USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 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 65 GLN : amide:sc= -0.921 X(o=-0.99,f=-0.84) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0725 K(o=-0.99,f=-4.9!) 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 35:sc= 0.502 USER MOD Single : A 5 SER OG : rot 24:sc= 0.92 USER MOD Single : A 6 SER OG : rot 150:sc=-0.00585 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0275) USER MOD Single : A 15 TYR OH : rot 25:sc= 0.194 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -163:sc= -1.58 (180deg=-3.48!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 25 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.9!) USER MOD Single : A 27 GLN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.0019) USER MOD Single : A 38 TYR OH : rot -170:sc= 1.05 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.937 (180deg=-1.94!) 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+ -169:sc= 0.118 (180deg=0.0184) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.45! K(o=-1.5!,f=-2.1) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 175:sc= -1.08 (180deg=-1.16) USER MOD Single : A 78 MET CE :methyl -149:sc= -0.0241 (180deg=-3.01!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= -0.036 (180deg=-1.11) USER MOD Single : A 85 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 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 -25.718 -23.758 -7.012 1.00 0.00 N ATOM 2 CA GLY A 1 -24.385 -23.507 -7.529 1.00 0.00 C ATOM 3 C GLY A 1 -23.703 -22.344 -6.834 1.00 0.00 C ATOM 4 O GLY A 1 -23.264 -21.395 -7.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.141 -24.561 -7.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.661 -23.980 -5.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.308 -22.913 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.778 -24.404 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.446 -23.303 -8.598 1.00 0.00 H new ATOM 8 N SER A 2 -23.617 -22.416 -5.511 1.00 0.00 N ATOM 9 CA SER A 2 -22.989 -21.358 -4.727 1.00 0.00 C ATOM 10 C SER A 2 -21.524 -21.191 -5.116 1.00 0.00 C ATOM 11 O SER A 2 -20.715 -22.101 -4.938 1.00 0.00 O ATOM 12 CB SER A 2 -23.101 -21.667 -3.233 1.00 0.00 C ATOM 13 OG SER A 2 -24.456 -21.750 -2.828 1.00 0.00 O ATOM 0 H SER A 2 -23.974 -23.195 -4.958 1.00 0.00 H new ATOM 0 HA SER A 2 -23.511 -20.424 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.595 -22.607 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.594 -20.891 -2.659 1.00 0.00 H new ATOM 0 HG SER A 2 -24.499 -21.950 -1.870 1.00 0.00 H new ATOM 19 N SER A 3 -21.190 -20.019 -5.649 1.00 0.00 N ATOM 20 CA SER A 3 -19.823 -19.732 -6.068 1.00 0.00 C ATOM 21 C SER A 3 -19.453 -18.284 -5.758 1.00 0.00 C ATOM 22 O SER A 3 -20.007 -17.353 -6.339 1.00 0.00 O ATOM 23 CB SER A 3 -19.657 -20.004 -7.564 1.00 0.00 C ATOM 24 OG SER A 3 -20.582 -19.246 -8.325 1.00 0.00 O ATOM 0 H SER A 3 -21.847 -19.254 -5.801 1.00 0.00 H new ATOM 0 HA SER A 3 -19.153 -20.387 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.640 -19.758 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.802 -21.066 -7.762 1.00 0.00 H new ATOM 0 HG SER A 3 -20.723 -18.376 -7.897 1.00 0.00 H new ATOM 30 N GLY A 4 -18.511 -18.105 -4.838 1.00 0.00 N ATOM 31 CA GLY A 4 -18.083 -16.769 -4.465 1.00 0.00 C ATOM 32 C GLY A 4 -16.913 -16.783 -3.502 1.00 0.00 C ATOM 33 O GLY A 4 -17.076 -16.510 -2.312 1.00 0.00 O ATOM 0 H GLY A 4 -18.036 -18.861 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.804 -16.216 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.918 -16.237 -4.009 1.00 0.00 H new ATOM 37 N SER A 5 -15.729 -17.104 -4.015 1.00 0.00 N ATOM 38 CA SER A 5 -14.528 -17.158 -3.190 1.00 0.00 C ATOM 39 C SER A 5 -13.273 -17.082 -4.053 1.00 0.00 C ATOM 40 O SER A 5 -12.954 -18.015 -4.789 1.00 0.00 O ATOM 41 CB SER A 5 -14.512 -18.442 -2.358 1.00 0.00 C ATOM 42 OG SER A 5 -14.388 -19.585 -3.187 1.00 0.00 O ATOM 0 H SER A 5 -15.576 -17.330 -4.998 1.00 0.00 H new ATOM 0 HA SER A 5 -14.539 -16.299 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.683 -18.410 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.429 -18.511 -1.772 1.00 0.00 H new ATOM 0 HG SER A 5 -13.968 -19.330 -4.035 1.00 0.00 H new ATOM 48 N SER A 6 -12.562 -15.962 -3.956 1.00 0.00 N ATOM 49 CA SER A 6 -11.344 -15.760 -4.731 1.00 0.00 C ATOM 50 C SER A 6 -10.124 -16.274 -3.969 1.00 0.00 C ATOM 51 O SER A 6 -9.074 -16.527 -4.556 1.00 0.00 O ATOM 52 CB SER A 6 -11.163 -14.278 -5.063 1.00 0.00 C ATOM 53 OG SER A 6 -10.144 -14.092 -6.029 1.00 0.00 O ATOM 0 H SER A 6 -12.809 -15.181 -3.348 1.00 0.00 H new ATOM 0 HA SER A 6 -11.437 -16.324 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.102 -13.869 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.914 -13.727 -4.156 1.00 0.00 H new ATOM 0 HG SER A 6 -10.343 -13.297 -6.566 1.00 0.00 H new ATOM 59 N GLY A 7 -10.276 -16.425 -2.657 1.00 0.00 N ATOM 60 CA GLY A 7 -9.180 -16.908 -1.835 1.00 0.00 C ATOM 61 C GLY A 7 -8.024 -15.929 -1.777 1.00 0.00 C ATOM 62 O GLY A 7 -7.924 -15.026 -2.609 1.00 0.00 O ATOM 0 H GLY A 7 -11.137 -16.222 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.543 -17.097 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.826 -17.860 -2.230 1.00 0.00 H new ATOM 66 N CYS A 8 -7.150 -16.106 -0.793 1.00 0.00 N ATOM 67 CA CYS A 8 -5.996 -15.231 -0.627 1.00 0.00 C ATOM 68 C CYS A 8 -4.701 -16.038 -0.598 1.00 0.00 C ATOM 69 O CYS A 8 -4.718 -17.256 -0.417 1.00 0.00 O ATOM 70 CB CYS A 8 -6.130 -14.414 0.659 1.00 0.00 C ATOM 71 SG CYS A 8 -4.846 -13.137 0.865 1.00 0.00 S ATOM 0 H CYS A 8 -7.219 -16.849 -0.097 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.961 -14.552 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.109 -13.935 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.094 -15.091 1.512 1.00 0.00 H new ATOM 76 N LYS A 9 -3.578 -15.351 -0.778 1.00 0.00 N ATOM 77 CA LYS A 9 -2.273 -16.001 -0.771 1.00 0.00 C ATOM 78 C LYS A 9 -1.559 -15.774 0.557 1.00 0.00 C ATOM 79 O LYS A 9 -0.804 -16.628 1.022 1.00 0.00 O ATOM 80 CB LYS A 9 -1.412 -15.474 -1.921 1.00 0.00 C ATOM 81 CG LYS A 9 -1.976 -15.786 -3.296 1.00 0.00 C ATOM 82 CD LYS A 9 -0.946 -15.552 -4.389 1.00 0.00 C ATOM 83 CE LYS A 9 0.097 -16.658 -4.418 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.437 -17.908 -5.026 1.00 0.00 N ATOM 0 H LYS A 9 -3.546 -14.343 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.428 -17.072 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.305 -14.394 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.413 -15.903 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.310 -16.823 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.851 -15.163 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.446 -15.497 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.455 -14.592 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.967 -16.322 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.436 -16.864 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.337 -18.591 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.161 -18.316 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.861 -17.691 -5.951 1.00 0.00 H new ATOM 98 N LEU A 10 -1.805 -14.619 1.166 1.00 0.00 N ATOM 99 CA LEU A 10 -1.186 -14.280 2.443 1.00 0.00 C ATOM 100 C LEU A 10 -1.867 -15.020 3.591 1.00 0.00 C ATOM 101 O LEU A 10 -1.327 -15.987 4.127 1.00 0.00 O ATOM 102 CB LEU A 10 -1.255 -12.771 2.682 1.00 0.00 C ATOM 103 CG LEU A 10 -0.482 -11.899 1.691 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.150 -10.541 1.541 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.963 -11.738 2.138 1.00 0.00 C ATOM 0 H LEU A 10 -2.429 -13.902 0.796 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.141 -14.588 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.302 -12.468 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.882 -12.565 3.685 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.488 -12.393 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.586 -9.934 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.168 -10.675 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.175 -10.039 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.498 -11.115 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.990 -11.266 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.438 -12.717 2.193 1.00 0.00 H new ATOM 117 N CYS A 11 -3.057 -14.558 3.962 1.00 0.00 N ATOM 118 CA CYS A 11 -3.813 -15.176 5.044 1.00 0.00 C ATOM 119 C CYS A 11 -4.397 -16.515 4.603 1.00 0.00 C ATOM 120 O CYS A 11 -4.830 -17.319 5.432 1.00 0.00 O ATOM 121 CB CYS A 11 -4.936 -14.245 5.505 1.00 0.00 C ATOM 122 SG CYS A 11 -6.156 -13.852 4.210 1.00 0.00 S ATOM 0 H CYS A 11 -3.518 -13.758 3.529 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.131 -15.353 5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.452 -14.705 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.497 -13.316 5.869 1.00 0.00 H new ATOM 127 N LEU A 12 -4.406 -16.750 3.297 1.00 0.00 N ATOM 128 CA LEU A 12 -4.936 -17.993 2.745 1.00 0.00 C ATOM 129 C LEU A 12 -6.294 -18.323 3.355 1.00 0.00 C ATOM 130 O LEU A 12 -6.538 -19.452 3.779 1.00 0.00 O ATOM 131 CB LEU A 12 -3.958 -19.142 2.996 1.00 0.00 C ATOM 132 CG LEU A 12 -2.524 -18.921 2.516 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.553 -19.763 3.330 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.401 -19.245 1.035 1.00 0.00 C ATOM 0 H LEU A 12 -4.052 -16.096 2.599 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.064 -17.861 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.934 -19.344 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.348 -20.037 2.511 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.271 -17.870 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.537 -19.593 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.621 -19.483 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.804 -20.818 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.373 -19.082 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.673 -20.287 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.068 -18.599 0.465 1.00 0.00 H new ATOM 146 N GLY A 13 -7.177 -17.330 3.393 1.00 0.00 N ATOM 147 CA GLY A 13 -8.501 -17.535 3.950 1.00 0.00 C ATOM 148 C GLY A 13 -9.566 -17.672 2.881 1.00 0.00 C ATOM 149 O GLY A 13 -9.256 -17.938 1.719 1.00 0.00 O ATOM 0 H GLY A 13 -6.999 -16.387 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.496 -18.431 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.751 -16.698 4.602 1.00 0.00 H new ATOM 153 N GLU A 14 -10.824 -17.492 3.271 1.00 0.00 N ATOM 154 CA GLU A 14 -11.937 -17.601 2.337 1.00 0.00 C ATOM 155 C GLU A 14 -12.845 -16.378 2.429 1.00 0.00 C ATOM 156 O GLU A 14 -13.466 -16.128 3.462 1.00 