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= 0.0211 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.105 K(o=0.13,f=-1.3!) 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 7:sc= 0.604 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -136:sc= 1.32 USER MOD Single : A 19 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.69) USER MOD Single : A 20 MET CE :methyl -116:sc= -0.0152 (180deg=-2.45!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 25 GLN : amide:sc= -2.68 K(o=-2.7,f=-5.2!) USER MOD Single : A 27 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0062 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 -174:sc= 0.995 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= 0.0023 USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= 0.973 (180deg=-0.312) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.035) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 67 ASN : amide:sc= -3.31 K(o=-3.3,f=-8.3!) USER MOD Single : A 71 CYS SG : rot -32:sc= 0.733 USER MOD Single : A 72 MET CE :methyl 175:sc= -0.333 (180deg=-0.445) USER MOD Single : A 78 MET CE :methyl -154:sc= -0.199 (180deg=-1.65) USER MOD Single : A 79 GLN : amide:sc= -0.0784 K(o=-0.078,f=-0.86) 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 180:sc= 0 USER MOD Single : A 92 SER OG : rot 33:sc= 1.04 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.198 -25.600 -3.507 1.00 0.00 N ATOM 2 CA GLY A 1 -17.370 -26.102 -4.201 1.00 0.00 C ATOM 3 C GLY A 1 -18.559 -25.169 -4.081 1.00 0.00 C ATOM 4 O GLY A 1 -18.915 -24.745 -2.981 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.413 -26.273 -3.619 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.925 -24.680 -3.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.415 -25.487 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.130 -26.247 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.637 -27.079 -3.798 1.00 0.00 H new ATOM 8 N SER A 2 -19.174 -24.848 -5.214 1.00 0.00 N ATOM 9 CA SER A 2 -20.327 -23.956 -5.232 1.00 0.00 C ATOM 10 C SER A 2 -20.165 -22.838 -4.206 1.00 0.00 C ATOM 11 O SER A 2 -21.114 -22.477 -3.511 1.00 0.00 O ATOM 12 CB SER A 2 -21.610 -24.741 -4.950 1.00 0.00 C ATOM 13 OG SER A 2 -22.172 -25.248 -6.149 1.00 0.00 O ATOM 0 H SER A 2 -18.893 -25.192 -6.132 1.00 0.00 H new ATOM 0 HA SER A 2 -20.394 -23.508 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.394 -25.564 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.333 -24.096 -4.450 1.00 0.00 H new ATOM 0 HG SER A 2 -22.990 -25.747 -5.942 1.00 0.00 H new ATOM 19 N SER A 3 -18.955 -22.296 -4.119 1.00 0.00 N ATOM 20 CA SER A 3 -18.666 -21.221 -3.176 1.00 0.00 C ATOM 21 C SER A 3 -17.671 -20.230 -3.770 1.00 0.00 C ATOM 22 O SER A 3 -16.604 -20.613 -4.248 1.00 0.00 O ATOM 23 CB SER A 3 -18.111 -21.796 -1.870 1.00 0.00 C ATOM 24 OG SER A 3 -18.047 -20.802 -0.862 1.00 0.00 O ATOM 0 H SER A 3 -18.159 -22.583 -4.689 1.00 0.00 H new ATOM 0 HA SER A 3 -19.597 -20.694 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.742 -22.619 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.117 -22.207 -2.044 1.00 0.00 H new ATOM 0 HG SER A 3 -17.691 -21.195 -0.038 1.00 0.00 H new ATOM 30 N GLY A 4 -18.030 -18.949 -3.738 1.00 0.00 N ATOM 31 CA GLY A 4 -17.159 -17.921 -4.276 1.00 0.00 C ATOM 32 C GLY A 4 -16.000 -17.601 -3.354 1.00 0.00 C ATOM 33 O GLY A 4 -16.156 -16.866 -2.380 1.00 0.00 O ATOM 0 H GLY A 4 -18.908 -18.606 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.772 -18.246 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.738 -17.015 -4.454 1.00 0.00 H new ATOM 37 N SER A 5 -14.832 -18.158 -3.661 1.00 0.00 N ATOM 38 CA SER A 5 -13.642 -17.933 -2.849 1.00 0.00 C ATOM 39 C SER A 5 -12.375 -18.153 -3.669 1.00 0.00 C ATOM 40 O SER A 5 -12.121 -19.255 -4.156 1.00 0.00 O ATOM 41 CB SER A 5 -13.644 -18.862 -1.634 1.00 0.00 C ATOM 42 OG SER A 5 -14.670 -18.510 -0.723 1.00 0.00 O ATOM 0 H SER A 5 -14.685 -18.768 -4.465 1.00 0.00 H new ATOM 0 HA SER A 5 -13.657 -16.898 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.782 -19.893 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.677 -18.813 -1.134 1.00 0.00 H new ATOM 0 HG SER A 5 -15.232 -17.811 -1.118 1.00 0.00 H new ATOM 48 N SER A 6 -11.582 -17.096 -3.819 1.00 0.00 N ATOM 49 CA SER A 6 -10.343 -17.172 -4.584 1.00 0.00 C ATOM 50 C SER A 6 -9.160 -17.477 -3.670 1.00 0.00 C ATOM 51 O SER A 6 -8.104 -17.914 -4.128 1.00 0.00 O ATOM 52 CB SER A 6 -10.100 -15.860 -5.331 1.00 0.00 C ATOM 53 OG SER A 6 -9.133 -16.026 -6.353 1.00 0.00 O ATOM 0 H SER A 6 -11.776 -16.177 -3.421 1.00 0.00 H new ATOM 0 HA SER A 6 -10.439 -17.981 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.035 -15.507 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.765 -15.096 -4.630 1.00 0.00 H new ATOM 0 HG SER A 6 -8.997 -15.173 -6.816 1.00 0.00 H new ATOM 59 N GLY A 7 -9.344 -17.243 -2.375 1.00 0.00 N ATOM 60 CA GLY A 7 -8.283 -17.499 -1.417 1.00 0.00 C ATOM 61 C GLY A 7 -7.252 -16.387 -1.383 1.00 0.00 C ATOM 62 O GLY A 7 -7.114 -15.629 -2.343 1.00 0.00 O ATOM 0 H GLY A 7 -10.208 -16.881 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.716 -17.620 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.791 -18.439 -1.667 1.00 0.00 H new ATOM 66 N CYS A 8 -6.527 -16.289 -0.273 1.00 0.00 N ATOM 67 CA CYS A 8 -5.505 -15.261 -0.117 1.00 0.00 C ATOM 68 C CYS A 8 -4.111 -15.880 -0.087 1.00 0.00 C ATOM 69 O CYS A 8 -3.961 -17.093 0.062 1.00 0.00 O ATOM 70 CB CYS A 8 -5.748 -14.462 1.165 1.00 0.00 C ATOM 71 SG CYS A 8 -4.783 -12.922 1.277 1.00 0.00 S ATOM 0 H CYS A 8 -6.629 -16.909 0.531 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.567 -14.589 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.808 -14.219 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.509 -15.091 2.023 1.00 0.00 H new ATOM 76 N LYS A 9 -3.093 -15.038 -0.229 1.00 0.00 N ATOM 77 CA LYS A 9 -1.711 -15.501 -0.217 1.00 0.00 C ATOM 78 C LYS A 9 -1.077 -15.285 1.154 1.00 0.00 C ATOM 79 O LYS A 9 -0.132 -15.982 1.529 1.00 0.00 O ATOM 80 CB LYS A 9 -0.897 -14.769 -1.288 1.00 0.00 C ATOM 81 CG LYS A 9 -1.452 -14.934 -2.692 1.00 0.00 C ATOM 82 CD LYS A 9 -1.031 -16.260 -3.305 1.00 0.00 C ATOM 83 CE LYS A 9 -1.577 -16.420 -4.716 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.923 -17.056 -4.720 1.00 0.00 N ATOM 0 H LYS A 9 -3.199 -14.031 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.710 -16.569 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.861 -13.708 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.129 -15.136 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.540 -14.874 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.104 -14.114 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.057 -16.324 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.387 -17.080 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.635 -15.443 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.888 -17.024 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.261 -17.148 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.863 -17.999 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.587 -16.467 -4.178 1.00 0.00 H new ATOM 98 N LEU A 10 -1.602 -14.319 1.897 1.00 0.00 N ATOM 99 CA LEU A 10 -1.088 -14.014 3.228 1.00 0.00 C ATOM 100 C LEU A 10 -1.861 -14.778 4.300 1.00 0.00 C ATOM 101 O LEU A 10 -1.364 -15.756 4.859 1.00 0.00 O ATOM 102 CB LEU A 10 -1.175 -12.510 3.497 1.00 0.00 C ATOM 103 CG LEU A 10 -0.398 -11.610 2.535 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.887 -10.174 2.635 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.095 -11.688 2.820 1.00 0.00 C ATOM 0 H LEU A 10 -2.383 -13.733 1.602 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.044 -14.326 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.224 -12.216 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.817 -12.321 4.509 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.572 -11.961 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.323 -9.548 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.946 -10.132 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.743 -9.811 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.632 -11.041 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.288 -11.363 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.436 -12.716 2.696 1.00 0.00 H new ATOM 117 N CYS A 11 -3.080 -14.328 4.577 1.00 0.00 N ATOM 118 CA CYS A 11 -3.922 -14.969 5.580 1.00 0.00 C ATOM 119 C CYS A 11 -4.549 -16.245 5.026 1.00 0.00 C ATOM 120 O CYS A 11 -5.363 -16.889 5.690 1.00 0.00 O ATOM 121 CB CYS A 11 -5.018 -14.009 6.044 1.00 0.00 C ATOM 122 SG CYS A 11 -6.239 -13.596 4.757 1.00 0.00 S ATOM 0 H CYS A 11 -3.507 -13.522 4.121 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.295 -15.232 6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.538 -14.451 6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.554 -13.089 6.398 1.00 0.00 H new ATOM 127 N LEU A 12 -4.165 -16.606 3.806 1.00 0.00 N ATOM 128 CA LEU A 12 -4.689 -17.805 3.162 1.00 0.00 C ATOM 129 C LEU A 12 -6.134 -18.059 3.577 1.00 0.00 C ATOM 130 O LEU A 12 -6.510 -19.186 3.898 1.00 0.00 O ATOM 131 CB LEU A 12 -3.824 -19.016 3.516 1.00 0.00 C ATOM 132 CG LEU A 12 -2.549 -19.193 2.692 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.884 -19.368 1.219 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.615 -18.008 2.892 1.00 0.00 C ATOM 0 H LEU A 12 -3.492 -16.085 3.243 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.663 -17.650 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.546 -18.944 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.431 -19.915 3.407 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.040 -20.093 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.963 -19.493 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.512 -20.250 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.417 -18.488 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.713 -18.152 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.116 -17.093 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.347 -17.930 3.946 1.00 0.00 H new ATOM 146 N GLY A 13 -6.942 -17.004 3.567 1.00 0.00 N ATOM 147 CA GLY A 13 -8.338 -17.133 3.943 1.00 0.00 C ATOM 148 C GLY A 13 -9.261 -17.166 2.741 1.00 0.00 C ATOM 149 O GLY A 13 -9.010 -16.497 1.739 1.00 0.00 O ATOM 0 H GLY A 13 -6.655 -16.061 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.472 -18.045 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.616 -16.299 4.588 1.00 0.00 H new ATOM 153 N GLU A 14 -10.331 -17.948 2.840 1.00 0.00 N ATOM 154 CA GLU A 14 -11.293 -18.067 1.750 1.00 0.00 C ATOM 155 C GLU A 14 -12.335 -16.953 1.819 1.00 0.00 C ATOM 156 O GLU A 14 -13.270 -17.012 2.617 1.00 0.00 O ATOM 157 CB GLU A 14 -11.986 -19.431 1.798 1.00 0.00 C ATOM 158 CG GLU A 14 -11.158 -20.555 1.197 1.00 0.00 C ATOM 159 CD GLU A 14 -10.260 -21.228 2.217 1.00 0.00 C ATOM 160 OE1 GLU A 14 -10.788 -21.736 3.228 1.00 0.00 O ATOM 161 OE2 GLU A 14 -9.030 -21.246 2.005 1.00 0.00 O ATOM 0 H GLU A 14 -10.554 -18.508 3.663 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.750 -17.976 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.217 -19.676 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.935 -19.366 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.825 -21.298 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.547 -20.158 0.387 1.00 0.00 H new ATOM 168 N TYR A 15 -12.163 -15.940 0.978 1.00 0.00 N ATOM 169 CA TYR A 15 -13.085 -14.811 0.944 1.00 0.00 C ATOM 170 C TYR A 15 -13.666 -14.623 -0.454 1.00 0.00 C ATOM 171 O TYR A 15 -13.039 -14.945 -1.463 1.00 0.00 O ATOM 172 CB TYR A 15 -12.375 -13.532 1.391 1.00 0.00 C ATOM 173 CG TYR A 15 -11.480 -13.725 2.593 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.973 -13.569 3.883 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.141 -14.063 2.440 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.157 -13.744 4.985 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.319 -14.242 3.536 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.832 -14.079 4.806 1.00 0.00 C ATOM 179 OH TYR A 15 -9.018 -14.256 5.901 1.00 0.00 O ATOM 0 H TYR A 15 -11.394 -15.877 0.311 1.00 0.00 H new ATOM 0 HA TYR A 15 -13.904 -15.023 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.779 -13.149 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.123 -12.774 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.011 -13.307 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.736 -14.188 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.556 -13.619 5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.281 -14.508 3.399 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.160 -13.807 5.747 1.00 0.00 H new ATOM 189 N PRO A 16 -14.894 -14.087 -0.517 1.00 0.00 N ATOM 190 CA PRO A 16 -15.587 -13.841 -1.785 1.00 0.00 C ATOM 191 C PRO A 16 -14.948 -12.713 -2.586 1.00 0.00 C ATOM 192 O PRO A 16 -14.564 -11.683 -2.031 1.00 0.00 O ATOM 193 CB PRO A 16 -17.001 -13.451 -1.347 1.00 0.00 C ATOM 194 CG PRO A 16 -16.834 -12.907 0.030 1.00 0.00 C ATOM 195 CD PRO A 16 -15.701 -13.678 0.646 1.00 0.00 C ATOM 0 HA PRO A 16 -15.554 -14.710 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.432 -12.707 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.669 -14.312 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.611 -11.840 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.749 -13.027 0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.126 -13.063 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.060 -14.540 1.209 1.00 0.00 H new ATOM 203 N VAL A 17 -14.835 -12.913 -3.896 1.00 0.00 N ATOM 204 CA VAL A 17 -14.243 -11.911 -4.774 1.00 0.00 C ATOM 205 C VAL A 17 -14.713 -10.508 -4.403 1.00 0.00 C ATOM 206 O VAL A 17 -13.937 -9.554 -4.439 1.00 0.00 O ATOM 207 CB VAL A 17 -14.589 -12.184 -6.250 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.989 -13.506 -6.704 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.096 -12.174 -6.453 1.00 0.00 C ATOM 0 H VAL A 17 -15.146 -13.760 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.163 -11.975 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.158 -11.390 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.244 -13.682 -7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.905 -13.470 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.387 -14.316 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.323 -12.368 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.552 -12.946 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.495 -11.200 -6.170 1.00 0.00 H new ATOM 219 N GLU A 18 -15.989 -10.392 -4.048 1.00 0.00 N ATOM 220 CA GLU A 18 -16.562 -9.106 -3.671 1.00 0.00 C ATOM 221 C GLU A 18 -15.648 -8.367 -2.699 1.00 0.00 C ATOM 222 O GLU A 18 -15.434 -7.162 -2.826 1.00 0.00 O ATOM 223 CB GLU A 18 -17.943 -9.303 -3.042 1.00 0.00 C ATOM 224 CG GLU A 18 -18.884 -8.130 -3.261 1.00 0.00 C ATOM 225 CD GLU A 18 -20.235 -8.336 -2.606 1.00 0.00 C ATOM 226 OE1 GLU A 18 -20.286 -8.401 -1.360 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.242 -8.434 -3.338 1.00 0.00 O ATOM 0 H GLU A 18 -16.645 -11.173 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.665 -8.504 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.396 -10.204 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.825 -9.468 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.427 -7.223 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.023 -7.975 -4.331 1.00 0.00 H new ATOM 234 N GLN A 19 -15.112 -9.099 -1.727 1.00 0.00 N ATOM 235 CA GLN A 19 -14.222 -8.512 -0.732 1.00 0.00 C ATOM 236 C GLN A 19 -12.762 -8.764 -1.092 1.00 0.00 C ATOM 237 O GLN A 19 -11.940 -9.056 -0.223 1.00 0.00 O ATOM 238 CB GLN A 19 -14.524 -9.086 0.653 1.00 0.00 C ATOM 239 CG GLN A 19 -15.880 -8.669 1.202 1.00 0.00 C ATOM 240 CD GLN A 19 -16.474 -9.705 2.136 1.00 0.00 C ATOM 241 OE1 GLN A 19 -17.444 -10.382 1.795 1.00 0.00 O ATOM 242 NE2 GLN A 19 -15.894 -9.833 3.324 1.00 0.00 N ATOM 0 H GLN A 19 -15.278 -10.098 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.393 -7.436 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.480 -10.174 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.746 -8.767 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.778 -7.723 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.566 -8.497 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.092 -9.251 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.251 -10.513 3.995 1.00 0.00 H new ATOM 251 N MET A 20 -12.446 -8.650 -2.378 1.00 0.00 N ATOM 252 CA MET A 20 -11.083 -8.865 -2.852 1.00 0.00 C ATOM 253 C MET A 20 -10.688 -7.800 -3.870 1.00 0.00 C ATOM 254 O MET A 20 -11.545 -7.183 -4.504 1.00 0.00 O ATOM 255 CB MET A 20 -10.951 -10.256 -3.474 1.00 0.00 C ATOM 256 CG MET A 20 -11.318 -11.385 -2.524 1.00 0.00 C ATOM 257 SD MET A 20 -10.031 -11.713 -1.304 1.00 0.00 S ATOM 258 CE MET A 20 -8.977 -12.836 -2.219 1.00 0.00 C ATOM 0 H MET A 20 -13.114 -8.410 -3.110 1.00 0.00 H new ATOM 0 HA MET A 20 -10.411 -8.792 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.589 -10.313 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.925 -10.397 -3.814 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.246 -11.134 -2.009 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.507 -12.291 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.973 -13.810 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.354 -12.942 -3.236 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.962 -12.440 -2.248 1.00 0.00 H new ATOM 268 N THR A 21 -9.385 -7.588 -4.022 1.00 0.00 N ATOM 269 CA THR A 21 -8.876 -6.597 -4.962 1.00 0.00 C ATOM 270 C THR A 21 -7.839 -7.207 -5.897 1.00 0.00 C ATOM 271 O THR A 21 -6.850 -7.789 -5.450 1.00 0.00 O ATOM 272 CB THR A 21 -8.247 -5.398 -4.228 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.182 -4.849 -3.293 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.818 -4.323 -5.215 1.00 0.00 C ATOM 0 H THR A 21 -8.662 -8.090 -3.506 1.00 0.00 H new ATOM 0 HA THR A 21 -9.728 -6.250 -5.547 1.00 0.00 H new ATOM 0 HB THR A 21 -7.365 -5.751 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.773 -4.088 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.377 -3.487 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.083 -4.736 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.686 -3.975 -5.774 1.00 0.00 H new ATOM 282 N THR A 22 -8.069 -7.071 -7.199 1.00 0.00 N ATOM 283 CA THR A 22 -7.155 -7.610 -8.197 1.00 0.00 C ATOM 284 C THR A 22 -6.270 -6.515 -8.781 1.00 0.00 C ATOM 285 O THR A 22 -6.753 -5.444 -9.150 1.00 0.00 O ATOM 286 CB THR A 22 -7.917 -8.302 -9.343 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.764 -9.330 -8.817 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.950 -8.902 -10.353 1.00 0.00 C ATOM 0 H THR A 22 -8.881 -6.592 -7.587 1.00 0.00 H new ATOM 0 HA THR A 22 -6.532 -8.346 -7.688 1.00 0.00 H new ATOM 0 HB THR A 22 -8.526 -7.553 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.246 -9.764 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.512 -9.385 -11.152 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.327 -8.113 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.318 -9.639 -9.858 1.00 0.00 H new ATOM 296 N ILE A 23 -4.972 -6.788 -8.861 1.00 0.00 N ATOM 297 CA ILE A 23 -4.021 -5.825 -9.402 1.00 0.00 C ATOM 298 C ILE A 23 -3.850 -6.006 -10.906 1.00 0.00 C ATOM 299 O ILE A 23 -3.649 -7.120 -11.390 1.00 0.00 O ATOM 300 CB ILE A 23 -2.645 -5.951 -8.722 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.812 -6.131 -7.212 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.792 -4.727 -9.023 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.545 -6.565 -6.511 1.00 0.00 C ATOM 0 H ILE A 23 -4.555 -7.668 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.428 -4.834 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.139 -6.830 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.154 -5.191 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.591 -6.870 -7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.822 -4.830 -8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.649 -4.639 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.293 -3.834 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.738 -6.673 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.213 -7.520 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.769 -5.816 -6.665 1.00 0.00 H new ATOM 315 N ALA A 24 -3.931 -4.902 -11.643 1.00 0.00 N ATOM 316 CA ALA A 24 -3.781 -4.938 -13.092 1.00 0.00 C ATOM 317 C ALA A 24 -2.313 -4.837 -13.496 1.00 0.00 C ATOM 318 O ALA A 24 -1.993 -4.389 -14.596 1.00 0.00 O ATOM 319 CB ALA A 24 -4.585 -3.817 -13.733 1.00 0.00 C ATOM 0 H ALA A 24 -4.100 -3.972 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.163 -5.895 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.464 -3.856 -14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.639 -3.935 -13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.229 -2.856 -13.362 1.00 0.00 H new ATOM 325 N GLN A 25 -1.427 -5.255 -12.597 1.00 0.00 N ATOM 326 CA GLN A 25 0.006 -5.210 -12.860 1.00 0.00 C ATOM 327 C GLN A 25 0.596 -6.615 -12.907 1.00 0.00 C ATOM 328 O GLN A 25 1.419 -6.925 -13.768 1.00 0.00 O ATOM 329 CB GLN A 25 0.716 -4.381 -11.789 1.00 0.00 C ATOM 330 CG GLN A 25 0.715 -2.888 -12.073 1.00 0.00 C ATOM 331 CD GLN A 25 1.924 -2.182 -11.492 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.793 -1.272 -10.673 1.00 0.00 O ATOM 333 NE2 GLN A 25 3.113 -2.599 -11.914 1.00 0.00 N ATOM 