USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=26 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= -2.78! C(o=-2.8!,f=-2.8!) USER MOD Set 1.2: A 59 SER OG : rot 170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0809 (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 -24:sc= 0.685 USER MOD Single : A 6 SER OG : rot 13:sc= 0.883 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0174 F(o=-0.59,f=-0.017) USER MOD Single : A 23 LYS NZ :NH3+ -98:sc= 1.28 (180deg=-0.207) USER MOD Single : A 24 THR OG1 : rot 180:sc=0.000922 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= -0.0186 K(o=-0.019,f=-0.61) USER MOD Single : A 36 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -51:sc= 0.0155 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.132 K(o=-0.13,f=-3.3!) USER MOD Single : A 50 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.83) 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 -51:sc= 0.542 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.842 F(o=-2.2!,f=-0.84) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= -0.0363 (180deg=-1.07) USER MOD Single : A 71 ASN : amide:sc= -1.16! C(o=-1.2!,f=-1.8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= -0.0553 (180deg=-0.362) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.9!) 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 180:sc= 0 USER MOD Single : A 90 SER OG : rot 74:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.089 -9.637 15.043 1.00 0.00 N ATOM 2 CA GLY A 1 -25.825 -10.633 14.286 1.00 0.00 C ATOM 3 C GLY A 1 -25.390 -10.697 12.835 1.00 0.00 C ATOM 4 O GLY A 1 -24.387 -10.093 12.454 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.668 -10.081 15.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.335 -9.237 14.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.736 -8.878 15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.686 -11.611 14.747 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.890 -10.407 14.333 1.00 0.00 H new ATOM 8 N SER A 2 -26.144 -11.432 12.025 1.00 0.00 N ATOM 9 CA SER A 2 -25.828 -11.578 10.609 1.00 0.00 C ATOM 10 C SER A 2 -27.025 -11.199 9.743 1.00 0.00 C ATOM 11 O SER A 2 -28.082 -11.825 9.817 1.00 0.00 O ATOM 12 CB SER A 2 -25.399 -13.015 10.305 1.00 0.00 C ATOM 13 OG SER A 2 -24.002 -13.177 10.474 1.00 0.00 O ATOM 0 H SER A 2 -26.979 -11.936 12.325 1.00 0.00 H new ATOM 0 HA SER A 2 -25.004 -10.904 10.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.930 -13.703 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.677 -13.272 9.283 1.00 0.00 H new ATOM 0 HG SER A 2 -23.754 -14.104 10.275 1.00 0.00 H new ATOM 19 N SER A 3 -26.851 -10.168 8.922 1.00 0.00 N ATOM 20 CA SER A 3 -27.918 -9.701 8.044 1.00 0.00 C ATOM 21 C SER A 3 -27.385 -9.423 6.642 1.00 0.00 C ATOM 22 O SER A 3 -26.333 -8.807 6.476 1.00 0.00 O ATOM 23 CB SER A 3 -28.562 -8.437 8.617 1.00 0.00 C ATOM 24 OG SER A 3 -29.568 -7.940 7.751 1.00 0.00 O ATOM 0 H SER A 3 -25.981 -9.640 8.846 1.00 0.00 H new ATOM 0 HA SER A 3 -28.671 -10.486 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.994 -8.656 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.799 -7.673 8.770 1.00 0.00 H new ATOM 0 HG SER A 3 -29.965 -7.133 8.140 1.00 0.00 H new ATOM 30 N GLY A 4 -28.120 -9.884 5.634 1.00 0.00 N ATOM 31 CA GLY A 4 -27.706 -9.676 4.259 1.00 0.00 C ATOM 32 C GLY A 4 -28.745 -10.152 3.263 1.00 0.00 C ATOM 33 O GLY A 4 -28.966 -11.354 3.113 1.00 0.00 O ATOM 0 H GLY A 4 -28.994 -10.397 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.511 -8.616 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.768 -10.203 4.081 1.00 0.00 H new ATOM 37 N SER A 5 -29.385 -9.208 2.581 1.00 0.00 N ATOM 38 CA SER A 5 -30.410 -9.538 1.597 1.00 0.00 C ATOM 39 C SER A 5 -30.635 -8.374 0.636 1.00 0.00 C ATOM 40 O SER A 5 -31.066 -7.295 1.041 1.00 0.00 O ATOM 41 CB SER A 5 -31.722 -9.896 2.298 1.00 0.00 C ATOM 42 OG SER A 5 -31.518 -10.892 3.285 1.00 0.00 O ATOM 0 H SER A 5 -29.212 -8.209 2.691 1.00 0.00 H new ATOM 0 HA SER A 5 -30.065 -10.399 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.147 -9.004 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.445 -10.250 1.564 1.00 0.00 H new ATOM 0 HG SER A 5 -30.715 -11.410 3.066 1.00 0.00 H new ATOM 48 N SER A 6 -30.339 -8.603 -0.639 1.00 0.00 N ATOM 49 CA SER A 6 -30.504 -7.574 -1.659 1.00 0.00 C ATOM 50 C SER A 6 -30.602 -8.197 -3.048 1.00 0.00 C ATOM 51 O SER A 6 -30.192 -9.337 -3.260 1.00 0.00 O ATOM 52 CB SER A 6 -29.337 -6.587 -1.611 1.00 0.00 C ATOM 53 OG SER A 6 -29.438 -5.731 -0.486 1.00 0.00 O ATOM 0 H SER A 6 -29.984 -9.492 -0.991 1.00 0.00 H new ATOM 0 HA SER A 6 -31.431 -7.039 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.395 -7.134 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.322 -5.992 -2.524 1.00 0.00 H new ATOM 0 HG SER A 6 -30.108 -6.085 0.135 1.00 0.00 H new ATOM 59 N GLY A 7 -31.148 -7.438 -3.994 1.00 0.00 N ATOM 60 CA GLY A 7 -31.291 -7.931 -5.351 1.00 0.00 C ATOM 61 C GLY A 7 -29.954 -8.133 -6.037 1.00 0.00 C ATOM 62 O GLY A 7 -28.943 -7.571 -5.619 1.00 0.00 O ATOM 0 H GLY A 7 -31.494 -6.490 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.835 -8.876 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.890 -7.227 -5.929 1.00 0.00 H new ATOM 66 N MET A 8 -29.949 -8.941 -7.093 1.00 0.00 N ATOM 67 CA MET A 8 -28.727 -9.217 -7.838 1.00 0.00 C ATOM 68 C MET A 8 -28.640 -8.342 -9.084 1.00 0.00 C ATOM 69 O MET A 8 -29.045 -8.751 -10.173 1.00 0.00 O ATOM 70 CB MET A 8 -28.666 -10.694 -8.232 1.00 0.00 C ATOM 71 CG MET A 8 -28.622 -11.639 -7.043 1.00 0.00 C ATOM 72 SD MET A 8 -28.892 -13.359 -7.512 1.00 0.00 S ATOM 73 CE MET A 8 -27.271 -14.054 -7.195 1.00 0.00 C ATOM 0 H MET A 8 -30.778 -9.416 -7.451 1.00 0.00 H new ATOM 0 HA MET A 8 -27.879 -8.986 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 8 -29.535 -10.934 -8.845 1.00 0.00 H new ATOM 0 HB3 MET A 8 -27.784 -10.860 -8.851 1.00 0.00 H new ATOM 0 HG2 MET A 8 -27.655 -11.549 -6.548 1.00 0.00 H new ATOM 0 HG3 MET A 8 -29.380 -11.341 -6.319 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.277 -15.117 -7.438 1.00 0.00 H new ATOM 0 HE2 MET A 8 -26.530 -13.545 -7.812 1.00 0.00 H new ATOM 0 HE3 MET A 8 -27.019 -13.924 -6.143 1.00 0.00 H new ATOM 83 N LYS A 9 -28.111 -7.134 -8.919 1.00 0.00 N ATOM 84 CA LYS A 9 -27.970 -6.201 -10.030 1.00 0.00 C ATOM 85 C LYS A 9 -26.526 -5.729 -10.165 1.00 0.00 C ATOM 86 O LYS A 9 -26.075 -4.858 -9.422 1.00 0.00 O ATOM 87 CB LYS A 9 -28.895 -4.998 -9.833 1.00 0.00 C ATOM 88 CG LYS A 9 -28.971 -4.084 -11.043 1.00 0.00 C ATOM 89 CD LYS A 9 -30.019 -2.999 -10.859 1.00 0.00 C ATOM 90 CE LYS A 9 -31.412 -3.508 -11.194 1.00 0.00 C ATOM 91 NZ LYS A 9 -32.446 -2.450 -11.018 1.00 0.00 N ATOM 0 H LYS A 9 -27.773 -6.778 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 9 -28.250 -6.721 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -29.897 -5.356 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -28.550 -4.422 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -27.997 -3.625 -11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -29.207 -4.672 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -29.999 -2.643 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -29.779 -2.148 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -31.430 -3.866 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -31.651 -4.359 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -33.382 -2.836 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -32.446 -2.126 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -32.233 -1.648 -11.645 1.00 0.00 H new ATOM 105 N PHE A 10 -25.805 -6.309 -11.119 1.00 0.00 N ATOM 106 CA PHE A 10 -24.412 -5.947 -11.352 1.00 0.00 C ATOM 107 C PHE A 10 -23.976 -6.341 -12.760 1.00 0.00 C ATOM 108 O PHE A 10 -24.646 -7.124 -13.432 1.00 0.00 O ATOM 109 CB PHE A 10 -23.508 -6.623 -10.318 1.00 0.00 C ATOM 110 CG PHE A 10 -23.484 -5.918 -8.992 1.00 0.00 C ATOM 111 CD1 PHE A 10 -22.690 -4.799 -8.801 1.00 0.00 C ATOM 112 CD2 PHE A 10 -24.254 -6.376 -7.935 1.00 0.00 C ATOM 113 CE1 PHE A 10 -22.666 -4.148 -7.582 1.00 0.00 C ATOM 114 CE2 PHE A 10 -24.234 -5.730 -6.714 1.00 0.00 C ATOM 115 CZ PHE A 10 -23.438 -4.615 -6.537 1.00 0.00 C ATOM 0 H PHE A 10 -26.163 -7.032 -11.743 1.00 0.00 H new ATOM 0 HA PHE A 10 -24.322 -4.865 -11.252 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -23.844 -7.649 -10.169 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -22.493 -6.674 -10.712 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -22.082 -4.431 -9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -24.877 -7.248 -8.067 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -22.044 -3.275 -7.447 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -24.840 -6.096 -5.899 1.00 0.00 H new ATOM 0 HZ PHE A 10 -23.420 -4.109 -5.583 1.00 0.00 H new ATOM 125 N GLN A 11 -22.848 -5.791 -13.199 1.00 0.00 N ATOM 126 CA GLN A 11 -22.322 -6.084 -14.527 1.00 0.00 C ATOM 127 C GLN A 11 -22.321 -7.585 -14.794 1.00 0.00 C ATOM 128 O GLN A 11 -21.882 -8.374 -13.957 1.00 0.00 O ATOM 129 CB GLN A 11 -20.905 -5.527 -14.672 1.00 0.00 C ATOM 130 CG GLN A 11 -20.844 -4.008 -14.663 1.00 0.00 C ATOM 131 CD GLN A 11 -21.728 -3.382 -15.724 1.00 0.00 C ATOM 132 OE1 GLN A 11 -21.411 -3.421 -16.914 1.00 0.00 O ATOM 133 NE2 GLN A 11 -22.843 -2.801 -15.299 1.00 0.00 N ATOM 0 H GLN A 11 -22.281 -5.141 -12.655 1.00 0.00 H new ATOM 0 HA GLN A 11 -22.970 -5.604 -15.260 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.288 -5.912 -13.860 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -20.473 -5.894 -15.603 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.146 -3.642 -13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -19.814 -3.689 -14.819 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.066 -2.792 -14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -23.477 -2.363 -15.968 1.00 0.00 H new ATOM 142 N ALA A 12 -22.816 -7.974 -15.964 1.00 0.00 N ATOM 143 CA ALA A 12 -22.870 -9.381 -16.342 1.00 0.00 C ATOM 144 C ALA A 12 -21.469 -9.971 -16.465 1.00 0.00 C ATOM 145 O ALA A 12 -21.114 -10.935 -15.787 1.00 0.00 O ATOM 146 CB ALA A 12 -23.632 -9.548 -17.648 1.00 0.00 C ATOM 0 H ALA A 12 -23.186 -7.334 -16.667 1.00 0.00 H new ATOM 0 HA ALA A 12 -23.396 -9.923 -15.