USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ 153:sc= 2.42 (180deg=1.09) USER MOD Set 1.2: A 62 TYR OH : rot 18:sc= 0.0244! USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0671 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 2.05 (180deg=1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 69:sc= 0.0782 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.697 (180deg=0.655) USER MOD Single : A 36 SER OG : rot -167:sc= 0.0909 USER MOD Single : A 37 SER OG : rot 164:sc= 1.34 USER MOD Single : A 39 GLN : amide:sc= 0.175 K(o=0.17,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= -0.672 X(o=-0.67,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00814 USER MOD Single : A 49 SER OG : rot 53:sc= -2.85! USER MOD Single : A 50 TYR OH : rot 23:sc= -0.951! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -172:sc= -0.953 (180deg=-1.54) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.595 K(o=0.59,f=-9!) USER MOD Single : A 69 SER OG : rot 151:sc= 0.898 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 77 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.68) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.149 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 75:sc= 1.05 USER MOD Single : A 110 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0085) USER MOD Single : A 111 THR OG1 : rot -69:sc= 1.17 USER MOD Single : A 112 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.47) USER MOD Single : A 117 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.522 5.299 -0.930 1.00 0.00 N ATOM 2 CA GLY A 1 -24.491 3.891 -0.464 1.00 0.00 C ATOM 3 C GLY A 1 -23.741 2.994 -1.425 1.00 0.00 C ATOM 4 O GLY A 1 -22.926 3.477 -2.213 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.338 5.934 -0.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.793 5.440 -1.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.458 5.511 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.021 3.844 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.511 3.525 -0.347 1.00 0.00 H new ATOM 10 N SER A 2 -24.044 1.696 -1.374 1.00 0.00 N ATOM 11 CA SER A 2 -23.423 0.703 -2.247 1.00 0.00 C ATOM 12 C SER A 2 -21.896 0.788 -2.187 1.00 0.00 C ATOM 13 O SER A 2 -21.298 0.441 -1.165 1.00 0.00 O ATOM 14 CB SER A 2 -23.928 0.872 -3.682 1.00 0.00 C ATOM 15 OG SER A 2 -25.326 1.116 -3.703 1.00 0.00 O ATOM 0 H SER A 2 -24.727 1.305 -0.725 1.00 0.00 H new ATOM 0 HA SER A 2 -23.707 -0.288 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.404 1.699 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.703 -0.025 -4.259 1.00 0.00 H new ATOM 0 HG SER A 2 -25.626 1.222 -4.630 1.00 0.00 H new ATOM 21 N LEU A 3 -21.294 1.330 -3.251 1.00 0.00 N ATOM 22 CA LEU A 3 -19.851 1.547 -3.332 1.00 0.00 C ATOM 23 C LEU A 3 -19.082 0.231 -3.430 1.00 0.00 C ATOM 24 O LEU A 3 -19.338 -0.719 -2.686 1.00 0.00 O ATOM 25 CB LEU A 3 -19.347 2.364 -2.134 1.00 0.00 C ATOM 26 CG LEU A 3 -18.391 3.504 -2.479 1.00 0.00 C ATOM 27 CD1 LEU A 3 -18.847 4.798 -1.827 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.975 3.163 -2.044 1.00 0.00 C ATOM 0 H LEU A 3 -21.800 1.631 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 3 -19.667 2.113 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -20.208 2.779 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.846 1.689 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 3 -18.397 3.641 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.154 5.599 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.845 5.053 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.870 4.672 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.308 3.987 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.955 2.999 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.645 2.258 -2.555 1.00 0.00 H new ATOM 40 N SER A 4 -18.077 0.215 -4.292 1.00 0.00 N ATOM 41 CA SER A 4 -17.175 -0.917 -4.380 1.00 0.00 C ATOM 42 C SER A 4 -16.328 -0.976 -3.117 1.00 0.00 C ATOM 43 O SER A 4 -15.738 0.029 -2.715 1.00 0.00 O ATOM 44 CB SER A 4 -16.283 -0.792 -5.618 1.00 0.00 C ATOM 45 OG SER A 4 -16.990 -0.201 -6.699 1.00 0.00 O ATOM 0 H SER A 4 -17.868 0.975 -4.940 1.00 0.00 H new ATOM 0 HA SER A 4 -17.753 -1.837 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.407 -0.189 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.922 -1.778 -5.911 1.00 0.00 H new ATOM 0 HG SER A 4 -16.398 -0.130 -7.477 1.00 0.00 H new ATOM 51 N TRP A 5 -16.419 -2.091 -2.405 1.00 0.00 N ATOM 52 CA TRP A 5 -15.781 -2.206 -1.105 1.00 0.00 C ATOM 53 C TRP A 5 -14.270 -2.023 -1.216 1.00 0.00 C ATOM 54 O TRP A 5 -13.612 -2.614 -2.081 1.00 0.00 O ATOM 55 CB TRP A 5 -16.147 -3.541 -0.431 1.00 0.00 C ATOM 56 CG TRP A 5 -15.249 -4.697 -0.771 1.00 0.00 C ATOM 57 CD1 TRP A 5 -15.113 -5.307 -1.983 1.00 0.00 C ATOM 58 CD2 TRP A 5 -14.373 -5.386 0.126 1.00 0.00 C ATOM 59 NE1 TRP A 5 -14.209 -6.336 -1.893 1.00 0.00 N ATOM 60 CE2 TRP A 5 -13.739 -6.405 -0.610 1.00 0.00 C ATOM 61 CE3 TRP A 5 -14.059 -5.241 1.480 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -12.815 -7.272 -0.037 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -13.141 -6.103 2.047 1.00 0.00 C ATOM 64 CH2 TRP A 5 -12.529 -7.108 1.289 1.00 0.00 C ATOM 0 H TRP A 5 -16.926 -2.924 -2.705 1.00 0.00 H new ATOM 0 HA TRP A 5 -16.157 -1.404 -0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -16.136 -3.399 0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -17.169 -3.801 -0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -15.639 -5.022 -2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -13.932 -6.950 -2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -14.526 -4.468 2.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -12.340 -8.048 -0.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -12.891 -6.000 3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -11.816 -7.767 1.762 1.00 0.00 H new ATOM 75 N LYS A 6 -13.749 -1.121 -0.406 1.00 0.00 N ATOM 76 CA LYS A 6 -12.335 -0.809 -0.412 1.00 0.00 C ATOM 77 C LYS A 6 -11.602 -1.759 0.521 1.00 0.00 C ATOM 78 O LYS A 6 -11.917 -1.831 1.708 1.00 0.00 O ATOM 79 CB LYS A 6 -12.112 0.641 0.024 1.00 0.00 C ATOM 80 CG LYS A 6 -11.680 1.561 -1.105 1.00 0.00 C ATOM 81 CD LYS A 6 -12.732 2.619 -1.407 1.00 0.00 C ATOM 82 CE LYS A 6 -12.177 4.022 -1.221 1.00 0.00 C ATOM 83 NZ LYS A 6 -12.914 5.031 -2.027 1.00 0.00 N ATOM 0 H LYS A 6 -14.293 -0.587 0.272 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.945 -0.929 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.034 1.025 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.355 0.663 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.742 2.047 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.490 0.971 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.087 2.499 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.592 2.476 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.229 4.294 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.124 4.034 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.305 5.859 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.182 4.616 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.771 5.325 -1.516 1.00 0.00 H new ATOM 97 N ARG A 7 -10.720 -2.570 -0.034 1.00 0.00 N ATOM 98 CA ARG A 7 -10.028 -3.580 0.746 1.00 0.00 C ATOM 99 C ARG A 7 -8.599 -3.141 1.055 1.00 0.00 C ATOM 100 O ARG A 7 -7.942 -2.508 0.228 1.00 0.00 O ATOM 101 CB ARG A 7 -10.059 -4.927 0.004 1.00 0.00 C ATOM 102 CG ARG A 7 -8.717 -5.384 -0.549 1.00 0.00 C ATOM 103 CD ARG A 7 -8.060 -6.431 0.340 1.00 0.00 C ATOM 104 NE ARG A 7 -8.907 -6.826 1.472 1.00 0.00 N ATOM 105 CZ ARG A 7 -8.970 -8.070 1.944 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.209 -9.021 1.419 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.795 -8.369 2.942 1.00 0.00 N ATOM 0 H ARG A 7 -10.466 -2.549 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.541 -3.706 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.435 -5.691 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.770 -4.856 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.858 -5.794 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.054 -4.525 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.824 -7.312 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.115 -6.040 0.718 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.478 -6.110 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.574 -8.801 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.259 -9.973 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.385 -7.644 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.839 -9.323 3.299 1.00 0.00 H new ATOM 121 N CYS A 8 -8.162 -3.422 2.277 1.00 0.00 N ATOM 122 CA CYS A 8 -6.841 -3.034 2.747 1.00 0.00 C ATOM 123 C CYS A 8 -5.812 -4.123 2.440 1.00 0.00 C ATOM 124 O CYS A 8 -6.120 -5.314 2.490 1.00 0.00 O ATOM 125 CB CYS A 8 -6.908 -2.745 4.254 1.00 0.00 C ATOM 126 SG CYS A 8 -5.506 -3.360 5.241 1.00 0.00 S ATOM 0 H CYS A 8 -8.716 -3.926 2.970 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.523 -2.132 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.982 -1.667 4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.825 -3.182 4.648 1.00 0.00 H new ATOM 131 N ALA A 9 -4.612 -3.706 2.055 1.00 0.00 N ATOM 132 CA ALA A 9 -3.559 -4.641 1.685 1.00 0.00 C ATOM 133 C ALA A 9 -2.538 -4.811 2.808 1.00 0.00 C ATOM 134 O ALA A 9 -1.514 -5.470 2.631 1.00 0.00 O ATOM 135 CB ALA A 9 -2.868 -4.181 0.408 1.00 0.00 C ATOM 0 H ALA A 9 -4.344 -2.724 1.991 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.024 -5.611 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.083 -4.890 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.597 -4.128 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.429 -3.196 0.566 1.00 0.00 H new ATOM 141 N GLY A 10 -2.831 -4.240 3.968 1.00 0.00 N ATOM 142 CA GLY A 10 -1.933 -4.372 5.099 1.00 0.00 C ATOM 143 C GLY A 10 -2.506 -5.272 6.172 1.00 0.00 C ATOM 144 O GLY A 10 -2.120 -6.434 6.282 1.00 0.00 O ATOM 0 H GLY A 10 -3.671 -3.690 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.978 -4.774 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.732 -3.387 5.520 1.00 0.00 H new ATOM 148 N CYS A 11 -3.552 -4.797 6.831 1.00 0.00 N ATOM 149 CA CYS A 11 -4.310 -5.629 7.745 1.00 0.00 C ATOM 150 C CYS A 11 -5.417 -6.423 7.052 1.00 0.00 C ATOM 151 O CYS A 11 -5.954 -7.372 7.626 1.00 0.00 O ATOM 152 CB CYS A 11 -4.832 -4.848 8.964 1.00 0.00 C ATOM 153 SG CYS A 11 -4.653 -3.017 8.971 1.00 0.00 S ATOM 0 H CYS A 11 -3.893 -3.839 6.748 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.602 -6.365 8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.891 -5.079 9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.325 -5.235 9.848 1.00 0.00 H new ATOM 158 N GLY A 12 -5.640 -6.135 5.784 1.00 0.00 N ATOM 159 CA GLY A 12 -6.555 -6.921 4.984 1.00 0.00 C ATOM 160 C GLY A 12 -7.976 -6.880 5.492 1.00 0.00 C ATOM 161 O GLY A 12 -8.571 -7.922 5.765 1.00 0.00 O ATOM 0 H GLY A 12 -5.199 -5.361 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.533 -6.558 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.213 -7.956 4.964 1.00 0.00 H new ATOM 165 N GLY A 13 -8.549 -5.691 5.559 1.00 0.00 N ATOM 166 CA GLY A 13 -9.915 -5.566 5.957 1.00 0.00 C ATOM 167 C GLY A 13 -10.678 -4.668 5.020 1.00 0.00 C ATOM 168 O GLY A 13 -10.248 -4.415 3.892 1.00 0.00 O ATOM 0 H GLY A 13 -8.082 -4.811 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.381 -6.551 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.966 -5.166 6.970 1.00 0.00 H new ATOM 172 N LYS A 14 -11.793 -4.183 5.502 1.00 0.00 N ATOM 173 CA LYS A 14 -12.651 -3.290 4.741 1.00 0.00 C ATOM 174 C LYS A 14 -12.450 -1.851 5.191 1.00 0.00 C ATOM 175 O LYS A 14 -12.720 -1.504 6.341 1.00 0.00 O ATOM 176 CB LYS A 14 -14.121 -3.691 4.907 1.00 0.00 C ATOM 177 CG LYS A 14 -15.086 -2.806 4.133 1.00 0.00 C ATOM 178 CD LYS A 14 -16.343 -3.563 3.738 1.00 0.00 C ATOM 179 CE LYS A 14 -17.332 -2.664 3.011 1.00 0.00 C ATOM 180 NZ LYS A 14 -18.737 -2.949 3.406 1.00 0.00 N ATOM 0 H LYS A 14 -12.140 -4.393 6.438 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.382 -3.370 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.246 -4.723 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.380 -3.658 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.356 -1.942 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.594 -2.425 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.076 -4.404 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.814 -3.978 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.099 -1.621 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.223 -2.800 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.379 -2.315 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.968 -3.937 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.848 -2.794 4.428 1.00 0.00 H new ATOM 194 N ILE A 15 -12.005 -1.012 4.275 1.00 0.00 N ATOM 195 CA ILE A 15 -11.809 0.397 4.561 1.00 0.00 C ATOM 196 C ILE A 15 -13.003 1.208 4.081 1.00 0.00 C ATOM 197 O ILE A 15 -13.015 1.716 2.961 1.00 0.00 O ATOM 198 CB ILE A 15 -10.536 0.947 3.892 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.615 -0.199 3.463 