USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 45 ASN : amide:sc=-0.00373 K(o=-0.29,f=-1.2) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.42) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.16 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0424 (180deg=-0.679) USER MOD Single : A 3 ASN : amide:sc= -0.889 K(o=-0.89,f=-4.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.268 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.2!) USER MOD Single : A 29 GLN : amide:sc= -0.89 K(o=-0.89,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.465 K(o=-0.47,f=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 125:sc= -0.676 USER MOD Single : A 52 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 102:sc= 1.2 USER MOD Single : A 59 SER OG : rot 180:sc= -1.03 USER MOD Single : A 61 SER OG : rot 150:sc= -0.0925 USER MOD Single : A 62 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.722 -23.360 -35.468 1.00 0.00 N ATOM 2 CA MET A 1 30.029 -23.962 -36.644 1.00 0.00 C ATOM 3 C MET A 1 29.107 -25.098 -36.190 1.00 0.00 C ATOM 4 O MET A 1 29.425 -26.263 -36.330 1.00 0.00 O ATOM 5 CB MET A 1 31.145 -24.503 -37.539 1.00 0.00 C ATOM 6 CG MET A 1 31.919 -23.338 -38.159 1.00 0.00 C ATOM 7 SD MET A 1 33.284 -23.984 -39.158 1.00 0.00 S ATOM 8 CE MET A 1 32.278 -24.692 -40.484 1.00 0.00 C ATOM 0 H1 MET A 1 31.020 -22.391 -35.699 1.00 0.00 H new ATOM 0 H2 MET A 1 30.072 -23.338 -34.656 1.00 0.00 H new ATOM 0 H3 MET A 1 31.557 -23.931 -35.227 1.00 0.00 H new ATOM 0 HA MET A 1 29.407 -23.236 -37.168 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.819 -25.131 -36.957 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.723 -25.131 -38.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.255 -22.735 -38.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.305 -22.686 -37.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.857 -24.714 -41.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.984 -25.707 -40.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.386 -24.082 -40.629 1.00 0.00 H new ATOM 20 N GLY A 2 27.967 -24.759 -35.648 1.00 0.00 N ATOM 21 CA GLY A 2 27.011 -25.804 -35.180 1.00 0.00 C ATOM 22 C GLY A 2 25.966 -26.068 -36.266 1.00 0.00 C ATOM 23 O GLY A 2 26.188 -25.803 -37.433 1.00 0.00 O ATOM 0 H GLY A 2 27.656 -23.798 -35.509 1.00 0.00 H new ATOM 0 HA2 GLY A 2 27.548 -26.724 -34.946 1.00 0.00 H new ATOM 0 HA3 GLY A 2 26.522 -25.479 -34.262 1.00 0.00 H new ATOM 27 N ASN A 3 24.829 -26.591 -35.887 1.00 0.00 N ATOM 28 CA ASN A 3 23.759 -26.882 -36.889 1.00 0.00 C ATOM 29 C ASN A 3 22.379 -26.654 -36.266 1.00 0.00 C ATOM 30 O ASN A 3 22.256 -26.420 -35.078 1.00 0.00 O ATOM 31 CB ASN A 3 23.943 -28.360 -37.259 1.00 0.00 C ATOM 32 CG ASN A 3 23.892 -29.232 -35.997 1.00 0.00 C ATOM 33 OD1 ASN A 3 23.525 -28.769 -34.935 1.00 0.00 O ATOM 34 ND2 ASN A 3 24.248 -30.485 -36.072 1.00 0.00 N ATOM 0 H ASN A 3 24.594 -26.830 -34.924 1.00 0.00 H new ATOM 0 HA ASN A 3 23.827 -26.234 -37.763 1.00 0.00 H new ATOM 0 HB2 ASN A 3 23.163 -28.668 -37.955 1.00 0.00 H new ATOM 0 HB3 ASN A 3 24.897 -28.499 -37.768 1.00 0.00 H new ATOM 0 HD21 ASN A 3 24.218 -31.074 -35.240 1.00 0.00 H new ATOM 0 HD22 ASN A 3 24.556 -30.875 -36.963 1.00 0.00 H new ATOM 41 N LYS A 4 21.341 -26.715 -37.063 1.00 0.00 N ATOM 42 CA LYS A 4 19.962 -26.499 -36.529 1.00 0.00 C ATOM 43 C LYS A 4 19.235 -27.841 -36.380 1.00 0.00 C ATOM 44 O LYS A 4 19.482 -28.776 -37.119 1.00 0.00 O ATOM 45 CB LYS A 4 19.261 -25.624 -37.574 1.00 0.00 C ATOM 46 CG LYS A 4 20.012 -24.297 -37.731 1.00 0.00 C ATOM 47 CD LYS A 4 19.930 -23.495 -36.430 1.00 0.00 C ATOM 48 CE LYS A 4 20.680 -22.171 -36.599 1.00 0.00 C ATOM 49 NZ LYS A 4 20.531 -21.478 -35.289 1.00 0.00 N ATOM 0 H LYS A 4 21.390 -26.906 -38.064 1.00 0.00 H new ATOM 0 HA LYS A 4 19.971 -26.030 -35.545 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.222 -26.145 -38.530 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.231 -25.435 -37.