0 H GLN A 25 -1.677 -5.628 -11.681 1.00 0.00 H new ATOM 0 HA GLN A 25 0.157 -4.741 -13.832 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.236 -4.559 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.747 -4.724 -11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.688 -2.727 -13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.192 -2.445 -11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.176 -3.357 -12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.963 -2.161 -11.558 1.00 0.00 H new ATOM 342 N CYS A 26 0.169 -7.462 -11.977 1.00 0.00 N ATOM 343 CA CYS A 26 0.654 -8.835 -11.912 1.00 0.00 C ATOM 344 C CYS A 26 -0.504 -9.814 -11.747 1.00 0.00 C ATOM 345 O CYS A 26 -0.306 -10.963 -11.349 1.00 0.00 O ATOM 346 CB CYS A 26 1.641 -8.994 -10.752 1.00 0.00 C ATOM 347 SG CYS A 26 1.018 -8.375 -9.157 1.00 0.00 S ATOM 0 H CYS A 26 -0.513 -7.221 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 26 1.164 -9.059 -12.849 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.894 -10.049 -10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.563 -8.468 -10.999 1.00 0.00 H new ATOM 352 N GLN A 27 -1.711 -9.352 -12.056 1.00 0.00 N ATOM 353 CA GLN A 27 -2.900 -10.188 -11.941 1.00 0.00 C ATOM 354 C GLN A 27 -2.939 -10.898 -10.593 1.00 0.00 C ATOM 355 O GLN A 27 -3.287 -12.076 -10.510 1.00 0.00 O ATOM 356 CB GLN A 27 -2.938 -11.215 -13.074 1.00 0.00 C ATOM 357 CG GLN A 27 -3.584 -10.694 -14.347 1.00 0.00 C ATOM 358 CD GLN A 27 -5.049 -10.350 -14.162 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.863 -11.211 -13.827 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.392 -9.085 -14.376 1.00 0.00 N ATOM 0 H GLN A 27 -1.891 -8.404 -12.388 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.775 -9.543 -12.015 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.920 -11.534 -13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.482 -12.097 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.047 -9.808 -14.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.488 -11.444 -15.132 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.684 -8.404 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.363 -8.794 -14.264 1.00 0.00 H new ATOM 369 N CYS A 28 -2.580 -10.175 -9.537 1.00 0.00 N ATOM 370 CA CYS A 28 -2.572 -10.735 -8.192 1.00 0.00 C ATOM 371 C CYS A 28 -3.764 -10.227 -7.385 1.00 0.00 C ATOM 372 O CYS A 28 -4.071 -9.035 -7.395 1.00 0.00 O ATOM 373 CB CYS A 28 -1.269 -10.378 -7.476 1.00 0.00 C ATOM 374 SG CYS A 28 0.178 -11.326 -8.049 1.00 0.00 S ATOM 0 H CYS A 28 -2.290 -9.198 -9.588 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.647 -11.819 -8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.071 -9.315 -7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.398 -10.543 -6.406 1.00 0.00 H new ATOM 379 N ILE A 29 -4.431 -11.141 -6.687 1.00 0.00 N ATOM 380 CA ILE A 29 -5.587 -10.787 -5.875 1.00 0.00 C ATOM 381 C ILE A 29 -5.291 -10.962 -4.389 1.00 0.00 C ATOM 382 O ILE A 29 -4.557 -11.869 -3.996 1.00 0.00 O ATOM 383 CB ILE A 29 -6.818 -11.636 -6.244 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.076 -11.062 -5.590 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.609 -13.082 -5.824 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.350 -11.394 -6.336 1.00 0.00 C ATOM 0 H ILE A 29 -4.190 -12.132 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.805 -9.739 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.949 -11.608 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.152 -11.442 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.977 -9.979 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.487 -13.669 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.734 -13.486 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.456 -13.129 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.201 -10.955 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.295 -10.990 -7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.472 -12.476 -6.383 1.00 0.00 H new ATOM 398 N PHE A 30 -5.866 -10.090 -3.569 1.00 0.00 N ATOM 399 CA PHE A 30 -5.664 -10.149 -2.126 1.00 0.00 C ATOM 400 C PHE A 30 -6.863 -9.566 -1.384 1.00 0.00 C ATOM 401 O PHE A 30 -7.611 -8.755 -1.930 1.00 0.00 O ATOM 402 CB PHE A 30 -4.392 -9.393 -1.737 1.00 0.00 C ATOM 403 CG PHE A 30 -3.171 -9.849 -2.483 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.483 -10.984 -2.086 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.711 -9.142 -3.583 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.359 -11.406 -2.771 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.588 -9.560 -4.272 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.911 -10.694 -3.865 1.00 0.00 C ATOM 0 H PHE A 30 -6.476 -9.333 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.558 -11.196 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.542 -8.329 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.220 -9.513 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.829 -11.546 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.236 -8.255 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.832 -12.292 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.240 -9.001 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.033 -11.022 -4.402 1.00 0.00 H new ATOM 418 N CYS A 31 -7.039 -9.985 -0.136 1.00 0.00 N ATOM 419 CA CYS A 31 -8.147 -9.507 0.683 1.00 0.00 C ATOM 420 C CYS A 31 -7.866 -8.103 1.211 1.00 0.00 C ATOM 421 O CYS A 31 -6.832 -7.857 1.833 1.00 0.00 O ATOM 422 CB CYS A 31 -8.397 -10.463 1.850 1.00 0.00 C ATOM 423 SG CYS A 31 -7.168 -10.338 3.190 1.00 0.00 S ATOM 0 H CYS A 31 -6.428 -10.655 0.331 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.039 -9.469 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.388 -10.267 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.405 -11.486 1.473 1.00 0.00 H new ATOM 428 N THR A 32 -8.795 -7.186 0.961 1.00 0.00 N ATOM 429 CA THR A 32 -8.649 -5.807 1.410 1.00 0.00 C ATOM 430 C THR A 32 -7.882 -5.737 2.727 1.00 0.00 C ATOM 431 O THR A 32 -6.862 -5.054 2.827 1.00 0.00 O ATOM 432 CB THR A 32 -10.018 -5.126 1.590 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.824 -5.332 0.424 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.852 -3.634 1.839 1.00 0.00 C ATOM 0 H THR A 32 -9.657 -7.374 0.450 1.00 0.00 H new ATOM 0 HA THR A 32 -8.089 -5.280 0.637 1.00 0.00 H new ATOM 0 HB THR A 32 -10.509 -5.571 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.694 -4.897 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.833 -3.175 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.262 -3.479 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.342 -3.178 0.990 1.00 0.00 H new ATOM 442 N LEU A 33 -8.380 -6.446 3.733 1.00 0.00 N ATOM 443 CA LEU A 33 -7.741 -6.465 5.045 1.00 0.00 C ATOM 444 C LEU A 33 -6.222 -6.441 4.911 1.00 0.00 C ATOM 445 O LEU A 33 -5.563 -5.502 5.361 1.00 0.00 O ATOM 446 CB LEU A 33 -8.176 -7.704 5.829 1.00 0.00 C ATOM 447 CG LEU A 33 -9.428 -7.548 6.692 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.243 -6.428 7.703 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.647 -7.285 5.820 1.00 0.00 C ATOM 0 H LEU A 33 -9.224 -7.015 3.666 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.054 -5.572 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.346 -8.516 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.351 -8.010 6.473 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.589 -8.478 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.144 -6.332 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.395 -6.657 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.057 -5.491 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.529 -7.177 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.495 -6.369 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.791 -8.120 5.135 1.00 0.00 H new ATOM 461 N CYS A 34 -5.671 -7.477 4.288 1.00 0.00 N ATOM 462 CA CYS A 34 -4.229 -7.575 4.094 1.00 0.00 C ATOM 463 C CYS A 34 -3.701 -6.366 3.327 1.00 0.00 C ATOM 464 O CYS A 34 -3.018 -5.509 3.891 1.00 0.00 O ATOM 465 CB CYS A 34 -3.883 -8.861 3.341 1.00 0.00 C ATOM 466 SG CYS A 34 -4.149 -10.383 4.307 1.00 0.00 S ATOM 0 H CYS A 34 -6.201 -8.261 3.909 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.755 -7.596 5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.484 -8.910 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.839 -8.818 3.031 1.00 0.00 H new ATOM 471 N LEU A 35 -4.021 -6.303 2.039 1.00 0.00 N ATOM 472 CA LEU A 35 -3.580 -5.199 1.195 1.00 0.00 C ATOM 473 C LEU A 35 -3.607 -3.881 1.962 1.00 0.00 C ATOM 474 O LEU A 35 -2.768 -3.006 1.746 1.00 0.00 O ATOM 475 CB LEU A 35 -4.464 -5.096 -0.048 1.00 0.00 C ATOM 476 CG LEU A 35 -3.977 -5.854 -1.285 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.112 -6.039 -2.280 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.810 -5.123 -1.932 1.00 0.00 C ATOM 0 H LEU A 35 -4.584 -7.004 1.557 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.553 -5.398 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.459 -5.460 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.567 -4.043 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.633 -6.840 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.746 -6.580 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.917 -6.606 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.488 -5.064 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.476 -5.676 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.127 -4.124 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.989 -5.045 -1.219 1.00 0.00 H new ATOM 490 N LYS A 36 -4.575 -3.746 2.862 1.00 0.00 N ATOM 491 CA LYS A 36 -4.711 -2.538 3.665 1.00 0.00 C ATOM 492 C LYS A 36 -3.549 -2.402 4.646 1.00 0.00 C ATOM 493 O LYS A 36 -2.888 -1.366 4.698 1.00 0.00 O ATOM 494 CB LYS A 36 -6.037 -2.554 4.429 1.00 0.00 C ATOM 495 CG LYS A 36 -6.299 -1.285 5.221 1.00 0.00 C ATOM 496 CD LYS A 36 -7.450 -1.464 6.197 1.00 0.00 C ATOM 497 CE LYS A 36 -7.469 -0.361 7.244 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.773 -0.299 7.961 1.00 0.00 N ATOM 0 H LYS A 36 -5.278 -4.460 3.053 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.697 -1.681 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.852 -2.705 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.044 -3.405 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.399 -1.003 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.525 -0.468 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.394 -1.466 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.364 -2.433 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.667 -0.529 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.272 0.598 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.746 