USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=25 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 77 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.187) USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Set 2.1: A 34 ASN : amide:sc= -3.14! C(o=-5.7!,f=-7.2!) USER MOD Set 2.2: A 59 SER OG : rot 23:sc= -2.59! 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 18:sc= 0.315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 149:sc= -0.565 (180deg=-1.87!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.291 K(o=-0.29,f=-4.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 22 GLN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -157:sc= -0.0785 (180deg=-0.46) USER MOD Single : A 35 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.1!) USER MOD Single : A 36 GLN : amide:sc= -1.01 K(o=-1,f=-0.35) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -43:sc= 0.465 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= -0.915 K(o=-0.92,f=-9.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 28:sc= 0.136 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.82! X(o=-3.8!,f=-3.5) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= -0.339 (180deg=-1.46) USER MOD Single : A 71 ASN : amide:sc= -2.32 K(o=-2.3,f=-3!) USER MOD Single : A 72 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.75) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc=-0.00479 (180deg=-0.0111) USER MOD Single : A 76 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.882 -31.568 10.796 1.00 0.00 N ATOM 2 CA GLY A 1 -33.518 -30.169 10.918 1.00 0.00 C ATOM 3 C GLY A 1 -32.118 -29.887 10.409 1.00 0.00 C ATOM 4 O GLY A 1 -31.163 -29.853 11.186 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.847 -31.708 11.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.842 -31.851 9.796 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.218 -32.149 11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.232 -29.561 10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.589 -29.868 11.963 1.00 0.00 H new ATOM 8 N SER A 2 -31.994 -29.687 9.101 1.00 0.00 N ATOM 9 CA SER A 2 -30.699 -29.412 8.489 1.00 0.00 C ATOM 10 C SER A 2 -30.700 -28.049 7.804 1.00 0.00 C ATOM 11 O SER A 2 -31.756 -27.513 7.466 1.00 0.00 O ATOM 12 CB SER A 2 -30.348 -30.505 7.477 1.00 0.00 C ATOM 13 OG SER A 2 -31.108 -30.362 6.289 1.00 0.00 O ATOM 0 H SER A 2 -32.774 -29.710 8.445 1.00 0.00 H new ATOM 0 HA SER A 2 -29.946 -29.401 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.285 -30.458 7.240 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.534 -31.485 7.916 1.00 0.00 H new ATOM 0 HG SER A 2 -30.864 -31.071 5.658 1.00 0.00 H new ATOM 19 N SER A 3 -29.510 -27.495 7.602 1.00 0.00 N ATOM 20 CA SER A 3 -29.372 -26.193 6.960 1.00 0.00 C ATOM 21 C SER A 3 -27.904 -25.873 6.690 1.00 0.00 C ATOM 22 O SER A 3 -27.010 -26.414 7.338 1.00 0.00 O ATOM 23 CB SER A 3 -29.990 -25.101 7.835 1.00 0.00 C ATOM 24 OG SER A 3 -29.266 -24.945 9.044 1.00 0.00 O ATOM 0 H SER A 3 -28.627 -27.927 7.873 1.00 0.00 H new ATOM 0 HA SER A 3 -29.900 -26.228 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.001 -24.157 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.027 -25.353 8.058 1.00 0.00 H new ATOM 0 HG SER A 3 -29.680 -24.240 9.585 1.00 0.00 H new ATOM 30 N GLY A 4 -27.666 -24.988 5.726 1.00 0.00 N ATOM 31 CA GLY A 4 -26.306 -24.611 5.386 1.00 0.00 C ATOM 32 C GLY A 4 -26.252 -23.574 4.281 1.00 0.00 C ATOM 33 O GLY A 4 -26.497 -23.885 3.116 1.00 0.00 O ATOM 0 H GLY A 4 -28.390 -24.526 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.808 -24.219 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.753 -25.498 5.076 1.00 0.00 H new ATOM 37 N SER A 5 -25.931 -22.337 4.647 1.00 0.00 N ATOM 38 CA SER A 5 -25.850 -21.250 3.679 1.00 0.00 C ATOM 39 C SER A 5 -24.981 -21.645 2.489 1.00 0.00 C ATOM 40 O SER A 5 -23.843 -22.082 2.656 1.00 0.00 O ATOM 41 CB SER A 5 -25.288 -19.991 4.341 1.00 0.00 C ATOM 42 OG SER A 5 -23.931 -20.171 4.710 1.00 0.00 O ATOM 0 H SER A 5 -25.723 -22.063 5.607 1.00 0.00 H new ATOM 0 HA SER A 5 -26.857 -21.043 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.373 -19.147 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.879 -19.746 5.224 1.00 0.00 H new ATOM 0 HG SER A 5 -23.559 -20.938 4.226 1.00 0.00 H new ATOM 48 N SER A 6 -25.527 -21.487 1.288 1.00 0.00 N ATOM 49 CA SER A 6 -24.804 -21.831 0.069 1.00 0.00 C ATOM 50 C SER A 6 -25.318 -21.018 -1.115 1.00 0.00 C ATOM 51 O SER A 6 -26.493 -21.095 -1.472 1.00 0.00 O ATOM 52 CB SER A 6 -24.941 -23.326 -0.227 1.00 0.00 C ATOM 53 OG SER A 6 -24.450 -23.637 -1.519 1.00 0.00 O ATOM 0 H SER A 6 -26.467 -21.123 1.133 1.00 0.00 H new ATOM 0 HA SER A 6 -23.751 -21.593 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.394 -23.900 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.988 -23.620 -0.152 1.00 0.00 H new ATOM 0 HG SER A 6 -24.547 -24.598 -1.683 1.00 0.00 H new ATOM 59 N GLY A 7 -24.428 -20.237 -1.720 1.00 0.00 N ATOM 60 CA GLY A 7 -24.809 -19.420 -2.857 1.00 0.00 C ATOM 61 C GLY A 7 -23.859 -18.261 -3.083 1.00 0.00 C ATOM 62 O GLY A 7 -24.050 -17.177 -2.532 1.00 0.00 O ATOM 0 H GLY A 7 -23.450 -20.156 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.839 -20.041 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.817 -19.035 -2.702 1.00 0.00 H new ATOM 66 N MET A 8 -22.831 -18.489 -3.893 1.00 0.00 N ATOM 67 CA MET A 8 -21.847 -17.454 -4.189 1.00 0.00 C ATOM 68 C MET A 8 -21.711 -17.247 -5.695 1.00 0.00 C ATOM 69 O MET A 8 -21.884 -18.182 -6.478 1.00 0.00 O ATOM 70 CB MET A 8 -20.490 -17.823 -3.588 1.00 0.00 C ATOM 71 CG MET A 8 -20.527 -18.028 -2.083 1.00 0.00 C ATOM 72 SD MET A 8 -18.904 -17.855 -1.318 1.00 0.00 S ATOM 73 CE MET A 8 -18.463 -16.196 -1.829 1.00 0.00 C ATOM 0 H MET A 8 -22.657 -19.381 -4.356 1.00 0.00 H new ATOM 0 HA MET A 8 -22.192 -16.522 -3.742 1.00 0.00 H new ATOM 0 HB2 MET A 8 -20.128 -18.736 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.772 -17.036 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 8 -21.212 -17.306 -1.639 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.923 -19.020 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.834 -15.736 -1.067 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.918 -16.239 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.368 -15.603 -1.960 1.00 0.00 H new ATOM 83 N LYS A 9 -21.400 -16.019 -6.093 1.00 0.00 N ATOM 84 CA LYS A 9 -21.240 -15.689 -7.505 1.00 0.00 C ATOM 85 C LYS A 9 -20.538 -14.345 -7.673 1.00 0.00 C ATOM 86 O LYS A 9 -20.619 -13.478 -6.803 1.00 0.00 O ATOM 87 CB LYS A 9 -22.603 -15.656 -8.200 1.00 0.00 C ATOM 88 CG LYS A 9 -23.454 -14.459 -7.812 1.00 0.00 C ATOM 89 CD LYS A 9 -24.847 -14.548 -8.414 1.00 0.00 C ATOM 90 CE LYS A 9 -25.854 -13.739 -7.610 1.00 0.00 C ATOM 91 NZ LYS A 9 -27.183 -13.687 -8.278 1.00 0.00 N ATOM 0 H LYS A 9 -21.253 -15.235 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.623 -16.461 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.451 -15.649 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.146 -16.570 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.529 -14.401 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.969 -13.542 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.824 -14.185 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.163 -15.591 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.963 -14.178 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -25.478 -12.726 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -27.841 -13.127 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -27.084 -13.245 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -27.554 -14.652 -8.388 1.00 0.00 H new ATOM 105 N PHE A 10 -19.851 -14.179 -8.799 1.00 0.00 N ATOM 106 CA PHE A 10 -19.136 -12.940 -9.081 1.00 0.00 C ATOM 107 C PHE A 10 -19.786 -12.189 -10.239 1.00 0.00 C ATOM 108 O PHE A 10 -20.596 -12.748 -10.978 1.00 0.00 O ATOM 109 CB PHE A 10 -17.671 -13.235 -9.409 1.00 0.00 C ATOM 110 CG PHE A 10 -17.490 -14.369 -10.377 1.00 0.00 C ATOM 111 CD1 PHE A 10 -17.920 -14.252 -11.689 1.00 0.00 C ATOM 112 CD2 PHE A 10 -16.890 -15.552 -9.975 1.00 0.00 C ATOM 113 CE1 PHE A 10 -17.755 -15.295 -12.582 1.00 0.00 C ATOM 114 CE2 PHE A 10 -16.722 -16.597 -10.864 1.00 0.00 C ATOM 115 CZ PHE A 10 -17.155 -16.468 -12.169 1.00 0.00 C ATOM 0 H PHE A 10 -19.775 -14.886 -9.530 1.00 0.00 H new ATOM 0 HA PHE A 10 -19.183 -12.312 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.212 -12.337 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -17.140 -13.468 -8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.389 -13.336 -12.018 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.550 -15.659 -8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.095 -15.192 -13.602 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.253 -17.514 -10.538 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.025 -17.283 -12.865 1.00 0.00 H new ATOM 125 N GLN A 11 -19.426 -10.918 -10.390 1.00 0.00 N ATOM 126 CA GLN A 11 -19.975 -10.090 -11.456 1.00 0.00 C ATOM 127 C GLN A 11 -20.032 -10.862 -12.771 1.00 0.00 C ATOM 128 O GLN A 11 -19.019 -11.373 -13.246 1.00 0.00 O ATOM 129 CB GLN A 11 -19.135 -8.824 -11.631 1.00 0.00 C ATOM 130 CG GLN A 11 -19.379 -7.778 -10.555 1.00 0.00 C ATOM 131 CD GLN A 11 -18.727 -8.136 -9.235 1.00 0.00 C ATOM 132 OE1 GLN A 11 -19.148 -9.073 -8.555 1.00 0.00 O ATOM 133 NE2 GLN A 11 -17.692 -7.391 -8.863 1.00 0.00 N ATOM 0 H GLN A 11 -18.756 -10.440 -9.787 1.00 0.00 H new ATOM 0 HA GLN A 11 -20.990 -9.809 -11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -18.079 -9.095 -11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.350 -8.387 -12.606 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -18.997 -6.816 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.452 -7.660 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.376 -6.624 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.213 -7.586 -7.984 1.00 0.00 H new ATOM 142 N ALA A 12 -21.224 -10.942 -13.353 1.00 0.00 N ATOM 143 CA ALA A 12 -21.413 -11.650 -14.613 1.00 0.00 C ATOM 144 C ALA A 12 -20.380 -11.216 -15.647 1.00 0.00 C ATOM 145 O ALA A 12 -19.629 -12.027 -16.189 1.00 0.00 O ATOM 146 CB ALA A 12 -22.821 -11.421 -15.141 1.00 0.00 C ATOM 0 H ALA A 12 -22.073 -10.525 -12.972 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.276 -12.715 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.948 -11.956 -16.082 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.546 -11.788 -14.