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.815 1.903 4.833 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.593 0.212 2.434 1.00 0.00 C ATOM 0 H ILE A 15 -11.771 -1.284 3.320 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.703 0.489 5.642 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.823 1.500 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.100 -0.590 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.220 -1.011 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.917 2.284 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.474 2.735 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.537 1.375 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.973 -0.646 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.102 0.576 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.964 1.003 2.842 1.00 0.00 H new ATOM 212 N ALA A 16 -13.965 1.400 4.965 1.00 0.00 N ATOM 213 CA ALA A 16 -15.122 2.230 4.662 1.00 0.00 C ATOM 214 C ALA A 16 -14.890 3.638 5.186 1.00 0.00 C ATOM 215 O ALA A 16 -15.825 4.350 5.557 1.00 0.00 O ATOM 216 CB ALA A 16 -16.380 1.627 5.266 1.00 0.00 C ATOM 0 H ALA A 16 -13.970 0.993 5.900 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.258 2.276 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.236 2.259 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.540 0.631 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.267 1.558 6.348 1.00 0.00 H new ATOM 222 N ASP A 17 -13.621 4.002 5.261 1.00 0.00 N ATOM 223 CA ASP A 17 -13.215 5.290 5.790 1.00 0.00 C ATOM 224 C ASP A 17 -12.908 6.257 4.658 1.00 0.00 C ATOM 225 O ASP A 17 -12.480 5.847 3.577 1.00 0.00 O ATOM 226 CB ASP A 17 -11.977 5.131 6.681 1.00 0.00 C ATOM 227 CG ASP A 17 -12.333 4.931 8.140 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.651 3.786 8.530 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.291 5.917 8.911 1.00 0.00 O ATOM 0 H ASP A 17 -12.846 3.413 4.957 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.036 5.690 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.390 4.280 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.346 6.015 6.582 1.00 0.00 H new ATOM 234 N ARG A 18 -13.086 7.539 4.929 1.00 0.00 N ATOM 235 CA ARG A 18 -12.757 8.580 3.965 1.00 0.00 C ATOM 236 C ARG A 18 -11.255 8.817 3.974 1.00 0.00 C ATOM 237 O ARG A 18 -10.641 9.106 2.949 1.00 0.00 O ATOM 238 CB ARG A 18 -13.488 9.877 4.324 1.00 0.00 C ATOM 239 CG ARG A 18 -13.232 11.012 3.349 1.00 0.00 C ATOM 240 CD ARG A 18 -14.526 11.713 2.969 1.00 0.00 C ATOM 241 NE ARG A 18 -14.971 11.331 1.631 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.680 10.237 1.356 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.115 9.448 2.334 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.969 9.946 0.100 1.00 0.00 N ATOM 0 H ARG A 18 -13.458 7.887 5.813 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.071 8.263 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.559 9.680 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.183 10.191 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.544 11.730 3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.749 10.623 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.301 11.467 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.382 12.793 3.011 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.722 11.944 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.907 9.678 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.657 8.613 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.650 10.557 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.511 9.110 -0.118 1.00 0.00 H new ATOM 258 N PHE A 19 -10.679 8.663 5.154 1.00 0.00 N ATOM 259 CA PHE A 19 -9.251 8.833 5.354 1.00 0.00 C ATOM 260 C PHE A 19 -8.532 7.509 5.097 1.00 0.00 C ATOM 261 O PHE A 19 -8.510 6.643 5.973 1.00 0.00 O ATOM 262 CB PHE A 19 -8.987 9.296 6.796 1.00 0.00 C ATOM 263 CG PHE A 19 -10.138 10.030 7.447 1.00 0.00 C ATOM 264 CD1 PHE A 19 -10.536 11.271 6.989 1.00 0.00 C ATOM 265 CD2 PHE A 19 -10.815 9.476 8.522 1.00 0.00 C ATOM 266 CE1 PHE A 19 -11.582 11.950 7.574 1.00 0.00 C ATOM 267 CE2 PHE A 19 -11.867 10.150 9.116 1.00 0.00 C ATOM 268 CZ PHE A 19 -12.252 11.389 8.641 1.00 0.00 C ATOM 0 H PHE A 19 -11.190 8.416 6.002 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.875 9.584 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.740 8.425 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.112 9.945 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.016 11.718 6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.518 8.509 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.877 12.919 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.388 9.707 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.074 11.916 9.103 1.00 0.00 H new ATOM 278 N LEU A 20 -7.983 7.320 3.892 1.00 0.00 N ATOM 279 CA LEU A 20 -7.321 6.056 3.572 1.00 0.00 C ATOM 280 C LEU A 20 -6.356 6.217 2.405 1.00 0.00 C ATOM 281 O LEU A 20 -6.442 7.182 1.653 1.00 0.00 O ATOM 282 CB LEU A 20 -8.355 4.924 3.325 1.00 0.00 C ATOM 283 CG LEU A 20 -9.137 4.899 1.988 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.445 6.293 1.463 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.392 4.082 0.943 1.00 0.00 C ATOM 0 H LEU A 20 -7.984 8.009 3.140 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.727 5.761 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.830 3.973 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.086 4.964 4.133 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.095 4.421 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.994 6.215 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.049 6.832 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.513 6.833 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.959 4.078 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.411 4.523 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.272 3.059 1.299 1.00 0.00 H new ATOM 297 N LEU A 21 -5.407 5.305 2.293 1.00 0.00 N ATOM 298 CA LEU A 21 -4.396 5.399 1.257 1.00 0.00 C ATOM 299 C LEU A 21 -4.594 4.333 0.188 1.00 0.00 C ATOM 300 O LEU A 21 -5.197 3.294 0.432 1.00 0.00 O ATOM 301 CB LEU A 21 -3.003 5.272 1.869 1.00 0.00 C ATOM 302 CG LEU A 21 -1.937 6.155 1.221 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.122 6.879 2.281 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.037 5.319 0.324 1.00 0.00 C ATOM 0 H LEU A 21 -5.316 4.494 2.905 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.494 6.375 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.063 5.518 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.684 4.232 1.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.434 6.907 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.369 7.502 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.781 7.506 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.631 6.149 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.282 5.959 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.548 4.547 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.636 4.851 -0.457 1.00 0.00 H new ATOM 316 N TYR A 22 -4.076 4.607 -0.997 1.00 0.00 N ATOM 317 CA TYR A 22 -4.149 3.678 -2.112 1.00 0.00 C ATOM 318 C TYR A 22 -2.772 3.548 -2.748 1.00 0.00 C ATOM 319 O TYR A 22 -2.120 4.554 -3.034 1.00 0.00 O ATOM 320 CB TYR A 22 -5.156 4.134 -3.186 1.00 0.00 C ATOM 321 CG TYR A 22 -6.309 5.006 -2.707 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.096 6.249 -2.114 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.621 4.593 -2.893 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.150 7.044 -1.712 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.684 5.390 -2.508 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.441 6.613 -1.915 1.00 0.00 C ATOM 327 OH TYR A 22 -9.495 7.415 -1.547 1.00 0.00 O ATOM 0 H TYR A 22 -3.593 5.479 -1.213 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.489 2.719 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.611 4.681 -3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.574 3.246 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.085 6.598 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.815 3.632 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.963 7.998 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.699 5.057 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.339 6.964 -1.759 1.00 0.00 H new ATOM 337 N ALA A 23 -2.332 2.323 -2.976 1.00 0.00 N ATOM 338 CA ALA A 23 -1.045 2.083 -3.609 1.00 0.00 C ATOM 339 C ALA A 23 -1.036 0.747 -4.341 1.00 0.00 C ATOM 340 O ALA A 23 -1.499 -0.258 -3.803 1.00 0.00 O ATOM 341 CB ALA A 23 0.078 2.135 -2.581 1.00 0.00 C ATOM 0 H ALA A 23 -2.847 1.477 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.880 2.872 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.032 1.953 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.095 3.118 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.089 1.371 -1.821 1.00 0.00 H new ATOM 347 N MET A 24 -0.520 0.754 -5.572 1.00 0.00 N ATOM 348 CA MET A 24 -0.423 -0.452 -6.406 1.00 0.00 C ATOM 349 C MET A 24 -1.807 -0.995 -6.748 1.00 0.00 C ATOM 350 O MET A 24 -2.028 -2.210 -6.737 1.00 0.00 O ATOM 351 CB MET A 24 0.403 -1.540 -5.706 1.00 0.00 C ATOM 352 CG MET A 24 1.896 -1.262 -5.688 1.00 0.00 C ATOM 353 SD MET A 24 2.595 -1.107 -7.341 1.00 0.00 S ATOM 354 CE MET A 24 2.999 -2.815 -7.695 1.00 0.00 C ATOM 0 H MET A 24 -0.157 1.595 -6.021 1.00 0.00 H new ATOM 0 HA MET A 24 0.080 -0.170 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.051 -1.646 -4.680 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.227 -2.493 -6.204 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.084 -0.344 -5.131 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.405 -2.067 -5.157 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.443 -2.886 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.708 -3.182 -6.953 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.092 -3.418 -7.659 1.00 0.00 H new ATOM 364 N ASP A 25 -2.755 -0.079 -6.944 1.00 0.00 N ATOM 365 CA ASP A 25 -4.156 -0.429 -7.196 1.00 0.00 C ATOM 366 C ASP A 25 -4.728 -1.247 -6.046 1.00 0.00 C ATOM 367 O ASP A 25 -5.736 -1.942 -6.191 1.00 0.00 O ATOM 368 CB ASP A 25 -4.320 -1.176 -8.522 1.00 0.00 C ATOM 369 CG ASP A 25 -4.838 -0.275 -9.626 1.00 0.00 C ATOM 370 OD1 ASP A 25 -4.016 0.362 -10.317 1.00 0.00 O ATOM 371 OD2 ASP A 25 -6.075 -0.195 -9.806 1.00 0.00 O ATOM 0 H ASP A 25 -2.576 0.925 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.717 0.503 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.361 -1.599 -8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.007 -2.011 -8.384 1.00 0.00 H new ATOM 376 N SER A 26 -4.115 -1.093 -4.884 1.00 0.00 N ATOM 377 CA SER A 26 -4.598 -1.708 -3.666 1.00 0.00 C ATOM 378 C SER A 26 -4.784 -0.632 -2.619 1.00 0.00 C ATOM 379 O SER A 26 -4.087 0.379 -2.631 1.00 0.00 O ATOM 380 CB SER A 26 -3.617 -2.771 -3.167 1.00 0.00 C ATOM 381 OG SER A 26 -2.856 -3.305 -4.237 1.00 0.00 O ATOM 0 H SER A 26 -3.268 -0.537 -4.762 1.00 0.00 H new ATOM 0 HA SER A 26 -5.550 -2.201 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.949 -2.334 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.165 -3.572 -2.671 1.00 0.00 H new ATOM 0 HG SER A 26 -2.241 -2.621 -4.574 1.00 0.00 H new ATOM 387 N TYR A 27 -5.786 -0.790 -1.790 1.00 0.00 N ATOM 388 CA TYR A 27 -6.113 0.227 -0.819 1.00 0.00 C ATOM 389 C TYR A 27 -5.596 -0.166 0.557 1.00 0.00 C ATOM 390 O TYR A 27 -5.205 -1.313 0.780 1.00 0.00 O ATOM 391 CB TYR A 27 -7.620 0.470 -0.815 1.00 0.00 C ATOM 392 CG TYR A 27 -8.219 0.512 -2.206 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.665 1.315 -3.199 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.332 -0.251 -2.528 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.207 1.356 -4.469 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.880 -0.218 -3.797 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.314 0.588 -4.763 1.00 0.00 C ATOM 398 OH TYR A 27 -9.856 0.627 -6.029 1.00 0.00 O ATOM 0 H TYR A 27 -6.389 -1.612 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.623 1.162 -1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.107 -0.317 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.829 1.412 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.797 1.916 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.778 -0.882 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.766 1.986 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.746 -0.820 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.630 0.028 -6.072 1.00 0.00 H new ATOM 408 N TRP A 28 -5.452 0.827 1.414 1.00 0.00 N ATOM 409 CA TRP A 28 -4.856 0.652 2.727 1.00 0.00 C ATOM 410 C TRP A 28 -5.617 1.502 3.741 1.00 0.00 C ATOM 411 O TRP A 28 -6.273 2.474 3.366 1.00 0.00 O ATOM 412 CB TRP A 28 -3.374 1.085 2.722 1.00 0.00 C ATOM 413 CG TRP A 28 -2.538 0.522 1.598 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.559 0.898 0.283 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.528 -0.492 1.703 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.647 0.161 -0.435 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.999 -0.692 0.414 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.024 -1.254 2.761 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.007 -1.621 0.158 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.024 -2.172 2.507 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.482 -2.348 1.214 1.00 0.00 C ATOM 0 H TRP A 28 -5.747 1.784 1.219 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.912 -0.403 2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.331 2.173 2.674 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.924 0.790 3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.199 1.663 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.481 0.238 -1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.411 -1.127 3.