0.465 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.536 -0.114 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.949 -1.205 8.440 1.00 0.00 H new ATOM 512 N GLN A 37 -3.307 -3.457 5.418 1.00 0.00 N ATOM 513 CA GLN A 37 -2.225 -3.454 6.396 1.00 0.00 C ATOM 514 C GLN A 37 -0.867 -3.468 5.703 1.00 0.00 C ATOM 515 O GLN A 37 0.128 -2.996 6.255 1.00 0.00 O ATOM 516 CB GLN A 37 -2.348 -4.661 7.326 1.00 0.00 C ATOM 517 CG GLN A 37 -3.246 -4.414 8.529 1.00 0.00 C ATOM 518 CD GLN A 37 -3.337 -5.616 9.447 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.373 -5.968 10.126 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.502 -6.255 9.473 1.00 0.00 N ATOM 0 H GLN A 37 -3.845 -4.323 5.385 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.303 -2.540 6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.738 -5.507 6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.355 -4.942 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.867 -3.561 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.245 -4.150 8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.276 -5.929 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.623 -7.071 10.072 1.00 0.00 H new ATOM 529 N TYR A 38 -0.831 -4.012 4.492 1.00 0.00 N ATOM 530 CA TYR A 38 0.406 -4.090 3.725 1.00 0.00 C ATOM 531 C TYR A 38 0.875 -2.700 3.304 1.00 0.00 C ATOM 532 O TYR A 38 1.950 -2.249 3.700 1.00 0.00 O ATOM 533 CB TYR A 38 0.211 -4.970 2.489 1.00 0.00 C ATOM 534 CG TYR A 38 1.405 -4.988 1.563 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.544 -5.721 1.879 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.399 -4.271 0.373 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.638 -5.740 1.037 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.489 -4.285 -0.476 1.00 0.00 C ATOM 539 CZ TYR A 38 3.605 -5.020 -0.141 1.00 0.00 C ATOM 540 OH TYR A 38 4.693 -5.036 -0.983 1.00 0.00 O ATOM 0 H TYR A 38 -1.645 -4.406 4.020 1.00 0.00 H new ATOM 0 HA TYR A 38 1.170 -4.535 4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.005 -5.989 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.661 -4.618 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.573 -6.285 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.527 -3.692 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.514 -6.315 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.466 -3.723 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 38 4.547 -4.405 -1.718 1.00 0.00 H new ATOM 550 N VAL A 39 0.059 -2.027 2.500 1.00 0.00 N ATOM 551 CA VAL A 39 0.387 -0.687 2.025 1.00 0.00 C ATOM 552 C VAL A 39 0.472 0.301 3.184 1.00 0.00 C ATOM 553 O VAL A 39 1.158 1.318 3.096 1.00 0.00 O ATOM 554 CB VAL A 39 -0.652 -0.181 1.009 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.894 -1.224 -0.072 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.951 0.182 1.711 1.00 0.00 C ATOM 0 H VAL A 39 -0.834 -2.387 2.163 1.00 0.00 H new ATOM 0 HA VAL A 39 1.359 -0.754 1.536 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.260 0.718 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.632 -0.848 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.040 -1.430 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.264 -2.142 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.674 0.538 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.350 -0.698 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.762 0.967 2.444 1.00 0.00 H new ATOM 566 N GLU A 40 -0.231 -0.007 4.269 1.00 0.00 N ATOM 567 CA GLU A 40 -0.236 0.855 5.445 1.00 0.00 C ATOM 568 C GLU A 40 1.093 0.765 6.191 1.00 0.00 C ATOM 569 O GLU A 40 1.808 1.759 6.330 1.00 0.00 O ATOM 570 CB GLU A 40 -1.385 0.472 6.382 1.00 0.00 C ATOM 571 CG GLU A 40 -2.674 1.226 6.102 1.00 0.00 C ATOM 572 CD GLU A 40 -3.716 1.021 7.185 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.865 -0.128 7.653 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.381 2.007 7.564 1.00 0.00 O ATOM 0 H GLU A 40 -0.804 -0.846 4.358 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.377 1.882 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.573 -0.598 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.081 0.659 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.456 2.290 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.081 0.900 5.145 1.00 0.00 H new ATOM 581 N LEU A 41 1.417 -0.431 6.669 1.00 0.00 N ATOM 582 CA LEU A 41 2.659 -0.652 7.401 1.00 0.00 C ATOM 583 C LEU A 41 3.862 -0.197 6.581 1.00 0.00 C ATOM 584 O LEU A 41 4.800 0.400 7.113 1.00 0.00 O ATOM 585 CB LEU A 41 2.805 -2.130 7.763 1.00 0.00 C ATOM 586 CG LEU A 41 2.173 -2.563 9.087 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.916 -1.944 10.260 1.00 0.00 C ATOM 588 CD2 LEU A 41 0.701 -2.181 9.125 1.00 0.00 C ATOM 0 H LEU A 41 0.837 -1.263 6.563 1.00 0.00 H new ATOM 0 HA LEU A 41 2.622 -0.062 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.366 -2.725 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.867 -2.373 7.794 1.00 0.00 H new ATOM 0 HG LEU A 41 2.249 -3.647 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.452 -2.263 11.194 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.957 -2.267 10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.872 -0.857 10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.268 -2.497 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.603 -1.100 9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.176 -2.672 8.305 1.00 0.00 H new ATOM 600 N LEU A 42 3.829 -0.479 5.283 1.00 0.00 N ATOM 601 CA LEU A 42 4.915 -0.096 4.389 1.00 0.00 C ATOM 602 C LEU A 42 5.070 1.420 4.338 1.00 0.00 C ATOM 603 O LEU A 42 6.157 1.951 4.570 1.00 0.00 O ATOM 604 CB LEU A 42 4.661 -0.642 2.982 1.00 0.00 C ATOM 605 CG LEU A 42 5.041 -2.104 2.752 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.579 -2.565 1.377 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.543 -2.296 2.904 1.00 0.00 C ATOM 0 H LEU A 42 3.061 -0.972 4.827 1.00 0.00 H new ATOM 0 HA LEU A 42 5.839 -0.524 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.602 -0.522 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.213 -0.028 2.270 1.00 0.00 H new ATOM 0 HG LEU A 42 4.540 -2.712 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.858 -3.608 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.496 -2.465 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.052 -1.952 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.795 -3.343 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.065 -1.676 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.847 -2.006 3.910 1.00 0.00 H new ATOM 619 N ILE A 43 3.977 2.112 4.035 1.00 0.00 N ATOM 620 CA ILE A 43 3.992 3.567 3.958 1.00 0.00 C ATOM 621 C ILE A 43 4.420 4.184 5.285 1.00 0.00 C ATOM 622 O ILE A 43 5.312 5.032 5.328 1.00 0.00 O ATOM 623 CB ILE A 43 2.610 4.123 3.568 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.228 3.663 2.160 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.607 5.643 3.653 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.735 3.601 1.927 1.00 0.00 C ATOM 0 H ILE A 43 3.070 1.688 3.839 1.00 0.00 H new ATOM 0 HA ILE A 43 4.714 3.835 3.187 1.00 0.00 H new ATOM 0 HB ILE A 43 1.870 3.737 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.673 4.341 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.657 2.677 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.623 6.021 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.839 5.951 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.357 6.047 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.539 3.267 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.286 2.900 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.302 4.591 2.074 1.00 0.00 H new ATOM 638 N LYS A 44 3.780 3.752 6.365 1.00 0.00 N ATOM 639 CA LYS A 44 4.097 4.258 7.696 1.00 0.00 C ATOM 640 C LYS A 44 5.593 4.164 7.972 1.00 0.00 C ATOM 641 O LYS A 44 6.171 5.042 8.612 1.00 0.00 O ATOM 642 CB LYS A 44 3.320 3.478 8.759 1.00 0.00 C ATOM 643 CG LYS A 44 1.858 3.876 8.859 1.00 0.00 C ATOM 644 CD LYS A 44 1.256 3.455 10.189 1.00 0.00 C ATOM 645 CE LYS A 44 -0.014 4.235 10.497 1.00 0.00 C ATOM 646 NZ LYS A 44 0.281 5.538 11.153 1.00 0.00 N ATOM 0 H LYS A 44 3.038 3.052 6.346 1.00 0.00 H new ATOM 0 HA LYS A 44 3.804 5.307 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.383 2.413 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.796 3.629 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.765 4.956 8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.298 3.417 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.033 2.388 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.983 3.613 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.566 4.410 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.658 3.640 11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.610 6.039 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.785 5.370 12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.874 6.117 10.525 1.00 0.00 H new ATOM 660 N GLU A 45 6.215 3.095 7.485 1.00 0.00 N ATOM 661 CA GLU A 45 7.645 2.887 7.680 1.00 0.00 C ATOM 662 C GLU A 45 8.438 4.113 7.235 1.00 0.00 C ATOM 663 O GLU A 45 9.287 4.617 7.969 1.00 0.00 O ATOM 664 CB GLU A 45 8.114 1.654 6.906 1.00 0.00 C ATOM 665 CG GLU A 45 9.453 1.111 7.380 1.00 0.00 C ATOM 666 CD GLU A 45 9.612 -0.371 7.104 1.00 0.00 C ATOM 667 OE1 GLU A 45 8.613 -1.109 7.230 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.736 -0.793 6.761 1.00 0.00 O ATOM 0 H GLU A 45 5.751 2.359 6.952 1.00 0.00 H new ATOM 0 HA GLU A 45 7.822 2.727 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.361 0.871 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.187 1.906 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.257 1.657 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.555 1.290 8.450 1.00 0.00 H new ATOM 675 N GLY A 46 8.154 4.587 6.025 1.00 0.00 N ATOM 676 CA GLY A 46 8.849 5.749 5.503 1.00 0.00 C ATOM 677 C GLY A 46 9.919 5.379 4.494 1.00 0.00 C ATOM 678 O GLY A 46 10.026 6.000 3.437 1.00 0.00 O ATOM 0 H GLY A 46 7.456 4.187 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.129 6.420 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.305 6.297 6.328 1.00 0.00 H new ATOM 682 N LEU A 47 10.713 4.366 4.822 1.00 0.00 N ATOM 683 CA LEU A 47 11.782 3.915 3.937 1.00 0.00 C ATOM 684 C LEU A 47 11.228 3.520 2.572 1.00 0.00 C ATOM 685 O LEU A 47 11.538 4.151 1.561 1.00 0.00 O ATOM 686 CB LEU A 47 12.522 2.730 4.562 1.00 0.00 C ATOM 687 CG LEU A 47 13.523 2.012 3.656 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.702 2.918 3.339 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.001 0.722 4.307 1.00 0.00 C ATOM 0 H LEU A 47 10.637 3.841 5.693 1.00 0.00 H new ATOM 0 HA LEU A 47 