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.979 -10.355 -15.305 1.00 0.00 H new ATOM 152 N PRO A 13 -20.339 -9.905 -15.929 1.00 0.00 N ATOM 153 CA PRO A 13 -19.402 -9.333 -16.900 1.00 0.00 C ATOM 154 C PRO A 13 -17.960 -9.372 -16.407 1.00 0.00 C ATOM 155 O PRO A 13 -17.042 -8.946 -17.108 1.00 0.00 O ATOM 156 CB PRO A 13 -19.879 -7.886 -17.044 1.00 0.00 C ATOM 157 CG PRO A 13 -20.575 -7.587 -15.761 1.00 0.00 C ATOM 158 CD PRO A 13 -21.204 -8.880 -15.320 1.00 0.00 C ATOM 0 HA PRO A 13 -19.397 -9.890 -17.837 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -19.042 -7.208 -17.208 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -20.551 -7.774 -17.895 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -19.873 -7.219 -15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.330 -6.813 -15.898 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.226 -8.966 -14.234 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.234 -8.965 -15.667 1.00 0.00 H new ATOM 166 N ALA A 14 -17.767 -9.885 -15.196 1.00 0.00 N ATOM 167 CA ALA A 14 -16.436 -9.981 -14.610 1.00 0.00 C ATOM 168 C ALA A 14 -15.720 -8.636 -14.649 1.00 0.00 C ATOM 169 O ALA A 14 -14.532 -8.563 -14.963 1.00 0.00 O ATOM 170 CB ALA A 14 -15.616 -11.039 -15.334 1.00 0.00 C ATOM 0 H ALA A 14 -18.516 -10.240 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.546 -10.274 -13.566 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.624 -11.100 -14.886 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.113 -12.005 -15.249 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.523 -10.770 -16.386 1.00 0.00 H new ATOM 176 N ARG A 15 -16.451 -7.573 -14.330 1.00 0.00 N ATOM 177 CA ARG A 15 -15.885 -6.229 -14.331 1.00 0.00 C ATOM 178 C ARG A 15 -14.638 -6.163 -13.453 1.00 0.00 C ATOM 179 O ARG A 15 -14.316 -7.115 -12.744 1.00 0.00 O ATOM 180 CB ARG A 15 -16.921 -5.216 -13.840 1.00 0.00 C ATOM 181 CG ARG A 15 -17.263 -5.360 -12.366 1.00 0.00 C ATOM 182 CD ARG A 15 -18.452 -4.493 -11.982 1.00 0.00 C ATOM 183 NE ARG A 15 -19.716 -5.069 -12.431 1.00 0.00 N ATOM 184 CZ ARG A 15 -20.887 -4.810 -11.858 1.00 0.00 C ATOM 185 NH1 ARG A 15 -20.953 -3.988 -10.820 1.00 0.00 N ATOM 186 NH2 ARG A 15 -21.994 -5.373 -12.324 1.00 0.00 N ATOM 0 H ARG A 15 -17.436 -7.616 -14.068 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.602 -5.982 -15.354 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.546 -4.209 -14.020 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.832 -5.327 -14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.485 -6.404 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.399 -5.082 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.475 -4.368 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.332 -3.500 -12.415 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.700 -5.705 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.104 -3.553 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.853 -3.791 -10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.947 -6.005 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.892 -5.173 -11.883 1.00 0.00 H new ATOM 200 N GLU A 16 -13.941 -5.032 -13.508 1.00 0.00 N ATOM 201 CA GLU A 16 -12.730 -4.843 -12.719 1.00 0.00 C ATOM 202 C GLU A 16 -13.051 -4.201 -11.373 1.00 0.00 C ATOM 203 O GLU A 16 -14.179 -3.770 -11.131 1.00 0.00 O ATOM 204 CB GLU A 16 -11.727 -3.977 -13.484 1.00 0.00 C ATOM 205 CG GLU A 16 -11.126 -4.667 -14.697 1.00 0.00 C ATOM 206 CD GLU A 16 -10.767 -6.115 -14.425 1.00 0.00 C ATOM 207 OE1 GLU A 16 -9.741 -6.357 -13.757 1.00 0.00 O ATOM 208 OE2 GLU A 16 -11.513 -7.006 -14.883 1.00 0.00 O ATOM 0 H GLU A 16 -14.194 -4.234 -14.090 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.289 -5.823 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.222 -3.061 -13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.923 -3.684 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.834 -4.621 -15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.233 -4.128 -15.012 1.00 0.00 H new ATOM 215 N THR A 17 -12.051 -4.141 -10.499 1.00 0.00 N ATOM 216 CA THR A 17 -12.227 -3.554 -9.176 1.00 0.00 C ATOM 217 C THR A 17 -10.894 -3.090 -8.600 1.00 0.00 C ATOM 218 O THR A 17 -9.855 -3.708 -8.836 1.00 0.00 O ATOM 219 CB THR A 17 -12.876 -4.553 -8.200 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.716 -5.464 -8.917 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.695 -3.823 -7.145 1.00 0.00 C ATOM 0 H THR A 17 -11.111 -4.492 -10.683 1.00 0.00 H new ATOM 0 HA THR A 17 -12.887 -2.695 -9.296 1.00 0.00 H new ATOM 0 HB THR A 17 -12.082 -5.109 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.123 -6.097 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.144 -4.548 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.047 -3.152 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.481 -3.245 -7.630 1.00 0.00 H new ATOM 229 N CYS A 18 -10.930 -2.000 -7.842 1.00 0.00 N ATOM 230 CA CYS A 18 -9.725 -1.452 -7.230 1.00 0.00 C ATOM 231 C CYS A 18 -9.180 -2.397 -6.162 1.00 0.00 C ATOM 232 O CYS A 18 -9.904 -2.812 -5.257 1.00 0.00 O ATOM 233 CB CYS A 18 -10.017 -0.083 -6.614 1.00 0.00 C ATOM 234 SG CYS A 18 -8.531 0.822 -6.075 1.00 0.00 S ATOM 0 H CYS A 18 -11.782 -1.478 -7.636 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.971 -1.338 -8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.555 0.524 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.679 -0.215 -5.758 1.00 0.00 H new ATOM 239 N VAL A 19 -7.899 -2.732 -6.275 1.00 0.00 N ATOM 240 CA VAL A 19 -7.256 -3.626 -5.320 1.00 0.00 C ATOM 241 C VAL A 19 -6.769 -2.862 -4.094 1.00 0.00 C ATOM 242 O VAL A 19 -5.959 -3.366 -3.317 1.00 0.00 O ATOM 243 CB VAL A 19 -6.064 -4.365 -5.957 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.534 -5.250 -7.100 1.00 0.00 C ATOM 245 CG2 VAL A 19 -5.016 -3.371 -6.436 1.00 0.00 C ATOM 0 H VAL A 19 -7.286 -2.398 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.006 -4.356 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.607 -5.003 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.678 -5.764 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.245 -5.985 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.017 -4.636 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.181 -3.910 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.458 -2.706 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.658 -2.784 -5.590 1.00 0.00 H new ATOM 255 N GLU A 20 -7.270 -1.642 -3.926 1.00 0.00 N ATOM 256 CA GLU A 20 -6.886 -0.807 -2.794 1.00 0.00 C ATOM 257 C GLU A 20 -8.085 -0.525 -1.894 1.00 0.00 C ATOM 258 O GLU A 20 -8.063 -0.823 -0.699 1.00 0.00 O ATOM 259 CB GLU A 20 -6.282 0.510 -3.284 1.00 0.00 C ATOM 260 CG GLU A 20 -4.880 0.363 -3.852 1.00 0.00 C ATOM 261 CD GLU A 20 -3.808 0.416 -2.780 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.804 1.384 -1.992 1.00 0.00 O ATOM 263 OE2 GLU A 20 -2.974 -0.512 -2.730 1.00 0.00 O ATOM 0 H GLU A 20 -7.943 -1.210 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.138 -1.348 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.932 0.936 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.257 1.219 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.806 -0.583 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.701 1.155 -4.579 1.00 0.00 H new ATOM 270 N CYS A 21 -9.132 0.051 -2.475 1.00 0.00 N ATOM 271 CA CYS A 21 -10.341 0.375 -1.728 1.00 0.00 C ATOM 272 C CYS A 21 -11.438 -0.651 -1.997 1.00 0.00 C ATOM 273 O CYS A 21 -12.450 -0.688 -1.298 1.00 0.00 O ATOM 274 CB CYS A 21 -10.834 1.775 -2.098 1.00 0.00 C ATOM 275 SG CYS A 21 -11.184 1.995 -3.872 1.00 0.00 S ATOM 0 H CYS A 21 -9.167 0.303 -3.463 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.099 0.352 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.739 1.992 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.084 2.505 -1.793 1.00 0.00 H new ATOM 280 N GLN A 22 -11.228 -1.481 -3.013 1.00 0.00 N ATOM 281 CA GLN A 22 -12.199 -2.507 -3.374 1.00 0.00 C ATOM 282 C GLN A 22 -13.484 -1.878 -3.903 1.00 0.00 C ATOM 283 O GLN A 22 -14.581 -2.209 -3.454 1.00 0.00 O ATOM 284 CB GLN A 22 -12.510 -3.392 -2.166 1.00 0.00 C ATOM 285 CG GLN A 22 -11.275 -4.004 -1.526 1.00 0.00 C ATOM 286 CD GLN A 22 -10.806 -5.256 -2.240 1.00 0.00 C ATOM 287 OE1 GLN A 22 -11.166 -6.371 -1.863 1.00 0.00 O ATOM 288 NE2 GLN A 22 -9.999 -5.078 -3.279 1.00 0.00 N ATOM 0 H GLN A 22 -10.395 -1.463 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.765 -3.121 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.040 -2.800 -1.420 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.183 -4.192 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.470 -3.269 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.491 -4.244 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.726 -4.135 -3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.652 -5.884 -3.799 1.00 0.00 H new ATOM 297 N LYS A 23 -13.340 -0.968 -4.861 1.00 0.00 N ATOM 298 CA LYS A 23 -14.489 -0.293 -5.454 1.00 0.00 C ATOM 299 C LYS A 23 -14.475 -0.428 -6.973 1.00 0.00 C ATOM 300 O LYS A 23 -13.442 -0.237 -7.615 1.00 0.00 O ATOM 301 CB LYS A 23 -14.493 1.187 -5.063 1.00 0.00 C ATOM 302 CG LYS A 23 -15.182 1.463 -3.737 1.00 0.00 C ATOM 303 CD LYS A 23 -14.397 0.889 -2.570 1.00 0.00 C ATOM 304 CE LYS A 23 -14.603 1.706 -1.304 1.00 0.00 C ATOM 305 NZ LYS A 23 -15.768 1.222 -0.514 1.00 0.00 N ATOM 0 H LYS A 23 -12.439 -0.681 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.394 -0.766 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.464 1.543 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.988 1.760 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.299 2.538 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.183 1.033 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.706 -0.141 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.336 0.865 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.703 1.658 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.753 2.753 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.874 1.805 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.631 1.292 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.614 0.231 -0.240 1.00 0.00 H new ATOM 319 N THR A 24 -15.630 -0.757 -7.544 1.00 0.00 N ATOM 320 CA THR A 24 -15.751 -0.917 -8.987 1.00 0.00 C ATOM 321 C THR A 24 -15.023 0.200 -9.727 1.00 0.00 C ATOM 322 O THR A 24 -15.466 1.348 -9.730 1.00 0.00 O ATOM 323 CB