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.398 -1.762 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.374 -2.763 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.264 -3.074 1.047 1.00 0.00 H new ATOM 432 N HIS A 29 -5.385 1.245 5.016 1.00 0.00 N ATOM 433 CA HIS A 29 -5.892 2.107 6.074 1.00 0.00 C ATOM 434 C HIS A 29 -4.880 3.230 6.304 1.00 0.00 C ATOM 435 O HIS A 29 -4.398 3.851 5.356 1.00 0.00 O ATOM 436 CB HIS A 29 -6.089 1.323 7.386 1.00 0.00 C ATOM 437 CG HIS A 29 -7.233 0.355 7.401 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.040 -1.001 7.287 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.556 0.591 7.579 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.230 -1.560 7.398 1.00 0.00 C ATOM 441 NE2 HIS A 29 -9.188 -0.631 7.579 1.00 0.00 N ATOM 0 H HIS A 29 -4.847 0.444 5.347 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.859 2.509 5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.171 0.776 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.232 2.038 8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.025 1.556 7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.412 -2.623 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.187 -0.800 7.694 1.00 0.00 H new ATOM 449 N SER A 30 -4.463 3.391 7.548 1.00 0.00 N ATOM 450 CA SER A 30 -3.409 4.327 7.886 1.00 0.00 C ATOM 451 C SER A 30 -2.126 3.587 8.279 1.00 0.00 C ATOM 452 O SER A 30 -1.020 4.053 8.007 1.00 0.00 O ATOM 453 CB SER A 30 -3.870 5.225 9.035 1.00 0.00 C ATOM 454 OG SER A 30 -4.588 6.352 8.558 1.00 0.00 O ATOM 0 H SER A 30 -4.843 2.880 8.345 1.00 0.00 H new ATOM 0 HA SER A 30 -3.193 4.939 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.500 4.652 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.004 5.559 9.607 1.00 0.00 H new ATOM 0 HG SER A 30 -4.870 6.905 9.316 1.00 0.00 H new ATOM 460 N ARG A 31 -2.285 2.508 9.043 1.00 0.00 N ATOM 461 CA ARG A 31 -1.145 1.828 9.660 1.00 0.00 C ATOM 462 C ARG A 31 -0.701 0.580 8.893 1.00 0.00 C ATOM 463 O ARG A 31 0.192 -0.134 9.345 1.00 0.00 O ATOM 464 CB ARG A 31 -1.502 1.437 11.099 1.00 0.00 C ATOM 465 CG ARG A 31 -0.350 1.575 12.084 1.00 0.00 C ATOM 466 CD ARG A 31 0.191 0.217 12.504 1.00 0.00 C ATOM 467 NE ARG A 31 0.055 -0.009 13.943 1.00 0.00 N ATOM 468 CZ ARG A 31 -0.918 -0.740 14.494 1.00 0.00 C ATOM 469 NH1 ARG A 31 -1.834 -1.313 13.720 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.966 -0.900 15.812 1.00 0.00 N ATOM 0 H ARG A 31 -3.190 2.085 9.250 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.310 2.529 9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.332 2.057 11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.852 0.405 11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.449 2.162 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.687 2.122 12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.339 -0.567 11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.242 0.143 12.224 1.00 0.00 H new ATOM 0 HE ARG A 31 0.744 0.417 14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.793 -1.194 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.578 -1.872 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.259 -0.464 16.405 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.710 -1.458 16.231 1.00 0.00 H new ATOM 484 N CYS A 32 -1.350 0.273 7.781 1.00 0.00 N ATOM 485 CA CYS A 32 -1.019 -0.934 7.036 1.00 0.00 C ATOM 486 C CYS A 32 0.235 -0.740 6.194 1.00 0.00 C ATOM 487 O CYS A 32 1.132 -1.584 6.198 1.00 0.00 O ATOM 488 CB CYS A 32 -2.188 -1.319 6.148 1.00 0.00 C ATOM 489 SG CYS A 32 -3.702 -0.403 6.524 1.00 0.00 S ATOM 0 H CYS A 32 -2.100 0.834 7.377 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.821 -1.734 7.749 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.916 -1.147 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.381 -2.386 6.255 1.00 0.00 H new ATOM 494 N LEU A 33 0.302 0.377 5.488 1.00 0.00 N ATOM 495 CA LEU A 33 1.470 0.680 4.681 1.00 0.00 C ATOM 496 C LEU A 33 2.450 1.526 5.478 1.00 0.00 C ATOM 497 O LEU A 33 2.090 2.560 6.049 1.00 0.00 O ATOM 498 CB LEU A 33 1.068 1.365 3.366 1.00 0.00 C ATOM 499 CG LEU A 33 1.320 2.868 3.282 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.216 3.195 2.098 1.00 0.00 C ATOM 501 CD2 LEU A 33 0.003 3.608 3.170 1.00 0.00 C ATOM 0 H LEU A 33 -0.433 1.083 5.458 1.00 0.00 H new ATOM 0 HA LEU A 33 1.966 -0.254 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.606 0.882 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.006 1.186 3.198 1.00 0.00 H new ATOM 0 HG LEU A 33 1.828 3.189 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.384 4.271 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.171 2.683 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.736 2.866 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.192 4.680 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.522 3.282 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.609 3.396 4.046 1.00 0.00 H new ATOM 513 N LYS A 34 3.652 1.002 5.618 1.00 0.00 N ATOM 514 CA LYS A 34 4.681 1.618 6.432 1.00 0.00 C ATOM 515 C LYS A 34 6.011 0.984 6.095 1.00 0.00 C ATOM 516 O LYS A 34 6.049 -0.065 5.450 1.00 0.00 O ATOM 517 CB LYS A 34 4.359 1.438 7.926 1.00 0.00 C ATOM 518 CG LYS A 34 4.758 0.081 8.499 1.00 0.00 C ATOM 519 CD LYS A 34 3.630 -0.932 8.397 1.00 0.00 C ATOM 520 CE LYS A 34 4.034 -2.129 7.554 1.00 0.00 C ATOM 521 NZ LYS A 34 3.033 -3.227 7.626 1.00 0.00 N ATOM 0 H LYS A 34 3.943 0.134 5.169 1.00 0.00 H new ATOM 0 HA LYS A 34 4.725 2.687 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.866 2.220 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.289 1.580 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.632 -0.295 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.047 0.199 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.348 -1.267 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.751 -0.457 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.155 -1.817 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.002 -2.499 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.416 -4.077 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.822 -3.440 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.160 -2.933 7.142 1.00 0.00 H new ATOM 535 N CYS A 35 7.090 1.609 6.525 1.00 0.00 N ATOM 536 CA CYS A 35 8.408 1.075 6.279 1.00 0.00 C ATOM 537 C CYS A 35 8.554 -0.283 6.949 1.00 0.00 C ATOM 538 O CYS A 35 8.074 -0.491 8.065 1.00 0.00 O ATOM 539 CB CYS A 35 9.476 2.025 6.804 1.00 0.00 C ATOM 540 SG CYS A 35 11.180 1.498 6.421 1.00 0.00 S ATOM 0 H CYS A 35 7.076 2.486 7.046 1.00 0.00 H new ATOM 0 HA CYS A 35 8.539 0.961 5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.308 3.016 6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.368 2.117 7.885 1.00 0.00 H new ATOM 545 N SER A 36 9.257 -1.181 6.288 1.00 0.00 N ATOM 546 CA SER A 36 9.498 -2.501 6.835 1.00 0.00 C ATOM 547 C SER A 36 10.414 -2.423 8.054 1.00 0.00 C ATOM 548 O SER A 36 10.367 -3.288 8.927 1.00 0.00 O ATOM 549 CB SER A 36 10.107 -3.404 5.764 1.00 0.00 C ATOM 550 OG SER A 36 9.853 -2.884 4.466 1.00 0.00 O ATOM 0 H SER A 36 9.672 -1.020 5.370 1.00 0.00 H new ATOM 0 HA SER A 36 8.546 -2.925 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.182 -3.491 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.690 -4.408 5.847 1.00 0.00 H new ATOM 0 HG SER A 36 10.069 -3.563 3.793 1.00 0.00 H new ATOM 556 N SER A 37 11.216 -1.364 8.128 1.00 0.00 N ATOM 557 CA SER A 37 12.134 -1.186 9.243 1.00 0.00 C ATOM 558 C SER A 37 11.682 -0.071 10.189 1.00 0.00 C ATOM 559 O SER A 37 11.692 -0.248 11.408 1.00 0.00 O ATOM 560 CB SER A 37 13.541 -0.897 8.729 1.00 0.00 C ATOM 561 OG SER A 37 13.732 -1.434 7.427 1.00 0.00 O ATOM 0 H SER A 37 11.247 -0.620 7.431 1.00 0.00 H new ATOM 0 HA SER A 37 12.139 -2.117 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.710 0.180 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.276 -1.323 9.412 1.00 0.00 H new ATOM 0 HG SER A 37 14.526 -1.029 7.019 1.00 0.00 H new ATOM 567 N CYS A 38 11.291 1.078 9.638 1.00 0.00 N ATOM 568 CA CYS A 38 10.856 2.198 10.469 1.00 0.00 C ATOM 569 C CYS A 38 9.505 1.902 11.103 1.00 0.00 C ATOM 570 O CYS A 38 9.258 2.264 12.254 1.00 0.00 O ATOM 571 CB CYS A 38 10.760 3.487 9.649 1.00 0.00 C ATOM 572 SG CYS A 38 12.353 4.090 9.008 1.00 0.00 S ATOM 0 H CYS A 38 11.267 1.256 8.634 1.00 0.00 H new ATOM 0 HA CYS A 38 11.601 2.334 11.253 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.084 3.320 8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.313 4.265 10.268 1.00 0.00 H new ATOM 577 N GLN A 39 8.629 1.278 10.318 1.00 0.00 N ATOM 578 CA GLN A 39 7.278 0.946 10.760 1.00 0.00 C ATOM 579 C GLN A 39 6.491 2.213 11.090 1.00 0.00 C ATOM 580 O GLN A 39 5.515 2.177 11.839 1.00 0.00 O ATOM 581 CB GLN A 39 7.319 0.009 11.970 1.00 0.00 C ATOM 582 CG GLN A 39 7.896 -1.363 11.657 1.00 0.00 C ATOM 583 CD GLN A 39 6.907 -2.255 10.937 1.00 0.00 C ATOM 584 OE1 GLN A 39 5.718 -2.266 11.255 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.391 -3.010 9.966 1.00 0.00 N ATOM 0 H GLN A 39 8.835 0.990 9.362 1.00 0.00 H new ATOM 0 HA GLN A 39 6.771 0.430 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.912 0.472 12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.309 -0.111 12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.790 -1.247 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.206 -1.844 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.384 -2.970 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.772 -3.633 9.448 1.00 0.00 H new ATOM 594 N ALA A 40 6.882 3.320 10.475 1.00 0.00 N ATOM 595 CA ALA A 40 6.197 4.571 10.644 1.00 0.00 C ATOM 596 C ALA A 40 5.294 4.826 9.457 1.00 0.00 C ATOM 597 O ALA A 40 5.498 4.273 8.375 1.00 0.00 O ATOM 598 CB ALA A 40 7.193 5.706 10.814 1.00 0.00 C ATOM 0 H ALA A 40 7.684 3.365 9.847 1.00 0.00 H new ATOM 0 HA ALA A 40 5.586 4.520 11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.656 6.646 10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.810 5.520 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.829 5.768 9.931 1.00 0.00 H new ATOM 604 N GLN A 41 4.300 5.647 9.684 1.00 0.00 N ATOM 605 CA GLN A 41 3.318 5.996 8.668 1.00 0.00 C ATOM 606 C GLN A 41 3.988 6.695 7.488 1.00 0.00 C ATOM 607 O GLN A 41 4.382 7.861 7.582 1.00 0.00 O ATOM 608 CB GLN A 41 2.236 6.896 9.271 1.00 0.00 C ATOM 609 CG GLN A 41 0.835 6.556 8.799 1.00 0.00 C ATOM 610 CD GLN A 41 -0.081 7.762 8.739 1.00 0.00 C ATOM 611 OE1 GLN A 41 -0.227 8.496 9.718 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.712 7.964 7.594 1.00 0.00 N ATOM 0 H GLN A 41 4.141 6.100 10.584 1.00 0.00 H new ATOM 0 HA GLN A 41 2.855 5.079 8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.274 6.818 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.455 7.933 9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.892 6.101 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.403 5.812 9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.560 7.330 6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.350 8.754 7.496 1.00 0.00 H new ATOM 621 N LEU A 42 4.162 5.956 6.396 1.00 0.00 N ATOM 622 CA LEU A 42 4.861 6.461 5.217 1.00 0.00 C ATOM 623 C LEU A 42 4.037 7.521 4.482 1.00 0.00 C ATOM 624 O LEU A 42 4.491 8.103 3.498 1.00 0.00 O ATOM 625 CB LEU A 42 5.204 5.305 4.269 1.00 0.00 C ATOM 626 CG LEU A 42 6.585 4.674 4.473 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.042 3.986 3.198 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.608 5.715 4.908 1.00 0.00 C ATOM 0 H LEU A 42 3.826 4.998 6.303 1.00 0.00 H new ATOM 0 HA LEU A 42 5.783 6.934 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.448 4.528 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.137 5.667 3.243 1.00 0.00 H new ATOM 0 HG LEU A 42 6.503 3.931 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.025 3.542 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.330 3.205 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.100 4.716 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.578 5.237 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.689 6.487 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.290 6.167 5.848 1.00 0.00 H new ATOM 640 N GLY A 43 2.840 7.792 4.982 1.00 0.00 N ATOM 641 CA GLY A 43 2.014 8.826 4.400 1.00 0.00 C ATOM 642 C GLY A 43 1.895 10.030 5.311 1.00 0.00 C ATOM 643 O GLY A 43 1.115 10.947 5.047 1.00 0.00 O ATOM 0 H GLY A 43 2.427 7.312 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.437 