12.480 4.741 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.051 3.083 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.783 2.004 4.901 1.00 0.00 H new ATOM 0 HG LEU A 47 13.022 1.761 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.404 2.390 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.346 3.814 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.203 3.200 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.713 0.224 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.484 0.951 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.149 0.066 4.483 1.00 0.00 H new ATOM 701 N GLU A 48 10.407 2.475 2.551 1.00 0.00 N ATOM 702 CA GLU A 48 9.809 1.999 1.309 1.00 0.00 C ATOM 703 C GLU A 48 9.037 3.116 0.613 1.00 0.00 C ATOM 704 O GLU A 48 8.050 3.627 1.141 1.00 0.00 O ATOM 705 CB GLU A 48 8.878 0.816 1.585 1.00 0.00 C ATOM 706 CG GLU A 48 9.578 -0.532 1.544 1.00 0.00 C ATOM 707 CD GLU A 48 10.620 -0.683 2.635 1.00 0.00 C ATOM 708 OE1 GLU A 48 10.283 -0.450 3.814 1.00 0.00 O ATOM 709 OE2 GLU A 48 11.774 -1.034 2.309 1.00 0.00 O ATOM 0 H GLU A 48 10.141 1.942 3.379 1.00 0.00 H new ATOM 0 HA GLU A 48 10.614 1.673 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.418 0.947 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.072 0.820 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.837 -1.325 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.054 -0.660 0.572 1.00 0.00 H new ATOM 716 N THR A 49 9.496 3.491 -0.577 1.00 0.00 N ATOM 717 CA THR A 49 8.851 4.548 -1.346 1.00 0.00 C ATOM 718 C THR A 49 7.863 3.971 -2.353 1.00 0.00 C ATOM 719 O THR A 49 6.897 4.630 -2.738 1.00 0.00 O ATOM 720 CB THR A 49 9.885 5.409 -2.095 1.00 0.00 C ATOM 721 OG1 THR A 49 10.946 5.781 -1.208 1.00 0.00 O ATOM 722 CG2 THR A 49 9.234 6.660 -2.668 1.00 0.00 C ATOM 0 H THR A 49 10.312 3.078 -1.029 1.00 0.00 H new ATOM 0 HA THR A 49 8.315 5.175 -0.633 1.00 0.00 H new ATOM 0 HB THR A 49 10.289 4.819 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.601 6.327 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.984 7.253 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.446 6.374 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.806 7.251 -1.858 1.00 0.00 H new ATOM 730 N ALA A 50 8.110 2.736 -2.776 1.00 0.00 N ATOM 731 CA ALA A 50 7.240 2.069 -3.737 1.00 0.00 C ATOM 732 C ALA A 50 6.516 0.890 -3.097 1.00 0.00 C ATOM 733 O ALA A 50 7.126 0.083 -2.394 1.00 0.00 O ATOM 734 CB ALA A 50 8.043 1.606 -4.944 1.00 0.00 C ATOM 0 H ALA A 50 8.906 2.177 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 50 6.489 2.786 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.380 1.110 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.508 2.467 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.816 0.909 -4.621 1.00 0.00 H new ATOM 740 N ILE A 51 5.214 0.796 -3.343 1.00 0.00 N ATOM 741 CA ILE A 51 4.408 -0.286 -2.790 1.00 0.00 C ATOM 742 C ILE A 51 4.377 -1.485 -3.731 1.00 0.00 C ATOM 743 O ILE A 51 3.444 -1.644 -4.518 1.00 0.00 O ATOM 744 CB ILE A 51 2.964 0.173 -2.512 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.962 1.386 -1.579 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.153 -0.965 -1.912 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.609 1.118 -0.238 1.00 0.00 C ATOM 0 H ILE A 51 4.694 1.456 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 51 4.875 -0.578 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 51 2.503 0.464 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.483 2.210 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.933 1.709 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.135 -0.625 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.131 -1.803 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.611 -1.284 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.572 2.021 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.074 0.315 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.648 0.824 -0.388 1.00 0.00 H new ATOM 759 N SER A 52 5.402 -2.327 -3.644 1.00 0.00 N ATOM 760 CA SER A 52 5.493 -3.511 -4.490 1.00 0.00 C ATOM 761 C SER A 52 4.431 -4.536 -4.105 1.00 0.00 C ATOM 762 O SER A 52 3.629 -4.307 -3.199 1.00 0.00 O ATOM 763 CB SER A 52 6.884 -4.136 -4.380 1.00 0.00 C ATOM 764 OG SER A 52 7.219 -4.847 -5.559 1.00 0.00 O ATOM 0 H SER A 52 6.181 -2.211 -2.996 1.00 0.00 H new ATOM 0 HA SER A 52 5.321 -3.205 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.623 -3.356 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.917 -4.810 -3.524 1.00 0.00 H new ATOM 0 HG SER A 52 8.114 -5.235 -5.464 1.00 0.00 H new ATOM 770 N CYS A 53 4.430 -5.668 -4.801 1.00 0.00 N ATOM 771 CA CYS A 53 3.467 -6.729 -4.534 1.00 0.00 C ATOM 772 C CYS A 53 3.729 -7.373 -3.176 1.00 0.00 C ATOM 773 O CYS A 53 4.866 -7.674 -2.813 1.00 0.00 O ATOM 774 CB CYS A 53 3.530 -7.791 -5.634 1.00 0.00 C ATOM 775 SG CYS A 53 2.287 -9.113 -5.464 1.00 0.00 S ATOM 0 H CYS A 53 5.086 -5.874 -5.555 1.00 0.00 H new ATOM 0 HA CYS A 53 2.471 -6.286 -4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.398 -7.305 -6.601 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.524 -8.239 -5.635 1.00 0.00 H new ATOM 780 N PRO A 54 2.652 -7.591 -2.407 1.00 0.00 N ATOM 781 CA PRO A 54 2.740 -8.201 -1.076 1.00 0.00 C ATOM 782 C PRO A 54 3.114 -9.678 -1.141 1.00 0.00 C ATOM 783 O PRO A 54 3.330 -10.319 -0.111 1.00 0.00 O ATOM 784 CB PRO A 54 1.326 -8.031 -0.516 1.00 0.00 C ATOM 785 CG PRO A 54 0.449 -7.943 -1.716 1.00 0.00 C ATOM 786 CD PRO A 54 1.266 -7.258 -2.776 1.00 0.00 C ATOM 0 HA PRO A 54 3.514 -7.738 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.047 -8.874 0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.249 -7.133 0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.136 -8.934 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.457 -7.379 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.017 -7.622 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.099 -6.181 -2.779 1.00 0.00 H new ATOM 794 N ASP A 55 3.188 -10.212 -2.354 1.00 0.00 N ATOM 795 CA ASP A 55 3.538 -11.614 -2.552 1.00 0.00 C ATOM 796 C ASP A 55 4.964 -11.750 -3.075 1.00 0.00 C ATOM 797 O ASP A 55 5.288 -11.260 -4.156 1.00 0.00 O ATOM 798 CB ASP A 55 2.560 -12.274 -3.525 1.00 0.00 C ATOM 799 CG ASP A 55 2.600 -13.787 -3.450 1.00 0.00 C ATOM 800 OD1 ASP A 55 1.887 -14.359 -2.597 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.343 -14.402 -4.243 1.00 0.00 O ATOM 0 H ASP A 55 3.010 -9.696 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 55 3.474 -12.118 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.549 -11.929 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.794 -11.957 -4.541 1.00 0.00 H new ATOM 806 N ALA A 56 5.812 -12.418 -2.301 1.00 0.00 N ATOM 807 CA ALA A 56 7.203 -12.619 -2.687 1.00 0.00 C ATOM 808 C ALA A 56 7.313 -13.585 -3.862 1.00 0.00 C ATOM 809 O ALA A 56 8.008 -13.310 -4.841 1.00 0.00 O ATOM 810 CB ALA A 56 8.011 -13.131 -1.503 1.00 0.00 C ATOM 0 H ALA A 56 5.560 -12.829 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 56 7.609 -11.658 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.048 -13.277 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.969 -12.404 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.596 -14.080 -1.162 1.00 0.00 H new ATOM 816 N ALA A 57 6.624 -14.716 -3.759 1.00 0.00 N ATOM 817 CA ALA A 57 6.644 -15.721 -4.814 1.00 0.00 C ATOM 818 C ALA A 57 6.342 -15.097 -6.173 1.00 0.00 C ATOM 819 O ALA A 57 6.900 -15.505 -7.192 1.00 0.00 O ATOM 820 CB ALA A 57 5.646 -16.829 -4.507 1.00 0.00 C ATOM 0 H ALA A 57 6.045 -14.959 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 57 7.645 -16.149 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.672 -17.573 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.907 -17.302 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.644 -16.407 -4.437 1.00 0.00 H new ATOM 826 N CYS A 58 5.458 -14.106 -6.180 1.00 0.00 N ATOM 827 CA CYS A 58 5.081 -13.426 -7.413 1.00 0.00 C ATOM 828 C CYS A 58 6.302 -13.183 -8.295 1.00 0.00 C ATOM 829 O CYS A 58 7.139 -12.323 -8.018 1.00 0.00 O ATOM 830 CB CYS A 58 4.394 -12.096 -7.097 1.00 0.00 C ATOM 831 SG CYS A 58 3.529 -11.350 -8.516 1.00 0.00 S ATOM 0 H CYS A 58 4.989 -13.755 -5.345 1.00 0.00 H new ATOM 0 HA CYS A 58 4.385 -14.067 -7.954 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.678 -12.252 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.141 -11.392 -6.729 1.00 0.00 H new ATOM 836 N PRO A 59 6.409 -13.959 -9.385 1.00 0.00 N ATOM 837 CA PRO A 59 7.523 -13.846 -10.331 1.00 0.00 C ATOM 838 C PRO A 59 7.472 -12.553 -11.136 1.00 0.00 C ATOM 839 O PRO A 59 8.441 -12.184 -11.800 1.00 0.00 O ATOM 840 CB PRO A 59 7.331 -15.056 -11.249 1.00 0.00 C ATOM 841 CG PRO A 59 5.875 -15.362 -11.174 1.00 0.00 C ATOM 842 CD PRO A 59 5.449 -15.004 -9.777 1.00 0.00 C ATOM 0 HA PRO A 59 8.488 -13.826 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.636 -14.830 -12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.931 -15.903 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.317 -14.786 -11.912 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.686 -16.415 -11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.423 -14.637 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.497 -15.864 -9.109 1.00 0.00 H new ATOM 850 N LYS A 60 6.335 -11.867 -11.074 1.00 0.00 N ATOM 851 CA LYS A 60 6.158 -10.613 -11.796 1.00 0.00 C ATOM 852 C LYS A 60 6.523 -9.422 -10.916 1.00 0.00 C ATOM 853 O LYS A 60 7.127 -8.457 -11.382 1.00 0.00 O ATOM 854 CB LYS A 60 4.712 -10.479 -12.280 1.00 0.00 C ATOM 855 CG LYS A 60 4.416 -9.151 -12.955 1.00 0.00 C ATOM 856 CD LYS A 60 4.720 -9.203 -14.443 1.00 0.00 C ATOM 857 CE LYS A 60 3.915 -8.168 -15.213 1.00 0.00 C ATOM 858 NZ LYS A 60 2.573 -8.685 -15.599 1.00 0.00 N ATOM 0 H LYS A 60 5.523 -12.159 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 60 6.824 -10.622 -12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.495 -11.288 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.041 -10.602 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.368 -8.891 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.009 -8.364 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.784 -9.031 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.496 -10.198 -14.827 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.798 -7.272 -14.603 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.463 -7.875 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.413 -8.514 -16.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.527 -9.706 -15.