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 Single : A 1 GLY N :NH3+ -119:sc= 0.0911 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 1.2 USER MOD Single : A 5 SER OG : rot -117:sc= 0.0504 USER MOD Single : A 6 SER OG : rot -90:sc= -1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 20 MET CE :methyl 140:sc= 0 (180deg=-0.901) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.094) 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= -1.62 K(o=-1.6,f=-0.55) USER MOD Single : A 38 TYR OH : rot 166:sc= 0.934 USER MOD Single : A 44 LYS NZ :NH3+ -105:sc= 0.511 (180deg=-0.36) USER MOD Single : A 49 THR OG1 : rot -160:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-0.92) USER MOD Single : A 65 GLN : amide:sc=-0.00629 K(o=-0.0063,f=-6.4!) USER MOD Single : A 67 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.4!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -118:sc= -4.04! (180deg=-6.82!) USER MOD Single : A 78 MET CE :methyl 173:sc= -1.91 (180deg=-2.16) USER MOD Single : A 79 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) 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+ -172:sc= 0 (180deg=-0.027) USER MOD Single : A 85 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.37) 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 43:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.453 -27.243 -5.068 1.00 0.00 N ATOM 2 CA GLY A 1 -23.480 -26.834 -4.072 1.00 0.00 C ATOM 3 C GLY A 1 -23.249 -25.336 -4.070 1.00 0.00 C ATOM 4 O GLY A 1 -23.845 -24.608 -4.863 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.261 -27.697 -4.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.783 -26.409 -5.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.013 -27.916 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.821 -27.148 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.535 -27.344 -4.260 1.00 0.00 H new ATOM 8 N SER A 2 -22.382 -24.874 -3.175 1.00 0.00 N ATOM 9 CA SER A 2 -22.078 -23.451 -3.068 1.00 0.00 C ATOM 10 C SER A 2 -20.663 -23.160 -3.559 1.00 0.00 C ATOM 11 O SER A 2 -19.773 -24.005 -3.459 1.00 0.00 O ATOM 12 CB SER A 2 -22.233 -22.983 -1.620 1.00 0.00 C ATOM 13 OG SER A 2 -23.559 -23.180 -1.159 1.00 0.00 O ATOM 0 H SER A 2 -21.877 -25.464 -2.513 1.00 0.00 H new ATOM 0 HA SER A 2 -22.782 -22.906 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.538 -23.529 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.972 -21.927 -1.546 1.00 0.00 H new ATOM 0 HG SER A 2 -23.631 -22.875 -0.231 1.00 0.00 H new ATOM 19 N SER A 3 -20.464 -21.958 -4.089 1.00 0.00 N ATOM 20 CA SER A 3 -19.159 -21.555 -4.600 1.00 0.00 C ATOM 21 C SER A 3 -19.120 -20.053 -4.868 1.00 0.00 C ATOM 22 O SER A 3 -20.103 -19.466 -5.316 1.00 0.00 O ATOM 23 CB SER A 3 -18.830 -22.321 -5.883 1.00 0.00 C ATOM 24 OG SER A 3 -18.249 -23.581 -5.590 1.00 0.00 O ATOM 0 H SER A 3 -21.189 -21.246 -4.176 1.00 0.00 H new ATOM 0 HA SER A 3 -18.412 -21.791 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.738 -22.463 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.145 -21.734 -6.495 1.00 0.00 H new ATOM 0 HG SER A 3 -18.517 -23.864 -4.691 1.00 0.00 H new ATOM 30 N GLY A 4 -17.974 -19.438 -4.590 1.00 0.00 N ATOM 31 CA GLY A 4 -17.827 -18.010 -4.806 1.00 0.00 C ATOM 32 C GLY A 4 -16.768 -17.395 -3.914 1.00 0.00 C ATOM 33 O GLY A 4 -17.052 -16.485 -3.137 1.00 0.00 O ATOM 0 H GLY A 4 -17.145 -19.903 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.569 -17.828 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.782 -17.518 -4.623 1.00 0.00 H new ATOM 37 N SER A 5 -15.540 -17.895 -4.025 1.00 0.00 N ATOM 38 CA SER A 5 -14.435 -17.392 -3.218 1.00 0.00 C ATOM 39 C SER A 5 -13.175 -17.231 -4.064 1.00 0.00 C ATOM 40 O SER A 5 -13.019 -17.882 -5.096 1.00 0.00 O ATOM 41 CB SER A 5 -14.159 -18.336 -2.047 1.00 0.00 C ATOM 42 OG SER A 5 -15.164 -18.224 -1.054 1.00 0.00 O ATOM 0 H SER A 5 -15.287 -18.647 -4.666 1.00 0.00 H new ATOM 0 HA SER A 5 -14.718 -16.414 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.112 -19.364 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.186 -18.106 -1.612 1.00 0.00 H new ATOM 0 HG SER A 5 -14.765 -17.901 -0.219 1.00 0.00 H new ATOM 48 N SER A 6 -12.277 -16.357 -3.617 1.00 0.00 N ATOM 49 CA SER A 6 -11.032 -16.106 -4.334 1.00 0.00 C ATOM 50 C SER A 6 -9.868 -16.835 -3.669 1.00 0.00 C ATOM 51 O SER A 6 -8.954 -17.311 -4.342 1.00 0.00 O ATOM 52 CB SER A 6 -10.745 -14.605 -4.389 1.00 0.00 C ATOM 53 OG SER A 6 -11.619 -13.951 -5.292 1.00 0.00 O ATOM 0 H SER A 6 -12.389 -15.812 -2.762 1.00 0.00 H new ATOM 0 HA SER A 6 -11.142 -16.484 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.856 -14.174 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.712 -14.440 -4.694 1.00 0.00 H new ATOM 0 HG SER A 6 -11.217 -13.939 -6.186 1.00 0.00 H new ATOM 59 N GLY A 7 -9.909 -16.918 -2.343 1.00 0.00 N ATOM 60 CA GLY A 7 -8.852 -17.589 -1.609 1.00 0.00 C ATOM 61 C GLY A 7 -7.593 -16.751 -1.508 1.00 0.00 C ATOM 62 O GLY A 7 -6.668 -16.906 -2.307 1.00 0.00 O ATOM 0 H GLY A 7 -10.655 -16.533 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.206 -17.829 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.617 -18.534 -2.099 1.00 0.00 H new ATOM 66 N CYS A 8 -7.556 -15.857 -0.525 1.00 0.00 N ATOM 67 CA CYS A 8 -6.403 -14.988 -0.324 1.00 0.00 C ATOM 68 C CYS A 8 -5.113 -15.802 -0.268 1.00 0.00 C ATOM 69 O CYS A 8 -5.124 -16.985 0.074 1.00 0.00 O ATOM 70 CB CYS A 8 -6.565 -14.181 0.966 1.00 0.00 C ATOM 71 SG CYS A 8 -5.223 -12.988 1.270 1.00 0.00 S ATOM 0 H CYS A 8 -8.312 -15.716 0.145 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.344 -14.302 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.513 -13.644 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.622 -14.870 1.808 1.00 0.00 H new ATOM 76 N LYS A 9 -4.000 -15.159 -0.608 1.00 0.00 N ATOM 77 CA LYS A 9 -2.700 -15.819 -0.596 1.00 0.00 C ATOM 78 C LYS A 9 -1.957 -15.534 0.705 1.00 0.00 C ATOM 79 O LYS A 9 -1.151 -16.347 1.163 1.00 0.00 O ATOM 80 CB LYS A 9 -1.859 -15.358 -1.788 1.00 0.00 C ATOM 81 CG LYS A 9 -2.061 -16.199 -3.036 1.00 0.00 C ATOM 82 CD LYS A 9 -1.011 -15.891 -4.091 1.00 0.00 C ATOM 83 CE LYS A 9 -1.313 -14.588 -4.815 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.332 -14.771 -5.884 1.00 0.00 N ATOM 0 H LYS A 9 -3.973 -14.181 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.866 -16.894 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.104 -14.321 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.805 -15.383 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.017 -17.256 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.054 -16.013 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.029 -15.828 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.968 -16.707 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.668 -13.848 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.395 -14.194 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.510 -13.860 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.983 -15.458 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.216 -15.123 -5.464 1.00 0.00 H new ATOM 98 N LEU A 10 -2.232 -14.377 1.298 1.00 0.00 N ATOM 99 CA LEU A 10 -1.590 -13.986 2.547 1.00 0.00 C ATOM 100 C LEU A 10 -2.200 -14.731 3.729 1.00 0.00 C ATOM 101 O LEU A 10 -1.566 -15.606 4.320 1.00 0.00 O ATOM 102 CB LEU A 10 -1.720 -12.477 2.759 1.00 0.00 C ATOM 103 CG LEU A 10 -1.011 -11.591 1.734 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.403 -10.135 1.924 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.498 -11.757 1.838 1.00 0.00 C ATOM 0 H LEU A 10 -2.896 -13.694 0.933 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.534 -14.248 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.779 -12.221 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.332 -12.235 3.749 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.323 -11.902 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.888 -9.520 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.480 -10.029 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.122 -9.810 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.986 -11.119 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.827 -11.474 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.763 -12.797 1.650 1.00 0.00 H new ATOM 117 N CYS A 11 -3.436 -14.379 4.071 1.00 0.00 N ATOM 118 CA CYS A 11 -4.134 -15.015 5.181 1.00 0.00 C ATOM 119 C CYS A 11 -4.959 -16.204 4.696 1.00 0.00 C ATOM 120 O CYS A 11 -5.221 -17.142 5.450 1.00 0.00 O ATOM 121 CB CYS A 11 -5.041 -14.005 5.886 1.00 0.00 C ATOM 122 SG CYS A 11 -6.449 -13.440 4.878 1.00 0.00 S ATOM 0 H CYS A 11 -3.974 -13.656 3.594 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.387 -15.378 5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.422 -14.453 6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.446 -13.139 6.177 1.00 0.00 H new ATOM 127 N LEU A 12 -5.364 -16.159 3.431 1.00 0.00 N ATOM 128 CA LEU A 12 -6.159 -17.232 2.844 1.00 0.00 C ATOM 129 C LEU A 12 -7.436 -17.465 3.646 1.00 0.00 C ATOM 130 O LEU A 12 -7.715 -18.583 4.078 1.00 0.00 O ATOM 131 CB LEU A 12 -5.341 -18.523 2.781 1.00 0.00 C ATOM 132 CG LEU A 12 -3.883 -18.373 2.342 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.975 -18.225 3.553 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.457 -19.563 1.495 1.00 0.00 C ATOM 0 H LEU A 12 -5.155 -15.391 2.793 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.436 -16.934 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.357 -18.988 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.837 -19.211 2.096 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.796 -17.471 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.942 -18.119 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.266 -17.341 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.065 -19.108 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.417 -19.440 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.559 -20.479 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.089 -19.624 0.609 1.00 0.00 H new ATOM 146 N GLY A 13 -8.210 -16.401 3.837 1.00 0.00 N ATOM 147 CA GLY A 13 -9.450 -16.511 4.584 1.00 0.00 C ATOM 148 C GLY A 13 -10.588 -17.055 3.743 1.00 0.00 C ATOM 149 O GLY A 13 -11.659 -17.362 4.262 1.00 0.00 O ATOM 0 H GLY A 13 -8.001 -15.466 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.295 -17.162 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.725 -15.530 4.971 1.00 0.00 H new ATOM 153 N GLU A 14 -10.354 -17.171 2.439 1.00 0.00 N ATOM 154 CA GLU A 14 -11.370 -17.678 1.524 1.00 0.00 C ATOM 155 C GLU A 14 -12.544 -16.708 1.422 1.00 0.00 C ATOM 156 O GLU A 14 -13.698 -17.091 1.620 1.00 0.00 O ATOM 157 CB GLU A 14 -11.866 -19.049 1.987 1.00 0.00 C ATOM 158 CG