THR A 24 -17.227 -0.932 -9.429 1.00 0.00 C ATOM 324 OG1 THR A 24 -17.995 -1.754 -8.543 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.360 -1.451 -10.853 1.00 0.00 C ATOM 0 H THR A 24 -16.495 -0.918 -7.028 1.00 0.00 H new ATOM 0 HA THR A 24 -15.294 -1.874 -9.238 1.00 0.00 H new ATOM 0 HB THR A 24 -17.604 0.090 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.932 -1.757 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.411 -1.453 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.798 -0.807 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 24 -16.967 -2.466 -10.908 1.00 0.00 H new ATOM 333 N VAL A 25 -13.903 -0.145 -10.354 1.00 0.00 N ATOM 334 CA VAL A 25 -13.114 0.829 -11.100 1.00 0.00 C ATOM 335 C VAL A 25 -13.732 1.108 -12.465 1.00 0.00 C ATOM 336 O VAL A 25 -13.922 0.196 -13.270 1.00 0.00 O ATOM 337 CB VAL A 25 -11.664 0.345 -11.294 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.894 1.310 -12.182 1.00 0.00 C ATOM 339 CG2 VAL A 25 -10.973 0.179 -9.949 1.00 0.00 C ATOM 0 H VAL A 25 -13.521 -1.091 -10.360 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.108 1.748 -10.513 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.687 -0.627 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.872 0.952 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.379 1.374 -13.156 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.878 2.297 -11.719 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.950 -0.163 -10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.960 1.135 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.513 -0.554 -9.350 1.00 0.00 H new ATOM 349 N TYR A 26 -14.044 2.374 -12.719 1.00 0.00 N ATOM 350 CA TYR A 26 -14.643 2.773 -13.987 1.00 0.00 C ATOM 351 C TYR A 26 -13.583 2.892 -15.077 1.00 0.00 C ATOM 352 O TYR A 26 -12.386 2.998 -14.807 1.00 0.00 O ATOM 353 CB TYR A 26 -15.380 4.104 -13.830 1.00 0.00 C ATOM 354 CG TYR A 26 -16.834 3.950 -13.444 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.193 3.381 -12.228 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.847 4.372 -14.295 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.520 3.237 -11.871 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.177 4.234 -13.946 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.508 3.665 -12.733 1.00 0.00 C ATOM 360 OH TYR A 26 -20.831 3.524 -12.382 1.00 0.00 O ATOM 0 H TYR A 26 -13.892 3.141 -12.064 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.356 2.003 -14.281 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.873 4.703 -13.073 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.318 4.657 -14.768 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.422 3.046 -11.551 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.591 4.816 -15.246 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.782 2.792 -10.923 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.953 4.569 -14.618 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.399 3.876 -13.099 1.00 0.00 H new ATOM 370 N PRO A 27 -14.031 2.875 -16.341 1.00 0.00 N ATOM 371 CA PRO A 27 -13.138 2.980 -17.499 1.00 0.00 C ATOM 372 C PRO A 27 -12.524 4.369 -17.633 1.00 0.00 C ATOM 373 O PRO A 27 -11.775 4.640 -18.572 1.00 0.00 O ATOM 374 CB PRO A 27 -14.060 2.687 -18.686 1.00 0.00 C ATOM 375 CG PRO A 27 -15.421 3.060 -18.209 1.00 0.00 C ATOM 376 CD PRO A 27 -15.444 2.751 -16.738 1.00 0.00 C ATOM 0 HA PRO A 27 -12.290 2.300 -17.422 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.774 3.269 -19.562 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.015 1.636 -18.972 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.622 4.116 -18.389 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.188 2.495 -18.738 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.078 3.449 -16.191 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.830 1.750 -16.544 1.00 0.00 H new ATOM 384 N MET A 28 -12.844 5.247 -16.687 1.00 0.00 N ATOM 385 CA MET A 28 -12.321 6.608 -16.699 1.00 0.00 C ATOM 386 C MET A 28 -11.226 6.779 -15.650 1.00 0.00 C ATOM 387 O MET A 28 -10.360 7.643 -15.781 1.00 0.00 O ATOM 388 CB MET A 28 -13.447 7.612 -16.446 1.00 0.00 C ATOM 389 CG MET A 28 -12.986 8.877 -15.741 1.00 0.00 C ATOM 390 SD MET A 28 -14.060 10.288 -16.074 1.00 0.00 S ATOM 391 CE MET A 28 -13.658 10.622 -17.787 1.00 0.00 C ATOM 0 H MET A 28 -13.463 5.040 -15.903 1.00 0.00 H new ATOM 0 HA MET A 28 -11.890 6.796 -17.682 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.903 7.882 -17.399 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.222 7.133 -15.847 1.00 0.00 H new ATOM 0 HG2 MET A 28 -12.951 8.697 -14.666 1.00 0.00 H new ATOM 0 HG3 MET A 28 -11.971 9.115 -16.058 1.00 0.00 H new ATOM 0 HE1 MET A 28 -13.899 11.659 -18.022 1.00 0.00 H new ATOM 0 HE2 MET A 28 -12.594 10.450 -17.951 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.236 9.960 -18.432 1.00 0.00 H new ATOM 401 N GLU A 29 -11.273 5.950 -14.612 1.00 0.00 N ATOM 402 CA GLU A 29 -10.285 6.012 -13.541 1.00 0.00 C ATOM 403 C GLU A 29 -9.534 4.689 -13.417 1.00 0.00 C ATOM 404 O GLU A 29 -8.980 4.375 -12.364 1.00 0.00 O ATOM 405 CB GLU A 29 -10.961 6.354 -12.212 1.00 0.00 C ATOM 406 CG GLU A 29 -12.202 5.524 -11.929 1.00 0.00 C ATOM 407 CD GLU A 29 -13.083 6.138 -10.859 1.00 0.00 C ATOM 408 OE1 GLU A 29 -13.039 7.374 -10.690 1.00 0.00 O ATOM 409 OE2 GLU A 29 -13.818 5.381 -10.190 1.00 0.00 O ATOM 0 H GLU A 29 -11.984 5.228 -14.490 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.568 6.795 -13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.245 6.210 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.233 7.410 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.777 5.413 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.902 4.523 -11.617 1.00 0.00 H new ATOM 416 N ARG A 30 -9.521 3.919 -14.500 1.00 0.00 N ATOM 417 CA ARG A 30 -8.841 2.630 -14.512 1.00 0.00 C ATOM 418 C ARG A 30 -7.354 2.802 -14.811 1.00 0.00 C ATOM 419 O ARG A 30 -6.967 3.082 -15.946 1.00 0.00 O ATOM 420 CB ARG A 30 -9.476 1.703 -15.550 1.00 0.00 C ATOM 421 CG ARG A 30 -8.891 0.300 -15.554 1.00 0.00 C ATOM 422 CD ARG A 30 -9.083 -0.379 -16.901 1.00 0.00 C ATOM 423 NE ARG A 30 -8.588 -1.753 -16.896 1.00 0.00 N ATOM 424 CZ ARG A 30 -8.941 -2.665 -17.796 1.00 0.00 C ATOM 425 NH1 ARG A 30 -9.786 -2.349 -18.767 1.00 0.00 N ATOM 426 NH2 ARG A 30 -8.447 -3.894 -17.725 1.00 0.00 N ATOM 0 H ARG A 30 -9.974 4.166 -15.380 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.947 2.184 -13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.548 1.640 -15.361 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.352 2.142 -16.540 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.828 0.347 -15.317 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.365 -0.296 -14.774 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.142 -0.376 -17.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.564 0.191 -17.672 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.936 -2.028 -16.162 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.167 -1.404 -18.825 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.056 -3.050 -19.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.796 -4.140 -16.979 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.718 -4.593 -18.416 1.00 0.00 H new ATOM 440 N LEU A 31 -6.527 2.634 -13.786 1.00 0.00 N ATOM 441 CA LEU A 31 -5.082 2.772 -13.938 1.00 0.00 C ATOM 442 C LEU A 31 -4.379 1.442 -13.684 1.00 0.00 C ATOM 443 O LEU A 31 -4.259 0.999 -12.542 1.00 0.00 O ATOM 444 CB LEU A 31 -4.548 3.835 -12.977 1.00 0.00 C ATOM 445 CG LEU A 31 -3.028 4.002 -12.939 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.657 5.451 -12.663 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.417 3.084 -11.891 1.00 0.00 C ATOM 0 H LEU A 31 -6.831 2.402 -12.840 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.877 3.081 -14.963 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.992 4.794 -13.244 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.892 3.593 -11.971 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.627 3.725 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.572 5.551 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.063 6.087 -13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.070 5.756 -11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.335 3.216 -11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.824 3.329 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.653 2.048 -12.133 1.00 0.00 H new ATOM 459 N LEU A 32 -3.914 0.811 -14.757 1.00 0.00 N ATOM 460 CA LEU A 32 -3.220 -0.468 -14.652 1.00 0.00 C ATOM 461 C LEU A 32 -1.880 -0.303 -13.941 1.00 0.00 C ATOM 462 O LEU A 32 -1.070 0.545 -14.312 1.00 0.00 O ATOM 463 CB LEU A 32 -3.002 -1.069 -16.041 1.00 0.00 C ATOM 464 CG LEU A 32 -2.992 -2.596 -16.118 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.879 -3.166 -15.253 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.341 -3.160 -15.696 1.00 0.00 C ATOM 0 H LEU A 32 -4.005 1.164 -15.710 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.842 -1.143 -14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.784 -0.697 -16.703 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.053 -0.699 -16.430 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.806 -2.888 -17.152 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.887 -4.254 -15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.918 -2.788 -15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.033 -2.865 -14.217 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.316 -4.248 -15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.557 -2.859 -14.