USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1106 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 SER OG : rot 180:sc= 0.982 USER MOD Set 1.2: A 124 THR OG1 : rot -123:sc= 1.19 USER MOD Set 2.1: A 95 CYS SG : rot -177:sc= -2.2 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.7 K(o=-3.9,f=-5.5!) USER MOD Set 3.1: A 75 THR OG1 : rot 131:sc= 1.18 USER MOD Set 3.2: A 81 CYS SG : rot 180:sc= -2.38 USER MOD Set 4.1: A 56 THR OG1 : rot 74:sc= 0.622 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= -0.476 USER MOD Set 5.1: A 53 LYS NZ :NH3+ 178:sc= -0.103 (180deg=-0.111) USER MOD Set 5.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 60 THR OG1 : rot 90:sc= -3.1 USER MOD Set 6.1: A 2 ASN : amide:sc= 0 K(o=-2.5,f=-3.3) USER MOD Set 6.2: A 91 ASN : amide:sc= -2.46 K(o=-2.5,f=-11!) USER MOD Single : A 4 SER OG : rot -8:sc= 0.626! USER MOD Single : A 6 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -170:sc= -1.09 USER MOD Single : A 14 ASN : amide:sc= -0.601 X(o=-0.6,f=-0.55) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 27 MET CE :methyl 156:sc= -0.851 (180deg=-2.16!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 64 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.00028) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.176) USER MOD Single : A 74 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.258) USER MOD Single : A 83 SER OG : rot 132:sc= 0.377 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -0.0222 (180deg=-0.0222) USER MOD Single : A 89 SER OG : rot 180:sc= -0.151 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= -0.0143 (180deg=-0.502) USER MOD Single : A 93 MET CE :methyl 175:sc= -5.11! (180deg=-5.26!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 110 THR OG1 : rot 42:sc= 0.74! USER MOD Single : A 114 THR OG1 : rot 106:sc= 0.456 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 122 THR OG1 : rot 180:sc= -3.99! USER MOD Single : A 123 MET CE :methyl -168:sc= -0.0325 (180deg=-0.34) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 134 TYR OH : rot 180:sc= -0.911 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.411 -1.723 10.551 1.00 0.00 N ATOM 2 CA PRO A 1 -14.004 -1.588 10.042 1.00 0.00 C ATOM 3 C PRO A 1 -13.789 -0.226 9.357 1.00 0.00 C ATOM 4 O PRO A 1 -12.685 0.273 9.333 1.00 0.00 O ATOM 5 CB PRO A 1 -13.755 -2.706 9.026 1.00 0.00 C ATOM 6 CG PRO A 1 -15.051 -3.502 8.908 1.00 0.00 C ATOM 7 CD PRO A 1 -16.101 -2.786 9.759 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.907 -0.836 10.462 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.408 -1.965 11.542 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.312 -1.658 10.881 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.468 -2.291 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.937 -3.348 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.373 -3.560 7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.907 -4.525 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.871 -2.348 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.599 -3.493 10.423 1.00 0.00 H new ATOM 17 N ASN A 2 -14.821 0.357 8.771 1.00 0.00 N ATOM 18 CA ASN A 2 -14.663 1.669 8.059 1.00 0.00 C ATOM 19 C ASN A 2 -13.919 1.417 6.743 1.00 0.00 C ATOM 20 O ASN A 2 -14.169 0.420 6.103 1.00 0.00 O ATOM 21 CB ASN A 2 -13.968 2.700 8.972 1.00 0.00 C ATOM 22 CG ASN A 2 -14.791 2.882 10.248 1.00 0.00 C ATOM 23 OD1 ASN A 2 -14.609 2.162 11.210 1.00 0.00 O ATOM 24 ND2 ASN A 2 -15.697 3.820 10.298 1.00 0.00 N ATOM 0 H ASN A 2 -15.767 -0.025 8.758 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.634 2.101 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -12.961 2.363 9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.866 3.653 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -16.252 3.949 11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -15.850 4.425 9.491 1.00 0.00 H new ATOM 31 N PHE A 3 -13.040 2.298 6.333 1.00 0.00 N ATOM 32 CA PHE A 3 -12.274 2.150 5.038 1.00 0.00 C ATOM 33 C PHE A 3 -13.124 2.614 3.838 1.00 0.00 C ATOM 34 O PHE A 3 -12.644 3.330 2.980 1.00 0.00 O ATOM 35 CB PHE A 3 -11.820 0.705 4.763 1.00 0.00 C ATOM 36 CG PHE A 3 -10.881 0.204 5.835 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.384 -0.364 7.013 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.498 0.261 5.627 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.522 -0.873 7.967 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.630 -0.243 6.597 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.147 -0.820 7.772 1.00 0.00 C ATOM 0 H PHE A 3 -12.809 3.144 6.854 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.389 2.776 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.692 0.053 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.325 0.657 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.451 -0.404 7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.104 0.693 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.920 -1.314 8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.562 -0.190 6.446 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.478 -1.220 8.519 1.00 0.00 H new ATOM 51 N SER A 4 -14.368 2.192 3.749 1.00 0.00 N ATOM 52 CA SER A 4 -15.236 2.580 2.590 1.00 0.00 C ATOM 53 C SER A 4 -15.203 4.099 2.360 1.00 0.00 C ATOM 54 O SER A 4 -15.527 4.871 3.243 1.00 0.00 O ATOM 55 CB SER A 4 -16.679 2.145 2.876 1.00 0.00 C ATOM 56 OG SER A 4 -17.322 3.112 3.701 1.00 0.00 O ATOM 0 H SER A 4 -14.820 1.590 4.437 1.00 0.00 H new ATOM 0 HA SER A 4 -14.860 2.086 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.226 2.031 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.684 1.173 3.369 1.00 0.00 H new ATOM 0 HG SER A 4 -16.665 3.775 4.001 1.00 0.00 H new ATOM 62 N GLY A 5 -14.828 4.529 1.179 1.00 0.00 N ATOM 63 CA GLY A 5 -14.791 5.993 0.894 1.00 0.00 C ATOM 64 C GLY A 5 -13.577 6.328 0.043 1.00 0.00 C ATOM 65 O GLY A 5 -12.566 5.653 0.083 1.00 0.00 O ATOM 0 H GLY A 5 -14.547 3.929 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.702 6.294 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.756 6.553 1.829 1.00 0.00 H new ATOM 69 N ASN A 6 -13.667 7.392 -0.698 1.00 0.00 N ATOM 70 CA ASN A 6 -12.519 7.827 -1.533 1.00 0.00 C ATOM 71 C ASN A 6 -11.515 8.455 -0.589 1.00 0.00 C ATOM 72 O ASN A 6 -11.884 8.886 0.490 1.00 0.00 O ATOM 73 CB ASN A 6 -12.981 8.852 -2.573 1.00 0.00 C ATOM 74 CG ASN A 6 -11.826 9.169 -3.525 1.00 0.00 C ATOM 75 OD1 ASN A 6 -10.890 9.851 -3.157 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.852 8.701 -4.743 1.00 0.00 N ATOM 0 H ASN A 6 -14.495 7.985 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.081 6.986 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.831 8.461 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.318 9.762 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.087 8.908 -5.385 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.637 8.128 -5.053 1.00 0.00 H new ATOM 83 N TRP A 7 -10.255 8.477 -0.935 1.00 0.00 N ATOM 84 CA TRP A 7 -9.265 9.044 0.023 1.00 0.00 C ATOM 85 C TRP A 7 -8.340 10.060 -0.623 1.00 0.00 C ATOM 86 O TRP A 7 -7.734 9.813 -1.645 1.00 0.00 O ATOM 87 CB TRP A 7 -8.445 7.899 0.582 1.00 0.00 C ATOM 88 CG TRP A 7 -9.352 6.967 1.294 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.852 5.822 0.791 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.898 7.109 2.623 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.637 5.222 1.757 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.702 5.987 2.907 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.756 8.096 3.601 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.348 5.849 4.136 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.408 7.979 4.828 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.205 6.855 5.103 1.00 0.00 C ATOM 0 H TRP A 7 -9.876 8.135 -1.818 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.810 9.568 0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.925 7.379 -0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.682 8.278 1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.670 5.437 -0.202 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -11.110 4.326 1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.135 8.958 3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.952 4.977 4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.300 8.756 5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.706 6.766 6.056 1.00 0.00 H new ATOM 107 N LYS A 8 -8.216 11.202 -0.003 1.00 0.00 N ATOM 108 CA LYS A 8 -7.309 12.249 -0.534 1.00 0.00 C ATOM 109 C LYS A 8 -5.944 12.046 0.123 1.00 0.00 C ATOM 110 O LYS A 8 -5.856 11.514 1.217 1.00 0.00 O ATOM 111 CB LYS A 8 -7.831 13.661 -0.195 1.00 0.00 C ATOM 112 CG LYS A 8 -9.374 13.696 -0.144 1.00 0.00 C ATOM 113 CD LYS A 8 -9.840 13.947 1.296 1.00 0.00 C ATOM 114 CE LYS A 8 -10.309 15.397 1.446 1.00 0.00 C ATOM 115 NZ LYS A 8 -9.912 15.910 2.787 1.00 0.00 N ATOM 0 H LYS A 8 -8.709 11.452 0.854 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.248 12.167 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.427 13.979 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.474 14.371 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.751 14.480 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.781 12.753 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.652 13.265 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.025 13.745 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.870 16.016 0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.391 15.455 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.230 16.895 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.351 15.325 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.877 15.869 2.882 1.00 0.00 H new ATOM 129 N ILE A 9 -4.881 12.446 -0.527 1.00 0.00 N ATOM 130 CA ILE A 9 -3.526 12.255 0.069 1.00 0.00 C ATOM 131 C ILE A 9 -3.326 13.254 1.220 1.00 0.00 C ATOM 132 O ILE A 9 -3.748 14.392 1.158 1.00 0.00 O ATOM 133 CB ILE A 9 -2.454 12.396 -1.047 1.00 0.00 C ATOM 134 CG1 ILE A 9 -1.358 11.341 -0.838 1.00 0.00 C ATOM 135 CG2 ILE A 9 -1.817 13.798 -1.078 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.645 11.566 0.499 1.00 0.00 C ATOM 0 H ILE A 9 -4.893 12.896 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.425 11.256 0.493 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.955 12.244 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.796 10.343 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.637 11.390 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.075 13.843 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.590 14.545 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.334 14.000 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.129 10.809 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.189 12.556 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.366 11.493 1.313 1.00 0.00 H new ATOM 148 N ILE A 10 -2.679 12.814 2.258 1.00 0.00 N ATOM 149 CA ILE A 10 -2.428 13.678 3.434 1.00 0.00 C ATOM 150 C ILE A 10 -1.137 13.183 4.107 1.00 0.00 C ATOM 151 O ILE A 10 -1.066 12.075 4.599 1.00 0.00 O ATOM 152 CB ILE A 10 -3.651 13.583 4.374 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.790 14.448 3.805 1.00 0.00 C ATOM 154 CG2 ILE A 10 -3.320 14.071 5.791 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.779 13.574 3.027 1.00 0.00 C ATOM 0 H ILE A 10 -2.306 11.868 2.340 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.297 14.725 3.161 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.948 12.536 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.307 14.961 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.380 15.217 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.206 13.988 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.520 13.460 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.999 15.112 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.580 14.197 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.260 13.081 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.201 12.821 3.693 1.00 0.00 H new ATOM 167 N ARG A 11 -0.119 14.001 4.096 1.00 0.00 N ATOM 168 CA ARG A 11 1.198 13.624 4.701 1.00 0.00 C ATOM 169 C ARG A 11 1.807 12.447 3.935 1.00 0.00 C ATOM 170 O ARG A 11 1.180 11.422 3.747 1.00 0.00 O ATOM 171 CB ARG A 11 1.021 13.255 6.181 1.00 0.00 C ATOM 172 CG ARG A 11 1.016 14.533 7.025 1.00 0.00 C ATOM 173 CD ARG A 11 -0.195 15.388 6.646 1.00 0.00 C ATOM 174 NE ARG A 11 -0.466 16.379 7.726 1.00 0.00 N ATOM 175 CZ ARG A 11 -1.606 17.014 7.756 1.00 0.00 C ATOM 176 NH1 ARG A 11 -1.878 17.911 6.848 1.00 0.00 N ATOM 177 NH2 ARG A 11 -2.475 16.751 8.694 1.00 0.00 N ATOM 0 H ARG A 11 -0.143 14.934 3.685 1.00 0.00 H new ATOM 0 HA ARG A 11 1.871 14.479 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.088 12.709 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.828 12.597 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.980 14.282 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.936 15.094 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.008 15.904 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.068 14.753 6.494 1.00 0.00 H new ATOM 0 HE ARG A 11 0.239 16.561 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.200 18.116 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.769 18.407 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.263 16.049 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.366 17.247 8.718 1.00 0.00 H new ATOM 191 N SER A 12 3.029 12.600 3.486 1.00 0.00 N ATOM 192 CA SER A 12 3.698 11.508 2.720 1.00 0.00 C ATOM 193 C SER A 12 5.196 11.803 2.608 1.00 0.00 C ATOM 194 O SER A 12 5.637 12.463 1.686 1.00 0.00 O ATOM 195 CB SER A 12 3.097 11.439 1.316 1.00 0.00 C ATOM 196 OG SER A 12 3.175 10.104 0.834 1.00 0.00 O ATOM 0 H SER A 12 3.593 13.440 3.619 1.00 0.00 H new ATOM 0 HA SER A 12 3.550 10.559 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.059 11.770 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.633 12.111 0.646 1.00 0.00 H new ATOM 0 HG SER A 12 2.939 10.085 -0.117 1.00 0.00 H new ATOM 202 N GLU A 13 5.979 11.315 3.536 1.00 0.00 N ATOM 203 CA GLU A 13 7.451 11.558 3.483 1.00 0.00 C ATOM 204 C GLU A 13 8.186 10.235 3.707 1.00 0.00 C ATOM 205 O GLU A 13 8.909 10.063 4.672 1.00 0.00 O ATOM 206 CB GLU A 13 7.844 12.565 4.569 1.00 0.00 C ATOM 207 CG GLU A 13 9.088 13.336 4.123 1.00 0.00 C ATOM 208 CD GLU A 13 9.262 14.576 5.002 1.00 0.00 C ATOM 209 OE1 GLU A 13 9.345 14.416 6.209 1.00 0.00 O ATOM 210 OE2 GLU A 13 9.311 15.665 4.453 1.00 0.00 O ATOM 0 H GLU A 13 5.661 10.758 4.329 1.00 0.00 H new ATOM 0 HA GLU A 13 7.724 11.963 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.022 13.256 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.041 12.046 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.969 12.699 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.992 13.629 3.077 1.00 0.00 H new ATOM 217 N ASN A 14 7.986 9.294 2.823 1.00 0.00 N ATOM 218 CA ASN A 14 8.649 7.964 2.973 1.00 0.00 C ATOM 219 C ASN A 14 9.378 7.555 1.682 1.00 0.00 C ATOM 220 O ASN A 14 10.227 6.690 1.711 1.00 0.00 O ATOM 221 CB ASN A 14 7.589 6.913 3.298 1.00 0.00 C ATOM 222 CG ASN A 14 7.446 6.780 4.815 1.00 0.00 C ATOM 223 OD1 ASN A 14 7.983 5.866 5.409 1.00 0.00 O ATOM 224 ND2 ASN A 14 6.739 7.658 5.472 1.00 0.00 N ATOM 0 H ASN A 14 7.390 9.389 2.001 1.00 0.00 H new ATOM 0 HA ASN A 14 9.382 8.034 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.634 7.197 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.869 5.953 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.637 7.577 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.288 8.425 4.974 1.00 0.00 H new ATOM 231 N PHE A 15 9.045 8.149 0.551 1.00 0.00 N ATOM 232 CA PHE A 15 9.703 7.771 -0.751 1.00 0.00 C ATOM 233 C PHE A 15 11.227 7.690 -0.614 1.00 0.00 C ATOM 234 O PHE A 15 11.833 6.723 -1.031 1.00 0.00 O ATOM 235 CB PHE A 15 9.353 8.805 -1.827 1.00 0.00 C ATOM 236 CG PHE A 15 9.578 8.206 -3.201 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.874 7.892 -3.631 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.489 7.964 -4.047 1.00 0.00 C ATOM 239 CE1 PHE A 15 11.078 7.337 -4.901 1.00 0.00 C ATOM 240 CE2 PHE A 15 8.695 7.408 -5.316 1.00 0.00 C ATOM 241 CZ PHE A 15 9.989 7.095 -5.742 1.00 0.00 C ATOM 0 H PHE A 15 8.341 8.884 0.475 1.00 0.00 H new ATOM 0 HA PHE A 15 9.331 6.786 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.314 9.117 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.968 9.696 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.717 8.078 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.488 8.206 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.078 7.096 -5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.853 7.221 -5.966 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.147 6.666 -6.721 1.00 0.00 H new ATOM 251 N GLU A 16 11.852 8.683 -0.048 1.00 0.00 N ATOM 252 CA GLU A 16 