GLU A 14 -12.442 -19.898 0.867 1.00 0.00 C ATOM 159 CD GLU A 14 -12.500 -21.372 1.222 1.00 0.00 C ATOM 160 OE1 GLU A 14 -12.879 -21.690 2.369 1.00 0.00 O ATOM 161 OE2 GLU A 14 -12.167 -22.205 0.355 1.00 0.00 O ATOM 0 H GLU A 14 -9.471 -16.921 1.993 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.917 -17.777 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.040 -19.587 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.627 -18.910 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.446 -19.546 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.837 -19.768 -0.030 1.00 0.00 H new ATOM 168 N TYR A 15 -12.241 -15.453 1.113 1.00 0.00 N ATOM 169 CA TYR A 15 -13.270 -14.427 0.988 1.00 0.00 C ATOM 170 C TYR A 15 -13.777 -14.336 -0.448 1.00 0.00 C ATOM 171 O TYR A 15 -13.068 -14.651 -1.405 1.00 0.00 O ATOM 172 CB TYR A 15 -12.723 -13.070 1.434 1.00 0.00 C ATOM 173 CG TYR A 15 -12.023 -13.111 2.774 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.731 -12.931 3.956 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.653 -13.328 2.858 1.00 0.00 C ATOM 176 CE1 TYR A 15 -12.095 -12.966 5.182 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.009 -13.366 4.079 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.735 -13.184 5.238 1.00 0.00 C ATOM 179 OH TYR A 15 -10.098 -13.221 6.458 1.00 0.00 O ATOM 0 H TYR A 15 -11.291 -15.121 0.944 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.104 -14.705 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.026 -12.703 0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.544 -12.355 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.797 -12.761 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.082 -13.469 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.660 -12.823 6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.944 -13.537 4.126 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.141 -13.385 6.323 1.00 0.00 H new ATOM 189 N PRO A 16 -15.033 -13.894 -0.605 1.00 0.00 N ATOM 190 CA PRO A 16 -15.664 -13.750 -1.920 1.00 0.00 C ATOM 191 C PRO A 16 -15.059 -12.610 -2.730 1.00 0.00 C ATOM 192 O PRO A 16 -14.692 -11.571 -2.181 1.00 0.00 O ATOM 193 CB PRO A 16 -17.126 -13.449 -1.580 1.00 0.00 C ATOM 194 CG PRO A 16 -17.081 -12.840 -0.221 1.00 0.00 C ATOM 195 CD PRO A 16 -15.935 -13.502 0.491 1.00 0.00 C ATOM 0 HA PRO A 16 -15.530 -14.639 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.569 -12.766 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.729 -14.357 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.933 -11.762 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.018 -13.004 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.448 -12.821 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.265 -14.366 1.068 1.00 0.00 H new ATOM 203 N VAL A 17 -14.959 -12.810 -4.041 1.00 0.00 N ATOM 204 CA VAL A 17 -14.399 -11.797 -4.929 1.00 0.00 C ATOM 205 C VAL A 17 -14.875 -10.402 -4.539 1.00 0.00 C ATOM 206 O VAL A 17 -14.122 -9.433 -4.625 1.00 0.00 O ATOM 207 CB VAL A 17 -14.778 -12.067 -6.397 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.161 -13.371 -6.877 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.291 -12.090 -6.560 1.00 0.00 C ATOM 0 H VAL A 17 -15.258 -13.664 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.315 -11.849 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.381 -11.259 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.440 -13.545 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.076 -13.311 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.525 -14.194 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.542 -12.282 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.712 -12.877 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.704 -11.127 -6.259 1.00 0.00 H new ATOM 219 N GLU A 18 -16.130 -10.309 -4.111 1.00 0.00 N ATOM 220 CA GLU A 18 -16.707 -9.032 -3.708 1.00 0.00 C ATOM 221 C GLU A 18 -15.790 -8.306 -2.728 1.00 0.00 C ATOM 222 O GLU A 18 -15.575 -7.100 -2.843 1.00 0.00 O ATOM 223 CB GLU A 18 -18.083 -9.245 -3.075 1.00 0.00 C ATOM 224 CG GLU A 18 -19.212 -9.331 -4.088 1.00 0.00 C ATOM 225 CD GLU A 18 -19.310 -10.697 -4.739 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.210 -11.708 -4.014 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.485 -10.754 -5.974 1.00 0.00 O ATOM 0 H GLU A 18 -16.766 -11.102 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.818 -8.415 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.064 -10.162 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.287 -8.426 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -20.156 -9.099 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.061 -8.575 -4.859 1.00 0.00 H new ATOM 234 N GLN A 19 -15.255 -9.050 -1.766 1.00 0.00 N ATOM 235 CA GLN A 19 -14.363 -8.477 -0.765 1.00 0.00 C ATOM 236 C GLN A 19 -12.905 -8.765 -1.106 1.00 0.00 C ATOM 237 O GLN A 19 -12.129 -9.190 -0.251 1.00 0.00 O ATOM 238 CB GLN A 19 -14.693 -9.032 0.621 1.00 0.00 C ATOM 239 CG GLN A 19 -16.115 -8.737 1.072 1.00 0.00 C ATOM 240 CD GLN A 19 -16.360 -9.118 2.518 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.445 -9.096 3.342 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.601 -9.470 2.836 1.00 0.00 N ATOM 0 H GLN A 19 -15.423 -10.050 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.510 -7.397 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.538 -10.111 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.996 -8.612 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.321 -7.675 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.814 -9.278 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.329 -9.474 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.826 -9.736 3.795 1.00 0.00 H new ATOM 251 N MET A 20 -12.538 -8.532 -2.362 1.00 0.00 N ATOM 252 CA MET A 20 -11.173 -8.765 -2.817 1.00 0.00 C ATOM 253 C MET A 20 -10.779 -7.762 -3.896 1.00 0.00 C ATOM 254 O MET A 20 -11.636 -7.123 -4.507 1.00 0.00 O ATOM 255 CB MET A 20 -11.028 -10.191 -3.351 1.00 0.00 C ATOM 256 CG MET A 20 -11.531 -11.255 -2.389 1.00 0.00 C ATOM 257 SD MET A 20 -10.459 -11.455 -0.953 1.00 0.00 S ATOM 258 CE MET A 20 -9.166 -12.489 -1.635 1.00 0.00 C ATOM 0 H MET A 20 -13.168 -8.182 -3.083 1.00 0.00 H new ATOM 0 HA MET A 20 -10.506 -8.634 -1.965 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.574 -10.275 -4.291 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.978 -10.382 -3.574 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.535 -10.992 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.609 -12.207 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.199 -12.161 -1.254 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.338 -13.525 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.173 -12.411 -2.722 1.00 0.00 H new ATOM 268 N THR A 21 -9.477 -7.629 -4.128 1.00 0.00 N ATOM 269 CA THR A 21 -8.970 -6.704 -5.133 1.00 0.00 C ATOM 270 C THR A 21 -7.950 -7.381 -6.040 1.00 0.00 C ATOM 271 O THR A 21 -7.005 -8.013 -5.567 1.00 0.00 O ATOM 272 CB THR A 21 -8.320 -5.468 -4.482 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.293 -4.753 -3.711 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.727 -4.548 -5.538 1.00 0.00 C ATOM 0 H THR A 21 -8.754 -8.151 -3.633 1.00 0.00 H new ATOM 0 HA THR A 21 -9.826 -6.385 -5.728 1.00 0.00 H new ATOM 0 HB THR A 21 -7.517 -5.809 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.872 -3.970 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.274 -3.683 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.967 -5.086 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.515 -4.215 -6.214 1.00 0.00 H new ATOM 282 N THR A 22 -8.145 -7.245 -7.348 1.00 0.00 N ATOM 283 CA THR A 22 -7.241 -7.844 -8.322 1.00 0.00 C ATOM 284 C THR A 22 -6.263 -6.814 -8.873 1.00 0.00 C ATOM 285 O THR A 22 -6.669 -5.764 -9.372 1.00 0.00 O ATOM 286 CB THR A 22 -8.017 -8.476 -9.493 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.933 -9.459 -9.000 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.064 -9.118 -10.491 1.00 0.00 C ATOM 0 H THR A 22 -8.921 -6.725 -7.757 1.00 0.00 H new ATOM 0 HA THR A 22 -6.686 -8.623 -7.800 1.00 0.00 H new ATOM 0 HB THR A 22 -8.571 -7.686 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.423 -9.855 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.635 -9.557 -11.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.387 -8.361 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.486 -9.896 -9.993 1.00 0.00 H new ATOM 296 N ILE A 23 -4.973 -7.119 -8.779 1.00 0.00 N ATOM 297 CA ILE A 23 -3.938 -6.218 -9.270 1.00 0.00 C ATOM 298 C ILE A 23 -3.803 -6.310 -10.786 1.00 0.00 C ATOM 299 O ILE A 23 -3.655 -7.398 -11.341 1.00 0.00 O ATOM 300 CB ILE A 23 -2.573 -6.524 -8.625 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.703 -6.567 -7.101 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.544 -5.486 -9.045 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.546 -7.259 -6.414 1.00 0.00 C ATOM 0 H ILE A 23 -4.620 -7.983 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.243 -5.208 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.236 -7.501 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.783 -5.548 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.629 -7.078 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.585 -5.716 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.435 -5.500 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.874 -4.497 -8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.706 -7.252 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.479 -8.289 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.619 -6.735 -6.647 1.00 0.00 H new ATOM 315 N ALA A 24 -3.853 -5.160 -11.450 1.00 0.00 N ATOM 316 CA ALA A 24 -3.733 -5.109 -12.902 1.00 0.00 C ATOM 317 C ALA A 24 -2.269 -5.090 -13.330 1.00 0.00 C ATOM 318 O ALA A 24 -1.944 -4.665 -14.439 1.00 0.00 O ATOM 319 CB ALA A 24 -4.461 -3.892 -13.450 1.00 0.00 C ATOM 0 H ALA A 24 -3.976 -4.250 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.194 -6.008 -13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.363 -3.867 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.516 -3.948 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.027 -2.987 -13.026 1.00 0.00 H new ATOM 325 N GLN A 25 -1.391 -5.552 -12.446 1.00 0.00 N ATOM 326 CA GLN A 25 0.037 -5.586 -12.734 1.00 0.00 C ATOM 327 C GLN A 25 0.551 -7.021 -12.772 1.00 0.00 C ATOM 328 O GLN A 25 1.290 -7.403 -13.679 1.00 0.00 O ATOM 329 CB GLN A 25 0.809 -4.782 -11.685 1.00 0.00 C ATOM 330 CG GLN A 25 0.905 -3.299 -12.005 1.00 0.00 C ATOM 331 CD GLN A 25 2.095 -2.968 -12.884 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.401 -3.691 -13.833 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.774 -1.869 -12.573 1.00 0.00 N ATOM 0 H GLN A 25 -1.644 -5.908 -11.524 1.00 0.00 H new ATOM 0 HA GLN A 25 0.195 -5.137 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.325 -4.906 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.815 -5.191 -11.593 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.010 -2.979 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.976 -2.734 -11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.485 -1.299 -11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.584 -1.595 -13.129 1.00 0.00 H new ATOM 342 N CYS A 26 0.156 -7.812 -11.780 1.00 0.00 N ATOM 343 CA CYS A 26 0.576 -9.206 -11.699 1.00 0.00 C ATOM 344 C CYS A 26 -0.618 -10.121 -11.443 1.00 0.00 C ATOM 345 O CYS A 26 -0.489 -11.158 -10.793 1.00 0.00 O ATOM 346 CB CYS A 26 1.615 -9.382 -10.589 1.00 0.00 C ATOM 347 SG CYS A 26 1.099 -8.717 -8.975 1.00 0.00 S ATOM 0 H CYS A 26 -0.455 -7.511 -11.021 1.00 0.00 H new ATOM 0 HA CYS A 26 1.023 -9.481 -12.654 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.836 -10.444 -10.478 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.541 -8.893 -10.892 1.00 0.00 H new ATOM 352 N GLN A 27 -1.778 -9.728 -11.958 1.00 0.00 N ATOM 353 CA GLN A 27 -2.995 -10.512 -11.785 1.00 0.00 C ATOM 354 C GLN A 27 -3.011 -11.198 -10.422 1.00 0.00 C ATOM 355 O GLN A 27 -3.390 -12.364 -10.307 1.00 0.00 O ATOM 356 CB GLN A 27 -3.117 -11.556 -12.896 1.00 0.00 C ATOM 357 CG GLN A 27 -3.587 -10.980 -14.223 1.00 0.00 C ATOM 358 CD GLN A 27 -5.040 -10.547 -14.189 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.929 -11.341 -13.875 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.289 -9.284 -14.513 1.00 0.00 N ATOM 0 H GLN A 27 -1.901 -8.872 -12.498 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.846 -9.833 -11.840 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.149 -12.036 -13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.814 -12.332 -12.579 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.963 -10.126 -14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.452 -11.726 -15.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.522 -8.662 -14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.248 -8.936 -14.508 1.00 0.00 H new ATOM 369 N CYS A 28 -2.597 -10.468 -9.392 1.00 0.00 N ATOM 370 CA CYS A 28 -2.562 -11.005 -8.038 1.00 0.00 C ATOM 371 C CYS A 28 -3.731 -10.475 -7.212 1.00 0.00 C ATOM 372 O CYS A 28 -3.895 -9.265 -7.057 1.00 0.00 O ATOM 373 CB CYS A 28 -1.239 -10.647 -7.358 1.00 0.00 C ATOM 374 SG CYS A 28 0.184 -11.624 -7.941 1.00 0.00 S ATOM 0 H CYS A 28 -2.281 -9.501 -9.470 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.647 -12.090 -8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.032 -9.590 -7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.346 -10.787 -6.282 1.00 0.00 H new ATOM 379 N ILE A 29 -4.538 -11.388 -6.684 1.00 0.00 N ATOM 380 CA ILE A 29 -5.690 -11.013 -5.874 1.00 0.00 C ATOM 381 C ILE A 29 -5.335 -10.991 -4.391 1.00 0.00 C ATOM 382 O ILE A 29 -4.539 -11.804 -3.920 1.00 0.00 O ATOM 383 CB ILE A 29 -6.871 -11.976 -6.093 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.141 -11.416 -5.450 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.545 -13.351 -5.528 1.00 0.00 C ATOM 386 CD1 ILE A 29 -8.949 -10.534 -6.375 1.00 0.00 C ATOM 0 H ILE A 29 -4.415 -12.394 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.985 -10.012 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.044 -12.077 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.765 -12.245 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.868 -10.844 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.390 -14.021 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.663 -13.751 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.348 -13.268 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.835 -10.173 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.342 -9.685 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.253 -11.107 -7.251 1.00 0.00 H new ATOM 398 N PHE A 30 -5.932 -10.057 -3.659 1.00 0.00 N ATOM 399 CA PHE A 30 -5.680 -9.930 -2.229 1.00 0.00 C ATOM 400 C PHE A 30 -6.877 -9.304 -1.519 1.00 0.00 C ATOM 401 O PHE A 30 -7.513 -8.387 -2.040 1.00 0.00 O ATOM 402 CB PHE A 30 -4.428 -9.084 -1.983 1.00 0.00 C ATOM 403 CG PHE A 30 -3.171 -9.700 -2.529 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.776 -10.967 -2.130 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.385 -9.011 -3.439 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.621 -11.536 -2.632 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.230 -9.576 -3.943 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.846 -10.840 -3.539 1.00 0.00 C ATOM 0 H PHE A 30 -6.594 -9.377 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.521 -10.929 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.568 -8.102 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.310 -8.927 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.377 -11.515 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.679 -8.022 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.324 -12.525 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.627 -9.030 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.058 -11.283 -3.931 1.00 0.00 H new ATOM 418 N CYS A 31 -7.180 -9.807 -0.326 1.00 0.00 N ATOM 419 CA CYS A 31 -8.300 -9.301 0.456 1.00 0.00 C ATOM 420 C CYS A 31 -8.031 -7.877 0.933 1.00 0.00 C ATOM 421 O CYS A 31 -6.962 -7.580 1.469 1.00 0.00 O ATOM 422 CB CYS A 31 -8.564 -10.212 1.657 1.00 0.00 C ATOM 423 SG CYS A 31 -7.311 -10.087 2.974 1.00 0.00 S ATOM 0 H CYS A 31 -6.664 -10.566 0.120 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.182 -9.290 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.541 -9.970 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.612 -11.245 1.312 1.00 0.00 H new ATOM 428 N THR A 32 -9.009 -6.998 0.736 1.00 0.00 N ATOM 429 CA THR A 32 -8.877 -5.605 1.145 1.00 0.00 C ATOM 430 C THR A 32 -8.018 -5.478 2.397 1.00 0.00 C ATOM 431 O THR A 32 -6.928 -4.905 2.359 1.00 0.00 O ATOM 432 CB THR A 32 -10.254 -4.966 1.414 1.00 0.00 C ATOM 433 OG1 THR A 32 -11.048 -4.996 0.223 1.00 0.00 O ATOM 434 CG2 THR A 32 -10.100 -3.531 1.893 1.00 0.00 C ATOM 0 H THR A 32 -9.901 -7.226 0.296 1.00 0.00 H new ATOM 0 HA THR A 32 -8.394 -5.079 0.322 1.00 0.00 H new ATOM 0 HB THR A 32 -10.751 -5.541 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.922 -4.590 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.085 -3.101 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.520 -3.516 2.816 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.585 -2.946 1.131 1.00 0.00 H new ATOM 442 N LEU A 33 -8.514 -6.015 3.507 1.00 0.00 N ATOM 443 CA LEU A 33 -7.789 -5.962 4.772 1.00 0.00 C ATOM 444 C LEU A 33 -6.287 -6.092 4.545 1.00 0.00 C ATOM 445 O LEU A 33 -5.532 -5.141 4.758 1.00 0.00 O ATOM 446 CB LEU A 33 -8.273 -7.073 5.706 1.00 0.00 C ATOM 447 CG LEU A 33 -9.773 -7.094 6.004 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.213 -8.486 6.428 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.115 -6.074 7.081 1.00 0.00 C ATOM 0 H LEU A 33 -9.414 -6.492 3.556 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.985 -4.995 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.996 -8.033 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.736 -6.985 6.651 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.310 -6.827 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.283 -8.482 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.002 -9.194 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.670 -8.781 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.186 -6.102 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.569 -6.312 7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.835 -5.077 6.740 1.00 0.00 H new ATOM 461 N CYS A 34 -5.858 -7.271 4.110 1.00 0.00 N ATOM 462 CA CYS A 34 -4.446 -7.524 3.851 1.00 0.00 C ATOM 463 C CYS A 34 -3.822 -6.375 3.067 1.00 0.00 C ATOM 464 O CYS A 34 -2.867 -5.743 3.523 1.00 0.00 O ATOM 465 CB CYS A 34 -4.274 -8.835 3.081 1.00 0.00 C ATOM 466 SG CYS A 34 -4.336 -10.326 4.126 1.00 0.00 S ATOM 0 H CYS A 34 -6.469 -8.068 3.929 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.935 -7.604 4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.054 -8.903 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.319 -8.812 2.555 1.00 0.00 H new ATOM 471 N LEU A 35 -4.366 -6.108 1.885 1.00 0.00 N ATOM 472 CA LEU A 35 -3.863 -5.033 1.036 1.00 0.00 C ATOM 473 C LEU A 35 -3.755 -3.728 1.817 1.00 0.00 C ATOM 474 O LEU A 35 -2.847 -2.927 1.587 1.00 0.00 O ATOM 475 CB LEU A 35 -4.779 -4.843 -0.174 1.00 0.00 C ATOM 476 CG LEU A 35 -4.384 -5.603 -1.441 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.529 -5.602 -2.443 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.132 -4.998 -2.058 1.00 0.00 C ATOM 0 H LEU A 35 -5.155 -6.621 1.492 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.867 -5.311 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.787 -5.146 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.820 -3.780 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.167 -6.636 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.230 -6.147 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.401 -6.083 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.778 -4.575 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.866 -5.552 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.320 -3.956 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.311 -5.052 -1.343 1.00 0.00 H new ATOM 490 N LYS A 36 -4.685 -3.518 2.742 1.00 0.00 N ATOM 491 CA LYS A 36 -4.694 -2.312 3.561 1.00 0.00 C ATOM 492 C LYS A 36 -3.502 -2.292 4.512 1.00 0.00 C ATOM 493 O LYS A 36 -2.621 -1.440 4.398 1.00 0.00 O ATOM 494 CB LYS A 36 -5.998 -2.221 4.357 1.00 0.00 C ATOM 495 CG LYS A 36 -6.224 -0.862 4.997 1.00 0.00 C ATOM 496 CD LYS A 36 -7.161 -0.957 6.191 1.00 0.00 C ATOM 497 CE LYS A 36 -7.745 0.400 6.551 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.832 0.285 7.562 1.00 0.00 N ATOM 0 H LYS A 36 -5.444 -4.169 2.944 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.621 -1.451 2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.835 -2.446 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.993 -2.984 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.268 -0.445 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.641 -0.176 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.969 -1.654 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.621 -1.361 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.955 1.044 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.134 0.878 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.204 1.231 