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.118 -2.778 -16.358 1.00 0.00 H new ATOM 478 N ALA A 33 -1.654 -1.121 -12.918 1.00 0.00 N ATOM 479 CA ALA A 33 -0.411 -1.069 -12.159 1.00 0.00 C ATOM 480 C ALA A 33 -0.028 -2.450 -11.637 1.00 0.00 C ATOM 481 O ALA A 33 -0.705 -3.007 -10.773 1.00 0.00 O ATOM 482 CB ALA A 33 -0.538 -0.084 -11.006 1.00 0.00 C ATOM 0 H ALA A 33 -2.316 -1.827 -12.596 1.00 0.00 H new ATOM 0 HA ALA A 33 0.380 -0.730 -12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.398 -0.055 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.757 0.909 -11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.345 -0.399 -10.345 1.00 0.00 H new ATOM 488 N ASN A 34 1.060 -2.997 -12.168 1.00 0.00 N ATOM 489 CA ASN A 34 1.532 -4.314 -11.756 1.00 0.00 C ATOM 490 C ASN A 34 0.521 -5.395 -12.128 1.00 0.00 C ATOM 491 O ASN A 34 0.312 -6.347 -11.376 1.00 0.00 O ATOM 492 CB ASN A 34 1.790 -4.338 -10.248 1.00 0.00 C ATOM 493 CG ASN A 34 2.893 -5.307 -9.866 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.789 -5.589 -10.661 1.00 0.00 O ATOM 495 ND2 ASN A 34 2.830 -5.821 -8.643 1.00 0.00 N ATOM 0 H ASN A 34 1.632 -2.549 -12.884 1.00 0.00 H new ATOM 0 HA ASN A 34 2.465 -4.518 -12.280 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.057 -3.336 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.872 -4.614 -9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.543 -6.479 -8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.068 -5.558 -8.018 1.00 0.00 H new ATOM 502 N GLN A 35 -0.103 -5.240 -13.291 1.00 0.00 N ATOM 503 CA GLN A 35 -1.092 -6.202 -13.761 1.00 0.00 C ATOM 504 C GLN A 35 -2.309 -6.225 -12.842 1.00 0.00 C ATOM 505 O GLN A 35 -2.901 -7.278 -12.608 1.00 0.00 O ATOM 506 CB GLN A 35 -0.475 -7.599 -13.845 1.00 0.00 C ATOM 507 CG GLN A 35 0.742 -7.673 -14.752 1.00 0.00 C ATOM 508 CD GLN A 35 0.931 -9.047 -15.364 1.00 0.00 C ATOM 509 OE1 GLN A 35 -0.006 -9.843 -15.435 1.00 0.00 O ATOM 510 NE2 GLN A 35 2.148 -9.334 -15.812 1.00 0.00 N ATOM 0 H GLN A 35 0.059 -4.457 -13.925 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.417 -5.895 -14.755 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.192 -7.923 -12.844 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.229 -8.299 -14.205 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.642 -6.935 -15.548 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.632 -7.408 -14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.896 -8.645 -15.733 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.335 -10.243 -16.235 1.00 0.00 H new ATOM 519 N GLN A 36 -2.676 -5.057 -12.325 1.00 0.00 N ATOM 520 CA GLN A 36 -3.823 -4.944 -11.431 1.00 0.00 C ATOM 521 C GLN A 36 -4.507 -3.591 -11.591 1.00 0.00 C ATOM 522 O GLN A 36 -3.859 -2.587 -11.889 1.00 0.00 O ATOM 523 CB GLN A 36 -3.384 -5.139 -9.979 1.00 0.00 C ATOM 524 CG GLN A 36 -3.219 -6.598 -9.583 1.00 0.00 C ATOM 525 CD GLN A 36 -3.132 -6.789 -8.082 1.00 0.00 C ATOM 526 OE1 GLN A 36 -2.224 -6.271 -7.431 1.00 0.00 O ATOM 527 NE2 GLN A 36 -4.077 -7.536 -7.524 1.00 0.00 N ATOM 0 H GLN A 36 -2.196 -4.176 -12.509 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.537 -5.724 -11.696 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.439 -4.619 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.118 -4.673 -9.321 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.060 -7.173 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.318 -6.997 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.811 -7.946 -8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.069 -7.700 -6.517 1.00 0.00 H new ATOM 536 N VAL A 37 -5.821 -3.570 -11.392 1.00 0.00 N ATOM 537 CA VAL A 37 -6.593 -2.339 -11.513 1.00 0.00 C ATOM 538 C VAL A 37 -6.393 -1.443 -10.296 1.00 0.00 C ATOM 539 O VAL A 37 -6.678 -1.839 -9.166 1.00 0.00 O ATOM 540 CB VAL A 37 -8.096 -2.634 -11.678 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.882 -1.339 -11.814 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.332 -3.539 -12.878 1.00 0.00 C ATOM 0 H VAL A 37 -6.373 -4.392 -11.146 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.231 -1.824 -12.403 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.447 -3.152 -10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.942 -1.567 -11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.737 -0.730 -10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.531 -0.791 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.399 -3.737 -12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.966 -3.049 -13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.800 -4.480 -12.735 1.00 0.00 H new ATOM 552 N PHE A 38 -5.902 -0.231 -10.535 1.00 0.00 N ATOM 553 CA PHE A 38 -5.662 0.723 -9.459 1.00 0.00 C ATOM 554 C PHE A 38 -6.306 2.070 -9.773 1.00 0.00 C ATOM 555 O PHE A 38 -6.446 2.448 -10.937 1.00 0.00 O ATOM 556 CB PHE A 38 -4.160 0.903 -9.233 1.00 0.00 C ATOM 557 CG PHE A 38 -3.552 -0.163 -8.367 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.549 -0.036 -6.987 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.984 -1.293 -8.933 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.989 -1.015 -6.189 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.423 -2.276 -8.139 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.427 -2.137 -6.765 1.00 0.00 C ATOM 0 H PHE A 38 -5.663 0.113 -11.465 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.114 0.327 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.654 0.908 -10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.984 1.876 -8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.989 0.838 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.979 -1.407 -10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.991 -0.903 -5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.982 -3.151 -8.593 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.991 -2.904 -6.142 1.00 0.00 H new ATOM 572 N HIS A 39 -6.697 2.791 -8.727 1.00 0.00 N ATOM 573 CA HIS A 39 -7.326 4.097 -8.890 1.00 0.00 C ATOM 574 C HIS A 39 -6.275 5.197 -8.996 1.00 0.00 C ATOM 575 O HIS A 39 -5.420 5.338 -8.121 1.00 0.00 O ATOM 576 CB HIS A 39 -8.266 4.384 -7.719 1.00 0.00 C ATOM 577 CG HIS A 39 -9.671 3.922 -7.951 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.519 3.548 -6.930 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.377 3.775 -9.097 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.685 3.190 -7.437 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.625 3.319 -8.750 1.00 0.00 N ATOM 0 H HIS A 39 -6.589 2.493 -7.757 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.904 4.081 -9.814 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.876 3.899 -6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.273 5.456 -7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.024 3.978 -10.097 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.541 2.850 -6.874 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.383 3.113 -9.401 1.00 0.00 H new ATOM 589 N ILE A 40 -6.343 5.973 -10.073 1.00 0.00 N ATOM 590 CA ILE A 40 -5.397 7.060 -10.292 1.00 0.00 C ATOM 591 C ILE A 40 -5.105 7.804 -8.993 1.00 0.00 C ATOM 592 O ILE A 40 -4.053 8.427 -8.846 1.00 0.00 O ATOM 593 CB ILE A 40 -5.923 8.061 -11.337 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.855 7.451 -12.739 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.126 9.356 -11.278 1.00 0.00 C ATOM 596 CD1 ILE A 40 -7.121 6.729 -13.145 1.00 0.00 C ATOM 0 H ILE A 40 -7.043 5.869 -10.807 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.477 6.609 -10.664 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.965 8.287 -11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.649 8.241 -13.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.018 6.754 -12.783 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.510 10.054 -12.023 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.220 9.796 -10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.076 9.147 -11.484 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.002 6.322 -14.149 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.317 5.917 -12.445 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.958 7.427 -13.134 1.00 0.00 H new ATOM 608 N SER A 41 -6.043 7.735 -8.054 1.00 0.00 N ATOM 609 CA SER A 41 -5.887 8.404 -6.767 1.00 0.00 C ATOM 610 C SER A 41 -5.302 7.453 -5.728 1.00 0.00 C ATOM 611 O SER A 41 -4.286 7.751 -5.099 1.00 0.00 O ATOM 612 CB SER A 41 -7.235 8.941 -6.282 1.00 0.00 C ATOM 613 OG SER A 41 -7.084 9.695 -5.091 1.00 0.00 O ATOM 0 H SER A 41 -6.919 7.223 -8.160 1.00 0.00 H new ATOM 0 HA SER A 41 -5.198 9.238 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.682 9.564 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.919 8.111 -6.107 1.00 0.00 H new ATOM 0 HG SER A 41 -7.959 10.029 -4.802 1.00 0.00 H new ATOM 619 N CYS A 42 -5.950 6.306 -5.553 1.00 0.00 N ATOM 620 CA CYS A 42 -5.496 5.310 -4.590 1.00 0.00 C ATOM 621 C CYS A 42 -4.014 5.002 -4.784 1.00 0.00 C ATOM 622 O CYS A 42 -3.270 4.843 -3.816 1.00 0.00 O ATOM 623 CB CYS A 42 -6.317 4.026 -4.727 1.00 0.00 C ATOM 624 SG CYS A 42 -8.079 4.223 -4.306 1.00 0.00 S ATOM 0 H CYS A 42 -6.792 6.043 -6.066 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.637 5.718 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.237 3.664 -5.752 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.884 3.260 -4.084 1.00 0.00 H new ATOM 629 N PHE A 43 -3.592 4.919 -6.041 1.00 0.00 N ATOM 630 CA PHE A 43 -2.200 4.629 -6.363 1.00 0.00 C ATOM 631 C PHE A 43 -1.257 5.407 -5.449 1.00 0.00 C ATOM 632 O PHE A 43 -0.988 6.587 -5.677 1.00 0.00 O ATOM 633 CB PHE A 43 -1.910 4.973 -7.825 1.00 0.00 C ATOM 634 CG PHE A 43 -0.846 4.112 -8.444 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.875 2.735 -8.290 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.182 4.679 -9.180 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.104 1.940 -8.858 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.163 3.889 -9.750 1.00 0.00 C ATOM 639 CZ PHE A 43 1.123 2.518 -9.590 1.00 0.00 C ATOM 0 H PHE A 43 -4.194 5.049 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.032 3.563 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.829 4.873 -8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.605 6.017 -7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.671 2.278 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.217 5.751 -9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.072 0.868 -8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.960 4.344 -10.320 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.887 1.899 -10.036 1.00 0.00 H new ATOM 649 N ARG A 44 -0.759 4.738 -4.415 1.00 0.00 N ATOM 650 CA ARG A 44 0.152 5.366 -3.465 1.00 0.00 C ATOM 651 C ARG A 44 1.061 4.327 -2.816 1.00 0.00 C ATOM 652 O ARG A 44 0.871 3.124 -2.991 1.00 0.00 O ATOM 653 CB ARG A 44 -0.636 6.115 -2.389 1.00 0.00 C ATOM 654 CG ARG A 44 -1.544 7.201 -2.943 1.00 0.00 C ATOM 655 CD ARG A 44 -2.501 7.722 -1.882 1.00 0.00 C ATOM 656 NE ARG A 44 -3.498 6.723 -1.506 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.673 7.025 -0.965 1.00 0.00 C ATOM 658 NH1 ARG A 44 -4.996 8.291 -0.738 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.528 6.060 -0.650 1.00 0.00 N ATOM 0 H ARG A 44 -0.971 3.761 