0.00 O ATOM 157 CB GLU A 14 -12.744 -18.871 2.615 1.00 0.00 C ATOM 158 CG GLU A 14 -13.430 -19.437 1.384 1.00 0.00 C ATOM 159 CD GLU A 14 -14.634 -20.293 1.728 1.00 0.00 C ATOM 160 OE1 GLU A 14 -15.703 -19.721 2.023 1.00 0.00 O ATOM 161 OE2 GLU A 14 -14.506 -21.536 1.704 1.00 0.00 O ATOM 0 H GLU A 14 -11.097 -17.270 4.228 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.527 -17.654 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.081 -19.629 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.497 -18.654 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.745 -18.617 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.715 -20.033 0.816 1.00 0.00 H new ATOM 168 N TYR A 15 -12.916 -15.618 1.340 1.00 0.00 N ATOM 169 CA TYR A 15 -13.745 -14.420 1.298 1.00 0.00 C ATOM 170 C TYR A 15 -14.352 -14.227 -0.088 1.00 0.00 C ATOM 171 O TYR A 15 -13.783 -14.625 -1.105 1.00 0.00 O ATOM 172 CB TYR A 15 -12.921 -13.191 1.682 1.00 0.00 C ATOM 173 CG TYR A 15 -11.942 -13.444 2.806 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.674 -13.947 2.548 1.00 0.00 C ATOM 175 CD2 TYR A 15 -12.287 -13.184 4.127 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.775 -14.182 3.572 1.00 0.00 C ATOM 177 CE2 TYR A 15 -11.396 -13.414 5.156 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.142 -13.913 4.874 1.00 0.00 C ATOM 179 OH TYR A 15 -9.250 -14.145 5.897 1.00 0.00 O ATOM 0 H TYR A 15 -12.409 -15.811 0.476 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.556 -14.544 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.373 -12.843 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.597 -12.388 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.385 -14.159 1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.269 -12.795 4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.792 -14.573 3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.680 -13.204 6.177 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.335 -14.106 5.548 1.00 0.00 H new ATOM 189 N PRO A 16 -15.537 -13.598 -0.133 1.00 0.00 N ATOM 190 CA PRO A 16 -16.248 -13.335 -1.387 1.00 0.00 C ATOM 191 C PRO A 16 -15.547 -12.283 -2.240 1.00 0.00 C ATOM 192 O PRO A 16 -15.141 -11.235 -1.741 1.00 0.00 O ATOM 193 CB PRO A 16 -17.613 -12.824 -0.921 1.00 0.00 C ATOM 194 CG PRO A 16 -17.362 -12.255 0.433 1.00 0.00 C ATOM 195 CD PRO A 16 -16.273 -13.096 1.040 1.00 0.00 C ATOM 0 HA PRO A 16 -16.303 -14.222 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.006 -12.069 -1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.345 -13.630 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.058 -11.210 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.265 -12.286 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.631 -12.509 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.681 -13.911 1.638 1.00 0.00 H new ATOM 203 N VAL A 17 -15.410 -12.570 -3.531 1.00 0.00 N ATOM 204 CA VAL A 17 -14.760 -11.648 -4.455 1.00 0.00 C ATOM 205 C VAL A 17 -15.156 -10.206 -4.160 1.00 0.00 C ATOM 206 O VAL A 17 -14.359 -9.285 -4.334 1.00 0.00 O ATOM 207 CB VAL A 17 -15.112 -11.977 -5.917 1.00 0.00 C ATOM 208 CG1 VAL A 17 -16.388 -11.261 -6.334 1.00 0.00 C ATOM 209 CG2 VAL A 17 -13.959 -11.609 -6.838 1.00 0.00 C ATOM 0 H VAL A 17 -15.741 -13.434 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.685 -11.763 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.284 -13.050 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.621 -11.506 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.210 -11.579 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.249 -10.184 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.225 -11.848 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.753 -10.542 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.071 -12.173 -6.552 1.00 0.00 H new ATOM 219 N GLU A 18 -16.394 -10.018 -3.712 1.00 0.00 N ATOM 220 CA GLU A 18 -16.896 -8.686 -3.394 1.00 0.00 C ATOM 221 C GLU A 18 -15.907 -7.928 -2.511 1.00 0.00 C ATOM 222 O GLU A 18 -15.615 -6.757 -2.752 1.00 0.00 O ATOM 223 CB GLU A 18 -18.252 -8.782 -2.692 1.00 0.00 C ATOM 224 CG GLU A 18 -19.319 -9.474 -3.524 1.00 0.00 C ATOM 225 CD GLU A 18 -20.726 -9.105 -3.092 1.00 0.00 C ATOM 226 OE1 GLU A 18 -21.183 -9.626 -2.054 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.367 -8.295 -3.794 1.00 0.00 O ATOM 0 H GLU A 18 -17.067 -10.770 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 18 -17.016 -8.139 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.128 -9.321 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.594 -7.778 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.184 -9.211 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.191 -10.554 -3.447 1.00 0.00 H new ATOM 234 N GLN A 19 -15.397 -8.606 -1.488 1.00 0.00 N ATOM 235 CA GLN A 19 -14.443 -7.997 -0.569 1.00 0.00 C ATOM 236 C GLN A 19 -13.011 -8.358 -0.952 1.00 0.00 C ATOM 237 O GLN A 19 -12.205 -8.727 -0.100 1.00 0.00 O ATOM 238 CB GLN A 19 -14.727 -8.445 0.866 1.00 0.00 C ATOM 239 CG GLN A 19 -16.010 -7.867 1.441 1.00 0.00 C ATOM 240 CD GLN A 19 -16.080 -7.989 2.951 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.737 -7.056 3.677 1.00 0.00 O ATOM 242 NE2 GLN A 19 -16.526 -9.144 3.431 1.00 0.00 N ATOM 0 H GLN A 19 -15.628 -9.576 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.556 -6.915 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.784 -9.533 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.890 -8.154 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.088 -6.816 1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.865 -8.379 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.800 -9.890 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.595 -9.285 4.439 1.00 0.00 H new ATOM 251 N MET A 20 -12.704 -8.248 -2.240 1.00 0.00 N ATOM 252 CA MET A 20 -11.369 -8.561 -2.736 1.00 0.00 C ATOM 253 C MET A 20 -10.957 -7.591 -3.839 1.00 0.00 C ATOM 254 O MET A 20 -11.802 -6.966 -4.478 1.00 0.00 O ATOM 255 CB MET A 20 -11.320 -9.998 -3.260 1.00 0.00 C ATOM 256 CG MET A 20 -11.872 -11.021 -2.279 1.00 0.00 C ATOM 257 SD MET A 20 -10.721 -11.394 -0.944 1.00 0.00 S ATOM 258 CE MET A 20 -9.298 -11.961 -1.871 1.00 0.00 C ATOM 0 H MET A 20 -13.361 -7.945 -2.959 1.00 0.00 H new ATOM 0 HA MET A 20 -10.668 -8.460 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.885 -10.057 -4.190 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.288 -10.255 -3.498 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.804 -10.647 -1.856 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.111 -11.940 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.625 -12.505 -1.208 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.626 -12.620 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.775 -11.104 -2.295 1.00 0.00 H new ATOM 268 N THR A 21 -9.651 -7.472 -4.058 1.00 0.00 N ATOM 269 CA THR A 21 -9.127 -6.578 -5.083 1.00 0.00 C ATOM 270 C THR A 21 -8.088 -7.281 -5.948 1.00 0.00 C ATOM 271 O THR A 21 -7.363 -8.159 -5.477 1.00 0.00 O ATOM 272 CB THR A 21 -8.492 -5.320 -4.459 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.378 -4.755 -3.487 1.00 0.00 O ATOM 274 CG2 THR A 21 -8.178 -4.285 -5.529 1.00 0.00 C ATOM 0 H THR A 21 -8.937 -7.984 -3.539 1.00 0.00 H new ATOM 0 HA THR A 21 -9.972 -6.281 -5.705 1.00 0.00 H new ATOM 0 HB THR A 21 -7.561 -5.612 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.967 -3.957 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.731 -3.406 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.480 -4.709 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.098 -3.998 -6.038 1.00 0.00 H new ATOM 282 N THR A 22 -8.019 -6.892 -7.217 1.00 0.00 N ATOM 283 CA THR A 22 -7.069 -7.486 -8.149 1.00 0.00 C ATOM 284 C THR A 22 -6.094 -6.441 -8.680 1.00 0.00 C ATOM 285 O THR A 22 -6.487 -5.319 -9.002 1.00 0.00 O ATOM 286 CB THR A 22 -7.789 -8.152 -9.337 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.628 -9.214 -8.868 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.784 -8.698 -10.341 1.00 0.00 C ATOM 0 H THR A 22 -8.611 -6.167 -7.623 1.00 0.00 H new ATOM 0 HA THR A 22 -6.517 -8.246 -7.597 1.00 0.00 H new ATOM 0 HB THR A 22 -8.401 -7.398 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.084 -9.631 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.315 -9.164 -11.171 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.166 -7.883 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.150 -9.439 -9.855 1.00 0.00 H new ATOM 296 N ILE A 23 -4.823 -6.817 -8.773 1.00 0.00 N ATOM 297 CA ILE A 23 -3.793 -5.913 -9.268 1.00 0.00 C ATOM 298 C ILE A 23 -3.528 -6.142 -10.752 1.00 0.00 C ATOM 299 O ILE A 23 -3.165 -7.242 -11.165 1.00 0.00 O ATOM 300 CB ILE A 23 -2.474 -6.081 -8.490 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.758 -6.294 -7.001 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.580 -4.869 -8.696 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.598 -6.903 -6.246 1.00 0.00 C ATOM 0 H ILE A 23 -4.482 -7.742 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.165 -4.899 -9.120 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.954 -6.960 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.013 -5.336 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.630 -6.940 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.652 -5.003 -8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.355 -4.759 -9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.091 -3.975 -8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.870 -7.025 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.356 -7.876 -6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.730 -6.248 -6.322 1.00 0.00 H new ATOM 315 N ALA A 24 -3.710 -5.093 -11.549 1.00 0.00 N ATOM 316 CA ALA A 24 -3.487 -5.178 -12.986 1.00 0.00 C ATOM 317 C ALA A 24 -1.999 -5.270 -13.307 1.00 0.00 C ATOM 318 O ALA A 24 -1.616 -5.618 -14.423 1.00 0.00 O ATOM 319 CB ALA A 24 -4.107 -3.978 -13.688 1.00 0.00 C ATOM 0 H ALA A 24 -4.011 -4.175 -11.223 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.967 -6.087 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.933 -4.054 -14.