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.597 -0.309 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.455 -0.148 8.429 1.00 0.00 H new ATOM 512 N GLN A 37 -3.481 -3.235 5.448 1.00 0.00 N ATOM 513 CA GLN A 37 -2.396 -3.325 6.418 1.00 0.00 C ATOM 514 C GLN A 37 -1.046 -3.423 5.715 1.00 0.00 C ATOM 515 O GLN A 37 -0.034 -2.939 6.224 1.00 0.00 O ATOM 516 CB GLN A 37 -2.600 -4.535 7.331 1.00 0.00 C ATOM 517 CG GLN A 37 -3.517 -4.260 8.511 1.00 0.00 C ATOM 518 CD GLN A 37 -4.983 -4.421 8.161 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.553 -5.503 8.306 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.602 -3.342 7.695 1.00 0.00 N ATOM 0 H GLN A 37 -4.203 -3.948 5.555 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.405 -2.418 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.013 -5.356 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.631 -4.865 7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.266 -4.938 9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.343 -3.247 8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.091 -2.466 7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.589 -3.390 7.441 1.00 0.00 H new ATOM 529 N TYR A 38 -1.037 -4.053 4.546 1.00 0.00 N ATOM 530 CA TYR A 38 0.191 -4.216 3.776 1.00 0.00 C ATOM 531 C TYR A 38 0.755 -2.863 3.356 1.00 0.00 C ATOM 532 O TYR A 38 1.768 -2.407 3.886 1.00 0.00 O ATOM 533 CB TYR A 38 -0.070 -5.079 2.540 1.00 0.00 C ATOM 534 CG TYR A 38 1.136 -5.225 1.639 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.241 -5.967 2.038 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.170 -4.620 0.389 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.345 -6.101 1.217 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.268 -4.751 -0.439 1.00 0.00 C ATOM 539 CZ TYR A 38 3.353 -5.492 -0.020 1.00 0.00 C ATOM 540 OH TYR A 38 4.450 -5.624 -0.840 1.00 0.00 O ATOM 0 H TYR A 38 -1.865 -4.459 4.111 1.00 0.00 H new ATOM 0 HA TYR A 38 0.925 -4.713 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.396 -6.069 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.889 -4.643 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.237 -6.447 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.323 -4.037 0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.197 -6.680 1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.277 -4.276 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 38 4.218 -5.334 -1.747 1.00 0.00 H new ATOM 550 N VAL A 39 0.091 -2.224 2.397 1.00 0.00 N ATOM 551 CA VAL A 39 0.524 -0.922 1.906 1.00 0.00 C ATOM 552 C VAL A 39 0.742 0.056 3.054 1.00 0.00 C ATOM 553 O VAL A 39 1.643 0.892 3.008 1.00 0.00 O ATOM 554 CB VAL A 39 -0.502 -0.323 0.924 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.823 -1.315 -0.184 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.766 0.091 1.663 1.00 0.00 C ATOM 0 H VAL A 39 -0.748 -2.587 1.945 1.00 0.00 H new ATOM 0 HA VAL A 39 1.468 -1.080 1.384 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.067 0.566 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.549 -0.875 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.089 -1.558 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.239 -2.224 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.480 0.512 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.206 -0.781 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.519 0.839 2.417 1.00 0.00 H new ATOM 566 N GLU A 40 -0.089 -0.058 4.086 1.00 0.00 N ATOM 567 CA GLU A 40 0.013 0.816 5.248 1.00 0.00 C ATOM 568 C GLU A 40 1.372 0.666 5.925 1.00 0.00 C ATOM 569 O GLU A 40 2.172 1.602 5.952 1.00 0.00 O ATOM 570 CB GLU A 40 -1.104 0.507 6.247 1.00 0.00 C ATOM 571 CG GLU A 40 -2.357 1.339 6.037 1.00 0.00 C ATOM 572 CD GLU A 40 -3.311 1.264 7.213 1.00 0.00 C ATOM 573 OE1 GLU A 40 -2.830 1.134 8.359 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.537 1.336 6.990 1.00 0.00 O ATOM 0 H GLU A 40 -0.839 -0.747 4.140 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.091 1.846 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.363 -0.549 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.732 0.675 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.075 2.378 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.868 0.998 5.137 1.00 0.00 H new ATOM 581 N LEU A 41 1.628 -0.518 6.469 1.00 0.00 N ATOM 582 CA LEU A 41 2.890 -0.794 7.147 1.00 0.00 C ATOM 583 C LEU A 41 4.073 -0.324 6.305 1.00 0.00 C ATOM 584 O LEU A 41 5.018 0.273 6.822 1.00 0.00 O ATOM 585 CB LEU A 41 3.019 -2.289 7.439 1.00 0.00 C ATOM 586 CG LEU A 41 2.072 -2.850 8.501 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.744 -3.972 9.276 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.617 -1.746 9.444 1.00 0.00 C ATOM 0 H LEU A 41 0.978 -1.304 6.454 1.00 0.00 H new ATOM 0 HA LEU A 41 2.896 -0.245 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.856 -2.836 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.044 -2.491 7.752 1.00 0.00 H new ATOM 0 HG LEU A 41 1.194 -3.258 8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.055 -4.359 10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.020 -4.773 8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.639 -3.590 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.944 -2.162 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.485 -1.309 9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.096 -0.975 8.877 1.00 0.00 H new ATOM 600 N LEU A 42 4.013 -0.597 5.006 1.00 0.00 N ATOM 601 CA LEU A 42 5.078 -0.200 4.092 1.00 0.00 C ATOM 602 C LEU A 42 5.291 1.310 4.126 1.00 0.00 C ATOM 603 O LEU A 42 6.379 1.786 4.452 1.00 0.00 O ATOM 604 CB LEU A 42 4.748 -0.648 2.667 1.00 0.00 C ATOM 605 CG LEU A 42 5.239 -2.040 2.271 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.756 -2.400 0.874 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.757 -2.112 2.346 1.00 0.00 C ATOM 0 H LEU A 42 3.239 -1.091 4.563 1.00 0.00 H new ATOM 0 HA LEU A 42 5.999 -0.685 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.666 -0.616 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.173 0.077 1.972 1.00 0.00 H new ATOM 0 HG LEU A 42 4.825 -2.763 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.116 -3.394 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.666 -2.390 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.140 -1.673 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.088 -3.110 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.190 -1.378 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.081 -1.899 3.365 1.00 0.00 H new ATOM 619 N ILE A 43 4.246 2.057 3.788 1.00 0.00 N ATOM 620 CA ILE A 43 4.317 3.513 3.783 1.00 0.00 C ATOM 621 C ILE A 43 4.843 4.043 5.113 1.00 0.00 C ATOM 622 O ILE A 43 5.835 4.771 5.156 1.00 0.00 O ATOM 623 CB ILE A 43 2.941 4.144 3.500 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.513 3.865 2.057 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.979 5.642 3.766 1.00 0.00 C ATOM 626 CD1 ILE A 43 1.026 4.015 1.828 1.00 0.00 C ATOM 0 H ILE A 43 3.340 1.678 3.514 1.00 0.00 H new ATOM 0 HA ILE A 43 5.006 3.792 2.985 1.00 0.00 H new ATOM 0 HB ILE A 43 2.208 3.694 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.045 4.544 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.814 2.853 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.999 6.073 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.243 5.820 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.722 6.108 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.795 3.802 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.487 3.317 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.722 5.034 2.066 1.00 0.00 H new ATOM 638 N LYS A 44 4.173 3.670 6.197 1.00 0.00 N ATOM 639 CA LYS A 44 4.573 4.102 7.531 1.00 0.00 C ATOM 640 C LYS A 44 6.093 4.139 7.658 1.00 0.00 C ATOM 641 O LYS A 44 6.656 5.083 8.213 1.00 0.00 O ATOM 642 CB LYS A 44 3.985 3.170 8.592 1.00 0.00 C ATOM 643 CG LYS A 44 2.644 3.635 9.134 1.00 0.00 C ATOM 644 CD LYS A 44 1.521 3.377 8.144 1.00 0.00 C ATOM 645 CE LYS A 44 0.174 3.804 8.705 1.00 0.00 C ATOM 646 NZ LYS A 44 -0.504 2.692 9.426 1.00 0.00 N ATOM 0 H LYS A 44 3.349 3.069 6.178 1.00 0.00 H new ATOM 0 HA LYS A 44 4.187 5.109 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.869 2.174 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.691 3.082 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.430 3.119 10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.692 4.700 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.719 3.918 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.492 2.317 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.314 4.645 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.464 4.152 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.278 2.319 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.181 1.934 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.890 3.045 10.325 1.00 0.00 H new ATOM 660 N GLU A 45 6.751 3.107 7.139 1.00 0.00 N ATOM 661 CA GLU A 45 8.205 3.023 7.194 1.00 0.00 C ATOM 662 C GLU A 45 8.845 4.307 6.672 1.00 0.00 C ATOM 663 O GLU A 45 9.456 5.061 7.428 1.00 0.00 O ATOM 664 CB GLU A 45 8.700 1.826 6.381 1.00 0.00 C ATOM 665 CG GLU A 45 10.198 1.591 6.494 1.00 0.00 C ATOM 666 CD GLU A 45 10.599 0.185 6.092 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.080 -0.776 6.696 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.434 0.046 5.173 1.00 0.00 O ATOM 0 H GLU A 45 6.300 2.318 6.676 1.00 0.00 H new ATOM 0 HA GLU A 45 8.496 2.890 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.174 0.930 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.443 1.978 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.723 2.309 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.515 1.776 7.520 1.00 0.00 H new ATOM 675 N GLY A 46 8.699 4.547 5.373 1.00 0.00 N ATOM 676 CA GLY A 46 9.267 5.739 4.770 1.00 0.00 C ATOM 677 C GLY A 46 10.394 5.421 3.808 1.00 0.00 C ATOM 678 O GLY A 46 10.529 6.061 2.764 1.00 0.00 O ATOM 0 H GLY A 46 8.198 3.937 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.484 6.283 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.638 6.398 5.555 1.00 0.00 H new ATOM 682 N LEU A 47 11.207 4.430 4.157 1.00 0.00 N ATOM 683 CA LEU A 47 12.330 4.029 3.317 1.00 0.00 C ATOM 684 C LEU A 47 11.871 3.761 1.887 1.00 0.00 C ATOM 685 O LEU A 47 12.299 4.437 0.951 1.00 0.00 O ATOM 686 CB LEU A 47 13.002 2.780 3.891 1.00 0.00 C ATOM 687 CG LEU A 47 13.987 2.064 2.967 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.099 3.009 2.536 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.566 0.835 3.655 1.00 0.00 C ATOM 0 H LEU A 47 11.109 3.889 5.016 1.00 0.00 H new ATOM 0 HA LEU A 47 13.050 4.847 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.529 