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.840 -8.196 -15.046 1.00 0.00 H new ATOM 872 N GLN A 61 6.153 -9.498 -9.641 1.00 0.00 N ATOM 873 CA GLN A 61 6.442 -8.426 -8.697 1.00 0.00 C ATOM 874 C GLN A 61 5.846 -7.105 -9.172 1.00 0.00 C ATOM 875 O GLN A 61 6.550 -6.105 -9.302 1.00 0.00 O ATOM 876 CB GLN A 61 7.953 -8.278 -8.509 1.00 0.00 C ATOM 877 CG GLN A 61 8.639 -9.559 -8.059 1.00 0.00 C ATOM 878 CD GLN A 61 10.080 -9.334 -7.644 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.786 -8.513 -8.230 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.523 -10.064 -6.627 1.00 0.00 N ATOM 0 H GLN A 61 5.653 -10.291 -9.239 1.00 0.00 H new ATOM 0 HA GLN A 61 5.987 -8.686 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.397 -7.949 -9.448 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.144 -7.496 -7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.087 -9.988 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.608 -10.288 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.902 -10.733 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.484 -9.956 -6.302 1.00 0.00 H new ATOM 889 N GLY A 62 4.541 -7.111 -9.431 1.00 0.00 N ATOM 890 CA GLY A 62 3.872 -5.907 -9.890 1.00 0.00 C ATOM 891 C GLY A 62 3.528 -4.966 -8.752 1.00 0.00 C ATOM 892 O GLY A 62 3.139 -5.405 -7.670 1.00 0.00 O ATOM 0 H GLY A 62 3.936 -7.926 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.512 -5.389 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.959 -6.181 -10.419 1.00 0.00 H new ATOM 896 N HIS A 63 3.673 -3.667 -8.997 1.00 0.00 N ATOM 897 CA HIS A 63 3.376 -2.660 -7.985 1.00 0.00 C ATOM 898 C HIS A 63 1.888 -2.320 -7.978 1.00 0.00 C ATOM 899 O HIS A 63 1.139 -2.742 -8.860 1.00 0.00 O ATOM 900 CB HIS A 63 4.199 -1.397 -8.233 1.00 0.00 C ATOM 901 CG HIS A 63 5.678 -1.635 -8.232 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.379 -2.019 -9.355 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.589 -1.541 -7.235 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.658 -2.152 -9.049 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.810 -1.867 -7.768 1.00 0.00 N ATOM 0 H HIS A 63 3.994 -3.288 -9.888 1.00 0.00 H new ATOM 0 HA HIS A 63 3.642 -3.070 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.909 -0.967 -9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.958 -0.660 -7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.391 -1.261 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.444 -2.444 -9.730 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.693 -1.886 -7.258 1.00 0.00 H new ATOM 913 N LEU A 64 1.466 -1.555 -6.976 1.00 0.00 N ATOM 914 CA LEU A 64 0.068 -1.158 -6.853 1.00 0.00 C ATOM 915 C LEU A 64 -0.179 0.185 -7.531 1.00 0.00 C ATOM 916 O LEU A 64 0.652 1.091 -7.453 1.00 0.00 O ATOM 917 CB LEU A 64 -0.333 -1.080 -5.380 1.00 0.00 C ATOM 918 CG LEU A 64 -0.901 -2.362 -4.769 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.278 -2.662 -5.340 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.044 -3.530 -5.009 1.00 0.00 C ATOM 0 H LEU A 64 2.072 -1.198 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.543 -1.912 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.542 -0.782 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.074 -0.289 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.001 -2.216 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.666 -3.578 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.953 -1.835 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.204 -2.788 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.376 -4.434 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.176 -3.677 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.010 -3.317 -4.550 1.00 0.00 H new ATOM 932 N GLN A 65 -1.324 0.308 -8.194 1.00 0.00 N ATOM 933 CA GLN A 65 -1.680 1.542 -8.883 1.00 0.00 C ATOM 934 C GLN A 65 -2.061 2.632 -7.887 1.00 0.00 C ATOM 935 O GLN A 65 -2.784 2.379 -6.924 1.00 0.00 O ATOM 936 CB GLN A 65 -2.835 1.294 -9.854 1.00 0.00 C ATOM 937 CG GLN A 65 -2.531 0.239 -10.905 1.00 0.00 C ATOM 938 CD GLN A 65 -1.786 0.801 -12.100 1.00 0.00 C ATOM 939 OE1 GLN A 65 -1.094 1.814 -11.993 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.924 0.146 -13.246 1.00 0.00 N ATOM 0 H GLN A 65 -2.021 -0.433 -8.269 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.809 1.879 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.715 0.988 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.086 2.230 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.938 -0.557 -10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.465 -0.211 -11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.508 -0.689 -13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.446 0.478 -14.084 1.00 0.00 H new ATOM 949 N GLU A 66 -1.571 3.845 -8.126 1.00 0.00 N ATOM 950 CA GLU A 66 -1.861 4.971 -7.248 1.00 0.00 C ATOM 951 C GLU A 66 -3.351 5.038 -6.921 1.00 0.00 C ATOM 952 O GLU A 66 -3.735 5.317 -5.787 1.00 0.00 O ATOM 953 CB GLU A 66 -1.412 6.282 -7.899 1.00 0.00 C ATOM 954 CG GLU A 66 -1.111 7.386 -6.899 1.00 0.00 C ATOM 955 CD GLU A 66 -0.379 8.557 -7.526 1.00 0.00 C ATOM 956 OE1 GLU A 66 0.849 8.452 -7.726 1.00 0.00 O ATOM 957 OE2 GLU A 66 -1.036 9.578 -7.817 1.00 0.00 O ATOM 0 H GLU A 66 -0.972 4.072 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.309 4.826 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.521 6.094 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.190 6.624 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.045 7.739 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.510 6.980 -6.085 1.00 0.00 H new ATOM 964 N ASN A 67 -4.182 4.780 -7.925 1.00 0.00 N ATOM 965 CA ASN A 67 -5.630 4.810 -7.745 1.00 0.00 C ATOM 966 C ASN A 67 -6.067 3.807 -6.683 1.00 0.00 C ATOM 967 O ASN A 67 -6.967 4.081 -5.890 1.00 0.00 O ATOM 968 CB ASN A 67 -6.335 4.509 -9.069 1.00 0.00 C ATOM 969 CG ASN A 67 -6.376 3.025 -9.377 1.00 0.00 C ATOM 970 OD1 ASN A 67 -5.342 2.399 -9.612 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.576 2.454 -9.378 1.00 0.00 N ATOM 0 H ASN A 67 -3.879 4.548 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.909 5.809 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.353 4.898 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.823 5.031 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.667 1.458 -9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.406 3.012 -9.178 1.00 0.00 H new ATOM 978 N GLU A 68 -5.423 2.644 -6.674 1.00 0.00 N ATOM 979 CA GLU A 68 -5.747 1.600 -5.708 1.00 0.00 C ATOM 980 C GLU A 68 -5.366 2.030 -4.295 1.00 0.00 C ATOM 981 O GLU A 68 -6.212 2.077 -3.400 1.00 0.00 O ATOM 982 CB GLU A 68 -5.026 0.299 -6.069 1.00 0.00 C ATOM 983 CG GLU A 68 -5.368 -0.221 -7.456 1.00 0.00 C ATOM 984 CD GLU A 68 -6.722 -0.901 -7.506 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.679 -0.358 -6.916 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.824 -1.975 -8.135 1.00 0.00 O ATOM 0 H GLU A 68 -4.675 2.401 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.823 1.432 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.950 0.460 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.278 -0.463 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.355 0.608 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.600 -0.925 -7.776 1.00 0.00 H new ATOM 993 N ILE A 69 -4.090 2.341 -4.101 1.00 0.00 N ATOM 994 CA ILE A 69 -3.597 2.767 -2.796 1.00 0.00 C ATOM 995 C ILE A 69 -4.434 3.913 -2.240 1.00 0.00 C ATOM 996 O ILE A 69 -4.690 3.982 -1.039 1.00 0.00 O ATOM 997 CB ILE A 69 -2.123 3.210 -2.868 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.253 2.076 -3.412 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.634 3.648 -1.496 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.039 2.557 -4.174 1.00 0.00 C ATOM 0 H ILE A 69 -3.378 2.306 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.677 1.906 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.047 4.059 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.926 1.450 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.857 1.448 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.591 3.958 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.239 4.484 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.721 2.817 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.531 1.699 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.358 3.159 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.587 3.161 -3.517 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.858 4.812 -3.123 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.668 5.955 -2.720 1.00 0.00 C ATOM 1014 C GLU A 70 -6.923 5.501 -1.981 1.00 0.00 C ATOM 1015 O GLU A 70 -7.143 5.864 -0.825 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.058 6.790 -3.942 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.871 8.027 -3.601 1.00 0.00 C ATOM 1018 CD GLU A 70 -6.160 8.941 -2.622 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -5.304 9.735 -3.066 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -6.460 8.863 -1.412 1.00 0.00 O ATOM 0 H GLU A 70 -4.654 4.771 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.071 6.568 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.153 7.094 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.631 6.167 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.087 8.579 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.829 7.723 -3.178 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.742 4.702 -2.656 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.977 4.196 -2.065 1.00 0.00 C ATOM 1029 C CYS A 71 -8.678 3.252 -0.904 1.00 0.00 C ATOM 1030 O CYS A 71 -9.370 3.263 0.112 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.816 3.475 -3.121 1.00 0.00 C ATOM 1032 SG CYS A 71 -9.016 2.015 -3.827 1.00 0.00 S ATOM 0 H CYS A 71 -7.574 4.390 -3.613 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.541 5.046 -1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.765 3.176 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.048 4.174 -3.925 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.730 2.200 -3.863 1.00 0.00 H new ATOM 1038 N MET A 72 -7.641 2.437 -1.065 1.00 0.00 N ATOM 1039 CA MET A 72 -7.250 1.485 -0.031 1.00 0.00 C ATOM 1040 C MET A 72 -7.097 2.181 1.318 1.00 0.00 C ATOM 1041 O MET A 72 -7.848 1.912 2.256 1.00 0.00 O ATOM 1042 CB MET A 72 -5.941 0.793 -0.413 1.00 0.00 C ATOM 1043 CG MET A 72 -5.770 -0.577 0.223 1.00 0.00 C ATOM 1044 SD MET A 72 -6.433 -1.906 -0.801 1.00 0.00 S ATOM 1045 CE MET A 72 -5.173 -2.016 -2.070 1.00 0.00 C ATOM 0 H MET A 72 -7.056 2.416 -1.901 1.00 0.00 H new ATOM 0 HA MET A 72 -8.037 0.735 0.054 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.897 0.689 -1.497 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.105 1.428 -0.120 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.711 -0.759 0.406 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.268 -0.588 