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.180 -3.958 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.653 -3.061 -13.311 1.00 0.00 H new ATOM 325 N GLN A 25 -1.165 -4.957 -12.319 1.00 0.00 N ATOM 326 CA GLN A 25 0.281 -5.003 -12.498 1.00 0.00 C ATOM 327 C GLN A 25 0.756 -6.435 -12.717 1.00 0.00 C ATOM 328 O GLN A 25 1.432 -6.733 -13.703 1.00 0.00 O ATOM 329 CB GLN A 25 0.985 -4.400 -11.282 1.00 0.00 C ATOM 330 CG GLN A 25 1.257 -2.909 -11.414 1.00 0.00 C ATOM 331 CD GLN A 25 2.236 -2.591 -12.527 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.529 -3.436 -13.372 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.747 -1.365 -12.532 1.00 0.00 N ATOM 0 H GLN A 25 -1.466 -4.669 -11.388 1.00 0.00 H new ATOM 0 HA GLN A 25 0.532 -4.417 -13.382 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.374 -4.572 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.929 -4.921 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.318 -2.387 -11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.650 -2.530 -10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.475 -0.696 -11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.411 -1.092 -13.257 1.00 0.00 H new ATOM 342 N CYS A 26 0.401 -7.320 -11.791 1.00 0.00 N ATOM 343 CA CYS A 26 0.791 -8.721 -11.881 1.00 0.00 C ATOM 344 C CYS A 26 -0.425 -9.635 -11.752 1.00 0.00 C ATOM 345 O CYS A 26 -0.309 -10.781 -11.317 1.00 0.00 O ATOM 346 CB CYS A 26 1.813 -9.059 -10.794 1.00 0.00 C ATOM 347 SG CYS A 26 1.360 -8.457 -9.135 1.00 0.00 S ATOM 0 H CYS A 26 -0.157 -7.090 -10.969 1.00 0.00 H new ATOM 0 HA CYS A 26 1.243 -8.883 -12.859 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.941 -10.141 -10.754 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.777 -8.634 -11.072 1.00 0.00 H new ATOM 352 N GLN A 27 -1.589 -9.119 -12.134 1.00 0.00 N ATOM 353 CA GLN A 27 -2.826 -9.887 -12.061 1.00 0.00 C ATOM 354 C GLN A 27 -2.891 -10.691 -10.767 1.00 0.00 C ATOM 355 O GLN A 27 -3.286 -11.858 -10.768 1.00 0.00 O ATOM 356 CB GLN A 27 -2.940 -10.825 -13.264 1.00 0.00 C ATOM 357 CG GLN A 27 -3.298 -10.113 -14.558 1.00 0.00 C ATOM 358 CD GLN A 27 -4.779 -9.807 -14.667 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.602 -10.711 -14.812 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.127 -8.527 -14.595 1.00 0.00 N ATOM 0 H GLN A 27 -1.701 -8.172 -12.497 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.661 -9.186 -12.075 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.993 -11.349 -13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.696 -11.582 -13.054 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.733 -9.183 -14.625 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.996 -10.731 -15.404 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.412 -7.810 -14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.110 -8.261 -14.660 1.00 0.00 H new ATOM 369 N CYS A 28 -2.500 -10.061 -9.664 1.00 0.00 N ATOM 370 CA CYS A 28 -2.514 -10.717 -8.362 1.00 0.00 C ATOM 371 C CYS A 28 -3.714 -10.263 -7.536 1.00 0.00 C ATOM 372 O CYS A 28 -3.963 -9.065 -7.392 1.00 0.00 O ATOM 373 CB CYS A 28 -1.218 -10.421 -7.605 1.00 0.00 C ATOM 374 SG CYS A 28 0.231 -11.336 -8.224 1.00 0.00 S ATOM 0 H CYS A 28 -2.169 -9.096 -9.646 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.594 -11.792 -8.525 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.012 -9.352 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.362 -10.660 -6.551 1.00 0.00 H new ATOM 379 N ILE A 29 -4.452 -11.226 -6.997 1.00 0.00 N ATOM 380 CA ILE A 29 -5.625 -10.925 -6.185 1.00 0.00 C ATOM 381 C ILE A 29 -5.309 -11.046 -4.698 1.00 0.00 C ATOM 382 O ILE A 29 -4.745 -12.046 -4.252 1.00 0.00 O ATOM 383 CB ILE A 29 -6.801 -11.859 -6.527 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.129 -11.108 -6.407 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.792 -13.078 -5.615 1.00 0.00 C ATOM 386 CD1 ILE A 29 -8.545 -10.840 -4.978 1.00 0.00 C ATOM 0 H ILE A 29 -4.259 -12.222 -7.107 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.911 -9.898 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.688 -12.198 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.050 -10.159 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.910 -11.686 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.629 -13.729 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.857 -13.623 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.884 -12.757 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.495 -10.305 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.657 -11.786 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.784 -10.236 -4.485 1.00 0.00 H new ATOM 398 N PHE A 30 -5.678 -10.024 -3.935 1.00 0.00 N ATOM 399 CA PHE A 30 -5.435 -10.014 -2.497 1.00 0.00 C ATOM 400 C PHE A 30 -6.629 -9.431 -1.747 1.00 0.00 C ATOM 401 O PHE A 30 -7.238 -8.457 -2.188 1.00 0.00 O ATOM 402 CB PHE A 30 -4.175 -9.210 -2.176 1.00 0.00 C ATOM 403 CG PHE A 30 -2.923 -9.796 -2.765 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.547 -11.096 -2.471 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.122 -9.046 -3.611 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.396 -11.639 -3.011 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.971 -9.583 -4.155 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.607 -10.880 -3.853 1.00 0.00 C ATOM 0 H PHE A 30 -6.147 -9.190 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.292 -11.044 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.299 -8.192 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.062 -9.144 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.160 -11.693 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.401 -8.030 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.114 -12.655 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.357 -8.989 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.294 -11.301 -4.275 1.00 0.00 H new ATOM 418 N CYS A 31 -6.959 -10.036 -0.610 1.00 0.00 N ATOM 419 CA CYS A 31 -8.080 -9.579 0.201 1.00 0.00 C ATOM 420 C CYS A 31 -7.818 -8.179 0.751 1.00 0.00 C ATOM 421 O CYS A 31 -6.757 -7.908 1.313 1.00 0.00 O ATOM 422 CB CYS A 31 -8.332 -10.552 1.354 1.00 0.00 C ATOM 423 SG CYS A 31 -7.130 -10.421 2.716 1.00 0.00 S ATOM 0 H CYS A 31 -6.465 -10.844 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.965 -9.542 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.333 -10.378 1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.315 -11.570 0.966 1.00 0.00 H new ATOM 428 N THR A 32 -8.795 -7.293 0.587 1.00 0.00 N ATOM 429 CA THR A 32 -8.672 -5.921 1.065 1.00 0.00 C ATOM 430 C THR A 32 -7.853 -5.859 2.349 1.00 0.00 C ATOM 431 O THR A 32 -6.789 -5.240 2.390 1.00 0.00 O ATOM 432 CB THR A 32 -10.053 -5.289 1.319 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.829 -5.306 0.116 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.910 -3.857 1.815 1.00 0.00 C ATOM 0 H THR A 32 -9.681 -7.501 0.126 1.00 0.00 H new ATOM 0 HA THR A 32 -8.162 -5.358 0.284 1.00 0.00 H new ATOM 0 HB THR A 32 -10.560 -5.874 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.706 -4.904 0.287 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.898 -3.431 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.344 -3.849 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.385 -3.263 1.067 1.00 0.00 H new ATOM 442 N LEU A 33 -8.354 -6.503 3.398 1.00 0.00 N ATOM 443 CA LEU A 33 -7.668 -6.522 4.684 1.00 0.00 C ATOM 444 C LEU A 33 -6.155 -6.514 4.495 1.00 0.00 C ATOM 445 O LEU A 33 -5.472 -5.570 4.897 1.00 0.00 O ATOM 446 CB LEU A 33 -8.086 -7.753 5.490 1.00 0.00 C ATOM 447 CG LEU A 33 -9.348 -7.602 6.340 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.571 -7.433 5.453 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.517 -8.802 7.261 1.00 0.00 C ATOM 0 H LEU A 33 -9.234 -7.019 3.382 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.952 -5.623 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.235 -8.582 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.261 -8.030 6.146 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.244 -6.708 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.460 -7.327 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.452 -6.543 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.679 -8.308 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.420 -8.678 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.599 -9.710 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.653 -8.879 7.921 1.00 0.00 H new ATOM 461 N CYS A 34 -5.635 -7.569 3.877 1.00 0.00 N ATOM 462 CA CYS A 34 -4.202 -7.685 3.632 1.00 0.00 C ATOM 463 C CYS A 34 -3.680 -6.462 2.883 1.00 0.00 C ATOM 464 O CYS A 34 -2.824 -5.732 3.385 1.00 0.00 O ATOM 465 CB CYS A 34 -3.901 -8.954 2.833 1.00 0.00 C ATOM 466 SG CYS A 34 -4.106 -10.496 3.780 1.00 0.00 S ATOM 0 H CYS A 34 -6.185 -8.357 3.536 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.696 -7.743 4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.555 -8.986 1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.878 -8.902 2.461 1.00 0.00 H new ATOM 471 N LEU A 35 -4.199 -6.245 1.681 1.00 0.00 N ATOM 472 CA LEU A 35 -3.786 -5.110 0.861 1.00 0.00 C ATOM 473 C LEU A 35 -3.746 -3.828 1.687 1.00 0.00 C ATOM 474 O LEU A 35 -2.930 -2.941 1.437 1.00 0.00 O ATOM 475 CB LEU A 35 -4.738 -4.938 -0.323 1.00 0.00 C ATOM 476 CG LEU A 35 -4.335 -5.647 -1.617 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.526 -5.761 -2.556 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.189 -4.910 -2.293 1.00 0.00 C ATOM 0 H LEU A 35 -4.907 -6.840 1.251 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.782 -5.310 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.723 -5.298 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.837 -3.873 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.997 -6.653 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.220 -6.268 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.318 -6.332 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.894 -4.764 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.915 -5.428 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.500 -3.892 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.330 -4.881 -1.623 1.00 0.00 H new ATOM 490 N LYS A 36 -4.631 -3.738 2.674 1.00 0.00 N ATOM 491 CA LYS A 36 -4.695 -2.568 3.540 1.00 0.00 C ATOM 492 C LYS A 36 -3.488 -2.512 4.471 1.00 0.00 C ATOM 493 O LYS A 36 -2.633 -1.636 4.342 1.00 0.00 O ATOM 494 CB LYS A 36 -5.986 -2.586 4.362 1.00 0.00 C ATOM 495 CG LYS A 36 -6.177 -1.348 5.221 1.00 0.00 C ATOM 496 CD LYS A 36 -7.609 -1.228 5.714 1.00 0.00 C ATOM 497 CE LYS A 36 -7.720 -0.247 6.871 1.00 0.00 C ATOM 498 NZ LYS A 36 -7.454 -0.902 8.181 1.00 0.00 N ATOM 0 H LYS A 36 -5.314 -4.463 2.894 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.686 -1.680 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.836 -2.684 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.986 -3.467 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.500 -1.388 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.914 -0.460 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.250 -0.901 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.969 -2.207 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.014 0.570 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.718 0.192 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.539 -0.200 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.144 -1.665 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.493 -1.299 8.182 1.00 0.00 H new ATOM 512 N GLN A 37 -3.425 -3.453 5.407 1.00 0.00 N ATOM 513 CA GLN A 37 -2.322 -3.510 6.359 1.00 0.00 C ATOM 514 C GLN A 37 -0.978 -3.466 5.638 1.00 0.00 C ATOM 515 O GLN A 37 -0.081 -2.717 6.023 1.00 0.00 O ATOM 516 CB GLN A 37 -2.418 -4.779 7.208 1.00 0.00 C ATOM 517 CG GLN A 37 -3.621 -4.802 8.136 1.00 0.00 C ATOM 518 CD GLN A 37 -3.978 -6.202 8.595 1.00 0.00 C ATOM 519 OE1 GLN A 37 -3.981 -6.492 9.792 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.280 -7.078 7.646 1.00 0.00 N ATOM 0 H GLN A 37 -4.124 -4.186 5.527 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.392 -2.639 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.463 -5.645 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.510 -4.878 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.415 -4.180 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.477 -4.362 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.265 -6.794 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.528 -8.035 7.896 1.00 0.00 H new ATOM 529 N TYR A 38 -0.848 -4.274 4.592 1.00 0.00 N ATOM 530 CA TYR A 38 0.388 -4.330 3.819 1.00 0.00 C ATOM 531 C TYR A 38 0.834 -2.931 3.404 1.00 0.00 C ATOM 532 O TYR A 38 1.816 -2.402 3.924 1.00 0.00 O ATOM 533 CB TYR A 38 0.198 -5.205 2.578 1.00 0.00 C ATOM 534 CG TYR A 38 1.399 -5.221 1.660 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.611 -5.755 2.079 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.322 -4.701 0.373 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.712 -5.772 1.244 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.416 -4.715 -0.469 1.00 0.00 C ATOM 539 CZ TYR A 38 3.609 -5.251 -0.029 1.00 0.00 C ATOM 540 OH TYR A 38 4.703 -5.265 -0.865 1.00 0.00 O ATOM 0 H TYR A 38 -1.582 -4.899 4.260 1.00 0.00 H new ATOM 0 HA TYR A 38 1.162 -4.767 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.022 -6.225 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.669 -4.849 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.694 -6.164 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.390 -4.279 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.647 -6.191 1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.339 -4.309 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 38 4.513 -4.727 -1.662 1.00 0.00 H new ATOM 550 N VAL A 39 0.104 -2.338 2.465 1.00 0.00 N ATOM 551 CA VAL A 39 0.423 -1.000 1.980 1.00 0.00 C ATOM 552 C VAL A 39 0.493 -0.001 3.131 1.00 0.00 C ATOM 553 O VAL A 39 1.279 0.945 3.097 1.00 0.00 O ATOM 554 CB VAL A 39 -0.617 -0.513 0.954 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.806 -1.545 -0.145 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.939 -0.204 1.641 1.00 0.00 C ATOM 0 H VAL A 39 -0.712 -2.763 2.025 1.00 0.00 H new ATOM 0 HA VAL A 39 1.398 -1.062 1.496 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.249 0.405 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.544 -1.183 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.143 -1.711 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.152 -2.482 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.662 0.139 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.316 -1.104 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.787 0.575 2.388 1.00 0.00 H new ATOM 566 N GLU A 40 -0.336 -0.220 4.148 1.00 0.00 N ATOM 567 CA GLU A 40 -0.368 0.662 5.308 1.00 0.00 C ATOM 568 C GLU A 40 0.993 0.705 5.997 1.00 0.00 C ATOM 569 O GLU A 40 1.610 1.764 6.113 1.00 0.00 O ATOM 570 CB GLU A 40 -1.439 0.200 6.299 1.00 0.00 C ATOM 571 CG GLU A 40 -2.794 0.849 6.077 1.00 0.00 C ATOM 572 CD GLU A 40 -3.622 0.920 7.345 1.00 0.00 C ATOM 573 OE1 GLU A 40 -4.180 -0.123 7.747 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.713 2.017 7.934 1.00 0.00 O ATOM 0 H GLU A 40 -0.993 -0.999 4.191 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.613 1.666 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.547 -0.882 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.103 0.418 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.650 1.856 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.342 0.287 5.321 1.00 0.00 H new ATOM 581 N LEU A 41 1.455 -0.454 6.453 1.00 0.00 N ATOM 582 CA LEU A 41 2.743 -0.551 7.131 1.00 0.00 C ATOM 583 C LEU A 41 3.867 -0.028 6.243 1.00 0.00 C ATOM 584 O LEU A 41 4.679 0.793 6.671 1.00 0.00 O ATOM 585 CB LEU A 41 3.025 -2.002 7.527 1.00 0.00 C ATOM 586 CG LEU A 41 2.531 -2.427 8.910 1.00 0.00 C ATOM 587 CD1 LEU A 41 1.088 -2.904 8.839 1.00 0.00 C ATOM 588 CD2 LEU A 41 3.426 -3.516 9.484 1.00 0.00 C ATOM 0 H LEU A 41 0.957 -1.340 6.366 1.00 0.00 H new ATOM 0 HA LEU A 41 2.699 0.064 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.569 -2.656 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.101 -2.168 7.481 1.00 0.00 H new ATOM 0 HG LEU A 41 2.574 -1.562 9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.754 -3.202 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.455 -2.096 8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.019 -3.756 8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.060 -3.806 10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.415 -4.382 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.445 -3.140 9.572 1.00 0.00 H new ATOM 600 N LEU A 42 3.907 -0.505 5.004 1.00 0.00 N ATOM 601 CA LEU A 42 4.930 -0.083 4.054 1.00 0.00 C ATOM 602 C LEU A 42 5.063 1.437 4.036 1.00 0.00 C ATOM 603 O LEU A 42 6.158 1.975 4.198 1.00 0.00 O ATOM 604 CB LEU A 42 4.593 -0.593 2.651 1.00 0.00 C ATOM 605 CG LEU A 42 5.150 -1.969 2.286 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.541 -2.464 0.984 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.668 -1.919 2.182 1.00 0.00 C ATOM 0 H LEU A 42 3.243 -1.185 4.634 1.00 0.00 H new ATOM 0 HA LEU A 42 5.882 -0.509 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.508 -0.623 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.962 0.131 1.924 1.00 0.00 H new ATOM 0 HG LEU A 42 4.882 -2.669 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.950 -3.445 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.459 -2.539 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.777 -1.764 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.048 -2.907 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.957 -1.205 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.088 -1.610 3.139 1.00 0.00 H new ATOM 619 N ILE A 43 3.941 2.121 3.840 1.00 0.00 N ATOM 620 CA ILE A 43 3.932 3.578 3.805 1.00 0.00 C ATOM 621 C ILE A 43 4.384 4.163 5.138 1.00 0.00 C ATOM 622 O ILE A 43 5.186 5.097 5.179 1.00 0.00 O ATOM 623 CB ILE A 43 2.533 4.126 3.465 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.094 3.639 2.082 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.530 5.645 3.524 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.611 3.801 1.827 1.00 0.00 C ATOM 0 H ILE A 43 3.027 1.690 3.703 1.00 0.00 H new ATOM 0 HA ILE A 43 4.630 3.878 3.023 1.00 0.00 H new ATOM 0 HB ILE A 43 1.823 3.753 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.648 4.188 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.360 2.588 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.534 6.017 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.804 5.971 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.249 6.038 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.371 3.435 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.050 3.230 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.342 4.855 1.902 1.00 0.00 H new ATOM 638 N LYS A 44 3.866 3.608 6.227 1.00 0.00 N ATOM 639 CA LYS A 44 4.218 4.071 7.564 1.00 0.00 C ATOM 640 C LYS A 44 5.724 3.991 7.789 1.00 0.00 C ATOM 641 O LYS A 44 6.272 4.698 8.634 1.00 0.00 O ATOM 642 CB LYS A 44 3.489 3.239 8.623 1.00 0.00 C ATOM 643 CG LYS A 44 2.089 3.741 8.933 1.00 0.00 C ATOM 644 CD LYS A 44 1.443 2.937 10.049 1.00 0.00 C ATOM 645 CE LYS A 44 1.748 3.534 11.413 1.00 0.00 C ATOM 646 NZ LYS A 44 3.188 3.403 11.768 1.00 0.00 N ATOM 0 H LYS A 44 3.200 2.836 6.211 1.00 0.00 H new ATOM 0 HA LYS A 44 3.910 5.113 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.428 2.205 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.077 3.238 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.133 4.792 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.473 3.680 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.364 2.904 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.801 1.908 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.467 4.587 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.141 3.038 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.300 3.482 12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.541 2.477 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.730 4.158 11.302 1.00 0.00 H new ATOM 660 N GLU A 45 6.388 3.128 7.026 1.00 0.00 N ATOM 661 CA GLU A 45 7.831 2.958 7.142 1.00 0.00 C ATOM 662 C GLU A 45 8.566 4.203 6.652 1.00 0.00 C ATOM 663 O GLU A 45 9.155 4.940 7.441 1.00 0.00 O ATOM 664 CB GLU A 45 8.289 1.735 6.347 1.00 0.00 C ATOM 665 CG GLU A 45 9.777 1.452 6.467 1.00 0.00 C ATOM 666 CD GLU A 45 10.179 1.030 7.866 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.666 -0.004 8.344 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.005 1.733 8.485 1.00 0.00 O ATOM 0 H GLU A 45 5.949 2.536 6.321 1.00 0.00 H new ATOM 0 HA GLU A 45 8.070 2.807 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.733 0.862 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.039 1.881 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.052 0.668 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.337 2.344 6.186 1.00 0.00 H new ATOM 675 N GLY A 46 8.528 4.428 5.342 1.00 0.00 N ATOM 676 CA GLY A 46 9.194 5.581 4.768 1.00 0.00 C ATOM 677 C GLY A 46 10.282 5.193 3.786 1.00 0.00 C ATOM 678 O GLY A 46 10.212 5.532 2.604 1.00 0.00 O ATOM 0 H GLY A 46 8.047 3.832 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.459 6.207 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.628 6.182 5.568 1.00 0.00 H new ATOM 682 N LEU A 47 11.292 4.483 4.276 1.00 0.00 N ATOM 683 CA LEU A 47 12.402 4.049 3.433 1.00 0.00 C ATOM 684 C LEU A 47 11.912 3.677 2.038 1.00 0.00 C ATOM 685 O LEU A 47 12.421 4.179 1.036 1.00 0.00 O ATOM 686 CB LEU A 47 13.117 2.858 4.071 1.00 0.00 C ATOM 687 CG LEU A 47 14.042 2.059 3.151 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.135 2.953 2.587 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.648 0.879 3.898 1.00 0.00 C ATOM 0 H LEU A 47 11.366 4.195 5.252 1.00 0.00 H new ATOM 0 HA LEU A 47 13.104 4.878 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.703 