3.062 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.224 2.073 4.178 1.00 0.00 H new ATOM 0 HG LEU A 47 13.449 1.739 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.790 2.482 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.669 3.858 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.635 3.365 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.265 0.337 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.088 1.138 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.760 0.149 3.913 1.00 0.00 H new ATOM 701 N GLU A 48 10.997 2.773 1.727 1.00 0.00 N ATOM 702 CA GLU A 48 10.479 2.418 0.410 1.00 0.00 C ATOM 703 C GLU A 48 9.612 3.539 -0.154 1.00 0.00 C ATOM 704 O GLU A 48 8.766 4.098 0.546 1.00 0.00 O ATOM 705 CB GLU A 48 9.671 1.122 0.489 1.00 0.00 C ATOM 706 CG GLU A 48 10.521 -0.133 0.387 1.00 0.00 C ATOM 707 CD GLU A 48 10.962 -0.427 -1.034 1.00 0.00 C ATOM 708 OE1 GLU A 48 11.938 0.203 -1.494 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.331 -1.284 -1.686 1.00 0.00 O ATOM 0 H GLU A 48 10.633 2.204 2.491 1.00 0.00 H new ATOM 0 HA GLU A 48 11.327 2.268 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.122 1.103 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.931 1.116 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.401 -0.023 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.955 -0.982 0.771 1.00 0.00 H new ATOM 716 N THR A 49 9.826 3.863 -1.425 1.00 0.00 N ATOM 717 CA THR A 49 9.065 4.918 -2.083 1.00 0.00 C ATOM 718 C THR A 49 7.864 4.347 -2.828 1.00 0.00 C ATOM 719 O THR A 49 6.843 5.016 -2.985 1.00 0.00 O ATOM 720 CB THR A 49 9.942 5.707 -3.074 1.00 0.00 C ATOM 721 OG1 THR A 49 11.181 6.065 -2.454 1.00 0.00 O ATOM 722 CG2 THR A 49 9.225 6.963 -3.548 1.00 0.00 C ATOM 0 H THR A 49 10.520 3.410 -2.020 1.00 0.00 H new ATOM 0 HA THR A 49 8.716 5.592 -1.301 1.00 0.00 H new ATOM 0 HB THR A 49 10.139 5.071 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.588 6.810 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.863 7.504 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.296 6.686 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.002 7.600 -2.692 1.00 0.00 H new ATOM 730 N ALA A 50 7.992 3.105 -3.284 1.00 0.00 N ATOM 731 CA ALA A 50 6.916 2.443 -4.009 1.00 0.00 C ATOM 732 C ALA A 50 6.427 1.208 -3.260 1.00 0.00 C ATOM 733 O ALA A 50 7.123 0.682 -2.391 1.00 0.00 O ATOM 734 CB ALA A 50 7.377 2.065 -5.409 1.00 0.00 C ATOM 0 H ALA A 50 8.831 2.537 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 50 6.083 3.141 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.563 1.571 -5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.670 2.964 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.229 1.388 -5.341 1.00 0.00 H new ATOM 740 N ILE A 51 5.227 0.751 -3.602 1.00 0.00 N ATOM 741 CA ILE A 51 4.646 -0.421 -2.960 1.00 0.00 C ATOM 742 C ILE A 51 4.611 -1.609 -3.916 1.00 0.00 C ATOM 743 O ILE A 51 3.855 -1.615 -4.888 1.00 0.00 O ATOM 744 CB ILE A 51 3.217 -0.140 -2.458 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.197 1.125 -1.596 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.687 -1.330 -1.674 1.00 0.00 C ATOM 747 CD1 ILE A 51 4.093 1.041 -0.379 1.00 0.00 C ATOM 0 H ILE A 51 4.639 1.174 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 51 5.281 -0.660 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 51 2.569 0.019 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.504 1.975 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.174 1.318 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.676 -1.116 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.671 -2.211 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.333 -1.518 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.029 1.972 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.773 0.212 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.123 0.879 -0.696 1.00 0.00 H new ATOM 759 N SER A 52 5.432 -2.615 -3.633 1.00 0.00 N ATOM 760 CA SER A 52 5.497 -3.808 -4.468 1.00 0.00 C ATOM 761 C SER A 52 4.412 -4.806 -4.076 1.00 0.00 C ATOM 762 O SER A 52 3.597 -4.539 -3.191 1.00 0.00 O ATOM 763 CB SER A 52 6.874 -4.463 -4.352 1.00 0.00 C ATOM 764 OG SER A 52 7.188 -4.756 -3.002 1.00 0.00 O ATOM 0 H SER A 52 6.062 -2.627 -2.831 1.00 0.00 H new ATOM 0 HA SER A 52 5.332 -3.506 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.894 -5.380 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.632 -3.800 -4.769 1.00 0.00 H new ATOM 0 HG SER A 52 8.072 -5.176 -2.955 1.00 0.00 H new ATOM 770 N CYS A 53 4.407 -5.957 -4.740 1.00 0.00 N ATOM 771 CA CYS A 53 3.423 -6.997 -4.463 1.00 0.00 C ATOM 772 C CYS A 53 3.689 -7.651 -3.110 1.00 0.00 C ATOM 773 O CYS A 53 4.826 -7.973 -2.762 1.00 0.00 O ATOM 774 CB CYS A 53 3.443 -8.055 -5.567 1.00 0.00 C ATOM 775 SG CYS A 53 2.242 -9.403 -5.326 1.00 0.00 S ATOM 0 H CYS A 53 5.074 -6.193 -5.475 1.00 0.00 H new ATOM 0 HA CYS A 53 2.438 -6.532 -4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.243 -7.571 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.444 -8.481 -5.629 1.00 0.00 H new ATOM 780 N PRO A 54 2.618 -7.854 -2.330 1.00 0.00 N ATOM 781 CA PRO A 54 2.711 -8.473 -1.004 1.00 0.00 C ATOM 782 C PRO A 54 3.059 -9.955 -1.079 1.00 0.00 C ATOM 783 O PRO A 54 3.119 -10.642 -0.059 1.00 0.00 O ATOM 784 CB PRO A 54 1.306 -8.283 -0.425 1.00 0.00 C ATOM 785 CG PRO A 54 0.417 -8.174 -1.615 1.00 0.00 C ATOM 786 CD PRO A 54 1.233 -7.496 -2.681 1.00 0.00 C ATOM 0 HA PRO A 54 3.501 -8.026 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.021 -9.125 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.251 -7.387 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.084 -9.158 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.478 -7.597 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.967 -7.850 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.083 -6.416 -2.676 1.00 0.00 H new ATOM 794 N ASP A 55 3.287 -10.444 -2.294 1.00 0.00 N ATOM 795 CA ASP A 55 3.630 -11.845 -2.502 1.00 0.00 C ATOM 796 C ASP A 55 5.125 -12.006 -2.763 1.00 0.00 C ATOM 797 O ASP A 55 5.745 -11.167 -3.415 1.00 0.00 O ATOM 798 CB ASP A 55 2.832 -12.421 -3.673 1.00 0.00 C ATOM 799 CG ASP A 55 2.998 -13.921 -3.805 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.857 -14.489 -3.097 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.267 -14.530 -4.615 1.00 0.00 O ATOM 0 H ASP A 55 3.240 -9.890 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 55 3.376 -12.393 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.776 -12.186 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.151 -11.940 -4.598 1.00 0.00 H new ATOM 806 N ALA A 56 5.698 -13.088 -2.246 1.00 0.00 N ATOM 807 CA ALA A 56 7.119 -13.358 -2.424 1.00 0.00 C ATOM 808 C ALA A 56 7.362 -14.243 -3.642 1.00 0.00 C ATOM 809 O ALA A 56 8.363 -14.089 -4.343 1.00 0.00 O ATOM 810 CB ALA A 56 7.693 -14.009 -1.173 1.00 0.00 C ATOM 0 H ALA A 56 5.200 -13.791 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 56 7.626 -12.408 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.755 -14.205 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.562 -13.341 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.174 -14.948 -0.980 1.00 0.00 H new ATOM 816 N ALA A 57 6.441 -15.169 -3.888 1.00 0.00 N ATOM 817 CA ALA A 57 6.555 -16.076 -5.023 1.00 0.00 C ATOM 818 C ALA A 57 5.954 -15.460 -6.281 1.00 0.00 C ATOM 819 O ALA A 57 5.392 -16.163 -7.122 1.00 0.00 O ATOM 820 CB ALA A 57 5.878 -17.402 -4.708 1.00 0.00 C ATOM 0 H ALA A 57 5.608 -15.311 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 57 7.614 -16.255 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.971 -18.070 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.355 -17.857 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.823 -17.230 -4.494 1.00 0.00 H new ATOM 826 N CYS A 58 6.077 -14.143 -6.406 1.00 0.00 N ATOM 827 CA CYS A 58 5.544 -13.431 -7.561 1.00 0.00 C ATOM 828 C CYS A 58 6.661 -13.066 -8.536 1.00 0.00 C ATOM 829 O CYS A 58 7.389 -12.091 -8.348 1.00 0.00 O ATOM 830 CB CYS A 58 4.810 -12.166 -7.114 1.00 0.00 C ATOM 831 SG CYS A 58 3.825 -11.374 -8.425 1.00 0.00 S ATOM 0 H CYS A 58 6.542 -13.547 -5.721 1.00 0.00 H new ATOM 0 HA CYS A 58 4.840 -14.090 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.152 -12.416 -6.281 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.540 -11.449 -6.740 1.00 0.00 H new ATOM 836 N PRO A 59 6.798 -13.865 -9.604 1.00 0.00 N ATOM 837 CA PRO A 59 7.822 -13.646 -10.631 1.00 0.00 C ATOM 838 C PRO A 59 7.543 -12.405 -11.473 1.00 0.00 C ATOM 839 O PRO A 59 8.413 -11.928 -12.200 1.00 0.00 O ATOM 840 CB PRO A 59 7.736 -14.908 -11.492 1.00 0.00 C ATOM 841 CG PRO A 59 6.343 -15.402 -11.304 1.00 0.00 C ATOM 842 CD PRO A 59 5.965 -15.045 -9.893 1.00 0.00 C ATOM 0 HA PRO A 59 8.807 -13.477 -10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.939 -14.687 -12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.466 -15.653 -11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.664 -14.938 -12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.286 -16.479 -11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.902 -14.817 -9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.173 -15.862 -9.202 1.00 0.00 H new ATOM 850 N LYS A 60 6.324 -11.888 -11.369 1.00 0.00 N ATOM 851 CA LYS A 60 5.929 -10.701 -12.119 1.00 0.00 C ATOM 852 C LYS A 60 6.383 -9.431 -11.406 1.00 0.00 C ATOM 853 O LYS A 60 6.869 -8.494 -12.040 1.00 0.00 O ATOM 854 CB LYS A 60 4.411 -10.676 -12.311 1.00 0.00 C ATOM 855 CG LYS A 60 3.935 -9.578 -13.248 1.00 0.00 C ATOM 856 CD LYS A 60 3.808 -10.080 -14.677 1.00 0.00 C ATOM 857 CE LYS A 60 5.137 -10.003 -15.414 1.00 0.00 C ATOM 858 NZ LYS A 60 4.954 -10.057 -16.891 1.00 0.00 N ATOM 0 H LYS A 60 5.592 -12.272 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 60 6.412 -10.741 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.086 -11.641 -12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.932 -10.547 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.971 -9.200 -12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.634 -8.742 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.453 -11.110 -14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.062 -9.488 -15.207 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.649 -9.079 -15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.777 -10.826 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.882 -10.002 -17.