9.134 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.021 8.426 4.195 1.00 0.00 H new ATOM 647 N ASP A 44 2.652 10.017 6.401 1.00 0.00 N ATOM 648 CA ASP A 44 2.598 11.092 7.385 1.00 0.00 C ATOM 649 C ASP A 44 3.886 11.906 7.383 1.00 0.00 C ATOM 650 O ASP A 44 3.874 13.113 7.138 1.00 0.00 O ATOM 651 CB ASP A 44 2.355 10.519 8.782 1.00 0.00 C ATOM 652 CG ASP A 44 2.238 11.592 9.844 1.00 0.00 C ATOM 653 OD1 ASP A 44 1.620 12.641 9.569 1.00 0.00 O ATOM 654 OD2 ASP A 44 2.743 11.385 10.965 1.00 0.00 O ATOM 0 H ASP A 44 3.312 9.273 6.627 1.00 0.00 H new ATOM 0 HA ASP A 44 1.773 11.751 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.442 9.923 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.172 9.846 9.041 1.00 0.00 H new ATOM 659 N ILE A 45 5.001 11.234 7.638 1.00 0.00 N ATOM 660 CA ILE A 45 6.306 11.887 7.688 1.00 0.00 C ATOM 661 C ILE A 45 6.886 12.061 6.287 1.00 0.00 C ATOM 662 O ILE A 45 8.020 11.668 6.012 1.00 0.00 O ATOM 663 CB ILE A 45 7.297 11.087 8.559 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.104 9.582 8.350 1.00 0.00 C ATOM 665 CG2 ILE A 45 7.117 11.445 10.025 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.399 8.801 8.325 1.00 0.00 C ATOM 0 H ILE A 45 5.029 10.230 7.815 1.00 0.00 H new ATOM 0 HA ILE A 45 6.158 12.870 8.135 1.00 0.00 H new ATOM 0 HB ILE A 45 8.311 11.348 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.470 9.192 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.574 9.419 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.822 10.873 10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.300 12.510 10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.099 11.208 10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.183 7.743 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.027 9.164 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.922 8.932 9.273 1.00 0.00 H new ATOM 677 N GLY A 46 6.068 12.591 5.392 1.00 0.00 N ATOM 678 CA GLY A 46 6.464 12.730 4.007 1.00 0.00 C ATOM 679 C GLY A 46 5.867 11.632 3.162 1.00 0.00 C ATOM 680 O GLY A 46 6.155 10.457 3.378 1.00 0.00 O ATOM 0 H GLY A 46 5.129 12.930 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.143 13.700 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.551 12.702 3.931 1.00 0.00 H new ATOM 684 N THR A 47 4.957 11.993 2.274 1.00 0.00 N ATOM 685 CA THR A 47 4.233 10.997 1.505 1.00 0.00 C ATOM 686 C THR A 47 5.088 10.452 0.366 1.00 0.00 C ATOM 687 O THR A 47 5.276 11.106 -0.665 1.00 0.00 O ATOM 688 CB THR A 47 2.938 11.596 0.936 1.00 0.00 C ATOM 689 OG1 THR A 47 2.800 12.953 1.383 1.00 0.00 O ATOM 690 CG2 THR A 47 1.724 10.792 1.378 1.00 0.00 C ATOM 0 H THR A 47 4.704 12.960 2.069 1.00 0.00 H new ATOM 0 HA THR A 47 3.986 10.175 2.177 1.00 0.00 H new ATOM 0 HB THR A 47 2.995 11.566 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.975 13.335 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.821 11.238 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.819 9.766 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.662 10.796 2.466 1.00 0.00 H new ATOM 698 N SER A 48 5.569 9.230 0.552 1.00 0.00 N ATOM 699 CA SER A 48 6.385 8.551 -0.443 1.00 0.00 C ATOM 700 C SER A 48 6.315 7.047 -0.212 1.00 0.00 C ATOM 701 O SER A 48 5.928 6.603 0.868 1.00 0.00 O ATOM 702 CB SER A 48 7.838 9.036 -0.362 1.00 0.00 C ATOM 703 OG SER A 48 8.048 9.844 0.789 1.00 0.00 O ATOM 0 H SER A 48 5.404 8.683 1.397 1.00 0.00 H new ATOM 0 HA SER A 48 6.004 8.780 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.509 8.178 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.085 9.605 -1.259 1.00 0.00 H new ATOM 0 HG SER A 48 8.982 10.138 0.816 1.00 0.00 H new ATOM 709 N SER A 49 6.619 6.264 -1.234 1.00 0.00 N ATOM 710 CA SER A 49 6.529 4.817 -1.122 1.00 0.00 C ATOM 711 C SER A 49 7.545 4.139 -2.022 1.00 0.00 C ATOM 712 O SER A 49 7.960 4.699 -3.034 1.00 0.00 O ATOM 713 CB SER A 49 5.122 4.357 -1.492 1.00 0.00 C ATOM 714 OG SER A 49 4.455 5.350 -2.256 1.00 0.00 O ATOM 0 H SER A 49 6.928 6.603 -2.145 1.00 0.00 H new ATOM 0 HA SER A 49 6.744 4.538 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.175 3.428 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.553 4.145 -0.587 1.00 0.00 H new ATOM 0 HG SER A 49 5.013 5.604 -3.020 1.00 0.00 H new ATOM 720 N TYR A 50 7.922 2.927 -1.657 1.00 0.00 N ATOM 721 CA TYR A 50 8.862 2.153 -2.440 1.00 0.00 C ATOM 722 C TYR A 50 8.398 0.715 -2.530 1.00 0.00 C ATOM 723 O TYR A 50 8.459 -0.027 -1.551 1.00 0.00 O ATOM 724 CB TYR A 50 10.249 2.221 -1.817 1.00 0.00 C ATOM 725 CG TYR A 50 11.083 3.353 -2.353 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.297 3.490 -3.716 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.657 4.281 -1.499 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.063 4.522 -4.212 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.427 5.314 -1.989 1.00 0.00 C ATOM 730 CZ TYR A 50 12.628 5.431 -3.346 1.00 0.00 C ATOM 731 OH TYR A 50 13.404 6.456 -3.839 1.00 0.00 O ATOM 0 H TYR A 50 7.587 2.456 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 50 8.912 2.571 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.150 2.330 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.768 1.279 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.857 2.778 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.499 4.194 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.220 4.618 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.871 6.028 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 50 13.170 6.622 -4.776 1.00 0.00 H new ATOM 741 N THR A 51 7.878 0.351 -3.687 1.00 0.00 N ATOM 742 CA THR A 51 7.347 -0.980 -3.897 1.00 0.00 C ATOM 743 C THR A 51 8.363 -1.869 -4.596 1.00 0.00 C ATOM 744 O THR A 51 8.551 -1.783 -5.813 1.00 0.00 O ATOM 745 CB THR A 51 6.060 -0.940 -4.734 1.00 0.00 C ATOM 746 OG1 THR A 51 5.482 0.372 -4.678 1.00 0.00 O ATOM 747 CG2 THR A 51 5.060 -1.973 -4.236 1.00 0.00 C ATOM 0 H THR A 51 7.812 0.964 -4.500 1.00 0.00 H new ATOM 0 HA THR A 51 7.122 -1.392 -2.913 1.00 0.00 H new ATOM 0 HB THR A 51 6.312 -1.178 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.663 0.392 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.156 -1.927 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.497 -2.969 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.809 -1.765 -3.196 1.00 0.00 H new ATOM 755 N LYS A 52 8.999 -2.731 -3.825 1.00 0.00 N ATOM 756 CA LYS A 52 9.965 -3.671 -4.363 1.00 0.00 C ATOM 757 C LYS A 52 10.064 -4.880 -3.450 1.00 0.00 C ATOM 758 O LYS A 52 9.988 -4.735 -2.229 1.00 0.00 O ATOM 759 CB LYS A 52 11.334 -3.010 -4.512 1.00 0.00 C ATOM 760 CG LYS A 52 11.827 -2.960 -5.949 1.00 0.00 C ATOM 761 CD LYS A 52 12.700 -1.741 -6.195 1.00 0.00 C ATOM 762 CE LYS A 52 13.142 -1.657 -7.645 1.00 0.00 C ATOM 763 NZ LYS A 52 13.542 -0.276 -8.026 1.00 0.00 N ATOM 0 H LYS A 52 8.863 -2.800 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 52 9.631 -3.992 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.284 -1.995 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.059 -3.553 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.392 -3.865 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.974 -2.941 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.150 -0.838 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.576 -1.783 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.979 -2.335 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.330 -1.991 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.234 -0.316 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.704 0.255 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.969 0.200 -7.206 1.00 0.00 H new ATOM 777 N SER A 53 10.145 -6.069 -4.045 1.00 0.00 N ATOM 778 CA SER A 53 10.205 -7.319 -3.289 1.00 0.00 C ATOM 779 C SER A 53 8.934 -7.537 -2.468 1.00 0.00 C ATOM 780 O SER A 53 8.974 -8.145 -1.398 1.00 0.00 O ATOM 781 CB SER A 53 11.425 -7.316 -2.365 1.00 0.00 C ATOM 782 OG SER A 53 12.613 -7.057 -3.095 1.00 0.00 O ATOM 0 H SER A 53 10.171 -6.193 -5.057 1.00 0.00 H new ATOM 0 HA SER A 53 10.291 -8.137 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.297 -6.560 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.506 -8.279 -1.860 1.00 0.00 H new ATOM 0 HG SER A 53 13.379 -7.058 -2.484 1.00 0.00 H new ATOM 788 N GLY A 54 7.819 -6.990 -2.950 1.00 0.00 N ATOM 789 CA GLY A 54 6.563 -7.092 -2.225 1.00 0.00 C ATOM 790 C GLY A 54 6.604 -6.339 -0.913 1.00 0.00 C ATOM 791 O GLY A 54 5.823 -6.614 -0.001 1.00 0.00 O ATOM 0 H GLY A 54 7.764 -6.478 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.755 -6.701 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.339 -8.141 -2.034 1.00 0.00 H new ATOM 795 N MET A 55 7.564 -5.434 -0.795 1.00 0.00 N ATOM 796 CA MET A 55 7.763 -4.684 0.431 1.00 0.00 C ATOM 797 C MET A 55 7.505 -3.205 0.202 1.00 0.00 C ATOM 798 O MET A 55 7.407 -2.750 -0.940 1.00 0.00 O ATOM 799 CB MET A 55 9.187 -4.883 0.953 1.00 0.00 C ATOM 800 CG MET A 55 9.271 -5.761 2.191 1.00 0.00 C ATOM 801 SD MET A 55 10.966 -5.980 2.780 1.00 0.00 S ATOM 802 CE MET A 55 11.883 -6.028 1.238 1.00 0.00 C ATOM 0 H MET A 55 8.220 -5.202 -1.540 1.00 0.00 H new ATOM 0 HA MET A 55 7.056 -5.055 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.795 -5.326 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.620 -3.909 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.669 -5.320 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.839 -6.737 1.969 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.919 -6.300 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.437 -6.767 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.851 -5.047 0.765 1.00 0.00 H new ATOM 812 N ILE A 56 7.464 -2.462 1.293 1.00 0.00 N ATOM 813 CA ILE A 56 7.279 -1.021 1.250 1.00 0.00 C ATOM 814 C ILE A 56 8.249 -0.364 2.231 1.00 0.00 C ATOM 815 O ILE A 56 8.267 -0.702 3.418 1.00 0.00 O ATOM 816 CB ILE A 56 5.807 -0.637 1.574 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.963 -0.670 0.299 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.705 0.736 2.226 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.963 -1.803 0.262 1.00 0.00 C ATOM 0 H ILE A 56 7.558 -2.840 2.236 1.00 0.00 H new ATOM 0 HA ILE A 56 7.490 -0.661 0.243 1.00 0.00 H new ATOM 0 HB ILE A 56 5.427 -1.370 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.431 0.276 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.625 -0.753 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.660 0.963 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.270 0.739 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.112 1.490 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.401 -1.762 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.489 -2.755 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.276 -1.710 1.103 1.00 0.00 H new ATOM 830 N LEU A 57 9.158 0.438 1.700 1.00 0.00 N ATOM 831 CA LEU A 57 10.226 1.025 2.500 1.00 0.00 C ATOM 832 C LEU A 57 10.276 2.534 2.324 1.00 0.00 C ATOM 833 O LEU A 57 9.686 3.076 1.388 1.00 0.00 O ATOM 834 CB LEU A 57 11.581 0.431 2.103 1.00 0.00 C ATOM 835 CG LEU A 57 11.701 -1.084 2.257 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.168 -1.716 0.954 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.653 -1.425 3.393 1.00 0.00 C ATOM 0 H LEU A 57 9.179 0.699 0.714 1.00 0.00 H new ATOM 0 HA LEU A 57 10.017 0.796 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.782 0.691 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.357 0.903 2.706 1.00 0.00 H new ATOM 0 HG LEU A 57 10.718 -1.489 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.248 -2.796 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.449 -1.496 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.142 -1.310 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.729 -2.508 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.638 -1.010 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.275 -1.002 4.324 1.00 0.00 H new ATOM 849 N CYS A 58 11.052 3.190 3.178 1.00 0.00 N ATOM 850 CA CYS A 58 11.268 4.622 3.069 1.00 0.00 C ATOM 851 C CYS A 58 12.444 4.901 2.137 1.00 0.00 C ATOM 852 O CYS A 58 13.085 3.969 1.652 1.00 0.00 O ATOM 853 CB CYS A 58 11.525 5.226 4.454 1.00 0.00 C ATOM 854 SG CYS A 58 13.088 4.702 5.234 1.00 0.00 S ATOM 0 H CYS A 58 11.543 2.748 3.956 1.00 0.00 H new ATOM 0 HA CYS A 58 10.374 5.085 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.524 6.313 4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.698 4.958 5.112 1.00 0.00 H new ATOM 859 N ARG A 59 12.748 6.176 1.923 1.00 0.00 N ATOM 860 CA ARG A 59 13.870 6.563 1.072 1.00 0.00 C ATOM 861 C ARG A 59 15.184 6.030 1.636 1.00 0.00 C ATOM 862 O ARG A 59 15.974 5.416 0.920 1.00 0.00 O ATOM 863 CB ARG A 59 13.946 8.089 0.942 1.00 0.00 C ATOM 864 CG ARG A 59 14.093 8.591 -0.492 1.00 0.00 C ATOM 865 CD ARG A 59 14.950 7.661 -1.340 1.00 0.00 C ATOM 866 NE ARG A 59 16.195 8.292 -1.780 1.00 0.00 N ATOM 867 CZ ARG A 59 16.770 8.052 -2.960 1.00 0.00 C ATOM 868 NH1 ARG A 59 16.182 7.245 -3.838 1.00 0.00 N ATOM 869 NH2 ARG A 59 17.925 8.637 -3.274 1.00 0.00 N ATOM 0 H ARG A 59 12.234 6.960 2.326 1.00 0.00 H new ATOM 0 HA ARG A 59 13.708 6.130 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.046 