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 44 0.773 6.076 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.239 5.400 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.064 6.563 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.939 8.024 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.113 6.807 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.936 8.020 -0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.004 8.614 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.280 5.740 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.342 9.035 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.899 8.520 -0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.283 5.085 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.430 6.293 -0.235 1.00 0.00 H new ATOM 673 N CYS A 45 2.050 4.801 -2.066 1.00 0.00 N ATOM 674 CA CYS A 45 2.991 3.915 -1.390 1.00 0.00 C ATOM 675 C CYS A 45 2.344 3.263 -0.171 1.00 0.00 C ATOM 676 O CYS A 45 1.565 3.894 0.543 1.00 0.00 O ATOM 677 CB CYS A 45 4.239 4.690 -0.966 1.00 0.00 C ATOM 678 SG CYS A 45 5.345 3.766 0.148 1.00 0.00 S ATOM 0 H CYS A 45 2.221 5.795 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 45 3.280 3.130 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.796 4.977 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.931 5.612 -0.472 1.00 0.00 H new ATOM 683 N SER A 46 2.674 1.997 0.060 1.00 0.00 N ATOM 684 CA SER A 46 2.123 1.258 1.190 1.00 0.00 C ATOM 685 C SER A 46 2.916 1.541 2.463 1.00 0.00 C ATOM 686 O SER A 46 2.953 0.720 3.380 1.00 0.00 O ATOM 687 CB SER A 46 2.128 -0.244 0.896 1.00 0.00 C ATOM 688 OG SER A 46 1.495 -0.969 1.936 1.00 0.00 O ATOM 0 H SER A 46 3.320 1.461 -0.520 1.00 0.00 H new ATOM 0 HA SER A 46 1.095 1.588 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.617 -0.435 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.154 -0.591 0.779 1.00 0.00 H new ATOM 0 HG SER A 46 1.780 -0.613 2.803 1.00 0.00 H new ATOM 694 N TYR A 47 3.548 2.708 2.510 1.00 0.00 N ATOM 695 CA TYR A 47 4.342 3.100 3.668 1.00 0.00 C ATOM 696 C TYR A 47 4.023 4.532 4.089 1.00 0.00 C ATOM 697 O TYR A 47 3.713 4.796 5.251 1.00 0.00 O ATOM 698 CB TYR A 47 5.834 2.969 3.358 1.00 0.00 C ATOM 699 CG TYR A 47 6.713 2.985 4.589 1.00 0.00 C ATOM 700 CD1 TYR A 47 6.702 4.068 5.459 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.553 1.918 4.880 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.503 4.087 6.585 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.357 1.928 6.004 1.00 0.00 C ATOM 704 CZ TYR A 47 8.328 3.015 6.853 1.00 0.00 C ATOM 705 OH TYR A 47 9.128 3.029 7.972 1.00 0.00 O ATOM 0 H TYR A 47 3.526 3.399 1.760 1.00 0.00 H new ATOM 0 HA TYR A 47 4.089 2.433 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.003 2.040 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.132 3.784 2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.057 4.909 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.578 1.066 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.483 4.937 7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.004 1.090 6.216 1.00 0.00 H new ATOM 0 HH TYR A 47 9.646 2.198 8.014 1.00 0.00 H new ATOM 715 N CYS A 48 4.101 5.453 3.134 1.00 0.00 N ATOM 716 CA CYS A 48 3.821 6.858 3.402 1.00 0.00 C ATOM 717 C CYS A 48 2.455 7.256 2.851 1.00 0.00 C ATOM 718 O CYS A 48 1.833 8.204 3.328 1.00 0.00 O ATOM 719 CB CYS A 48 4.908 7.743 2.789 1.00 0.00 C ATOM 720 SG CYS A 48 5.363 7.287 1.085 1.00 0.00 S ATOM 0 H CYS A 48 4.356 5.251 2.167 1.00 0.00 H new ATOM 0 HA CYS A 48 3.813 7.000 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.567 8.778 2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.798 7.695 3.417 1.00 0.00 H new ATOM 725 N ASN A 49 1.994 6.522 1.842 1.00 0.00 N ATOM 726 CA ASN A 49 0.702 6.798 1.225 1.00 0.00 C ATOM 727 C ASN A 49 0.768 8.054 0.363 1.00 0.00 C ATOM 728 O ASN A 49 -0.118 8.906 0.420 1.00 0.00 O ATOM 729 CB ASN A 49 -0.376 6.959 2.299 1.00 0.00 C ATOM 730 CG ASN A 49 -1.778 6.844 1.733 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.505 7.833 1.640 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.164 5.632 1.351 1.00 0.00 N ATOM 0 H ASN A 49 2.496 5.733 1.435 1.00 0.00 H new ATOM 0 HA ASN A 49 0.445 5.953 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.234 6.200 3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.261 7.929 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.097 5.493 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.528 4.840 1.447 1.00 0.00 H new ATOM 739 N ASN A 50 1.825 8.162 -0.436 1.00 0.00 N ATOM 740 CA ASN A 50 2.007 9.315 -1.311 1.00 0.00 C ATOM 741 C ASN A 50 1.597 8.982 -2.742 1.00 0.00 C ATOM 742 O ASN A 50 1.771 7.854 -3.204 1.00 0.00 O ATOM 743 CB ASN A 50 3.465 9.779 -1.281 1.00 0.00 C ATOM 744 CG ASN A 50 4.392 8.819 -2.002 1.00 0.00 C ATOM 745 OD1 ASN A 50 4.132 7.617 -2.065 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.480 9.347 -2.549 1.00 0.00 N ATOM 0 H ASN A 50 2.568 7.466 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 50 1.369 10.120 -0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.539 10.765 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.789 9.884 -0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.141 8.751 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.655 10.349 -2.472 1.00 0.00 H new ATOM 753 N LYS A 51 1.051 9.971 -3.441 1.00 0.00 N ATOM 754 CA LYS A 51 0.617 9.786 -4.821 1.00 0.00 C ATOM 755 C LYS A 51 1.791 9.392 -5.712 1.00 0.00 C ATOM 756 O LYS A 51 2.875 9.969 -5.619 1.00 0.00 O ATOM 757 CB LYS A 51 -0.031 11.067 -5.350 1.00 0.00 C ATOM 758 CG LYS A 51 -1.530 11.132 -5.116 1.00 0.00 C ATOM 759 CD LYS A 51 -2.302 10.528 -6.277 1.00 0.00 C ATOM 760 CE LYS A 51 -2.342 11.471 -7.470 1.00 0.00 C ATOM 761 NZ LYS A 51 -3.480 12.428 -7.384 1.00 0.00 N ATOM 0 H LYS A 51 0.898 10.910 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.117 8.981 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.440 11.926 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.165 11.149 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.779 10.601 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.833 12.170 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.840 9.586 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.319 10.298 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.405 12.025 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.425 10.891 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.472 13.053 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.376 11.900 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.388 13.000 -6.520 1.00 0.00 H new ATOM 775 N LEU A 52 1.568 8.408 -6.576 1.00 0.00 N ATOM 776 CA LEU A 52 2.607 7.938 -7.485 1.00 0.00 C ATOM 777 C LEU A 52 2.099 7.910 -8.924 1.00 0.00 C ATOM 778 O LEU A 52 0.953 8.268 -9.195 1.00 0.00 O ATOM 779 CB LEU A 52 3.081 6.543 -7.073 1.00 0.00 C ATOM 780 CG LEU A 52 3.364 6.344 -5.583 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.451 4.863 -5.250 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.647 7.059 -5.185 1.00 0.00 C ATOM 0 H LEU A 52 0.677 7.920 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 52 3.446 8.631 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.326 5.819 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.989 6.310 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 52 2.540 6.775 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.653 4.741 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.507 4.378 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.256 4.407 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.833 6.907 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.481 6.657 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.547 8.125 -5.387 1.00 0.00 H new ATOM 794 N SER A 53 2.960 7.480 -9.841 1.00 0.00 N ATOM 795 CA SER A 53 2.600 7.407 -11.252 1.00 0.00 C ATOM 796 C SER A 53 3.366 6.288 -11.951 1.00 0.00 C ATOM 797 O SER A 53 4.400 5.829 -11.464 1.00 0.00 O ATOM 798 CB SER A 53 2.883 8.742 -11.943 1.00 0.00 C ATOM 799 OG SER A 53 1.762 9.606 -11.862 1.00 0.00 O ATOM 0 H SER A 53 3.911 7.177 -9.632 1.00 0.00 H new ATOM 0 HA SER A 53 1.534 7.191 -11.318 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.747 9.218 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.137 8.567 -12.989 1.00 0.00 H new ATOM 0 HG SER A 53 1.246 9.398 -11.055 1.00 0.00 H new ATOM 805 N LEU A 54 2.851 5.852 -13.095 1.00 0.00 N ATOM 806 CA LEU A 54 3.485 4.786 -13.863 1.00 0.00 C ATOM 807 C LEU A 54 4.935 5.135 -14.185 1.00 0.00 C ATOM 808 O LEU A 54 5.212 5.874 -15.129 1.00 0.00 O ATOM 809 CB LEU A 54 2.711 4.533 -15.158 1.00 0.00 C ATOM 810 CG LEU A 54 1.239 4.150 -14.995 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.575 3.994 -16.355 1.00 0.00 C ATOM 812 CD2 LEU A 54 1.108 2.868 -14.185 1.00 0.00 C ATOM 0 H LEU A 54 1.996 6.220 -13.512 1.00 0.00 H new ATOM 0 HA LEU A 54 3.474 3.880 -13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.766 5.432 -15.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.214 3.738 -15.709 1.00 0.00 H new ATOM 0 HG LEU A 54 0.732 4.950 -14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.472 3.721 -16.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.637 4.936 -16.