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.488 -10.950 -17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.364 -9.257 -17.197 1.00 0.00 H new ATOM 872 N GLN A 61 6.222 -9.409 -10.087 1.00 0.00 N ATOM 873 CA GLN A 61 6.617 -8.253 -9.290 1.00 0.00 C ATOM 874 C GLN A 61 5.741 -7.046 -9.610 1.00 0.00 C ATOM 875 O GLN A 61 6.241 -5.945 -9.831 1.00 0.00 O ATOM 876 CB GLN A 61 8.087 -7.912 -9.540 1.00 0.00 C ATOM 877 CG GLN A 61 9.021 -9.104 -9.400 1.00 0.00 C ATOM 878 CD GLN A 61 10.483 -8.710 -9.464 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.238 -9.216 -10.294 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.891 -7.802 -8.584 1.00 0.00 N ATOM 0 H GLN A 61 5.822 -10.177 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 61 6.484 -8.507 -8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.189 -7.497 -10.543 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.395 -7.135 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.825 -9.605 -8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.807 -9.823 -10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.231 -7.409 -7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.865 -7.498 -8.579 1.00 0.00 H new ATOM 889 N GLY A 62 4.429 -7.263 -9.633 1.00 0.00 N ATOM 890 CA GLY A 62 3.504 -6.184 -9.927 1.00 0.00 C ATOM 891 C GLY A 62 3.324 -5.239 -8.756 1.00 0.00 C ATOM 892 O GLY A 62 2.904 -5.652 -7.675 1.00 0.00 O ATOM 0 H GLY A 62 3.991 -8.166 -9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.866 -5.624 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.537 -6.604 -10.203 1.00 0.00 H new ATOM 896 N HIS A 63 3.645 -3.966 -8.969 1.00 0.00 N ATOM 897 CA HIS A 63 3.518 -2.960 -7.921 1.00 0.00 C ATOM 898 C HIS A 63 2.097 -2.407 -7.869 1.00 0.00 C ATOM 899 O HIS A 63 1.328 -2.551 -8.821 1.00 0.00 O ATOM 900 CB HIS A 63 4.513 -1.822 -8.154 1.00 0.00 C ATOM 901 CG HIS A 63 5.932 -2.199 -7.859 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.597 -3.208 -8.522 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.814 -1.693 -6.964 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.826 -3.307 -8.048 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.984 -2.399 -7.103 1.00 0.00 N ATOM 0 H HIS A 63 3.995 -3.608 -9.858 1.00 0.00 H new ATOM 0 HA HIS A 63 3.739 -3.436 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.441 -1.494 -9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.234 -0.973 -7.530 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.202 -3.787 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.631 -0.885 -6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.575 -4.012 -8.378 1.00 0.00 H new ATOM 913 N LEU A 64 1.754 -1.773 -6.753 1.00 0.00 N ATOM 914 CA LEU A 64 0.425 -1.199 -6.577 1.00 0.00 C ATOM 915 C LEU A 64 0.422 0.285 -6.931 1.00 0.00 C ATOM 916 O LEU A 64 1.109 1.085 -6.297 1.00 0.00 O ATOM 917 CB LEU A 64 -0.048 -1.391 -5.135 1.00 0.00 C ATOM 918 CG LEU A 64 -0.827 -2.676 -4.850 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.191 -2.634 -5.520 1.00 0.00 C ATOM 920 CD2 LEU A 64 -0.039 -3.892 -5.319 1.00 0.00 C ATOM 0 H LEU A 64 2.378 -1.644 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.259 -1.716 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.824 -1.366 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.675 -0.542 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.976 -2.756 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.730 -3.557 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.758 -1.785 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.064 -2.530 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.608 -4.798 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.141 -3.818 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.915 -3.932 -4.793 1.00 0.00 H new ATOM 932 N GLN A 65 -0.356 0.645 -7.947 1.00 0.00 N ATOM 933 CA GLN A 65 -0.450 2.033 -8.383 1.00 0.00 C ATOM 934 C GLN A 65 -1.078 2.903 -7.300 1.00 0.00 C ATOM 935 O GLN A 65 -1.361 2.432 -6.199 1.00 0.00 O ATOM 936 CB GLN A 65 -1.268 2.129 -9.672 1.00 0.00 C ATOM 937 CG GLN A 65 -0.675 1.344 -10.830 1.00 0.00 C ATOM 938 CD GLN A 65 -1.110 -0.108 -10.833 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.655 -0.906 -10.013 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.995 -0.460 -11.758 1.00 0.00 N ATOM 0 H GLN A 65 -0.930 -0.005 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 65 0.559 2.398 -8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.278 1.768 -9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.354 3.177 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.971 1.810 -11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.413 1.394 -10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.346 0.234 -12.418 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.324 -1.424 -11.808 1.00 0.00 H new ATOM 949 N GLU A 66 -1.294 4.175 -7.621 1.00 0.00 N ATOM 950 CA GLU A 66 -1.888 5.111 -6.675 1.00 0.00 C ATOM 951 C GLU A 66 -3.387 4.861 -6.530 1.00 0.00 C ATOM 952 O GLU A 66 -3.904 4.754 -5.419 1.00 0.00 O ATOM 953 CB GLU A 66 -1.642 6.552 -7.125 1.00 0.00 C ATOM 954 CG GLU A 66 -2.230 7.593 -6.186 1.00 0.00 C ATOM 955 CD GLU A 66 -2.442 8.933 -6.861 1.00 0.00 C ATOM 956 OE1 GLU A 66 -1.444 9.543 -7.297 1.00 0.00 O ATOM 957 OE2 GLU A 66 -3.608 9.373 -6.951 1.00 0.00 O ATOM 0 H GLU A 66 -1.066 4.580 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.415 4.955 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.568 6.718 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.067 6.691 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.182 7.231 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.566 7.722 -5.331 1.00 0.00 H new ATOM 964 N ASN A 67 -4.077 4.770 -7.662 1.00 0.00 N ATOM 965 CA ASN A 67 -5.517 4.534 -7.662 1.00 0.00 C ATOM 966 C ASN A 67 -5.913 3.585 -6.534 1.00 0.00 C ATOM 967 O ASN A 67 -6.623 3.971 -5.607 1.00 0.00 O ATOM 968 CB ASN A 67 -5.960 3.957 -9.008 1.00 0.00 C ATOM 969 CG ASN A 67 -7.364 3.387 -8.958 1.00 0.00 C ATOM 970 OD1 ASN A 67 -8.194 3.820 -8.159 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.636 2.410 -9.816 1.00 0.00 N ATOM 0 H ASN A 67 -3.663 4.856 -8.590 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.017 5.489 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.914 4.737 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.264 3.175 -9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.564 1.987 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.917 2.082 -10.461 1.00 0.00 H new ATOM 978 N GLU A 68 -5.447 2.343 -6.623 1.00 0.00 N ATOM 979 CA GLU A 68 -5.754 1.340 -5.609 1.00 0.00 C ATOM 980 C GLU A 68 -5.500 1.888 -4.208 1.00 0.00 C ATOM 981 O GLU A 68 -6.434 2.097 -3.433 1.00 0.00 O ATOM 982 CB GLU A 68 -4.914 0.081 -5.837 1.00 0.00 C ATOM 983 CG GLU A 68 -5.487 -0.850 -6.891 1.00 0.00 C ATOM 984 CD GLU A 68 -5.622 -0.183 -8.247 1.00 0.00 C ATOM 985 OE1 GLU A 68 -4.819 0.728 -8.542 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.528 -0.572 -9.013 1.00 0.00 O ATOM 0 H GLU A 68 -4.857 2.008 -7.385 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.810 1.084 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.907 0.375 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.824 -0.461 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.846 -1.727 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.465 -1.204 -6.565 1.00 0.00 H new ATOM 993 N ILE A 69 -4.230 2.115 -3.889 1.00 0.00 N ATOM 994 CA ILE A 69 -3.853 2.639 -2.582 1.00 0.00 C ATOM 995 C ILE A 69 -4.861 3.673 -2.092 1.00 0.00 C ATOM 996 O ILE A 69 -5.426 3.537 -1.007 1.00 0.00 O ATOM 997 CB ILE A 69 -2.452 3.279 -2.614 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.406 2.246 -3.037 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.107 3.865 -1.253 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.041 2.842 -3.303 1.00 0.00 C ATOM 0 H ILE A 69 -3.445 1.944 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.841 1.793 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.453 4.087 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.318 1.490 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.753 1.737 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.114 4.314 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.840 4.627 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.119 3.074 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.650 2.052 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.115 3.577 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.327 3.326 -2.399 1.00 0.00 H new ATOM 1012 N GLU A 70 -5.081 4.706 -2.900 1.00 0.00 N ATOM 1013 CA GLU A 70 -6.023 5.762 -2.549 1.00 0.00 C ATOM 1014 C GLU A 70 -7.220 5.195 -1.790 1.00 0.00 C ATOM 1015 O GLU A 70 -7.654 5.759 -0.785 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.501 6.489 -3.808 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.346 7.719 -3.517 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.910 8.350 -4.775 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -7.112 8.694 -5.673 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -9.146 8.499 -4.862 1.00 0.00 O ATOM 0 H GLU A 70 -4.620 4.834 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.508 6.472 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.634 6.786 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.080 5.797 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.166 7.443 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.741 8.454 -2.986 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.746 4.079 -2.279 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.894 3.435 -1.649 1.00 0.00 C ATOM 1029 C CYS A 71 -8.476 2.701 -0.379 1.00 0.00 C ATOM 1030 O CYS A 71 -9.100 2.853 0.672 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.557 2.459 -2.622 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.318 3.252 -4.058 1.00 0.00 S ATOM 0 H CYS A 71 -7.397 3.600 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.611 4.210 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -8.810 1.744 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.319 1.891 -2.088 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.850 2.346 -4.823 1.00 0.00 H new ATOM 1038 N MET A 72 -7.418 1.904 -0.484 1.00 0.00 N ATOM 1039 CA MET A 72 -6.917 1.145 0.656 1.00 0.00 C ATOM 1040 C MET A 72 -6.847 2.021 1.903 1.00 0.00 C ATOM 1041 O MET A 72 -7.469 1.718 2.922 1.00 0.00 O ATOM 1042 CB MET A 72 -5.534 0.569 0.345 1.00 0.00 C ATOM 1043 CG MET A 72 -5.578 -0.828 -0.255 1.00 0.00 C ATOM 1044 SD MET A 72 -5.665 -0.808 -2.055 1.00 0.00 S ATOM 1045 CE MET A 72 -4.306 -1.899 -2.471 1.00 0.00 C ATOM 0 H MET A 72 -6.891 1.767 -1.347 1.00 0.00 H new ATOM 0 HA MET A 72 -7.609 0.325 0.847 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.019 1.236 -0.346 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.946 0.543 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.692 -1.381 0.056 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.442 -1.362 