3.221 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.364 2.180 4.473 1.00 0.00 H new ATOM 0 HG LEU A 47 13.452 1.673 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.783 2.368 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.683 3.764 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.723 3.369 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.303 0.322 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.224 1.244 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.851 0.225 4.253 1.00 0.00 H new ATOM 701 N GLU A 48 10.920 2.794 1.980 1.00 0.00 N ATOM 702 CA GLU A 48 10.361 2.354 0.707 1.00 0.00 C ATOM 703 C GLU A 48 9.502 3.451 0.084 1.00 0.00 C ATOM 704 O GLU A 48 8.670 4.062 0.755 1.00 0.00 O ATOM 705 CB GLU A 48 9.528 1.085 0.900 1.00 0.00 C ATOM 706 CG GLU A 48 10.335 -0.196 0.774 1.00 0.00 C ATOM 707 CD GLU A 48 11.189 -0.227 -0.478 1.00 0.00 C ATOM 708 OE1 GLU A 48 10.617 -0.178 -1.588 1.00 0.00 O ATOM 709 OE2 GLU A 48 12.429 -0.301 -0.350 1.00 0.00 O ATOM 0 H GLU A 48 10.487 2.369 2.800 1.00 0.00 H new ATOM 0 HA GLU A 48 11.188 2.136 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.059 1.114 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.724 1.072 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.976 -0.305 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.657 -1.049 0.768 1.00 0.00 H new ATOM 716 N THR A 49 9.708 3.695 -1.207 1.00 0.00 N ATOM 717 CA THR A 49 8.954 4.717 -1.922 1.00 0.00 C ATOM 718 C THR A 49 7.822 4.099 -2.733 1.00 0.00 C ATOM 719 O THR A 49 6.770 4.710 -2.914 1.00 0.00 O ATOM 720 CB THR A 49 9.863 5.528 -2.864 1.00 0.00 C ATOM 721 OG1 THR A 49 11.098 5.839 -2.208 1.00 0.00 O ATOM 722 CG2 THR A 49 9.178 6.815 -3.301 1.00 0.00 C ATOM 0 H THR A 49 10.391 3.198 -1.779 1.00 0.00 H new ATOM 0 HA THR A 49 8.534 5.385 -1.170 1.00 0.00 H new ATOM 0 HB THR A 49 10.064 4.923 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.670 6.353 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.839 7.371 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.253 6.575 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.950 7.422 -2.425 1.00 0.00 H new ATOM 730 N ALA A 50 8.046 2.882 -3.220 1.00 0.00 N ATOM 731 CA ALA A 50 7.042 2.180 -4.011 1.00 0.00 C ATOM 732 C ALA A 50 6.435 1.023 -3.225 1.00 0.00 C ATOM 733 O ALA A 50 6.984 0.596 -2.209 1.00 0.00 O ATOM 734 CB ALA A 50 7.652 1.676 -5.310 1.00 0.00 C ATOM 0 H ALA A 50 8.913 2.363 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 50 6.243 2.883 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.891 1.154 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.032 2.520 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.471 0.992 -5.086 1.00 0.00 H new ATOM 740 N ILE A 51 5.300 0.521 -3.701 1.00 0.00 N ATOM 741 CA ILE A 51 4.620 -0.587 -3.041 1.00 0.00 C ATOM 742 C ILE A 51 4.646 -1.841 -3.909 1.00 0.00 C ATOM 743 O ILE A 51 3.715 -2.100 -4.671 1.00 0.00 O ATOM 744 CB ILE A 51 3.158 -0.233 -2.713 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.087 1.103 -1.970 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.519 -1.339 -1.885 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.650 1.044 -0.567 1.00 0.00 C ATOM 0 H ILE A 51 4.833 0.864 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 51 5.156 -0.780 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 51 2.605 -0.137 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.631 1.856 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.048 1.429 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.486 -1.075 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.541 -2.273 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.072 -1.462 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.567 2.025 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.091 0.315 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.699 0.749 -0.608 1.00 0.00 H new ATOM 759 N SER A 52 5.717 -2.618 -3.784 1.00 0.00 N ATOM 760 CA SER A 52 5.866 -3.845 -4.557 1.00 0.00 C ATOM 761 C SER A 52 4.805 -4.868 -4.162 1.00 0.00 C ATOM 762 O SER A 52 4.084 -4.685 -3.180 1.00 0.00 O ATOM 763 CB SER A 52 7.262 -4.437 -4.352 1.00 0.00 C ATOM 764 OG SER A 52 7.653 -5.218 -5.468 1.00 0.00 O ATOM 0 H SER A 52 6.495 -2.419 -3.154 1.00 0.00 H new ATOM 0 HA SER A 52 5.735 -3.599 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.982 -3.634 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.271 -5.052 -3.452 1.00 0.00 H new ATOM 0 HG SER A 52 8.549 -5.584 -5.314 1.00 0.00 H new ATOM 770 N CYS A 53 4.714 -5.945 -4.934 1.00 0.00 N ATOM 771 CA CYS A 53 3.742 -6.998 -4.667 1.00 0.00 C ATOM 772 C CYS A 53 3.907 -7.546 -3.252 1.00 0.00 C ATOM 773 O CYS A 53 5.015 -7.823 -2.792 1.00 0.00 O ATOM 774 CB CYS A 53 3.894 -8.132 -5.685 1.00 0.00 C ATOM 775 SG CYS A 53 2.555 -9.366 -5.628 1.00 0.00 S ATOM 0 H CYS A 53 5.302 -6.112 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 53 2.745 -6.568 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.937 -7.704 -6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.845 -8.635 -5.513 1.00 0.00 H new ATOM 780 N PRO A 54 2.779 -7.705 -2.544 1.00 0.00 N ATOM 781 CA PRO A 54 2.772 -8.221 -1.173 1.00 0.00 C ATOM 782 C PRO A 54 3.138 -9.700 -1.107 1.00 0.00 C ATOM 783 O PRO A 54 3.128 -10.305 -0.035 1.00 0.00 O ATOM 784 CB PRO A 54 1.325 -8.008 -0.721 1.00 0.00 C ATOM 785 CG PRO A 54 0.532 -8.002 -1.982 1.00 0.00 C ATOM 786 CD PRO A 54 1.424 -7.394 -3.029 1.00 0.00 C ATOM 0 HA PRO A 54 3.508 -7.718 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.998 -8.804 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.214 -7.069 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.235 -9.013 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.383 -7.422 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.240 -7.825 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.265 -6.319 -3.117 1.00 0.00 H new ATOM 794 N ASP A 55 3.463 -10.276 -2.259 1.00 0.00 N ATOM 795 CA ASP A 55 3.834 -11.684 -2.333 1.00 0.00 C ATOM 796 C ASP A 55 5.295 -11.840 -2.741 1.00 0.00 C ATOM 797 O ASP A 55 5.693 -11.428 -3.830 1.00 0.00 O ATOM 798 CB ASP A 55 2.932 -12.419 -3.324 1.00 0.00 C ATOM 799 CG ASP A 55 3.062 -13.926 -3.217 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.763 -14.473 -2.135 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.463 -14.559 -4.217 1.00 0.00 O ATOM 0 H ASP A 55 3.477 -9.789 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 55 3.704 -12.122 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.895 -12.133 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.181 -12.107 -4.338 1.00 0.00 H new ATOM 806 N ALA A 56 6.090 -12.437 -1.859 1.00 0.00 N ATOM 807 CA ALA A 56 7.508 -12.648 -2.129 1.00 0.00 C ATOM 808 C ALA A 56 7.717 -13.820 -3.082 1.00 0.00 C ATOM 809 O ALA A 56 8.847 -14.229 -3.340 1.00 0.00 O ATOM 810 CB ALA A 56 8.263 -12.881 -0.829 1.00 0.00 C ATOM 0 H ALA A 56 5.777 -12.783 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 56 7.899 -11.750 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.320 -13.037 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.149 -12.012 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.861 -13.762 -0.328 1.00 0.00 H new ATOM 816 N ALA A 57 6.617 -14.358 -3.601 1.00 0.00 N ATOM 817 CA ALA A 57 6.680 -15.483 -4.526 1.00 0.00 C ATOM 818 C ALA A 57 6.120 -15.102 -5.892 1.00 0.00 C ATOM 819 O ALA A 57 5.687 -15.963 -6.659 1.00 0.00 O ATOM 820 CB ALA A 57 5.927 -16.676 -3.958 1.00 0.00 C ATOM 0 H ALA A 57 5.672 -14.033 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 57 7.727 -15.757 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.982 -17.509 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.375 -16.971 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.883 -16.405 -3.798 1.00 0.00 H new ATOM 826 N CYS A 58 6.130 -13.807 -6.191 1.00 0.00 N ATOM 827 CA CYS A 58 5.623 -13.311 -7.464 1.00 0.00 C ATOM 828 C CYS A 58 6.760 -13.104 -8.459 1.00 0.00 C ATOM 829 O CYS A 58 7.689 -12.331 -8.226 1.00 0.00 O ATOM 830 CB CYS A 58 4.864 -11.998 -7.258 1.00 0.00 C ATOM 831 SG CYS A 58 3.945 -11.432 -8.726 1.00 0.00 S ATOM 0 H CYS A 58 6.484 -13.082 -5.568 1.00 0.00 H new ATOM 0 HA CYS A 58 4.940 -14.057 -7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.165 -12.121 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.573 -11.223 -6.965 1.00 0.00 H new ATOM 836 N PRO A 59 6.686 -13.810 -9.597 1.00 0.00 N ATOM 837 CA PRO A 59 7.700 -13.720 -10.652 1.00 0.00 C ATOM 838 C PRO A 59 7.672 -12.375 -11.370 1.00 0.00 C ATOM 839 O PRO A 59 8.610 -12.021 -12.086 1.00 0.00 O ATOM 840 CB PRO A 59 7.314 -14.847 -11.613 1.00 0.00 C ATOM 841 CG PRO A 59 5.854 -15.046 -11.396 1.00 0.00 C ATOM 842 CD PRO A 59 5.607 -14.750 -9.942 1.00 0.00 C ATOM 0 HA PRO A 59 8.711 -13.809 -10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.527 -14.576 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.874 -15.758 -11.400 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.271 -14.382 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.558 -16.066 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.623 -14.308 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.652 -15.654 -9.335 1.00 0.00 H new ATOM 850 N LYS A 60 6.591 -11.628 -11.175 1.00 0.00 N ATOM 851 CA LYS A 60 6.440 -10.320 -11.802 1.00 0.00 C ATOM 852 C LYS A 60 6.530 -9.205 -10.764 1.00 0.00 C ATOM 853 O LYS A 60 6.665 -8.032 -11.111 1.00 0.00 O ATOM 854 CB LYS A 60 5.102 -10.237 -12.540 1.00 0.00 C ATOM 855 CG LYS A 60 4.923 -8.952 -13.331 1.00 0.00 C ATOM 856 CD LYS A 60 3.971 -9.144 -14.499 1.00 0.00 C ATOM 857 CE LYS A 60 4.293 -8.194 -15.643 1.00 0.00 C ATOM 858 NZ LYS A 60 4.288 -6.772 -15.200 1.00 0.00 N ATOM 0 H LYS A 60 5.805 -11.906 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 60 7.252 -10.192 -12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.017 -11.086 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.291 -10.325 -11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.542 -8.170 -12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.891 -8.614 -13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.030 -10.174 -14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.946 -8.979 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.270 -8.442 -16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.564 -8.328 -16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.325 -6.149 -16.