13.336 8.633 0.090 1.00 0.00 C ATOM 253 C GLU A 16 13.702 7.584 1.128 1.00 0.00 C ATOM 254 O GLU A 16 14.699 6.899 0.997 1.00 0.00 O ATOM 255 CB GLU A 16 13.881 10.004 0.501 1.00 0.00 C ATOM 256 CG GLU A 16 13.213 10.466 1.802 1.00 0.00 C ATOM 257 CD GLU A 16 14.161 10.231 2.982 1.00 0.00 C ATOM 258 OE1 GLU A 16 14.999 11.085 3.221 1.00 0.00 O ATOM 259 OE2 GLU A 16 14.031 9.203 3.625 1.00 0.00 O ATOM 0 H GLU A 16 11.405 9.522 0.323 1.00 0.00 H new ATOM 0 HA GLU A 16 13.781 8.366 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.961 9.949 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.696 10.730 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.956 11.523 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.282 9.921 1.957 1.00 0.00 H new ATOM 266 N GLU A 17 12.886 7.419 2.136 1.00 0.00 N ATOM 267 CA GLU A 17 13.168 6.371 3.157 1.00 0.00 C ATOM 268 C GLU A 17 13.155 4.999 2.462 1.00 0.00 C ATOM 269 O GLU A 17 13.720 4.043 2.950 1.00 0.00 O ATOM 270 CB GLU A 17 12.087 6.411 4.240 1.00 0.00 C ATOM 271 CG GLU A 17 12.717 6.134 5.606 1.00 0.00 C ATOM 272 CD GLU A 17 11.985 6.942 6.680 1.00 0.00 C ATOM 273 OE1 GLU A 17 11.997 8.159 6.589 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.425 6.331 7.575 1.00 0.00 O ATOM 0 H GLU A 17 12.039 7.964 2.295 1.00 0.00 H new ATOM 0 HA GLU A 17 14.140 6.546 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.599 7.386 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.317 5.670 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.661 5.070 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.774 6.401 5.592 1.00 0.00 H new ATOM 281 N LEU A 18 12.516 4.912 1.315 1.00 0.00 N ATOM 282 CA LEU A 18 12.456 3.632 0.566 1.00 0.00 C ATOM 283 C LEU A 18 13.787 3.376 -0.101 1.00 0.00 C ATOM 284 O LEU A 18 14.345 2.304 0.003 1.00 0.00 O ATOM 285 CB LEU A 18 11.387 3.713 -0.531 1.00 0.00 C ATOM 286 CG LEU A 18 10.114 4.438 -0.080 1.00 0.00 C ATOM 287 CD1 LEU A 18 9.011 4.120 -1.075 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.649 4.006 1.309 1.00 0.00 C ATOM 0 H LEU A 18 12.030 5.690 0.868 1.00 0.00 H new ATOM 0 HA LEU A 18 12.215 2.832 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.803 4.227 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.128 2.704 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 18 10.335 5.504 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.093 4.626 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.306 4.462 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.841 3.044 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.744 4.552 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.440 2.936 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.431 4.221 2.038 1.00 0.00 H new ATOM 300 N LEU A 19 14.296 4.351 -0.796 1.00 0.00 N ATOM 301 CA LEU A 19 15.596 4.157 -1.474 1.00 0.00 C ATOM 302 C LEU A 19 16.742 4.323 -0.461 1.00 0.00 C ATOM 303 O LEU A 19 17.899 4.131 -0.785 1.00 0.00 O ATOM 304 CB LEU A 19 15.749 5.168 -2.620 1.00 0.00 C ATOM 305 CG LEU A 19 14.510 5.189 -3.557 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.781 3.832 -3.606 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.533 6.275 -3.092 1.00 0.00 C ATOM 0 H LEU A 19 13.868 5.268 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 19 15.635 3.150 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.905 6.164 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.638 4.923 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 19 14.870 5.403 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.924 3.904 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.464 3.065 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.439 3.566 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.664 6.289 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.212 6.063 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.027 7.246 -3.123 1.00 0.00 H new ATOM 319 N LYS A 20 16.424 4.668 0.765 1.00 0.00 N ATOM 320 CA LYS A 20 17.464 4.839 1.809 1.00 0.00 C ATOM 321 C LYS A 20 17.559 3.562 2.651 1.00 0.00 C ATOM 322 O LYS A 20 18.568 3.290 3.273 1.00 0.00 O ATOM 323 CB LYS A 20 17.052 5.998 2.714 1.00 0.00 C ATOM 324 CG LYS A 20 17.669 7.293 2.194 1.00 0.00 C ATOM 325 CD LYS A 20 17.724 8.324 3.322 1.00 0.00 C ATOM 326 CE LYS A 20 18.858 9.315 3.054 1.00 0.00 C ATOM 327 NZ LYS A 20 18.356 10.423 2.193 1.00 0.00 N ATOM 0 H LYS A 20 15.470 4.839 1.083 1.00 0.00 H new ATOM 0 HA LYS A 20 18.429 5.040 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.966 6.085 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.381 5.810 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.672 7.102 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.080 7.680 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.774 8.853 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.882 7.825 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.236 9.714 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.690 8.808 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.127 11.097 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.015 10.034 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.576 10.912 2.676 1.00 0.00 H new ATOM 341 N VAL A 21 16.502 2.789 2.685 1.00 0.00 N ATOM 342 CA VAL A 21 16.497 1.543 3.489 1.00 0.00 C ATOM 343 C VAL A 21 16.808 0.346 2.597 1.00 0.00 C ATOM 344 O VAL A 21 17.458 -0.592 3.021 1.00 0.00 O ATOM 345 CB VAL A 21 15.127 1.373 4.143 1.00 0.00 C ATOM 346 CG1 VAL A 21 14.869 2.547 5.089 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.031 1.325 3.073 1.00 0.00 C ATOM 0 H VAL A 21 15.635 2.977 2.181 1.00 0.00 H new ATOM 0 HA VAL A 21 17.261 1.605 4.264 1.00 0.00 H new ATOM 0 HB VAL A 21 15.113 0.438 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.892 2.429 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.640 2.570 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.891 3.480 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.060 1.204 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.040 2.253 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.213 0.484 2.403 1.00 0.00 H new ATOM 357 N LEU A 22 16.392 0.381 1.350 1.00 0.00 N ATOM 358 CA LEU A 22 16.720 -0.749 0.430 1.00 0.00 C ATOM 359 C LEU A 22 18.247 -0.856 0.335 1.00 0.00 C ATOM 360 O LEU A 22 18.792 -1.890 -0.002 1.00 0.00 O ATOM 361 CB LEU A 22 16.099 -0.513 -0.969 1.00 0.00 C ATOM 362 CG LEU A 22 16.525 0.813 -1.609 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.998 0.788 -2.043 1.00 0.00 C ATOM 364 CD2 LEU A 22 15.655 1.011 -2.851 1.00 0.00 C ATOM 0 H LEU A 22 15.845 1.137 0.937 1.00 0.00 H new ATOM 0 HA LEU A 22 16.304 -1.679 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 22 16.384 -1.334 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.013 -0.534 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 22 16.405 1.618 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.261 1.746 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.630 0.609 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 22 18.149 -0.008 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.926 1.947 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.813 0.182 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.606 1.045 -2.558 1.00 0.00 H new ATOM 376 N GLY A 23 18.935 0.225 0.636 1.00 0.00 N ATOM 377 CA GLY A 23 20.409 0.224 0.575 1.00 0.00 C ATOM 378 C GLY A 23 20.877 1.441 -0.203 1.00 0.00 C ATOM 379 O GLY A 23 21.198 1.351 -1.372 1.00 0.00 O ATOM 0 H GLY A 23 18.519 1.111 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.827 0.238 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.765 -0.688 0.095 1.00 0.00 H new ATOM 383 N VAL A 24 20.909 2.583 0.438 1.00 0.00 N ATOM 384 CA VAL A 24 21.353 3.835 -0.254 1.00 0.00 C ATOM 385 C VAL A 24 22.683 3.585 -0.999 1.00 0.00 C ATOM 386 O VAL A 24 23.549 2.870 -0.532 1.00 0.00 O ATOM 387 CB VAL A 24 21.462 4.978 0.800 1.00 0.00 C ATOM 388 CG1 VAL A 24 22.912 5.446 1.034 1.00 0.00 C ATOM 389 CG2 VAL A 24 20.636 6.179 0.327 1.00 0.00 C ATOM 0 H VAL A 24 20.645 2.704 1.416 1.00 0.00 H new ATOM 0 HA VAL A 24 20.625 4.138 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 24 21.087 4.578 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 24 22.922 6.243 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.511 4.609 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.330 5.818 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 24 20.708 6.982 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.018 6.528 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.593 5.882 0.216 1.00 0.00 H new ATOM 399 N ASN A 25 22.820 4.171 -2.150 1.00 0.00 N ATOM 400 CA ASN A 25 24.055 3.994 -2.964 1.00 0.00 C ATOM 401 C ASN A 25 23.860 4.803 -4.235 1.00 0.00 C ATOM 402 O ASN A 25 23.628 4.264 -5.297 1.00 0.00 O ATOM 403 CB ASN A 25 24.253 2.512 -3.308 1.00 0.00 C ATOM 404 CG ASN A 25 25.748 2.214 -3.441 1.00 0.00 C ATOM 405 OD1 ASN A 25 26.473 2.956 -4.074 1.00 0.00 O ATOM 406 ND2 ASN A 25 26.243 1.151 -2.869 1.00 0.00 N ATOM 0 H ASN A 25 22.116 4.777 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 25 24.936 4.329 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.814 1.886 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.739 2.272 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.238 0.943 -2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.635 0.528 -2.338 1.00 0.00 H new ATOM 413 N VAL A 26 23.896 6.107 -4.090 1.00 0.00 N ATOM 414 CA VAL A 26 23.663 7.058 -5.224 1.00 0.00 C ATOM 415 C VAL A 26 22.161 7.317 -5.375 1.00 0.00 C ATOM 416 O VAL A 26 21.762 8.239 -6.063 1.00 0.00 O ATOM 417 CB VAL A 26 24.236 6.555 -6.559 1.00 0.00 C ATOM 418 CG1 VAL A 26 24.122 7.667 -7.600 1.00 0.00 C ATOM 419 CG2 VAL A 26 25.707 6.173 -6.376 1.00 0.00 C ATOM 0 H VAL A 26 24.084 6.567 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 26 24.189 7.981 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 26 23.678 5.680 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.526 7.319 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 23.074 7.939 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.684 8.539 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 26 26.111 5.817 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 26.271 7.045 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 26 25.788 5.384 -5.628 1.00 0.00 H new ATOM 429 N MET A 27 21.316 6.548 -4.711 1.00 0.00 N ATOM 430 CA MET A 27 19.857 6.802 -4.796 1.00 0.00 C ATOM 431 C MET A 27 19.623 8.167 -4.154 1.00 0.00 C ATOM 432 O MET A 27 19.290 9.124 -4.825 1.00 0.00 O ATOM 433 CB MET A 27 19.088 5.720 -4.023 1.00 0.00 C ATOM 434 CG MET A 27 19.583 4.315 -4.415 1.00 0.00 C ATOM 435 SD MET A 27 18.384 3.519 -5.518 1.00 0.00 S ATOM 436 CE MET A 27 18.721 4.525 -6.984 1.00 0.00 C ATOM 0 H MET A 27 21.586 5.762 -4.120 1.00 0.00 H new ATOM 0 HA MET A 27 19.510 6.782 -5.829 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.217 5.871 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 27 18.021 5.806 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.552 4.387 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.725 3.708 -3.521 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.433 3.972 -7.878 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.148 5.451 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 27 19.785 4.759 -7.028 1.00 0.00 H new ATOM 446 N LEU A 28 19.860 8.270 -2.858 1.00 0.00 N ATOM 447 CA LEU A 28 19.717 9.581 -2.145 1.00 0.00 C ATOM 448 C LEU A 28 18.417 10.275 -2.567 1.00 0.00 C ATOM 449 O LEU A 28 18.435 11.280 -3.252 1.00 0.00 O ATOM 450 CB LEU A 28 20.933 10.441 -2.510 1.00 0.00 C ATOM 451 CG LEU A 28 21.929 10.496 -1.340 1.00 0.00 C ATOM 452 CD1 LEU A 28 21.256 11.099 -0.105 1.00 0.00 C ATOM 453 CD2 LEU A 28 22.421 9.082 -1.012 1.00 0.00 C ATOM 0 H LEU A 28 20.148 7.492 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 28 19.673 9.429 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.423 10.031 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 20.608 11.450 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 28 22.776 11.119 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.970 11.133 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.916 12.109 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 20.402 10.484 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.127 9.126 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 21.572 8.457 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 28 22.914 8.657 -1.886 1.00 0.00 H new ATOM 465 N ARG A 29 17.287 9.709 -2.210 1.00 0.00 N ATOM 466 CA ARG A 29 15.982 10.296 -2.648 1.00 0.00 C ATOM 467 C ARG A 29 15.947 10.273 -4.184 1.00 0.00 C ATOM 468 O ARG A 29 15.308 11.086 -4.816 1.00 0.00 O ATOM 469 CB ARG A 29 15.861 11.743 -2.148 1.00 0.00 C ATOM 470 CG ARG A 29 14.389 12.185 -2.165 1.00 0.00 C ATOM 471 CD ARG A 29 14.196 13.327 -3.169 1.00 0.00 C ATOM 472 NE ARG A 29 12.751 13.449 -3.510 1.00 0.00 N ATOM 473 CZ ARG A 29 12.265 14.600 -3.889 1.00 0.00 C ATOM 474 NH1 ARG A 29 12.538 15.064 -5.078 1.00 0.00 N ATOM 475 NH2 ARG A 29 11.506 15.286 -3.079 1.00 0.00 N ATOM 0 H ARG A 29 17.214 8.869 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 29 15.153 9.720 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.261 11.822 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.455 12.405 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.751 11.343 -2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.087 12.510 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.561 14.263 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.778 13.136 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 29 12.141 12.634 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.131 14.527 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.158 15.963 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.293 14.923 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.126 16.185 -3.375 1.00 0.00 H new ATOM 489 N LYS A 30 16.675 9.345 -4.779 1.00 0.00 N ATOM 490 CA LYS A 30 16.760 9.216 -6.270 1.00 0.00 C ATOM 491 C LYS A 30 16.888 10.581 -6.962 1.00 0.00 C ATOM 492 O LYS A 30 16.551 10.716 -8.121 1.00 0.00 O ATOM 493 CB LYS A 30 15.536 8.460 -6.792 1.00 0.00 C ATOM 494 CG LYS A 30 15.948 7.024 -7.150 1.00 0.00 C ATOM 495 CD LYS A 30 14.798 6.315 -7.877 1.00 0.00 C ATOM 496 CE LYS A 30 14.141 5.296 -6.942 1.00 0.00 C ATOM 497 NZ LYS A 30 13.299 4.360 -7.740 1.00 0.00 N ATOM 0 H LYS A 30 17.228 8.654 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 30 17.663 8.654 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.750 8.449 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.128 8.964 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.835 7.038 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.210 6.476 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.060 7.046 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.174 5.814 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.905 4.741 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.530 5.809 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.853 3.668 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.562 4.897 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.894 3.862 -8.432 1.00 0.00 H new ATOM 511 N ILE A 31 17.411 11.575 -6.260 1.00 0.00 N ATOM 512 CA ILE A 31 17.621 12.950 -6.831 1.00 0.00 C ATOM 513 C ILE A 31 16.511 13.338 -7.825 1.00 0.00 C ATOM 514 O ILE A 31 16.747 14.012 -8.809 1.00 0.00 O ATOM 515 CB ILE A 31 18.987 12.985 -7.509 1.00 0.00 C ATOM 516 CG1 ILE A 31 20.061 12.480 -6.520 1.00 0.00 C ATOM 517 CG2 ILE A 31 19.307 14.416 -7.940 1.00 0.00 C ATOM 518 CD1 ILE A 31 20.132 13.398 -5.292 1.00 0.00 C ATOM 0 H ILE A 31 17.707 11.481 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 31 17.581 13.679 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 31 18.977 12.342 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.827 11.462 -6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 31 21.032 12.447 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 31 20.283 14.440 -8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 31 18.546 14.764 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 31 19.320 15.065 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 31 20.893 13.028 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 31 20.388 14.409 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 31 19.165 13.409 -4.790 1.00 0.00 H new ATOM 530 N ALA A 32 15.306 12.902 -7.563 1.00 0.00 N ATOM 531 CA ALA A 32 14.167 13.220 -8.470 1.00 0.00 C ATOM 532 C ALA A 32 12.870 12.711 -7.839 1.00 0.00 C ATOM 533 O ALA A 32 12.057 13.484 -7.371 1.00 0.00 O ATOM 534 CB ALA A 32 14.383 12.537 -9.822 1.00 0.00 C ATOM 0 H ALA A 32 15.062 12.334 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 32 14.105 14.298 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.550 12.770 