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.394 -2.854 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.158 -1.092 -2.648 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.200 -2.168 -1.604 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.119 3.077 1.409 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.868 3.812 2.642 1.00 0.00 C ATOM 1057 C VAL A 73 -6.642 5.126 2.666 1.00 0.00 C ATOM 1058 O VAL A 73 -7.218 5.538 1.660 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.368 4.109 2.823 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.555 2.827 2.730 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.898 5.124 1.792 1.00 0.00 C ATOM 0 H VAL A 73 -5.488 3.311 0.643 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.207 3.179 3.462 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.217 4.536 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.497 3.057 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.875 2.136 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.709 2.368 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.836 5.322 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.062 4.727 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.459 6.051 1.912 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.649 5.781 3.823 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.350 7.050 3.978 1.00 0.00 C ATOM 1073 C ALA A 74 -6.415 8.227 3.724 1.00 0.00 C ATOM 1074 O ALA A 74 -5.203 8.123 3.915 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.961 7.149 5.367 1.00 0.00 C ATOM 0 H ALA A 74 -6.177 5.454 4.666 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.150 7.088 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.481 8.101 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.668 6.332 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.172 7.084 6.117 1.00 0.00 H new ATOM 1081 N ALA A 75 -6.985 9.348 3.290 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.202 10.545 3.011 1.00 0.00 C ATOM 1083 C ALA A 75 -5.105 10.738 4.053 1.00 0.00 C ATOM 1084 O ALA A 75 -3.940 10.938 3.709 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.107 11.766 2.962 1.00 0.00 C ATOM 0 H ALA A 75 -7.986 9.451 3.124 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.725 10.420 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.510 12.653 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.851 11.636 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.610 11.885 3.922 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.485 10.678 5.325 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.532 10.849 6.415 1.00 0.00 C ATOM 1093 C GLU A 76 -3.258 10.051 6.154 1.00 0.00 C ATOM 1094 O GLU A 76 -2.151 10.530 6.406 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.157 10.412 7.742 1.00 0.00 C ATOM 1096 CG GLU A 76 -4.136 10.112 8.826 1.00 0.00 C ATOM 1097 CD GLU A 76 -3.030 11.148 8.887 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -3.348 12.356 8.901 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -1.846 10.751 8.918 1.00 0.00 O ATOM 0 H GLU A 76 -6.445 10.512 5.626 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.273 11.906 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.828 11.196 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.766 9.524 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.639 10.066 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.699 9.130 8.647 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.422 8.834 5.647 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.286 7.970 5.351 1.00 0.00 C ATOM 1108 C ILE A 77 -1.762 8.215 3.940 1.00 0.00 C ATOM 1109 O ILE A 77 -0.595 8.557 3.750 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.656 6.483 5.497 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.176 6.202 6.909 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.452 5.604 5.186 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.093 6.209 7.965 1.00 0.00 C ATOM 0 H ILE A 77 -4.331 8.424 5.433 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.507 8.215 6.073 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.447 6.248 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.927 6.949 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.674 5.233 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.730 4.555 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.121 5.789 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.642 5.838 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.534 6.003 8.940 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.353 5.443 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.610 7.186 7.985 1.00 0.00 H new ATOM 1125 N MET A 78 -2.634 8.039 2.952 1.00 0.00 N ATOM 1126 CA MET A 78 -2.261 8.244 1.558 1.00 0.00 C ATOM 1127 C MET A 78 -1.268 9.394 1.424 1.00 0.00 C ATOM 1128 O MET A 78 -0.306 9.309 0.660 1.00 0.00 O ATOM 1129 CB MET A 78 -3.503 8.528 0.711 1.00 0.00 C ATOM 1130 CG MET A 78 -3.224 8.569 -0.783 1.00 0.00 C ATOM 1131 SD MET A 78 -2.494 7.038 -1.396 1.00 0.00 S ATOM 1132 CE MET A 78 -1.785 7.595 -2.942 1.00 0.00 C ATOM 0 H MET A 78 -3.604 7.755 3.092 1.00 0.00 H new ATOM 0 HA MET A 78 -1.785 7.332 1.198 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.252 7.762 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.932 9.482 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.154 8.763 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.553 9.400 -1.001 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.716 6.756 -3.634 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.418 8.370 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.789 7.999 -2.761 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.506 10.467 2.171 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.632 11.633 2.135 1.00 0.00 C ATOM 1144 C GLN A 79 0.828 11.224 2.295 1.00 0.00 C ATOM 1145 O GLN A 79 1.690 11.651 1.527 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.020 12.623 3.235 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.556 14.045 2.967 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.290 14.689 1.808 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.464 14.406 1.567 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.601 15.563 1.083 1.00 0.00 N ATOM 0 H GLN A 79 -2.297 10.553 2.809 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.751 12.115 1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.104 12.619 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.598 12.285 4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.703 14.646 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.514 14.041 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.370 15.768 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.043 16.029 0.291 1.00 0.00 H new ATOM 1159 N ARG A 80 1.099 10.395 3.298 1.00 0.00 N ATOM 1160 CA ARG A 80 2.456 9.929 3.559 1.00 0.00 C ATOM 1161 C ARG A 80 3.071 9.317 2.304 1.00 0.00 C ATOM 1162 O ARG A 80 4.139 9.734 1.856 1.00 0.00 O ATOM 1163 CB ARG A 80 2.456 8.904 4.694 1.00 0.00 C ATOM 1164 CG ARG A 80 1.888 9.438 5.998 1.00 0.00 C ATOM 1165 CD ARG A 80 2.278 8.561 7.177 1.00 0.00 C ATOM 1166 NE ARG A 80 3.604 8.897 7.693 1.00 0.00 N ATOM 1167 CZ ARG A 80 4.721 8.303 7.288 1.00 0.00 C ATOM 1168 NH1 ARG A 80 4.674 7.351 6.367 1.00 0.00 N ATOM 1169 NH2 ARG A 80 5.889 8.664 7.806 1.00 0.00 N ATOM 0 H ARG A 80 0.397 10.032 3.943 1.00 0.00 H new ATOM 0 HA ARG A 80 3.058 10.788 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.878 8.033 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.477 8.564 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.248 10.453 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.802 9.492 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.540 8.673 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.262 7.515 6.872 1.00 0.00 H new ATOM 0 HE ARG A 80 3.675 9.627 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.778 7.072 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.534 6.897 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.928 9.397 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.747 8.208 7.496 1.00 0.00 H new ATOM 1183 N TYR A 81 2.392 8.323 1.743 1.00 0.00 N ATOM 1184 CA TYR A 81 2.872 7.650 0.543 1.00 0.00 C ATOM 1185 C TYR A 81 3.221 8.660 -0.546 1.00 0.00 C ATOM 1186 O TYR A 81 4.342 8.681 -1.055 1.00 0.00 O ATOM 1187 CB TYR A 81 1.818 6.669 0.025 1.00 0.00 C ATOM 1188 CG TYR A 81 2.258 5.899 -1.199 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.474 5.228 -1.222 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.457 5.843 -2.333 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.880 4.522 -2.339 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.854 5.139 -3.454 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.066 4.481 -3.452 1.00 0.00 C ATOM 1194 OH TYR A 81 3.466 3.780 -4.567 1.00 0.00 O ATOM 0 H TYR A 81 1.506 7.965 2.101 1.00 0.00 H new ATOM 0 HA TYR A 81 3.775 7.098 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.569 5.964 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.906 7.219 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.113 5.258 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.508 6.358 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.829 4.006 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.219 5.104 -4.327 1.00 0.00 H new ATOM 0 HH TYR A 81 2.779 3.851 -5.262 1.00 0.00 H new ATOM 1204 N LYS A 82 2.252 9.499 -0.898 1.00 0.00 N ATOM 1205 CA LYS A 82 2.454 10.515 -1.924 1.00 0.00 C ATOM 1206 C LYS A 82 3.665 11.382 -1.600 1.00 0.00 C ATOM 1207 O LYS A 82 4.482 11.679 -2.473 1.00 0.00 O ATOM 1208 CB LYS A 82 1.206 11.391 -2.056 1.00 0.00 C ATOM 1209 CG LYS A 82 0.063 10.714 -2.793 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.831 11.729 -3.486 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.473 11.145 -4.736 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.747 11.835 -5.079 1.00 0.00 N ATOM 0 H LYS A 82 1.318 9.495 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 82 2.636 10.008 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.866 11.677 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.471 12.310 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.465 10.019 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.528 10.127 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.608 12.061 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.245 12.609 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.779 11.227 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.665 10.083 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.153 11.408 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.419 11.736 