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.560 -1.349 -3.044 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.852 -2.280 -1.556 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.678 -2.733 -3.066 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.085 3.107 1.816 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.935 4.027 2.938 1.00 0.00 C ATOM 1057 C VAL A 73 -6.623 5.357 2.653 1.00 0.00 C ATOM 1058 O VAL A 73 -6.723 5.781 1.503 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.451 4.287 3.255 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.655 2.992 3.183 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.877 5.329 2.306 1.00 0.00 C ATOM 0 H VAL A 73 -5.562 3.371 0.981 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.406 3.555 3.800 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.377 4.675 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.608 3.195 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.052 2.280 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.734 2.572 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.827 5.500 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.962 4.972 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.430 6.262 2.413 1.00 0.00 H new ATOM 1071 N ALA A 74 -7.095 6.011 3.709 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.770 7.295 3.574 1.00 0.00 C ATOM 1073 C ALA A 74 -6.783 8.401 3.221 1.00 0.00 C ATOM 1074 O ALA A 74 -5.602 8.142 2.994 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.515 7.638 4.856 1.00 0.00 C ATOM 0 H ALA A 74 -7.022 5.672 4.668 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.490 7.214 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.014 8.600 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.257 6.867 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.808 7.693 5.684 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.275 9.635 3.175 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.434 10.781 2.851 1.00 0.00 C ATOM 1083 C ALA A 75 -5.350 10.982 3.904 1.00 0.00 C ATOM 1084 O ALA A 75 -4.166 11.065 3.580 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.283 12.037 2.718 1.00 0.00 C ATOM 0 H ALA A 75 -8.251 9.867 3.358 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.945 10.583 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.643 12.885 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.017 11.898 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.799 12.229 3.659 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.763 11.059 5.165 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.826 11.253 6.265 1.00 0.00 C ATOM 1093 C GLU A 76 -3.592 10.371 6.090 1.00 0.00 C ATOM 1094 O GLU A 76 -2.487 10.748 6.479 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.503 10.942 7.602 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.395 9.713 7.562 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.811 9.248 8.944 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.456 10.037 9.665 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.492 8.096 9.304 1.00 0.00 O ATOM 0 H GLU A 76 -6.740 10.990 5.450 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.510 12.296 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.736 10.799 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.098 11.803 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.286 9.934 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.870 8.904 7.053 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.792 9.196 5.504 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.697 8.261 5.277 1.00 0.00 C ATOM 1108 C ILE A 77 -2.057 8.484 3.910 1.00 0.00 C ATOM 1109 O ILE A 77 -0.865 8.771 3.811 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.174 6.800 5.375 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.778 6.530 6.755 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -2.020 5.846 5.100 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.752 6.484 7.865 1.00 0.00 C ATOM 0 H ILE A 77 -4.701 8.869 5.178 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.958 8.447 6.056 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.945 6.633 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.510 7.305 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.315 5.582 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.373 4.817 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.630 6.026 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.229 6.011 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.251 6.289 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.033 5.690 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.231 7.440 7.919 1.00 0.00 H new ATOM 1125 N MET A 78 -2.859 8.352 2.859 1.00 0.00 N ATOM 1126 CA MET A 78 -2.373 8.542 1.498 1.00 0.00 C ATOM 1127 C MET A 78 -1.298 9.623 1.451 1.00 0.00 C ATOM 1128 O MET A 78 -0.265 9.456 0.804 1.00 0.00 O ATOM 1129 CB MET A 78 -3.529 8.914 0.568 1.00 0.00 C ATOM 1130 CG MET A 78 -3.206 8.733 -0.906 1.00 0.00 C ATOM 1131 SD MET A 78 -2.932 7.007 -1.350 1.00 0.00 S ATOM 1132 CE MET A 78 -1.949 7.190 -2.836 1.00 0.00 C ATOM 0 H MET A 78 -3.849 8.114 2.924 1.00 0.00 H new ATOM 0 HA MET A 78 -1.934 7.603 1.161 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.397 8.304 0.819 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.807 9.953 0.746 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.024 9.133 -1.505 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.317 9.313 -1.153 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.595 6.212 -3.161 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.558 7.635 -3.623 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.095 7.835 -2.630 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.549 10.731 2.142 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.603 11.840 2.177 1.00 0.00 C ATOM 1144 C GLN A 79 0.814 11.338 2.437 1.00 0.00 C ATOM 1145 O GLN A 79 1.750 11.692 1.721 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.005 12.848 3.254 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.408 14.230 3.048 1.00 0.00 C ATOM 1148 CD GLN A 79 -0.951 14.923 1.813 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.086 15.400 1.804 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.142 14.980 0.761 1.00 0.00 N ATOM 0 H GLN A 79 -2.399 10.884 2.685 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.623 12.332 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.092 12.930 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.695 12.469 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.613 14.845 3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.676 14.145 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.791 14.571 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.454 15.432 -0.098 1.00 0.00 H new ATOM 1159 N ARG A 80 0.964 10.512 3.467 1.00 0.00 N ATOM 1160 CA ARG A 80 2.267 9.962 3.824 1.00 0.00 C ATOM 1161 C ARG A 80 2.972 9.395 2.595 1.00 0.00 C ATOM 1162 O ARG A 80 4.138 9.696 2.342 1.00 0.00 O ATOM 1163 CB ARG A 80 2.111 8.871 4.885 1.00 0.00 C ATOM 1164 CG ARG A 80 1.666 9.398 6.239 1.00 0.00 C ATOM 1165 CD ARG A 80 1.035 8.302 7.084 1.00 0.00 C ATOM 1166 NE ARG A 80 0.151 8.843 8.112 1.00 0.00 N ATOM 1167 CZ ARG A 80 -0.154 8.199 9.233 1.00 0.00 C ATOM 1168 NH1 ARG A 80 0.351 6.996 9.467 1.00 0.00 N ATOM 1169 NH2 ARG A 80 -0.966 8.757 10.121 1.00 0.00 N ATOM 0 H ARG A 80 0.199 10.208 4.070 1.00 0.00 H new ATOM 0 HA ARG A 80 2.876 10.770 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.386 8.136 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.062 8.351 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.522 9.818 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.950 10.208 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.471 7.627 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.820 7.711 7.556 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.255 9.767 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.975 6.563 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.116 6.503 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.357 9.682 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.199 8.261 10.981 1.00 0.00 H new ATOM 1183 N TYR A 81 2.256 8.573 1.835 1.00 0.00 N ATOM 1184 CA TYR A 81 2.814 7.961 0.636 1.00 0.00 C ATOM 1185 C TYR A 81 3.274 9.026 -0.355 1.00 0.00 C ATOM 1186 O TYR A 81 4.430 9.039 -0.779 1.00 0.00 O ATOM 1187 CB TYR A 81 1.780 7.047 -0.024 1.00 0.00 C ATOM 1188 CG TYR A 81 2.313 6.293 -1.220 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.503 5.579 -1.142 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.630 6.295 -2.431 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.995 4.889 -2.233 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.115 5.606 -3.526 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.297 4.905 -3.422 1.00 0.00 C ATOM 1194 OH TYR A 81 3.784 4.219 -4.511 1.00 0.00 O ATOM 0 H TYR A 81 1.288 8.316 2.029 1.00 0.00 H new ATOM 0 HA TYR A 81 3.679 7.367 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.417 6.331 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.924 7.646 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.053 5.563 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.704 6.845 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.922 4.340 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.571 5.617 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 81 3.173 4.332 -5.269 1.00 0.00 H new ATOM 1204 N LYS A 82 2.361 9.919 -0.721 1.00 0.00 N ATOM 1205 CA LYS A 82 2.670 10.990 -1.660 1.00 0.00 C ATOM 1206 C LYS A 82 3.887 11.784 -1.196 1.00 0.00 C ATOM 1207 O LYS A 82 4.748 12.146 -1.999 1.00 0.00 O ATOM 1208 CB LYS A 82 1.468 11.923 -1.815 1.00 0.00 C ATOM 1209 CG LYS A 82 0.434 11.423 -2.809 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.485 12.542 -3.269 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.478 12.054 -4.313 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.652 11.380 -3.690 1.00 0.00 N ATOM 0 H LYS A 82 1.399 9.922 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 82 2.898 10.539 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.992 12.053 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.819 12.905 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.938 10.988 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.158 10.630 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.025 12.946 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.110 13.356 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.820 12.898 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.980 11.362 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.305 11.062 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.329 