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.311 12.896 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.442 11.458 -9.679 1.00 0.00 H new ATOM 540 N VAL A 33 12.675 11.410 -7.811 1.00 0.00 N ATOM 541 CA VAL A 33 11.431 10.840 -7.194 1.00 0.00 C ATOM 542 C VAL A 33 10.183 11.509 -7.792 1.00 0.00 C ATOM 543 O VAL A 33 9.752 12.554 -7.342 1.00 0.00 O ATOM 544 CB VAL A 33 11.489 11.076 -5.682 1.00 0.00 C ATOM 545 CG1 VAL A 33 10.234 10.520 -5.003 1.00 0.00 C ATOM 546 CG2 VAL A 33 12.726 10.372 -5.124 1.00 0.00 C ATOM 0 H VAL A 33 13.324 10.719 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 33 11.371 9.771 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 33 11.542 12.147 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.293 10.697 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.352 11.018 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.163 9.449 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.781 10.531 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.660 9.304 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.620 10.778 -5.597 1.00 0.00 H new ATOM 556 N ALA A 34 9.607 10.909 -8.803 1.00 0.00 N ATOM 557 CA ALA A 34 8.392 11.497 -9.438 1.00 0.00 C ATOM 558 C ALA A 34 7.561 10.382 -10.076 1.00 0.00 C ATOM 559 O ALA A 34 6.948 10.569 -11.110 1.00 0.00 O ATOM 560 CB ALA A 34 8.815 12.498 -10.514 1.00 0.00 C ATOM 0 H ALA A 34 9.929 10.034 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 34 7.795 12.007 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.928 12.929 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.408 13.292 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.411 11.988 -11.271 1.00 0.00 H new ATOM 566 N ALA A 35 7.538 9.225 -9.464 1.00 0.00 N ATOM 567 CA ALA A 35 6.749 8.090 -10.027 1.00 0.00 C ATOM 568 C ALA A 35 5.256 8.359 -9.831 1.00 0.00 C ATOM 569 O ALA A 35 4.448 8.081 -10.697 1.00 0.00 O ATOM 570 CB ALA A 35 7.132 6.796 -9.307 1.00 0.00 C ATOM 0 H ALA A 35 8.033 9.018 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 35 6.964 7.992 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.556 5.967 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.196 6.603 -9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.918 6.895 -8.243 1.00 0.00 H new ATOM 576 N ALA A 36 4.886 8.898 -8.697 1.00 0.00 N ATOM 577 CA ALA A 36 3.447 9.190 -8.433 1.00 0.00 C ATOM 578 C ALA A 36 3.218 10.702 -8.465 1.00 0.00 C ATOM 579 O ALA A 36 3.904 11.456 -7.801 1.00 0.00 O ATOM 580 CB ALA A 36 3.060 8.644 -7.057 1.00 0.00 C ATOM 0 H ALA A 36 5.522 9.149 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 36 2.834 8.714 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.009 8.857 -6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.222 7.566 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.673 9.119 -6.291 1.00 0.00 H new ATOM 586 N SER A 37 2.258 11.149 -9.235 1.00 0.00 N ATOM 587 CA SER A 37 1.976 12.612 -9.318 1.00 0.00 C ATOM 588 C SER A 37 0.712 12.935 -8.518 1.00 0.00 C ATOM 589 O SER A 37 -0.366 13.058 -9.068 1.00 0.00 O ATOM 590 CB SER A 37 1.772 13.009 -10.781 1.00 0.00 C ATOM 591 OG SER A 37 3.014 13.426 -11.332 1.00 0.00 O ATOM 0 H SER A 37 1.656 10.561 -9.811 1.00 0.00 H new ATOM 0 HA SER A 37 2.817 13.169 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.375 12.166 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.041 13.814 -10.853 1.00 0.00 H new ATOM 0 HG SER A 37 2.887 13.679 -12.270 1.00 0.00 H new ATOM 597 N LYS A 38 0.840 13.072 -7.221 1.00 0.00 N ATOM 598 CA LYS A 38 -0.348 13.387 -6.369 1.00 0.00 C ATOM 599 C LYS A 38 -1.401 12.272 -6.515 1.00 0.00 C ATOM 600 O LYS A 38 -2.345 12.422 -7.267 1.00 0.00 O ATOM 601 CB LYS A 38 -0.952 14.727 -6.802 1.00 0.00 C ATOM 602 CG LYS A 38 -0.346 15.855 -5.966 1.00 0.00 C ATOM 603 CD LYS A 38 -1.202 17.115 -6.111 1.00 0.00 C ATOM 604 CE LYS A 38 -2.420 17.013 -5.191 1.00 0.00 C ATOM 605 NZ LYS A 38 -2.805 18.376 -4.725 1.00 0.00 N ATOM 0 H LYS A 38 1.720 12.979 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.036 13.453 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.758 14.900 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.034 14.708 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.293 15.557 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.674 16.056 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.615 17.998 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.523 17.232 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.252 16.550 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.192 16.376 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.633 18.308 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.012 18.802 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.039 18.970 -5.546 1.00 0.00 H new ATOM 619 N PRO A 39 -1.220 11.177 -5.796 1.00 0.00 N ATOM 620 CA PRO A 39 -2.162 10.044 -5.852 1.00 0.00 C ATOM 621 C PRO A 39 -3.410 10.347 -5.018 1.00 0.00 C ATOM 622 O PRO A 39 -3.469 11.337 -4.313 1.00 0.00 O ATOM 623 CB PRO A 39 -1.370 8.882 -5.246 1.00 0.00 C ATOM 624 CG PRO A 39 -0.264 9.515 -4.370 1.00 0.00 C ATOM 625 CD PRO A 39 -0.079 10.959 -4.869 1.00 0.00 C ATOM 0 HA PRO A 39 -2.514 9.830 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.018 8.240 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.936 8.258 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.549 9.502 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.666 8.954 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.096 11.670 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.877 11.084 -5.378 1.00 0.00 H new ATOM 633 N ALA A 40 -4.405 9.500 -5.095 1.00 0.00 N ATOM 634 CA ALA A 40 -5.652 9.730 -4.310 1.00 0.00 C ATOM 635 C ALA A 40 -6.219 8.395 -3.850 1.00 0.00 C ATOM 636 O ALA A 40 -6.293 8.129 -2.671 1.00 0.00 O ATOM 637 CB ALA A 40 -6.680 10.452 -5.183 1.00 0.00 C ATOM 0 H ALA A 40 -4.406 8.657 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.423 10.344 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.591 10.620 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.274 11.410 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.909 9.841 -6.056 1.00 0.00 H new ATOM 643 N VAL A 41 -6.607 7.557 -4.784 1.00 0.00 N ATOM 644 CA VAL A 41 -7.175 6.202 -4.464 1.00 0.00 C ATOM 645 C VAL A 41 -8.683 6.287 -4.228 1.00 0.00 C ATOM 646 O VAL A 41 -9.259 7.354 -4.118 1.00 0.00 O ATOM 647 CB VAL A 41 -6.459 5.548 -3.234 1.00 0.00 C ATOM 648 CG1 VAL A 41 -7.254 5.716 -1.921 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.269 4.060 -3.505 1.00 0.00 C ATOM 0 H VAL A 41 -6.553 7.760 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.995 5.562 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.503 6.056 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.710 5.243 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.382 6.777 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.232 5.246 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.771 3.596 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.241 3.591 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.659 3.928 -4.399 1.00 0.00 H new ATOM 659 N GLU A 42 -9.301 5.146 -4.106 1.00 0.00 N ATOM 660 CA GLU A 42 -10.752 5.098 -3.829 1.00 0.00 C ATOM 661 C GLU A 42 -11.100 3.704 -3.320 1.00 0.00 C ATOM 662 O GLU A 42 -10.935 2.723 -4.019 1.00 0.00 O ATOM 663 CB GLU A 42 -11.547 5.414 -5.098 1.00 0.00 C ATOM 664 CG GLU A 42 -11.135 4.453 -6.212 1.00 0.00 C ATOM 665 CD GLU A 42 -11.378 5.111 -7.572 1.00 0.00 C ATOM 666 OE1 GLU A 42 -10.727 6.104 -7.851 1.00 0.00 O ATOM 667 OE2 GLU A 42 -12.211 4.611 -8.310 1.00 0.00 O ATOM 0 H GLU A 42 -8.850 4.235 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.010 5.843 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.615 5.323 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.366 6.444 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.083 4.188 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.706 3.527 -6.137 1.00 0.00 H new ATOM 674 N ILE A 43 -11.563 3.609 -2.101 1.00 0.00 N ATOM 675 CA ILE A 43 -11.898 2.277 -1.538 1.00 0.00 C ATOM 676 C ILE A 43 -13.399 2.033 -1.631 1.00 0.00 C ATOM 677 O ILE A 43 -14.206 2.935 -1.517 1.00 0.00 O ATOM 678 CB ILE A 43 -11.430 2.206 -0.087 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.928 2.508 -0.036 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.689 0.804 0.475 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.445 2.541 1.416 1.00 0.00 C ATOM 0 H ILE A 43 -11.722 4.398 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.390 1.502 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.977 2.935 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.378 1.749 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.726 3.465 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.353 0.759 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.756 0.585 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.143 0.069 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.377 2.756 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.983 3.316 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.630 1.574 1.883 1.00 0.00 H new ATOM 693 N LYS A 44 -13.758 0.806 -1.854 1.00 0.00 N ATOM 694 CA LYS A 44 -15.187 0.430 -1.982 1.00 0.00 C ATOM 695 C LYS A 44 -15.353 -0.910 -1.277 1.00 0.00 C ATOM 696 O LYS A 44 -14.922 -1.931 -1.770 1.00 0.00 O ATOM 697 CB LYS A 44 -15.516 0.306 -3.471 1.00 0.00 C ATOM 698 CG LYS A 44 -15.106 1.597 -4.182 1.00 0.00 C ATOM 699 CD LYS A 44 -15.845 1.709 -5.509 1.00 0.00 C ATOM 700 CE LYS A 44 -15.410 0.580 -6.447 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.587 0.102 -7.226 1.00 0.00 N ATOM 0 H LYS A 44 -13.105 0.029 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.855 1.169 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.990 -0.545 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.582 0.124 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.334 2.458 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.029 1.604 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.921 1.659 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.639 2.675 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.632 0.934 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.983 -0.241 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.293 -0.665 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.315 -0.251 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.975 0.888 -7.786 1.00 0.00 H new ATOM 715 N GLN A 45 -15.911 -0.909 -0.097 1.00 0.00 N ATOM 716 CA GLN A 45 -16.014 -2.188 0.663 1.00 0.00 C ATOM 717 C GLN A 45 -17.431 -2.474 1.164 1.00 0.00 C ATOM 718 O GLN A 45 -18.166 -1.591 1.562 1.00 0.00 O ATOM 719 CB GLN A 45 -15.059 -2.096 1.855 1.00 0.00 C ATOM 720 CG GLN A 45 -15.481 -0.948 2.782 1.00 0.00 C ATOM 721 CD GLN A 45 -16.182 -1.511 4.026 1.00 0.00 C ATOM 722 OE1 GLN A 45 -16.537 -2.673 4.068 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.398 -0.728 5.047 1.00 0.00 N ATOM 0 H GLN A 45 -16.296 -0.088 0.370 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.753 -3.008 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.060 -3.037 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.040 -1.934 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.607 -0.368 3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.150 -0.269 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.101 0.247 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.864 -1.091 5.879 1.00 0.00 H new ATOM 732 N GLU A 46 -17.785 -3.731 1.173 1.00 0.00 N ATOM 733 CA GLU A 46 -19.116 -4.157 1.673 1.00 0.00 C ATOM 734 C GLU A 46 -18.895 -5.279 2.696 1.00 0.00 C ATOM 735 O GLU A 46 -18.923 -6.449 2.362 1.00 0.00 O ATOM 736 CB GLU A 46 -19.955 -4.681 0.508 1.00 0.00 C ATOM 737 CG GLU A 46 -21.435 -4.623 0.885 1.00 0.00 C ATOM 738 CD GLU A 46 -22.284 -5.078 -0.304 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.265 -6.261 -0.601 1.00 0.00 O ATOM 740 OE2 GLU A 46 -22.939 -4.237 -0.896 1.00 0.00 O ATOM 0 H GLU A 46 -17.192 -4.494 0.847 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.640 -3.319 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.772 -4.083 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.668 -5.705 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.627 -5.261 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.708 -3.608 1.173 1.00 0.00 H new ATOM 747 N GLY A 47 -18.649 -4.926 3.934 1.00 0.00 N ATOM 748 CA GLY A 47 -18.399 -5.965 4.979 1.00 0.00 C ATOM 749 C GLY A 47 -16.948 -6.443 4.874 1.00 0.00 C ATOM 750 O GLY A 47 -16.030 -5.646 4.813 1.00 0.00 O ATOM 0 H GLY A 47 -18.611 -3.962 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.589 -5.554 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.082 -6.804 4.846 1.00 0.00 H new ATOM 754 N ASP A 48 -16.733 -7.736 4.844 1.00 0.00 N ATOM 755 CA ASP A 48 -15.345 -8.267 4.733 1.00 0.00 C ATOM 756 C ASP A 48 -14.851 -8.186 3.283 1.00 0.00 C ATOM 757 O ASP A 48 -13.724 -8.538 2.998 1.00 0.00 O ATOM 758 CB ASP A 48 -15.321 -9.716 5.196 1.00 0.00 C ATOM 759 CG ASP A 48 -16.347 -10.530 4.404 1.00 0.00 C ATOM 760 OD1 ASP A 48 -16.178 -10.650 3.202 1.00 0.00 O ATOM 761 OD2 ASP A 48 -17.284 -11.018 5.014 1.00 0.00 O ATOM 0 H ASP A 48 -17.464 -8.446 4.892 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.688 -7.665 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.325 -10.135 5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.544 -9.771 6.262 1.00 0.00 H new ATOM 766 N THR A 49 -15.664 -7.708 2.370 1.00 0.00 N ATOM 767 CA THR A 49 -15.211 -7.588 0.957 1.00 0.00 C ATOM 768 C THR A 49 -14.626 -6.187 0.769 1.00 0.00 C ATOM 769 O THR A 49 -15.183 -5.217 1.241 1.00 0.00 O ATOM 770 CB THR A 49 -16.411 -7.772 0.026 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.019 -9.030 0.284 1.00 0.00 O ATOM 772 CG2 THR A 49 -15.946 -7.718 -1.428 1.00 0.00 C ATOM 0 H THR A 49 -16.619 -7.398 2.547 1.00 0.00 H new ATOM 0 HA THR A 49 -14.462 -8.346 0.726 1.00 0.00 H new ATOM 0 HB THR A 49 -17.133 -6.975 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.789 -9.149 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.803 -7.849 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.480 -6.753 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.223 -8.514 -1.609 1.00 0.00 H new ATOM 780 N PHE A 50 -13.507 -6.067 0.106 1.00 0.00 N ATOM 781 CA PHE A 50 -12.907 -4.716 -0.087 1.00 0.00 C ATOM 782 C PHE A 50 -12.376 -4.546 -1.508 1.00 0.00 C ATOM 783 O PHE A 50 -11.871 -5.464 -2.123 1.00 0.00 O ATOM 784 CB PHE A 50 -11.756 -4.515 0.899 1.00 0.00 C ATOM 785 CG PHE A 50 -12.290 -4.666 2.292 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.398 -5.935 2.851 1.00 0.00 C ATOM 787 CD2 PHE A 50 -12.706 -3.544 3.009 1.00 0.00 C ATOM 788 CE1 PHE A 50 -12.927 -6.091 4.129 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.231 -3.695 4.298 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.344 -4.975 4.856 1.00 0.00 C ATOM 0 H PHE A 50 -12.986 -6.840 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.687 -3.975 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.968 -5.245 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.313 -3.528 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.071 -6.800 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.623 -2.561 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.015 -7.078 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.547 -2.829 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.753 -5.098 5.848 1.00 0.00 H new ATOM 800 N TYR A 51 -12.461 -3.346 -1.998 1.00 0.00 N ATOM 801 CA TYR A 51 -11.944 -3.016 -3.349 1.00 0.00 C ATOM 802 C TYR A 51 -10.984 -1.848 -3.127 1.00 0.00 C ATOM 803 O TYR A 51 -11.192 -1.041 -2.238 1.00 0.00 O ATOM 804 CB TYR A 51 -13.141 -2.666 -4.269 1.00 0.00 C ATOM 805 CG TYR A 51 -12.799 -1.656 -5.352 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.658 -0.304 -5.026 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.680 -2.068 -6.682 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.404 0.636 -6.021 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.412 -1.123 -7.684 1.00 0.00 C ATOM 810 CZ TYR A 51 -12.279 0.229 -7.352 1.00 0.00 C ATOM 811 OH TYR A 51 -12.038 1.162 -8.341 1.00 0.00 O ATOM 0 H TYR A 51 -12.879 -2.558 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.419 -3.834 -3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.508 -3.579 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.954 -2.272 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.747 0.013 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.794 -3.111 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.304 1.680 -5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.308 -1.440 -8.711 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.978 0.711 -9.209 1.00 0.00 H new ATOM 821 N ILE A 52 -9.925 -1.768 -3.877 1.00 0.00 N ATOM 822 CA ILE A 52 -8.948 -0.665 -3.644 1.00 0.00 C ATOM 823 C ILE A 52 -8.345 -0.226 -4.975 1.00 0.00 C ATOM 824 O ILE A 52 -7.575 -0.946 -5.580 1.00 0.00 O ATOM 825 CB ILE A 52 -7.831 -1.153 -2.701 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.431 -2.020 -1.576 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.125 0.056 -2.086 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.329 -2.495 -0.623 1.00 0.00 C ATOM 0 H ILE A 52 -9.692 -2.410 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.460 0.181 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.117 -1.749 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.176 -1.447 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.945 -2.880 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.334 -0.285 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.692 0.667 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.845 0.650 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.768 -3.106 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.600 -3.087 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.834 -1.631 -0.180 1.00 0.00 H new ATOM 840 N LYS A 53 -8.693 0.947 -5.440 1.00 0.00 N ATOM 841 CA LYS A 53 -8.144 1.423 -6.740 1.00 0.00 C ATOM 842 C LYS A 53 -7.261 2.652 -6.531 1.00 0.00 C ATOM 843 O LYS A 53 -7.745 3.759 -6.392 1.00 0.00 O ATOM 844 CB LYS A 53 -9.298 1.765 -7.684 1.00 0.00 C ATOM 845 CG LYS A 53 -8.753 2.156 -9.064 1.00 0.00 C ATOM 846 CD LYS A 53 -9.777 3.038 -9.797 1.00 0.00 C ATOM 847 CE LYS A 53 -9.184 4.429 -10.043 1.00 0.00 C ATOM 848 NZ LYS A 53 -8.087 4.331 -11.047 1.00 0.00 N ATOM 0 H LYS A 53 -9.332 1.592 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.535 0.632 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.967 0.910 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.885 2.585 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.810 2.692 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.545 1.261 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.054 2.578 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.689 3.121 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.958 5.108 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.802 4.843 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.707 5.280 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.329 3.723 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.458 3.922 -11.928 1.00 0.00 H new ATOM 862 N THR A 54 -5.967 2.460 -6.532 1.00 0.00 N ATOM 863 CA THR A 54 -5.029 3.606 -6.360 1.00 0.00 C ATOM 864 C THR A 54 -4.650 4.138 -7.735 1.00 0.00 C ATOM 865 O THR A 54 -4.617 3.399 -8.701 1.00 0.00 O ATOM 866 CB THR A 54 -3.768 3.135 -5.632 1.00 0.00 C ATOM 867 OG1 THR A 54 -4.120 2.157 -4.663 1.00 0.00 O ATOM 868 CG2 THR A 54 -3.087 4.321 -4.939 1.00 0.00 C ATOM 0 H THR A 54 -5.518 1.551 -6.646 1.00 0.00 H new ATOM 0 HA THR A 54 -5.508 4.391 -5.774 1.00 0.00 H new ATOM 0 HB THR A 54 -3.078 2.703 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.313 1.853 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.191 3.976 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.812 5.069 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.773 4.763 -4.217 1.00 0.00 H new ATOM 876 N SER A 55 -4.367 5.412 -7.838 1.00 0.00 N ATOM 877 CA SER A 55 -3.992 5.978 -9.160 1.00 0.00 C ATOM 878 C SER A 55 -3.539 7.430 -9.014 1.00 0.00 C ATOM 879 O SER A 55 -3.424 7.953 -7.921 1.00 0.00 O ATOM 880 CB SER A 55 -5.195 5.915 -10.100 1.00 0.00 C ATOM 881 OG SER A 55 -6.133 6.919 -9.734 1.00 0.00 O ATOM 0 H SER A 55 -4.380 6.078 -7.066 1.00 0.00 H new ATOM 0 HA SER A 55 -3.169 5.393 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.873 6.061 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.660 4.931 -10.048 1.00 0.00 H new ATOM 0 HG SER A 55 -6.905 6.881 -10.337 1.00 0.00 H new ATOM 887 N THR A 56 -3.285 8.080 -10.120 1.00 0.00 N ATOM 888 CA THR A 56 -2.840 9.503 -10.082 1.00 0.00 C ATOM 889 C THR A 56 -3.391 10.243 -11.305 1.00 0.00 C ATOM 890 O THR A 56 -3.884 11.350 -11.197 1.00 0.00 O ATOM 891 CB THR A 56 -1.310 9.562 -10.088 1.00 0.00 C ATOM 892 OG1 THR A 56 -0.890 10.914 -10.212 1.00 0.00 O ATOM 893 CG2 THR A 56 -0.770 8.747 -11.262 1.00 0.00 C ATOM 0 H THR A 56 -3.368 7.681 -11.055 1.00 0.00 H new ATOM 0 HA THR A 56 -3.214 9.977 -9.175 1.00 0.00 H new ATOM 0 HB THR A 56 -0.927 9.147 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.042 11.383 -9.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.319 8.790 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.092 7.710 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.152 9.158 -12.197 1.00 0.00 H new ATOM 901 N THR A 57 -3.312 9.639 -12.468 1.00 0.00 N ATOM 902 CA THR A 57 -3.833 10.304 -13.699 1.00 0.00 C ATOM 903 C THR A 57 -4.159 9.245 -14.755 1.00 0.00 C ATOM 904 O THR A 57 -5.308 9.018 -15.085 1.00 0.00 O ATOM 905 CB THR A 57 -2.780 11.273 -14.251 1.00 0.00 C ATOM 906 OG1 THR A 57 -1.886 11.650 -13.212 1.00 0.00 O ATOM 907 CG2 THR A 57 -3.470 12.521 -14.806 1.00 0.00 C ATOM 0 H THR A 57 -2.908 8.714 -12.615 1.00 0.00 H new ATOM 0 HA THR A 57 -4.737 10.860 -13.451 1.00 0.00 H new ATOM 0 HB THR A 57 -2.223 10.781 -15.048 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.213 12.268 -13.567 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.720 13.208 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.152 12.234 -15.606 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.030 13.011 -14.010 1.00 0.00 H new ATOM 915 N VAL A 58 -3.155 8.597 -15.283 1.00 0.00 N ATOM 916 CA VAL A 58 -3.389 7.548 -16.321 1.00 0.00 C ATOM 917 C VAL A 58 -4.080 6.340 -15.684 1.00 0.00 C ATOM 918 O VAL A 58 -4.466 6.373 -14.530 1.00 0.00 O ATOM 919 CB VAL A 58 -2.049 7.112 -16.913 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.445 8.264 -17.717 1.00 0.00 C ATOM 921 CG2 VAL A 58 -1.097 6.729 -15.779 1.00 0.00 C ATOM 0 H VAL A 58 -2.176 8.750 -15.039 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.023 7.954 -17.109 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.202 6.255 -17.569 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.490 7.952 -18.139 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.124 8.540 -18.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.290 9.122 -17.063 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.140 6.417 -16.197 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.945 7.588 -15.126 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.527 5.908 -15.205 1.00 0.00 H new ATOM 931 N ARG A 59 -4.240 5.273 -16.430 1.00 0.00 N ATOM 932 CA ARG A 59 -4.906 4.055 -15.876 1.00 0.00 C ATOM 933 C ARG A 59 -4.107 3.531 -14.678 1.00 0.00 C ATOM 934 O ARG A 59 -3.062 4.057 -14.344 1.00 0.00 O ATOM 935 CB ARG A 59 -4.986 2.972 -16.960 1.00 0.00 C ATOM 936 CG ARG A 59 -3.581 2.632 -17.468 1.00 0.00 C ATOM 937 CD ARG A 59 -3.684 1.647 -18.634 1.00 0.00 C ATOM 938 NE ARG A 59 -2.349 1.496 -19.277 1.00 0.00 N ATOM 939 CZ ARG A 59 -1.902 0.309 -19.584 1.00 0.00 C ATOM 940 NH1 ARG A 59 -2.440 -0.356 -20.569 1.00 0.00 N ATOM 941 NH2 ARG A 59 -0.918 -0.213 -18.905 1.00 0.00 N ATOM 0 H ARG A 59 -3.937 5.195 -17.401 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.914 4.312 -15.551 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.462 2.078 -16.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.606 3.319 -17.787 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.069 3.539 -17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.987 2.199 -16.663 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.039 0.680 -18.277 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.412 2.004 -19.362 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.784 2.321 -19.478 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.210 0.052 -21.099 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.091 -1.284 -20.809 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.498 0.307 -18.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.569 -1.141 -19.145 1.00 0.00 H new ATOM 955 N THR A 60 -4.594 2.503 -14.029 1.00 0.00 N ATOM 956 CA THR A 60 -3.867 1.947 -12.847 1.00 0.00 C ATOM 957 C THR A 60 -4.399 0.544 -12.534 1.00 0.00 C ATOM 958 O THR A 60 -5.078 -0.065 -13.340 1.00 0.00 O ATOM 959 CB THR A 60 -4.079 2.863 -11.627 1.00 0.00 C ATOM 960 OG1 THR A 60 -4.627 4.101 -12.053 1.00 0.00 O ATOM 961 CG2 THR A 60 -2.741 3.118 -10.919 1.00 0.00 C ATOM 0 H THR A 60 -5.463 2.025 -14.267 1.00 0.00 H new ATOM 0 HA THR A 60 -2.802 1.891 -13.072 1.00 0.00 H new ATOM 0 HB THR A 60 -4.764 2.375 -10.933 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.605 4.046 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.903 3.767 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.320 2.170 -10.585 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.049 3.599 -11.611 1.00 0.00 H new ATOM 969 N THR A 61 -4.099 0.035 -11.366 1.00 0.00 N ATOM 970 CA THR A 61 -4.586 -1.322 -10.984 1.00 0.00 C ATOM 971 C THR A 61 -5.348 -1.230 -9.661 1.00 0.00 C ATOM 972 O THR A 61 -5.174 -0.294 -8.903 1.00 0.00 O ATOM 973 CB THR A 61 -3.394 -2.268 -10.824 1.00 0.00 C ATOM 974 OG1 THR A 61 -3.847 -3.519 -10.328 1.00 0.00 O ATOM 975 CG2 THR A 61 -2.391 -1.661 -9.845 1.00 0.00 C ATOM 0 H THR A 61 -3.535 0.505 -10.658 1.00 0.00 H new ATOM 0 HA THR A 61 -5.247 -1.705 -11.761 1.00 0.00 H new ATOM 0 HB THR A 61 -2.912 -2.415 -11.791 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.085 -4.126 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.541 -2.334 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.044 -0.701 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.871 -1.514 -8.877 1.00 0.00 H new ATOM 983 N GLU A 62 -6.191 -2.191 -9.379 1.00 0.00 N ATOM 984 CA GLU A 62 -6.967 -2.159 -8.104 1.00 0.00 C ATOM 985 C GLU A 62 -7.222 -3.590 -7.622 1.00 0.00 C ATOM 986 O GLU A 62 -7.448 -4.485 -8.416 1.00 0.00 O ATOM 987 CB GLU A 62 -8.303 -1.427 -8.332 1.00 0.00 C ATOM 988 CG GLU A 62 -9.188 -2.187 -9.330 1.00 0.00 C ATOM 989 CD GLU A 62 -8.664 -1.974 -10.752 1.00 0.00 C ATOM 990 OE1 GLU A 62 -8.414 -0.833 -11.105 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.521 -2.955 -11.463 1.00 0.00 O ATOM 0 H GLU A 62 -6.375 -2.996 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.397 -1.626 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.829 -1.320 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.111 -0.421 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.193 -3.250 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.218 -1.838 -9.256 1.00 0.00 H new ATOM 998 N ILE A 63 -7.199 -3.813 -6.328 1.00 0.00 N ATOM 999 CA ILE A 63 -7.455 -5.188 -5.812 1.00 0.00 C ATOM 1000 C ILE A 63 -8.916 -5.317 -5.398 1.00 0.00 C ATOM 1001 O ILE A 63 -9.322 -4.866 -4.344 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.542 -5.542 -4.622 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.372 -4.346 -3.671 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.181 -5.974 -5.156 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.504 -4.747 -2.472 1.00 0.00 C ATOM 0 H ILE A 63 -7.015 -3.106 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.231 -5.889 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.002 -6.353 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.911 -3.512 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.348 -4.004 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.526 -6.227 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.302 -6.846 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.740 -5.159 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.389 -3.893 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.982 -5.566 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.523 -5.067 -2.824 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.698 -5.962 -6.220 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.134 -6.183 -5.875 1.00 0.00 C ATOM 1019 C ASN A 64 -11.206 -7.549 -5.204 1.00 0.00 C ATOM 1020 O ASN A 64 -11.568 -8.547 -5.798 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.057 -6.138 -7.115 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.363 -6.656 -8.391 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.590 -6.130 -9.462 1.00 0.00 O ATOM 1024 ND2 ASN A 64 -10.527 -7.660 -8.334 1.00 0.00 N ATOM 0 H ASN A 64 -9.405 -6.347 -7.118 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.486 -5.387 -5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.948 -6.736 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.390 -5.113 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.073 -7.994 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.329 -8.109 -7.440 1.00 0.00 H new ATOM 1031 N PHE A 65 -10.796 -7.591 -3.974 1.00 0.00 N ATOM 1032 CA PHE A 65 -10.736 -8.876 -3.230 1.00 0.00 C ATOM 1033 C PHE A 65 -11.684 -8.858 -2.022 1.00 0.00 C ATOM 1034 O PHE A 65 -12.574 -8.046 -1.922 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.272 -9.038 -2.741 1.00 0.00 C ATOM 1036 CG PHE A 65 -8.974 -8.009 -1.647 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -8.669 -6.689 -1.994 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.062 -8.365 -0.293 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.448 -5.730 -1.005 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -8.849 -7.401 0.701 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.543 -6.082 0.345 1.00 0.00 C ATOM 0 H PHE A 65 -10.494 -6.775 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.041 -9.702 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.117 -10.046 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.583 -8.905 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.604 -6.410 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.294 -9.383 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.203 -4.715 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.921 -7.676 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.381 -5.338 1.111 1.00 0.00 H new ATOM 1051 N LYS A 66 -11.429 -9.740 -1.096 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.195 -9.821 0.166 1.00 0.00 C ATOM 1053 C LYS A 66 -11.179 -10.272 1.210 1.00 0.00 C ATOM 1054 O LYS A 66 -10.462 -11.230 1.006 1.00 0.00 O ATOM 1055 CB LYS A 66 -13.357 -10.818 0.061 1.00 0.00 C ATOM 1056 CG LYS A 66 -12.941 -12.074 -0.716 1.00 0.00 C ATOM 1057 CD LYS A 66 -13.110 -13.317 0.165 1.00 0.00 C ATOM 1058 CE LYS A 66 -14.557 -13.809 0.091 1.00 0.00 C ATOM 1059 NZ LYS A 66 -15.307 -13.328 1.286 1.00 0.00 N ATOM 0 H LYS A 66 -10.687 -10.435 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.653 -8.865 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.690 -11.099 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.203 -10.343 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.547 -12.172 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.904 -11.985 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.431 -14.103 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.848 -13.082 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.031 -13.443 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.580 -14.898 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.213 -13.834 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.746 -13.507 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.486 -12.308 1.196 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.052 -9.542 2.283 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.022 -9.852 3.330 1.00 0.00 C ATOM 1075 C VAL A 67 -9.897 -11.356 3.651 1.00 0.00 C ATOM 1076 O VAL A 67 -8.880 -11.777 4.174 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.361 -9.052 4.588 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -9.427 -9.445 5.739 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.159 -7.576 4.277 1.00 0.00 C ATOM 0 H VAL A 67 -11.628 -8.726 2.488 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.047 -9.563 2.937 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.390 -9.255 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.681 -8.867 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.541 -10.508 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.395 -9.240 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.395 -6.982 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.122 -7.403 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.816 -7.284 3.458 1.00 0.00 H new ATOM 1089 N GLY A 68 -10.881 -12.165 3.358 1.00 0.00 N ATOM 1090 CA GLY A 68 -10.755 -13.619 3.666 1.00 0.00 C ATOM 1091 C GLY A 68 -10.011 -14.356 2.539 1.00 0.00 C ATOM 1092 O GLY A 68 -10.380 -15.462 2.185 1.00 0.00 O ATOM 0 H GLY A 68 -11.760 -11.885 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.221 -13.751 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.746 -14.054 3.799 1.00 0.00 H new ATOM 1096 N GLU A 69 -8.967 -13.776 1.972 1.00 0.00 N ATOM 1097 CA GLU A 69 -8.232 -14.500 0.879 1.00 0.00 C ATOM 1098 C GLU A 69 -6.957 -13.760 0.431 1.00 0.00 C ATOM 1099 O GLU A 69 -6.613 -12.690 0.916 1.00 0.00 O ATOM 1100 CB GLU A 69 -9.154 -14.680 -0.329 1.00 0.00 C ATOM 1101 CG GLU A 69 -9.769 -13.335 -0.711 1.00 0.00 C ATOM 1102 CD GLU A 69 -10.180 -13.361 -2.184 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -11.281 -13.806 -2.464 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -9.387 -12.936 -3.008 1.00 0.00 O ATOM 0 H GLU A 69 -8.602 -12.855 2.214 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.930 -15.466 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.592 -15.086 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.941 -15.397 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.637 -13.129 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.052 -12.533 -0.537 1.00 0.00 H new ATOM 1111 N GLU A 70 -6.250 -14.370 -0.493 1.00 0.00 N ATOM 1112 CA GLU A 70 -4.969 -13.795 -1.023 1.00 0.00 C ATOM 1113 C GLU A 70 -5.100 -13.388 -2.487 1.00 0.00 C ATOM 1114 O GLU A 70 -6.072 -13.685 -3.154 1.00 0.00 O ATOM 1115 CB GLU A 70 -3.857 -14.859 -0.984 1.00 0.00 C ATOM 1116 CG GLU A 70 -4.388 -16.209 -1.478 1.00 0.00 C ATOM 1117 CD GLU A 70 -4.758 -17.087 -0.280 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -5.485 -16.610 0.577 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -4.309 -18.220 -0.239 1.00 0.00 O ATOM 0 H GLU A 70 -6.513 -15.262 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.737 -12.931 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.020 -14.541 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.478 -14.961 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.261 -16.057 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.633 -16.707 -2.087 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.065 -12.768 -2.999 1.00 0.00 N ATOM 1127 CA PHE A 71 -4.027 -12.392 -4.436 1.00 0.00 C ATOM 1128 C PHE A 71 -2.776 -13.038 -5.014 1.00 0.00 C ATOM 1129 O PHE A 71 -2.075 -13.762 -4.332 1.00 0.00 O ATOM 1130 CB PHE A 71 -3.909 -10.868 -4.661 1.00 0.00 C ATOM 1131 CG PHE A 71 -4.597 -10.050 -3.590 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -5.802 -10.468 -3.014 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.023 -8.834 -3.196 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.421 -9.672 -2.043 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -4.649 -8.039 -2.236 1.00 0.00 C ATOM 1136 CZ PHE A 71 -5.842 -8.456 -1.658 1.00 0.00 C ATOM 0 H PHE A 71 -3.234 -12.505 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.954 -12.720 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.855 -10.594 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.337 -10.617 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.253 -11.401 -3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.092 -8.511 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.346 -9.996 -1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.206 -7.099 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.323 -7.842 -0.911 1.00 0.00 H new ATOM 1146 N GLU A 72 -2.477 -12.762 -6.245 1.00 0.00 N ATOM 1147 CA GLU A 72 -1.247 -13.332 -6.859 1.00 0.00 C ATOM 1148 C GLU A 72 -0.520 -12.239 -7.621 1.00 0.00 C ATOM 1149 O GLU A 72 -1.108 -11.252 -8.025 1.00 0.00 O ATOM 1150 CB GLU A 72 -1.594 -14.458 -7.823 1.00 0.00 C ATOM 1151 CG GLU A 72 -2.491 -15.471 -7.121 1.00 0.00 C ATOM 1152 CD GLU A 72 -3.182 -16.354 -8.162 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -2.523 -17.229 -8.699 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -4.358 -16.141 -8.404 1.00 0.00 O ATOM 0 H GLU A 72 -3.031 -12.164 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.615 -13.731 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.099 -14.056 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.684 -14.944 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.900 -16.086 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.236 -14.954 -6.516 1.00 0.00 H new ATOM 1161 N GLU A 73 0.752 -12.411 -7.820 1.00 0.00 N ATOM 1162 CA GLU A 73 1.535 -11.381 -8.563 1.00 0.00 C ATOM 1163 C GLU A 73 2.936 -11.900 -8.874 1.00 0.00 C ATOM 1164 O GLU A 73 3.259 -13.042 -8.620 1.00 0.00 O ATOM 1165 CB GLU A 73 1.635 -10.110 -7.710 1.00 0.00 C ATOM 1166 CG GLU A 73 1.459 -8.876 -8.600 1.00 0.00 C ATOM 1167 CD GLU A 73 2.342 -7.739 -8.079 1.00 0.00 C ATOM 1168 OE1 GLU A 73 3.482 -8.010 -7.739 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.862 -6.619 -8.029 1.00 0.00 O ATOM 0 H GLU A 73 1.288 -13.219 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 73 1.029 -11.158 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.871 -10.121 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.601 -10.073 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.727 -9.116 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.414 -8.565 -8.606 1.00 0.00 H new ATOM 1176 N GLN A 74 3.760 -11.055 -9.429 1.00 0.00 N ATOM 1177 CA GLN A 74 5.157 -11.460 -9.772 1.00 0.00 C ATOM 1178 C GLN A 74 6.123 -10.378 -9.283 1.00 0.00 C ATOM 1179 O GLN A 74 5.884 -9.199 -9.464 1.00 0.00 O ATOM 1180 CB GLN A 74 5.292 -11.608 -11.287 1.00 0.00 C ATOM 1181 CG GLN A 74 4.722 -12.960 -11.723 1.00 0.00 C ATOM 1182 CD GLN A 74 5.065 -13.208 -13.193 1.00 0.00 C ATOM 1183 OE1 GLN A 74 5.558 -14.262 -13.545 1.00 0.00 O ATOM 1184 NE2 GLN A 74 4.822 -12.276 -14.074 1.00 0.00 N ATOM 0 H GLN A 74 3.525 -10.090 -9.663 1.00 0.00 H new ATOM 0 HA GLN A 74 5.390 -12.412 -9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.762 -10.799 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.340 -11.533 -11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.133 -13.757 -11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.641 -12.973 -11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.408 -11.391 -13.780 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.046 -12.432 -15.057 1.00 0.00 H new ATOM 1193 N THR A 75 7.208 -10.768 -8.659 1.00 0.00 N ATOM 1194 CA THR A 75 8.183 -9.756 -8.151 1.00 0.00 C ATOM 1195 C THR A 75 8.965 -9.164 -9.330 1.00 0.00 C ATOM 1196 O THR A 75 8.552 -9.262 -10.470 1.00 0.00 O ATOM 1197 CB THR A 75 9.157 -10.413 -7.161 1.00 0.00 C ATOM 1198 OG1 THR A 75 8.582 -11.604 -6.642 1.00 0.00 O ATOM 1199 CG2 THR A 75 9.450 -9.447 -6.009 1.00 0.00 C ATOM 0 H THR A 75 7.459 -11.740 -8.480 1.00 0.00 H new ATOM 0 HA THR A 75 7.640 -8.962 -7.638 1.00 0.00 H new ATOM 0 HB THR A 75 10.085 -10.654 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.228 -12.338 -6.714 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.141 -9.915 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.897 -8.535 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.521 -9.203 -5.494 1.00 0.00 H new ATOM 1207 N VAL A 76 10.086 -8.544 -9.059 1.00 0.00 N ATOM 1208 CA VAL A 76 10.899 -7.933 -10.153 1.00 0.00 C ATOM 1209 C VAL A 76 11.837 -8.988 -10.743 1.00 0.00 C ATOM 1210 O VAL A 76 11.704 -9.375 -11.889 1.00 0.00 O ATOM 1211 CB VAL A 76 11.727 -6.771 -9.597 1.00 0.00 C ATOM 1212 CG1 VAL A 76 12.282 -5.940 -10.754 1.00 0.00 C ATOM 1213 CG2 VAL A 76 10.848 -5.883 -8.709 1.00 0.00 C ATOM 0 H VAL A 76 10.474 -8.435 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 76 10.232 -7.561 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 76 12.550 -7.170 -9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.871 -5.113 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.914 -6.568 -11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.457 -5.546 -11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.443 -5.058 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.021 -5.486 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.454 -6.473 -7.881 1.00 0.00 H new ATOM 1223 N ASP A 77 12.784 -9.453 -9.968 1.00 0.00 N ATOM 1224 CA ASP A 77 13.737 -10.483 -10.475 1.00 0.00 C ATOM 1225 C ASP A 77 14.051 -11.478 -9.356 1.00 0.00 C ATOM 1226 O ASP A 77 14.350 -11.097 -8.240 1.00 0.00 O ATOM 1227 CB ASP A 77 15.030 -9.804 -10.932 1.00 0.00 C ATOM 1228 CG ASP A 77 15.825 -10.765 -11.818 1.00 0.00 C ATOM 1229 OD1 ASP A 77 16.264 -11.783 -11.308 1.00 0.00 O ATOM 1230 OD2 ASP A 77 15.981 -10.467 -12.990 1.00 0.00 O ATOM 0 H ASP A 77 12.938 -9.162 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 77 13.289 -11.010 -11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.799 -8.892 -11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.626 -9.513 -10.067 1.00 0.00 H new ATOM 1235 N GLY A 78 13.981 -12.751 -9.650 1.00 0.00 N ATOM 1236 CA GLY A 78 14.269 -13.783 -8.613 1.00 0.00 C ATOM 1237 C GLY A 78 13.142 -14.816 -8.606 1.00 0.00 C ATOM 1238 O GLY A 78 13.282 -15.903 -9.134 1.00 0.00 O ATOM 0 H GLY A 78 13.735 -13.120 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.222 -14.269 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.356 -13.316 -7.632 1.00 0.00 H new ATOM 1242 N ARG A 79 12.025 -14.480 -8.013 1.00 0.00 N ATOM 1243 CA ARG A 79 10.878 -15.431 -7.968 1.00 0.00 C ATOM 1244 C ARG A 79 9.568 -14.630 -8.047 1.00 0.00 C ATOM 1245 O ARG A 79 9.601 -13.418 -7.994 1.00 0.00 O ATOM 1246 CB ARG A 79 10.929 -16.223 -6.653 1.00 0.00 C ATOM 1247 CG ARG A 79 11.311 -17.678 -6.936 1.00 0.00 C ATOM 1248 CD ARG A 79 12.034 -18.262 -5.721 1.00 0.00 C ATOM 1249 NE ARG A 79 12.957 -19.343 -6.165 1.00 0.00 N ATOM 1250 CZ ARG A 79 14.154 -19.044 -6.591 1.00 0.00 C ATOM 1251 NH1 ARG A 79 15.074 -18.672 -5.744 1.00 0.00 N ATOM 1252 NH2 ARG A 79 14.430 -19.116 -7.865 1.00 0.00 N ATOM 0 H ARG A 79 11.859 -13.583 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 79 10.931 -16.127 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.654 -15.773 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.960 -16.182 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.418 -18.263 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.953 -17.732 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.593 -17.480 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.310 -18.657 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 79 12.654 -20.317 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.858 -18.615 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.009 -18.438 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.710 -19.406 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.365 -18.882 -8.198 1.00 0.00 H new ATOM 1266 N PRO A 80 8.443 -15.314 -8.162 1.00 0.00 N ATOM 1267 CA PRO A 80 7.137 -14.638 -8.233 1.00 0.00 C ATOM 1268 C PRO A 80 6.736 -14.154 -6.839 1.00 0.00 C ATOM 1269 O PRO A 80 7.563 -14.074 -5.949 1.00 0.00 O ATOM 1270 CB PRO A 80 6.190 -15.724 -8.748 1.00 0.00 C ATOM 1271 CG PRO A 80 6.855 -17.079 -8.417 1.00 0.00 C ATOM 1272 CD PRO A 80 8.357 -16.796 -8.227 1.00 0.00 C ATOM 0 HA PRO A 80 7.131 -13.758 -8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.213 -15.645 -8.271 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.030 -15.622 -9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.425 -17.512 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.694 -17.796 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.737 -17.257 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.945 -17.193 -9.054 1.00 0.00 H new ATOM 1280 N CYS A 81 5.484 -13.829 -6.636 1.00 0.00 N ATOM 1281 CA CYS A 81 5.052 -13.350 -5.291 1.00 0.00 C ATOM 1282 C CYS A 81 3.541 -13.139 -5.247 1.00 0.00 C ATOM 1283 O CYS A 81 2.930 -12.664 -6.184 1.00 0.00 O ATOM 1284 CB CYS A 81 5.761 -12.028 -4.963 1.00 0.00 C ATOM 1285 SG CYS A 81 5.394 -10.790 -6.233 1.00 0.00 S ATOM 0 H CYS A 81 4.747 -13.875 -7.340 1.00 0.00 H new ATOM 0 HA CYS A 81 5.319 -14.108 -4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.437 -11.666 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.837 -12.189 -4.902 1.00 0.00 H new ATOM 0 HG CYS A 81 5.999 -9.677 -5.941 1.00 0.00 H new ATOM 1291 N LYS A 82 2.954 -13.478 -4.139 1.00 0.00 N ATOM 1292 CA LYS A 82 1.492 -13.305 -3.953 1.00 0.00 C ATOM 1293 C LYS A 82 1.272 -12.378 -2.763 1.00 0.00 C ATOM 1294 O LYS A 82 2.205 -11.810 -2.226 1.00 0.00 O ATOM 1295 CB LYS A 82 0.857 -14.660 -3.662 1.00 0.00 C ATOM 1296 CG LYS A 82 1.556 -15.322 -2.460 1.00 0.00 C ATOM 1297 CD LYS A 82 0.997 -16.737 -2.220 1.00 0.00 C ATOM 1298 CE LYS A 82 -0.536 -16.725 -2.254 1.00 0.00 C ATOM 1299 NZ LYS A 82 -1.068 -17.698 -1.259 1.00 0.00 N ATOM 0 H LYS A 82 3.438 -13.877 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 82 1.041 -12.883 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.205 -14.535 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.935 -15.303 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.630 -15.375 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.413 -14.712 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.378 -17.418 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.342 -17.111 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.906 -15.724 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.889 -16.982 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.003 -18.033 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.419 -18.507 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.154 -17.235 -0.332 1.00 0.00 H new ATOM 1313 N SER A 83 0.050 -12.226 -2.353 1.00 0.00 N ATOM 1314 CA SER A 83 -0.247 -11.338 -1.194 1.00 0.00 C ATOM 1315 C SER A 83 -1.386 -11.917 -0.372 1.00 0.00 C ATOM 1316 O SER A 83 -1.927 -12.950 -0.694 1.00 0.00 O ATOM 1317 CB SER A 83 -0.660 -9.966 -1.714 1.00 0.00 C ATOM 1318 OG SER A 83 -1.701 -10.133 -2.669 1.00 0.00 O ATOM 0 H SER A 83 -0.763 -12.679 -2.770 1.00 0.00 H new ATOM 0 HA SER A 83 0.642 -11.255 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.000 -9.337 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.193 -9.462 -2.169 1.00 0.00 H new ATOM 0 HG SER A 83 -2.433 -9.514 -2.466 1.00 0.00 H new ATOM 1324 N LEU A 84 -1.760 -11.244 0.682 1.00 0.00 N ATOM 1325 CA LEU A 84 -2.891 -11.746 1.521 1.00 0.00 C ATOM 1326 C LEU A 84 -3.312 -10.679 2.511 1.00 0.00 C ATOM 1327 O LEU A 84 -2.537 -10.259 3.344 1.00 0.00 O ATOM 1328 CB LEU A 84 -2.480 -13.011 2.270 1.00 0.00 C ATOM 1329 CG LEU A 84 -3.657 -13.986 2.279 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -3.131 -15.412 2.391 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -4.577 -13.683 3.458 1.00 0.00 C ATOM 0 H LEU A 84 -1.335 -10.373 0.999 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.730 -11.983 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.615 -13.469 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.186 -12.766 3.291 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.222 -13.877 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.969 -16.109 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.485 -15.629 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.563 -15.519 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.413 -14.383 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.020 -13.785 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.956 -12.665 3.371 1.00 0.00 H new ATOM 1343 N VAL A 85 -4.541 -10.241 2.421 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.026 -9.183 3.349 1.00 0.00 C ATOM 1345 C VAL A 85 -5.640 -9.822 4.602 1.00 0.00 C ATOM 1346 O VAL A 85 -6.184 -10.908 4.567 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.049 -8.304 2.607 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -6.805 -7.388 3.585 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.308 -7.437 1.588 1.00 0.00 C ATOM 0 H VAL A 85 -5.228 -10.572 1.744 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.195 -8.557 3.674 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.771 -8.953 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.521 -6.779 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.335 -7.997 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.095 -6.739 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.023 -6.810 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.585 -6.806 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.787 -8.077 0.876 1.00 0.00 H new ATOM 1359 N LYS A 86 -5.546 -9.128 5.705 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.104 -9.637 6.983 1.00 0.00 C ATOM 1361 C LYS A 86 -6.453 -8.446 7.878 1.00 0.00 C ATOM 1362 O LYS A 86 -6.543 -7.325 7.422 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.056 -10.517 7.665 1.00 0.00 C ATOM 1364 CG LYS A 86 -5.538 -11.967 7.709 1.00 0.00 C ATOM 1365 CD LYS A 86 -6.487 -12.161 8.894 1.00 0.00 C ATOM 1366 CE LYS A 86 -7.907 -11.772 8.478 1.00 0.00 C ATOM 1367 NZ LYS A 86 -8.882 -12.318 9.465 1.00 0.00 N ATOM 0 H LYS A 86 -5.097 -8.214 5.771 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.003 -10.226 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.111 -10.456 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.869 -10.157 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.047 -12.219 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.686 -12.641 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.465 -13.199 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.163 -11.550 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.997 -10.687 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.125 -12.160 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.847 -12.054 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.802 -13.354 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.678 -11.927 10.407 1.00 0.00 H new ATOM 1381 N TRP A 87 -6.662 -8.688 9.142 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.016 -7.584 10.083 1.00 0.00 C ATOM 1383 C TRP A 87 -6.015 -7.504 11.228 1.00 0.00 C ATOM 1384 O TRP A 87 -5.048 -8.238 11.297 1.00 0.00 O ATOM 1385 CB TRP A 87 -8.384 -7.859 10.675 1.00 0.00 C ATOM 1386 CG TRP A 87 -9.366 -7.834 9.584 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -9.868 -8.920 8.985 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -9.952 -6.682 8.930 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -10.760 -8.517 8.023 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -10.842 -7.143 7.944 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -9.804 -5.296 9.103 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -11.566 -6.265 7.152 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.530 -4.403 8.300 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.412 -4.889 7.327 1.00 0.00 C ATOM 0 H TRP A 87 -6.602 -9.612 9.569 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.007 -6.645 9.529 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.395 -8.828 11.175 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.631 -7.110 11.427 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.614 -9.943 9.219 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.297 -9.156 7.437 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.129 -4.916 9.