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.664 -10.604 -17.918 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -24.648 -9.173 -17.527 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.130 -8.987 -18.436 1.00 0.00 H new ATOM 152 N PRO A 13 -20.654 -9.380 -17.351 1.00 0.00 N ATOM 153 CA PRO A 13 -19.279 -9.832 -17.584 1.00 0.00 C ATOM 154 C PRO A 13 -18.364 -9.539 -16.400 1.00 0.00 C ATOM 155 O PRO A 13 -18.771 -8.893 -15.434 1.00 0.00 O ATOM 156 CB PRO A 13 -18.843 -9.024 -18.809 1.00 0.00 C ATOM 157 CG PRO A 13 -19.693 -7.800 -18.778 1.00 0.00 C ATOM 158 CD PRO A 13 -21.011 -8.227 -18.194 1.00 0.00 C ATOM 0 HA PRO A 13 -19.223 -10.911 -17.726 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -17.784 -8.772 -18.760 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -18.994 -9.588 -19.729 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -19.232 -7.020 -18.172 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -19.824 -7.390 -19.780 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.469 -7.429 -17.610 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.724 -8.503 -18.971 1.00 0.00 H new ATOM 166 N ALA A 14 -17.127 -10.017 -16.481 1.00 0.00 N ATOM 167 CA ALA A 14 -16.154 -9.804 -15.417 1.00 0.00 C ATOM 168 C ALA A 14 -15.707 -8.347 -15.365 1.00 0.00 C ATOM 169 O ALA A 14 -14.883 -7.912 -16.170 1.00 0.00 O ATOM 170 CB ALA A 14 -14.954 -10.720 -15.607 1.00 0.00 C ATOM 0 H ALA A 14 -16.775 -10.555 -17.273 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.633 -10.044 -14.468 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.236 -10.550 -14.805 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.282 -11.759 -15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.483 -10.508 -16.567 1.00 0.00 H new ATOM 176 N ARG A 15 -16.256 -7.597 -14.415 1.00 0.00 N ATOM 177 CA ARG A 15 -15.915 -6.188 -14.260 1.00 0.00 C ATOM 178 C ARG A 15 -14.548 -6.029 -13.600 1.00 0.00 C ATOM 179 O ARG A 15 -13.937 -7.008 -13.174 1.00 0.00 O ATOM 180 CB ARG A 15 -16.981 -5.471 -13.430 1.00 0.00 C ATOM 181 CG ARG A 15 -16.972 -5.860 -11.961 1.00 0.00 C ATOM 182 CD ARG A 15 -17.951 -5.020 -11.156 1.00 0.00 C ATOM 183 NE ARG A 15 -18.500 -5.756 -10.021 1.00 0.00 N ATOM 184 CZ ARG A 15 -19.494 -6.631 -10.123 1.00 0.00 C ATOM 185 NH1 ARG A 15 -20.046 -6.877 -11.303 1.00 0.00 N ATOM 186 NH2 ARG A 15 -19.939 -7.262 -9.043 1.00 0.00 N ATOM 0 H ARG A 15 -16.939 -7.942 -13.741 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.875 -5.739 -15.252 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.831 -4.395 -13.513 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.963 -5.689 -13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.228 -6.915 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.967 -5.737 -11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.448 -4.122 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.765 -4.692 -11.803 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.098 -5.589 -9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.707 -6.394 -12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.809 -7.549 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.517 -7.075 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.702 -7.934 -9.123 1.00 0.00 H new ATOM 200 N GLU A 16 -14.076 -4.789 -13.520 1.00 0.00 N ATOM 201 CA GLU A 16 -12.782 -4.503 -12.912 1.00 0.00 C ATOM 202 C GLU A 16 -12.951 -4.000 -11.482 1.00 0.00 C ATOM 203 O GLU A 16 -13.934 -3.332 -11.158 1.00 0.00 O ATOM 204 CB GLU A 16 -12.022 -3.466 -13.743 1.00 0.00 C ATOM 205 CG GLU A 16 -11.821 -3.875 -15.192 1.00 0.00 C ATOM 206 CD GLU A 16 -12.956 -3.421 -16.089 1.00 0.00 C ATOM 207 OE1 GLU A 16 -13.467 -2.301 -15.878 1.00 0.00 O ATOM 208 OE2 GLU A 16 -13.333 -4.185 -17.003 1.00 0.00 O ATOM 0 H GLU A 16 -14.570 -3.967 -13.868 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.209 -5.430 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.564 -2.521 -13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.048 -3.289 -13.286 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.884 -3.455 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.729 -4.960 -15.250 1.00 0.00 H new ATOM 215 N THR A 17 -11.986 -4.326 -10.628 1.00 0.00 N ATOM 216 CA THR A 17 -12.028 -3.910 -9.232 1.00 0.00 C ATOM 217 C THR A 17 -10.683 -3.348 -8.785 1.00 0.00 C ATOM 218 O THR A 17 -9.633 -3.747 -9.290 1.00 0.00 O ATOM 219 CB THR A 17 -12.415 -5.080 -8.308 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.266 -5.996 -9.007 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.122 -4.574 -7.060 1.00 0.00 C ATOM 0 H THR A 17 -11.165 -4.877 -10.879 1.00 0.00 H new ATOM 0 HA THR A 17 -12.787 -3.131 -9.157 1.00 0.00 H new ATOM 0 HB THR A 17 -11.502 -5.592 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.506 -6.738 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.385 -5.419 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.460 -3.901 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.028 -4.039 -7.346 1.00 0.00 H new ATOM 229 N CYS A 18 -10.721 -2.420 -7.835 1.00 0.00 N ATOM 230 CA CYS A 18 -9.505 -1.803 -7.319 1.00 0.00 C ATOM 231 C CYS A 18 -8.819 -2.716 -6.307 1.00 0.00 C ATOM 232 O CYS A 18 -9.459 -3.247 -5.399 1.00 0.00 O ATOM 233 CB CYS A 18 -9.828 -0.455 -6.670 1.00 0.00 C ATOM 234 SG CYS A 18 -8.370 0.431 -6.031 1.00 0.00 S ATOM 0 H CYS A 18 -11.581 -2.078 -7.407 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.825 -1.642 -8.156 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.332 0.177 -7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.529 -0.617 -5.851 1.00 0.00 H new ATOM 239 N VAL A 19 -7.512 -2.893 -6.469 1.00 0.00 N ATOM 240 CA VAL A 19 -6.738 -3.740 -5.570 1.00 0.00 C ATOM 241 C VAL A 19 -6.241 -2.951 -4.363 1.00 0.00 C ATOM 242 O VAL A 19 -5.306 -3.367 -3.680 1.00 0.00 O ATOM 243 CB VAL A 19 -5.530 -4.368 -6.291 1.00 0.00 C ATOM 244 CG1 VAL A 19 -5.995 -5.275 -7.420 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.600 -3.284 -6.815 1.00 0.00 C ATOM 0 H VAL A 19 -6.967 -2.461 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.404 -4.534 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.976 -4.975 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.128 -5.710 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.618 -6.072 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.573 -4.694 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.752 -3.745 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.140 -2.649 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.240 -2.680 -5.982 1.00 0.00 H new ATOM 255 N GLU A 20 -6.875 -1.811 -4.107 1.00 0.00 N ATOM 256 CA GLU A 20 -6.496 -0.963 -2.983 1.00 0.00 C ATOM 257 C GLU A 20 -7.664 -0.788 -2.016 1.00 0.00 C ATOM 258 O GLU A 20 -7.514 -0.954 -0.805 1.00 0.00 O ATOM 259 CB GLU A 20 -6.024 0.404 -3.482 1.00 0.00 C ATOM 260 CG GLU A 20 -4.845 0.328 -4.437 1.00 0.00 C ATOM 261 CD GLU A 20 -3.511 0.287 -3.716 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.260 -0.699 -2.991 1.00 0.00 O ATOM 263 OE2 GLU A 20 -2.720 1.239 -3.876 1.00 0.00 O ATOM 0 H GLU A 20 -7.653 -1.454 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.677 -1.450 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.853 0.906 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.748 1.019 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.944 -0.561 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.867 1.190 -5.104 1.00 0.00 H new ATOM 270 N CYS A 21 -8.829 -0.452 -2.560 1.00 0.00 N ATOM 271 CA CYS A 21 -10.024 -0.252 -1.749 1.00 0.00 C ATOM 272 C CYS A 21 -11.070 -1.322 -2.049 1.00 0.00 C ATOM 273 O CYS A 21 -12.035 -1.486 -1.303 1.00 0.00 O ATOM 274 CB CYS A 21 -10.612 1.137 -2.002 1.00 0.00 C ATOM 275 SG CYS A 21 -11.053 1.453 -3.741 1.00 0.00 S ATOM 0 H CYS A 21 -8.971 -0.312 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.738 -0.332 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.502 1.261 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.892 1.889 -1.679 1.00 0.00 H new ATOM 280 N GLN A 22 -10.871 -2.045 -3.146 1.00 0.00 N ATOM 281 CA GLN A 22 -11.797 -3.098 -3.545 1.00 0.00 C ATOM 282 C GLN A 22 -13.131 -2.509 -3.991 1.00 0.00 C ATOM 283 O GLN A 22 -14.193 -2.927 -3.528 1.00 0.00 O ATOM 284 CB GLN A 22 -12.019 -4.076 -2.390 1.00 0.00 C ATOM 285 CG GLN A 22 -10.729 -4.584 -1.767 1.00 0.00 C ATOM 286 CD GLN A 22 -10.009 -5.584 -2.651 1.00 0.00 C ATOM 287 OE1 GLN A 22 -8.978 -5.123 -3.349 1.00 0.00 O flip ATOM 288 NE2 GLN A 22 -10.375 -6.759 -2.705 1.00 0.00 N flip ATOM 0 H GLN A 22 -10.077 -1.921 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.357 -3.634 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.616 -3.587 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.598 -4.926 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.069 -3.740 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.952 -5.048 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.173 -7.071 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.880 -7.420 -3.303 1.00 0.00 H new ATOM 297 N LYS A 23 -13.070 -1.535 -4.893 1.00 0.00 N ATOM 298 CA LYS A 23 -14.273 -0.888 -5.404 1.00 0.00 C ATOM 299 C LYS A 23 -14.311 -0.936 -6.928 1.00 0.00 C ATOM 300 O LYS A 23 -13.323 -0.625 -7.594 1.00 0.00 O ATOM 301 CB LYS A 23 -14.338 0.564 -4.926 1.00 0.00 C ATOM 302 CG LYS A 23 -15.020 0.732 -3.580 1.00 0.00 C ATOM 303 CD LYS A 23 -14.174 0.167 -2.451 1.00 0.00 C ATOM 304 CE LYS A 23 -14.790 0.461 -1.092 1.00 0.00 C ATOM 305 NZ LYS A 23 -14.212 -0.400 -0.023 1.00 0.00 N ATOM 0 H LYS A 23 -12.200 -1.176 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.138 -1.429 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.325 0.962 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.869 1.159 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.212 1.789 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.988 0.231 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.068 -0.910 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.172 0.593 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.630 1.509 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.868 0.306 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.844 -1.208 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.280 -0.749 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.109 0.154 0.851 1.00 0.00 H new ATOM 319 N THR A 24 -15.459 -1.324 -7.475 1.00 0.00 N ATOM 320 CA THR A 24 -15.626 -1.412 -8.920 1.00 0.00 C ATOM 321 C THR A 24 -14.970 -0.228 -9.622 1.00 0.00 C ATOM 322 O THR A 24 -15.473 0.895 -9.568 1.00 0.00 O ATOM 323 CB THR A 24 -17.115 -1.466 -9.312 1.00 0.00 C ATOM 324 OG1 THR A 24 -17.786 -2.473 -8.547 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.274 -1.759 -10.796 1.00 0.00 C ATOM 0 H THR A 24 -16.287 -1.582 -6.938 1.00 0.00 H new ATOM 0 HA THR A 24 -15.141 -2.335 -9.238 1.00 0.00 H new ATOM 0 HB THR A 24 -17.559 -0.493 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.732 -2.500 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.334 -1.792 -11.049 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.787 -0.975 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 24 -16.815 -2.720 -11.028 1.00 0.00 H new ATOM 333 N VAL A 25 -13.845 -0.485 -10.281 1.00 0.00 N ATOM 334 CA VAL A 25 -13.121 0.560 -10.995 1.00 0.00 C ATOM 335 C VAL A 25 -13.785 0.872 -12.332 1.00 0.00 C ATOM 336 O VAL A 25 -13.961 -0.011 -13.171 1.00 0.00 O ATOM 337 CB VAL A 25 -11.655 0.158 -11.244 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.958 1.192 -12.115 1.00 0.00 C ATOM 339 CG2 VAL A 25 -10.921 -0.022 -9.924 1.00 0.00 C ATOM 0 H VAL A 25 -13.415 -1.408 -10.335 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.144 1.449 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.642 -0.795 -11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.923 0.891 -12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.472 1.266 -13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.979 2.161 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.887 -0.306 -10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.941 0.914 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.408 -0.803 -9.340 1.00 0.00 H new ATOM 349 N TYR A 26 -14.150 2.135 -12.523 1.00 0.00 N ATOM 350 CA TYR A 26 -14.797 2.565 -13.758 1.00 0.00 C ATOM 351 C TYR A 26 -13.774 2.738 -14.876 1.00 0.00 C ATOM 352 O TYR A 26 -12.571 2.851 -14.641 1.00 0.00 O ATOM 353 CB TYR A 26 -15.550 3.877 -13.533 1.00 0.00 C ATOM 354 CG TYR A 26 -16.994 3.683 -13.127 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.322 3.011 -11.956 1.00 0.00 C ATOM 356 CD2 TYR A 26 -18.029 4.172 -13.914 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.640 2.832 -11.580 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.349 3.999 -13.545 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.649 3.328 -12.378 1.00 0.00 C ATOM 360 OH TYR A 26 -20.963 3.152 -12.009 1.00 0.00 O ATOM 0 H TYR A 26 -14.009 2.879 -11.839 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.507 1.793 -14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -15.038 4.452 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.515 4.468 -14.448 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.534 2.622 -11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.798 4.696 -14.830 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.878 2.307 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -20.142 4.387 -14.167 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.549 3.562 -12.679 1.00 0.00 H new ATOM 370 N PRO A 27 -14.263 2.759 -16.125 1.00 0.00 N ATOM 371 CA PRO A 27 -13.410 2.919 -17.307 1.00 0.00 C ATOM 372 C PRO A 27 -12.818 4.321 -17.409 1.00 0.00 C ATOM 373 O PRO A 27 -12.129 4.645 -18.375 1.00 0.00 O ATOM 374 CB PRO A 27 -14.365 2.656 -18.473 1.00 0.00 C ATOM 375 CG PRO A 27 -15.715 2.992 -17.939 1.00 0.00 C ATOM 376 CD PRO A 27 -15.686 2.630 -16.480 1.00 0.00 C ATOM 0 HA PRO A 27 -12.551 2.249 -17.283 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.116 3.273 -19.336 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.315 1.617 -18.799 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.935 4.051 -18.074 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.492 2.435 -18.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.310 3.299 -15.888 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.053 1.618 -16.310 1.00 0.00 H new ATOM 384 N MET A 28 -13.093 5.149 -16.406 1.00 0.00 N ATOM 385 CA MET A 28 -12.586 6.516 -16.383 1.00 0.00 C ATOM 386 C MET A 28 -11.472 6.666 -15.352 1.00 0.00 C ATOM 387 O MET A 28 -10.593 7.515 -15.494 1.00 0.00 O ATOM 388 CB MET A 28 -13.718 7.498 -16.075 1.00 0.00 C ATOM 389 CG MET A 28 -14.851 7.456 -17.088 1.00 0.00 C ATOM 390 SD MET A 28 -16.181 8.606 -16.689 1.00 0.00 S ATOM 391 CE MET A 28 -16.432 9.396 -18.277 1.00 0.00 C ATOM 0 H MET A 28 -13.664 4.897 -15.599 1.00 0.00 H new ATOM 0 HA MET A 28 -12.178 6.742 -17.368 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.118 7.279 -15.085 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.311 8.509 -16.038 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.458 7.690 -18.077 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.253 6.444 -17.136 1.00 0.00 H new ATOM 0 HE1 MET A 28 -17.227 10.137 -18.193 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.510 9.887 -18.589 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.712 8.646 -19.016 1.00 0.00 H new ATOM 401 N GLU A 29 -11.517 5.837 -14.314 1.00 0.00 N ATOM 402 CA GLU A 29 -10.512 5.879 -13.258 1.00 0.00 C ATOM 403 C GLU A 29 -9.736 4.567 -13.193 1.00 0.00 C ATOM 404 O GLU A 29 -9.140 4.236 -12.167 1.00 0.00 O ATOM 405 CB GLU A 29 -11.171 6.162 -11.907 1.00 0.00 C ATOM 406 CG GLU A 29 -12.422 5.337 -11.654 1.00 0.00 C ATOM 407 CD GLU A 29 -12.971 5.523 -10.253 1.00 0.00 C ATOM 408 OE1 GLU A 29 -12.205 5.960 -9.369 1.00 0.00 O ATOM 409 OE2 GLU A 29 -14.166 5.230 -10.042 1.00 0.00 O ATOM 0 H GLU A 29 -12.238 5.128 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.813 6.683 -13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.450 5.966 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.427 7.220 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.187 5.613 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.196 4.283 -11.814 1.00 0.00 H new ATOM 416 N ARG A 30 -9.748 3.824 -14.295 1.00 0.00 N ATOM 417 CA ARG A 30 -9.047 2.547 -14.363 1.00 0.00 C ATOM 418 C ARG A 30 -7.584 2.750 -14.745 1.00 0.00 C ATOM 419 O ARG A 30 -7.235 2.757 -15.927 1.00 0.00 O ATOM 420 CB ARG A 30 -9.726 1.622 -15.374 1.00 0.00 C ATOM 421 CG ARG A 30 -8.984 0.314 -15.597 1.00 0.00 C ATOM 422 CD ARG A 30 -9.487 -0.407 -16.837 1.00 0.00 C ATOM 423 NE ARG A 30 -8.920 -1.748 -16.958 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.054 -2.507 -18.040 1.00 0.00 C ATOM 425 NH1 ARG A 30 -9.730 -2.060 -19.089 1.00 0.00 N ATOM 426 NH2 ARG A 30 -8.509 -3.716 -18.075 1.00 0.00 N ATOM 0 H ARG A 30 -10.235 4.084 -15.153 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.086 2.086 -13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.737 1.402 -15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.819 2.144 -16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.917 0.512 -15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.108 -0.329 -14.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.574 -0.475 -16.801 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.233 0.175 -17.723 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.393 -2.122 -16.169 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.149 -1.130 -19.067 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.831 -2.646 -19.918 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.987 -4.063 -17.271 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.612 -4.298 -18.906 1.00 0.00 H new ATOM 440 N LEU A 31 -6.732 2.915 -13.739 1.00 0.00 N ATOM 441 CA LEU A 31 -5.306 3.118 -13.970 1.00 0.00 C ATOM 442 C LEU A 31 -4.542 1.804 -13.848 1.00 0.00 C ATOM 443 O LEU A 31 -4.424 1.241 -12.759 1.00 0.00 O ATOM 444 CB LEU A 31 -4.750 4.139 -12.976 1.00 0.00 C ATOM 445 CG LEU A 31 -3.238 4.366 -13.022 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.904 5.809 -12.675 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.526 3.410 -12.078 1.00 0.00 C ATOM 0 H LEU A 31 -7.004 2.912 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.177 3.498 -14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.246 5.094 -13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.019 3.820 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.891 4.168 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.824 5.952 -12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.383 6.476 -13.392 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.265 6.035 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.451 3.586 -12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.877 3.575 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.738 2.382 -12.373 1.00 0.00 H new ATOM 459 N LEU A 32 -4.023 1.321 -14.971 1.00 0.00 N ATOM 460 CA LEU A 32 -3.267 0.074 -14.990 1.00 0.00 C ATOM 461 C LEU A 32 -1.914 0.246 -14.308 1.00 0.00 C ATOM 462 O LEU A 32 -1.166 1.173 -14.617 1.00 0.00 O ATOM 463 CB LEU A 32 -3.068 -0.403 -16.430 1.00 0.00 C ATOM 464 CG LEU A 32 -2.973 -1.916 -16.629 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.847 -2.496 -15.788 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.297 -2.583 -16.285 1.00 0.00 C ATOM 0 H LEU A 32 -4.112 1.774 -15.881 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.837 -0.675 -14.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.895 -0.029 -17.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.158 0.052 -16.820 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.752 -2.112 -17.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.795 -3.574 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.901 -2.041 -16.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.036 -2.290 -14.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.211 -3.660 -16.