USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= -0.925 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0841) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 20 MET CE :methyl -114:sc= -1.35 (180deg=-3.71!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0948 K(o=-0.095,f=-2.4) USER MOD Single : A 27 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.36) USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.39 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -158:sc= 1.06 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= 0.211 (180deg=0.0817) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.93 X(o=-0.93,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= -0.901 K(o=-0.9,f=-5.1!) USER MOD Single : A 67 ASN : amide:sc= -2.36 K(o=-2.4,f=-0.81) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -125:sc= -0.884 (180deg=-1.03) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 94:sc= 0.108 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.547 -26.199 -4.722 1.00 0.00 N ATOM 2 CA GLY A 1 -23.333 -25.052 -4.307 1.00 0.00 C ATOM 3 C GLY A 1 -22.490 -23.980 -3.645 1.00 0.00 C ATOM 4 O GLY A 1 -22.793 -23.540 -2.537 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.169 -26.903 -5.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.823 -25.895 -5.404 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.085 -26.622 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.838 -24.628 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.109 -25.379 -3.615 1.00 0.00 H new ATOM 8 N SER A 2 -21.429 -23.560 -4.326 1.00 0.00 N ATOM 9 CA SER A 2 -20.536 -22.536 -3.795 1.00 0.00 C ATOM 10 C SER A 2 -20.677 -21.233 -4.576 1.00 0.00 C ATOM 11 O SER A 2 -20.686 -21.233 -5.807 1.00 0.00 O ATOM 12 CB SER A 2 -19.085 -23.020 -3.843 1.00 0.00 C ATOM 13 OG SER A 2 -18.945 -24.277 -3.205 1.00 0.00 O ATOM 0 H SER A 2 -21.166 -23.913 -5.246 1.00 0.00 H new ATOM 0 HA SER A 2 -20.814 -22.348 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.758 -23.097 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.438 -22.289 -3.358 1.00 0.00 H new ATOM 0 HG SER A 2 -18.009 -24.565 -3.251 1.00 0.00 H new ATOM 19 N SER A 3 -20.786 -20.125 -3.851 1.00 0.00 N ATOM 20 CA SER A 3 -20.930 -18.814 -4.475 1.00 0.00 C ATOM 21 C SER A 3 -19.749 -18.517 -5.393 1.00 0.00 C ATOM 22 O SER A 3 -19.923 -18.255 -6.582 1.00 0.00 O ATOM 23 CB SER A 3 -21.045 -17.727 -3.405 1.00 0.00 C ATOM 24 OG SER A 3 -21.268 -16.456 -3.991 1.00 0.00 O ATOM 0 H SER A 3 -20.777 -20.108 -2.831 1.00 0.00 H new ATOM 0 HA SER A 3 -21.840 -18.822 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.863 -17.966 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.133 -17.701 -2.809 1.00 0.00 H new ATOM 0 HG SER A 3 -21.340 -15.779 -3.286 1.00 0.00 H new ATOM 30 N GLY A 4 -18.544 -18.561 -4.831 1.00 0.00 N ATOM 31 CA GLY A 4 -17.351 -18.294 -5.612 1.00 0.00 C ATOM 32 C GLY A 4 -16.300 -17.536 -4.826 1.00 0.00 C ATOM 33 O GLY A 4 -16.493 -16.369 -4.483 1.00 0.00 O ATOM 0 H GLY A 4 -18.374 -18.777 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.930 -19.237 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.622 -17.720 -6.498 1.00 0.00 H new ATOM 37 N SER A 5 -15.185 -18.199 -4.537 1.00 0.00 N ATOM 38 CA SER A 5 -14.103 -17.583 -3.780 1.00 0.00 C ATOM 39 C SER A 5 -12.777 -17.711 -4.526 1.00 0.00 C ATOM 40 O SER A 5 -12.646 -18.517 -5.446 1.00 0.00 O ATOM 41 CB SER A 5 -13.986 -18.226 -2.397 1.00 0.00 C ATOM 42 OG SER A 5 -13.570 -19.577 -2.496 1.00 0.00 O ATOM 0 H SER A 5 -15.008 -19.164 -4.816 1.00 0.00 H new ATOM 0 HA SER A 5 -14.334 -16.524 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.273 -17.666 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.948 -18.175 -1.886 1.00 0.00 H new ATOM 0 HG SER A 5 -13.501 -19.965 -1.599 1.00 0.00 H new ATOM 48 N SER A 6 -11.797 -16.909 -4.121 1.00 0.00 N ATOM 49 CA SER A 6 -10.483 -16.929 -4.752 1.00 0.00 C ATOM 50 C SER A 6 -9.400 -17.285 -3.739 1.00 0.00 C ATOM 51 O SER A 6 -8.283 -17.648 -4.108 1.00 0.00 O ATOM 52 CB SER A 6 -10.178 -15.571 -5.386 1.00 0.00 C ATOM 53 OG SER A 6 -10.969 -15.360 -6.543 1.00 0.00 O ATOM 0 H SER A 6 -11.889 -16.237 -3.359 1.00 0.00 H new ATOM 0 HA SER A 6 -10.492 -17.691 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.367 -14.778 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.122 -15.518 -5.649 1.00 0.00 H new ATOM 0 HG SER A 6 -10.481 -14.790 -7.173 1.00 0.00 H new ATOM 59 N GLY A 7 -9.738 -17.177 -2.457 1.00 0.00 N ATOM 60 CA GLY A 7 -8.784 -17.491 -1.409 1.00 0.00 C ATOM 61 C GLY A 7 -7.633 -16.504 -1.358 1.00 0.00 C ATOM 62 O GLY A 7 -7.327 -15.845 -2.353 1.00 0.00 O ATOM 0 H GLY A 7 -10.655 -16.878 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.295 -17.498 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.391 -18.495 -1.569 1.00 0.00 H new ATOM 66 N CYS A 8 -6.996 -16.400 -0.197 1.00 0.00 N ATOM 67 CA CYS A 8 -5.874 -15.486 -0.020 1.00 0.00 C ATOM 68 C CYS A 8 -4.555 -16.251 0.051 1.00 0.00 C ATOM 69 O CYS A 8 -4.540 -17.471 0.207 1.00 0.00 O ATOM 70 CB CYS A 8 -6.064 -14.656 1.251 1.00 0.00 C ATOM 71 SG CYS A 8 -4.960 -13.211 1.366 1.00 0.00 S ATOM 0 H CYS A 8 -7.238 -16.937 0.636 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.840 -14.819 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.098 -14.315 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.900 -15.296 2.118 1.00 0.00 H new ATOM 76 N LYS A 9 -3.449 -15.523 -0.066 1.00 0.00 N ATOM 77 CA LYS A 9 -2.124 -16.130 -0.015 1.00 0.00 C ATOM 78 C LYS A 9 -1.452 -15.855 1.326 1.00 0.00 C ATOM 79 O LYS A 9 -0.676 -16.672 1.822 1.00 0.00 O ATOM 80 CB LYS A 9 -1.253 -15.598 -1.154 1.00 0.00 C ATOM 81 CG LYS A 9 -1.340 -16.426 -2.424 1.00 0.00 C ATOM 82 CD LYS A 9 -0.752 -15.686 -3.614 1.00 0.00 C ATOM 83 CE LYS A 9 -1.808 -14.865 -4.338 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.734 -15.723 -5.126 1.00 0.00 N ATOM 0 H LYS A 9 -3.444 -14.511 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.240 -17.208 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.548 -14.573 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.215 -15.565 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.810 -17.368 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.382 -16.674 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.051 -15.031 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.309 -16.402 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.379 -14.286 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.321 -14.151 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.269 -15.133 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.186 -16.434 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.395 -16.202 -4.482 1.00 0.00 H new ATOM 98 N LEU A 10 -1.755 -14.699 1.908 1.00 0.00 N ATOM 99 CA LEU A 10 -1.180 -14.317 3.193 1.00 0.00 C ATOM 100 C LEU A 10 -1.888 -15.030 4.341 1.00 0.00 C ATOM 101 O LEU A 10 -1.322 -15.921 4.975 1.00 0.00 O ATOM 102 CB LEU A 10 -1.273 -12.801 3.384 1.00 0.00 C ATOM 103 CG LEU A 10 -0.576 -11.947 2.325 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.108 -10.523 2.353 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.931 -11.959 2.537 1.00 0.00 C ATOM 0 H LEU A 10 -2.395 -14.011 1.511 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.132 -14.615 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.326 -12.522 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.852 -12.551 4.358 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.788 -12.374 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.600 -9.930 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.179 -10.531 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.926 -10.086 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.411 -11.346 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.163 -11.558 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.300 -12.982 2.465 1.00 0.00 H new ATOM 117 N CYS A 11 -3.129 -14.634 4.601 1.00 0.00 N ATOM 118 CA CYS A 11 -3.916 -15.236 5.670 1.00 0.00 C ATOM 119 C CYS A 11 -4.479 -16.585 5.238 1.00 0.00 C ATOM 120 O CYS A 11 -4.794 -17.436 6.071 1.00 0.00 O ATOM 121 CB CYS A 11 -5.057 -14.302 6.079 1.00 0.00 C ATOM 122 SG CYS A 11 -6.273 -13.991 4.759 1.00 0.00 S ATOM 0 H CYS A 11 -3.612 -13.898 4.085 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.260 -15.394 6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.572 -14.730 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.635 -13.350 6.401 1.00 0.00 H new ATOM 127 N LEU A 12 -4.603 -16.777 3.929 1.00 0.00 N ATOM 128 CA LEU A 12 -5.128 -18.024 3.384 1.00 0.00 C ATOM 129 C LEU A 12 -6.545 -18.283 3.883 1.00 0.00 C ATOM 130 O LEU A 12 -6.852 -19.366 4.379 1.00 0.00 O ATOM 131 CB LEU A 12 -4.218 -19.193 3.766 1.00 0.00 C ATOM 132 CG LEU A 12 -2.733 -19.019 3.451 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.882 -19.793 4.447 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.432 -19.467 2.029 1.00 0.00 C ATOM 0 H LEU A 12 -4.347 -16.085 3.225 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.157 -17.934 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.323 -19.374 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.575 -20.087 3.255 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.485 -17.961 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.827 -19.657 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.075 -19.424 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.133 -20.852 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.370 -19.336 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.696 -20.518 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.014 -18.869 1.328 1.00 0.00 H new ATOM 146 N GLY A 13 -7.408 -17.280 3.746 1.00 0.00 N ATOM 147 CA GLY A 13 -8.784 -17.419 4.186 1.00 0.00 C ATOM 148 C GLY A 13 -9.759 -17.485 3.027 1.00 0.00 C ATOM 149 O GLY A 13 -9.352 -17.508 1.867 1.00 0.00 O ATOM 0 H GLY A 13 -7.178 -16.374 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.880 -18.322 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.044 -16.577 4.828 1.00 0.00 H new ATOM 153 N GLU A 14 -11.050 -17.518 3.345 1.00 0.00 N ATOM 154 CA GLU A 14 -12.085 -17.585 2.319 1.00 0.00 C ATOM 155 C GLU A 14 -12.851 -16.267 2.233 1.00 0.00 C ATOM 156 O GLU A 14 -13.337 -15.752 3.240 1.00 0.00 O ATOM 157 CB GLU A 14 -13.054 -18.732 2.615 1.00 0.00 C ATOM 158 CG GLU A 14 -13.680 -19.336 1.369 1.00 0.00 C ATOM 159 CD GLU A 14 -14.969 -20.077 1.666 1.00 0.00 C ATOM 160 OE1 GLU A 14 -15.834 -19.508 2.364 1.00 0.00 O ATOM 161 OE2 GLU A 14 -15.114 -21.227 1.199 1.00 0.00 O ATOM 0 H GLU A 14 -11.403 -17.500 4.302 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.600 -17.767 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.524 -19.513 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.846 -18.368 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.878 -18.545 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.970 -20.021 0.905 1.00 0.00 H new ATOM 168 N TYR A 15 -12.954 -15.728 1.024 1.00 0.00 N ATOM 169 CA TYR A 15 -13.657 -14.469 0.805 1.00 0.00 C ATOM 170 C TYR A 15 -14.126 -14.351 -0.642 1.00 0.00 C ATOM 171 O TYR A 15 -13.521 -14.898 -1.564 1.00 0.00 O ATOM 172 CB TYR A 15 -12.751 -13.287 1.158 1.00 0.00 C ATOM 173 CG TYR A 15 -11.979 -13.479 2.443 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.784 -14.190 2.459 1.00 0.00 C ATOM 175 CD2 TYR A 15 -12.442 -12.951 3.641 1.00 0.00 C ATOM 176 CE1 TYR A 15 -10.075 -14.368 3.631 1.00 0.00 C ATOM 177 CE2 TYR A 15 -11.739 -13.123 4.818 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.556 -13.832 4.807 1.00 0.00 C ATOM 179 OH TYR A 15 -9.853 -14.007 5.977 1.00 0.00 O ATOM 0 H TYR A 15 -12.560 -16.143 0.180 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.533 -14.453 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.047 -13.123 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.359 -12.386 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.404 -14.610 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.368 -12.396 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.149 -14.924 3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.113 -12.705 5.741 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.327 -13.566 6.713 1.00 0.00 H new ATOM 189 N PRO A 16 -15.230 -13.618 -0.847 1.00 0.00 N ATOM 190 CA PRO A 16 -15.805 -13.408 -2.179 1.00 0.00 C ATOM 191 C PRO A 16 -14.931 -12.515 -3.053 1.00 0.00 C ATOM 192 O PRO A 16 -14.268 -11.603 -2.561 1.00 0.00 O ATOM 193 CB PRO A 16 -17.142 -12.724 -1.884 1.00 0.00 C ATOM 194 CG PRO A 16 -16.943 -12.056 -0.567 1.00 0.00 C ATOM 195 CD PRO A 16 -16.001 -12.936 0.206 1.00 0.00 C ATOM 0 HA PRO A 16 -15.901 -14.341 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.397 -12.002 -2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.956 -13.448 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.527 -11.057 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.891 -11.941 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.355 -12.354 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.539 -13.646 0.834 1.00 0.00 H new ATOM 203 N VAL A 17 -14.934 -12.785 -4.355 1.00 0.00 N ATOM 204 CA VAL A 17 -14.143 -12.005 -5.300 1.00 0.00 C ATOM 205 C VAL A 17 -14.535 -10.532 -5.260 1.00 0.00 C ATOM 206 O VAL A 17 -13.819 -9.676 -5.776 1.00 0.00 O ATOM 207 CB VAL A 17 -14.308 -12.530 -6.739 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.805 -13.962 -6.846 1.00 0.00 C ATOM 209 CG2 VAL A 17 -15.761 -12.433 -7.177 1.00 0.00 C ATOM 0 H VAL A 17 -15.476 -13.538 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.100 -12.109 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.709 -11.909 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.930 -14.316 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.750 -13.998 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.375 -14.599 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.860 -12.808 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.383 -13.029 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.083 -11.392 -7.141 1.00 0.00 H new ATOM 219 N GLU A 18 -15.677 -10.246 -4.642 1.00 0.00 N ATOM 220 CA GLU A 18 -16.164 -8.875 -4.535 1.00 0.00 C ATOM 221 C GLU A 18 -15.294 -8.062 -3.579 1.00 0.00 C ATOM 222 O GLU A 18 -14.895 -6.940 -3.891 1.00 0.00 O ATOM 223 CB GLU A 18 -17.616 -8.862 -4.056 1.00 0.00 C ATOM 224 CG GLU A 18 -18.571 -9.589 -4.988 1.00 0.00 C ATOM 225 CD GLU A 18 -18.798 -8.841 -6.289 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.327 -7.711 -6.239 1.00 0.00 O ATOM 227 OE2 GLU A 18 -18.446 -9.386 -7.355 1.00 0.00 O ATOM 0 H GLU A 18 -16.281 -10.944 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.111 -8.420 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.668 -9.319 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.945 -7.828 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.175 -10.580 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.527 -9.732 -4.484 1.00 0.00 H new ATOM 234 N GLN A 19 -15.006 -8.637 -2.417 1.00 0.00 N ATOM 235 CA GLN A 19 -14.186 -7.965 -1.416 1.00 0.00 C ATOM 236 C GLN A 19 -12.719 -7.946 -1.837 1.00 0.00 C ATOM 237 O GLN A 19 -12.020 -6.954 -1.638 1.00 0.00 O ATOM 238 CB GLN A 19 -14.330 -8.657 -0.059 1.00 0.00 C ATOM 239 CG GLN A 19 -15.767 -8.745 0.429 1.00 0.00 C ATOM 240 CD GLN A 19 -16.329 -7.397 0.835 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.671 -6.621 1.530 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.552 -7.109 0.402 1.00 0.00 N ATOM 0 H GLN A 19 -15.328 -9.566 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.534 -6.936 -1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.916 -9.663 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.737 -8.118 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.389 -9.171 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.817 -9.426 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.061 -7.781 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.981 -6.216 0.643 1.00 0.00 H new ATOM 251 N MET A 20 -12.263 -9.050 -2.418 1.00 0.00 N ATOM 252 CA MET A 20 -10.879 -9.159 -2.868 1.00 0.00 C ATOM 253 C MET A 20 -10.538 -8.046 -3.852 1.00 0.00 C ATOM 254 O MET A 20 -11.426 -7.380 -4.386 1.00 0.00 O ATOM 255 CB MET A 20 -10.638 -10.523 -3.519 1.00 0.00 C ATOM 256 CG MET A 20 -11.008 -11.697 -2.625 1.00 0.00 C ATOM 257 SD MET A 20 -9.776 -12.009 -1.345 1.00 0.00 S ATOM 258 CE MET A 20 -8.837 -13.336 -2.097 1.00 0.00 C ATOM 0 H MET A 20 -12.830 -9.881 -2.589 1.00 0.00 H new ATOM 0 HA MET A 20 -10.231 -9.060 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.215 -10.583 -4.442 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.587 -10.604 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.972 -11.502 -2.156 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.126 -12.592 -3.236 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.970 -14.249 -1.517 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.189 -13.499 -3.116 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.780 -13.069 -2.116 1.00 0.00 H new ATOM 268 N THR A 21 -9.245 -7.848 -4.091 1.00 0.00 N ATOM 269 CA THR A 21 -8.787 -6.814 -5.010 1.00 0.00 C ATOM 270 C THR A 21 -7.775 -7.372 -6.005 1.00 0.00 C ATOM 271 O THR A 21 -6.738 -7.911 -5.615 1.00 0.00 O ATOM 272 CB THR A 21 -8.150 -5.632 -4.254 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.101 -5.061 -3.349 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.664 -4.568 -5.226 1.00 0.00 C ATOM 0 H THR A 21 -8.496 -8.391 -3.660 1.00 0.00 H new ATOM 0 HA THR A 21 -9.665 -6.459 -5.550 1.00 0.00 H new ATOM 0 HB THR A 21 -7.294 -6.006 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.688 -4.312 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.218 -3.743 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.919 -4.999 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.506 -4.198 -5.811 1.00 0.00 H new ATOM 282 N THR A 22 -8.080 -7.238 -7.291 1.00 0.00 N ATOM 283 CA THR A 22 -7.197 -7.728 -8.341 1.00 0.00 C ATOM 284 C THR A 22 -6.228 -6.643 -8.796 1.00 0.00 C ATOM 285 O THR A 22 -6.643 -5.571 -9.236 1.00 0.00 O ATOM 286 CB THR A 22 -7.996 -8.230 -9.558 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.845 -9.317 -9.174 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.062 -8.679 -10.672 1.00 0.00 C ATOM 0 H THR A 22 -8.933 -6.794 -7.631 1.00 0.00 H new ATOM 0 HA THR A 22 -6.634 -8.559 -7.917 1.00 0.00 H new ATOM 0 HB THR A 22 -8.607 -7.406 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.350 -9.629 -9.954 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.650 -9.029 -11.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.438 -7.841 -10.984 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.428 -9.489 -10.311 1.00 0.00 H new ATOM 296 N ILE A 23 -4.934 -6.929 -8.689 1.00 0.00 N ATOM 297 CA ILE A 23 -3.906 -5.978 -9.091 1.00 0.00 C ATOM 298 C ILE A 23 -3.742 -5.953 -10.607 1.00 0.00 C ATOM 299 O ILE A 23 -3.706 -6.999 -11.254 1.00 0.00 O ATOM 300 CB ILE A 23 -2.548 -6.309 -8.445 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.707 -6.485 -6.933 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.535 -5.217 -8.752 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.481 -7.059 -6.260 1.00 0.00 C ATOM 0 H ILE A 23 -4.574 -7.812 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.233 -4.997 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.182 -7.246 -8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.939 -5.519 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.558 -7.138 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.580 -5.466 -8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.404 -5.135 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.894 -4.267 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.665 -7.156 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.261 -8.040 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.632 -6.395 -6.423 1.00 0.00 H new ATOM 315 N ALA A 24 -3.643 -4.752 -11.167 1.00 0.00 N ATOM 316 CA ALA A 24 -3.479 -4.591 -12.606 1.00 0.00 C ATOM 317 C ALA A 24 -2.003 -4.547 -12.990 1.00 0.00 C ATOM 318 O ALA A 24 -1.644 -4.035 -14.048 1.00 0.00 O ATOM 319 CB ALA A 24 -4.187 -3.330 -13.080 1.00 0.00 C ATOM 0 H ALA A 24 -3.674 -3.876 -10.645 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.929 -5.454 -13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.056 -3.222 -14.157 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.250 -3.401 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.763 -2.463 -12.574 1.00 0.00 H new ATOM 325 N GLN A 25 -1.155 -5.088 -12.121 1.00 0.00 N ATOM 326 CA GLN A 25 0.282 -5.108 -12.369 1.00 0.00 C ATOM 327 C GLN A 25 0.797 -6.540 -12.461 1.00 0.00 C ATOM 328 O GLN A 25 1.597 -6.868 -13.338 1.00 0.00 O ATOM 329 CB GLN A 25 1.023 -4.357 -11.262 1.00 0.00 C ATOM 330 CG GLN A 25 1.243 -2.884 -11.568 1.00 0.00 C ATOM 331 CD GLN A 25 2.345 -2.658 -12.582 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.732 -3.572 -13.310 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.858 -1.433 -12.637 1.00 0.00 N ATOM 0 H GLN A 25 -1.438 -5.518 -11.240 1.00 0.00 H new ATOM 0 HA GLN A 25 0.468 -4.612 -13.321 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.459 -4.446 -10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.989 -4.833 -11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.315 -2.452 -11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.490 -2.358 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.507 -0.705 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.602 -1.221 -13.301 1.00 0.00 H new ATOM 342 N CYS A 26 0.335 -7.390 -11.551 1.00 0.00 N ATOM 343 CA CYS A 26 0.750 -8.788 -11.528 1.00 0.00 C ATOM 344 C CYS A 26 -0.459 -9.713 -11.423 1.00 0.00 C ATOM 345 O CYS A 26 -0.350 -10.840 -10.942 1.00 0.00 O ATOM 346 CB CYS A 26 1.702 -9.040 -10.356 1.00 0.00 C ATOM 347 SG CYS A 26 1.036 -8.539 -8.736 1.00 0.00 S ATOM 0 H CYS A 26 -0.328 -7.135 -10.819 1.00 0.00 H new ATOM 0 HA CYS A 26 1.269 -9.002 -12.462 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.948 -10.101 -10.323 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.633 -8.503 -10.536 1.00 0.00 H new ATOM 352 N GLN A 27 -1.610 -9.225 -11.876 1.00 0.00 N ATOM 353 CA GLN A 27 -2.840 -10.009 -11.833 1.00 0.00 C ATOM 354 C GLN A 27 -2.908 -10.846 -10.560 1.00 0.00 C ATOM 355 O GLN A 27 -3.141 -12.053 -10.611 1.00 0.00 O ATOM 356 CB GLN A 27 -2.935 -10.917 -13.060 1.00 0.00 C ATOM 357 CG GLN A 27 -3.481 -10.217 -14.294 1.00 0.00 C ATOM 358 CD GLN A 27 -2.725 -8.946 -14.628 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.796 -8.956 -15.437 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.120 -7.842 -14.005 1.00 0.00 N ATOM 0 H GLN A 27 -1.717 -8.293 -12.276 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.682 -9.317 -11.836 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.945 -11.314 -13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.573 -11.768 -12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.433 -10.898 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.533 -9.978 -14.136 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.894 -7.880 -13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.649 -6.956 -14.189 1.00 0.00 H new ATOM 369 N CYS A 28 -2.701 -10.197 -9.419 1.00 0.00 N ATOM 370 CA CYS A 28 -2.738 -10.881 -8.132 1.00 0.00 C ATOM 371 C CYS A 28 -3.977 -10.477 -7.337 1.00 0.00 C ATOM 372 O CYS A 28 -4.454 -9.348 -7.444 1.00 0.00 O ATOM 373 CB CYS A 28 -1.477 -10.564 -7.327 1.00 0.00 C ATOM 374 SG CYS A 28 0.012 -11.447 -7.898 1.00 0.00 S ATOM 0 H CYS A 28 -2.506 -9.198 -9.360 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.782 -11.954 -8.319 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.290 -9.491 -7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.655 -10.812 -6.281 1.00 0.00 H new ATOM 379 N ILE A 29 -4.490 -11.408 -6.540 1.00 0.00 N ATOM 380 CA ILE A 29 -5.671 -11.150 -5.726 1.00 0.00 C ATOM 381 C ILE A 29 -5.355 -11.280 -4.241 1.00 0.00 C ATOM 382 O ILE A 29 -4.629 -12.184 -3.827 1.00 0.00 O ATOM 383 CB ILE A 29 -6.821 -12.111 -6.082 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.112 -11.675 -5.386 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.458 -13.536 -5.692 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.365 -12.182 -6.066 1.00 0.00 C ATOM 0 H ILE A 29 -4.106 -12.348 -6.441 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.984 -10.128 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.983 -12.079 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.098 -12.031 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.145 -10.586 -5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.280 -14.204 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.560 -13.842 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.274 -13.584 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.242 -11.835 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.402 -11.805 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.355 -13.272 -6.081 1.00 0.00 H new ATOM 398 N PHE A 30 -5.905 -10.372 -3.442 1.00 0.00 N ATOM 399 CA PHE A 30 -5.683 -10.386 -2.001 1.00 0.00 C ATOM 400 C PHE A 30 -6.867 -9.770 -1.262 1.00 0.00 C ATOM 401 O PHE A 30 -7.484 -8.816 -1.739 1.00 0.00 O ATOM 402 CB PHE A 30 -4.400 -9.626 -1.654 1.00 0.00 C ATOM 403 CG PHE A 30 -3.175 -10.189 -2.315 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.594 -11.358 -1.848 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.602 -9.549 -3.402 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.465 -11.878 -2.455 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.474 -10.065 -4.013 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.905 -11.230 -3.538 1.00 0.00 C ATOM 0 H PHE A 30 -6.508 -9.617 -3.768 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.580 -11.424 -1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.514 -8.582 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.259 -9.640 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.028 -11.868 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.042 -8.636 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.022 -12.790 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.038 -9.557 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.023 -11.634 -4.013 1.00 0.00 H new ATOM 418 N CYS A 31 -7.179 -10.321 -0.094 1.00 0.00 N ATOM 419 CA CYS A 31 -8.289 -9.828 0.712 1.00 0.00 C ATOM 420 C CYS A 31 -8.018 -8.409 1.204 1.00 0.00 C ATOM 421 O CYS A 31 -6.965 -8.130 1.779 1.00 0.00 O ATOM 422 CB CYS A 31 -8.532 -10.755 1.905 1.00 0.00 C ATOM 423 SG CYS A 31 -7.312 -10.577 3.245 1.00 0.00 S ATOM 0 H CYS A 31 -6.678 -11.110 0.316 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.180 -9.812 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.527 -10.561 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.525 -11.788 1.556 1.00 0.00 H new ATOM 428 N THR A 32 -8.973 -7.515 0.974 1.00 0.00 N ATOM 429 CA THR A 32 -8.838 -6.126 1.392 1.00 0.00 C ATOM 430 C THR A 32 -8.033 -6.016 2.683 1.00 0.00 C ATOM 431 O THR A 32 -6.981 -5.378 2.717 1.00 0.00 O ATOM 432 CB THR A 32 -10.214 -5.464 1.600 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.949 -5.468 0.372 1.00 0.00 O ATOM 434 CG2 THR A 32 -10.057 -4.036 2.100 1.00 0.00 C ATOM 0 H THR A 32 -9.850 -7.729 0.499 1.00 0.00 H new ATOM 0 HA THR A 32 -8.311 -5.606 0.592 1.00 0.00 H new ATOM 0 HB THR A 32 -10.759 -6.036 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.192 -6.388 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.041 -3.589 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.522 -4.040 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.495 -3.454 1.369 1.00 0.00 H new ATOM 442 N LEU A 33 -8.534 -6.643 3.741 1.00 0.00 N ATOM 443 CA LEU A 33 -7.861 -6.616 5.035 1.00 0.00 C ATOM 444 C LEU A 33 -6.346 -6.595 4.861 1.00 0.00 C ATOM 445 O LEU A 33 -5.686 -5.607 5.183 1.00 0.00 O ATOM 446 CB LEU A 33 -8.273 -7.829 5.872 1.00 0.00 C ATOM 447 CG LEU A 33 -9.655 -7.755 6.524 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.113 -9.139 6.957 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.633 -6.803 7.711 1.00 0.00 C ATOM 0 H LEU A 33 -9.403 -7.176 3.729 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.161 -5.705 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.240 -8.713 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.530 -7.974 6.656 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.364 -7.372 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.098 -9.068 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.166 -9.793 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.404 -9.549 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.624 -6.762 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.912 -7.157 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.347 -5.807 7.373 1.00 0.00 H new ATOM 461 N CYS A 34 -5.800 -7.692 4.346 1.00 0.00 N ATOM 462 CA CYS A 34 -4.363 -7.801 4.125 1.00 0.00 C ATOM 463 C CYS A 34 -3.838 -6.595 3.353 1.00 0.00 C ATOM 464 O CYS A 34 -3.151 -5.738 3.910 1.00 0.00 O ATOM 465 CB CYS A 34 -4.039 -9.088 3.365 1.00 0.00 C ATOM 466 SG CYS A 34 -4.286 -10.609 4.337 1.00 0.00 S ATOM 0 H CYS A 34 -6.332 -8.519 4.074 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.872 -7.828 5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.661 -9.136 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.003 -9.048 3.030 1.00 0.00 H new ATOM 471 N LEU A 35 -4.167 -6.534 2.067 1.00 0.00 N ATOM 472 CA LEU A 35 -3.730 -5.431 1.216 1.00 0.00 C ATOM 473 C LEU A 35 -3.747 -4.113 1.983 1.00 0.00 C ATOM 474 O LEU A 35 -2.894 -3.251 1.775 1.00 0.00 O ATOM 475 CB LEU A 35 -4.626 -5.329 -0.019 1.00 0.00 C ATOM 476 CG LEU A 35 -4.118 -6.033 -1.278 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.243 -6.207 -2.284 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.963 -5.256 -1.894 1.00 0.00 C ATOM 0 H LEU A 35 -4.735 -7.235 1.590 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.707 -5.631 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.604 -5.739 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.772 -4.274 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.755 -7.022 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.862 -6.710 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.038 -6.807 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.638 -5.229 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.614 -5.771 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.300 -4.254 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.147 -5.185 -1.175 1.00 0.00 H new ATOM 490 N LYS A 36 -4.724 -3.963 2.871 1.00 0.00 N ATOM 491 CA LYS A 36 -4.852 -2.751 3.671 1.00 0.00 C ATOM 492 C LYS A 36 -3.645 -2.575 4.588 1.00 0.00 C ATOM 493 O LYS A 36 -2.851 -1.651 4.411 1.00 0.00 O ATOM 494 CB LYS A 36 -6.134 -2.798 4.504 1.00 0.00 C ATOM 495 CG LYS A 36 -6.585 -1.436 5.006 1.00 0.00 C ATOM 496 CD LYS A 36 -7.493 -1.562 6.217 1.00 0.00 C ATOM 497 CE LYS A 36 -7.522 -0.275 7.028 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.577 0.660 6.548 1.00 0.00 N ATOM 0 H LYS A 36 -5.439 -4.667 3.055 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.898 -1.900 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.931 -3.237 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.978 -3.457 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.713 -0.835 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.110 -0.909 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.503 -1.811 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.150 -2.383 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.696 -0.511 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.549 0.214 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.564 1.524 7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.397 0.906 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.508 0.204 6.628 1.00 0.00 H new ATOM 512 N GLN A 37 -3.514 -3.467 5.565 1.00 0.00 N ATOM 513 CA GLN A 37 -2.403 -3.409 6.507 1.00 0.00 C ATOM 514 C GLN A 37 -1.066 -3.437 5.774 1.00 0.00 C ATOM 515 O GLN A 37 -0.091 -2.827 6.215 1.00 0.00 O ATOM 516 CB GLN A 37 -2.482 -4.575 7.494 1.00 0.00 C ATOM 517 CG GLN A 37 -3.358 -4.290 8.703 1.00 0.00 C ATOM 518 CD GLN A 37 -3.537 -5.503 9.593 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.848 -5.655 10.602 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.466 -6.377 9.224 1.00 0.00 N ATOM 0 H GLN A 37 -4.163 -4.238 5.724 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.475 -2.471 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.867 -5.453 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.476 -4.821 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.917 -3.480 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.335 -3.944 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.015 -6.212 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.631 -7.213 9.784 1.00 0.00 H new ATOM 529 N TYR A 38 -1.025 -4.151 4.654 1.00 0.00 N ATOM 530 CA TYR A 38 0.194 -4.261 3.862 1.00 0.00 C ATOM 531 C TYR A 38 0.679 -2.887 3.413 1.00 0.00 C ATOM 532 O TYR A 38 1.689 -2.381 3.903 1.00 0.00 O ATOM 533 CB TYR A 38 -0.045 -5.153 2.643 1.00 0.00 C ATOM 534 CG TYR A 38 1.144 -5.236 1.712 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.301 -5.907 2.088 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.110 -4.643 0.456 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.389 -5.985 1.241 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.192 -4.717 -0.399 1.00 0.00 C ATOM 539 CZ TYR A 38 3.330 -5.389 -0.002 1.00 0.00 C ATOM 540 OH TYR A 38 4.411 -5.464 -0.849 1.00 0.00 O ATOM 0 H TYR A 38 -1.822 -4.662 4.275 1.00 0.00 H new ATOM 0 HA TYR A 38 0.964 -4.710 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.301 -6.157 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.904 -4.775 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.350 -6.376 3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.222 -4.115 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.281 -6.510 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.148 -4.252 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 38 4.365 -4.736 -1.503 1.00 0.00 H new ATOM 550 N VAL A 39 -0.050 -2.285 2.479 1.00 0.00 N ATOM 551 CA VAL A 39 0.303 -0.968 1.963 1.00 0.00 C ATOM 552 C VAL A 39 0.401 0.055 3.091 1.00 0.00 C ATOM 553 O VAL A 39 1.282 0.915 3.087 1.00 0.00 O ATOM 554 CB VAL A 39 -0.725 -0.476 0.928 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.982 -1.548 -0.120 1.00 0.00 C ATOM 556 CG2 VAL A 39 -2.020 -0.068 1.614 1.00 0.00 C ATOM 0 H VAL A 39 -0.890 -2.689 2.064 1.00 0.00 H new ATOM 0 HA VAL A 39 1.275 -1.068 1.479 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.316 0.400 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.711 -1.183 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.050 -1.786 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.369 -2.445 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.735 0.277 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.436 -0.924 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.819 0.736 2.322 1.00 0.00 H new ATOM 566 N GLU A 40 -0.509 -0.046 4.054 1.00 0.00 N ATOM 567 CA GLU A 40 -0.524 0.870 5.188 1.00 0.00 C ATOM 568 C GLU A 40 0.847 0.934 5.856 1.00 0.00 C ATOM 569 O GLU A 40 1.455 2.000 5.951 1.00 0.00 O ATOM 570 CB GLU A 40 -1.581 0.439 6.208 1.00 0.00 C ATOM 571 CG GLU A 40 -2.952 1.042 5.955 1.00 0.00 C ATOM 572 CD GLU A 40 -3.932 0.753 7.076 1.00 0.00 C ATOM 573 OE1 GLU A 40 -4.158 -0.439 7.373 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.472 1.718 7.656 1.00 0.00 O ATOM 0 H GLU A 40 -1.245 -0.752 4.072 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.773 1.863 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.664 -0.648 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.247 0.722 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.853 2.121 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.350 0.650 5.019 1.00 0.00 H new ATOM 581 N LEU A 41 1.326 -0.216 6.317 1.00 0.00 N ATOM 582 CA LEU A 41 2.626 -0.293 6.976 1.00 0.00 C ATOM 583 C LEU A 41 3.715 0.323 6.106 1.00 0.00 C ATOM 584 O LEU A 41 4.624 0.989 6.607 1.00 0.00 O ATOM 585 CB LEU A 41 2.973 -1.749 7.293 1.00 0.00 C ATOM 586 CG LEU A 41 2.521 -2.264 8.661 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.245 -1.524 9.776 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.015 -2.120 8.814 1.00 0.00 C ATOM 0 H LEU A 41 0.835 -1.107 6.247 1.00 0.00 H new ATOM 0 HA LEU A 41 2.568 0.272 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.531 -2.383 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.054 -1.868 7.221 1.00 0.00 H new ATOM 0 HG LEU A 41 2.774 -3.322 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.911 -1.904 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.319 -1.679 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.024 -0.459 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.712 -2.491 9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.739 -1.070 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.514 -2.696 8.036 1.00 0.00 H new ATOM 600 N LEU A 42 3.620 0.100 4.800 1.00 0.00 N ATOM 601 CA LEU A 42 4.597 0.634 3.858 1.00 0.00 C ATOM 602 C LEU A 42 4.570 2.160 3.854 1.00 0.00 C ATOM 603 O LEU A 42 5.518 2.808 4.300 1.00 0.00 O ATOM 604 CB LEU A 42 4.321 0.105 2.450 1.00 0.00 C ATOM 605 CG LEU A 42 4.641 -1.371 2.213 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.120 -1.819 0.857 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.140 -1.615 2.319 1.00 0.00 C ATOM 0 H LEU A 42 2.875 -0.448 4.369 1.00 0.00 H new ATOM 0 HA LEU A 42 5.587 0.306 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.268 0.269 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.897 0.699 1.741 1.00 0.00 H new ATOM 0 HG LEU A 42 4.142 -1.960 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.357 -2.872 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.039 -1.681 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.589 -1.225 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.350 -2.671 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.660 -1.016 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.485 -1.333 3.314 1.00 0.00 H new ATOM 619 N ILE A 43 3.479 2.726 3.350 1.00 0.00 N ATOM 620 CA ILE A 43 3.329 4.175 3.291 1.00 0.00 C ATOM 621 C ILE A 43 3.589 4.810 4.653 1.00 0.00 C ATOM 622 O ILE A 43 3.878 6.004 4.750 1.00 0.00 O ATOM 623 CB ILE A 43 1.921 4.575 2.812 1.00 0.00 C ATOM 624 CG1 ILE A 43 1.719 4.163 1.353 1.00 0.00 C ATOM 625 CG2 ILE A 43 1.711 6.073 2.978 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.271 4.180 0.915 1.00 0.00 C ATOM 0 H ILE A 43 2.686 2.204 2.977 1.00 0.00 H new ATOM 0 HA ILE A 43 4.066 4.540 2.575 1.00 0.00 H new ATOM 0 HB ILE A 43 1.184 4.054 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.292 4.833 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.122 3.161 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.711 6.340 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.818 6.341 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.453 6.612 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.203 3.877 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.304 3.488 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.131 5.187 1.028 1.00 0.00 H new ATOM 638 N LYS A 44 3.488 4.004 5.705 1.00 0.00 N ATOM 639 CA LYS A 44 3.716 4.485 7.062 1.00 0.00 C ATOM 640 C LYS A 44 5.186 4.350 7.448 1.00 0.00 C ATOM 641 O LYS A 44 5.696 5.117 8.264 1.00 0.00 O ATOM 642 CB LYS A 44 2.845 3.710 8.054 1.00 0.00 C ATOM 643 CG LYS A 44 3.481 3.542 9.422 1.00 0.00 C ATOM 644 CD LYS A 44 3.588 4.869 10.154 1.00 0.00 C ATOM 645 CE LYS A 44 2.351 5.141 10.997 1.00 0.00 C ATOM 646 NZ LYS A 44 2.506 6.368 11.828 1.00 0.00 N ATOM 0 H LYS A 44 3.250 3.014 5.643 1.00 0.00 H new ATOM 0 HA LYS A 44 3.444 5.540 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.892 4.226 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.627 2.725 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.890 2.845 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.474 3.105 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.471 4.863 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.722 5.674 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.484 5.251 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.157 4.286 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.643 6.519 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.318 6.254 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.666 7.188 11.209 1.00 0.00 H new ATOM 660 N GLU A 45 5.861 3.370 6.854 1.00 0.00 N ATOM 661 CA GLU A 45 7.272 3.137 7.137 1.00 0.00 C ATOM 662 C GLU A 45 8.119 4.328 6.698 1.00 0.00 C ATOM 663 O GLU A 45 8.804 4.950 7.510 1.00 0.00 O ATOM 664 CB GLU A 45 7.753 1.867 6.431 1.00 0.00 C ATOM 665 CG GLU A 45 9.179 1.479 6.782 1.00 0.00 C ATOM 666 CD GLU A 45 9.363 1.213 8.264 1.00 0.00 C ATOM 667 OE1 GLU A 45 8.813 0.206 8.759 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.056 2.010 8.929 1.00 0.00 O ATOM 0 H GLU A 45 5.454 2.726 6.175 1.00 0.00 H new ATOM 0 HA GLU A 45 7.385 3.011 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.087 1.043 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.679 2.010 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.458 0.588 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.855 2.276 6.473 1.00 0.00 H new ATOM 675 N GLY A 46 8.068 4.640 5.407 1.00 0.00 N ATOM 676 CA GLY A 46 8.834 5.755 4.881 1.00 0.00 C ATOM 677 C GLY A 46 10.024 5.303 4.057 1.00 0.00 C ATOM 678 O GLY A 46 10.414 5.971 3.098 1.00 0.00 O ATOM 0 H GLY A 46 7.509 4.140 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.186 6.379 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.182 6.375 5.707 1.00 0.00 H new ATOM 682 N LEU A 47 10.603 4.167 4.431 1.00 0.00 N ATOM 683 CA LEU A 47 11.757 3.628 3.720 1.00 0.00 C ATOM 684 C LEU A 47 11.389 3.259 2.286 1.00 0.00 C ATOM 685 O LEU A 47 11.838 3.898 1.336 1.00 0.00 O ATOM 686 CB LEU A 47 12.302 2.399 4.451 1.00 0.00 C ATOM 687 CG LEU A 47 13.264 1.517 3.655 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.612 2.203 3.498 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.428 0.163 4.330 1.00 0.00 C ATOM 0 H LEU A 47 10.293 3.602 5.222 1.00 0.00 H new ATOM 0 HA LEU A 47 12.528 4.398 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.811 2.735 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.458 1.787 4.770 1.00 0.00 H new ATOM 0 HG LEU A 47 12.843 1.357 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.283 