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.083 3.213 -16.921 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.054 2.611 -14.079 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.629 2.059 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.547 3.015 -13.198 1.00 0.00 H new ATOM 824 N GLY A 55 5.858 4.596 -13.393 1.00 0.00 N ATOM 825 CA GLY A 55 7.268 4.861 -13.611 1.00 0.00 C ATOM 826 C GLY A 55 8.003 5.182 -12.325 1.00 0.00 C ATOM 827 O GLY A 55 9.140 4.753 -12.127 1.00 0.00 O ATOM 0 H GLY A 55 5.654 3.981 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.729 3.993 -14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.375 5.695 -14.305 1.00 0.00 H new ATOM 831 N THR A 56 7.353 5.940 -11.447 1.00 0.00 N ATOM 832 CA THR A 56 7.953 6.321 -10.174 1.00 0.00 C ATOM 833 C THR A 56 7.447 5.435 -9.041 1.00 0.00 C ATOM 834 O THR A 56 7.722 5.693 -7.869 1.00 0.00 O ATOM 835 CB THR A 56 7.657 7.793 -9.832 1.00 0.00 C ATOM 836 OG1 THR A 56 6.252 7.973 -9.617 1.00 0.00 O ATOM 837 CG2 THR A 56 8.126 8.713 -10.948 1.00 0.00 C ATOM 0 H THR A 56 6.411 6.302 -11.594 1.00 0.00 H new ATOM 0 HA THR A 56 9.030 6.190 -10.280 1.00 0.00 H new ATOM 0 HB THR A 56 8.199 8.047 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.072 8.911 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.906 9.747 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.200 8.595 -11.089 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.608 8.457 -11.872 1.00 0.00 H new ATOM 845 N TYR A 57 6.707 4.391 -9.398 1.00 0.00 N ATOM 846 CA TYR A 57 6.161 3.468 -8.410 1.00 0.00 C ATOM 847 C TYR A 57 6.818 2.096 -8.524 1.00 0.00 C ATOM 848 O TYR A 57 7.109 1.625 -9.623 1.00 0.00 O ATOM 849 CB TYR A 57 4.647 3.337 -8.585 1.00 0.00 C ATOM 850 CG TYR A 57 4.242 2.238 -9.542 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.051 0.937 -9.094 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.050 2.501 -10.892 1.00 0.00 C ATOM 853 CE1 TYR A 57 3.681 -0.071 -9.964 1.00 0.00 C ATOM 854 CE2 TYR A 57 3.679 1.501 -11.769 1.00 0.00 C ATOM 855 CZ TYR A 57 3.496 0.216 -11.301 1.00 0.00 C ATOM 856 OH TYR A 57 3.127 -0.784 -12.171 1.00 0.00 O ATOM 0 H TYR A 57 6.472 4.163 -10.364 1.00 0.00 H new ATOM 0 HA TYR A 57 6.372 3.870 -7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.192 3.147 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.247 4.286 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.194 0.709 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.193 3.505 -11.262 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.537 -1.077 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.533 1.724 -12.816 1.00 0.00 H new ATOM 0 HH TYR A 57 3.037 -0.415 -13.074 1.00 0.00 H new ATOM 866 N ALA A 58 7.049 1.461 -7.380 1.00 0.00 N ATOM 867 CA ALA A 58 7.670 0.142 -7.350 1.00 0.00 C ATOM 868 C ALA A 58 6.799 -0.857 -6.595 1.00 0.00 C ATOM 869 O ALA A 58 6.748 -0.845 -5.365 1.00 0.00 O ATOM 870 CB ALA A 58 9.052 0.223 -6.719 1.00 0.00 C ATOM 0 H ALA A 58 6.816 1.838 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 58 7.772 -0.208 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.504 -0.769 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.679 0.898 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.965 0.598 -5.699 1.00 0.00 H new ATOM 876 N SER A 59 6.116 -1.720 -7.340 1.00 0.00 N ATOM 877 CA SER A 59 5.243 -2.723 -6.740 1.00 0.00 C ATOM 878 C SER A 59 6.022 -3.994 -6.414 1.00 0.00 C ATOM 879 O SER A 59 6.711 -4.551 -7.269 1.00 0.00 O ATOM 880 CB SER A 59 4.084 -3.050 -7.683 1.00 0.00 C ATOM 881 OG SER A 59 4.558 -3.556 -8.919 1.00 0.00 O ATOM 0 H SER A 59 6.150 -1.745 -8.359 1.00 0.00 H new ATOM 0 HA SER A 59 4.843 -2.314 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.426 -3.782 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.489 -2.153 -7.858 1.00 0.00 H new ATOM 0 HG SER A 59 5.453 -3.936 -8.795 1.00 0.00 H new ATOM 887 N LEU A 60 5.906 -4.447 -5.170 1.00 0.00 N ATOM 888 CA LEU A 60 6.598 -5.653 -4.729 1.00 0.00 C ATOM 889 C LEU A 60 5.610 -6.679 -4.183 1.00 0.00 C ATOM 890 O LEU A 60 5.194 -6.603 -3.027 1.00 0.00 O ATOM 891 CB LEU A 60 7.634 -5.307 -3.658 1.00 0.00 C ATOM 892 CG LEU A 60 8.470 -6.473 -3.131 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.537 -6.864 -4.141 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.105 -6.114 -1.795 1.00 0.00 C ATOM 0 H LEU A 60 5.340 -3.998 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 60 7.105 -6.087 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.311 -4.556 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.117 -4.847 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 60 7.811 -7.328 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.122 -7.696 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.062 -7.164 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.193 -6.013 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.696 -6.956 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.750 -5.245 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.324 -5.884 -1.071 1.00 0.00 H new ATOM 906 N HIS A 61 5.239 -7.641 -5.023 1.00 0.00 N ATOM 907 CA HIS A 61 4.302 -8.685 -4.624 1.00 0.00 C ATOM 908 C HIS A 61 2.878 -8.141 -4.560 1.00 0.00 C ATOM 909 O HIS A 61 2.033 -8.670 -3.839 1.00 0.00 O ATOM 910 CB HIS A 61 4.700 -9.266 -3.267 1.00 0.00 C ATOM 911 CG HIS A 61 6.175 -9.475 -3.115 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.781 -9.704 -1.898 1.00 0.00 N ATOM 913 CD2 HIS A 61 7.167 -9.489 -4.036 1.00 0.00 C ATOM 914 CE1 HIS A 61 8.082 -9.849 -2.076 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.342 -9.724 -3.365 1.00 0.00 N ATOM 0 H HIS A 61 5.573 -7.719 -5.984 1.00 0.00 H new ATOM 0 HA HIS A 61 4.337 -9.476 -5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.353 -8.598 -2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.190 -10.219 -3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.055 -9.343 -5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.809 -10.038 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.266 -9.791 -3.793 1.00 0.00 H new ATOM 924 N GLY A 62 2.620 -7.079 -5.318 1.00 0.00 N ATOM 925 CA GLY A 62 1.298 -6.481 -5.331 1.00 0.00 C ATOM 926 C GLY A 62 1.230 -5.207 -4.512 1.00 0.00 C ATOM 927 O GLY A 62 0.370 -4.357 -4.745 1.00 0.00 O ATOM 0 H GLY A 62 3.303 -6.623 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.011 -6.264 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.574 -7.198 -4.943 1.00 0.00 H new ATOM 931 N ARG A 63 2.138 -5.074 -3.551 1.00 0.00 N ATOM 932 CA ARG A 63 2.175 -3.896 -2.693 1.00 0.00 C ATOM 933 C ARG A 63 2.937 -2.757 -3.366 1.00 0.00 C ATOM 934 O ARG A 63 4.052 -2.947 -3.854 1.00 0.00 O ATOM 935 CB ARG A 63 2.826 -4.236 -1.351 1.00 0.00 C ATOM 936 CG ARG A 63 1.846 -4.763 -0.316 1.00 0.00 C ATOM 937 CD ARG A 63 1.273 -3.639 0.532 1.00 0.00 C ATOM 938 NE ARG A 63 0.182 -2.944 -0.146 1.00 0.00 N ATOM 939 CZ ARG A 63 -1.074 -3.376 -0.153 1.00 0.00 C ATOM 940 NH1 ARG A 63 -1.396 -4.496 0.480 1.00 0.00 N ATOM 941 NH2 ARG A 63 -2.011 -2.688 -0.793 1.00 0.00 N ATOM 0 H ARG A 63 2.858 -5.767 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 63 1.149 -3.572 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.606 -4.980 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.313 -3.344 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.035 -5.292 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.348 -5.486 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.912 -4.045 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.063 -2.927 0.772 1.00 0.00 H new ATOM 0 HE ARG A 63 0.396 -2.079 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.679 -5.027 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.361 -4.826 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.767 -1.826 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.975 -3.021 -0.797 1.00 0.00 H new ATOM 955 N ILE A 64 2.329 -1.577 -3.387 1.00 0.00 N ATOM 956 CA ILE A 64 2.950 -0.409 -3.999 1.00 0.00 C ATOM 957 C ILE A 64 3.897 0.284 -3.025 1.00 0.00 C ATOM 958 O ILE A 64 3.654 0.309 -1.818 1.00 0.00 O ATOM 959 CB ILE A 64 1.894 0.604 -4.479 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.745 -0.119 -5.184 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.528 1.632 -5.405 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.168 -0.844 -6.442 1.00 0.00 C ATOM 0 H ILE A 64 1.407 -1.404 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 64 3.515 -0.767 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 64 1.492 1.125 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.300 -0.836 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.030 0.606 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.769 2.341 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.315 2.165 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.955 1.127 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.302 -1.333 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.586 -0.129 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.921 -1.593 -6.195 1.00 0.00 H new ATOM 974 N TYR A 65 4.976 0.847 -3.557 1.00 0.00 N ATOM 975 CA TYR A 65 5.961 1.540 -2.735 1.00 0.00 C ATOM 976 C TYR A 65 6.632 2.663 -3.520 1.00 0.00 C ATOM 977 O TYR A 65 6.804 2.570 -4.736 1.00 0.00 O ATOM 978 CB TYR A 65 7.015 0.556 -2.227 1.00 0.00 C ATOM 979 CG TYR A 65 6.534 -0.312 -1.087 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.572 0.145 0.225 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.041 -1.590 -1.321 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.134 -0.646 1.270 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.599 -2.387 -0.282 1.00 0.00 C ATOM 984 CZ TYR A 65 5.648 -1.910 1.011 1.00 0.00 C ATOM 985 OH TYR A 65 5.210 -2.701 2.049 1.00 0.00 O ATOM 0 H TYR A 65 5.191 0.837 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 65 5.442 1.978 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.330 -0.084 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.894 1.113 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.950 1.135 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.003 -1.967 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.172 -0.276 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.217 -3.377 -0.482 1.00 0.00 H new ATOM 0 HH TYR A 65 4.898 -3.560 1.696 1.00 0.00 H new ATOM 995 N CYS A 66 7.011 3.724 -2.815 1.00 0.00 N ATOM 996 CA CYS A 66 7.665 4.866 -3.443 1.00 0.00 C ATOM 997 C CYS A 66 9.163 4.619 -3.596 1.00 0.00 C ATOM 998 O CYS A 66 9.820 4.129 -2.677 1.00 0.00 O ATOM 999 CB CYS A 66 7.427 6.133 -2.619 1.00 0.00 C ATOM 1000 SG CYS A 66 8.137 6.073 -0.942 1.00 0.00 S ATOM 0 H CYS A 66 6.876 3.817 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 66 7.234 5.000 -4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.851 6.985 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.354 6.307 -2.542 1.00 0.00 H new ATOM 1005 N LYS A 67 9.697 4.962 -4.763 1.00 0.00 N ATOM 1006 CA LYS A 67 11.117 4.780 -5.038 1.00 0.00 C ATOM 1007 C LYS A 67 11.938 4.895 -3.758 1.00 0.00 C ATOM 1008 O LYS A 67 12.710 4.003 -3.404 1.00 0.00 O ATOM 1009 CB LYS A 67 11.597 5.815 -6.058 1.00 0.00 C ATOM 1010 CG LYS A 67 11.730 5.263 -7.467 1.00 0.00 C ATOM 1011 CD LYS A 67 10.375 5.112 -8.137 1.00 0.00 C ATOM 1012 CE LYS A 67 10.429 4.117 -9.286 1.00 0.00 C ATOM 1013 NZ LYS A 67 10.623 2.722 -8.803 1.00 0.00 N ATOM 0 H LYS A 67 9.167 5.368 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 67 11.256 3.781 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.900 6.653 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.562 6.208 