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.548 -2.378 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.081 -2.190 -16.932 1.00 0.00 H new ATOM 478 N ALA A 33 -1.605 -0.654 -13.381 1.00 0.00 N ATOM 479 CA ALA A 33 -0.340 -0.604 -12.658 1.00 0.00 C ATOM 480 C ALA A 33 0.086 -1.995 -12.201 1.00 0.00 C ATOM 481 O ALA A 33 -0.588 -2.624 -11.386 1.00 0.00 O ATOM 482 CB ALA A 33 -0.450 0.335 -11.467 1.00 0.00 C ATOM 0 H ALA A 33 -2.214 -1.427 -13.113 1.00 0.00 H new ATOM 0 HA ALA A 33 0.424 -0.224 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.502 0.363 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.700 1.337 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.230 -0.021 -10.794 1.00 0.00 H new ATOM 488 N ASN A 34 1.209 -2.469 -12.731 1.00 0.00 N ATOM 489 CA ASN A 34 1.724 -3.787 -12.377 1.00 0.00 C ATOM 490 C ASN A 34 0.743 -4.882 -12.784 1.00 0.00 C ATOM 491 O ASN A 34 0.553 -5.858 -12.059 1.00 0.00 O ATOM 492 CB ASN A 34 1.997 -3.864 -10.873 1.00 0.00 C ATOM 493 CG ASN A 34 3.152 -2.978 -10.449 1.00 0.00 C ATOM 494 OD1 ASN A 34 4.250 -3.063 -11.000 1.00 0.00 O ATOM 495 ND2 ASN A 34 2.910 -2.121 -9.464 1.00 0.00 N ATOM 0 H ASN A 34 1.779 -1.961 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 34 2.658 -3.942 -12.917 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.099 -3.572 -10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.215 -4.896 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.649 -1.499 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.985 -2.084 -9.036 1.00 0.00 H new ATOM 502 N GLN A 35 0.125 -4.712 -13.948 1.00 0.00 N ATOM 503 CA GLN A 35 -0.836 -5.686 -14.451 1.00 0.00 C ATOM 504 C GLN A 35 -2.010 -5.840 -13.489 1.00 0.00 C ATOM 505 O GLN A 35 -2.508 -6.944 -13.276 1.00 0.00 O ATOM 506 CB GLN A 35 -0.157 -7.039 -14.667 1.00 0.00 C ATOM 507 CG GLN A 35 1.015 -6.985 -15.633 1.00 0.00 C ATOM 508 CD GLN A 35 1.231 -8.296 -16.363 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.810 -9.356 -15.898 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.889 -8.231 -17.515 1.00 0.00 N ATOM 0 H GLN A 35 0.272 -3.909 -14.560 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.218 -5.323 -15.405 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.192 -7.418 -13.707 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.893 -7.750 -15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.844 -6.192 -16.361 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.921 -6.725 -15.085 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.220 -7.331 -17.863 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.063 -9.081 -18.052 1.00 0.00 H new ATOM 519 N GLN A 36 -2.445 -4.724 -12.912 1.00 0.00 N ATOM 520 CA GLN A 36 -3.559 -4.737 -11.972 1.00 0.00 C ATOM 521 C GLN A 36 -4.329 -3.421 -12.022 1.00 0.00 C ATOM 522 O GLN A 36 -3.760 -2.367 -12.309 1.00 0.00 O ATOM 523 CB GLN A 36 -3.053 -4.990 -10.551 1.00 0.00 C ATOM 524 CG GLN A 36 -2.939 -6.465 -10.200 1.00 0.00 C ATOM 525 CD GLN A 36 -3.043 -6.720 -8.709 1.00 0.00 C ATOM 526 OE1 GLN A 36 -3.889 -7.491 -8.257 1.00 0.00 O ATOM 527 NE2 GLN A 36 -2.179 -6.071 -7.936 1.00 0.00 N ATOM 0 H GLN A 36 -2.044 -3.801 -13.079 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.233 -5.544 -12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.077 -4.520 -10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.727 -4.507 -9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.724 -7.019 -10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.986 -6.849 -10.565 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.494 -5.441 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.201 -6.203 -6.925 1.00 0.00 H new ATOM 536 N VAL A 37 -5.627 -3.489 -11.743 1.00 0.00 N ATOM 537 CA VAL A 37 -6.474 -2.302 -11.756 1.00 0.00 C ATOM 538 C VAL A 37 -6.252 -1.454 -10.509 1.00 0.00 C ATOM 539 O VAL A 37 -6.466 -1.914 -9.387 1.00 0.00 O ATOM 540 CB VAL A 37 -7.965 -2.679 -11.849 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.826 -1.430 -11.953 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.208 -3.604 -13.031 1.00 0.00 C ATOM 0 H VAL A 37 -6.115 -4.353 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.197 -1.724 -12.638 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.245 -3.209 -10.939 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.876 -1.716 -12.018 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.673 -0.808 -11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.547 -0.869 -12.845 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.266 -3.860 -13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.912 -3.103 -13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.620 -4.514 -12.908 1.00 0.00 H new ATOM 552 N PHE A 38 -5.822 -0.214 -10.712 1.00 0.00 N ATOM 553 CA PHE A 38 -5.570 0.700 -9.604 1.00 0.00 C ATOM 554 C PHE A 38 -6.297 2.024 -9.815 1.00 0.00 C ATOM 555 O PHE A 38 -6.513 2.454 -10.949 1.00 0.00 O ATOM 556 CB PHE A 38 -4.068 0.948 -9.451 1.00 0.00 C ATOM 557 CG PHE A 38 -3.355 -0.134 -8.692 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.330 -0.124 -7.306 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.712 -1.161 -9.363 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.674 -1.118 -6.605 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.055 -2.158 -8.666 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.037 -2.137 -7.286 1.00 0.00 C ATOM 0 H PHE A 38 -5.640 0.182 -11.634 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.950 0.239 -8.692 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.621 1.041 -10.441 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.915 1.899 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.828 0.669 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.724 -1.183 -10.443 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.659 -1.098 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.556 -2.953 -9.201 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.526 -2.916 -6.740 1.00 0.00 H new ATOM 572 N HIS A 39 -6.674 2.668 -8.714 1.00 0.00 N ATOM 573 CA HIS A 39 -7.377 3.944 -8.777 1.00 0.00 C ATOM 574 C HIS A 39 -6.390 5.105 -8.852 1.00 0.00 C ATOM 575 O HIS A 39 -5.488 5.219 -8.022 1.00 0.00 O ATOM 576 CB HIS A 39 -8.287 4.110 -7.560 1.00 0.00 C ATOM 577 CG HIS A 39 -9.675 3.591 -7.774 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.471 3.125 -6.749 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.410 3.468 -8.904 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.634 2.736 -7.239 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.623 2.934 -8.545 1.00 0.00 N ATOM 0 H HIS A 39 -6.504 2.327 -7.768 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.987 3.950 -9.680 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.842 3.592 -6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.340 5.167 -7.298 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.100 3.739 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.454 2.326 -6.669 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.391 2.724 -9.183 1.00 0.00 H new ATOM 589 N ILE A 40 -6.568 5.963 -9.851 1.00 0.00 N ATOM 590 CA ILE A 40 -5.693 7.114 -10.033 1.00 0.00 C ATOM 591 C ILE A 40 -5.383 7.785 -8.700 1.00 0.00 C ATOM 592 O ILE A 40 -4.367 8.465 -8.557 1.00 0.00 O ATOM 593 CB ILE A 40 -6.319 8.152 -10.984 1.00 0.00 C ATOM 594 CG1 ILE A 40 -6.220 7.673 -12.434 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.636 9.501 -10.819 1.00 0.00 C ATOM 596 CD1 ILE A 40 -7.423 6.877 -12.890 1.00 0.00 C ATOM 0 H ILE A 40 -7.310 5.883 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.768 6.741 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.373 8.266 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.098 8.538 -13.086 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.325 7.060 -12.546 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.089 10.224 -11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.753 9.845 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.575 9.402 -11.050 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.284 6.570 -13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.534 5.993 -12.262 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.318 7.493 -12.811 1.00 0.00 H new ATOM 608 N SER A 41 -6.265 7.588 -7.725 1.00 0.00 N ATOM 609 CA SER A 41 -6.086 8.176 -6.402 1.00 0.00 C ATOM 610 C SER A 41 -5.413 7.187 -5.455 1.00 0.00 C ATOM 611 O SER A 41 -4.378 7.487 -4.859 1.00 0.00 O ATOM 612 CB SER A 41 -7.436 8.611 -5.828 1.00 0.00 C ATOM 613 OG SER A 41 -7.988 9.679 -6.577 1.00 0.00 O ATOM 0 H SER A 41 -7.110 7.026 -7.826 1.00 0.00 H new ATOM 0 HA SER A 41 -5.443 9.050 -6.503 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.125 7.766 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.311 8.917 -4.789 1.00 0.00 H new ATOM 0 HG SER A 41 -8.851 9.937 -6.191 1.00 0.00 H new ATOM 619 N CYS A 42 -6.008 6.007 -5.321 1.00 0.00 N ATOM 620 CA CYS A 42 -5.468 4.972 -4.447 1.00 0.00 C ATOM 621 C CYS A 42 -3.983 4.752 -4.717 1.00 0.00 C ATOM 622 O CYS A 42 -3.201 4.516 -3.796 1.00 0.00 O ATOM 623 CB CYS A 42 -6.233 3.661 -4.641 1.00 0.00 C ATOM 624 SG CYS A 42 -7.982 3.739 -4.138 1.00 0.00 S ATOM 0 H CYS A 42 -6.865 5.743 -5.807 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.586 5.305 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.181 3.374 -5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.737 2.876 -4.071 1.00 0.00 H new ATOM 629 N PHE A 43 -3.600 4.832 -5.987 1.00 0.00 N ATOM 630 CA PHE A 43 -2.209 4.641 -6.380 1.00 0.00 C ATOM 631 C PHE A 43 -1.275 5.456 -5.489 1.00 0.00 C ATOM 632 O PHE A 43 -1.023 6.633 -5.748 1.00 0.00 O ATOM 633 CB PHE A 43 -2.011 5.039 -7.844 1.00 0.00 C ATOM 634 CG PHE A 43 -0.889 4.302 -8.519 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.771 2.928 -8.393 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.047 4.985 -9.280 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.261 2.248 -9.012 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.080 4.310 -9.902 1.00 0.00 C ATOM 639 CZ PHE A 43 1.187 2.939 -9.768 1.00 0.00 C ATOM 0 H PHE A 43 -4.234 5.028 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.966 3.585 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.936 4.856 -8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.816 6.110 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.493 2.382 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.032 6.057 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.343 1.177 -8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.803 4.854 -10.492 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.993 2.409 -10.253 1.00 0.00 H new ATOM 649 N ARG A 44 -0.767 4.822 -4.438 1.00 0.00 N ATOM 650 CA ARG A 44 0.137 5.487 -3.508 1.00 0.00 C ATOM 651 C ARG A 44 1.050 4.477 -2.819 1.00 0.00 C ATOM 652 O ARG A 44 0.824 3.268 -2.893 1.00 0.00 O ATOM 653 CB ARG A 44 -0.660 6.267 -2.460 1.00 0.00 C ATOM 654 CG ARG A 44 -1.740 7.156 -3.054 1.00 0.00 C ATOM 655 CD ARG A 44 -2.536 7.865 -1.970 1.00 0.00 C ATOM 656 NE ARG A 44 -3.415 6.949 -1.247 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.698 6.776 -1.542 1.00 0.00 C ATOM 658 NH1 ARG A 44 -5.250 7.453 -2.540 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.433 5.923 -0.839 1.00 0.00 N ATOM 0 H ARG A 44 -0.966 3.848 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 