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.055 -24.487 -37.986 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.583 -23.721 -38.551 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.888 -23.305 -36.172 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.362 -24.068 -35.609 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.730 -22.339 -36.840 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.258 -21.578 -37.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.019 -20.560 -35.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.522 -21.326 -35.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.948 -22.063 -34.537 1.00 0.00 H new ATOM 63 N GLN A 5 18.344 -27.938 -35.426 1.00 0.00 N ATOM 64 CA GLN A 5 17.597 -29.214 -35.215 1.00 0.00 C ATOM 65 C GLN A 5 16.107 -28.926 -34.999 1.00 0.00 C ATOM 66 O GLN A 5 15.727 -27.834 -34.621 1.00 0.00 O ATOM 67 CB GLN A 5 18.209 -29.827 -33.955 1.00 0.00 C ATOM 68 CG GLN A 5 19.652 -30.254 -34.239 1.00 0.00 C ATOM 69 CD GLN A 5 20.301 -30.787 -32.957 1.00 0.00 C ATOM 70 OE1 GLN A 5 19.650 -30.930 -31.939 1.00 0.00 O ATOM 71 NE2 GLN A 5 21.572 -31.085 -32.962 1.00 0.00 N ATOM 0 H GLN A 5 18.101 -27.185 -34.782 1.00 0.00 H new ATOM 0 HA GLN A 5 17.672 -29.882 -36.073 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.187 -29.104 -33.139 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.621 -30.687 -33.635 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.667 -31.023 -35.011 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.222 -29.407 -34.621 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.120 -30.966 -33.814 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.017 -31.437 -32.114 1.00 0.00 H new ATOM 80 N ALA A 6 15.265 -29.899 -35.238 1.00 0.00 N ATOM 81 CA ALA A 6 13.797 -29.693 -35.048 1.00 0.00 C ATOM 82 C ALA A 6 13.336 -30.328 -33.731 1.00 0.00 C ATOM 83 O ALA A 6 12.214 -30.787 -33.614 1.00 0.00 O ATOM 84 CB ALA A 6 13.143 -30.394 -36.239 1.00 0.00 C ATOM 0 H ALA A 6 15.532 -30.830 -35.558 1.00 0.00 H new ATOM 0 HA ALA A 6 13.532 -28.637 -34.999 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.060 -30.288 -36.174 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.496 -29.942 -37.166 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.406 -31.452 -36.228 1.00 0.00 H new ATOM 90 N LYS A 7 14.192 -30.352 -32.741 1.00 0.00 N ATOM 91 CA LYS A 7 13.807 -30.954 -31.429 1.00 0.00 C ATOM 92 C LYS A 7 12.661 -30.156 -30.799 1.00 0.00 C ATOM 93 O LYS A 7 11.730 -30.719 -30.253 1.00 0.00 O ATOM 94 CB LYS A 7 15.063 -30.871 -30.558 1.00 0.00 C ATOM 95 CG LYS A 7 14.806 -31.578 -29.226 1.00 0.00 C ATOM 96 CD LYS A 7 16.083 -31.562 -28.384 1.00 0.00 C ATOM 97 CE LYS A 7 15.830 -32.283 -27.058 1.00 0.00 C ATOM 98 NZ LYS A 7 17.133 -32.232 -26.340 1.00 0.00 N ATOM 0 H LYS A 7 15.141 -29.981 -32.785 1.00 0.00 H new ATOM 0 HA LYS A 7 13.460 -31.982 -31.536 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.906 -31.334 -31.071 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.330 -29.829 -30.383 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.998 -31.082 -28.689 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.488 -32.605 -29.403 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.894 -32.048 -28.926 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.395 -30.534 -28.198 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.044 -31.792 -26.485 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.509 -33.312 -27.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.041 -32.707 -25.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.861 -32.713 -26.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.409 -31.240 -26.192 1.00 0.00 H new ATOM 112 N ALA A 8 12.724 -28.850 -30.872 1.00 0.00 N ATOM 113 CA ALA A 8 11.642 -28.009 -30.279 1.00 0.00 C ATOM 114 C ALA A 8 10.966 -27.167 -31.373 1.00 0.00 C ATOM 115 O ALA A 8 11.281 -26.004 -31.532 1.00 0.00 O ATOM 116 CB ALA A 8 12.345 -27.111 -29.259 1.00 0.00 C ATOM 0 H ALA A 8 13.480 -28.330 -31.318 1.00 0.00 H new ATOM 0 HA ALA A 8 10.860 -28.609 -29.814 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.612 -26.462 -28.