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.246 -6.644 6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.408 -3.338 8.433 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -11.972 -4.200 6.713 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.273 -6.609 12.131 1.00 0.00 N ATOM 1406 CA GLU A 88 -5.399 -6.422 13.315 1.00 0.00 C ATOM 1407 C GLU A 88 -6.317 -6.215 14.526 1.00 0.00 C ATOM 1408 O GLU A 88 -6.264 -6.940 15.501 1.00 0.00 O ATOM 1409 CB GLU A 88 -4.501 -5.191 13.057 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.091 -4.480 14.359 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.311 -5.448 15.250 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -2.217 -5.825 14.866 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -3.823 -5.797 16.302 1.00 0.00 O ATOM 0 H GLU A 88 -7.076 -5.981 12.097 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.753 -7.280 13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.606 -5.504 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.029 -4.488 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.480 -3.607 14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.977 -4.121 14.883 1.00 0.00 H new ATOM 1420 N SER A 89 -7.153 -5.222 14.446 1.00 0.00 N ATOM 1421 CA SER A 89 -8.094 -4.923 15.556 1.00 0.00 C ATOM 1422 C SER A 89 -9.528 -5.002 15.035 1.00 0.00 C ATOM 1423 O SER A 89 -10.374 -5.675 15.589 1.00 0.00 O ATOM 1424 CB SER A 89 -7.826 -3.506 16.062 1.00 0.00 C ATOM 1425 OG SER A 89 -7.771 -2.618 14.948 1.00 0.00 O ATOM 0 H SER A 89 -7.225 -4.595 13.645 1.00 0.00 H new ATOM 0 HA SER A 89 -7.956 -5.642 16.363 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.612 -3.197 16.751 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.887 -3.475 16.615 1.00 0.00 H new ATOM 0 HG SER A 89 -7.601 -1.706 15.265 1.00 0.00 H new ATOM 1431 N GLU A 90 -9.787 -4.304 13.966 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.146 -4.273 13.342 1.00 0.00 C ATOM 1433 C GLU A 90 -11.140 -3.168 12.290 1.00 0.00 C ATOM 1434 O GLU A 90 -11.709 -3.294 11.224 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.230 -3.967 14.387 1.00 0.00 C ATOM 1436 CG GLU A 90 -11.854 -2.704 15.168 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.380 -2.814 16.600 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -11.933 -3.701 17.308 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -13.220 -2.008 16.965 1.00 0.00 O ATOM 0 H GLU A 90 -9.093 -3.735 13.481 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.369 -5.245 12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.193 -3.829 13.896 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.338 -4.810 15.070 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.771 -2.577 15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.275 -1.824 14.681 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.452 -2.100 12.585 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.328 -0.970 11.623 1.00 0.00 C ATOM 1448 C ASN A 91 -8.884 -0.910 11.118 1.00 0.00 C ATOM 1449 O ASN A 91 -8.538 -0.052 10.329 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.668 0.342 12.315 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.103 0.309 12.849 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -12.756 -0.716 12.829 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.625 1.408 13.321 1.00 0.00 N ATOM 0 H ASN A 91 -9.962 -1.961 13.469 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.015 -1.124 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.972 0.519 13.135 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.553 1.170 11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.582 1.408 13.674 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.076 2.267 13.337 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.037 -1.821 11.556 1.00 0.00 N ATOM 1461 CA LYS A 92 -6.642 -1.833 11.080 1.00 0.00 C ATOM 1462 C LYS A 92 -6.435 -3.171 10.377 1.00 0.00 C ATOM 1463 O LYS A 92 -6.681 -4.212 10.945 1.00 0.00 O ATOM 1464 CB LYS A 92 -5.692 -1.703 12.270 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.330 -1.224 11.779 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.469 -2.424 11.379 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.057 -1.948 11.033 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.378 -1.468 12.270 1.00 0.00 N ATOM 0 H LYS A 92 -8.270 -2.554 12.226 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.442 -1.003 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.097 -1.000 12.998 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.592 -2.663 12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.455 -0.555 10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.832 -0.653 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.431 -3.146 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.912 -2.934 10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.487 -2.762 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.102 -1.147 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.347 -1.498 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.672 -0.491 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.640 -2.080 13.069 1.00 0.00 H new ATOM 1482 N MET A 93 -6.011 -3.153 9.149 1.00 0.00 N ATOM 1483 CA MET A 93 -5.813 -4.423 8.402 1.00 0.00 C ATOM 1484 C MET A 93 -4.437 -4.436 7.766 1.00 0.00 C ATOM 1485 O MET A 93 -3.792 -3.417 7.614 1.00 0.00 O ATOM 1486 CB MET A 93 -6.878 -4.629 7.302 1.00 0.00 C ATOM 1487 CG MET A 93 -7.508 -3.304 6.844 1.00 0.00 C ATOM 1488 SD MET A 93 -7.842 -3.357 5.062 1.00 0.00 S ATOM 1489 CE MET A 93 -8.745 -4.926 5.039 1.00 0.00 C ATOM 0 H MET A 93 -5.791 -2.306 8.625 1.00 0.00 H new ATOM 0 HA MET A 93 -5.910 -5.237 9.121 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.422 -5.127 6.446 1.00 0.00 H new ATOM 0 HB3 MET A 93 -7.660 -5.290 7.676 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.434 -3.124 7.390 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.838 -2.475 7.072 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.127 -5.111 4.035 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.075 -5.736 5.328 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.578 -4.877 5.740 1.00 0.00 H new ATOM 1499 N VAL A 94 -3.991 -5.599 7.411 1.00 0.00 N ATOM 1500 CA VAL A 94 -2.647 -5.744 6.791 1.00 0.00 C ATOM 1501 C VAL A 94 -2.771 -6.388 5.419 1.00 0.00 C ATOM 1502 O VAL A 94 -3.849 -6.650 4.925 1.00 0.00 O ATOM 1503 CB VAL A 94 -1.781 -6.649 7.671 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.319 -5.881 8.903 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -2.603 -7.861 8.103 1.00 0.00 C ATOM 0 H VAL A 94 -4.506 -6.472 7.524 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.195 -4.757 6.695 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.908 -6.978 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.703 -6.529 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.735 -5.014 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.188 -5.549 9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.992 -8.510 8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.475 -7.527 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.930 -8.412 7.221 1.00 0.00 H new ATOM 1515 N CYS A 95 -1.655 -6.656 4.820 1.00 0.00 N ATOM 1516 CA CYS A 95 -1.632 -7.313 3.492 1.00 0.00 C ATOM 1517 C CYS A 95 -0.217 -7.807 3.264 1.00 0.00 C ATOM 1518 O CYS A 95 0.544 -7.218 2.524 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.020 -6.327 2.403 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.192 -7.209 0.831 1.00 0.00 S ATOM 0 H CYS A 95 -0.734 -6.443 5.203 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.345 -8.137 3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.957 -5.833 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.263 -5.548 2.315 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.461 -6.360 -0.116 1.00 0.00 H new ATOM 1526 N GLU A 96 0.152 -8.862 3.934 1.00 0.00 N ATOM 1527 CA GLU A 96 1.542 -9.370 3.802 1.00 0.00 C ATOM 1528 C GLU A 96 1.794 -9.908 2.396 1.00 0.00 C ATOM 1529 O GLU A 96 1.264 -10.930 2.003 1.00 0.00 O ATOM 1530 CB GLU A 96 1.802 -10.478 4.819 1.00 0.00 C ATOM 1531 CG GLU A 96 3.296 -10.807 4.813 1.00 0.00 C ATOM 1532 CD GLU A 96 3.552 -12.054 5.660 1.00 0.00 C ATOM 1533 OE1 GLU A 96 3.207 -12.033 6.830 1.00 0.00 O ATOM 1534 OE2 GLU A 96 4.089 -13.010 5.125 1.00 0.00 O ATOM 0 H GLU A 96 -0.448 -9.392 4.565 1.00 0.00 H new ATOM 0 HA GLU A 96 2.220 -8.538 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.489 -10.160 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.219 -11.364 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.638 -10.973 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.865 -9.965 5.207 1.00 0.00 H new ATOM 1541 N GLN A 97 2.625 -9.232 1.651 1.00 0.00 N ATOM 1542 CA GLN A 97 2.958 -9.686 0.282 1.00 0.00 C ATOM 1543 C GLN A 97 4.320 -10.387 0.325 1.00 0.00 C ATOM 1544 O GLN A 97 5.304 -9.801 0.737 1.00 0.00 O ATOM 1545 CB GLN A 97 3.037 -8.466 -0.634 1.00 0.00 C ATOM 1546 CG GLN A 97 1.669 -7.784 -0.706 1.00 0.00 C ATOM 1547 CD GLN A 97 1.401 -7.298 -2.134 1.00 0.00 C ATOM 1548 OE1 GLN A 97 2.303 -7.222 -2.947 1.00 0.00 O ATOM 1549 NE2 GLN A 97 0.187 -6.962 -2.477 1.00 0.00 N ATOM 0 H GLN A 97 3.091 -8.373 1.942 1.00 0.00 H new ATOM 0 HA GLN A 97 2.199 -10.373 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.784 -7.766 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.356 -8.768 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.889 -8.481 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.636 -6.942 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.571 -7.025 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.004 -6.637 -3.425 1.00 0.00 H new ATOM 1558 N LYS A 98 4.391 -11.636 -0.073 1.00 0.00 N ATOM 1559 CA LYS A 98 5.704 -12.355 -0.024 1.00 0.00 C ATOM 1560 C LYS A 98 6.037 -12.951 -1.393 1.00 0.00 C ATOM 1561 O LYS A 98 5.192 -13.043 -2.259 1.00 0.00 O ATOM 1562 CB LYS A 98 5.628 -13.479 1.013 1.00 0.00 C ATOM 1563 CG LYS A 98 4.403 -14.352 0.734 1.00 0.00 C ATOM 1564 CD LYS A 98 4.662 -15.773 1.235 1.00 0.00 C ATOM 1565 CE LYS A 98 4.229 -15.885 2.698 1.00 0.00 C ATOM 1566 NZ LYS A 98 5.115 -16.851 3.406 1.00 0.00 N ATOM 0 H LYS A 98 3.606 -12.183 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 98 6.485 -11.646 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.534 -14.084 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.566 -13.058 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.526 -13.935 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.189 -14.366 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.112 -16.491 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.720 -16.017 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.280 -14.908 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.192 -16.216 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.821 -16.927 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.045 -17.784 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.099 -16.517 3.361 1.00 0.00 H new ATOM 1580 N LEU A 99 7.265 -13.371 -1.584 1.00 0.00 N ATOM 1581 CA LEU A 99 7.656 -13.983 -2.897 1.00 0.00 C ATOM 1582 C LEU A 99 7.688 -15.504 -2.754 1.00 0.00 C ATOM 1583 O LEU A 99 8.534 -16.176 -3.311 1.00 0.00 O ATOM 1584 CB LEU A 99 9.022 -13.474 -3.411 1.00 0.00 C ATOM 1585 CG LEU A 99 9.948 -13.086 -2.260 1.00 0.00 C ATOM 1586 CD1 LEU A 99 11.404 -13.343 -2.658 1.00 0.00 C ATOM 1587 CD2 LEU A 99 9.767 -11.599 -1.948 1.00 0.00 C ATOM 0 H LEU A 99 8.012 -13.318 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 99 6.910 -13.684 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.496 -14.248 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.869 -12.613 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 99 9.702 -13.683 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.061 -13.065 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.537 -14.400 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.652 -12.747 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.426 -11.317 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.014 -11.009 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.732 -11.410 -1.664 1.00 0.00 H new ATOM 1599 N LEU A 100 6.752 -16.049 -2.015 1.00 0.00 N ATOM 1600 CA LEU A 100 6.686 -17.530 -1.827 1.00 0.00 C ATOM 1601 C LEU A 100 7.992 -18.066 -1.229 1.00 0.00 C ATOM 1602 O LEU A 100 8.285 -19.243 -1.321 1.00 0.00 O ATOM 1603 CB LEU A 100 6.453 -18.193 -3.177 1.00 0.00 C ATOM 1604 CG LEU A 100 5.148 -17.670 -3.782 1.00 0.00 C ATOM 1605 CD1 LEU A 100 5.121 -17.968 -5.282 1.00 0.00 C ATOM 1606 CD2 LEU A 100 3.960 -18.356 -3.102 1.00 0.00 C ATOM 0 H LEU A 100 6.024 -15.524 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 100 5.869 -17.756 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.287 -17.983 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.404 -19.276 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 100 5.083 -16.593 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.191 -17.595 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.966 -17.478 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.187 -19.044 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.030 -17.984 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.025 -19.433 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.978 -18.140 -2.034 1.00 0.00 H new ATOM 1618 N LYS A 101 8.774 -17.217 -0.620 1.00 0.00 N ATOM 1619 CA LYS A 101 10.061 -17.669 -0.012 1.00 0.00 C ATOM 1620 C LYS A 101 10.749 -16.474 0.644 1.00 0.00 C ATOM 1621 O LYS A 101 10.927 -16.429 1.847 1.00 0.00 O ATOM 1622 CB LYS A 101 10.969 -18.253 -1.098 1.00 0.00 C ATOM 1623 CG LYS A 101 11.730 -19.458 -0.540 1.00 0.00 C ATOM 1624 CD LYS A 101 10.769 -20.637 -0.375 1.00 0.00 C ATOM 1625 CE LYS A 101 11.339 -21.622 0.646 1.00 0.00 C ATOM 1626 NZ LYS A 101 10.482 -22.840 0.693 1.00 0.00 N ATOM 0 H LYS A 101 8.576 -16.222 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 101 9.863 -18.436 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.374 -18.554 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.672 -17.495 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.544 -19.730 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.180 -19.205 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.793 -20.281 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.620 -21.135 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.360 -21.893 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.383 -21.157 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.869 -23.510 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.516 -22.574 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.462 -23.287 -0.246 1.00 0.00 H new ATOM 1640 N GLY A 102 11.131 -15.507 -0.144 1.00 0.00 N ATOM 1641 CA GLY A 102 11.805 -14.300 0.412 1.00 0.00 C ATOM 1642 C GLY A 102 13.318 -14.496 0.399 1.00 0.00 C ATOM 1643 O GLY A 102 13.825 -15.538 0.769 1.00 0.00 O ATOM 0 H GLY A 102 11.004 -15.501 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.539 -13.421 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.462 -14.118 1.431 1.00 0.00 H new ATOM 1647 