44 0.756 6.181 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.121 5.562 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.026 6.882 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.283 7.894 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.412 6.554 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.850 8.339 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.132 8.660 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.022 6.413 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.689 8.109 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.236 7.318 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.012 5.400 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.418 5.791 -1.067 1.00 0.00 H new ATOM 673 N CYS A 45 2.083 4.979 -2.151 1.00 0.00 N ATOM 674 CA CYS A 45 3.031 4.122 -1.450 1.00 0.00 C ATOM 675 C CYS A 45 2.414 3.558 -0.173 1.00 0.00 C ATOM 676 O CYS A 45 1.662 4.243 0.520 1.00 0.00 O ATOM 677 CB CYS A 45 4.303 4.901 -1.113 1.00 0.00 C ATOM 678 SG CYS A 45 5.486 3.982 -0.077 1.00 0.00 S ATOM 0 H CYS A 45 2.285 5.976 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 45 3.285 3.291 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.797 5.189 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.027 5.822 -0.600 1.00 0.00 H new ATOM 683 N SER A 46 2.738 2.305 0.131 1.00 0.00 N ATOM 684 CA SER A 46 2.213 1.647 1.322 1.00 0.00 C ATOM 685 C SER A 46 3.036 2.015 2.553 1.00 0.00 C ATOM 686 O SER A 46 3.040 1.292 3.549 1.00 0.00 O ATOM 687 CB SER A 46 2.209 0.129 1.132 1.00 0.00 C ATOM 688 OG SER A 46 1.242 -0.487 1.965 1.00 0.00 O ATOM 0 H SER A 46 3.361 1.725 -0.431 1.00 0.00 H new ATOM 0 HA SER A 46 1.190 1.989 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.000 -0.109 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.197 -0.272 1.359 1.00 0.00 H new ATOM 0 HG SER A 46 1.354 -0.170 2.886 1.00 0.00 H new ATOM 694 N TYR A 47 3.731 3.144 2.475 1.00 0.00 N ATOM 695 CA TYR A 47 4.560 3.608 3.581 1.00 0.00 C ATOM 696 C TYR A 47 4.282 5.076 3.892 1.00 0.00 C ATOM 697 O TYR A 47 3.929 5.429 5.017 1.00 0.00 O ATOM 698 CB TYR A 47 6.041 3.417 3.251 1.00 0.00 C ATOM 699 CG TYR A 47 6.951 3.549 4.451 1.00 0.00 C ATOM 700 CD1 TYR A 47 6.984 4.722 5.196 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.778 2.503 4.840 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.814 4.848 6.293 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.611 2.620 5.936 1.00 0.00 C ATOM 704 CZ TYR A 47 8.625 3.794 6.660 1.00 0.00 C ATOM 705 OH TYR A 47 9.454 3.915 7.752 1.00 0.00 O ATOM 0 H TYR A 47 3.737 3.755 1.658 1.00 0.00 H new ATOM 0 HA TYR A 47 4.311 3.015 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.181 2.432 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.335 4.151 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.350 5.549 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.770 1.582 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.828 5.767 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.248 1.797 6.224 1.00 0.00 H new ATOM 0 HH TYR A 47 9.957 3.083 7.875 1.00 0.00 H new ATOM 715 N CYS A 48 4.444 5.928 2.885 1.00 0.00 N ATOM 716 CA CYS A 48 4.212 7.358 3.047 1.00 0.00 C ATOM 717 C CYS A 48 2.826 7.745 2.538 1.00 0.00 C ATOM 718 O CYS A 48 2.242 8.731 2.986 1.00 0.00 O ATOM 719 CB CYS A 48 5.282 8.158 2.302 1.00 0.00 C ATOM 720 SG CYS A 48 5.635 7.544 0.624 1.00 0.00 S ATOM 0 H CYS A 48 4.735 5.652 1.947 1.00 0.00 H new ATOM 0 HA CYS A 48 4.268 7.591 4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.963 9.198 2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.203 8.143 2.884 1.00 0.00 H new ATOM 725 N ASN A 49 2.306 6.961 1.600 1.00 0.00 N ATOM 726 CA ASN A 49 0.989 7.221 1.029 1.00 0.00 C ATOM 727 C ASN A 49 1.012 8.471 0.156 1.00 0.00 C ATOM 728 O ASN A 49 0.089 9.283 0.192 1.00 0.00 O ATOM 729 CB ASN A 49 -0.049 7.381 2.142 1.00 0.00 C ATOM 730 CG ASN A 49 -1.471 7.341 1.616 1.00 0.00 C ATOM 731 OD1 ASN A 49 -1.973 6.284 1.234 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.126 8.496 1.595 1.00 0.00 N ATOM 0 H ASN A 49 2.776 6.140 1.219 1.00 0.00 H new ATOM 0 HA ASN A 49 0.716 6.370 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.086 6.588 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.118 8.326 2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.086 8.532 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.669 9.347 1.922 1.00 0.00 H new ATOM 739 N ASN A 50 2.075 8.619 -0.629 1.00 0.00 N ATOM 740 CA ASN A 50 2.219 9.770 -1.513 1.00 0.00 C ATOM 741 C ASN A 50 1.885 9.395 -2.954 1.00 0.00 C ATOM 742 O ASN A 50 2.497 8.496 -3.531 1.00 0.00 O ATOM 743 CB ASN A 50 3.643 10.324 -1.435 1.00 0.00 C ATOM 744 CG ASN A 50 3.950 10.941 -0.084 1.00 0.00 C ATOM 745 OD1 ASN A 50 3.095 11.582 0.527 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.176 10.749 0.389 1.00 0.00 N ATOM 0 H ASN A 50 2.849 7.956 -0.671 1.00 0.00 H new ATOM 0 HA ASN A 50 1.519 10.538 -1.185 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.353 9.522 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.781 11.074 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.441 11.140 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.853 10.211 -0.152 1.00 0.00 H new ATOM 753 N LYS A 51 0.910 10.091 -3.529 1.00 0.00 N ATOM 754 CA LYS A 51 0.495 9.834 -4.903 1.00 0.00 C ATOM 755 C LYS A 51 1.704 9.587 -5.800 1.00 0.00 C ATOM 756 O LYS A 51 2.668 10.354 -5.785 1.00 0.00 O ATOM 757 CB LYS A 51 -0.319 11.013 -5.441 1.00 0.00 C ATOM 758 CG LYS A 51 -1.345 10.616 -6.488 1.00 0.00 C ATOM 759 CD LYS A 51 -2.474 11.630 -6.576 1.00 0.00 C ATOM 760 CE LYS A 51 -3.636 11.249 -5.672 1.00 0.00 C ATOM 761 NZ LYS A 51 -4.350 12.448 -5.152 1.00 0.00 N ATOM 0 H LYS A 51 0.392 10.837 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.127 8.939 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.830 11.500 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.362 11.747 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.859 10.526 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.754 9.635 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.102 12.616 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.821 11.701 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.335 10.621 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.266 10.655 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.135 12.146 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.689 13.035 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.725 13.001 -5.949 1.00 0.00 H new ATOM 775 N LEU A 52 1.647 8.513 -6.580 1.00 0.00 N ATOM 776 CA LEU A 52 2.737 8.166 -7.485 1.00 0.00 C ATOM 777 C LEU A 52 2.288 8.260 -8.940 1.00 0.00 C ATOM 778 O LEU A 52 1.146 8.621 -9.225 1.00 0.00 O ATOM 779 CB LEU A 52 3.244 6.754 -7.187 1.00 0.00 C ATOM 780 CG LEU A 52 3.801 6.525 -5.781 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.757 5.047 -5.425 1.00 0.00 C ATOM 782 CD2 LEU A 52 5.223 7.058 -5.677 1.00 0.00 C ATOM 0 H LEU A 52 0.858 7.868 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 52 3.547 8.878 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.425 6.053 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.023 6.509 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 52 3.178 7.068 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.157 4.902 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.726 4.695 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.356 4.483 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.603 6.886 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.858 6.543 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.227 8.127 -5.889 1.00 0.00 H new ATOM 794 N SER A 53 3.193 7.932 -9.856 1.00 0.00 N ATOM 795 CA SER A 53 2.891 7.980 -11.282 1.00 0.00 C ATOM 796 C SER A 53 3.537 6.809 -12.015 1.00 0.00 C ATOM 797 O SER A 53 4.621 6.354 -11.649 1.00 0.00 O ATOM 798 CB SER A 53 3.375 9.302 -11.882 1.00 0.00 C ATOM 799 OG SER A 53 2.714 10.405 -11.287 1.00 0.00 O ATOM 0 H SER A 53 4.142 7.630 -9.636 1.00 0.00 H new ATOM 0 HA SER A 53 1.810 7.908 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.451 9.398 -11.738 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.196 9.304 -12.957 1.00 0.00 H new ATOM 0 HG SER A 53 3.042 11.237 -11.687 1.00 0.00 H new ATOM 805 N LEU A 54 2.862 6.323 -13.051 1.00 0.00 N ATOM 806 CA LEU A 54 3.369 5.204 -13.837 1.00 0.00 C ATOM 807 C LEU A 54 4.847 5.392 -14.164 1.00 0.00 C ATOM 808 O LEU A 54 5.212 6.252 -14.964 1.00 0.00 O ATOM 809 CB LEU A 54 2.564 5.057 -15.130 1.00 0.00 C ATOM 810 CG LEU A 54 1.065 4.807 -14.963 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.376 4.768 -16.318 1.00 0.00 C ATOM 812 CD2 LEU A 54 0.823 3.511 -14.202 1.00 0.00 C ATOM 0 H LEU A 54 1.962 6.686 -13.366 1.00 0.00 H new ATOM 0 HA LEU A 54 3.260 4.297 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.697 5.962 -15.722 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.987 4.234 -15.706 1.00 0.00 H new ATOM 0 HG LEU A 54 0.641 5.629 -14.387 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.690 4.589 -16.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.521 5.721 -16.827 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.803 3.966 -16.