8.524 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.790 8.450 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.106 8.687 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.538 9.586 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.184 6.764 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.380 7.342 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 59 16.649 8.953 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.289 6.808 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.624 7.063 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.372 9.271 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.362 8.451 -4.177 1.00 0.00 H new ATOM 883 N ASN A 60 15.405 6.266 2.920 1.00 0.00 N ATOM 884 CA ASN A 60 16.631 5.839 3.583 1.00 0.00 C ATOM 885 C ASN A 60 16.729 4.317 3.627 1.00 0.00 C ATOM 886 O ASN A 60 17.791 3.745 3.383 1.00 0.00 O ATOM 887 CB ASN A 60 16.694 6.414 5.006 1.00 0.00 C ATOM 888 CG ASN A 60 17.797 5.797 5.852 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.963 5.761 5.450 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.438 5.322 7.037 1.00 0.00 N ATOM 0 H ASN A 60 14.748 6.754 3.528 1.00 0.00 H new ATOM 0 HA ASN A 60 17.476 6.218 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.848 7.492 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.735 6.255 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.137 4.908 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.463 5.371 7.332 1.00 0.00 H new ATOM 897 N ASP A 61 15.627 3.664 3.969 1.00 0.00 N ATOM 898 CA ASP A 61 15.626 2.214 4.113 1.00 0.00 C ATOM 899 C ASP A 61 15.737 1.518 2.768 1.00 0.00 C ATOM 900 O ASP A 61 16.377 0.472 2.659 1.00 0.00 O ATOM 901 CB ASP A 61 14.383 1.740 4.852 1.00 0.00 C ATOM 902 CG ASP A 61 14.686 1.451 6.303 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.360 0.425 6.576 1.00 0.00 O ATOM 904 OD2 ASP A 61 14.311 2.262 7.177 1.00 0.00 O ATOM 0 H ASP A 61 14.728 4.111 4.151 1.00 0.00 H new ATOM 0 HA ASP A 61 16.504 1.948 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.605 2.500 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.993 0.842 4.374 1.00 0.00 H new ATOM 909 N TYR A 62 15.187 2.137 1.734 1.00 0.00 N ATOM 910 CA TYR A 62 15.309 1.610 0.382 1.00 0.00 C ATOM 911 C TYR A 62 16.778 1.552 -0.029 1.00 0.00 C ATOM 912 O TYR A 62 17.220 0.599 -0.676 1.00 0.00 O ATOM 913 CB TYR A 62 14.523 2.480 -0.606 1.00 0.00 C ATOM 914 CG TYR A 62 14.659 2.035 -2.044 1.00 0.00 C ATOM 915 CD1 TYR A 62 15.703 2.492 -2.838 1.00 0.00 C ATOM 916 CD2 TYR A 62 13.753 1.144 -2.601 1.00 0.00 C ATOM 917 CE1 TYR A 62 15.844 2.071 -4.141 1.00 0.00 C ATOM 918 CE2 TYR A 62 13.882 0.723 -3.907 1.00 0.00 C ATOM 919 CZ TYR A 62 14.931 1.188 -4.672 1.00 0.00 C ATOM 920 OH TYR A 62 15.068 0.761 -5.970 1.00 0.00 O ATOM 0 H TYR A 62 14.653 3.003 1.804 1.00 0.00 H new ATOM 0 HA TYR A 62 14.895 0.602 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.469 2.468 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.864 3.512 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 62 16.417 3.190 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.934 0.775 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.665 2.431 -4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 62 13.166 0.033 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 62 15.983 0.934 -6.277 1.00 0.00 H new ATOM 930 N ILE A 63 17.535 2.563 0.375 1.00 0.00 N ATOM 931 CA ILE A 63 18.955 2.634 0.055 1.00 0.00 C ATOM 932 C ILE A 63 19.732 1.548 0.800 1.00 0.00 C ATOM 933 O ILE A 63 20.734 1.029 0.304 1.00 0.00 O ATOM 934 CB ILE A 63 19.536 4.029 0.385 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.796 5.117 -0.403 1.00 0.00 C ATOM 936 CG2 ILE A 63 21.025 4.082 0.080 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.492 4.737 -1.838 1.00 0.00 C ATOM 0 H ILE A 63 17.188 3.348 0.927 1.00 0.00 H new ATOM 0 HA ILE A 63 19.061 2.467 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 63 19.397 4.210 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.861 5.349 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.396 6.027 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.411 5.073 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.546 3.335 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.187 3.876 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.968 5.557 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.424 4.534 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.865 3.845 -1.853 1.00 0.00 H new ATOM 948 N ARG A 64 19.205 1.136 1.942 1.00 0.00 N ATOM 949 CA ARG A 64 19.798 0.045 2.704 1.00 0.00 C ATOM 950 C ARG A 64 19.381 -1.301 2.121 1.00 0.00 C ATOM 951 O ARG A 64 20.098 -2.295 2.244 1.00 0.00 O ATOM 952 CB ARG A 64 19.370 0.125 4.168 1.00 0.00 C ATOM 953 CG ARG A 64 20.290 0.975 5.025 1.00 0.00 C ATOM 954 CD ARG A 64 19.516 2.043 5.780 1.00 0.00 C ATOM 955 NE ARG A 64 18.385 1.483 6.517 1.00 0.00 N ATOM 956 CZ ARG A 64 18.432 1.131 7.801 1.00 0.00 C ATOM 957 NH1 ARG A 64 19.566 1.229 8.483 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.349 0.651 8.392 1.00 0.00 N ATOM 0 H ARG A 64 18.368 1.539 2.363 1.00 0.00 H new ATOM 0 HA ARG A 64 20.882 0.137 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.360 0.531 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.330 -0.883 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.820 0.339 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.044 1.447 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.184 2.552 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.155 2.794 5.077 1.00 0.00 H new ATOM 0 HE ARG A 64 17.505 1.354 6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.409 1.576 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.595 0.958 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.482 0.552 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.382 0.381 9.375 1.00 0.00 H new ATOM 972 N LEU A 65 18.197 -1.335 1.528 1.00 0.00 N ATOM 973 CA LEU A 65 17.658 -2.563 0.966 1.00 0.00 C ATOM 974 C LEU A 65 18.296 -2.871 -0.383 1.00 0.00 C ATOM 975 O LEU A 65 18.810 -3.968 -0.594 1.00 0.00 O ATOM 976 CB LEU A 65 16.138 -2.459 0.817 1.00 0.00 C ATOM 977 CG LEU A 65 15.336 -3.516 1.578 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.616 -4.906 1.026 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.652 -3.458 3.065 1.00 0.00 C ATOM 0 H LEU A 65 17.589 -0.522 1.424 1.00 0.00 H new ATOM 0 HA LEU A 65 17.892 -3.378 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.822 -1.472 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.887 -2.528 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 65 14.276 -3.303 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.035 -5.642 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.336 -4.943 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.678 -5.130 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.072 -4.217 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.715 -3.643 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.395 -2.472 3.453 1.00 0.00 H new ATOM 991 N PHE A 66 18.248 -1.910 -1.298 1.00 0.00 N ATOM 992 CA PHE A 66 18.810 -2.107 -2.629 1.00 0.00 C ATOM 993 C PHE A 66 19.878 -1.061 -2.934 1.00 0.00 C ATOM 994 O PHE A 66 20.978 -1.400 -3.375 1.00 0.00 O ATOM 995 CB PHE A 66 17.704 -2.045 -3.690 1.00 0.00 C ATOM 996 CG PHE A 66 16.467 -2.808 -3.315 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.411 -4.183 -3.470 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.361 -2.151 -2.801 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.277 -4.889 -3.121 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.223 -2.850 -2.452 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.181 -4.220 -2.611 1.00 0.00 C ATOM 0 H PHE A 66 17.829 -0.993 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 66 19.275 -3.092 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.438 -1.002 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.092 -2.437 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.265 -4.710 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.389 -1.079 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.247 -5.961 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.367 -2.325 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.292 -4.769 -2.337 1.00 0.00 H new ATOM 1011 N GLY A 67 19.595 0.190 -2.600 1.00 0.00 N ATOM 1012 CA GLY A 67 20.573 1.243 -2.793 1.00 0.00 C ATOM 1013 C GLY A 67 20.195 2.211 -3.895 1.00 0.00 C ATOM 1014 O GLY A 67 19.067 2.197 -4.380 1.00 0.00 O ATOM 0 H GLY A 67 18.708 0.495 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.694 1.793 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.539 0.795 -3.027 1.00 0.00 H new ATOM 1018 N ASN A 68 21.149 3.058 -4.267 1.00 0.00 N ATOM 1019 CA ASN A 68 20.957 4.072 -5.302 1.00 0.00 C ATOM 1020 C ASN A 68 22.296 4.728 -5.599 1.00 0.00 C ATOM 1021 O ASN A 68 22.850 5.424 -4.748 1.00 0.00 O ATOM 1022 CB ASN A 68 19.959 5.139 -4.840 1.00 0.00 C ATOM 1023 CG ASN A 68 19.039 5.639 -5.944 1.00 0.00 C ATOM 1024 OD1 ASN A 68 17.931 6.101 -5.670 1.00 0.00 O ATOM 1025 ND2 ASN A 68 19.482 5.570 -7.193 1.00 0.00 N ATOM 0 H ASN A 68 22.083 3.062 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 68 20.560 3.594 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 68 19.352 4.730 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 68 20.510 5.985 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.899 5.906 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 68 20.405 5.182 -7.386 1.00 0.00 H new ATOM 1032 N SER A 69 22.877 4.406 -6.743 1.00 0.00 N ATOM 1033 CA SER A 69 24.213 4.876 -7.077 1.00 0.00 C ATOM 1034 C SER A 69 24.201 6.344 -7.512 1.00 0.00 C ATOM 1035 O SER A 69 25.249 6.937 -7.763 1.00 0.00 O ATOM 1036 CB SER A 69 24.797 3.993 -8.177 1.00 0.00 C ATOM 1037 OG SER A 69 23.896 2.942 -8.506 1.00 0.00 O ATOM 0 H SER A 69 22.444 3.820 -7.457 1.00 0.00 H new ATOM 0 HA SER A 69 24.838 4.810 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 69 25.002 4.594 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.748 3.574 -7.848 1.00 0.00 H new ATOM 0 HG SER A 69 24.019 2.688 -9.444 1.00 0.00 H new ATOM 1043 N GLY A 70 23.013 6.929 -7.585 1.00 0.00 N ATOM 1044 CA GLY A 70 22.890 8.319 -7.963 1.00 0.00 C ATOM 1045 C GLY A 70 21.767 8.545 -8.949 1.00 0.00 C ATOM 1046 O GLY A 70 20.722 7.895 -8.868 1.00 0.00 O ATOM 0 H GLY A 70 22.129 6.461 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 70 22.716 8.922 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 23.829 8.659 -8.400 1.00 0.00 H new ATOM 1050 N ALA A 71 21.984 9.466 -9.876 1.00 0.00 N ATOM 1051 CA ALA A 71 20.992 9.792 -10.891 1.00 0.00 C ATOM 1052 C ALA A 71 21.657 10.428 -12.105 1.00 0.00 C ATOM 1053 O ALA A 71 22.749 10.992 -12.003 1.00 0.00 O ATOM 1054 CB ALA A 71 19.938 10.726 -10.315 1.00 0.00 C ATOM 0 H ALA A 71 22.847 10.006 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 71 20.506 8.870 -11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 71 19.202 10.962 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.442 10.241 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 71 20.414 11.645 -9.974 1.00 0.00 H new ATOM 1060 N GLY A 72 21.021 10.298 -13.258 1.00 0.00 N ATOM 1061 CA GLY A 72 21.574 10.861 -14.474 1.00 0.00 C ATOM 1062 C GLY A 72 22.304 9.827 -15.306 1.00 0.00 C ATOM 1063 O GLY A 72 23.288 10.139 -15.977 1.00 0.00 O ATOM 0 H GLY A 72 20.131 9.813 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.771 11.300 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.260 11.669 -14.219 1.00 0.00 H new ATOM 1067 N GLY A 73 21.829 8.593 -15.253 1.00 0.00 N ATOM 1068 CA GLY A 73 22.461 7.526 -15.999 1.00 0.00 C ATOM 1069 C GLY A 73 22.277 6.185 -15.326 1.00 0.00 C ATOM 1070 O GLY A 73 21.972 6.124 -14.135 1.00 0.00 O ATOM 0 H GLY A 73 21.016 8.311 -14.706 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.043 7.488 -17.005 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.525 7.737 -16.104 1.00 0.00 H new ATOM 1074 N SER A 74 22.450 5.118 -16.084 1.00 0.00 N ATOM 1075 CA SER A 74 22.265 3.772 -15.568 1.00 0.00 C ATOM 1076 C SER A 74 23.555 3.238 -14.952 1.00 0.00 C ATOM 1077 O SER A 74 24.639 3.777 -15.189 1.00 0.00 O ATOM 1078 CB SER A 74 21.801 2.857 -16.700 1.00 0.00 C ATOM 1079 OG SER A 74 21.660 3.588 -17.910 1.00 0.00 O ATOM 0 H SER A 74 22.720 5.157 -17.067 1.00 0.00 H new ATOM 0 HA SER A 74 21.508 3.798 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.519 2.049 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.850 2.396 -16.435 1.00 0.00 H new ATOM 0 HG SER A 74 21.364 2.985 -18.624 1.00 0.00 H new ATOM 1085 N GLY A 75 23.428 2.191 -14.146 1.00 0.00 N ATOM 1086 CA GLY A 75 24.583 1.593 -13.508 1.00 0.00 C ATOM 1087 C GLY A 75 24.995 2.328 -12.252 1.00 0.00 C ATOM 1088 O GLY A 75 24.311 2.257 -11.230 1.00 0.00 O ATOM 0 H GLY A 75 22.539 1.744 -13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.361 0.555 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.417 1.583 -14.210 1.00 0.00 H new ATOM 1092 N GLY A 76 26.104 3.045 -12.335 1.00 0.00 N ATOM 1093 CA GLY A 76 26.592 3.790 -11.197 1.00 0.00 C ATOM 1094 C GLY A 76 27.879 