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.560 12.844 -5.250 1.00 0.00 H new ATOM 1226 N LYS A 83 3.777 11.786 -0.339 1.00 0.00 N ATOM 1227 CA LYS A 83 4.891 12.618 0.103 1.00 0.00 C ATOM 1228 C LYS A 83 6.222 11.903 -0.109 1.00 0.00 C ATOM 1229 O LYS A 83 7.146 12.456 -0.707 1.00 0.00 O ATOM 1230 CB LYS A 83 4.726 12.984 1.580 1.00 0.00 C ATOM 1231 CG LYS A 83 5.869 13.820 2.130 1.00 0.00 C ATOM 1232 CD LYS A 83 5.507 14.449 3.464 1.00 0.00 C ATOM 1233 CE LYS A 83 6.420 15.620 3.795 1.00 0.00 C ATOM 1234 NZ LYS A 83 5.887 16.906 3.265 1.00 0.00 N ATOM 0 H LYS A 83 3.110 11.551 0.396 1.00 0.00 H new ATOM 0 HA LYS A 83 4.890 13.530 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.792 13.531 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.642 12.068 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.754 13.195 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.126 14.602 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.472 14.790 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.576 13.699 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.538 15.694 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.410 15.438 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.537 17.679 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.798 16.845 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.953 17.093 3.683 1.00 0.00 H new ATOM 1248 N LEU A 84 6.311 10.672 0.382 1.00 0.00 N ATOM 1249 CA LEU A 84 7.529 9.880 0.244 1.00 0.00 C ATOM 1250 C LEU A 84 8.043 9.916 -1.191 1.00 0.00 C ATOM 1251 O LEU A 84 9.229 10.140 -1.430 1.00 0.00 O ATOM 1252 CB LEU A 84 7.271 8.434 0.670 1.00 0.00 C ATOM 1253 CG LEU A 84 6.989 8.211 2.156 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.578 6.770 2.411 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.209 8.575 2.991 1.00 0.00 C ATOM 0 H LEU A 84 5.555 10.201 0.879 1.00 0.00 H new ATOM 0 HA LEU A 84 8.290 10.313 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.424 8.054 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.138 7.834 0.391 1.00 0.00 H new ATOM 0 HG LEU A 84 6.164 8.860 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.381 6.630 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.676 6.543 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.381 6.102 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.990 8.410 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.052 7.952 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.459 9.624 2.832 1.00 0.00 H new ATOM 1267 N GLN A 85 7.141 9.697 -2.143 1.00 0.00 N ATOM 1268 CA GLN A 85 7.505 9.706 -3.555 1.00 0.00 C ATOM 1269 C GLN A 85 8.014 11.081 -3.977 1.00 0.00 C ATOM 1270 O GLN A 85 9.090 11.202 -4.563 1.00 0.00 O ATOM 1271 CB GLN A 85 6.303 9.309 -4.415 1.00 0.00 C ATOM 1272 CG GLN A 85 6.083 7.807 -4.496 1.00 0.00 C ATOM 1273 CD GLN A 85 5.450 7.380 -5.806 1.00 0.00 C ATOM 1274 OE1 GLN A 85 5.623 8.035 -6.834 1.00 0.00 O ATOM 1275 NE2 GLN A 85 4.714 6.277 -5.775 1.00 0.00 N ATOM 0 H GLN A 85 6.154 9.511 -1.962 1.00 0.00 H new ATOM 0 HA GLN A 85 8.305 8.981 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.406 9.778 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.441 9.702 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.038 7.297 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.446 7.492 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.598 5.766 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.264 5.940 -6.626 1.00 0.00 H new ATOM 1284 N PHE A 86 7.235 12.114 -3.675 1.00 0.00 N ATOM 1285 CA PHE A 86 7.608 13.480 -4.025 1.00 0.00 C ATOM 1286 C PHE A 86 9.094 13.719 -3.775 1.00 0.00 C ATOM 1287 O PHE A 86 9.803 14.231 -4.641 1.00 0.00 O ATOM 1288 CB PHE A 86 6.776 14.480 -3.218 1.00 0.00 C ATOM 1289 CG PHE A 86 7.428 15.826 -3.079 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.299 16.779 -4.077 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.168 16.139 -1.950 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.897 18.019 -3.951 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.767 17.377 -1.820 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.633 18.318 -2.821 1.00 0.00 C ATOM 0 H PHE A 86 6.342 12.032 -3.189 1.00 0.00 H new ATOM 0 HA PHE A 86 7.409 13.624 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.805 14.603 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.592 14.070 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.725 16.550 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.278 15.407 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.789 18.753 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.340 17.609 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.102 19.285 -2.721 1.00 0.00 H new ATOM 1304 N GLU A 87 9.556 13.346 -2.587 1.00 0.00 N ATOM 1305 CA GLU A 87 10.957 13.522 -2.223 1.00 0.00 C ATOM 1306 C GLU A 87 11.873 12.891 -3.269 1.00 0.00 C ATOM 1307 O GLU A 87 12.837 13.509 -3.719 1.00 0.00 O ATOM 1308 CB GLU A 87 11.232 12.905 -0.850 1.00 0.00 C ATOM 1309 CG GLU A 87 10.796 13.785 0.310 1.00 0.00 C ATOM 1310 CD GLU A 87 11.544 13.474 1.591 1.00 0.00 C ATOM 1311 OE1 GLU A 87 11.211 12.464 2.244 1.00 0.00 O ATOM 1312 OE2 GLU A 87 12.465 14.242 1.941 1.00 0.00 O ATOM 0 H GLU A 87 8.981 12.920 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 87 11.164 14.591 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.717 11.947 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.299 12.701 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.953 14.831 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.727 13.656 0.477 1.00 0.00 H new ATOM 1319 N ARG A 88 11.565 11.654 -3.648 1.00 0.00 N ATOM 1320 CA ARG A 88 12.360 10.939 -4.638 1.00 0.00 C ATOM 1321 C ARG A 88 11.532 10.628 -5.881 1.00 0.00 C ATOM 1322 O ARG A 88 10.941 9.555 -5.993 1.00 0.00 O ATOM 1323 CB ARG A 88 12.909 9.642 -4.041 1.00 0.00 C ATOM 1324 CG ARG A 88 14.129 9.846 -3.157 1.00 0.00 C ATOM 1325 CD ARG A 88 14.508 8.567 -2.426 1.00 0.00 C ATOM 1326 NE ARG A 88 15.924 8.539 -2.070 1.00 0.00 N ATOM 1327 CZ ARG A 88 16.891 8.230 -2.926 1.00 0.00 C ATOM 1328 NH1 ARG A 88 16.596 7.925 -4.182 1.00 0.00 N ATOM 1329 NH2 ARG A 88 18.156 8.227 -2.528 1.00 0.00 N ATOM 0 H ARG A 88 10.771 11.127 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 88 13.193 11.579 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.125 9.160 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.168 8.960 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.969 10.181 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.927 10.634 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.905 8.474 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.275 7.708 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 88 16.185 8.769 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.624 7.927 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.341 7.688 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.388 8.462 -1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.897 7.989 -3.187 1.00 0.00 H new ATOM 1343 N SER A 89 11.493 11.576 -6.812 1.00 0.00 N ATOM 1344 CA SER A 89 10.733 11.406 -8.044 1.00 0.00 C ATOM 1345 C SER A 89 11.420 12.114 -9.208 1.00 0.00 C ATOM 1346 O SER A 89 11.463 13.342 -9.265 1.00 0.00 O ATOM 1347 CB SER A 89 9.312 11.947 -7.871 1.00 0.00 C ATOM 1348 OG SER A 89 8.444 11.425 -8.861 1.00 0.00 O ATOM 0 H SER A 89 11.979 12.470 -6.736 1.00 0.00 H new ATOM 0 HA SER A 89 10.684 10.340 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.938 11.686 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.324 13.035 -7.931 1.00 0.00 H new ATOM 0 HG SER A 89 7.542 11.784 -8.728 1.00 0.00 H new ATOM 1354 N GLY A 90 11.957 11.328 -10.137 1.00 0.00 N ATOM 1355 CA GLY A 90 12.635 11.896 -11.287 1.00 0.00 C ATOM 1356 C GLY A 90 13.607 10.923 -11.926 1.00 0.00 C ATOM 1357 O GLY A 90 13.225 10.063 -12.720 1.00 0.00 O ATOM 0 H GLY A 90 11.934 10.309 -10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.895 12.204 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.172 12.794 -10.981 1.00 0.00 H new ATOM 1361 N PRO A 91 14.896 11.054 -11.579 1.00 0.00 N ATOM 1362 CA PRO A 91 15.951 10.187 -12.113 1.00 0.00 C ATOM 1363 C PRO A 91 15.853 8.760 -11.586 1.00 0.00 C ATOM 1364 O PRO A 91 15.628 8.542 -10.396 1.00 0.00 O ATOM 1365 CB PRO A 91 17.239 10.852 -11.620 1.00 0.00 C ATOM 1366 CG PRO A 91 16.835 11.599 -10.397 1.00 0.00 C ATOM 1367 CD PRO A 91 15.422 12.056 -10.637 1.00 0.00 C ATOM 0 HA PRO A 91 15.891 10.093 -13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 91 18.006 10.111 -11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 91 17.653 11.521 -12.374 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.894 10.963 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 91 17.495 12.448 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.845 12.081 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.391 13.060 -11.059 1.00 0.00 H new ATOM 1375 N SER A 92 16.023 7.791 -12.480 1.00 0.00 N ATOM 1376 CA SER A 92 15.950 6.384 -12.106 1.00 0.00 C ATOM 1377 C SER A 92 17.053 5.582 -12.787 1.00 0.00 C ATOM 1378 O SER A 92 16.983 5.301 -13.984 1.00 0.00 O ATOM 1379 CB SER A 92 14.581 5.806 -12.474 1.00 0.00 C ATOM 1380 OG SER A 92 14.384 5.819 -13.877 1.00 0.00 O ATOM 0 H SER A 92 16.212 7.955 -13.469 1.00 0.00 H new ATOM 0 HA SER A 92 16.088 6.314 -11.027 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.502 4.785 -12.102 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.796 6.384 -11.988 1.00 0.00 H new ATOM 0 HG SER A 92 15.241 5.675 -14.329 1.00 0.00 H new ATOM 1386 N SER A 93 18.073 5.215 -12.017 1.00 0.00 N ATOM 1387 CA SER A 93 19.194 4.449 -12.547 1.00 0.00 C ATOM 1388 C SER A 93 18.723 3.107 -13.097 1.00 0.00 C ATOM 1389 O SER A 93 19.088 2.715 -14.205 1.00 0.00 O ATOM 1390 CB SER A 93 20.246 4.226 -11.459 1.00 0.00 C ATOM 1391 OG SER A 93 20.733 5.460 -10.959 1.00 0.00 O ATOM 0 H SER A 93 18.146 5.436 -11.024 1.00 0.00 H new ATOM 0 HA SER A 93 19.639 5.020 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.813 3.645 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.073 3.642 -11.863 1.00 0.00 H new ATOM 0 HG SER A 93 21.403 5.290 -10.264 1.00 0.00 H new ATOM 1397 N GLY A 94 17.909 2.406 -12.314 1.00 0.00 N ATOM 1398 CA GLY A 94 17.401 1.115 -12.738 1.00 0.00 C ATOM 1399 C GLY A 94 18.180 -0.041 -12.142 1.00 0.00 C ATOM 1400 O GLY A 94 19.280 -0.327 -12.611 1.00 0.00 O ATOM 0 H GLY A 94 17.592 2.709 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 94 16.353 1.029 -12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.440 1.052 -13.826 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.530 -11.964 3.254 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 1.954 -9.874 -7.639 1.00 0.00 ZN