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.249 3.348 -14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.262 2.679 -14.752 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.283 3.577 -13.216 1.00 0.00 H new ATOM 824 N GLY A 55 5.694 4.580 -13.538 1.00 0.00 N ATOM 825 CA GLY A 55 7.123 4.672 -13.777 1.00 0.00 C ATOM 826 C GLY A 55 7.912 4.880 -12.499 1.00 0.00 C ATOM 827 O GLY A 55 8.948 4.247 -12.290 1.00 0.00 O ATOM 0 H GLY A 55 5.416 3.861 -12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.466 3.761 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.322 5.497 -14.461 1.00 0.00 H new ATOM 831 N THR A 56 7.423 5.770 -11.641 1.00 0.00 N ATOM 832 CA THR A 56 8.091 6.061 -10.379 1.00 0.00 C ATOM 833 C THR A 56 7.720 5.038 -9.312 1.00 0.00 C ATOM 834 O THR A 56 8.573 4.593 -8.542 1.00 0.00 O ATOM 835 CB THR A 56 7.735 7.470 -9.868 1.00 0.00 C ATOM 836 OG1 THR A 56 6.329 7.558 -9.611 1.00 0.00 O ATOM 837 CG2 THR A 56 8.137 8.531 -10.881 1.00 0.00 C ATOM 0 H THR A 56 6.567 6.302 -11.797 1.00 0.00 H new ATOM 0 HA THR A 56 9.163 6.011 -10.570 1.00 0.00 H new ATOM 0 HB THR A 56 8.285 7.646 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.833 7.249 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.876 9.517 -10.498 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.212 8.482 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.612 8.355 -11.820 1.00 0.00 H new ATOM 845 N TYR A 57 6.446 4.667 -9.272 1.00 0.00 N ATOM 846 CA TYR A 57 5.962 3.696 -8.297 1.00 0.00 C ATOM 847 C TYR A 57 6.869 2.469 -8.255 1.00 0.00 C ATOM 848 O TYR A 57 7.824 2.363 -9.023 1.00 0.00 O ATOM 849 CB TYR A 57 4.531 3.275 -8.633 1.00 0.00 C ATOM 850 CG TYR A 57 4.435 2.351 -9.826 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.615 0.980 -9.684 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.166 2.848 -11.095 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.529 0.132 -10.771 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.076 2.008 -12.187 1.00 0.00 C ATOM 855 CZ TYR A 57 4.259 0.651 -12.021 1.00 0.00 C ATOM 856 OH TYR A 57 4.172 -0.190 -13.107 1.00 0.00 O ATOM 0 H TYR A 57 5.729 5.024 -9.903 1.00 0.00 H new ATOM 0 HA TYR A 57 5.973 4.168 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.094 2.781 -7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.935 4.167 -8.826 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.826 0.571 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.025 3.910 -11.230 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.672 -0.931 -10.643 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.863 2.411 -13.166 1.00 0.00 H new ATOM 0 HH TYR A 57 3.975 0.334 -13.912 1.00 0.00 H new ATOM 866 N ALA A 58 6.560 1.545 -7.351 1.00 0.00 N ATOM 867 CA ALA A 58 7.344 0.324 -7.210 1.00 0.00 C ATOM 868 C ALA A 58 6.647 -0.672 -6.288 1.00 0.00 C ATOM 869 O ALA A 58 6.621 -0.491 -5.071 1.00 0.00 O ATOM 870 CB ALA A 58 8.735 0.648 -6.685 1.00 0.00 C ATOM 0 H ALA A 58 5.773 1.619 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 58 7.437 -0.135 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.310 -0.273 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.240 1.317 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.653 1.132 -5.712 1.00 0.00 H new ATOM 876 N SER A 59 6.084 -1.722 -6.877 1.00 0.00 N ATOM 877 CA SER A 59 5.383 -2.744 -6.109 1.00 0.00 C ATOM 878 C SER A 59 6.319 -3.894 -5.753 1.00 0.00 C ATOM 879 O SER A 59 7.433 -3.986 -6.271 1.00 0.00 O ATOM 880 CB SER A 59 4.184 -3.272 -6.898 1.00 0.00 C ATOM 881 OG SER A 59 4.593 -4.205 -7.884 1.00 0.00 O ATOM 0 H SER A 59 6.100 -1.887 -7.883 1.00 0.00 H new ATOM 0 HA SER A 59 5.028 -2.289 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.476 -3.745 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.663 -2.441 -7.373 1.00 0.00 H new ATOM 0 HG SER A 59 3.805 -4.646 -8.264 1.00 0.00 H new ATOM 887 N LEU A 60 5.860 -4.770 -4.866 1.00 0.00 N ATOM 888 CA LEU A 60 6.656 -5.916 -4.439 1.00 0.00 C ATOM 889 C LEU A 60 5.859 -7.210 -4.567 1.00 0.00 C ATOM 890 O LEU A 60 6.164 -8.059 -5.405 1.00 0.00 O ATOM 891 CB LEU A 60 7.120 -5.730 -2.994 1.00 0.00 C ATOM 892 CG LEU A 60 7.973 -6.858 -2.412 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.069 -7.257 -3.388 1.00 0.00 C ATOM 894 CD2 LEU A 60 8.572 -6.440 -1.077 1.00 0.00 C ATOM 0 H LEU A 60 4.941 -4.709 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 60 7.529 -5.983 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.689 -4.803 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.239 -5.605 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 60 7.331 -7.723 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.666 -8.061 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.619 -7.599 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.709 -6.397 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.176 -7.255 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.199 -5.560 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.771 -6.205 -0.376 1.00 0.00 H new ATOM 906 N HIS A 61 4.835 -7.353 -3.731 1.00 0.00 N ATOM 907 CA HIS A 61 3.992 -8.543 -3.753 1.00 0.00 C ATOM 908 C HIS A 61 2.555 -8.184 -4.119 1.00 0.00 C ATOM 909 O HIS A 61 1.829 -8.995 -4.692 1.00 0.00 O ATOM 910 CB HIS A 61 4.024 -9.241 -2.393 1.00 0.00 C ATOM 911 CG HIS A 61 5.362 -9.820 -2.048 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.495 -9.927 -2.780 1.00 0.00 N flip ATOM 913 CD2 HIS A 61 5.647 -10.379 -0.820 1.00 0.00 C flip ATOM 914 CE1 HIS A 61 7.435 -10.541 -1.989 1.00 0.00 C flip ATOM 915 NE2 HIS A 61 6.898 -10.802 -0.811 1.00 0.00 N flip ATOM 0 H HIS A 61 4.569 -6.660 -3.031 1.00 0.00 H new ATOM 0 HA HIS A 61 4.383 -9.221 -4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.736 -8.528 -1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.280 -10.037 -2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.955 -10.458 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.448 -10.773 -2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.369 -11.254 -0.027 1.00 0.00 H new ATOM 924 N GLY A 62 2.151 -6.962 -3.785 1.00 0.00 N ATOM 925 CA GLY A 62 0.803 -6.518 -4.086 1.00 0.00 C ATOM 926 C GLY A 62 0.608 -5.038 -3.824 1.00 0.00 C ATOM 927 O GLY A 62 -0.169 -4.376 -4.511 1.00 0.00 O ATOM 0 H GLY A 62 2.734 -6.272 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.578 -6.731 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.094 -7.087 -3.485 1.00 0.00 H new ATOM 931 N ARG A 63 1.315 -4.517 -2.826 1.00 0.00 N ATOM 932 CA ARG A 63 1.213 -3.106 -2.473 1.00 0.00 C ATOM 933 C ARG A 63 2.216 -2.274 -3.267 1.00 0.00 C ATOM 934 O ARG A 63 3.194 -2.801 -3.797 1.00 0.00 O ATOM 935 CB ARG A 63 1.451 -2.915 -0.974 1.00 0.00 C ATOM 936 CG ARG A 63 0.626 -3.849 -0.103 1.00 0.00 C ATOM 937 CD ARG A 63 1.432 -5.064 0.329 1.00 0.00 C ATOM 938 NE ARG A 63 0.791 -5.785 1.426 1.00 0.00 N ATOM 939 CZ ARG A 63 1.003 -7.071 1.684 1.00 0.00 C ATOM 940 NH1 ARG A 63 1.835 -7.773 0.928 1.00 0.00 N ATOM 941 NH2 ARG A 63 0.382 -7.656 2.700 1.00 0.00 N ATOM 0 H ARG A 63 1.964 -5.051 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 63 0.207 -2.767 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.508 -3.071 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.220 -1.884 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.275 -3.312 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.258 -4.174 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.559 -5.735 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.428 -4.747 0.637 1.00 0.00 H new ATOM 0 HE ARG A 63 0.145 -5.273 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.314 -7.326 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.996 -8.760 1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.259 -7.118 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.545 -8.643 2.897 1.00 0.00 H new ATOM 955 N ILE A 64 1.964 -0.971 -3.346 1.00 0.00 N ATOM 956 CA ILE A 64 2.844 -0.067 -4.075 1.00 0.00 C ATOM 957 C ILE A 64 3.794 0.659 -3.127 1.00 0.00 C ATOM 958 O ILE A 64 3.465 0.898 -1.965 1.00 0.00 O ATOM 959 CB ILE A 64 2.042 0.975 -4.877 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.871 0.304 -5.597 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.945 1.687 -5.873 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.299 -0.639 -6.699 1.00 0.00 C ATOM 0 H ILE A 64 1.158 -0.519 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 64 3.422 -0.679 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 64 1.643 1.716 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.276 -0.247 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.225 1.074 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.363 2.420 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.749 2.193 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.371 0.959 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.417 -1.078 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.869 -0.089 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.920 -1.431 -6.280 1.00 0.00 H new ATOM 974 N TYR A 65 4.971 1.009 -3.632 1.00 0.00 N ATOM 975 CA TYR A 65 5.969 1.707 -2.831 1.00 0.00 C ATOM 976 C TYR A 65 6.742 2.713 -3.679 1.00 0.00 C ATOM 977 O TYR A 65 6.992 2.484 -4.862 1.00 0.00 O ATOM 978 CB TYR A 65 6.938 0.706 -2.198 1.00 0.00 C ATOM 979 CG TYR A 65 6.362 -0.022 -1.005 1.00 0.00 C ATOM 980 CD1 TYR A 65 5.641 -1.199 -1.167 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.539 0.466 0.283 1.00 0.00 C ATOM 982 CE1 TYR A 65 5.112 -1.868 -0.079 1.00 0.00 C ATOM 983 CE2 TYR A 65 6.015 -0.197 1.377 1.00 0.00 C ATOM 984 CZ TYR A 65 5.302 -1.363 1.190 1.00 0.00 C ATOM 985 OH TYR A 65 4.778 -2.026 2.276 1.00 0.00 O ATOM 0 H TYR A 65 5.258 0.821 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 65 5.449 2.248 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.235 -0.025 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.842 1.232 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.491 -1.598 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.096 1.379 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.553 -2.781 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.163 0.196 2.372 1.00 0.00 H new ATOM 0 HH TYR A 65 5.003 -1.539 3.096 1.00 0.00 H new ATOM 995 N CYS A 66 7.119 3.829 -3.064 1.00 0.00 N ATOM 996 CA CYS A 66 7.863 4.872 -3.759 1.00 0.00 C ATOM 997 C CYS A 66 9.335 4.492 -3.893 1.00 0.00 C ATOM 998 O CYS A 66 9.960 4.034 -2.936 1.00 0.00 O ATOM 999 CB CYS A 66 7.734 6.203 -3.015 1.00 0.00 C ATOM 1000 SG CYS A 66 8.413 6.178 -1.325 1.00 0.00 S ATOM 0 H CYS A 66 6.921 4.034 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 66 7.441 4.980 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.243 6.978 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.681 6.480 -2.968 1.00 0.00 H new ATOM 1005 N LYS A 67 9.884 4.686 -5.088 1.00 0.00 N ATOM 1006 CA LYS A 67 11.282 4.366 -5.349 1.00 0.00 C ATOM 1007 C LYS A 67 12.129 4.564 -4.095 1.00 0.00 C ATOM 1008 O LYS A 67 12.858 3.671 -3.662 1.00 0.00 O ATOM 1009 CB LYS A 67 11.823 5.238 -6.485 1.00 0.00 C ATOM 1010 CG LYS A 67 11.874 4.526 -7.825 1.00 0.00 C ATOM 1011 CD LYS A 67 11.549 5.470 -8.971 1.00 0.00 C ATOM 1012 CE LYS A 67 11.215 4.708 -10.244 1.00 0.00 C ATOM 1013 NZ LYS A 67 11.370 5.558 -11.456 1.00 0.00 N ATOM 0 H LYS A 67 9.381 5.064 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 67 11.340 3.318 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.199 6.127 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.825 5.578 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.866 