1.560 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.480 3.148 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.040 2.394 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.116 -0.452 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.826 0.303 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.460 -0.334 4.389 1.00 0.00 H new ATOM 701 N GLU A 48 10.569 2.223 2.138 1.00 0.00 N ATOM 702 CA GLU A 48 10.140 1.771 0.821 1.00 0.00 C ATOM 703 C GLU A 48 8.993 2.630 0.297 1.00 0.00 C ATOM 704 O GLU A 48 7.853 2.506 0.746 1.00 0.00 O ATOM 705 CB GLU A 48 9.708 0.304 0.876 1.00 0.00 C ATOM 706 CG GLU A 48 9.946 -0.451 -0.422 1.00 0.00 C ATOM 707 CD GLU A 48 9.611 -1.925 -0.310 1.00 0.00 C ATOM 708 OE1 GLU A 48 8.706 -2.270 0.478 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.255 -2.734 -1.011 1.00 0.00 O ATOM 0 H GLU A 48 10.189 1.681 2.914 1.00 0.00 H new ATOM 0 HA GLU A 48 10.985 1.869 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.248 -0.195 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.648 0.255 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.344 -0.005 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.990 -0.341 -0.716 1.00 0.00 H new ATOM 716 N THR A 49 9.302 3.503 -0.657 1.00 0.00 N ATOM 717 CA THR A 49 8.299 4.384 -1.242 1.00 0.00 C ATOM 718 C THR A 49 7.361 3.614 -2.163 1.00 0.00 C ATOM 719 O THR A 49 6.157 3.870 -2.193 1.00 0.00 O ATOM 720 CB THR A 49 8.954 5.531 -2.037 1.00 0.00 C ATOM 721 OG1 THR A 49 9.841 6.269 -1.189 1.00 0.00 O ATOM 722 CG2 THR A 49 7.897 6.463 -2.609 1.00 0.00 C ATOM 0 H THR A 49 10.240 3.619 -1.041 1.00 0.00 H new ATOM 0 HA THR A 49 7.727 4.805 -0.415 1.00 0.00 H new ATOM 0 HB THR A 49 9.519 5.098 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.255 6.995 -1.701 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.382 7.265 -3.166 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.241 5.903 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.310 6.890 -1.796 1.00 0.00 H new ATOM 730 N ALA A 50 7.918 2.669 -2.913 1.00 0.00 N ATOM 731 CA ALA A 50 7.129 1.860 -3.834 1.00 0.00 C ATOM 732 C ALA A 50 6.407 0.737 -3.096 1.00 0.00 C ATOM 733 O ALA A 50 6.958 0.130 -2.178 1.00 0.00 O ATOM 734 CB ALA A 50 8.017 1.288 -4.929 1.00 0.00 C ATOM 0 H ALA A 50 8.913 2.445 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 50 6.377 2.503 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.414 0.686 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.483 2.103 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.791 0.664 -4.481 1.00 0.00 H new ATOM 740 N ILE A 51 5.171 0.468 -3.504 1.00 0.00 N ATOM 741 CA ILE A 51 4.374 -0.582 -2.882 1.00 0.00 C ATOM 742 C ILE A 51 4.366 -1.845 -3.736 1.00 0.00 C ATOM 743 O ILE A 51 3.431 -2.083 -4.500 1.00 0.00 O ATOM 744 CB ILE A 51 2.923 -0.123 -2.648 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.901 1.229 -1.934 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.160 -1.166 -1.843 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.399 1.167 -0.507 1.00 0.00 C ATOM 0 H ILE A 51 4.700 0.962 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 51 4.836 -0.801 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 51 2.434 -0.010 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.513 1.936 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.882 1.616 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.136 -0.827 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.150 -2.110 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.647 -1.309 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.355 2.161 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.772 0.485 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.429 0.810 -0.496 1.00 0.00 H new ATOM 759 N SER A 52 5.412 -2.653 -3.599 1.00 0.00 N ATOM 760 CA SER A 52 5.526 -3.892 -4.360 1.00 0.00 C ATOM 761 C SER A 52 4.421 -4.870 -3.974 1.00 0.00 C ATOM 762 O SER A 52 3.592 -4.580 -3.112 1.00 0.00 O ATOM 763 CB SER A 52 6.896 -4.533 -4.128 1.00 0.00 C ATOM 764 OG SER A 52 7.313 -5.270 -5.264 1.00 0.00 O ATOM 0 H SER A 52 6.193 -2.472 -2.968 1.00 0.00 H new ATOM 0 HA SER A 52 5.420 -3.652 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.630 -3.759 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.851 -5.191 -3.260 1.00 0.00 H new ATOM 0 HG SER A 52 8.192 -5.668 -5.091 1.00 0.00 H new ATOM 770 N CYS A 53 4.417 -6.032 -4.620 1.00 0.00 N ATOM 771 CA CYS A 53 3.414 -7.055 -4.346 1.00 0.00 C ATOM 772 C CYS A 53 3.668 -7.717 -2.995 1.00 0.00 C ATOM 773 O CYS A 53 4.801 -8.043 -2.638 1.00 0.00 O ATOM 774 CB CYS A 53 3.418 -8.111 -5.453 1.00 0.00 C ATOM 775 SG CYS A 53 2.216 -9.456 -5.202 1.00 0.00 S ATOM 0 H CYS A 53 5.096 -6.288 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 53 2.437 -6.573 -4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.209 -7.624 -6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.417 -8.540 -5.527 1.00 0.00 H new ATOM 780 N PRO A 54 2.589 -7.922 -2.225 1.00 0.00 N ATOM 781 CA PRO A 54 2.669 -8.549 -0.902 1.00 0.00 C ATOM 782 C PRO A 54 3.014 -10.031 -0.982 1.00 0.00 C ATOM 783 O PRO A 54 3.052 -10.726 0.034 1.00 0.00 O ATOM 784 CB PRO A 54 1.259 -8.358 -0.334 1.00 0.00 C ATOM 785 CG PRO A 54 0.382 -8.241 -1.532 1.00 0.00 C ATOM 786 CD PRO A 54 1.208 -7.560 -2.587 1.00 0.00 C ATOM 0 HA PRO A 54 3.455 -8.108 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.966 -9.202 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.200 -7.465 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.050 -9.223 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.514 -7.663 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.950 -7.909 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.060 -6.480 -2.578 1.00 0.00 H new ATOM 794 N ASP A 55 3.266 -10.511 -2.195 1.00 0.00 N ATOM 795 CA ASP A 55 3.612 -11.911 -2.407 1.00 0.00 C ATOM 796 C ASP A 55 5.082 -12.058 -2.788 1.00 0.00 C ATOM 797 O ASP A 55 5.511 -11.582 -3.839 1.00 0.00 O ATOM 798 CB ASP A 55 2.726 -12.517 -3.498 1.00 0.00 C ATOM 799 CG ASP A 55 2.916 -14.015 -3.632 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.963 -14.703 -2.590 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.017 -14.500 -4.778 1.00 0.00 O ATOM 0 H ASP A 55 3.237 -9.950 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 55 3.444 -12.446 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.681 -12.305 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.950 -12.039 -4.451 1.00 0.00 H new ATOM 806 N ALA A 56 5.847 -12.718 -1.926 1.00 0.00 N ATOM 807 CA ALA A 56 7.269 -12.927 -2.172 1.00 0.00 C ATOM 808 C ALA A 56 7.489 -13.947 -3.285 1.00 0.00 C ATOM 809 O ALA A 56 8.611 -14.135 -3.754 1.00 0.00 O ATOM 810 CB ALA A 56 7.965 -13.378 -0.896 1.00 0.00 C ATOM 0 H ALA A 56 5.507 -13.117 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 56 7.700 -11.979 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.026 -13.530 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.846 -12.615 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.523 -14.313 -0.551 1.00 0.00 H new ATOM 816 N ALA A 57 6.411 -14.601 -3.702 1.00 0.00 N ATOM 817 CA ALA A 57 6.486 -15.601 -4.761 1.00 0.00 C ATOM 818 C ALA A 57 5.892 -15.069 -6.061 1.00 0.00 C ATOM 819 O ALA A 57 5.382 -15.834 -6.881 1.00 0.00 O ATOM 820 CB ALA A 57 5.774 -16.876 -4.335 1.00 0.00 C ATOM 0 H ALA A 57 5.475 -14.457 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 57 7.537 -15.828 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.838 -17.613 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.246 -17.274 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.727 -16.656 -4.127 1.00 0.00 H new ATOM 826 N CYS A 58 5.959 -13.755 -6.244 1.00 0.00 N ATOM 827 CA CYS A 58 5.426 -13.120 -7.443 1.00 0.00 C ATOM 828 C CYS A 58 6.504 -12.994 -8.516 1.00 0.00 C ATOM 829 O CYS A 58 7.422 -12.180 -8.417 1.00 0.00 O ATOM 830 CB CYS A 58 4.863 -11.739 -7.106 1.00 0.00 C ATOM 831 SG CYS A 58 3.863 -10.999 -8.438 1.00 0.00 S ATOM 0 H CYS A 58 6.378 -13.108 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 58 4.623 -13.747 -7.831 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.251 -11.817 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.690 -11.069 -6.871 1.00 0.00 H new ATOM 836 N PRO A 59 6.390 -13.820 -9.567 1.00 0.00 N ATOM 837 CA PRO A 59 7.345 -13.821 -10.680 1.00 0.00 C ATOM 838 C PRO A 59 7.241 -12.561 -11.533 1.00 0.00 C ATOM 839 O PRO A 59 8.123 -12.271 -12.341 1.00 0.00 O ATOM 840 CB PRO A 59 6.941 -15.052 -11.493 1.00 0.00 C ATOM 841 CG PRO A 59 5.500 -15.260 -11.177 1.00 0.00 C ATOM 842 CD PRO A 59 5.322 -14.816 -9.751 1.00 0.00 C ATOM 0 HA PRO A 59 8.378 -13.844 -10.332 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.092 -14.889 -12.560 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.536 -15.922 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.866 -14.681 -11.848 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.221 -16.307 -11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.336 -14.383 -9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.425 -15.649 -9.055 1.00 0.00 H new ATOM 850 N LYS A 60 6.158 -11.814 -11.349 1.00 0.00 N ATOM 851 CA LYS A 60 5.938 -10.584 -12.099 1.00 0.00 C ATOM 852 C LYS A 60 6.481 -9.378 -11.339 1.00 0.00 C ATOM 853 O LYS A 60 6.894 -8.388 -11.943 1.00 0.00 O ATOM 854 CB LYS A 60 4.446 -10.394 -12.380 1.00 0.00 C ATOM 855 CG LYS A 60 4.153 -9.303 -13.398 1.00 0.00 C ATOM 856 CD LYS A 60 4.117 -9.856 -14.812 1.00 0.00 C ATOM 857 CE LYS A 60 3.656 -8.804 -15.810 1.00 0.00 C ATOM 858 NZ LYS A 60 2.172 -8.701 -15.862 1.00 0.00 N ATOM 0 H LYS A 60 5.417 -12.040 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 60 6.472 -10.665 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.029 -11.335 -12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.936 -10.155 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.197 -8.834 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.914 -8.526 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.109 -10.213 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.447 -10.715 -14.