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.419 -6.579 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.116 -6.593 -14.596 1.00 0.00 H new ATOM 872 N GLN A 61 6.454 -9.581 -9.491 1.00 0.00 N ATOM 873 CA GLN A 61 6.529 -8.612 -8.404 1.00 0.00 C ATOM 874 C GLN A 61 5.839 -7.307 -8.790 1.00 0.00 C ATOM 875 O GLN A 61 6.425 -6.230 -8.688 1.00 0.00 O ATOM 876 CB GLN A 61 7.987 -8.341 -8.032 1.00 0.00 C ATOM 877 CG GLN A 61 8.788 -9.603 -7.753 1.00 0.00 C ATOM 878 CD GLN A 61 10.009 -9.341 -6.895 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.073 -8.983 -7.401 1.00 0.00 O ATOM 880 NE2 GLN A 61 9.864 -9.519 -5.587 1.00 0.00 N ATOM 0 H GLN A 61 6.341 -10.548 -9.188 1.00 0.00 H new ATOM 0 HA GLN A 61 6.014 -9.033 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.464 -7.790 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.015 -7.700 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.149 -10.332 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.101 -10.046 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.964 -9.816 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.652 -9.358 -4.960 1.00 0.00 H new ATOM 889 N GLY A 62 4.591 -7.412 -9.236 1.00 0.00 N ATOM 890 CA GLY A 62 3.843 -6.232 -9.631 1.00 0.00 C ATOM 891 C GLY A 62 3.471 -5.359 -8.450 1.00 0.00 C ATOM 892 O GLY A 62 2.905 -5.838 -7.466 1.00 0.00 O ATOM 0 H GLY A 62 4.085 -8.292 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.435 -5.650 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.936 -6.538 -10.152 1.00 0.00 H new ATOM 896 N HIS A 63 3.791 -4.071 -8.543 1.00 0.00 N ATOM 897 CA HIS A 63 3.488 -3.128 -7.473 1.00 0.00 C ATOM 898 C HIS A 63 2.005 -2.772 -7.467 1.00 0.00 C ATOM 899 O HIS A 63 1.223 -3.310 -8.252 1.00 0.00 O ATOM 900 CB HIS A 63 4.329 -1.861 -7.628 1.00 0.00 C ATOM 901 CG HIS A 63 5.753 -2.129 -8.006 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.154 -2.384 -9.300 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.874 -2.178 -7.250 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.459 -2.582 -9.324 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.921 -2.461 -8.092 1.00 0.00 N ATOM 0 H HIS A 63 4.260 -3.657 -9.349 1.00 0.00 H new ATOM 0 HA HIS A 63 3.733 -3.603 -6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.874 -1.224 -8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.309 -1.305 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.934 -2.023 -6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.048 -2.805 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.897 -2.561 -7.812 1.00 0.00 H new ATOM 913 N LEU A 64 1.624 -1.863 -6.576 1.00 0.00 N ATOM 914 CA LEU A 64 0.233 -1.436 -6.467 1.00 0.00 C ATOM 915 C LEU A 64 0.026 -0.083 -7.140 1.00 0.00 C ATOM 916 O LEU A 64 0.853 0.819 -7.011 1.00 0.00 O ATOM 917 CB LEU A 64 -0.182 -1.355 -4.996 1.00 0.00 C ATOM 918 CG LEU A 64 -0.789 -2.626 -4.399 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.952 -3.111 -5.249 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.270 -3.712 -4.270 1.00 0.00 C ATOM 0 H LEU A 64 2.258 -1.408 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.389 -2.173 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.694 -1.083 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.904 -0.546 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.166 -2.394 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.371 -4.016 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.720 -2.338 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.600 -3.327 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.179 -4.609 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.677 -3.943 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.072 -3.363 -3.619 1.00 0.00 H new ATOM 932 N GLN A 65 -1.086 0.050 -7.857 1.00 0.00 N ATOM 933 CA GLN A 65 -1.403 1.293 -8.549 1.00 0.00 C ATOM 934 C GLN A 65 -1.669 2.418 -7.554 1.00 0.00 C ATOM 935 O GLN A 65 -2.233 2.192 -6.484 1.00 0.00 O ATOM 936 CB GLN A 65 -2.620 1.101 -9.457 1.00 0.00 C ATOM 937 CG GLN A 65 -2.398 0.084 -10.564 1.00 0.00 C ATOM 938 CD GLN A 65 -1.855 0.710 -11.832 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.278 1.794 -12.233 1.00 0.00 O ATOM 940 NE2 GLN A 65 -0.910 0.029 -12.471 1.00 0.00 N ATOM 0 H GLN A 65 -1.781 -0.687 -7.973 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.543 1.568 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.469 0.786 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.885 2.060 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.704 -0.681 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.340 -0.417 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.589 -0.866 -12.103 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.505 0.402 -13.330 1.00 0.00 H new ATOM 949 N GLU A 66 -1.260 3.631 -7.915 1.00 0.00 N ATOM 950 CA GLU A 66 -1.453 4.790 -7.053 1.00 0.00 C ATOM 951 C GLU A 66 -2.927 4.968 -6.703 1.00 0.00 C ATOM 952 O GLU A 66 -3.273 5.277 -5.564 1.00 0.00 O ATOM 953 CB GLU A 66 -0.922 6.054 -7.732 1.00 0.00 C ATOM 954 CG GLU A 66 -1.206 7.328 -6.955 1.00 0.00 C ATOM 955 CD GLU A 66 -2.665 7.738 -7.018 1.00 0.00 C ATOM 956 OE1 GLU A 66 -3.150 8.036 -8.129 1.00 0.00 O ATOM 957 OE2 GLU A 66 -3.321 7.758 -5.956 1.00 0.00 O ATOM 0 H GLU A 66 -0.793 3.836 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.896 4.621 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.155 5.956 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.366 6.137 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.917 7.186 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.589 8.135 -7.350 1.00 0.00 H new ATOM 964 N ASN A 67 -3.792 4.770 -7.692 1.00 0.00 N ATOM 965 CA ASN A 67 -5.229 4.909 -7.490 1.00 0.00 C ATOM 966 C ASN A 67 -5.728 3.932 -6.430 1.00 0.00 C ATOM 967 O ASN A 67 -6.484 4.305 -5.535 1.00 0.00 O ATOM 968 CB ASN A 67 -5.975 4.676 -8.806 1.00 0.00 C ATOM 969 CG ASN A 67 -5.309 3.623 -9.669 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.292 3.884 -10.312 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.882 2.425 -9.688 1.00 0.00 N ATOM 0 H ASN A 67 -3.523 4.513 -8.642 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.425 5.924 -7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.999 4.371 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.031 5.613 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.480 1.676 -10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.724 2.254 -9.139 1.00 0.00 H new ATOM 978 N GLU A 68 -5.296 2.679 -6.539 1.00 0.00 N ATOM 979 CA GLU A 68 -5.698 1.648 -5.590 1.00 0.00 C ATOM 980 C GLU A 68 -5.446 2.101 -4.154 1.00 0.00 C ATOM 981 O GLU A 68 -6.364 2.140 -3.335 1.00 0.00 O ATOM 982 CB GLU A 68 -4.943 0.346 -5.865 1.00 0.00 C ATOM 983 CG GLU A 68 -5.411 -0.377 -7.117 1.00 0.00 C ATOM 984 CD GLU A 68 -6.904 -0.643 -7.112 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.489 -0.724 -6.011 1.00 0.00 O ATOM 986 OE2 GLU A 68 -7.487 -0.768 -8.209 1.00 0.00 O ATOM 0 H GLU A 68 -4.668 2.354 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.767 1.473 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.879 0.566 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.057 -0.318 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.155 0.218 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.877 -1.323 -7.207 1.00 0.00 H new ATOM 993 N ILE A 69 -4.196 2.443 -3.859 1.00 0.00 N ATOM 994 CA ILE A 69 -3.824 2.894 -2.525 1.00 0.00 C ATOM 995 C ILE A 69 -4.725 4.032 -2.057 1.00 0.00 C ATOM 996 O ILE A 69 -5.296 3.976 -0.968 1.00 0.00 O ATOM 997 CB ILE A 69 -2.357 3.364 -2.478 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.425 2.241 -2.937 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.992 3.821 -1.074 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.154 2.739 -3.590 1.00 0.00 C ATOM 0 H ILE A 69 -3.425 2.416 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.946 2.040 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.239 4.209 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.164 1.622 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.959 1.602 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.953 4.150 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.639 4.648 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.122 2.993 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.458 1.889 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.405 3.333 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.402 3.354 -2.882 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.849 5.061 -2.889 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.682 6.211 -2.560 1.00 0.00 C ATOM 1014 C GLU A 70 -6.923 5.780 -1.783 1.00 0.00 C ATOM 1015 O GLU A 70 -7.095 6.139 -0.617 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.096 6.950 -3.834 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.752 8.296 -3.572 1.00 0.00 C ATOM 1018 CD GLU A 70 -5.800 9.295 -2.943 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -4.595 9.249 -3.263 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -6.263 10.123 -2.130 1.00 0.00 O ATOM 0 H GLU A 70 -4.384 5.122 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.097 6.883 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.216 7.100 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.786 6.323 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.130 8.701 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.611 8.156 -2.916 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.785 5.010 -2.437 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.011 4.530 -1.809 1.00 0.00 C ATOM 1029 C CYS A 71 -8.702 3.498 -0.729 1.00 0.00 C ATOM 1030 O CYS A 71 -9.359 3.456 0.310 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.944 3.924 -2.859 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.546 3.396 -2.208 1.00 0.00 S ATOM 0 H CYS A 71 -7.658 4.705 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.507 5.381 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.109 4.657 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.450 3.067 -3.317 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.264 2.900 -3.172 1.00 0.00 H new ATOM 1038 N MET A 72 -7.698 2.667 -0.984 1.00 0.00 N ATOM 1039 CA MET A 72 -7.301 1.634 -0.035 1.00 0.00 C ATOM 1040 C MET A 72 -7.170 2.210 1.372 1.00 0.00 C ATOM 1041 O MET A 72 -7.880 1.798 2.290 1.00 0.00 O ATOM 1042 CB MET A 72 -5.976 0.999 -0.462 1.00 0.00 C ATOM 1043 CG MET A 72 -5.677 -0.314 0.244 1.00 0.00 C ATOM 1044 SD MET A 72 -6.299 -1.746 -0.657 1.00 0.00 S ATOM 1045 CE MET A 72 -5.212 -1.749 -2.081 1.00 0.00 C ATOM 0 H MET A 72 -7.144 2.689 -1.840 1.00 0.00 H new ATOM 0 HA MET A 72 -8.077 0.868 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.995 0.828 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.166 1.701 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.600 -0.413 0.377 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.120 -0.296 1.240 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.413 -2.630 -2.690 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.386 -0.851 -2.673 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.175 -1.768 -1.747 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.261 3.165 1.535 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.039 3.799 2.829 1.00 0.00 C ATOM 1057 C VAL A 73 -6.774 5.132 2.922 1.00 0.00 C ATOM 1058 O VAL A 73 -7.325 5.618 1.935 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.539 4.033 3.089 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.758 2.740 2.909 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.003 5.122 2.172 1.00 0.00 C ATOM 0 H VAL A 73 -5.665 3.517 0.786 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.430 3.119 3.586 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.414 4.364 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.700 2.925 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.126 1.992 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.887 2.376 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.942 5.274 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.140 4.822 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.543 6.051 2.356 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.778 5.717 4.115 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.443 6.994 4.337 1.00 0.00 C ATOM 1073 C ALA A 74 -6.505 8.160 4.042 1.00 0.00 C ATOM 1074 O ALA A 74 -5.292 8.053 4.218 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.960 7.079 5.765 1.00 0.00 C ATOM 0 H ALA A 74 -6.328 5.326 4.943 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.288 7.059 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.454 8.039 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.671 6.272 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.125 6.987 6.460 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.075 9.273 3.592 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.289 10.459 3.273 1.00 0.00 C ATOM 1083 C ALA A 75 -5.155 10.651 4.275 1.00 0.00 C ATOM 1084 O ALA A 75 -4.007 10.871 3.891 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.182 11.690 3.241 1.00 0.00 C ATOM 0 H ALA A 75 -8.078 9.378 3.440 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.847 10.318 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.582 12.568 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.954 11.560 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.650 11.825 4.216 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.486 10.566 5.559 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.494 10.733 6.615 1.00 0.00 C ATOM 1093 C GLU A 76 -3.238 9.919 6.315 1.00 0.00 C ATOM 1094 O GLU A 76 -2.117 10.397 6.502 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.077 10.310 7.965 1.00 0.00 C ATOM 1096 CG GLU A 76 -4.022 9.964 9.003 1.00 0.00 C ATOM 1097 CD GLU A 76 -4.501 10.201 10.422 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -4.838 11.358 10.751 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -4.539 9.228 11.204 1.00 0.00 O ATOM 0 H GLU A 76 -6.432 10.383 5.893 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.222 11.788 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.702 11.116 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.725 9.446 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.735 8.918 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.128 10.561 8.821 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.433 8.692 5.848 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.317 7.812 5.522 1.00 0.00 C ATOM 1108 C ILE A 77 -1.808 8.072 4.107 1.00 0.00 C ATOM 1109 O ILE A 77 -0.622 8.323 3.899 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.712 6.330 5.649 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.120 6.010 7.088 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.563 5.435 5.207 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -1.979 6.109 8.076 1.00 0.00 C ATOM 0 H ILE A 77 -4.353 8.283 5.686 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.524 8.030 6.237 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.566 6.140 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.914 6.692 7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.535 5.003 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.858 4.390 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.315 5.648 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.692 5.625 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.341 5.869 9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.194 5.407 7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.579 7.123 8.069 1.00 0.00 H new ATOM 1125 N MET A 78 -2.716 8.012 3.138 1.00 0.00 N ATOM 1126 CA MET A 78 -2.360 8.243 1.743 1.00 0.00 C ATOM 1127 C MET A 78 -1.299 9.333 1.627 1.00 0.00 C ATOM 1128 O MET A 78 -0.276 9.148 0.967 1.00 0.00 O ATOM 1129 CB MET A 78 -3.600 8.635 0.936 1.00 0.00 C ATOM 1130 CG MET A 78 -3.341 8.751 -0.557 1.00 0.00 C ATOM 1131 SD MET A 78 -2.492 7.309 -1.228 1.00 0.00 S ATOM 1132 CE MET A 78 -1.553 8.058 -2.558 1.00 0.00 C ATOM 0 H MET A 78 -3.703 7.806 3.293 1.00 0.00 H new ATOM 0 HA MET A 78 -1.951 7.317 1.340 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.382 7.895 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.978 9.588 1.306 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.290 8.884 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.744 9.642 -0.750 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.432 7.339 -3.368 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.083 8.936 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.572 8.355 -2.188 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.549 10.468 2.271 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.614 11.588 2.238 1.00 0.00 C ATOM 1144 C GLN A 79 0.819 11.106 2.436 1.00 0.00 C ATOM 1145 O GLN A 79 1.717 11.471 1.678 1.00 0.00 O ATOM 1146 CB GLN A 79 -0.974 12.611 3.316 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.408 13.997 3.050 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.185 15.090 3.757 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.312 15.411 3.378 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.586 15.669 4.792 1.00 0.00 N ATOM 0 H GLN A 79 -2.391 10.637 2.822 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.687 12.061 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.059 12.679 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.607 12.256 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.632 14.029 3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.414 14.188 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.349 15.372 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.061 16.411 5.307 1.00 0.00 H new ATOM 1159 N ARG A 80 1.025 10.283 3.459 1.00 0.00 N ATOM 1160 CA ARG A 80 2.350 9.752 3.758 1.00 0.00 C ATOM 1161 C ARG A 80 3.008 9.194 2.499 1.00 0.00 C ATOM 1162 O ARG A 80 4.168 9.491 2.208 1.00 0.00 O ATOM 1163 CB ARG A 80 2.257 8.660 4.824 1.00 0.00 C ATOM 1164 CG ARG A 80 1.625 9.130 6.124 1.00 0.00 C ATOM 1165 CD ARG A 80 1.869 8.140 7.252 1.00 0.00 C ATOM 1166 NE ARG A 80 3.231 8.224 7.771 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.604 7.721 8.943 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.721 7.101 9.712 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.863 7.838 9.346 1.00 0.00 N ATOM 0 H ARG A 80 0.292 9.969 4.095 1.00 0.00 H new ATOM 0 HA ARG A 80 2.964 10.569 4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.677 7.826 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.258 8.281 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.034 10.103 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.553 9.263 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.162 8.329 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.680 7.128 6.893 1.00 0.00 H new ATOM 0 HE ARG A 80 3.935 8.695 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.753 7.009 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.010 6.716 10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.545 8.314 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.148 7.452 10.246 1.00 0.00 H new ATOM 1183 N TYR A 81 2.261 8.384 1.757 1.00 0.00 N ATOM 1184 CA TYR A 81 2.773 7.782 0.532 1.00 0.00 C ATOM 1185 C TYR A 81 2.967 8.837 -0.554 1.00 0.00 C ATOM 1186 O TYR A 81 3.968 8.831 -1.271 1.00 0.00 O ATOM 1187 CB TYR A 81 1.819 6.694 0.036 1.00 0.00 C ATOM 1188 CG TYR A 81 2.325 5.953 -1.181 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.484 5.188 -1.120 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.646 6.017 -2.390 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.950 4.509 -2.229 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.104 5.341 -3.505 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.257 4.588 -3.418 1.00 0.00 C ATOM 1194 OH TYR A 81 3.718 3.914 -4.526 1.00 0.00 O ATOM 0 H TYR A 81 1.299 8.129 1.982 1.00 0.00 H new ATOM 0 HA TYR A 81 3.741 7.333 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.647 5.979 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.856 7.147 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.029 5.123 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.743 6.606 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.853 3.919 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.563 5.402 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 81 3.114 4.074 -5.281 1.00 0.00 H new ATOM 1204 N LYS A 82 2.002 9.742 -0.669 1.00 0.00 N ATOM 1205 CA LYS A 82 2.065 10.805 -1.665 1.00 0.00 C ATOM 1206 C LYS A 82 3.362 11.598 -1.534 1.00 0.00 C ATOM 1207 O LYS A 82 4.072 11.814 -2.516 1.00 0.00 O ATOM 1208 CB LYS A 82 0.865 11.743 -1.516 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.398 11.225 -2.182 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.288 12.364 -2.651 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.572 11.845 -3.281 1.00 0.00 C ATOM 1212 NZ LYS A 82 -3.476 12.953 -3.693 1.00 0.00 N ATOM 0 H LYS A 82 1.166 9.761 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 82 2.039 10.345 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.668 11.902 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.118 12.714 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.131 10.597 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.948 10.597 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.531 13.009 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.748 12.975 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.329 11.233 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.089 11.199 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.339 12.557 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.729 13.522 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.992 