4.100 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.167 3.696 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.707 6.104 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.398 6.129 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.864 3.836 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.191 4.339 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.595 5.359 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.343 6.561 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.280 5.348 -11.913 1.00 0.00 H new ATOM 1027 N PRO A 68 12.031 5.760 -3.496 1.00 0.00 N ATOM 1028 CA PRO A 68 12.779 6.102 -2.283 1.00 0.00 C ATOM 1029 C PRO A 68 12.677 5.018 -1.215 1.00 0.00 C ATOM 1030 O PRO A 68 13.678 4.412 -0.833 1.00 0.00 O ATOM 1031 CB PRO A 68 12.107 7.391 -1.803 1.00 0.00 C ATOM 1032 CG PRO A 68 11.530 7.998 -3.035 1.00 0.00 C ATOM 1033 CD PRO A 68 11.181 6.871 -3.957 1.00 0.00 C ATOM 0 HA PRO A 68 13.846 6.209 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.333 7.183 -1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.826 8.061 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.646 8.589 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.246 8.672 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.123 6.617 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.387 7.127 -4.996 1.00 0.00 H new ATOM 1041 N HIS A 69 11.460 4.779 -0.735 1.00 0.00 N ATOM 1042 CA HIS A 69 11.227 3.767 0.289 1.00 0.00 C ATOM 1043 C HIS A 69 11.599 2.379 -0.224 1.00 0.00 C ATOM 1044 O HIS A 69 12.237 1.596 0.479 1.00 0.00 O ATOM 1045 CB HIS A 69 9.764 3.786 0.731 1.00 0.00 C ATOM 1046 CG HIS A 69 9.477 4.780 1.813 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.224 5.309 2.037 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.291 5.342 2.738 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.279 6.154 3.051 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.523 6.191 3.495 1.00 0.00 N ATOM 0 H HIS A 69 10.621 5.272 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 69 11.860 3.999 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.136 4.009 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.486 2.792 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.348 5.157 2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.449 6.718 3.449 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.858 6.758 4.274 1.00 0.00 H new ATOM 1058 N PHE A 70 11.194 2.081 -1.454 1.00 0.00 N ATOM 1059 CA PHE A 70 11.482 0.786 -2.061 1.00 0.00 C ATOM 1060 C PHE A 70 12.964 0.443 -1.932 1.00 0.00 C ATOM 1061 O PHE A 70 13.325 -0.601 -1.391 1.00 0.00 O ATOM 1062 CB PHE A 70 11.074 0.788 -3.536 1.00 0.00 C ATOM 1063 CG PHE A 70 11.642 -0.363 -4.316 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.955 -0.336 -4.758 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.862 -1.470 -4.609 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.481 -1.394 -5.476 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.383 -2.530 -5.327 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.693 -2.492 -5.762 1.00 0.00 C ATOM 0 H PHE A 70 10.666 2.718 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 70 10.904 0.028 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.986 0.761 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.399 1.722 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.574 0.521 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.836 -1.505 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.507 -1.362 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.765 -3.388 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 70 13.101 -3.319 -6.325 1.00 0.00 H new ATOM 1078 N ASN A 71 13.816 1.331 -2.434 1.00 0.00 N ATOM 1079 CA ASN A 71 15.258 1.122 -2.377 1.00 0.00 C ATOM 1080 C ASN A 71 15.770 1.248 -0.945 1.00 0.00 C ATOM 1081 O ASN A 71 16.970 1.144 -0.693 1.00 0.00 O ATOM 1082 CB ASN A 71 15.976 2.130 -3.277 1.00 0.00 C ATOM 1083 CG ASN A 71 17.404 2.386 -2.835 1.00 0.00 C ATOM 1084 OD1 ASN A 71 18.259 1.503 -2.916 1.00 0.00 O ATOM 1085 ND2 ASN A 71 17.669 3.598 -2.362 1.00 0.00 N ATOM 0 H ASN A 71 13.533 2.201 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 71 15.468 0.113 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.977 1.761 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.425 3.070 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.612 3.828 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.930 4.299 -2.313 1.00 0.00 H new ATOM 1092 N GLN A 72 14.850 1.472 -0.012 1.00 0.00 N ATOM 1093 CA GLN A 72 15.208 1.612 1.395 1.00 0.00 C ATOM 1094 C GLN A 72 14.793 0.377 2.188 1.00 0.00 C ATOM 1095 O GLN A 72 15.470 -0.021 3.136 1.00 0.00 O ATOM 1096 CB GLN A 72 14.551 2.859 1.989 1.00 0.00 C ATOM 1097 CG GLN A 72 14.681 2.954 3.500 1.00 0.00 C ATOM 1098 CD GLN A 72 14.386 4.345 4.025 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.040 5.316 3.643 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.398 4.449 4.906 1.00 0.00 N ATOM 0 H GLN A 72 13.852 1.560 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 72 16.291 1.715 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.998 3.745 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.494 2.864 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.999 2.242 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.691 2.666 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.882 3.618 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.155 5.360 5.294 1.00 0.00 H new ATOM 1109 N LEU A 73 13.676 -0.225 1.794 1.00 0.00 N ATOM 1110 CA LEU A 73 13.170 -1.415 2.468 1.00 0.00 C ATOM 1111 C LEU A 73 13.492 -2.673 1.668 1.00 0.00 C ATOM 1112 O LEU A 73 13.615 -3.763 2.228 1.00 0.00 O ATOM 1113 CB LEU A 73 11.658 -1.303 2.677 1.00 0.00 C ATOM 1114 CG LEU A 73 11.147 0.051 3.169 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.688 0.243 2.785 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.325 0.173 4.676 1.00 0.00 C ATOM 0 H LEU A 73 13.104 0.092 1.011 1.00 0.00 H new ATOM 0 HA LEU A 73 13.661 -1.489 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.163 -1.535 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.353 -2.066 3.393 1.00 0.00 H new ATOM 0 HG LEU A 73 11.733 0.835 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.342 1.212 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.589 0.201 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.086 -0.546 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.956 1.143 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.765 -0.619 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.382 0.082 4.926 1.00 0.00 H new ATOM 1128 N PHE A 74 13.631 -2.514 0.356 1.00 0.00 N ATOM 1129 CA PHE A 74 13.941 -3.637 -0.521 1.00 0.00 C ATOM 1130 C PHE A 74 15.438 -3.935 -0.515 1.00 0.00 C ATOM 1131 O PHE A 74 15.859 -5.052 -0.217 1.00 0.00 O ATOM 1132 CB PHE A 74 13.475 -3.340 -1.948 1.00 0.00 C ATOM 1133 CG PHE A 74 11.982 -3.245 -2.083 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.253 -2.387 -1.275 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.307 -4.013 -3.018 1.00 0.00 C ATOM 1136 CE1 PHE A 74 9.879 -2.296 -1.397 1.00 0.00 C ATOM 1137 CE2 PHE A 74 9.933 -3.926 -3.144 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.219 -3.068 -2.332 1.00 0.00 C ATOM 0 H PHE A 74 13.534 -1.619 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 74 13.412 -4.514 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.922 -2.403 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.843 -4.122 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.765 -1.782 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.860 -4.687 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.323 -1.622 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.419 -4.529 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.145 -3.001 -2.428 1.00 0.00 H new ATOM 1148 N LYS A 75 16.237 -2.927 -0.847 1.00 0.00 N ATOM 1149 CA LYS A 75 17.687 -3.078 -0.880 1.00 0.00 C ATOM 1150 C LYS A 75 18.218 -3.520 0.480 1.00 0.00 C ATOM 1151 O LYS A 75 19.047 -4.426 0.568 1.00 0.00 O ATOM 1152 CB LYS A 75 18.348 -1.762 -1.295 1.00 0.00 C ATOM 1153 CG LYS A 75 19.616 -1.948 -2.109 1.00 0.00 C ATOM 1154 CD LYS A 75 19.322 -1.979 -3.600 1.00 0.00 C ATOM 1155 CE LYS A 75 20.575 -1.714 -4.421 1.00 0.00 C ATOM 1156 NZ LYS A 75 21.056 -0.314 -4.262 1.00 0.00 N ATOM 0 H LYS A 75 15.905 -1.996 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 75 17.931 -3.847 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.636 -1.175 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.582 -1.185 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.311 -1.137 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.106 -2.876 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 75 18.907 -2.950 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.565 -1.232 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.361 -2.405 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.368 -1.910 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.649 -0.056 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 20.241 0.329 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.615 -0.236 -3.389 1.00 0.00 H new ATOM 1170 N SER A 76 17.735 -2.876 1.537 1.00 0.00 N ATOM 1171 CA SER A 76 18.164 -3.201 2.892 1.00 0.00 C ATOM 1172 C SER A 76 18.139 -4.709 3.123 1.00 0.00 C ATOM 1173 O SER A 76 17.085 -5.293 3.375 1.00 0.00 O ATOM 1174 CB SER A 76 17.266 -2.502 3.916 1.00 0.00 C ATOM 1175 OG SER A 76 17.493 -3.006 5.221 1.00 0.00 O ATOM 0 H SER A 76 17.046 -2.126 1.481 1.00 0.00 H new ATOM 0 HA SER A 76 19.188 -2.849 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.456 -1.429 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.220 -2.644 3.644 1.00 0.00 H new ATOM 0 HG SER A 76 16.909 -2.543 5.857 1.00 0.00 H new ATOM 1181 N LYS A 77 19.308 -5.334 3.033 1.00 0.00 N ATOM 1182 CA LYS A 77 19.423 -6.774 3.233 1.00 0.00 C ATOM 1183 C LYS A 77 18.456 -7.253 4.312 1.00 0.00 C ATOM 1184 O LYS A 77 18.544 -6.838 5.466 1.00 0.00 O ATOM 1185 CB LYS A 77 20.857 -7.143 3.618 1.00 0.00 C ATOM 1186 CG LYS A 77 21.735 -7.493 2.428 1.00 0.00 C ATOM 1187 CD LYS A 77 22.070 -6.263 1.602 1.00 0.00 C ATOM 1188 CE LYS A 77 23.210 -5.469 2.220 1.00 0.00 C ATOM 1189 NZ LYS A 77 23.673 -4.373 1.324 1.00 0.00 N ATOM 0 H LYS A 77 20.190 -4.866 2.823 1.00 0.00 H new ATOM 0 HA LYS A 77 19.167 -7.267 