N GLU A 103 14.038 -13.487 -0.006 1.00 0.00 N ATOM 1648 CA GLU A 103 15.524 -13.577 -0.030 1.00 0.00 C ATOM 1649 C GLU A 103 16.070 -12.714 1.105 1.00 0.00 C ATOM 1650 O GLU A 103 17.033 -13.062 1.761 1.00 0.00 O ATOM 1651 CB GLU A 103 16.065 -13.079 -1.377 1.00 0.00 C ATOM 1652 CG GLU A 103 15.457 -11.715 -1.718 1.00 0.00 C ATOM 1653 CD GLU A 103 16.117 -11.168 -2.985 1.00 0.00 C ATOM 1654 OE1 GLU A 103 16.302 -11.938 -3.913 1.00 0.00 O ATOM 1655 OE2 GLU A 103 16.426 -9.988 -3.006 1.00 0.00 O ATOM 0 H GLU A 103 13.656 -12.596 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 103 15.838 -14.613 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.151 -13.001 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.827 -13.798 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.381 -11.811 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.604 -11.022 -0.890 1.00 0.00 H new ATOM 1662 N GLY A 104 15.436 -11.599 1.349 1.00 0.00 N ATOM 1663 CA GLY A 104 15.869 -10.699 2.448 1.00 0.00 C ATOM 1664 C GLY A 104 14.626 -9.981 3.001 1.00 0.00 C ATOM 1665 O GLY A 104 13.997 -10.483 3.911 1.00 0.00 O ATOM 0 H GLY A 104 14.625 -11.272 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.360 -11.270 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.595 -9.973 2.081 1.00 0.00 H new ATOM 1669 N PRO A 105 14.286 -8.833 2.439 1.00 0.00 N ATOM 1670 CA PRO A 105 13.107 -8.074 2.881 1.00 0.00 C ATOM 1671 C PRO A 105 11.840 -8.613 2.199 1.00 0.00 C ATOM 1672 O PRO A 105 11.820 -9.730 1.716 1.00 0.00 O ATOM 1673 CB PRO A 105 13.414 -6.646 2.436 1.00 0.00 C ATOM 1674 CG PRO A 105 14.446 -6.748 1.286 1.00 0.00 C ATOM 1675 CD PRO A 105 15.032 -8.174 1.338 1.00 0.00 C ATOM 0 HA PRO A 105 12.922 -8.145 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.508 -6.143 2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.814 -6.061 3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.971 -6.560 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.232 -6.002 1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.891 -8.697 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.104 -8.157 1.537 1.00 0.00 H new ATOM 1683 N LYS A 106 10.781 -7.836 2.169 1.00 0.00 N ATOM 1684 CA LYS A 106 9.518 -8.312 1.538 1.00 0.00 C ATOM 1685 C LYS A 106 8.542 -7.144 1.369 1.00 0.00 C ATOM 1686 O LYS A 106 8.763 -6.060 1.875 1.00 0.00 O ATOM 1687 CB LYS A 106 8.898 -9.366 2.450 1.00 0.00 C ATOM 1688 CG LYS A 106 8.466 -10.594 1.632 1.00 0.00 C ATOM 1689 CD LYS A 106 9.233 -11.832 2.106 1.00 0.00 C ATOM 1690 CE LYS A 106 8.771 -12.212 3.514 1.00 0.00 C ATOM 1691 NZ LYS A 106 9.538 -13.400 3.986 1.00 0.00 N ATOM 0 H LYS A 106 10.742 -6.893 2.556 1.00 0.00 H new ATOM 0 HA LYS A 106 9.729 -8.734 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.617 -9.664 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.037 -8.946 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.394 -10.756 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.656 -10.421 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.064 -12.662 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.304 -11.631 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.921 -11.375 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.704 -12.433 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.224 -13.658 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.373 -14.199 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.553 -13.173 4.004 1.00 0.00 H new ATOM 1705 N THR A 107 7.458 -7.368 0.670 1.00 0.00 N ATOM 1706 CA THR A 107 6.454 -6.291 0.462 1.00 0.00 C ATOM 1707 C THR A 107 5.243 -6.549 1.359 1.00 0.00 C ATOM 1708 O THR A 107 5.104 -7.609 1.936 1.00 0.00 O ATOM 1709 CB THR A 107 6.014 -6.305 -1.007 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.952 -7.645 -1.478 1.00 0.00 O ATOM 1711 CG2 THR A 107 7.011 -5.525 -1.858 1.00 0.00 C ATOM 0 H THR A 107 7.227 -8.260 0.232 1.00 0.00 H new ATOM 0 HA THR A 107 6.888 -5.322 0.710 1.00 0.00 H new ATOM 0 HB THR A 107 5.030 -5.842 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.669 -7.649 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.690 -5.540 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 107 7.059 -4.494 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.997 -5.983 -1.775 1.00 0.00 H new ATOM 1719 N SER A 108 4.369 -5.581 1.482 1.00 0.00 N ATOM 1720 CA SER A 108 3.153 -5.741 2.343 1.00 0.00 C ATOM 1721 C SER A 108 2.463 -4.382 2.474 1.00 0.00 C ATOM 1722 O SER A 108 3.001 -3.374 2.060 1.00 0.00 O ATOM 1723 CB SER A 108 3.555 -6.221 3.742 1.00 0.00 C ATOM 1724 OG SER A 108 4.745 -5.553 4.143 1.00 0.00 O ATOM 0 H SER A 108 4.446 -4.676 1.018 1.00 0.00 H new ATOM 0 HA SER A 108 2.485 -6.473 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.754 -6.019 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.713 -7.299 3.738 1.00 0.00 H new ATOM 0 HG SER A 108 5.005 -5.856 5.038 1.00 0.00 H new ATOM 1730 N TRP A 109 1.305 -4.336 3.086 1.00 0.00 N ATOM 1731 CA TRP A 109 0.625 -3.020 3.290 1.00 0.00 C ATOM 1732 C TRP A 109 -0.444 -3.144 4.345 1.00 0.00 C ATOM 1733 O TRP A 109 -1.116 -4.151 4.454 1.00 0.00 O ATOM 1734 CB TRP A 109 0.032 -2.428 1.990 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.124 -3.187 1.406 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.086 -3.780 0.195 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.494 -3.375 1.912 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.324 -4.330 -0.082 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.225 -4.114 0.941 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.174 -3.000 3.098 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.565 -4.459 1.136 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.518 -3.352 3.288 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.208 -4.077 2.311 1.00 0.00 C ATOM 0 H TRP A 109 0.805 -5.147 3.451 1.00 0.00 H new ATOM 0 HA TRP A 109 1.393 -2.322 3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.290 -1.406 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.823 -2.372 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.225 -3.819 -0.455 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.545 -4.835 -0.940 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.653 -2.439 3.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.098 -5.018 0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.025 -3.061 4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.243 -4.342 2.468 1.00 0.00 H new ATOM 1754 N THR A 110 -0.599 -2.114 5.136 1.00 0.00 N ATOM 1755 CA THR A 110 -1.629 -2.153 6.205 1.00 0.00 C ATOM 1756 C THR A 110 -2.482 -0.892 6.159 1.00 0.00 C ATOM 1757 O THR A 110 -2.037 0.193 6.468 1.00 0.00 O ATOM 1758 CB THR A 110 -0.969 -2.271 7.574 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.366 -1.032 7.920 1.00 0.00 O ATOM 1760 CG2 THR A 110 0.093 -3.370 7.547 1.00 0.00 C ATOM 0 H THR A 110 -0.056 -1.252 5.085 1.00 0.00 H new ATOM 0 HA THR A 110 -2.264 -3.023 6.039 1.00 0.00 H new ATOM 0 HB THR A 110 -1.726 -2.525 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.964 -0.296 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.560 -3.449 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.374 -4.321 7.290 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.851 -3.125 6.803 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.717 -1.052 5.797 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.655 0.110 5.735 1.00 0.00 C ATOM 1770 C ARG A 111 -5.259 0.303 7.120 1.00 0.00 C ATOM 1771 O ARG A 111 -5.827 -0.608 7.663 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.767 -0.194 4.721 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.229 -0.054 3.294 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.277 -0.561 2.298 1.00 0.00 C ATOM 1775 NE ARG A 111 -6.297 0.324 1.098 1.00 0.00 N ATOM 1776 CZ ARG A 111 -5.241 0.420 0.333 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -4.525 -0.639 0.066 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -4.904 1.577 -0.168 1.00 0.00 N ATOM 0 H ARG A 111 -4.129 -1.948 5.536 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.130 1.014 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.147 -1.204 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.604 0.488 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.989 0.989 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.305 -0.622 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.048 -1.585 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.261 -0.577 2.767 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.137 0.856 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.789 -1.544 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.702 -0.561 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.464 2.404 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.081 1.654 -0.765 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.143 1.468 7.707 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.723 1.659 9.070 1.00 0.00 C ATOM 1794 C GLU A 112 -6.619 2.888 9.086 1.00 0.00 C ATOM 1795 O GLU A 112 -6.435 3.810 8.325 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.600 1.820 10.096 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.186 1.754 11.509 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.056 1.815 12.541 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -2.967 1.358 12.232 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.300 2.317 13.626 1.00 0.00 O ATOM 0 H GLU A 112 -4.679 2.284 7.308 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.318 0.783 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.856 1.035 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.090 2.772 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.878 2.581 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.756 0.833 11.634 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.600 2.884 9.943 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.548 4.024 10.031 1.00 0.00 C ATOM 1809 C LEU A 113 -8.282 4.807 11.319 1.00 0.00 C ATOM 1810 O LEU A 113 -7.562 4.353 12.190 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.965 3.440 10.056 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.493 3.136 8.643 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -11.082 4.403 8.030 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.399 2.576 7.736 1.00 0.00 C ATOM 0 H LEU A 113 -7.787 2.124 10.597 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.429 4.700 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.969 2.525 10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.637 4.142 10.550 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.268 2.375 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.455 4.184 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.902 4.761 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.310 5.171 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.813 2.375 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.591 3.302 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.011 1.651 8.162 1.00 0.00 H new ATOM 1826 N THR A 114 -8.854 5.978 11.448 1.00 0.00 N ATOM 1827 CA THR A 114 -8.633 6.790 12.681 1.00 0.00 C ATOM 1828 C THR A 114 -9.781 7.785 12.859 1.00 0.00 C ATOM 1829 O THR A 114 -10.117 8.525 11.956 1.00 0.00 O ATOM 1830 CB THR A 114 -7.311 7.553 12.561 1.00 0.00 C ATOM 1831 OG1 THR A 114 -6.424 6.835 11.715 1.00 0.00 O ATOM 1832 CG2 THR A 114 -6.683 7.708 13.947 1.00 0.00 C ATOM 0 H THR A 114 -9.464 6.406 10.752 1.00 0.00 H new ATOM 0 HA THR A 114 -8.594 6.127 13.545 1.00 0.00 H new ATOM 0 HB THR A 114 -7.498 8.539 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.359 7.288 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.742 8.251 13.861 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.363 8.261 14.595 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.496 6.723 14.374 1.00 0.00 H new ATOM 1840 N ASN A 115 -10.379 7.804 14.024 1.00 0.00 N ATOM 1841 CA ASN A 115 -11.508 8.745 14.291 1.00 0.00 C ATOM 1842 C ASN A 115 -12.658 8.482 13.302 1.00 0.00 C ATOM 1843 O ASN A 115 -13.537 7.686 13.576 1.00 0.00 O ATOM 1844 CB ASN A 115 -11.008 10.191 14.175 1.00 0.00 C ATOM 1845 CG ASN A 115 -10.027 10.485 15.311 1.00 0.00 C ATOM 1846 OD1 ASN A 115 -8.831 10.337 15.150 1.00 0.00 O ATOM 1847 ND2 ASN A 115 -10.484 10.898 16.461 1.00 0.00 N ATOM 0 H ASN A 115 -10.130 7.202 14.809 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.885 8.585 15.301 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -10.521 10.342 13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -11.849 10.882 14.219 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -9.838 11.097 17.225 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.487 11.022 16.596 1.00 0.00 H new ATOM 1854 N ASP A 116 -12.665 9.136 12.163 1.00 0.00 N ATOM 1855 CA ASP A 116 -13.762 8.915 11.175 1.00 0.00 C ATOM 1856 C ASP A 116 -13.392 9.579 9.848 1.00 0.00 C ATOM 1857 O ASP A 116 -14.245 10.066 9.130 1.00 0.00 O ATOM 1858 CB ASP A 116 -15.056 9.531 11.705 1.00 0.00 C ATOM 1859 CG ASP A 116 -16.256 8.856 11.038 1.00 0.00 C ATOM 1860 OD1 ASP A 116 -16.310 7.637 11.055 1.00 0.00 O ATOM 1861 OD2 ASP A 116 -17.100 9.569 10.521 1.00 0.00 O ATOM 0 H ASP A 116 -11.957 9.813 11.878 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.903 7.845 11.022 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.112 9.409 12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.070 10.602 11.504 1.00 0.00 H new ATOM 1866 N GLY A 117 -12.126 9.599 9.520 1.00 0.00 N ATOM 1867 CA GLY A 117 -11.689 10.230 8.239 1.00 0.00 C ATOM 1868 C GLY A 117 -10.177 10.449 8.261 1.00 0.00 C ATOM 1869 O GLY A 117 -9.678 11.471 7.833 1.00 0.00 O ATOM 0 H GLY A 117 -11.374 9.205 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.961 9.593 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.202 11.181 8.098 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.449 9.485 8.745 1.00 0.00 N ATOM 1874 CA GLU A 118 -7.964 9.601 8.790 1.00 0.00 C ATOM 1875 C GLU A 118 -7.381 8.220 8.493 1.00 0.00 C ATOM 1876 O GLU A 118 -6.836 7.556 9.355 1.00 0.00 O ATOM 1877 CB GLU A 118 -7.519 10.073 10.177 1.00 0.00 C ATOM 1878 CG GLU A 118 -7.230 11.576 10.139 1.00 0.00 C ATOM 1879 CD GLU A 118 -6.333 11.953 11.320 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -5.222 11.453 11.377 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -6.773 12.736 12.146 1.00 0.00 O ATOM 0 H GLU A 118 -9.822 8.611 9.116 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.614 10.327 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.296 9.860 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.628 9.529 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.743 11.840 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.163 12.138 10.183 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.535 7.777 7.277 1.00 0.00 N ATOM 1889 CA LEU A 119 -7.048 6.427 6.883 1.00 0.00 C ATOM 1890 C LEU A 119 -5.540 6.445 6.599 1.00 0.00 C ATOM 1891 O LEU A 119 -5.108 6.889 5.557 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.803 6.012 5.619 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.694 4.499 5.398 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -9.057 3.934 4.985 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.677 4.223 4.292 1.00 0.00 C ATOM 0 H LEU A 119 -7.985 8.303 6.528 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.224 5.722 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.851 6.298 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.398 6.541 4.757 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.372 4.022 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.973 2.858 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.786 4.131 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.383 4.410 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.597 3.148 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.003 4.704 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.705 4.620 4.584 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.736 5.940 7.504 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.261 5.909 7.254 1.00 0.00 C ATOM 1909 C ILE A 120 -2.914 4.561 6.619 1.00 0.00 C ATOM 1910 O ILE A 120 -2.998 3.528 7.245 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.502 6.121 8.568 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.797 4.980 9.548 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.961 7.438 9.182 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.635 3.985 9.536 1.00 0.00 C ATOM 0 H ILE A 120 -5.035 5.551 8.398 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.968 6.711 6.577 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.431 6.141 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.939 5.377 10.553 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.723 4.477 9.270 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.431 7.607 