13.555 -4.390 1.00 0.00 H new ATOM 1226 N LYS A 83 3.666 12.027 -0.314 1.00 0.00 N ATOM 1227 CA LYS A 83 4.879 12.794 -0.052 1.00 0.00 C ATOM 1228 C LYS A 83 6.122 11.975 -0.388 1.00 0.00 C ATOM 1229 O LYS A 83 7.081 12.491 -0.964 1.00 0.00 O ATOM 1230 CB LYS A 83 4.924 13.232 1.414 1.00 0.00 C ATOM 1231 CG LYS A 83 4.870 12.075 2.396 1.00 0.00 C ATOM 1232 CD LYS A 83 5.251 12.517 3.799 1.00 0.00 C ATOM 1233 CE LYS A 83 4.123 13.288 4.466 1.00 0.00 C ATOM 1234 NZ LYS A 83 4.183 14.743 4.149 1.00 0.00 N ATOM 0 H LYS A 83 3.089 11.857 0.510 1.00 0.00 H new ATOM 0 HA LYS A 83 4.865 13.679 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.837 13.802 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.088 13.903 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.865 11.652 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.545 11.285 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.502 11.644 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.144 13.141 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.164 12.884 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.177 13.149 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.965 15.294 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.137 14.986 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.489 14.966 3.408 1.00 0.00 H new ATOM 1248 N LEU A 84 6.099 10.698 -0.025 1.00 0.00 N ATOM 1249 CA LEU A 84 7.225 9.808 -0.289 1.00 0.00 C ATOM 1250 C LEU A 84 7.599 9.827 -1.767 1.00 0.00 C ATOM 1251 O LEU A 84 8.762 10.018 -2.120 1.00 0.00 O ATOM 1252 CB LEU A 84 6.883 8.381 0.143 1.00 0.00 C ATOM 1253 CG LEU A 84 7.078 8.064 1.627 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.629 6.643 1.933 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.532 8.264 2.028 1.00 0.00 C ATOM 0 H LEU A 84 5.314 10.255 0.453 1.00 0.00 H new ATOM 0 HA LEU A 84 8.080 10.162 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.843 8.184 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.493 7.690 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 84 6.463 8.750 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.775 6.436 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.574 6.533 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.216 5.941 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.652 8.034 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.166 7.602 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.820 9.299 1.847 1.00 0.00 H new ATOM 1267 N GLN A 85 6.604 9.630 -2.628 1.00 0.00 N ATOM 1268 CA GLN A 85 6.830 9.627 -4.068 1.00 0.00 C ATOM 1269 C GLN A 85 7.521 10.911 -4.513 1.00 0.00 C ATOM 1270 O GLN A 85 8.542 10.873 -5.201 1.00 0.00 O ATOM 1271 CB GLN A 85 5.504 9.462 -4.812 1.00 0.00 C ATOM 1272 CG GLN A 85 5.088 8.013 -5.001 1.00 0.00 C ATOM 1273 CD GLN A 85 3.955 7.855 -5.996 1.00 0.00 C ATOM 1274 OE1 GLN A 85 4.181 7.747 -7.200 1.00 0.00 O ATOM 1275 NE2 GLN A 85 2.725 7.840 -5.495 1.00 0.00 N ATOM 0 H GLN A 85 5.635 9.471 -2.353 1.00 0.00 H new ATOM 0 HA GLN A 85 7.480 8.785 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.722 9.987 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.584 9.939 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.947 7.434 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.783 7.598 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.583 7.933 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.923 7.736 -6.116 1.00 0.00 H new ATOM 1284 N PHE A 86 6.957 12.048 -4.118 1.00 0.00 N ATOM 1285 CA PHE A 86 7.519 13.345 -4.479 1.00 0.00 C ATOM 1286 C PHE A 86 9.032 13.358 -4.278 1.00 0.00 C ATOM 1287 O PHE A 86 9.788 13.654 -5.202 1.00 0.00 O ATOM 1288 CB PHE A 86 6.873 14.453 -3.644 1.00 0.00 C ATOM 1289 CG PHE A 86 7.320 15.834 -4.032 1.00 0.00 C ATOM 1290 CD1 PHE A 86 6.810 16.448 -5.165 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.250 16.517 -3.266 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.218 17.718 -5.525 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.662 17.788 -3.620 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.147 18.389 -4.753 1.00 0.00 C ATOM 0 H PHE A 86 6.112 12.098 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 86 7.309 13.524 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.790 14.389 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.105 14.287 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.085 15.928 -5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.658 16.051 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.811 18.186 -6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.385 18.311 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.470 19.381 -5.034 1.00 0.00 H new ATOM 1304 N GLU A 87 9.465 13.034 -3.063 1.00 0.00 N ATOM 1305 CA GLU A 87 10.886 13.010 -2.741 1.00 0.00 C ATOM 1306 C GLU A 87 11.694 12.410 -3.888 1.00 0.00 C ATOM 1307 O GLU A 87 12.721 12.956 -4.290 1.00 0.00 O ATOM 1308 CB GLU A 87 11.128 12.209 -1.459 1.00 0.00 C ATOM 1309 CG GLU A 87 10.622 12.902 -0.204 1.00 0.00 C ATOM 1310 CD GLU A 87 10.840 12.073 1.046 1.00 0.00 C ATOM 1311 OE1 GLU A 87 11.871 11.372 1.122 1.00 0.00 O ATOM 1312 OE2 GLU A 87 9.981 12.126 1.950 1.00 0.00 O ATOM 0 H GLU A 87 8.852 12.785 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 87 11.214 14.038 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.641 11.238 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.196 12.021 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.129 13.861 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.559 13.114 -0.314 1.00 0.00 H new ATOM 1319 N ARG A 88 11.222 11.283 -4.411 1.00 0.00 N ATOM 1320 CA ARG A 88 11.900 10.608 -5.510 1.00 0.00 C ATOM 1321 C ARG A 88 10.952 10.397 -6.687 1.00 0.00 C ATOM 1322 O ARG A 88 10.357 9.330 -6.835 1.00 0.00 O ATOM 1323 CB ARG A 88 12.458 9.261 -5.043 1.00 0.00 C ATOM 1324 CG ARG A 88 13.780 9.373 -4.303 1.00 0.00 C ATOM 1325 CD ARG A 88 14.593 8.093 -4.418 1.00 0.00 C ATOM 1326 NE ARG A 88 15.977 8.284 -3.992 1.00 0.00 N ATOM 1327 CZ ARG A 88 16.978 7.499 -4.374 1.00 0.00 C ATOM 1328 NH1 ARG A 88 16.750 6.476 -5.185 1.00 0.00 N ATOM 1329 NH2 ARG A 88 18.211 7.737 -3.944 1.00 0.00 N ATOM 0 H ARG A 88 10.372 10.818 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 88 12.724 11.241 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.727 8.780 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.590 8.612 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.354 10.207 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.592 9.593 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.131 7.314 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.576 7.744 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 88 16.186 9.063 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.804 6.290 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.521 5.875 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.390 8.523 -3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.979 7.134 -4.238 1.00 0.00 H new ATOM 1343 N SER A 89 10.815 11.422 -7.521 1.00 0.00 N ATOM 1344 CA SER A 89 9.937 11.352 -8.682 1.00 0.00 C ATOM 1345 C SER A 89 10.158 12.548 -9.604 1.00 0.00 C ATOM 1346 O SER A 89 10.404 13.662 -9.146 1.00 0.00 O ATOM 1347 CB SER A 89 8.473 11.301 -8.238 1.00 0.00 C ATOM 1348 OG SER A 89 7.599 11.380 -9.351 1.00 0.00 O ATOM 0 H SER A 89 11.302 12.312 -7.414 1.00 0.00 H new ATOM 0 HA SER A 89 10.175 10.442 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.288 10.377 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.269 12.123 -7.552 1.00 0.00 H new ATOM 0 HG SER A 89 6.670 11.344 -9.041 1.00 0.00 H new ATOM 1354 N GLY A 90 10.067 12.306 -10.908 1.00 0.00 N ATOM 1355 CA GLY A 90 10.260 13.369 -11.876 1.00 0.00 C ATOM 1356 C GLY A 90 11.388 13.075 -12.845 1.00 0.00 C ATOM 1357 O GLY A 90 11.679 11.921 -13.159 1.00 0.00 O ATOM 0 H GLY A 90 9.863 11.392 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.336 13.520 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.470 14.301 -11.351 1.00 0.00 H new ATOM 1361 N PRO A 91 12.042 14.137 -13.338 1.00 0.00 N ATOM 1362 CA PRO A 91 13.153 14.012 -14.285 1.00 0.00 C ATOM 1363 C PRO A 91 14.401 13.419 -13.641 1.00 0.00 C ATOM 1364 O PRO A 91 15.285 14.147 -13.190 1.00 0.00 O ATOM 1365 CB PRO A 91 13.412 15.456 -14.722 1.00 0.00 C ATOM 1366 CG PRO A 91 12.917 16.288 -13.589 1.00 0.00 C ATOM 1367 CD PRO A 91 11.748 15.542 -13.007 1.00 0.00 C ATOM 0 HA PRO A 91 12.912 13.340 -15.108 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.472 15.630 -14.907 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.884 15.691 -15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.697 16.434 -12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.616 17.277 -13.934 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.670 15.694 -11.930 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.805 15.869 -13.444 1.00 0.00 H new ATOM 1375 N SER A 92 14.467 12.092 -13.600 1.00 0.00 N ATOM 1376 CA SER A 92 15.606 11.400 -13.008 1.00 0.00 C ATOM 1377 C SER A 92 16.730 11.233 -14.026 1.00 0.00 C ATOM 1378 O SER A 92 17.863 11.655 -13.793 1.00 0.00 O ATOM 1379 CB SER A 92 15.177 10.032 -12.474 1.00 0.00 C ATOM 1380 OG SER A 92 16.236 9.405 -11.772 1.00 0.00 O ATOM 0 H SER A 92 13.745 11.474 -13.970 1.00 0.00 H new ATOM 0 HA SER A 92 15.977 12.005 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.318 10.149 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.859 9.398 -13.302 1.00 0.00 H new ATOM 0 HG SER A 92 15.937 8.533 -11.439 1.00 0.00 H new ATOM 1386 N SER A 93 16.407 10.612 -15.157 1.00 0.00 N ATOM 1387 CA SER A 93 17.390 10.384 -16.210 1.00 0.00 C ATOM 1388 C SER A 93 18.117 11.678 -16.564 1.00 0.00 C ATOM 1389 O SER A 93 19.336 11.774 -16.431 1.00 0.00 O ATOM 1390 CB SER A 93 16.709 9.811 -17.454 1.00 0.00 C ATOM 1391 OG SER A 93 17.617 9.038 -18.222 1.00 0.00 O ATOM 0 H SER A 93 15.474 10.258 -15.367 1.00 0.00 H new ATOM 0 HA SER A 93 18.123 9.666 -15.841 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.862 9.193 -17.157 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.313 10.624 -18.063 1.00 0.00 H new ATOM 0 HG SER A 93 17.157 8.681 -19.011 1.00 0.00 H new ATOM 1397 N GLY A 94 17.358 12.672 -17.015 1.00 0.00 N ATOM 1398 CA GLY A 94 17.946 13.946 -17.382 1.00 0.00 C ATOM 1399 C GLY A 94 17.781 14.258 -18.857 1.00 0.00 C ATOM 1400 O GLY A 94 17.197 13.451 -19.578 1.00 0.00 O ATOM 0 H GLY A 94 16.346 12.617 -17.133 1.00 0.00 H new ATOM 0 HA2 GLY A 94 17.485 14.739 -16.792 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.007 13.938 -17.132 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.517 -12.076 2.825 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 2.211 -10.196 -7.776 1.00 0.00 ZN