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.306 -6.309 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.834 -7.990 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 77 22.656 -7.959 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.226 -8.225 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.343 -6.566 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.188 -5.629 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.885 -5.047 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.043 -6.138 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.451 -3.856 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 24.007 -4.777 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.885 -3.720 1.138 1.00 0.00 H new ATOM 1203 N GLY A 78 17.535 -8.131 3.927 1.00 0.00 N ATOM 1204 CA GLY A 78 16.567 -8.653 4.874 1.00 0.00 C ATOM 1205 C GLY A 78 15.694 -9.737 4.273 1.00 0.00 C ATOM 1206 O GLY A 78 14.469 -9.632 4.280 1.00 0.00 O ATOM 0 H GLY A 78 17.442 -8.490 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.092 -9.053 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.936 -7.839 5.230 1.00 0.00 H new ATOM 1210 N ASN A 79 16.328 -10.782 3.750 1.00 0.00 N ATOM 1211 CA ASN A 79 15.601 -11.890 3.140 1.00 0.00 C ATOM 1212 C ASN A 79 15.745 -13.160 3.973 1.00 0.00 C ATOM 1213 O ASN A 79 16.853 -13.556 4.333 1.00 0.00 O ATOM 1214 CB ASN A 79 16.109 -12.139 1.718 1.00 0.00 C ATOM 1215 CG ASN A 79 15.199 -13.064 0.933 1.00 0.00 C ATOM 1216 OD1 ASN A 79 14.972 -14.209 1.325 1.00 0.00 O ATOM 1217 ND2 ASN A 79 14.674 -12.571 -0.182 1.00 0.00 N ATOM 0 H ASN A 79 17.343 -10.885 3.736 1.00 0.00 H new ATOM 0 HA ASN A 79 14.545 -11.621 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.195 -11.187 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.109 -12.570 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.055 -13.147 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.890 -11.616 -0.469 1.00 0.00 H new ATOM 1224 N TYR A 80 14.617 -13.793 4.276 1.00 0.00 N ATOM 1225 CA TYR A 80 14.616 -15.017 5.068 1.00 0.00 C ATOM 1226 C TYR A 80 13.649 -16.043 4.485 1.00 0.00 C ATOM 1227 O TYR A 80 12.957 -15.772 3.503 1.00 0.00 O ATOM 1228 CB TYR A 80 14.239 -14.710 6.518 1.00 0.00 C ATOM 1229 CG TYR A 80 15.417 -14.317 7.380 1.00 0.00 C ATOM 1230 CD1 TYR A 80 16.446 -15.215 7.637 1.00 0.00 C ATOM 1231 CD2 TYR A 80 15.501 -13.047 7.939 1.00 0.00 C ATOM 1232 CE1 TYR A 80 17.524 -14.860 8.424 1.00 0.00 C ATOM 1233 CE2 TYR A 80 16.576 -12.683 8.726 1.00 0.00 C ATOM 1234 CZ TYR A 80 17.585 -13.593 8.966 1.00 0.00 C ATOM 1235 OH TYR A 80 18.657 -13.235 9.751 1.00 0.00 O ATOM 0 H TYR A 80 13.691 -13.478 3.985 1.00 0.00 H new ATOM 0 HA TYR A 80 15.621 -15.437 5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.505 -13.904 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.758 -15.586 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.402 -16.208 7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 80 14.712 -12.333 7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 80 18.315 -15.570 8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 80 16.627 -11.692 9.151 1.00 0.00 H new ATOM 0 HH TYR A 80 18.547 -12.309 10.053 1.00 0.00 H new ATOM 1245 N ASP A 81 13.607 -17.221 5.098 1.00 0.00 N ATOM 1246 CA ASP A 81 12.724 -18.288 4.642 1.00 0.00 C ATOM 1247 C ASP A 81 11.359 -17.733 4.246 1.00 0.00 C ATOM 1248 O ASP A 81 10.740 -16.986 5.002 1.00 0.00 O ATOM 1249 CB ASP A 81 12.560 -19.345 5.735 1.00 0.00 C ATOM 1250 CG ASP A 81 13.891 -19.876 6.231 1.00 0.00 C ATOM 1251 OD1 ASP A 81 14.498 -20.708 5.526 1.00 0.00 O ATOM 1252 OD2 ASP A 81 14.325 -19.458 7.325 1.00 0.00 O ATOM 0 H ASP A 81 14.174 -17.461 5.911 1.00 0.00 H new ATOM 0 HA ASP A 81 13.177 -18.750 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.009 -18.916 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.963 -20.172 5.350 1.00 0.00 H new ATOM 1257 N GLU A 82 10.899 -18.102 3.055 1.00 0.00 N ATOM 1258 CA GLU A 82 9.608 -17.639 2.558 1.00 0.00 C ATOM 1259 C GLU A 82 8.671 -18.814 2.300 1.00 0.00 C ATOM 1260 O GLU A 82 7.973 -18.856 1.287 1.00 0.00 O ATOM 1261 CB GLU A 82 9.793 -16.828 1.274 1.00 0.00 C ATOM 1262 CG GLU A 82 10.487 -17.597 0.162 1.00 0.00 C ATOM 1263 CD GLU A 82 10.575 -16.806 -1.128 1.00 0.00 C ATOM 1264 OE1 GLU A 82 11.430 -15.899 -1.209 1.00 0.00 O ATOM 1265 OE2 GLU A 82 9.791 -17.092 -2.056 1.00 0.00 O ATOM 0 H GLU A 82 11.400 -18.720 2.417 1.00 0.00 H new ATOM 0 HA GLU A 82 9.161 -17.002 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.817 -16.496 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.371 -15.932 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.492 -17.869 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.949 -18.527 -0.022 1.00 0.00 H new ATOM 1272 N GLY A 83 8.660 -19.770 3.224 1.00 0.00 N ATOM 1273 CA GLY A 83 7.806 -20.934 3.079 1.00 0.00 C ATOM 1274 C GLY A 83 6.517 -20.809 3.867 1.00 0.00 C ATOM 1275 O GLY A 83 6.178 -21.688 4.660 1.00 0.00 O ATOM 0 H GLY A 83 9.228 -19.759 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.571 -21.079 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.346 -21.821 3.410 1.00 0.00 H new ATOM 1279 N PHE A 84 5.797 -19.714 3.651 1.00 0.00 N ATOM 1280 CA PHE A 84 4.539 -19.476 4.349 1.00 0.00 C ATOM 1281 C PHE A 84 3.434 -20.374 3.801 1.00 0.00 C ATOM 1282 O PHE A 84 2.663 -20.960 4.560 1.00 0.00 O ATOM 1283 CB PHE A 84 4.129 -18.007 4.219 1.00 0.00 C ATOM 1284 CG PHE A 84 5.265 -17.047 4.427 1.00 0.00 C ATOM 1285 CD1 PHE A 84 6.082 -16.680 3.370 1.00 0.00 C ATOM 1286 CD2 PHE A 84 5.517 -16.512 5.680 1.00 0.00 C ATOM 1287 CE1 PHE A 84 7.128 -15.796 3.558 1.00 0.00 C ATOM 1288 CE2 PHE A 84 6.561 -15.627 5.874 1.00 0.00 C ATOM 1289 CZ PHE A 84 7.368 -15.270 4.812 1.00 0.00 C ATOM 0 H PHE A 84 6.063 -18.977 2.998 1.00 0.00 H new ATOM 0 HA PHE A 84 4.687 -19.713 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.702 -17.843 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.344 -17.792 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.899 -17.089 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.891 -16.790 6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.757 -15.517 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.745 -15.215 6.855 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.186 -14.580 4.962 1.00 0.00 H new ATOM 1299 N GLY A 85 3.365 -20.477 2.477 1.00 0.00 N ATOM 1300 CA GLY A 85 2.351 -21.304 1.850 1.00 0.00 C ATOM 1301 C GLY A 85 2.812 -21.881 0.526 1.00 0.00 C ATOM 1302 O GLY A 85 3.458 -22.928 0.488 1.00 0.00 O ATOM 0 H GLY A 85 3.993 -20.003 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.082 -22.118 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.450 -20.711 1.691 1.00 0.00 H new ATOM 1306 N SER A 86 2.478 -21.197 -0.564 1.00 0.00 N ATOM 1307 CA SER A 86 2.857 -21.650 -1.897 1.00 0.00 C ATOM 1308 C SER A 86 2.581 -23.141 -2.063 1.00 0.00 C ATOM 1309 O SER A 86 3.405 -23.882 -2.597 1.00 0.00 O ATOM 1310 CB SER A 86 4.337 -21.363 -2.155 1.00 0.00 C ATOM 1311 OG SER A 86 4.611 -19.976 -2.061 1.00 0.00 O ATOM 0 H SER A 86 1.946 -20.327 -0.550 1.00 0.00 H new ATOM 0 HA SER A 86 2.256 -21.103 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.947 -21.907 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.614 -21.725 -3.145 1.00 0.00 H new ATOM 0 HG SER A 86 5.564 -19.819 -2.228 1.00 0.00 H new ATOM 1317 N GLY A 87 1.412 -23.576 -1.600 1.00 0.00 N ATOM 1318 CA GLY A 87 1.046 -24.976 -1.705 1.00 0.00 C ATOM 1319 C GLY A 87 0.987 -25.453 -3.142 1.00 0.00 C ATOM 1320 O GLY A 87 0.618 -24.709 -4.051 1.00 0.00 O ATOM 0 H GLY A 87 0.712 -22.983 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.768 -25.579 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.075 -25.131 -1.234 1.00 0.00 H new ATOM 1324 N PRO A 88 1.359 -26.723 -3.364 1.00 0.00 N ATOM 1325 CA PRO A 88 1.356 -27.326 -4.700 1.00 0.00 C ATOM 1326 C PRO A 88 -0.055 -27.543 -5.236 1.00 0.00 C ATOM 1327 O PRO A 88 -0.239 -28.081 -6.327 1.00 0.00 O ATOM 1328 CB PRO A 88 2.058 -28.669 -4.484 1.00 0.00 C ATOM 1329 CG PRO A 88 1.832 -28.988 -3.046 1.00 0.00 C ATOM 1330 CD PRO A 88 1.810 -27.667 -2.328 1.00 0.00 C ATOM 0 HA PRO A 88 1.844 -26.687 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.642 -29.442 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.122 -28.601 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.892 -29.523 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.624 -29.629 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.130 -27.684 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.795 -27.402 -1.944 1.00 0.00 H new ATOM 1338 N SER A 89 -1.048 -27.119 -4.461 1.00 0.00 N ATOM 1339 CA SER A 89 -2.444 -27.270 -4.857 1.00 0.00 C ATOM 1340 C SER A 89 -2.600 -27.118 -6.367 1.00 0.00 C ATOM 1341 O SER A 89 -2.642 -26.004 -6.889 1.00 0.00 O ATOM 1342 CB SER A 89 -3.314 -26.238 -4.136 1.00 0.00 C ATOM 1343 OG SER A 89 -4.686 -26.432 -4.434 1.00 0.00 O ATOM 0 H SER A 89 -0.912 -26.669 -3.556 1.00 0.00 H new ATOM 0 HA SER A 89 -2.770 -28.271 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.158 -26.314 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.013 -25.233 -4.432 1.00 0.00 H new ATOM 0 HG SER A 89 -5.222 -25.762 -3.961 1.00 0.00 H new ATOM 1349 N SER A 90 -2.685 -28.247 -7.063 1.00 0.00 N ATOM 1350 CA SER A 90 -2.832 -28.242 -8.513 1.00 0.00 C ATOM 1351 C SER A 90 -3.776 -29.351 -8.968 1.00 0.00 C ATOM 1352 O SER A 90 -4.242 -30.154 -8.161 1.00 0.00 O ATOM 1353 CB SER A 90 -1.468 -28.409 -9.186 1.00 0.00 C ATOM 1354 OG SER A 90 -0.637 -27.289 -8.939 1.00 0.00 O ATOM 0 H SER A 90 -2.655 -29.177 -6.646 1.00 0.00 H new ATOM 0 HA SER A 90 -3.259 -27.283 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.985 -29.313 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.602 -28.536 -10.260 1.00 0.00 H new ATOM 0 HG SER A 90 -0.325 -27.311 -8.010 1.00 0.00 H new ATOM 1360 N GLY A 91 -4.053 -29.389 -10.268 1.00 0.00 N ATOM 1361 CA GLY A 91 -4.939 -30.402 -10.808 1.00 0.00 C ATOM 1362 C GLY A 91 -4.569 -30.802 -12.223 1.00 0.00 C ATOM 1363 O GLY A 91 -3.424 -31.188 -12.456 1.00 0.00 O ATOM 0 H GLY A 91 -3.679 -28.736 -10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.913 -31.283 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.963 -30.029 -10.795 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.462 2.329 -5.123 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 7.011 5.720 0.417 1.00 0.00 ZN