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.748 8.255 8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.033 7.396 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.844 3.173 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.514 3.579 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.718 4.493 9.835 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.569 4.571 5.364 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.271 3.301 4.652 1.00 0.00 C ATOM 1928 C LEU A 121 -0.764 3.180 4.357 1.00 0.00 C ATOM 1929 O LEU A 121 -0.186 3.957 3.621 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.132 3.282 3.364 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.726 2.175 2.369 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.536 2.645 1.536 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.356 0.883 3.096 1.00 0.00 C ATOM 0 H LEU A 121 -2.480 5.413 4.796 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.522 2.437 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.178 3.147 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.054 4.250 2.870 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.579 1.973 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.251 1.861 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.810 3.544 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.696 2.866 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.075 0.123 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.518 1.070 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.211 0.533 3.674 1.00 0.00 H new ATOM 1945 N THR A 122 -0.145 2.183 4.940 1.00 0.00 N ATOM 1946 CA THR A 122 1.313 1.926 4.741 1.00 0.00 C ATOM 1947 C THR A 122 1.484 0.835 3.683 1.00 0.00 C ATOM 1948 O THR A 122 0.586 0.072 3.428 1.00 0.00 O ATOM 1949 CB THR A 122 1.900 1.413 6.050 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.627 2.339 7.092 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.409 1.223 5.907 1.00 0.00 C ATOM 0 H THR A 122 -0.605 1.519 5.563 1.00 0.00 H new ATOM 0 HA THR A 122 1.813 2.842 4.427 1.00 0.00 H new ATOM 0 HB THR A 122 1.444 0.453 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.004 2.006 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.820 0.856 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.611 0.501 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.874 2.176 5.655 1.00 0.00 H new ATOM 1959 N MET A 123 2.641 0.731 3.099 1.00 0.00 N ATOM 1960 CA MET A 123 2.873 -0.342 2.084 1.00 0.00 C ATOM 1961 C MET A 123 4.370 -0.583 1.955 1.00 0.00 C ATOM 1962 O MET A 123 5.061 0.093 1.219 1.00 0.00 O ATOM 1963 CB MET A 123 2.287 0.066 0.733 1.00 0.00 C ATOM 1964 CG MET A 123 2.359 -1.124 -0.234 1.00 0.00 C ATOM 1965 SD MET A 123 3.707 -0.883 -1.422 1.00 0.00 S ATOM 1966 CE MET A 123 3.899 -2.618 -1.900 1.00 0.00 C ATOM 0 H MET A 123 3.440 1.340 3.277 1.00 0.00 H new ATOM 0 HA MET A 123 2.379 -1.259 2.406 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.253 0.388 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.838 0.914 0.326 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.517 -2.047 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.412 -1.230 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.820 -2.739 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.942 -3.239 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.051 -2.923 -2.513 1.00 0.00 H new ATOM 1976 N THR A 124 4.872 -1.532 2.694 1.00 0.00 N ATOM 1977 CA THR A 124 6.337 -1.818 2.662 1.00 0.00 C ATOM 1978 C THR A 124 6.734 -2.443 1.340 1.00 0.00 C ATOM 1979 O THR A 124 5.904 -2.825 0.537 1.00 0.00 O ATOM 1980 CB THR A 124 6.758 -2.757 3.817 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.669 -4.118 3.409 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.877 -2.553 5.055 1.00 0.00 C ATOM 0 H THR A 124 4.330 -2.125 3.322 1.00 0.00 H new ATOM 0 HA THR A 124 6.852 -0.865 2.782 1.00 0.00 H new ATOM 0 HB THR A 124 7.789 -2.512 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 124 6.071 -4.603 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.200 -3.228 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.965 -1.522 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.838 -2.763 4.801 1.00 0.00 H new ATOM 1990 N ALA A 125 8.018 -2.546 1.119 1.00 0.00 N ATOM 1991 CA ALA A 125 8.501 -3.150 -0.154 1.00 0.00 C ATOM 1992 C ALA A 125 10.022 -3.295 -0.181 1.00 0.00 C ATOM 1993 O ALA A 125 10.743 -2.350 -0.419 1.00 0.00 O ATOM 1994 CB ALA A 125 8.071 -2.274 -1.323 1.00 0.00 C ATOM 0 H ALA A 125 8.748 -2.240 1.762 1.00 0.00 H new ATOM 0 HA ALA A 125 8.064 -4.146 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.423 -2.714 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.984 -2.202 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.498 -1.278 -1.208 1.00 0.00 H new ATOM 2000 N ASP A 126 10.519 -4.486 0.017 1.00 0.00 N ATOM 2001 CA ASP A 126 12.000 -4.696 -0.025 1.00 0.00 C ATOM 2002 C ASP A 126 12.655 -3.931 1.128 1.00 0.00 C ATOM 2003 O ASP A 126 13.764 -3.449 1.008 1.00 0.00 O ATOM 2004 CB ASP A 126 12.561 -4.189 -1.358 1.00 0.00 C ATOM 2005 CG ASP A 126 13.542 -5.212 -1.936 1.00 0.00 C ATOM 2006 OD1 ASP A 126 14.690 -5.202 -1.523 1.00 0.00 O ATOM 2007 OD2 ASP A 126 13.128 -5.989 -2.780 1.00 0.00 O ATOM 0 H ASP A 126 9.967 -5.323 0.206 1.00 0.00 H new ATOM 0 HA ASP A 126 12.215 -5.760 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.747 -4.015 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.064 -3.233 -1.210 1.00 0.00 H new ATOM 2012 N ASP A 127 11.952 -3.834 2.237 1.00 0.00 N ATOM 2013 CA ASP A 127 12.446 -3.127 3.478 1.00 0.00 C ATOM 2014 C ASP A 127 11.987 -1.669 3.490 1.00 0.00 C ATOM 2015 O ASP A 127 12.140 -0.986 4.487 1.00 0.00 O ATOM 2016 CB ASP A 127 13.976 -3.179 3.612 1.00 0.00 C ATOM 2017 CG ASP A 127 14.376 -2.847 5.051 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.743 -3.366 5.956 1.00 0.00 O ATOM 2019 OD2 ASP A 127 15.308 -2.079 5.223 1.00 0.00 O ATOM 0 H ASP A 127 11.018 -4.231 2.339 1.00 0.00 H new ATOM 0 HA ASP A 127 12.015 -3.656 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.342 -4.170 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.436 -2.470 2.923 1.00 0.00 H new ATOM 2024 N VAL A 128 11.413 -1.180 2.415 1.00 0.00 N ATOM 2025 CA VAL A 128 10.942 0.224 2.409 1.00 0.00 C ATOM 2026 C VAL A 128 9.560 0.270 3.052 1.00 0.00 C ATOM 2027 O VAL A 128 8.991 -0.750 3.374 1.00 0.00 O ATOM 2028 CB VAL A 128 10.881 0.744 0.961 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.215 0.477 0.259 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.758 0.049 0.187 1.00 0.00 C ATOM 0 H VAL A 128 11.255 -1.697 1.550 1.00 0.00 H new ATOM 0 HA VAL A 128 11.628 0.858 2.971 1.00 0.00 H new ATOM 0 HB VAL A 128 10.684 1.816 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.167 0.847 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 128 13.016 0.989 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.413 -0.595 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.730 0.429 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.939 -1.026 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.803 0.248 0.674 1.00 0.00 H new ATOM 2040 N VAL A 129 9.023 1.440 3.222 1.00 0.00 N ATOM 2041 CA VAL A 129 7.670 1.564 3.819 1.00 0.00 C ATOM 2042 C VAL A 129 7.043 2.884 3.374 1.00 0.00 C ATOM 2043 O VAL A 129 7.480 3.957 3.739 1.00 0.00 O ATOM 2044 CB VAL A 129 7.776 1.421 5.356 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.807 2.365 6.103 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.452 -0.034 5.731 1.00 0.00 C ATOM 0 H VAL A 129 9.467 2.323 2.971 1.00 0.00 H new ATOM 0 HA VAL A 129 7.011 0.768 3.472 1.00 0.00 H new ATOM 0 HB VAL A 129 8.789 1.693 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.920 2.226 7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.035 3.399 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.781 2.137 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.521 -0.155 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.442 -0.278 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.163 -0.702 5.245 1.00 0.00 H new ATOM 2056 N CYS A 130 6.007 2.784 2.592 1.00 0.00 N ATOM 2057 CA CYS A 130 5.304 4.003 2.102 1.00 0.00 C ATOM 2058 C CYS A 130 4.128 4.299 3.032 1.00 0.00 C ATOM 2059 O CYS A 130 3.037 3.796 2.843 1.00 0.00 O ATOM 2060 CB CYS A 130 4.786 3.761 0.682 1.00 0.00 C ATOM 2061 SG CYS A 130 4.514 5.350 -0.140 1.00 0.00 S ATOM 0 H CYS A 130 5.612 1.901 2.267 1.00 0.00 H new ATOM 0 HA CYS A 130 5.992 4.849 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.504 3.166 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.857 3.192 0.714 1.00 0.00 H new ATOM 0 HG CYS A 130 4.076 5.145 -1.347 1.00 0.00 H new ATOM 2067 N THR A 131 4.350 5.101 4.041 1.00 0.00 N ATOM 2068 CA THR A 131 3.257 5.426 5.002 1.00 0.00 C ATOM 2069 C THR A 131 2.739 6.839 4.747 1.00 0.00 C ATOM 2070 O THR A 131 3.446 7.812 4.935 1.00 0.00 O ATOM 2071 CB THR A 131 3.799 5.346 6.429 1.00 0.00 C ATOM 2072 OG1 THR A 131 4.770 4.311 6.508 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.654 5.051 7.400 1.00 0.00 C ATOM 0 H THR A 131 5.246 5.546 4.240 1.00 0.00 H new ATOM 0 HA THR A 131 2.443 4.713 4.869 1.00 0.00 H new ATOM 0 HB THR A 131 4.259 6.298 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.120 4.260 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.044 4.995 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 131 1.912 5.847 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.189 4.101 7.137 1.00 0.00 H new ATOM 2081 N ARG A 132 1.504 6.958 4.337 1.00 0.00 N ATOM 2082 CA ARG A 132 0.920 8.311 4.086 1.00 0.00 C ATOM 2083 C ARG A 132 -0.501 8.345 4.638 1.00 0.00 C ATOM 2084 O ARG A 132 -1.271 7.421 4.455 1.00 0.00 O ATOM 2085 CB ARG A 132 0.906 8.647 2.583 1.00 0.00 C ATOM 2086 CG ARG A 132 0.700 7.388 1.736 1.00 0.00 C ATOM 2087 CD ARG A 132 0.542 7.788 0.270 1.00 0.00 C ATOM 2088 NE ARG A 132 0.805 6.607 -0.600 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.145 6.779 -1.848 1.00 0.00 C ATOM 2090 NH1 ARG A 132 2.291 7.329 -2.142 1.00 0.00 N ATOM 2091 NH2 ARG A 132 0.339 6.401 -2.802 1.00 0.00 N ATOM 0 H ARG A 132 0.872 6.176 4.164 1.00 0.00 H new ATOM 0 HA ARG A 132 1.538 9.057 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.110 9.363 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.845 9.125 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.549 6.714 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -0.184 6.848 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.464 8.167 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.234 8.594 0.026 1.00 0.00 H new ATOM 0 HE ARG A 132 0.719 5.664 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.921 7.624 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.557 7.463 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.557 5.971 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.605 6.536 -3.778 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.847 9.403 5.321 1.00 0.00 N ATOM 2106 CA VAL A 133 -2.211 9.510 5.906 1.00 0.00 C ATOM 2107 C VAL A 133 -3.204 9.894 4.814 1.00 0.00 C ATOM 2108 O VAL A 133 -2.857 10.506 3.829 1.00 0.00 O ATOM 2109 CB VAL A 133 -2.204 10.581 7.011 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.633 10.856 7.498 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.352 10.089 8.185 1.00 0.00 C ATOM 0 H VAL A 133 -0.238 10.202 5.499 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.506 8.552 6.334 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.786 11.504 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.611 11.616 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.240 11.210 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.065 9.938 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.344 10.845 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.772 9.163 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.332 9.909 7.844 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.444 9.552 5.013 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.492 9.905 4.028 1.00 0.00 C ATOM 2123 C TYR A 134 -6.688 10.480 4.771 1.00 0.00 C ATOM 2124 O TYR A 134 -6.783 10.394 5.980 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.992 8.668 3.302 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.956 8.150 2.351 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.834 7.483 2.842 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -5.131 8.315 0.975 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.883 6.980 1.959 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -4.180 7.817 0.088 1.00 0.00 C ATOM 2131 CZ TYR A 134 -3.051 7.146 0.578 1.00 0.00 C ATOM 2132 OH TYR A 134 -2.108 6.648 -0.299 1.00 0.00 O ATOM 0 H TYR A 134 -4.777 9.036 5.828 1.00 0.00 H new ATOM 0 HA TYR A 134 -5.064 10.613 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -6.246 7.894 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.905 8.906 2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.703 7.357 3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -6.004 8.829 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -2.015 6.461 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -4.312 7.948 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 134 -2.379 6.849 -1.219 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.624 11.011 4.045 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.858 11.539 4.665 1.00 0.00 C ATOM 2144 C VAL A 135 -9.997 11.193 3.727 1.00 0.00 C ATOM 2145 O VAL A 135 -9.764 10.882 2.581 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.764 13.037 4.841 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -10.025 13.533 5.531 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.551 13.357 5.702 1.00 0.00 C ATOM 0 H VAL A 135 -7.583 11.102 3.030 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.014 11.104 5.652 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.663 13.525 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -9.967 14.613 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -10.894 13.288 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.119 13.053 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.474 14.436 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.659 12.878 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.650 12.986 5.213 1.00 0.00 H new ATOM 2158 N ARG A 136 -11.213 11.220 4.177 1.00 0.00 N ATOM 2159 CA ARG A 136 -12.313 10.853 3.243 1.00 0.00 C ATOM 2160 C ARG A 136 -12.691 12.061 2.395 1.00 0.00 C ATOM 2161 O ARG A 136 -13.128 13.082 2.890 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.538 10.324 3.989 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.561 8.794 3.900 1.00 0.00 C ATOM 2164 CD ARG A 136 -14.056 8.205 5.222 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.545 8.187 5.233 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.209 9.278 5.500 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.145 9.806 6.692 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -16.937 9.842 4.575 1.00 0.00 N ATOM 0 H ARG A 136 -11.493 11.473 5.125 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.954 10.052 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.507 10.639 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.449 10.739 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -14.211 8.478 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.563 8.419 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.669 7.194 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.683 8.797 6.058 1.00 0.00 H new ATOM 0 HE ARG A 136 -16.046 7.322 5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -15.576 9.366 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -16.664 10.659 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -16.987 9.430 3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -17.456 10.695 4.784 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.510 11.936 1.111 1.00 0.00 N ATOM 2183 CA GLU A 137 -12.831 13.052 0.172 1.00 0.00 C ATOM 2184 C GLU A 137 -14.276 13.523 0.379 1.00 0.00 C ATOM 2185 O GLU A 137 -15.114 12.688 0.678 1.00 0.00 O ATOM 2186 CB GLU A 137 -12.662 12.563 -1.268 1.00 0.00 C ATOM 2187 CG GLU A 137 -12.557 13.766 -2.207 1.00 0.00 C ATOM 2188 CD GLU A 137 -12.773 13.308 -3.650 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -13.919 13.230 -4.061 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -11.789 13.044 -4.321 1.00 0.00 O ATOM 2191 OXT GLU A 137 -14.517 14.711 0.236 1.00 0.00 O ATOM 0 H GLU A 137 -12.147 11.095 0.663 1.00 0.00 H new ATOM 0 HA GLU A 137 -12.155 13.885 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -11.768 11.945 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.509 11.939 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -13.300 14.517 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -11.578 14.235 -2.106 1.00 0.00 H new TER 2198 GLU A 137