 14.180 0.908 -12.243 1.00 0.00 O ATOM 0 H SER A 86 14.855 -0.980 -14.161 1.00 0.00 H new ATOM 0 HA SER A 86 12.052 -1.446 -13.338 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.257 0.379 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.480 -0.823 -11.378 1.00 0.00 H new ATOM 0 HG SER A 86 14.338 1.332 -11.373 1.00 0.00 H new ATOM 1317 N GLY A 87 11.324 0.830 -14.391 1.00 0.00 N ATOM 1318 CA GLY A 87 10.874 1.835 -15.337 1.00 0.00 C ATOM 1319 C GLY A 87 11.851 2.986 -15.467 1.00 0.00 C ATOM 1320 O GLY A 87 12.710 3.200 -14.611 1.00 0.00 O ATOM 0 H GLY A 87 10.650 0.596 -13.662 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.730 1.372 -16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.904 2.219 -15.021 1.00 0.00 H new ATOM 1324 N PRO A 88 11.727 3.752 -16.561 1.00 0.00 N ATOM 1325 CA PRO A 88 12.599 4.900 -16.827 1.00 0.00 C ATOM 1326 C PRO A 88 12.341 6.058 -15.869 1.00 0.00 C ATOM 1327 O PRO A 88 11.243 6.197 -15.329 1.00 0.00 O ATOM 1328 CB PRO A 88 12.232 5.300 -18.259 1.00 0.00 C ATOM 1329 CG PRO A 88 10.837 4.812 -18.443 1.00 0.00 C ATOM 1330 CD PRO A 88 10.726 3.556 -17.623 1.00 0.00 C ATOM 0 HA PRO A 88 13.652 4.651 -16.695 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.295 6.379 -18.397 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.909 4.846 -18.983 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.115 5.559 -18.112 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.629 4.612 -19.494 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.724 3.431 -17.213 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.940 2.668 -18.218 1.00 0.00 H new ATOM 1338 N SER A 89 13.360 6.886 -15.661 1.00 0.00 N ATOM 1339 CA SER A 89 13.244 8.030 -14.764 1.00 0.00 C ATOM 1340 C SER A 89 12.071 8.919 -15.166 1.00 0.00 C ATOM 1341 O SER A 89 12.066 9.509 -16.247 1.00 0.00 O ATOM 1342 CB SER A 89 14.540 8.843 -14.771 1.00 0.00 C ATOM 1343 OG SER A 89 14.890 9.234 -16.087 1.00 0.00 O ATOM 0 H SER A 89 14.275 6.786 -16.101 1.00 0.00 H new ATOM 0 HA SER A 89 13.064 7.654 -13.757 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.421 9.727 -14.145 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.346 8.251 -14.338 1.00 0.00 H new ATOM 0 HG SER A 89 14.080 9.472 -16.584 1.00 0.00 H new ATOM 1349 N SER A 90 11.077 9.010 -14.288 1.00 0.00 N ATOM 1350 CA SER A 90 9.896 9.823 -14.552 1.00 0.00 C ATOM 1351 C SER A 90 10.291 11.236 -14.971 1.00 0.00 C ATOM 1352 O SER A 90 11.470 11.586 -14.977 1.00 0.00 O ATOM 1353 CB SER A 90 9.001 9.878 -13.312 1.00 0.00 C ATOM 1354 OG SER A 90 9.605 10.641 -12.282 1.00 0.00 O ATOM 0 H SER A 90 11.066 8.531 -13.388 1.00 0.00 H new ATOM 0 HA SER A 90 9.343 9.361 -15.370 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.037 10.314 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.807 8.867 -12.954 1.00 0.00 H new ATOM 0 HG SER A 90 8.954 10.798 -11.566 1.00 0.00 H new ATOM 1360 N GLY A 91 9.295 12.043 -15.322 1.00 0.00 N ATOM 1361 CA GLY A 91 9.558 13.408 -15.737 1.00 0.00 C ATOM 1362 C GLY A 91 8.569 13.899 -16.776 1.00 0.00 C ATOM 1363 O GLY A 91 7.537 13.258 -16.970 1.00 0.00 O ATOM 0 H GLY A 91 8.311 11.776 -15.326 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.521 14.063 -14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.568 13.473 -16.142 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.504 2.588 -5.261 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.802 5.615 0.752 1.00 0.00 ZN