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.359 5.927 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.230 4.295 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.640 4.782 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.042 6.081 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.505 4.177 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.243 4.384 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.446 2.301 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.783 2.730 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.775 2.159 -9.017 1.00 0.00 H new ATOM 1027 N PRO A 68 11.769 6.018 -3.044 1.00 0.00 N ATOM 1028 CA PRO A 68 12.485 6.274 -1.790 1.00 0.00 C ATOM 1029 C PRO A 68 12.430 5.085 -0.837 1.00 0.00 C ATOM 1030 O PRO A 68 13.446 4.443 -0.571 1.00 0.00 O ATOM 1031 CB PRO A 68 11.740 7.471 -1.195 1.00 0.00 C ATOM 1032 CG PRO A 68 11.144 8.169 -2.369 1.00 0.00 C ATOM 1033 CD PRO A 68 10.866 7.123 -3.405 1.00 0.00 C ATOM 0 HA PRO A 68 13.547 6.455 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.970 7.149 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.417 8.126 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.227 8.685 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.828 8.924 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.822 6.809 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.069 7.492 -4.410 1.00 0.00 H new ATOM 1041 N HIS A 69 11.237 4.796 -0.327 1.00 0.00 N ATOM 1042 CA HIS A 69 11.049 3.682 0.596 1.00 0.00 C ATOM 1043 C HIS A 69 11.468 2.365 -0.050 1.00 0.00 C ATOM 1044 O HIS A 69 12.136 1.540 0.574 1.00 0.00 O ATOM 1045 CB HIS A 69 9.589 3.602 1.042 1.00 0.00 C ATOM 1046 CG HIS A 69 9.263 4.510 2.188 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.009 5.046 2.391 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.036 4.975 3.197 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.025 5.802 3.474 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.244 5.775 3.982 1.00 0.00 N ATOM 0 H HIS A 69 10.386 5.318 -0.537 1.00 0.00 H new ATOM 0 HA HIS A 69 11.679 3.856 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.946 3.850 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.360 2.575 1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.082 4.757 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.185 6.349 3.876 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.547 6.269 4.821 1.00 0.00 H new ATOM 1058 N PHE A 70 11.071 2.173 -1.304 1.00 0.00 N ATOM 1059 CA PHE A 70 11.404 0.955 -2.034 1.00 0.00 C ATOM 1060 C PHE A 70 12.904 0.682 -1.980 1.00 0.00 C ATOM 1061 O PHE A 70 13.342 -0.328 -1.431 1.00 0.00 O ATOM 1062 CB PHE A 70 10.946 1.067 -3.490 1.00 0.00 C ATOM 1063 CG PHE A 70 11.448 -0.047 -4.363 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.748 -0.039 -4.841 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.619 -1.103 -4.706 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.214 -1.063 -5.644 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.079 -2.130 -5.509 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.377 -2.109 -5.979 1.00 0.00 C ATOM 0 H PHE A 70 10.518 2.845 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 70 10.884 0.123 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.856 1.079 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.286 2.019 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.406 0.778 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.602 -1.124 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.230 -1.045 -6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.423 -2.948 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.737 -2.910 -6.608 1.00 0.00 H new ATOM 1078 N ASN A 71 13.686 1.590 -2.555 1.00 0.00 N ATOM 1079 CA ASN A 71 15.137 1.446 -2.574 1.00 0.00 C ATOM 1080 C ASN A 71 15.700 1.426 -1.156 1.00 0.00 C ATOM 1081 O ASN A 71 16.836 1.007 -0.935 1.00 0.00 O ATOM 1082 CB ASN A 71 15.773 2.587 -3.370 1.00 0.00 C ATOM 1083 CG ASN A 71 17.191 2.886 -2.922 1.00 0.00 C ATOM 1084 OD1 ASN A 71 18.156 2.407 -3.518 1.00 0.00 O ATOM 1085 ND2 ASN A 71 17.323 3.680 -1.867 1.00 0.00 N ATOM 0 H ASN A 71 13.339 2.433 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 71 15.377 0.498 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.776 2.329 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.164 3.485 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.252 3.916 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.495 4.055 -1.404 1.00 0.00 H new ATOM 1092 N GLN A 72 14.897 1.880 -0.199 1.00 0.00 N ATOM 1093 CA GLN A 72 15.316 1.914 1.197 1.00 0.00 C ATOM 1094 C GLN A 72 15.173 0.538 1.841 1.00 0.00 C ATOM 1095 O GLN A 72 16.144 -0.023 2.351 1.00 0.00 O ATOM 1096 CB GLN A 72 14.491 2.941 1.974 1.00 0.00 C ATOM 1097 CG GLN A 72 14.712 2.888 3.477 1.00 0.00 C ATOM 1098 CD GLN A 72 14.159 4.105 4.192 1.00 0.00 C ATOM 1099 OE1 GLN A 72 14.253 5.227 3.694 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.577 3.889 5.366 1.00 0.00 N ATOM 0 H GLN A 72 13.953 2.229 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 72 16.366 2.203 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.737 3.940 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.434 2.779 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.241 1.991 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.780 2.806 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.521 2.942 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.186 4.670 5.893 1.00 0.00 H new ATOM 1109 N LEU A 73 13.959 0.001 1.815 1.00 0.00 N ATOM 1110 CA LEU A 73 13.689 -1.309 2.396 1.00 0.00 C ATOM 1111 C LEU A 73 14.241 -2.422 1.511 1.00 0.00 C ATOM 1112 O LEU A 73 14.760 -3.423 2.005 1.00 0.00 O ATOM 1113 CB LEU A 73 12.185 -1.500 2.597 1.00 0.00 C ATOM 1114 CG LEU A 73 11.447 -0.349 3.282 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.977 -0.351 2.894 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.603 -0.440 4.793 1.00 0.00 C ATOM 0 H LEU A 73 13.145 0.453 1.398 1.00 0.00 H new ATOM 0 HA LEU A 73 14.188 -1.359 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.727 -1.669 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.029 -2.405 3.184 1.00 0.00 H new ATOM 0 HG LEU A 73 11.888 0.590 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.468 0.475 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.886 -0.236 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.522 -1.293 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.072 0.387 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.189 -1.385 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.660 -0.387 5.053 1.00 0.00 H new ATOM 1128 N PHE A 74 14.127 -2.239 0.200 1.00 0.00 N ATOM 1129 CA PHE A 74 14.616 -3.227 -0.755 1.00 0.00 C ATOM 1130 C PHE A 74 16.141 -3.223 -0.810 1.00 0.00 C ATOM 1131 O PHE A 74 16.793 -4.153 -0.335 1.00 0.00 O ATOM 1132 CB PHE A 74 14.044 -2.949 -2.147 1.00 0.00 C ATOM 1133 CG PHE A 74 12.556 -3.137 -2.232 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.738 -2.783 -1.171 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.976 -3.669 -3.372 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.368 -2.954 -1.246 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.607 -3.843 -3.453 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.802 -3.486 -2.388 1.00 0.00 C ATOM 0 H PHE A 74 13.700 -1.416 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 74 14.285 -4.211 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.290 -1.927 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.527 -3.608 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.176 -2.369 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.600 -3.951 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.741 -2.672 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.167 -4.258 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.732 -3.623 -2.449 1.00 0.00 H new ATOM 1148 N LYS A 75 16.703 -2.170 -1.393 1.00 0.00 N ATOM 1149 CA LYS A 75 18.151 -2.042 -1.510 1.00 0.00 C ATOM 1150 C LYS A 75 18.770 -1.629 -0.179 1.00 0.00 C ATOM 1151 O LYS A 75 18.147 -0.923 0.614 1.00 0.00 O ATOM 1152 CB LYS A 75 18.507 -1.018 -2.590 1.00 0.00 C ATOM 1153 CG LYS A 75 19.942 -0.526 -2.512 1.00 0.00 C ATOM 1154 CD LYS A 75 20.063 0.700 -1.622 1.00 0.00 C ATOM 1155 CE LYS A 75 21.468 1.283 -1.666 1.00 0.00 C ATOM 1156 NZ LYS A 75 22.464 0.378 -1.027 1.00 0.00 N ATOM 0 H LYS A 75 16.178 -1.392 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 75 18.555 -3.014 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 75 18.337 -1.463 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 75 17.834 -0.165 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.580 -1.321 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.301 -0.287 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.344 1.455 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 75 19.811 0.433 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.754 1.464 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.477 2.248 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.403 0.825 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.187 0.198 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.499 -0.522 -1.547 1.00 0.00 H new ATOM 1170 N SER A 76 20.000 -2.074 0.059 1.00 0.00 N ATOM 1171 CA SER A 76 20.703 -1.752 1.296 1.00 0.00 C ATOM 1172 C SER A 76 22.167 -2.170 1.213 1.00 0.00 C ATOM 1173 O SER A 76 22.513 -3.132 0.527 1.00 0.00 O ATOM 1174 CB SER A 76 20.030 -2.443 2.484 1.00 0.00 C ATOM 1175 OG SER A 76 20.736 -2.191 3.687 1.00 0.00 O ATOM 0 H SER A 76 20.530 -2.658 -0.588 1.00 0.00 H new ATOM 0 HA SER A 76 20.659 -0.672 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.003 -2.090 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.982 -3.517 2.305 1.00 0.00 H new ATOM 0 HG SER A 76 20.285 -2.642 4.431 1.00 0.00 H new ATOM 1181 N LYS A 77 23.026 -1.440 1.917 1.00 0.00 N ATOM 1182 CA LYS A 77 24.454 -1.734 1.926 1.00 0.00 C ATOM 1183 C LYS A 77 24.707 -3.191 2.299 1.00 0.00 C ATOM 1184 O LYS A 77 24.327 -3.641 3.379 1.00 0.00 O ATOM 1185 CB LYS A 77 25.179 -0.811 2.909 1.00 0.00 C ATOM 1186 CG LYS A 77 26.692 -0.865 2.789 1.00 0.00 C ATOM 1187 CD LYS A 77 27.280 -1.978 3.641 1.00 0.00 C ATOM 1188 CE LYS A 77 27.702 -1.468 5.010 1.00 0.00 C ATOM 1189 NZ LYS A 77 26.628 -1.654 6.026 1.00 0.00 N ATOM 0 H LYS A 77 22.757 -0.640 2.489 1.00 0.00 H new ATOM 0 HA LYS A 77 24.842 -1.562 