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.078 -7.836 -15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.038 -9.051 -16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.886 -8.264 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.755 -9.651 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.837 -8.116 -15.071 1.00 0.00 H new ATOM 872 N GLN A 61 6.478 -9.470 -10.013 1.00 0.00 N ATOM 873 CA GLN A 61 6.972 -8.386 -9.173 1.00 0.00 C ATOM 874 C GLN A 61 6.239 -7.084 -9.477 1.00 0.00 C ATOM 875 O GLN A 61 6.858 -6.029 -9.616 1.00 0.00 O ATOM 876 CB GLN A 61 8.477 -8.198 -9.377 1.00 0.00 C ATOM 877 CG GLN A 61 9.280 -9.474 -9.182 1.00 0.00 C ATOM 878 CD GLN A 61 10.764 -9.209 -9.016 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.565 -9.525 -9.896 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.137 -8.626 -7.883 1.00 0.00 N ATOM 0 H GLN A 61 6.139 -10.283 -9.498 1.00 0.00 H new ATOM 0 HA GLN A 61 6.785 -8.653 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.654 -7.817 -10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.838 -7.441 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.908 -10.002 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.125 -10.131 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.438 -8.381 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.122 -8.423 -7.714 1.00 0.00 H new ATOM 889 N GLY A 62 4.916 -7.165 -9.581 1.00 0.00 N ATOM 890 CA GLY A 62 4.121 -5.985 -9.869 1.00 0.00 C ATOM 891 C GLY A 62 3.750 -5.216 -8.617 1.00 0.00 C ATOM 892 O GLY A 62 3.434 -5.810 -7.586 1.00 0.00 O ATOM 0 H GLY A 62 4.381 -8.026 -9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.677 -5.332 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.212 -6.282 -10.392 1.00 0.00 H new ATOM 896 N HIS A 63 3.789 -3.890 -8.706 1.00 0.00 N ATOM 897 CA HIS A 63 3.455 -3.038 -7.570 1.00 0.00 C ATOM 898 C HIS A 63 1.992 -2.610 -7.623 1.00 0.00 C ATOM 899 O HIS A 63 1.260 -2.979 -8.543 1.00 0.00 O ATOM 900 CB HIS A 63 4.358 -1.804 -7.548 1.00 0.00 C ATOM 901 CG HIS A 63 5.801 -2.112 -7.808 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.288 -2.434 -9.058 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.864 -2.145 -6.971 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.589 -2.653 -8.978 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.963 -2.484 -7.722 1.00 0.00 N ATOM 0 H HIS A 63 4.048 -3.383 -9.552 1.00 0.00 H new ATOM 0 HA HIS A 63 3.615 -3.613 -6.658 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.006 -1.093 -8.296 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.268 -1.316 -6.578 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.851 -1.943 -5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.236 -2.924 -9.799 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.914 -2.588 -7.368 1.00 0.00 H new ATOM 913 N LEU A 64 1.572 -1.833 -6.631 1.00 0.00 N ATOM 914 CA LEU A 64 0.194 -1.357 -6.564 1.00 0.00 C ATOM 915 C LEU A 64 0.059 0.013 -7.222 1.00 0.00 C ATOM 916 O LEU A 64 1.017 0.785 -7.271 1.00 0.00 O ATOM 917 CB LEU A 64 -0.271 -1.284 -5.109 1.00 0.00 C ATOM 918 CG LEU A 64 -0.955 -2.536 -4.559 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.197 -2.865 -5.371 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.010 -3.712 -4.557 1.00 0.00 C ATOM 0 H LEU A 64 2.165 -1.519 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.435 -2.064 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.593 -1.062 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.960 -0.445 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.260 -2.339 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.671 -3.759 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.896 -2.030 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.916 -3.043 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.493 -4.595 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.345 -3.910 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.871 -3.475 -3.932 1.00 0.00 H new ATOM 932 N GLN A 65 -1.135 0.308 -7.725 1.00 0.00 N ATOM 933 CA GLN A 65 -1.395 1.585 -8.378 1.00 0.00 C ATOM 934 C GLN A 65 -1.835 2.635 -7.363 1.00 0.00 C ATOM 935 O GLN A 65 -2.177 2.309 -6.228 1.00 0.00 O ATOM 936 CB GLN A 65 -2.466 1.421 -9.457 1.00 0.00 C ATOM 937 CG GLN A 65 -2.139 0.347 -10.481 1.00 0.00 C ATOM 938 CD GLN A 65 -0.970 0.724 -11.371 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.218 1.651 -11.067 1.00 0.00 O ATOM 940 NE2 GLN A 65 -0.810 0.006 -12.476 1.00 0.00 N ATOM 0 H GLN A 65 -1.938 -0.320 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.469 1.922 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.416 1.179 -8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.600 2.373 -9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.911 -0.585 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.017 0.162 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.457 -0.753 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.040 0.214 -13.112 1.00 0.00 H new ATOM 949 N GLU A 66 -1.822 3.898 -7.782 1.00 0.00 N ATOM 950 CA GLU A 66 -2.219 4.995 -6.909 1.00 0.00 C ATOM 951 C GLU A 66 -3.692 4.881 -6.526 1.00 0.00 C ATOM 952 O GLU A 66 -4.028 4.718 -5.354 1.00 0.00 O ATOM 953 CB GLU A 66 -1.961 6.340 -7.594 1.00 0.00 C ATOM 954 CG GLU A 66 -0.610 6.946 -7.255 1.00 0.00 C ATOM 955 CD GLU A 66 -0.050 7.789 -8.384 1.00 0.00 C ATOM 956 OE1 GLU A 66 -0.014 7.298 -9.532 1.00 0.00 O ATOM 957 OE2 GLU A 66 0.353 8.941 -8.119 1.00 0.00 O ATOM 0 H GLU A 66 -1.541 4.185 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.620 4.937 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.030 6.207 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.746 7.040 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.706 7.561 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.093 6.148 -7.019 1.00 0.00 H new ATOM 964 N ASN A 67 -4.565 4.969 -7.524 1.00 0.00 N ATOM 965 CA ASN A 67 -6.001 4.876 -7.292 1.00 0.00 C ATOM 966 C ASN A 67 -6.329 3.715 -6.358 1.00 0.00 C ATOM 967 O ASN A 67 -7.162 3.843 -5.462 1.00 0.00 O ATOM 968 CB ASN A 67 -6.743 4.703 -8.619 1.00 0.00 C ATOM 969 CG ASN A 67 -6.293 3.468 -9.376 1.00 0.00 C ATOM 970 OD1 ASN A 67 -5.388 3.532 -10.207 1.00 0.00 O ATOM 971 ND2 ASN A 67 -6.925 2.336 -9.090 1.00 0.00 N ATOM 0 H ASN A 67 -4.303 5.104 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.327 5.802 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.814 4.638 -8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.583 5.585 -9.239 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.666 1.473 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.670 2.330 -8.393 1.00 0.00 H new ATOM 978 N GLU A 68 -5.666 2.584 -6.575 1.00 0.00 N ATOM 979 CA GLU A 68 -5.887 1.400 -5.753 1.00 0.00 C ATOM 980 C GLU A 68 -5.555 1.684 -4.291 1.00 0.00 C ATOM 981 O GLU A 68 -6.265 1.244 -3.386 1.00 0.00 O ATOM 982 CB GLU A 68 -5.040 0.232 -6.262 1.00 0.00 C ATOM 983 CG GLU A 68 -5.595 -0.421 -7.517 1.00 0.00 C ATOM 984 CD GLU A 68 -6.636 -1.480 -7.212 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.655 -1.142 -6.574 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.431 -2.646 -7.609 1.00 0.00 O ATOM 0 H GLU A 68 -4.972 2.462 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.941 1.132 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.030 0.588 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.962 -0.519 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.037 0.344 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.777 -0.872 -8.079 1.00 0.00 H new ATOM 993 N ILE A 69 -4.472 2.420 -4.069 1.00 0.00 N ATOM 994 CA ILE A 69 -4.046 2.763 -2.718 1.00 0.00 C ATOM 995 C ILE A 69 -4.963 3.815 -2.102 1.00 0.00 C ATOM 996 O ILE A 69 -5.509 3.617 -1.016 1.00 0.00 O ATOM 997 CB ILE A 69 -2.598 3.288 -2.700 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.644 2.235 -3.270 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.190 3.669 -1.284 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.423 2.826 -3.938 1.00 0.00 C ATOM 0 H ILE A 69 -3.873 2.790 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.100 1.847 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.542 4.179 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.324 1.573 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.182 1.621 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.164 4.038 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.855 4.448 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.258 2.794 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.208 2.023 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.734 3.466 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.138 3.416 -3.214 1.00 0.00 H new ATOM 1012 N GLU A 70 -5.130 4.931 -2.804 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.982 6.013 -2.327 1.00 0.00 C ATOM 1014 C GLU A 70 -7.177 5.463 -1.553 1.00 0.00 C ATOM 1015 O GLU A 70 -7.344 5.745 -0.366 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.469 6.864 -3.501 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.251 8.096 -3.077 1.00 0.00 C ATOM 1018 CD GLU A 70 -8.262 8.533 -4.119 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -9.053 7.681 -4.573 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.262 9.729 -4.480 1.00 0.00 O ATOM 0 H GLU A 70 -4.686 5.109 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.392 6.637 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.609 7.176 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.096 6.251 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.767 7.889 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.557 8.914 -2.885 1.00 0.00 H new ATOM 1027 N CYS A 71 -8.005 4.679 -2.234 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.186 4.090 -1.612 1.00 0.00 C ATOM 1029 C CYS A 71 -8.790 3.123 -0.501 1.00 0.00 C ATOM 1030 O CYS A 71 -9.440 3.062 0.542 1.00 0.00 O ATOM 1031 CB CYS A 71 -10.031 3.364 -2.659 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.645 2.817 -2.056 1.00 0.00 S ATOM 0 H CYS A 71 -7.881 4.436 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.776 4.896 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.179 4.025 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.477 2.497 -3.020 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.285 2.216 -3.014 1.00 0.00 H new ATOM 1038 N MET A 72 -7.721 2.369 -0.734 1.00 0.00 N ATOM 1039 CA MET A 72 -7.239 1.404 0.248 1.00 0.00 C ATOM 1040 C MET A 72 -6.975 2.079 1.590 1.00 0.00 C ATOM 1041 O MET A 72 -7.660 1.813 2.576 1.00 0.00 O ATOM 1042 CB MET A 72 -5.963 0.725 -0.255 1.00 0.00 C ATOM 1043 CG MET A 72 -5.662 -0.594 0.439 1.00 0.00 C ATOM 1044 SD MET A 72 -4.392 -1.551 -0.411 1.00 0.00 S ATOM 1045 CE MET A 72 -5.285 -2.076 -1.872 1.00 0.00 C ATOM 0 H MET A 72 -7.172 2.407 -1.593 1.00 0.00 H new ATOM 0 HA MET A 72 -8.012 0.649 0.387 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.053 0.550 -1.327 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.121 1.402 -0.112 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.340 -0.397 1.461 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.576 -1.185 0.501 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.240 -3.162 -1.955 