3.219 -10.644 1.00 0.00 C ATOM 1095 O GLY A 76 28.317 2.140 -11.051 1.00 0.00 O ATOM 0 H GLY A 76 26.677 3.124 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.753 4.828 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.833 3.792 -10.415 1.00 0.00 H new ATOM 1099 N HIS A 77 28.501 3.955 -9.740 1.00 0.00 N ATOM 1100 CA HIS A 77 29.754 3.531 -9.135 1.00 0.00 C ATOM 1101 C HIS A 77 29.835 4.006 -7.691 1.00 0.00 C ATOM 1102 O HIS A 77 30.365 3.304 -6.828 1.00 0.00 O ATOM 1103 CB HIS A 77 30.946 4.064 -9.934 1.00 0.00 C ATOM 1104 CG HIS A 77 31.822 2.983 -10.487 1.00 0.00 C ATOM 1105 ND1 HIS A 77 32.958 3.236 -11.221 1.00 0.00 N ATOM 1106 CD2 HIS A 77 31.721 1.636 -10.407 1.00 0.00 C ATOM 1107 CE1 HIS A 77 33.516 2.093 -11.571 1.00 0.00 C ATOM 1108 NE2 HIS A 77 32.789 1.106 -11.088 1.00 0.00 N ATOM 0 H HIS A 77 28.157 4.855 -9.406 1.00 0.00 H new ATOM 0 HA HIS A 77 29.788 2.442 -9.147 1.00 0.00 H new ATOM 0 HB2 HIS A 77 30.578 4.679 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS A 77 31.543 4.713 -9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 77 30.945 1.081 -9.901 1.00 0.00 H new ATOM 0 HE1 HIS A 77 34.418 1.984 -12.156 1.00 0.00 H new ATOM 0 HE2 HIS A 77 32.987 0.112 -11.201 1.00 0.00 H new ATOM 1117 N MET A 78 29.296 5.194 -7.433 1.00 0.00 N ATOM 1118 CA MET A 78 29.287 5.765 -6.090 1.00 0.00 C ATOM 1119 C MET A 78 28.298 6.919 -6.010 1.00 0.00 C ATOM 1120 O MET A 78 28.418 7.902 -6.743 1.00 0.00 O ATOM 1121 CB MET A 78 30.688 6.250 -5.700 1.00 0.00 C ATOM 1122 CG MET A 78 30.780 6.783 -4.278 1.00 0.00 C ATOM 1123 SD MET A 78 30.392 5.532 -3.040 1.00 0.00 S ATOM 1124 CE MET A 78 32.038 5.055 -2.513 1.00 0.00 C ATOM 0 H MET A 78 28.857 5.783 -8.141 1.00 0.00 H new ATOM 0 HA MET A 78 28.979 4.987 -5.392 1.00 0.00 H new ATOM 0 HB2 MET A 78 31.393 5.426 -5.816 1.00 0.00 H new ATOM 0 HB3 MET A 78 30.997 7.033 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 78 31.786 7.163 -4.101 1.00 0.00 H new ATOM 0 HG3 MET A 78 30.097 7.625 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 78 31.965 4.285 -1.745 1.00 0.00 H new ATOM 0 HE2 MET A 78 32.595 4.666 -3.366 1.00 0.00 H new ATOM 0 HE3 MET A 78 32.556 5.924 -2.107 1.00 0.00 H new ATOM 1134 N GLY A 79 27.322 6.790 -5.123 1.00 0.00 N ATOM 1135 CA GLY A 79 26.322 7.821 -4.958 1.00 0.00 C ATOM 1136 C GLY A 79 25.738 7.831 -3.560 1.00 0.00 C ATOM 1137 O GLY A 79 26.467 7.991 -2.579 1.00 0.00 O ATOM 0 H GLY A 79 27.206 5.982 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 79 26.766 8.793 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 79 25.523 7.669 -5.683 1.00 0.00 H new ATOM 1141 N SER A 80 24.427 7.674 -3.467 1.00 0.00 N ATOM 1142 CA SER A 80 23.741 7.693 -2.186 1.00 0.00 C ATOM 1143 C SER A 80 23.987 6.398 -1.415 1.00 0.00 C ATOM 1144 O SER A 80 24.301 6.421 -0.222 1.00 0.00 O ATOM 1145 CB SER A 80 22.246 7.899 -2.420 1.00 0.00 C ATOM 1146 OG SER A 80 21.986 8.151 -3.793 1.00 0.00 O ATOM 0 H SER A 80 23.814 7.531 -4.269 1.00 0.00 H new ATOM 0 HA SER A 80 24.132 8.515 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.696 7.015 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.890 8.734 -1.817 1.00 0.00 H new ATOM 0 HG SER A 80 21.023 8.279 -3.926 1.00 0.00 H new ATOM 1152 N GLY A 81 23.869 5.274 -2.107 1.00 0.00 N ATOM 1153 CA GLY A 81 24.092 3.991 -1.480 1.00 0.00 C ATOM 1154 C GLY A 81 24.362 2.904 -2.492 1.00 0.00 C ATOM 1155 O GLY A 81 23.986 3.025 -3.655 1.00 0.00 O ATOM 0 H GLY A 81 23.622 5.230 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.936 4.065 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 81 23.220 3.723 -0.884 1.00 0.00 H new ATOM 1159 N GLY A 82 25.010 1.841 -2.056 1.00 0.00 N ATOM 1160 CA GLY A 82 25.334 0.759 -2.954 1.00 0.00 C ATOM 1161 C GLY A 82 26.819 0.486 -2.986 1.00 0.00 C ATOM 1162 O GLY A 82 27.480 0.537 -1.947 1.00 0.00 O ATOM 0 H GLY A 82 25.319 1.707 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 82 24.805 -0.142 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 82 24.987 1.003 -3.958 1.00 0.00 H new ATOM 1166 N ASP A 83 27.351 0.240 -4.176 1.00 0.00 N ATOM 1167 CA ASP A 83 28.773 -0.034 -4.342 1.00 0.00 C ATOM 1168 C ASP A 83 29.146 -0.020 -5.818 1.00 0.00 C ATOM 1169 O ASP A 83 28.362 0.421 -6.659 1.00 0.00 O ATOM 1170 CB ASP A 83 29.127 -1.398 -3.743 1.00 0.00 C ATOM 1171 CG ASP A 83 30.458 -1.396 -3.023 1.00 0.00 C ATOM 1172 OD1 ASP A 83 31.473 -1.016 -3.642 1.00 0.00 O ATOM 1173 OD2 ASP A 83 30.495 -1.790 -1.838 1.00 0.00 O ATOM 0 H ASP A 83 26.816 0.225 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 83 29.333 0.743 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.343 -1.698 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.150 -2.143 -4.538 1.00 0.00 H new ATOM 1178 N VAL A 84 30.312 -0.565 -6.130 1.00 0.00 N ATOM 1179 CA VAL A 84 30.774 -0.664 -7.506 1.00 0.00 C ATOM 1180 C VAL A 84 29.989 -1.723 -8.277 1.00 0.00 C ATOM 1181 O VAL A 84 30.003 -1.749 -9.507 1.00 0.00 O ATOM 1182 CB VAL A 84 32.277 -1.001 -7.581 1.00 0.00 C ATOM 1183 CG1 VAL A 84 33.116 0.254 -7.427 1.00 0.00 C ATOM 1184 CG2 VAL A 84 32.656 -2.031 -6.527 1.00 0.00 C ATOM 0 H VAL A 84 30.960 -0.948 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 84 30.608 0.313 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 84 32.478 -1.430 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 84 34.173 -0.006 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 32.872 0.955 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 84 32.906 0.716 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 84 33.721 -2.252 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.435 -1.635 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.084 -2.945 -6.689 1.00 0.00 H new ATOM 1194 N MET A 85 29.301 -2.594 -7.547 1.00 0.00 N ATOM 1195 CA MET A 85 28.505 -3.645 -8.163 1.00 0.00 C ATOM 1196 C MET A 85 27.045 -3.532 -7.744 1.00 0.00 C ATOM 1197 O MET A 85 26.614 -4.169 -6.782 1.00 0.00 O ATOM 1198 CB MET A 85 29.052 -5.024 -7.785 1.00 0.00 C ATOM 1199 CG MET A 85 28.456 -6.159 -8.606 1.00 0.00 C ATOM 1200 SD MET A 85 29.262 -6.349 -10.209 1.00 0.00 S ATOM 1201 CE MET A 85 27.840 -6.549 -11.281 1.00 0.00 C ATOM 0 H MET A 85 29.280 -2.592 -6.527 1.00 0.00 H new ATOM 0 HA MET A 85 28.567 -3.526 -9.245 1.00 0.00 H new ATOM 0 HB2 MET A 85 30.135 -5.024 -7.912 1.00 0.00 H new ATOM 0 HB3 MET A 85 28.855 -5.207 -6.729 1.00 0.00 H new ATOM 0 HG2 MET A 85 28.541 -7.091 -8.047 1.00 0.00 H new ATOM 0 HG3 MET A 85 27.392 -5.974 -8.757 1.00 0.00 H new ATOM 0 HE1 MET A 85 28.175 -6.678 -12.310 1.00 0.00 H new ATOM 0 HE2 MET A 85 27.272 -7.426 -10.972 1.00 0.00 H new ATOM 0 HE3 MET A 85 27.206 -5.665 -11.214 1.00 0.00 H new ATOM 1211 N VAL A 86 26.284 -2.748 -8.487 1.00 0.00 N ATOM 1212 CA VAL A 86 24.861 -2.593 -8.220 1.00 0.00 C ATOM 1213 C VAL A 86 24.040 -3.280 -9.305 1.00 0.00 C ATOM 1214 O VAL A 86 23.058 -3.964 -9.017 1.00 0.00 O ATOM 1215 CB VAL A 86 24.439 -1.108 -8.120 1.00 0.00 C ATOM 1216 CG1 VAL A 86 24.337 -0.684 -6.662 1.00 0.00 C ATOM 1217 CG2 VAL A 86 25.405 -0.202 -8.872 1.00 0.00 C ATOM 0 H VAL A 86 26.626 -2.207 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 86 24.668 -3.061 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 86 23.459 -1.007 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.039 0.363 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 86 23.594 -1.299 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 25.305 -0.812 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.078 0.834 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 86 26.405 -0.306 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 86 25.425 -0.485 -9.924 1.00 0.00 H new ATOM 1227 N VAL A 87 24.485 -3.142 -10.545 1.00 0.00 N ATOM 1228 CA VAL A 87 23.837 -3.792 -11.679 1.00 0.00 C ATOM 1229 C VAL A 87 24.885 -4.202 -12.707 1.00 0.00 C ATOM 1230 O VAL A 87 26.058 -3.841 -12.579 1.00 0.00 O ATOM 1231 CB VAL A 87 22.793 -2.877 -12.366 1.00 0.00 C ATOM 1232 CG1 VAL A 87 21.391 -3.172 -11.850 1.00 0.00 C ATOM 1233 CG2 VAL A 87 23.138 -1.406 -12.176 1.00 0.00 C ATOM 0 H VAL A 87 25.299 -2.581 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 87 23.315 -4.667 -11.291 1.00 0.00 H new ATOM 0 HB VAL A 87 22.817 -3.091 -13.435 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.675 -2.517 -12.347 1.00 0.00 H new ATOM 0 HG12 VAL A 87 21.138 -4.211 -12.059 1.00 0.00 H new ATOM 0 HG13 VAL A 87 21.355 -2.999 -10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 87 22.387 -0.789 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 87 23.158 -1.171 -11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 87 24.117 -1.203 -12.611 1.00 0.00 H new ATOM 1243 N GLY A 88 24.460 -4.928 -13.730 1.00 0.00 N ATOM 1244 CA GLY A 88 25.372 -5.324 -14.782 1.00 0.00 C ATOM 1245 C GLY A 88 25.936 -4.126 -15.520 1.00 0.00 C ATOM 1246 O GLY A 88 25.186 -3.230 -15.910 1.00 0.00 O ATOM 0 H GLY A 88 23.500 -5.250 -13.850 1.00 0.00 H new ATOM 0 HA2 GLY A 88 26.189 -5.905 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 88 24.853 -5.974 -15.487 1.00 0.00 H new ATOM 1250 N GLU A 89 27.264 -4.088 -15.641 1.00 0.00 N ATOM 1251 CA GLU A 89 27.974 -2.973 -16.269 1.00 0.00 C ATOM 1252 C GLU A 89 27.833 -1.697 -15.440 1.00 0.00 C ATOM 1253 O GLU A 89 26.831 -0.981 -15.531 1.00 0.00 O ATOM 1254 CB GLU A 89 27.485 -2.743 -17.701 1.00 0.00 C ATOM 1255 CG GLU A 89 27.890 -3.848 -18.660 1.00 0.00 C ATOM 1256 CD GLU A 89 29.266 -3.634 -19.254 1.00 0.00 C ATOM 1257 OE1 GLU A 89 30.246 -3.535 -18.487 1.00 0.00 O ATOM 1258 OE2 GLU A 89 29.373 -3.558 -20.496 1.00 0.00 O ATOM 0 H GLU A 89 27.878 -4.830 -15.306 1.00 0.00 H new ATOM 0 HA GLU A 89 29.031 -3.236 -16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 89 26.399 -2.656 -17.697 1.00 0.00 H new ATOM 0 HB3 GLU A 89 27.880 -1.794 -18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 89 27.870 -4.803 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 89 27.158 -3.911 -19.465 1.00 0.00 H new ATOM 1265 N PRO A 90 28.833 -1.411 -14.595 1.00 0.00 N ATOM 1266 CA PRO A 90 28.833 -0.242 -13.718 1.00 0.00 C ATOM 1267 C PRO A 90 29.164 1.048 -14.467 1.00 0.00 C ATOM 1268 O PRO A 90 30.213 1.657 -14.245 1.00 0.00 O ATOM 1269 CB PRO A 90 29.924 -0.556 -12.683 1.00 0.00 C ATOM 1270 CG PRO A 90 30.389 -1.947 -12.976 1.00 0.00 C ATOM 1271 CD PRO A 90 30.040 -2.216 -14.408 1.00 0.00 C ATOM 0 HA PRO A 90 27.851 -0.072 -13.277 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.748 0.154 -12.758 1.00 0.00 H new ATOM 0 HB3 PRO A 90 29.531 -0.482 -11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 90 31.463 -2.040 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 90 29.904 -2.666 -12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 90 30.839 -1.913 -15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 90 29.854 -3.275 -14.589 1.00 0.00 H new ATOM 1279 N THR A 91 28.264 1.454 -15.351 1.00 0.00 N ATOM 1280 CA THR A 91 28.429 2.677 -16.119 1.00 0.00 C ATOM 1281 C THR A 91 28.455 3.894 -15.194 1.00 0.00 C ATOM 1282 O THR A 91 27.521 4.124 -14.425 1.00 0.00 O ATOM 1283 CB THR A 91 27.288 2.825 -17.141 1.00 0.00 C ATOM 1284 OG1 THR A 91 26.941 1.531 -17.660 1.00 0.00 O ATOM 1285 CG2 THR A 91 27.689 3.747 -18.283 1.00 0.00 C ATOM 0 H THR A 91 27.403 0.947 -15.555 1.00 0.00 H new ATOM 0 HA THR A 91 29.379 2.619 -16.651 1.00 0.00 H new ATOM 0 HB THR A 91 26.428 3.265 -16.637 1.00 0.00 H new ATOM 0 HG1 THR A 91 26.213 1.624 -18.310 1.00 0.00 H new ATOM 0 HG21 THR A 91 26.863 3.832 -18.989 1.00 0.00 H new ATOM 0 HG22 THR A 91 27.931 4.733 -17.887 1.00 0.00 H new ATOM 0 HG23 THR A 91 28.561 3.337 -18.793 1.00 0.00 H new ATOM 1293 N LEU A 92 29.547 4.640 -15.230 1.00 0.00 N ATOM 1294 CA LEU A 92 29.714 5.791 -14.350 1.00 0.00 C ATOM 1295 C LEU A 92 29.025 7.022 -14.930 1.00 0.00 C ATOM 1296 O LEU A 92 29.656 8.055 -15.159 1.00 0.00 O ATOM 1297 CB LEU A 92 31.203 6.078 -14.110 1.00 0.00 C ATOM 1298 CG LEU A 92 32.167 5.469 -15.132 1.00 0.00 C ATOM 1299 CD1 LEU A 92 33.226 6.482 -15.540 1.00 0.00 C ATOM 1300 CD2 LEU A 92 32.819 4.216 -14.570 1.00 0.00 C ATOM 0 H LEU A 92 30.333 4.471 -15.858 1.00 0.00 H new ATOM 0 HA LEU A 92 29.247 5.554 -13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 92 31.349 7.158 -14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 92 31.471 5.709 -13.120 1.00 0.00 H new ATOM 0 HG LEU A 92 31.596 5.193 -16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 92 33.901 6.030 -16.267 1.00 0.00 H new ATOM 0 HD12 LEU A 92 32.744 7.353 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 92 33.792 6.790 -14.661 1.00 0.00 H new ATOM 0 HD21 LEU A 92 33.501 3.797 -15.310 1.00 0.00 H new ATOM 0 HD22 LEU A 92 33.375 4.469 -13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 92 32.050 3.482 -14.329 1.00 0.00 H new ATOM 1312 N MET A 93 27.731 6.899 -15.186 1.00 0.00 N ATOM 1313 CA MET A 93 26.960 7.994 -15.758 1.00 0.00 C ATOM 1314 C MET A 93 26.088 8.657 -14.698 1.00 0.00 C ATOM 1315 O MET A 93 25.974 9.880 -14.648 1.00 0.00 O ATOM 1316 CB MET A 93 26.092 7.491 -16.909 1.00 0.00 C ATOM 1317 CG MET A 93 26.427 8.134 -18.245 1.00 0.00 C ATOM 1318 SD MET A 93 26.918 9.861 -18.084 1.00 0.00 S ATOM 1319 CE MET A 93 28.517 9.837 -18.893 1.00 0.00 C ATOM 