10.559 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.142 12.048 -3.061 1.00 0.00 H new ATOM 1226 N LYS A 83 3.953 12.053 0.104 1.00 0.00 N ATOM 1227 CA LYS A 83 5.065 12.803 0.675 1.00 0.00 C ATOM 1228 C LYS A 83 6.390 12.094 0.414 1.00 0.00 C ATOM 1229 O LYS A 83 7.406 12.735 0.141 1.00 0.00 O ATOM 1230 CB LYS A 83 4.861 12.989 2.180 1.00 0.00 C ATOM 1231 CG LYS A 83 6.077 13.558 2.893 1.00 0.00 C ATOM 1232 CD LYS A 83 5.750 13.954 4.323 1.00 0.00 C ATOM 1233 CE LYS A 83 7.012 14.167 5.144 1.00 0.00 C ATOM 1234 NZ LYS A 83 7.648 12.877 5.529 1.00 0.00 N ATOM 0 H LYS A 83 3.249 11.762 0.782 1.00 0.00 H new ATOM 0 HA LYS A 83 5.096 13.781 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.011 13.651 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.606 12.027 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.879 12.819 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.445 14.428 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.157 14.868 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.140 13.179 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.721 14.765 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.769 14.734 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.424 13.058 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.940 12.262 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.025 12.409 4.680 1.00 0.00 H new ATOM 1248 N LEU A 84 6.372 10.768 0.499 1.00 0.00 N ATOM 1249 CA LEU A 84 7.573 9.971 0.271 1.00 0.00 C ATOM 1250 C LEU A 84 8.070 10.134 -1.161 1.00 0.00 C ATOM 1251 O LEU A 84 9.212 10.536 -1.391 1.00 0.00 O ATOM 1252 CB LEU A 84 7.293 8.496 0.561 1.00 0.00 C ATOM 1253 CG LEU A 84 6.994 8.143 2.018 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.545 6.695 2.136 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.217 8.397 2.889 1.00 0.00 C ATOM 0 H LEU A 84 5.540 10.222 0.724 1.00 0.00 H new ATOM 0 HA LEU A 84 8.349 10.327 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.447 8.181 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.155 7.913 0.236 1.00 0.00 H new ATOM 0 HG LEU A 84 6.183 8.782 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.337 6.463 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.642 6.545 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.334 6.038 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.987 8.141 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.047 7.783 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.494 9.450 2.829 1.00 0.00 H new ATOM 1267 N GLN A 85 7.206 9.822 -2.122 1.00 0.00 N ATOM 1268 CA GLN A 85 7.558 9.935 -3.533 1.00 0.00 C ATOM 1269 C GLN A 85 7.961 11.364 -3.880 1.00 0.00 C ATOM 1270 O GLN A 85 9.055 11.606 -4.389 1.00 0.00 O ATOM 1271 CB GLN A 85 6.384 9.496 -4.410 1.00 0.00 C ATOM 1272 CG GLN A 85 6.116 8.000 -4.361 1.00 0.00 C ATOM 1273 CD GLN A 85 4.797 7.624 -5.007 1.00 0.00 C ATOM 1274 OE1 GLN A 85 4.768 7.017 -6.079 1.00 0.00 O ATOM 1275 NE2 GLN A 85 3.696 7.981 -4.358 1.00 0.00 N ATOM 0 H GLN A 85 6.257 9.489 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 85 8.409 9.281 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.487 10.028 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.582 9.788 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.926 7.473 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.116 7.668 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.766 8.483 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.780 7.754 -4.744 1.00 0.00 H new ATOM 1284 N PHE A 86 7.068 12.309 -3.602 1.00 0.00 N ATOM 1285 CA PHE A 86 7.330 13.715 -3.886 1.00 0.00 C ATOM 1286 C PHE A 86 8.806 14.045 -3.688 1.00 0.00 C ATOM 1287 O PHE A 86 9.443 14.637 -4.558 1.00 0.00 O ATOM 1288 CB PHE A 86 6.471 14.608 -2.988 1.00 0.00 C ATOM 1289 CG PHE A 86 7.003 16.006 -2.846 1.00 0.00 C ATOM 1290 CD1 PHE A 86 6.727 16.966 -3.805 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.779 16.357 -1.754 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.215 18.253 -3.678 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.269 17.642 -1.620 1.00 0.00 C ATOM 1294 CZ PHE A 86 7.988 18.592 -2.585 1.00 0.00 C ATOM 0 H PHE A 86 6.157 12.126 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 86 7.071 13.903 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.460 14.652 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.399 14.153 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.123 16.706 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.004 15.618 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.992 18.993 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.871 17.904 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.372 19.596 -2.484 1.00 0.00 H new ATOM 1304 N GLU A 87 9.342 13.658 -2.535 1.00 0.00 N ATOM 1305 CA GLU A 87 10.743 13.914 -2.220 1.00 0.00 C ATOM 1306 C GLU A 87 11.640 13.552 -3.400 1.00 0.00 C ATOM 1307 O GLU A 87 12.495 14.338 -3.808 1.00 0.00 O ATOM 1308 CB GLU A 87 11.165 13.120 -0.982 1.00 0.00 C ATOM 1309 CG GLU A 87 10.882 13.837 0.328 1.00 0.00 C ATOM 1310 CD GLU A 87 11.065 12.939 1.536 1.00 0.00 C ATOM 1311 OE1 GLU A 87 10.797 11.725 1.420 1.00 0.00 O ATOM 1312 OE2 GLU A 87 11.476 13.452 2.598 1.00 0.00 O ATOM 0 H GLU A 87 8.828 13.166 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 87 10.854 14.979 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.646 12.162 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.232 12.905 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.544 14.698 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.861 14.219 0.315 1.00 0.00 H new ATOM 1319 N ARG A 88 11.439 12.356 -3.944 1.00 0.00 N ATOM 1320 CA ARG A 88 12.230 11.888 -5.075 1.00 0.00 C ATOM 1321 C ARG A 88 11.794 12.576 -6.366 1.00 0.00 C ATOM 1322 O ARG A 88 12.624 13.060 -7.134 1.00 0.00 O ATOM 1323 CB ARG A 88 12.099 10.371 -5.225 1.00 0.00 C ATOM 1324 CG ARG A 88 13.035 9.588 -4.320 1.00 0.00 C ATOM 1325 CD ARG A 88 13.240 8.167 -4.826 1.00 0.00 C ATOM 1326 NE ARG A 88 13.821 8.143 -6.165 1.00 0.00 N ATOM 1327 CZ ARG A 88 13.098 8.109 -7.280 1.00 0.00 C ATOM 1328 NH1 ARG A 88 11.774 8.100 -7.215 1.00 0.00 N ATOM 1329 NH2 ARG A 88 13.701 8.088 -8.462 1.00 0.00 N ATOM 0 H ARG A 88 10.735 11.694 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 88 13.273 12.139 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.071 10.080 -5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.297 10.098 -6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.997 10.097 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.627 9.560 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.891 7.627 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.284 7.644 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 88 14.837 8.153 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.308 8.119 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.221 8.074 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.720 8.098 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.146 8.062 -9.317 1.00 0.00 H new ATOM 1343 N SER A 89 10.485 12.616 -6.596 1.00 0.00 N ATOM 1344 CA SER A 89 9.938 13.241 -7.795 1.00 0.00 C ATOM 1345 C SER A 89 10.773 14.450 -8.206 1.00 0.00 C ATOM 1346 O SER A 89 11.080 14.635 -9.383 1.00 0.00 O ATOM 1347 CB SER A 89 8.488 13.666 -7.557 1.00 0.00 C ATOM 1348 OG SER A 89 7.805 13.857 -8.784 1.00 0.00 O ATOM 0 H SER A 89 9.784 12.223 -5.968 1.00 0.00 H new ATOM 0 HA SER A 89 9.967 12.509 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.975 12.907 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.467 14.589 -6.978 1.00 0.00 H new ATOM 0 HG SER A 89 6.880 14.126 -8.605 1.00 0.00 H new ATOM 1354 N GLY A 90 11.139 15.270 -7.226 1.00 0.00 N ATOM 1355 CA GLY A 90 11.935 16.451 -7.505 1.00 0.00 C ATOM 1356 C GLY A 90 13.095 16.162 -8.437 1.00 0.00 C ATOM 1357 O GLY A 90 13.791 15.155 -8.301 1.00 0.00 O ATOM 0 H GLY A 90 10.899 15.138 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.299 17.217 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.318 16.857 -6.569 1.00 0.00 H new ATOM 1361 N PRO A 91 13.315 17.058 -9.410 1.00 0.00 N ATOM 1362 CA PRO A 91 14.398 16.915 -10.387 1.00 0.00 C ATOM 1363 C PRO A 91 15.775 17.110 -9.761 1.00 0.00 C ATOM 1364 O PRO A 91 16.789 17.115 -10.458 1.00 0.00 O ATOM 1365 CB PRO A 91 14.110 18.024 -11.402 1.00 0.00 C ATOM 1366 CG PRO A 91 13.339 19.045 -10.637 1.00 0.00 C ATOM 1367 CD PRO A 91 12.525 18.281 -9.630 1.00 0.00 C ATOM 0 HA PRO A 91 14.423 15.916 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.033 18.443 -11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.536 17.647 -12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.008 19.750 -10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.696 19.625 -11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.394 18.846 -8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.529 18.053 -10.008 1.00 0.00 H new ATOM 1375 N SER A 92 15.802 17.271 -8.442 1.00 0.00 N ATOM 1376 CA SER A 92 17.054 17.471 -7.723 1.00 0.00 C ATOM 1377 C SER A 92 18.209 16.777 -8.439 1.00 0.00 C ATOM 1378 O SER A 92 18.090 15.628 -8.865 1.00 0.00 O ATOM 1379 CB SER A 92 16.934 16.941 -6.292 1.00 0.00 C ATOM 1380 OG SER A 92 18.134 17.155 -5.567 1.00 0.00 O ATOM 0 H SER A 92 14.971 17.267 -7.850 1.00 0.00 H new ATOM 0 HA SER A 92 17.260 18.541 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.106 17.437 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.703 15.876 -6.313 1.00 0.00 H new ATOM 0 HG SER A 92 18.032 16.810 -4.656 1.00 0.00 H new ATOM 1386 N SER A 93 19.327 17.484 -8.568 1.00 0.00 N ATOM 1387 CA SER A 93 20.503 16.941 -9.237 1.00 0.00 C ATOM 1388 C SER A 93 21.058 15.744 -8.470 1.00 0.00 C ATOM 1389 O SER A 93 21.814 15.902 -7.513 1.00 0.00 O ATOM 1390 CB SER A 93 21.582 18.017 -9.375 1.00 0.00 C ATOM 1391 OG SER A 93 21.876 18.607 -8.121 1.00 0.00 O ATOM 0 H SER A 93 19.443 18.435 -8.218 1.00 0.00 H new ATOM 0 HA SER A 93 20.204 16.609 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.487 17.578 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.247 18.785 -10.072 1.00 0.00 H new ATOM 0 HG SER A 93 21.932 17.908 -7.436 1.00 0.00 H new ATOM 1397 N GLY A 94 20.675 14.544 -8.898 1.00 0.00 N ATOM 1398 CA GLY A 94 21.142 13.338 -8.241 1.00 0.00 C ATOM 1399 C GLY A 94 20.423 12.097 -8.730 1.00 0.00 C ATOM 1400 O GLY A 94 19.793 12.145 -9.786 1.00 0.00 O ATOM 0 H GLY A 94 20.050 14.387 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.212 13.226 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 94 21.000 13.436 -7.165 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.879 -11.888 3.212 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 2.011 -10.257 -7.483 1.00 0.00 ZN