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.326 -1.761 -1.795 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.834 -1.625 -2.756 1.00 0.00 H new ATOM 1055 N VAL A 73 -5.974 2.954 1.619 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.619 3.669 2.839 1.00 0.00 C ATOM 1057 C VAL A 73 -6.441 4.945 2.988 1.00 0.00 C ATOM 1058 O VAL A 73 -7.194 5.318 2.090 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.122 4.030 2.864 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.271 2.796 2.603 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.821 5.119 1.845 1.00 0.00 C ATOM 0 H VAL A 73 -5.395 3.184 0.811 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.837 3.000 3.672 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.874 4.411 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.216 3.070 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.467 2.049 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.519 2.383 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.759 5.362 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.084 4.767 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.404 6.009 2.081 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.288 5.611 4.128 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.014 6.847 4.394 1.00 0.00 C ATOM 1073 C ALA A 74 -6.179 8.065 4.013 1.00 0.00 C ATOM 1074 O ALA A 74 -5.021 7.938 3.618 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.417 6.918 5.858 1.00 0.00 C ATOM 0 H ALA A 74 -5.668 5.315 4.882 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.915 6.850 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.958 7.846 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.058 6.070 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.524 6.889 6.483 1.00 0.00 H new ATOM 1081 N ALA A 75 -6.777 9.247 4.134 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.087 10.487 3.804 1.00 0.00 C ATOM 1083 C ALA A 75 -4.835 10.663 4.655 1.00 0.00 C ATOM 1084 O ALA A 75 -3.787 11.071 4.156 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.023 11.675 3.986 1.00 0.00 C ATOM 0 H ALA A 75 -7.736 9.371 4.458 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.779 10.436 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.495 12.596 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.886 11.562 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.358 11.719 5.022 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.951 10.354 5.943 1.00 0.00 N ATOM 1092 CA GLU A 76 -3.827 10.480 6.863 1.00 0.00 C ATOM 1093 C GLU A 76 -2.603 9.740 6.331 1.00 0.00 C ATOM 1094 O GLU A 76 -1.483 10.250 6.387 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.205 9.936 8.242 1.00 0.00 C ATOM 1096 CG GLU A 76 -4.555 8.458 8.240 1.00 0.00 C ATOM 1097 CD GLU A 76 -5.331 8.040 9.473 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.525 8.395 9.571 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -4.745 7.358 10.340 1.00 0.00 O ATOM 0 H GLU A 76 -5.812 10.015 6.372 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.581 11.538 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.375 10.103 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.055 10.501 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.142 8.229 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.638 7.872 8.176 1.00 0.00 H new ATOM 1106 N ILE A 77 -2.825 8.535 5.815 1.00 0.00 N ATOM 1107 CA ILE A 77 -1.741 7.726 5.273 1.00 0.00 C ATOM 1108 C ILE A 77 -1.390 8.158 3.853 1.00 0.00 C ATOM 1109 O ILE A 77 -0.248 8.519 3.568 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.106 6.229 5.267 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -2.296 5.723 6.698 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.029 5.426 4.553 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -1.068 5.889 7.566 1.00 0.00 C ATOM 0 H ILE A 77 -3.745 8.098 5.761 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.878 7.879 5.920 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.045 6.100 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.129 6.256 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.570 4.668 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.300 4.370 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.938 5.774 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.077 5.558 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.275 5.509 8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.237 5.333 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.805 6.945 7.626 1.00 0.00 H new ATOM 1125 N MET A 78 -2.379 8.119 2.967 1.00 0.00 N ATOM 1126 CA MET A 78 -2.176 8.509 1.576 1.00 0.00 C ATOM 1127 C MET A 78 -1.197 9.675 1.477 1.00 0.00 C ATOM 1128 O MET A 78 -0.286 9.662 0.651 1.00 0.00 O ATOM 1129 CB MET A 78 -3.509 8.891 0.930 1.00 0.00 C ATOM 1130 CG MET A 78 -3.426 9.069 -0.577 1.00 0.00 C ATOM 1131 SD MET A 78 -2.847 7.584 -1.420 1.00 0.00 S ATOM 1132 CE MET A 78 -2.354 8.263 -3.003 1.00 0.00 C ATOM 0 H MET A 78 -3.329 7.821 3.187 1.00 0.00 H new ATOM 0 HA MET A 78 -1.755 7.656 1.043 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.247 8.121 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.868 9.818 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.409 9.341 -0.962 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.755 9.897 -0.805 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.972 7.464 -3.639 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.215 8.729 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.575 9.010 -2.852 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.393 10.680 2.324 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.528 11.854 2.330 1.00 0.00 C ATOM 1144 C GLN A 79 0.939 11.447 2.427 1.00 0.00 C ATOM 1145 O GLN A 79 1.770 11.893 1.634 1.00 0.00 O ATOM 1146 CB GLN A 79 -0.891 12.776 3.495 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.436 14.213 3.298 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.128 15.179 4.240 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -1.988 15.956 3.829 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.753 15.134 5.514 1.00 0.00 N ATOM 0 H GLN A 79 -2.143 10.705 3.015 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.678 12.389 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.972 12.762 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.446 12.385 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.642 14.273 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.630 14.514 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.035 14.473 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.183 15.760 6.195 1.00 0.00 H new ATOM 1159 N ARG A 80 1.251 10.600 3.402 1.00 0.00 N ATOM 1160 CA ARG A 80 2.618 10.135 3.602 1.00 0.00 C ATOM 1161 C ARG A 80 3.178 9.524 2.321 1.00 0.00 C ATOM 1162 O ARG A 80 4.391 9.496 2.113 1.00 0.00 O ATOM 1163 CB ARG A 80 2.669 9.108 4.734 1.00 0.00 C ATOM 1164 CG ARG A 80 2.234 9.663 6.081 1.00 0.00 C ATOM 1165 CD ARG A 80 2.098 8.561 7.120 1.00 0.00 C ATOM 1166 NE ARG A 80 3.347 8.331 7.841 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.738 9.055 8.884 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.981 10.051 9.325 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.888 8.785 9.487 1.00 0.00 N ATOM 0 H ARG A 80 0.575 10.222 4.066 1.00 0.00 H new ATOM 0 HA ARG A 80 3.231 10.995 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.031 8.263 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.686 8.725 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.960 10.400 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.281 10.181 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.314 8.826 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.787 7.638 6.631 1.00 0.00 H new ATOM 0 HE ARG A 80 3.952 7.573 7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.096 10.262 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.283 10.605 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.473 8.021 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.187 9.342 10.288 1.00 0.00 H new ATOM 1183 N TYR A 81 2.287 9.035 1.466 1.00 0.00 N ATOM 1184 CA TYR A 81 2.691 8.421 0.207 1.00 0.00 C ATOM 1185 C TYR A 81 2.996 9.485 -0.845 1.00 0.00 C ATOM 1186 O TYR A 81 3.992 9.398 -1.562 1.00 0.00 O ATOM 1187 CB TYR A 81 1.596 7.484 -0.303 1.00 0.00 C ATOM 1188 CG TYR A 81 1.951 6.785 -1.597 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.047 5.935 -1.671 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.190 6.977 -2.744 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.375 5.296 -2.851 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.511 6.340 -3.927 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.604 5.501 -3.977 1.00 0.00 C ATOM 1194 OH TYR A 81 2.927 4.866 -5.153 1.00 0.00 O ATOM 0 H TYR A 81 1.279 9.052 1.622 1.00 0.00 H new ATOM 0 HA TYR A 81 3.598 7.844 0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.387 6.734 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.679 8.055 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.653 5.771 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.334 7.635 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.231 4.639 -2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.908 6.499 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 81 2.284 5.118 -5.848 1.00 0.00 H new ATOM 1204 N LYS A 82 2.131 10.490 -0.928 1.00 0.00 N ATOM 1205 CA LYS A 82 2.305 11.573 -1.888 1.00 0.00 C ATOM 1206 C LYS A 82 3.681 12.216 -1.737 1.00 0.00 C ATOM 1207 O LYS A 82 4.440 12.314 -2.702 1.00 0.00 O ATOM 1208 CB LYS A 82 1.213 12.628 -1.701 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.192 12.092 -1.910 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.628 12.221 -3.361 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.124 11.994 -3.514 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.899 13.250 -3.314 1.00 0.00 N ATOM 0 H LYS A 82 1.301 10.577 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 82 2.227 11.154 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.289 13.043 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.388 13.447 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.232 11.045 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.888 12.634 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.369 13.212 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.085 11.499 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.331 11.594 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.453 11.245 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.914 13.053 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.722 13.619 