0 H MET A 93 27.192 6.052 -15.007 1.00 0.00 H new ATOM 0 HA MET A 93 27.661 8.735 -16.141 1.00 0.00 H new ATOM 0 HB2 MET A 93 26.207 6.411 -16.995 1.00 0.00 H new ATOM 0 HB3 MET A 93 25.045 7.682 -16.675 1.00 0.00 H new ATOM 0 HG2 MET A 93 27.233 7.575 -18.721 1.00 0.00 H new ATOM 0 HG3 MET A 93 25.561 8.067 -18.903 1.00 0.00 H new ATOM 0 HE1 MET A 93 28.949 10.837 -18.874 1.00 0.00 H new ATOM 0 HE2 MET A 93 29.179 9.146 -18.371 1.00 0.00 H new ATOM 0 HE3 MET A 93 28.397 9.513 -19.927 1.00 0.00 H new ATOM 1329 N GLY A 94 25.501 7.847 -13.832 1.00 0.00 N ATOM 1330 CA GLY A 94 24.669 8.377 -12.772 1.00 0.00 C ATOM 1331 C GLY A 94 24.465 7.369 -11.667 1.00 0.00 C ATOM 1332 O GLY A 94 25.135 7.423 -10.638 1.00 0.00 O ATOM 0 H GLY A 94 25.586 6.831 -13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 94 25.129 9.277 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.702 8.670 -13.180 1.00 0.00 H new ATOM 1336 N GLY A 95 23.587 6.410 -11.907 1.00 0.00 N ATOM 1337 CA GLY A 95 23.353 5.366 -10.937 1.00 0.00 C ATOM 1338 C GLY A 95 21.885 5.170 -10.632 1.00 0.00 C ATOM 1339 O GLY A 95 21.503 5.022 -9.469 1.00 0.00 O ATOM 0 H GLY A 95 23.031 6.337 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 95 23.771 4.430 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 95 23.882 5.607 -10.015 1.00 0.00 H new ATOM 1343 N GLU A 96 21.066 5.158 -11.678 1.00 0.00 N ATOM 1344 CA GLU A 96 19.635 4.947 -11.529 1.00 0.00 C ATOM 1345 C GLU A 96 19.368 3.579 -10.913 1.00 0.00 C ATOM 1346 O GLU A 96 19.825 2.556 -11.429 1.00 0.00 O ATOM 1347 CB GLU A 96 18.939 5.067 -12.885 1.00 0.00 C ATOM 1348 CG GLU A 96 18.168 6.365 -13.056 1.00 0.00 C ATOM 1349 CD GLU A 96 18.782 7.283 -14.090 1.00 0.00 C ATOM 1350 OE1 GLU A 96 18.898 6.870 -15.264 1.00 0.00 O ATOM 1351 OE2 GLU A 96 19.140 8.428 -13.739 1.00 0.00 O ATOM 0 H GLU A 96 21.373 5.293 -12.641 1.00 0.00 H new ATOM 0 HA GLU A 96 19.234 5.712 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.685 4.990 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 96 18.255 4.228 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 96 17.142 6.137 -13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 96 18.123 6.884 -12.098 1.00 0.00 H new ATOM 1358 N PHE A 97 18.733 3.579 -9.752 1.00 0.00 N ATOM 1359 CA PHE A 97 18.525 2.352 -8.998 1.00 0.00 C ATOM 1360 C PHE A 97 17.235 2.411 -8.190 1.00 0.00 C ATOM 1361 O PHE A 97 17.183 1.972 -7.043 1.00 0.00 O ATOM 1362 CB PHE A 97 19.712 2.102 -8.066 1.00 0.00 C ATOM 1363 CG PHE A 97 20.006 0.648 -7.863 1.00 0.00 C ATOM 1364 CD1 PHE A 97 20.164 -0.195 -8.949 1.00 0.00 C ATOM 1365 CD2 PHE A 97 20.130 0.126 -6.589 1.00 0.00 C ATOM 1366 CE1 PHE A 97 20.439 -1.535 -8.770 1.00 0.00 C ATOM 1367 CE2 PHE A 97 20.403 -1.215 -6.402 1.00 0.00 C ATOM 1368 CZ PHE A 97 20.560 -2.046 -7.492 1.00 0.00 C ATOM 0 H PHE A 97 18.352 4.416 -9.310 1.00 0.00 H new ATOM 0 HA PHE A 97 18.443 1.530 -9.709 1.00 0.00 H new ATOM 0 HB2 PHE A 97 20.596 2.591 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 97 19.510 2.564 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 97 20.071 0.201 -9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 97 20.012 0.773 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 97 20.559 -2.182 -9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 97 20.494 -1.613 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 97 20.777 -3.094 -7.347 1.00 0.00 H new ATOM 1378 N GLY A 98 16.190 2.935 -8.800 1.00 0.00 N ATOM 1379 CA GLY A 98 14.909 3.025 -8.124 1.00 0.00 C ATOM 1380 C GLY A 98 14.697 4.377 -7.481 1.00 0.00 C ATOM 1381 O GLY A 98 13.849 4.532 -6.608 1.00 0.00 O ATOM 0 H GLY A 98 16.200 3.301 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.109 2.835 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.847 2.248 -7.362 1.00 0.00 H new ATOM 1385 N ASP A 99 15.467 5.355 -7.933 1.00 0.00 N ATOM 1386 CA ASP A 99 15.374 6.723 -7.430 1.00 0.00 C ATOM 1387 C ASP A 99 13.963 7.267 -7.597 1.00 0.00 C ATOM 1388 O ASP A 99 13.313 7.646 -6.622 1.00 0.00 O ATOM 1389 CB ASP A 99 16.365 7.624 -8.170 1.00 0.00 C ATOM 1390 CG ASP A 99 16.786 7.036 -9.500 1.00 0.00 C ATOM 1391 OD1 ASP A 99 17.620 6.108 -9.502 1.00 0.00 O ATOM 1392 OD2 ASP A 99 16.249 7.461 -10.544 1.00 0.00 O ATOM 0 H ASP A 99 16.174 5.226 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 99 15.619 6.712 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.913 8.602 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 99 17.246 7.780 -7.548 1.00 0.00 H new ATOM 1397 N GLU A 100 13.473 7.255 -8.831 1.00 0.00 N ATOM 1398 CA GLU A 100 12.128 7.735 -9.122 1.00 0.00 C ATOM 1399 C GLU A 100 11.113 6.593 -9.058 1.00 0.00 C ATOM 1400 O GLU A 100 10.129 6.583 -9.800 1.00 0.00 O ATOM 1401 CB GLU A 100 12.078 8.404 -10.501 1.00 0.00 C ATOM 1402 CG GLU A 100 13.251 9.336 -10.777 1.00 0.00 C ATOM 1403 CD GLU A 100 12.955 10.781 -10.421 1.00 0.00 C ATOM 1404 OE1 GLU A 100 11.767 11.134 -10.267 1.00 0.00 O ATOM 1405 OE2 GLU A 100 13.914 11.572 -10.291 1.00 0.00 O ATOM 0 H GLU A 100 13.987 6.918 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 100 11.867 8.473 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.053 7.631 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.150 8.969 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.118 8.998 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.517 9.274 -11.832 1.00 0.00 H new ATOM 1412 N ASP A 101 11.328 5.660 -8.137 1.00 0.00 N ATOM 1413 CA ASP A 101 10.396 4.547 -7.938 1.00 0.00 C ATOM 1414 C ASP A 101 9.302 4.950 -6.958 1.00 0.00 C ATOM 1415 O ASP A 101 8.306 4.247 -6.791 1.00 0.00 O ATOM 1416 CB ASP A 101 11.135 3.314 -7.404 1.00 0.00 C ATOM 1417 CG ASP A 101 10.592 2.004 -7.948 1.00 0.00 C ATOM 1418 OD1 ASP A 101 9.383 1.731 -7.791 1.00 0.00 O ATOM 1419 OD2 ASP A 101 11.382 1.227 -8.526 1.00 0.00 O ATOM 0 H ASP A 101 12.137 5.649 -7.516 1.00 0.00 H new ATOM 0 HA ASP A 101 9.947 4.300 -8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 101 12.192 3.394 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.069 3.303 -6.316 1.00 0.00 H new ATOM 1424 N GLU A 102 9.493 6.095 -6.314 1.00 0.00 N ATOM 1425 CA GLU A 102 8.539 6.591 -5.331 1.00 0.00 C ATOM 1426 C GLU A 102 7.322 7.220 -6.013 1.00 0.00 C ATOM 1427 O GLU A 102 6.964 6.835 -7.129 1.00 0.00 O ATOM 1428 CB GLU A 102 9.212 7.596 -4.387 1.00 0.00 C ATOM 1429 CG GLU A 102 10.363 8.361 -5.016 1.00 0.00 C ATOM 1430 CD GLU A 102 9.894 9.439 -5.969 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.266 10.414 -5.507 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.143 9.311 -7.183 1.00 0.00 O ATOM 0 H GLU A 102 10.303 6.699 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 102 8.191 5.743 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.464 8.308 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.580 7.064 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.966 8.814 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.008 7.664 -5.551 1.00 0.00 H new ATOM 1439 N ARG A 103 6.683 8.174 -5.331 1.00 0.00 N ATOM 1440 CA ARG A 103 5.485 8.840 -5.844 1.00 0.00 C ATOM 1441 C ARG A 103 4.418 7.810 -6.203 1.00 0.00 C ATOM 1442 O ARG A 103 3.824 7.853 -7.280 1.00 0.00 O ATOM 1443 CB ARG A 103 5.825 9.710 -7.057 1.00 0.00 C ATOM 1444 CG ARG A 103 5.210 11.099 -6.999 1.00 0.00 C ATOM 1445 CD ARG A 103 6.064 12.058 -6.181 1.00 0.00 C ATOM 1446 NE ARG A 103 7.464 12.045 -6.603 1.00 0.00 N ATOM 1447 CZ ARG A 103 7.988 12.898 -7.480 1.00 0.00 C ATOM 1448 NH1 ARG A 103 7.239 13.851 -8.019 1.00 0.00 N ATOM 1449 NH2 ARG A 103 9.270 12.799 -7.812 1.00 0.00 N ATOM 0 H ARG A 103 6.980 8.504 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 103 5.091 9.489 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.908 9.804 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.483 9.207 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.093 11.488 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.213 11.038 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.666 13.068 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.001 11.789 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 103 8.078 11.337 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.255 13.933 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.647 14.502 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.850 12.071 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.675 13.451 -8.484 1.00 0.00 H new ATOM 1463 N LEU A 104 4.250 6.834 -5.325 1.00 0.00 N ATOM 1464 CA LEU A 104 3.334 5.732 -5.567 1.00 0.00 C ATOM 1465 C LEU A 104 2.120 5.833 -4.648 1.00 0.00 C ATOM 1466 O LEU A 104 1.182 5.042 -4.747 1.00 0.00 O ATOM 1467 CB LEU A 104 4.062 4.399 -5.343 1.00 0.00 C ATOM 1468 CG LEU A 104 3.591 3.213 -6.197 1.00 0.00 C ATOM 1469 CD1 LEU A 104 2.689 2.298 -5.387 1.00 0.00 C ATOM 1470 CD2 LEU A 104 2.881 3.685 -7.459 1.00 0.00 C ATOM 0 H LEU A 104 4.740 6.783 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 104 2.986 5.781 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.125 4.554 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.960 4.126 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 104 4.473 2.651 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.365 1.463 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.237 1.917 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.817 2.856 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.560 2.821 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.011 4.281 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.563 4.291 -8.055 1.00 0.00 H new ATOM 1482 N ILE A 105 2.155 6.785 -3.730 1.00 0.00 N ATOM 1483 CA ILE A 105 1.079 6.935 -2.768 1.00 0.00 C ATOM 1484 C ILE A 105 -0.068 7.766 -3.337 1.00 0.00 C ATOM 1485 O ILE A 105 0.080 8.963 -3.588 1.00 0.00 O ATOM 1486 CB ILE A 105 1.587 7.569 -1.442 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.161 6.485 -0.526 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.477 8.330 -0.724 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.660 7.010 0.805 1.00 0.00 C ATOM 0 H ILE A 105 2.912 7.461 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 105 0.705 5.934 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 105 2.372 8.282 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.394 5.732 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.982 5.986 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.868 8.760 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.108 9.128 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.339 7.647 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.052 6.184 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.450 7.741 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.837 7.484 1.341 1.00 0.00 H new ATOM 1500 N THR A 106 -1.246 7.164 -3.356 1.00 0.00 N ATOM 1501 CA THR A 106 -2.468 7.902 -3.609 1.00 0.00 C ATOM 1502 C THR A 106 -3.054 8.290 -2.259 1.00 0.00 C ATOM 1503 O THR A 106 -3.256 7.423 -1.404 1.00 0.00 O ATOM 1504 CB THR A 106 -3.484 7.074 -4.413 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.792 6.097 -5.205 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.326 7.965 -5.315 1.00 0.00 C ATOM 0 H THR A 106 -1.380 6.165 -3.199 1.00 0.00 H new ATOM 0 HA THR A 106 -2.242 8.784 -4.208 1.00 0.00 H new ATOM 0 HB THR A 106 -4.150 6.573 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.476 5.371 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.036 7.353 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.869 8.688 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.677 8.493 -6.013 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.970 9.572 -1.960 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.148 10.046 -0.596 1.00 0.00 C ATOM 1516 C ARG A 107 -4.564 9.955 -0.079 1.00 0.00 C ATOM 1517 O ARG A 107 -5.530 9.744 -0.813 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.603 11.476 -0.457 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.662 12.567 -0.532 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.926 12.999 -1.964 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.843 14.133 -2.022 1.00 0.00 N ATOM 1522 CZ ARG A 107 -6.171 14.022 -1.977 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -6.744 12.825 -1.919 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -6.928 15.113 -1.990 1.00 0.00 N ATOM 0 H ARG A 107 -2.780 10.306 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.573 9.367 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.080 11.561 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.866 11.648 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.588 12.206 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.339 13.428 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.984 13.267 -2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.344 12.163 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.443 15.068 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.168 11.984 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.760 12.747 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.493 16.035 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.944 15.029 -1.956 1.00 0.00 H new ATOM 1538 N LEU A 108 -4.603 