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.846 0.214 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.893 -1.080 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 77 26.970 -1.018 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 77 27.116 0.091 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.545 -2.774 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 77 28.141 -2.411 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.601 -1.993 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 77 27.958 -0.411 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.342 -0.728 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.808 -2.116 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.983 -2.248 6.802 1.00 0.00 H new ATOM 1203 N GLY A 78 25.354 -3.924 1.397 1.00 0.00 N ATOM 1204 CA GLY A 78 25.649 -5.322 1.651 1.00 0.00 C ATOM 1205 C GLY A 78 26.602 -5.512 2.814 1.00 0.00 C ATOM 1206 O GLY A 78 27.727 -5.016 2.790 1.00 0.00 O ATOM 0 H GLY A 78 25.679 -3.574 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.720 -5.855 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 78 26.081 -5.767 0.755 1.00 0.00 H new ATOM 1210 N ASN A 79 26.150 -6.231 3.836 1.00 0.00 N ATOM 1211 CA ASN A 79 26.970 -6.483 5.016 1.00 0.00 C ATOM 1212 C ASN A 79 27.918 -7.654 4.778 1.00 0.00 C ATOM 1213 O ASN A 79 27.637 -8.541 3.972 1.00 0.00 O ATOM 1214 CB ASN A 79 26.082 -6.769 6.229 1.00 0.00 C ATOM 1215 CG ASN A 79 24.936 -5.784 6.351 1.00 0.00 C ATOM 1216 OD1 ASN A 79 25.150 -4.582 6.515 1.00 0.00 O ATOM 1217 ND2 ASN A 79 23.711 -6.289 6.273 1.00 0.00 N ATOM 0 H ASN A 79 25.220 -6.650 3.871 1.00 0.00 H new ATOM 0 HA ASN A 79 27.564 -5.591 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 79 25.682 -7.780 6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 79 26.687 -6.733 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 79 22.900 -5.675 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 79 23.580 -7.291 6.137 1.00 0.00 H new ATOM 1224 N TYR A 80 29.043 -7.651 5.486 1.00 0.00 N ATOM 1225 CA TYR A 80 30.034 -8.711 5.351 1.00 0.00 C ATOM 1226 C TYR A 80 30.683 -9.024 6.696 1.00 0.00 C ATOM 1227 O TYR A 80 30.773 -8.162 7.570 1.00 0.00 O ATOM 1228 CB TYR A 80 31.106 -8.311 4.336 1.00 0.00 C ATOM 1229 CG TYR A 80 31.300 -6.816 4.219 1.00 0.00 C ATOM 1230 CD1 TYR A 80 30.295 -6.002 3.711 1.00 0.00 C ATOM 1231 CD2 TYR A 80 32.489 -6.217 4.615 1.00 0.00 C ATOM 1232 CE1 TYR A 80 30.468 -4.636 3.601 1.00 0.00 C ATOM 1233 CE2 TYR A 80 32.671 -4.851 4.511 1.00 0.00 C ATOM 1234 CZ TYR A 80 31.658 -4.065 4.003 1.00 0.00 C ATOM 1235 OH TYR A 80 31.835 -2.705 3.896 1.00 0.00 O ATOM 0 H TYR A 80 29.291 -6.926 6.159 1.00 0.00 H new ATOM 0 HA TYR A 80 29.524 -9.607 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 80 32.053 -8.771 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 80 30.837 -8.712 3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 80 29.362 -6.445 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 80 33.285 -6.830 5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 80 29.676 -4.019 3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 80 33.601 -4.402 4.826 1.00 0.00 H new ATOM 0 HH TYR A 80 32.727 -2.464 4.223 1.00 0.00 H new ATOM 1245 N ASP A 81 31.134 -10.264 6.853 1.00 0.00 N ATOM 1246 CA ASP A 81 31.777 -10.693 8.090 1.00 0.00 C ATOM 1247 C ASP A 81 30.941 -10.296 9.303 1.00 0.00 C ATOM 1248 O ASP A 81 31.465 -10.137 10.404 1.00 0.00 O ATOM 1249 CB ASP A 81 33.176 -10.086 8.199 1.00 0.00 C ATOM 1250 CG ASP A 81 34.079 -10.875 9.128 1.00 0.00 C ATOM 1251 OD1 ASP A 81 33.549 -11.583 10.009 1.00 0.00 O ATOM 1252 OD2 ASP A 81 35.314 -10.785 8.972 1.00 0.00 O ATOM 0 H ASP A 81 31.066 -10.990 6.139 1.00 0.00 H new ATOM 0 HA ASP A 81 31.861 -11.780 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 81 33.628 -10.042 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 33.097 -9.060 8.559 1.00 0.00 H new ATOM 1257 N GLU A 82 29.638 -10.135 9.090 1.00 0.00 N ATOM 1258 CA GLU A 82 28.731 -9.755 10.167 1.00 0.00 C ATOM 1259 C GLU A 82 27.864 -10.936 10.591 1.00 0.00 C ATOM 1260 O GLU A 82 26.674 -10.782 10.861 1.00 0.00 O ATOM 1261 CB GLU A 82 27.843 -8.589 9.727 1.00 0.00 C ATOM 1262 CG GLU A 82 28.541 -7.240 9.776 1.00 0.00 C ATOM 1263 CD GLU A 82 28.543 -6.635 11.167 1.00 0.00 C ATOM 1264 OE1 GLU A 82 29.213 -7.199 12.057 1.00 0.00 O ATOM 1265 OE2 GLU A 82 27.875 -5.599 11.364 1.00 0.00 O ATOM 0 H GLU A 82 29.188 -10.262 8.183 1.00 0.00 H new ATOM 0 HA GLU A 82 29.332 -9.443 11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.495 -8.772 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.960 -8.555 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.569 -7.354 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.048 -6.555 9.086 1.00 0.00 H new ATOM 1272 N GLY A 83 28.471 -12.118 10.647 1.00 0.00 N ATOM 1273 CA GLY A 83 27.740 -13.310 11.038 1.00 0.00 C ATOM 1274 C GLY A 83 28.632 -14.531 11.133 1.00 0.00 C ATOM 1275 O GLY A 83 28.481 -15.350 12.040 1.00 0.00 O ATOM 0 H GLY A 83 29.455 -12.271 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.260 -13.139 12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 83 26.946 -13.499 10.316 1.00 0.00 H new ATOM 1279 N PHE A 84 29.564 -14.657 10.194 1.00 0.00 N ATOM 1280 CA PHE A 84 30.482 -15.790 10.175 1.00 0.00 C ATOM 1281 C PHE A 84 31.735 -15.488 10.993 1.00 0.00 C ATOM 1282 O PHE A 84 32.396 -14.472 10.785 1.00 0.00 O ATOM 1283 CB PHE A 84 30.870 -16.134 8.735 1.00 0.00 C ATOM 1284 CG PHE A 84 29.748 -16.740 7.941 1.00 0.00 C ATOM 1285 CD1 PHE A 84 29.187 -17.949 8.320 1.00 0.00 C ATOM 1286 CD2 PHE A 84 29.255 -16.100 6.816 1.00 0.00 C ATOM 1287 CE1 PHE A 84 28.155 -18.508 7.591 1.00 0.00 C ATOM 1288 CE2 PHE A 84 28.223 -16.655 6.082 1.00 0.00 C ATOM 1289 CZ PHE A 84 27.672 -17.860 6.471 1.00 0.00 C ATOM 0 H PHE A 84 29.703 -13.989 9.436 1.00 0.00 H new ATOM 0 HA PHE A 84 29.975 -16.645 10.622 1.00 0.00 H new ATOM 0 HB2 PHE A 84 31.212 -15.229 8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 84 31.711 -16.828 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 84 29.561 -18.460 9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 84 29.682 -15.157 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 84 27.726 -19.451 7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 84 27.848 -16.147 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 84 26.865 -18.295 5.900 1.00 0.00 H new ATOM 1299 N GLY A 85 32.054 -16.381 11.925 1.00 0.00 N ATOM 1300 CA GLY A 85 33.225 -16.193 12.761 1.00 0.00 C ATOM 1301 C GLY A 85 33.601 -17.449 13.523 1.00 0.00 C ATOM 1302 O GLY A 85 32.732 -18.215 13.937 1.00 0.00 O ATOM 0 H GLY A 85 31.523 -17.231 12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.065 -15.883 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 85 33.037 -15.385 13.468 1.00 0.00 H new ATOM 1306 N SER A 86 34.900 -17.660 13.708 1.00 0.00 N ATOM 1307 CA SER A 86 35.390 -18.835 14.420 1.00 0.00 C ATOM 1308 C SER A 86 34.994 -18.781 15.892 1.00 0.00 C ATOM 1309 O SER A 86 34.902 -17.706 16.483 1.00 0.00 O ATOM 1310 CB SER A 86 36.911 -18.938 14.292 1.00 0.00 C ATOM 1311 OG SER A 86 37.408 -20.055 15.008 1.00 0.00 O ATOM 0 H SER A 86 35.632 -17.033 13.375 1.00 0.00 H new ATOM 0 HA SER A 86 34.935 -19.718 13.971 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.186 -19.024 13.241 1.00 0.00 H new ATOM 0 HB3 SER A 86 37.373 -18.026 14.668 1.00 0.00 H new ATOM 0 HG SER A 86 38.382 -20.100 14.909 1.00 0.00 H new ATOM 1317 N GLY A 87 34.760 -19.951 16.479 1.00 0.00 N ATOM 1318 CA GLY A 87 34.377 -20.017 17.877 1.00 0.00 C ATOM 1319 C GLY A 87 34.858 -21.286 18.552 1.00 0.00 C ATOM 1320 O GLY A 87 35.638 -22.055 17.990 1.00 0.00 O ATOM 0 H GLY A 87 34.829 -20.855 16.011 1.00 0.00 H new ATOM 0 HA2 GLY A 87 34.784 -19.153 18.403 1.00 0.00 H new ATOM 0 HA3 GLY A 87 33.292 -19.956 17.956 1.00 0.00 H new ATOM 1324 N PRO A 88 34.390 -21.519 19.787 1.00 0.00 N ATOM 1325 CA PRO A 88 34.765 -22.702 20.566 1.00 0.00 C ATOM 1326 C PRO A 88 34.172 -23.985 19.993 1.00 0.00 C ATOM 1327 O PRO A 88 32.964 -24.078 19.774 1.00 0.00 O ATOM 1328 CB PRO A 88 34.181 -22.415 21.951 1.00 0.00 C ATOM 1329 CG PRO A 88 33.048 -21.481 21.698 1.00 0.00 C ATOM 1330 CD PRO A 88 33.457 -20.644 20.518 1.00 0.00 C ATOM 0 HA PRO A 88 35.843 -22.863 20.568 1.00 0.00 H new ATOM 0 HB2 PRO A 88 33.839 -23.330 22.434 1.00 0.00 H new ATOM 0 HB3 PRO A 88 34.925 -21.966 22.609 1.00 0.00 H new ATOM 0 HG2 PRO A 88 32.130 -22.029 21.488 1.00 0.00 H new ATOM 0 HG3 PRO A 88 32.854 -20.857 22.571 1.00 0.00 H new ATOM 0 HD2 PRO A 88 32.600 -20.369 19.904 1.00 0.00 H new ATOM 0 HD3 PRO A 88 33.937 -19.716 20.830 1.00 0.00 H new ATOM 1338 N SER A 89 35.029 -24.973 19.754 1.00 0.00 N ATOM 1339 CA SER A 89 34.589 -26.249 19.203 1.00 0.00 C ATOM 1340 C SER A 89 33.270 -26.687 19.833 1.00 0.00 C ATOM 1341 O SER A 89 33.133 -26.717 21.056 1.00 0.00 O ATOM 1342 CB SER A 89 35.657 -27.321 19.431 1.00 0.00 C ATOM 1343 OG SER A 89 36.811 -27.066 18.650 1.00 0.00 O ATOM 0 H SER A 89 36.031 -24.914 19.933 1.00 0.00 H new ATOM 0 HA SER A 89 34.435 -26.121 18.132 1.00 0.00 H new ATOM 0 HB2 SER A 89 35.928 -27.350 20.486 1.00 0.00 H new ATOM 0 HB3 SER A 89 35.253 -28.301 19.178 1.00 0.00 H new ATOM 0 HG SER A 89 37.479 -27.764 18.815 1.00 0.00 H new ATOM 1349 N SER A 90 32.302 -27.026 18.988 1.00 0.00 N ATOM 1350 CA SER A 90 30.992 -27.459 19.460 1.00 0.00 C ATOM 1351 C SER A 90 31.114 -28.700 20.339 1.00 0.00 C ATOM 1352 O SER A 90 32.001 -29.530 20.141 1.00 0.00 O ATOM 1353 CB SER A 90 30.069 -27.749 18.274 1.00 0.00 C ATOM 1354 OG SER A 90 28.748 -28.016 18.710 1.00 0.00 O ATOM 0 H SER A 90 32.400 -27.009 17.973 1.00 0.00 H new ATOM 0 HA SER A 90 30.564 -26.653 20.056 1.00 0.00 H new ATOM 0 HB2 SER A 90 30.066 -26.897 17.595 1.00 0.00 H new ATOM 0 HB3 SER A 90 30.450 -28.602 17.713 1.00 0.00 H new ATOM 0 HG SER A 90 28.178 -28.196 17.934 1.00 0.00 H new ATOM 1360 N GLY A 91 30.216 -28.819 21.312 1.00 0.00 N ATOM 1361 CA GLY A 91 30.240 -29.961 22.208 1.00 0.00 C ATOM 1362 C GLY A 91 29.056 -29.980 23.154 1.00 0.00 C ATOM 1363 O GLY A 91 28.678 -28.925 23.662 1.00 0.00 O ATOM 0 H GLY A 91 29.472 -28.145 21.496 1.00 0.00 H new ATOM 0 HA2 GLY A 91 30.247 -30.879 21.621 1.00 0.00 H new ATOM 0 HA3 GLY A 91 31.163 -29.946 22.787 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.582 2.781 -5.243 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.791 5.517 0.801 1.00 0.00 ZN