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.603 13.956 -4.018 1.00 0.00 H new ATOM 1226 N LYS A 83 3.996 12.652 -0.523 1.00 0.00 N ATOM 1227 CA LYS A 83 5.279 13.284 -0.245 1.00 0.00 C ATOM 1228 C LYS A 83 6.423 12.289 -0.413 1.00 0.00 C ATOM 1229 O LYS A 83 7.509 12.647 -0.871 1.00 0.00 O ATOM 1230 CB LYS A 83 5.293 13.857 1.174 1.00 0.00 C ATOM 1231 CG LYS A 83 5.192 12.799 2.259 1.00 0.00 C ATOM 1232 CD LYS A 83 4.812 13.407 3.599 1.00 0.00 C ATOM 1233 CE LYS A 83 5.900 14.334 4.118 1.00 0.00 C ATOM 1234 NZ LYS A 83 7.015 13.580 4.755 1.00 0.00 N ATOM 0 H LYS A 83 3.379 12.579 0.286 1.00 0.00 H new ATOM 0 HA LYS A 83 5.418 14.096 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.211 14.426 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.464 14.557 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.450 12.054 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.146 12.280 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.879 13.961 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.634 12.612 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.290 14.932 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.471 15.028 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.736 14.248 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.648 13.029 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.441 12.936 4.058 1.00 0.00 H new ATOM 1248 N LEU A 84 6.173 11.038 -0.042 1.00 0.00 N ATOM 1249 CA LEU A 84 7.181 9.990 -0.153 1.00 0.00 C ATOM 1250 C LEU A 84 7.622 9.810 -1.602 1.00 0.00 C ATOM 1251 O LEU A 84 8.802 9.601 -1.880 1.00 0.00 O ATOM 1252 CB LEU A 84 6.636 8.670 0.394 1.00 0.00 C ATOM 1253 CG LEU A 84 6.886 8.403 1.879 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.097 7.190 2.344 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.371 8.210 2.143 1.00 0.00 C ATOM 0 H LEU A 84 5.280 10.725 0.339 1.00 0.00 H new ATOM 0 HA LEU A 84 8.047 10.290 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.561 8.643 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.074 7.854 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 84 6.546 9.270 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.288 7.016 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.033 7.368 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.404 6.315 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.530 8.021 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.736 7.361 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.913 9.109 1.849 1.00 0.00 H new ATOM 1267 N GLN A 85 6.665 9.896 -2.521 1.00 0.00 N ATOM 1268 CA GLN A 85 6.956 9.743 -3.942 1.00 0.00 C ATOM 1269 C GLN A 85 7.831 10.887 -4.443 1.00 0.00 C ATOM 1270 O GLN A 85 8.601 10.724 -5.390 1.00 0.00 O ATOM 1271 CB GLN A 85 5.656 9.691 -4.747 1.00 0.00 C ATOM 1272 CG GLN A 85 4.818 8.453 -4.468 1.00 0.00 C ATOM 1273 CD GLN A 85 5.163 7.297 -5.386 1.00 0.00 C ATOM 1274 OE1 GLN A 85 5.932 6.407 -5.022 1.00 0.00 O ATOM 1275 NE2 GLN A 85 4.593 7.303 -6.585 1.00 0.00 N ATOM 0 H GLN A 85 5.683 10.071 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 85 7.498 8.807 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.064 10.579 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.895 9.726 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.964 8.146 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.762 8.700 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.962 8.060 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.786 6.550 -7.245 1.00 0.00 H new ATOM 1284 N PHE A 86 7.709 12.045 -3.803 1.00 0.00 N ATOM 1285 CA PHE A 86 8.488 13.217 -4.186 1.00 0.00 C ATOM 1286 C PHE A 86 9.929 13.094 -3.699 1.00 0.00 C ATOM 1287 O PHE A 86 10.822 13.781 -4.193 1.00 0.00 O ATOM 1288 CB PHE A 86 7.853 14.487 -3.617 1.00 0.00 C ATOM 1289 CG PHE A 86 8.739 15.695 -3.713 1.00 0.00 C ATOM 1290 CD1 PHE A 86 9.736 15.916 -2.777 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.576 16.610 -4.740 1.00 0.00 C ATOM 1292 CE1 PHE A 86 10.553 17.029 -2.863 1.00 0.00 C ATOM 1293 CE2 PHE A 86 9.389 17.724 -4.832 1.00 0.00 C ATOM 1294 CZ PHE A 86 10.379 17.933 -3.893 1.00 0.00 C ATOM 0 H PHE A 86 7.078 12.197 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 86 8.494 13.279 -5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.922 14.687 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.595 14.318 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.877 15.211 -1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.804 16.451 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.326 17.191 -2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.250 18.430 -5.637 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.017 18.802 -3.963 1.00 0.00 H new ATOM 1304 N GLU A 87 10.146 12.212 -2.728 1.00 0.00 N ATOM 1305 CA GLU A 87 11.479 12.000 -2.174 1.00 0.00 C ATOM 1306 C GLU A 87 12.386 11.308 -3.187 1.00 0.00 C ATOM 1307 O GLU A 87 13.511 11.745 -3.427 1.00 0.00 O ATOM 1308 CB GLU A 87 11.396 11.165 -0.894 1.00 0.00 C ATOM 1309 CG GLU A 87 10.810 11.920 0.289 1.00 0.00 C ATOM 1310 CD GLU A 87 11.812 12.856 0.938 1.00 0.00 C ATOM 1311 OE1 GLU A 87 12.829 12.361 1.466 1.00 0.00 O ATOM 1312 OE2 GLU A 87 11.578 14.082 0.915 1.00 0.00 O ATOM 0 H GLU A 87 9.418 11.634 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 87 11.905 12.975 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.789 10.280 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.395 10.816 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.945 12.494 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.453 11.205 1.030 1.00 0.00 H new ATOM 1319 N ARG A 88 11.887 10.227 -3.778 1.00 0.00 N ATOM 1320 CA ARG A 88 12.652 9.474 -4.762 1.00 0.00 C ATOM 1321 C ARG A 88 12.580 10.141 -6.133 1.00 0.00 C ATOM 1322 O ARG A 88 12.965 9.552 -7.143 1.00 0.00 O ATOM 1323 CB ARG A 88 12.131 8.037 -4.855 1.00 0.00 C ATOM 1324 CG ARG A 88 10.654 7.947 -5.200 1.00 0.00 C ATOM 1325 CD ARG A 88 10.436 7.879 -6.703 1.00 0.00 C ATOM 1326 NE ARG A 88 9.018 7.918 -7.053 1.00 0.00 N ATOM 1327 CZ ARG A 88 8.564 7.777 -8.294 1.00 0.00 C ATOM 1328 NH1 ARG A 88 9.410 7.588 -9.296 1.00 0.00 N ATOM 1329 NH2 ARG A 88 7.259 7.823 -8.532 1.00 0.00 N ATOM 0 H ARG A 88 10.956 9.854 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 88 13.693 9.456 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.705 7.499 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.305 7.534 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.222 7.064 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.131 8.813 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.951 8.712 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.881 6.963 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 88 8.340 8.061 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.413 7.550 -9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.058 7.480 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.605 7.967 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.910 7.715 -9.484 1.00 0.00 H new ATOM 1343 N SER A 89 12.082 11.374 -6.160 1.00 0.00 N ATOM 1344 CA SER A 89 11.955 12.120 -7.406 1.00 0.00 C ATOM 1345 C SER A 89 13.032 13.196 -7.507 1.00 0.00 C ATOM 1346 O SER A 89 13.755 13.275 -8.498 1.00 0.00 O ATOM 1347 CB SER A 89 10.569 12.759 -7.504 1.00 0.00 C ATOM 1348 OG SER A 89 9.646 11.880 -8.125 1.00 0.00 O ATOM 0 H SER A 89 11.760 11.877 -5.333 1.00 0.00 H new ATOM 0 HA SER A 89 12.084 11.422 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.214 13.020 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.632 13.687 -8.073 1.00 0.00 H new ATOM 0 HG SER A 89 9.165 11.372 -7.438 1.00 0.00 H new ATOM 1354 N GLY A 90 13.130 14.024 -6.472 1.00 0.00 N ATOM 1355 CA GLY A 90 14.121 15.086 -6.462 1.00 0.00 C ATOM 1356 C GLY A 90 13.510 16.449 -6.720 1.00 0.00 C ATOM 1357 O GLY A 90 12.347 16.570 -7.107 1.00 0.00 O ATOM 0 H GLY A 90 12.542 13.979 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.630 15.095 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.877 14.881 -7.220 1.00 0.00 H new ATOM 1361 N PRO A 91 14.305 17.508 -6.503 1.00 0.00 N ATOM 1362 CA PRO A 91 13.858 18.889 -6.707 1.00 0.00 C ATOM 1363 C PRO A 91 13.654 19.220 -8.182 1.00 0.00 C ATOM 1364 O PRO A 91 14.287 18.627 -9.054 1.00 0.00 O ATOM 1365 CB PRO A 91 15.001 19.722 -6.125 1.00 0.00 C ATOM 1366 CG PRO A 91 16.200 18.845 -6.228 1.00 0.00 C ATOM 1367 CD PRO A 91 15.702 17.438 -6.042 1.00 0.00 C ATOM 0 HA PRO A 91 12.893 19.079 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.139 20.648 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.801 20.000 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.687 18.962 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 91 16.938 19.102 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.283 16.725 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.766 17.123 -5.000 1.00 0.00 H new ATOM 1375 N SER A 92 12.766 20.173 -8.452 1.00 0.00 N ATOM 1376 CA SER A 92 12.477 20.580 -9.822 1.00 0.00 C ATOM 1377 C SER A 92 12.080 22.052 -9.878 1.00 0.00 C ATOM 1378 O SER A 92 11.962 22.714 -8.847 1.00 0.00 O ATOM 1379 CB SER A 92 11.360 19.716 -10.409 1.00 0.00 C ATOM 1380 OG SER A 92 11.773 18.367 -10.541 1.00 0.00 O ATOM 0 H SER A 92 12.236 20.676 -7.741 1.00 0.00 H new ATOM 0 HA SER A 92 13.381 20.442 -10.414 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.480 19.769 -9.768 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.068 20.107 -11.384 1.00 0.00 H new ATOM 0 HG SER A 92 11.040 17.836 -10.917 1.00 0.00 H new ATOM 1386 N SER A 93 11.875 22.558 -11.090 1.00 0.00 N ATOM 1387 CA SER A 93 11.495 23.953 -11.282 1.00 0.00 C ATOM 1388 C SER A 93 10.286 24.310 -10.423 1.00 0.00 C ATOM 1389 O SER A 93 9.143 24.083 -10.815 1.00 0.00 O ATOM 1390 CB SER A 93 11.184 24.220 -12.756 1.00 0.00 C ATOM 1391 OG SER A 93 10.699 25.538 -12.944 1.00 0.00 O ATOM 0 H SER A 93 11.966 22.023 -11.954 1.00 0.00 H new ATOM 0 HA SER A 93 12.334 24.578 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.084 24.071 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.444 23.503 -13.111 1.00 0.00 H new ATOM 0 HG SER A 93 10.509 25.684 -13.894 1.00 0.00 H new ATOM 1397 N GLY A 94 10.549 24.871 -9.246 1.00 0.00 N ATOM 1398 CA GLY A 94 9.474 25.250 -8.348 1.00 0.00 C ATOM 1399 C GLY A 94 9.952 26.131 -7.211 1.00 0.00 C ATOM 1400 O GLY A 94 10.252 25.611 -6.137 1.00 0.00 O ATOM 0 H GLY A 94 11.487 25.070 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.703 25.775 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.013 24.351 -7.938 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.664 -12.202 3.342 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 1.932 -10.263 -7.363 1.00 0.00 ZN