10.054 1.235 1.00 0.00 N ATOM 1539 CA LEU A 108 -5.788 9.947 2.051 1.00 0.00 C ATOM 1540 C LEU A 108 -6.798 11.053 1.776 1.00 0.00 C ATOM 1541 O LEU A 108 -6.896 11.564 0.662 1.00 0.00 O ATOM 1542 CB LEU A 108 -5.435 9.885 3.549 1.00 0.00 C ATOM 1543 CG LEU A 108 -4.177 10.642 4.027 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -2.908 9.866 3.705 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -4.109 12.050 3.447 1.00 0.00 C ATOM 0 H LEU A 108 -3.762 10.220 1.788 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.266 9.008 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.288 10.267 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.318 8.836 3.822 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.254 10.734 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.041 10.426 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.938 8.896 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.835 9.719 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.209 12.549 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.082 11.994 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.987 12.615 3.759 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.715 11.182 2.713 1.00 0.00 N ATOM 1558 CA GLU A 109 -8.926 11.951 2.544 1.00 0.00 C ATOM 1559 C GLU A 109 -8.688 13.377 2.067 1.00 0.00 C ATOM 1560 O GLU A 109 -7.637 13.983 2.289 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.642 12.012 3.887 1.00 0.00 C ATOM 1562 CG GLU A 109 -9.076 13.061 4.840 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.831 12.606 5.587 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.407 11.447 5.413 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.278 13.409 6.367 1.00 0.00 O ATOM 0 H GLU A 109 -7.635 10.745 3.631 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.515 11.452 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.698 12.222 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.585 11.033 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.839 13.962 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.844 13.332 5.564 1.00 0.00 H new ATOM 1572 N ASN A 110 -9.740 13.919 1.479 1.00 0.00 N ATOM 1573 CA ASN A 110 -9.770 15.304 1.021 1.00 0.00 C ATOM 1574 C ASN A 110 -9.591 16.261 2.195 1.00 0.00 C ATOM 1575 O ASN A 110 -9.107 17.383 2.041 1.00 0.00 O ATOM 1576 CB ASN A 110 -11.105 15.589 0.337 1.00 0.00 C ATOM 1577 CG ASN A 110 -10.949 15.925 -1.133 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -10.411 16.976 -1.489 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -11.408 15.033 -1.994 1.00 0.00 N ATOM 0 H ASN A 110 -10.606 13.410 1.303 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.953 15.454 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.754 14.720 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.599 16.418 0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.324 15.201 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.846 14.176 -1.656 1.00 0.00 H new ATOM 1586 N THR A 111 -9.986 15.794 3.369 1.00 0.00 N ATOM 1587 CA THR A 111 -9.918 16.574 4.594 1.00 0.00 C ATOM 1588 C THR A 111 -8.473 16.753 5.085 1.00 0.00 C ATOM 1589 O THR A 111 -8.227 17.420 6.090 1.00 0.00 O ATOM 1590 CB THR A 111 -10.775 15.897 5.678 1.00 0.00 C ATOM 1591 OG1 THR A 111 -11.927 15.305 5.057 1.00 0.00 O ATOM 1592 CG2 THR A 111 -11.225 16.892 6.736 1.00 0.00 C ATOM 0 H THR A 111 -10.365 14.856 3.499 1.00 0.00 H new ATOM 0 HA THR A 111 -10.308 17.570 4.384 1.00 0.00 H new ATOM 0 HB THR A 111 -10.171 15.135 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 111 -12.521 16.012 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.828 16.379 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 111 -10.351 17.335 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 111 -11.819 17.677 6.268 1.00 0.00 H new ATOM 1600 N GLN A 112 -7.511 16.243 4.321 1.00 0.00 N ATOM 1601 CA GLN A 112 -6.102 16.454 4.635 1.00 0.00 C ATOM 1602 C GLN A 112 -5.699 17.886 4.285 1.00 0.00 C ATOM 1603 O GLN A 112 -4.726 18.421 4.817 1.00 0.00 O ATOM 1604 CB GLN A 112 -5.221 15.447 3.885 1.00 0.00 C ATOM 1605 CG GLN A 112 -4.910 15.835 2.446 1.00 0.00 C ATOM 1606 CD GLN A 112 -3.445 15.658 2.080 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -3.042 15.919 0.948 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -2.634 15.221 3.030 1.00 0.00 N ATOM 0 H GLN A 112 -7.680 15.684 3.485 1.00 0.00 H new ATOM 0 HA GLN A 112 -5.956 16.298 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.283 15.328 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.716 14.476 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.521 15.232 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -5.194 16.875 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.001 15.014 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.642 15.091 2.834 1.00 0.00 H new ATOM 1617 N PHE A 113 -6.500 18.518 3.435 1.00 0.00 N ATOM 1618 CA PHE A 113 -6.288 19.909 3.067 1.00 0.00 C ATOM 1619 C PHE A 113 -7.031 20.816 4.039 1.00 0.00 C ATOM 1620 O PHE A 113 -6.451 21.316 5.003 1.00 0.00 O ATOM 1621 CB PHE A 113 -6.769 20.158 1.634 1.00 0.00 C ATOM 1622 CG PHE A 113 -5.672 20.536 0.684 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -4.531 19.758 0.576 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -5.782 21.671 -0.102 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -3.521 20.104 -0.299 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -4.775 22.023 -0.981 1.00 0.00 C ATOM 1627 CZ PHE A 113 -3.643 21.237 -1.079 1.00 0.00 C ATOM 0 H PHE A 113 -7.307 18.084 2.986 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.222 20.132 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.263 19.259 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.517 20.951 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.430 18.871 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.665 22.288 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.636 19.489 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.873 22.910 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.854 21.508 -1.765 1.00 0.00 H new ATOM 1637 N ASP A 114 -8.341 20.899 3.862 1.00 0.00 N ATOM 1638 CA ASP A 114 -9.200 21.614 4.796 1.00 0.00 C ATOM 1639 C ASP A 114 -10.154 20.633 5.453 1.00 0.00 C ATOM 1640 O ASP A 114 -10.284 19.499 4.993 1.00 0.00 O ATOM 1641 CB ASP A 114 -9.985 22.716 4.081 1.00 0.00 C ATOM 1642 CG ASP A 114 -10.217 23.925 4.964 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -10.821 23.772 6.045 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -9.786 25.036 4.586 1.00 0.00 O ATOM 0 H ASP A 114 -8.835 20.478 3.076 1.00 0.00 H new ATOM 0 HA ASP A 114 -8.578 22.084 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.444 23.022 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.946 22.319 3.753 1.00 0.00 H new ATOM 1649 N ALA A 115 -10.856 21.077 6.485 1.00 0.00 N ATOM 1650 CA ALA A 115 -11.805 20.224 7.192 1.00 0.00 C ATOM 1651 C ALA A 115 -13.137 20.133 6.447 1.00 0.00 C ATOM 1652 O ALA A 115 -14.209 20.305 7.031 1.00 0.00 O ATOM 1653 CB ALA A 115 -12.019 20.729 8.610 1.00 0.00 C ATOM 0 H ALA A 115 -10.787 22.026 6.854 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.382 19.220 7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -12.730 20.081 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.070 20.723 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -12.411 21.745 8.579 1.00 0.00 H new ATOM 1659 N ALA A 116 -13.057 19.814 5.167 1.00 0.00 N ATOM 1660 CA ALA A 116 -14.240 19.626 4.345 1.00 0.00 C ATOM 1661 C ALA A 116 -14.532 18.143 4.154 1.00 0.00 C ATOM 1662 O ALA A 116 -13.611 17.317 4.118 1.00 0.00 O ATOM 1663 CB ALA A 116 -14.059 20.306 2.999 1.00 0.00 C ATOM 0 H ALA A 116 -12.176 19.679 4.671 1.00 0.00 H new ATOM 0 HA ALA A 116 -15.089 20.080 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.953 20.157 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.896 21.373 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.198 19.876 2.487 1.00 0.00 H new ATOM 1669 N ASN A 117 -15.800 17.818 3.962 1.00 0.00 N ATOM 1670 CA ASN A 117 -16.193 16.448 3.672 1.00 0.00 C ATOM 1671 C ASN A 117 -16.102 16.200 2.176 1.00 0.00 C ATOM 1672 O ASN A 117 -16.789 16.850 1.386 1.00 0.00 O ATOM 1673 CB ASN A 117 -17.613 16.160 4.166 1.00 0.00 C ATOM 1674 CG ASN A 117 -17.971 14.687 4.060 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -18.960 14.320 3.428 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -17.165 13.831 4.674 1.00 0.00 N ATOM 0 H ASN A 117 -16.573 18.482 4.001 1.00 0.00 H new ATOM 0 HA ASN A 117 -15.514 15.777 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -17.707 16.481 5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -18.324 16.747 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -17.356 12.830 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -16.354 14.174 5.189 1.00 0.00 H new ATOM 1683 N GLY A 118 -15.174 15.339 1.791 1.00 0.00 N ATOM 1684 CA GLY A 118 -14.932 15.088 0.388 1.00 0.00 C ATOM 1685 C GLY A 118 -16.076 14.358 -0.284 1.00 0.00 C ATOM 1686 O GLY A 118 -16.634 13.411 0.272 1.00 0.00 O ATOM 0 H GLY A 118 -14.582 14.807 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.763 16.036 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.020 14.501 0.281 1.00 0.00 H new ATOM 1690 N ILE A 119 -16.429 14.805 -1.476 1.00 0.00 N ATOM 1691 CA ILE A 119 -17.498 14.180 -2.245 1.00 0.00 C ATOM 1692 C ILE A 119 -16.963 13.600 -3.555 1.00 0.00 C ATOM 1693 O ILE A 119 -17.617 12.773 -4.191 1.00 0.00 O ATOM 1694 CB ILE A 119 -18.637 15.175 -2.557 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -18.070 16.524 -3.008 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -19.532 15.353 -1.340 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -18.381 16.858 -4.449 1.00 0.00 C ATOM 0 H ILE A 119 -15.990 15.602 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.899 13.375 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 119 -19.235 14.768 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -18.470 17.310 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.989 16.519 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -20.330 16.057 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -19.966 14.392 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.942 15.738 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -17.949 17.827 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -17.957 16.093 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -19.461 16.896 -4.589 1.00 0.00 H new ATOM 1708 N ASP A 120 -15.772 14.034 -3.953 1.00 0.00 N ATOM 1709 CA ASP A 120 -15.142 13.543 -5.174 1.00 0.00 C ATOM 1710 C ASP A 120 -14.572 12.146 -4.947 1.00 0.00 C ATOM 1711 O ASP A 120 -14.647 11.278 -5.817 1.00 0.00 O ATOM 1712 CB ASP A 120 -14.040 14.509 -5.624 1.00 0.00 C ATOM 1713 CG ASP A 120 -12.965 13.839 -6.456 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -13.278 13.343 -7.557 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -11.797 13.828 -6.018 1.00 0.00 O ATOM 0 H ASP A 120 -15.222 14.727 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 120 -15.894 13.485 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -14.488 15.317 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.581 14.962 -4.745 1.00 0.00 H new ATOM 1720 N ASP A 121 -14.145 11.897 -3.720 1.00 0.00 N ATOM 1721 CA ASP A 121 -13.701 10.569 -3.319 1.00 0.00 C ATOM 1722 C ASP A 121 -14.908 9.707 -2.976 1.00 0.00 C ATOM 1723 O ASP A 121 -15.999 10.226 -2.728 1.00 0.00 O ATOM 1724 CB ASP A 121 -12.747 10.646 -2.117 1.00 0.00 C ATOM 1725 CG ASP A 121 -13.014 11.841 -1.218 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -14.182 12.055 -0.841 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -12.056 12.574 -0.890 1.00 0.00 O ATOM 0 H ASP A 121 -14.096 12.598 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 121 -13.159 10.119 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -12.836 9.731 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -11.720 10.694 -2.479 1.00 0.00 H new ATOM 1732 N GLU A 122 -14.727 8.397 -2.982 1.00 0.00 N ATOM 1733 CA GLU A 122 -15.821 7.485 -2.688 1.00 0.00 C ATOM 1734 C GLU A 122 -15.779 7.053 -1.230 1.00 0.00 C ATOM 1735 O GLU A 122 -16.701 7.428 -0.473 1.00 0.00 O ATOM 1736 CB GLU A 122 -15.767 6.256 -3.600 1.00 0.00 C ATOM 1737 CG GLU A 122 -15.245 6.545 -4.997 1.00 0.00 C ATOM 1738 CD GLU A 122 -13.923 5.861 -5.271 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -13.629 4.840 -4.613 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -13.172 6.340 -6.144 1.00 0.00 O ATOM 1741 OXT GLU A 122 -14.820 6.357 -0.842 1.00 0.00 O ATOM 0 H GLU A 122 -13.837 7.942 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.757 8.012 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.134 5.500 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -16.767 5.830 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -15.980 6.217 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -15.127 7.621 -5.123 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -5.306 -1.944 7.008 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 12.551 3.238 6.915 1.00 0.00 ZN