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.831 -27.729 -28.504 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.093 -26.502 -29.766 1.00 0.00 H new ATOM 122 N PRO A 9 10.051 -27.779 -32.096 1.00 0.00 N ATOM 123 CA PRO A 9 9.336 -27.055 -33.178 1.00 0.00 C ATOM 124 C PRO A 9 8.344 -26.054 -32.580 1.00 0.00 C ATOM 125 O PRO A 9 7.826 -26.254 -31.497 1.00 0.00 O ATOM 126 CB PRO A 9 8.608 -28.164 -33.933 1.00 0.00 C ATOM 127 CG PRO A 9 8.433 -29.262 -32.933 1.00 0.00 C ATOM 128 CD PRO A 9 9.595 -29.177 -31.979 1.00 0.00 C ATOM 0 HA PRO A 9 9.999 -26.478 -33.822 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.646 -27.818 -34.312 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.186 -28.502 -34.793 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.488 -29.152 -32.401 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.410 -30.233 -33.427 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.292 -29.414 -30.959 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.385 -29.878 -32.248 1.00 0.00 H new ATOM 136 N GLU A 10 8.077 -24.980 -33.279 1.00 0.00 N ATOM 137 CA GLU A 10 7.117 -23.961 -32.758 1.00 0.00 C ATOM 138 C GLU A 10 5.687 -24.329 -33.160 1.00 0.00 C ATOM 139 O GLU A 10 5.465 -25.011 -34.144 1.00 0.00 O ATOM 140 CB GLU A 10 7.531 -22.643 -33.414 1.00 0.00 C ATOM 141 CG GLU A 10 8.899 -22.207 -32.873 1.00 0.00 C ATOM 142 CD GLU A 10 9.370 -20.926 -33.578 1.00 0.00 C ATOM 143 OE1 GLU A 10 8.616 -20.380 -34.370 1.00 0.00 O ATOM 144 OE2 GLU A 10 10.486 -20.511 -33.311 1.00 0.00 O ATOM 0 H GLU A 10 8.483 -24.765 -34.190 1.00 0.00 H new ATOM 0 HA GLU A 10 7.139 -23.897 -31.670 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.578 -22.763 -34.496 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.786 -21.874 -33.210 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.834 -22.036 -31.798 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.628 -23.003 -33.026 1.00 0.00 H new ATOM 151 N SER A 11 4.719 -23.876 -32.407 1.00 0.00 N ATOM 152 CA SER A 11 3.297 -24.185 -32.739 1.00 0.00 C ATOM 153 C SER A 11 2.379 -23.090 -32.188 1.00 0.00 C ATOM 154 O SER A 11 2.753 -22.345 -31.300 1.00 0.00 O ATOM 155 CB SER A 11 3.012 -25.522 -32.057 1.00 0.00 C ATOM 156 OG SER A 11 3.044 -25.346 -30.647 1.00 0.00 O ATOM 0 H SER A 11 4.853 -23.303 -31.574 1.00 0.00 H new ATOM 0 HA SER A 11 3.123 -24.234 -33.814 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.038 -25.900 -32.366 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.752 -26.263 -32.360 1.00 0.00 H new ATOM 0 HG SER A 11 2.860 -26.202 -30.206 1.00 0.00 H new ATOM 162 N LYS A 12 1.185 -22.985 -32.712 1.00 0.00 N ATOM 163 CA LYS A 12 0.236 -21.936 -32.226 1.00 0.00 C ATOM 164 C LYS A 12 -0.249 -22.272 -30.814 1.00 0.00 C ATOM 165 O LYS A 12 -0.629 -23.392 -30.528 1.00 0.00 O ATOM 166 CB LYS A 12 -0.931 -21.961 -33.212 1.00 0.00 C ATOM 167 CG LYS A 12 -1.898 -20.823 -32.887 1.00 0.00 C ATOM 168 CD LYS A 12 -3.054 -20.836 -33.889 1.00 0.00 C ATOM 169 CE LYS A 12 -2.542 -20.395 -35.261 1.00 0.00 C ATOM 170 NZ LYS A 12 -3.765 -20.243 -36.095 1.00 0.00 N ATOM 0 H LYS A 12 0.825 -23.581 -33.457 1.00 0.00 H new ATOM 0 HA LYS A 12 0.704 -20.953 -32.176 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.561 -21.858 -34.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.448 -22.919 -33.156 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.280 -20.935 -31.872 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.378 -19.866 -32.928 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.483 -21.836 -33.953 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.848 -20.169 -33.553 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.990 -19.457 -35.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.863 -21.135 -35.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.496 -19.942 -37.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.266 -21.153 -36.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.389 -19.528 -35.669 1.00 0.00 H new ATOM 184 N ASP A 13 -0.239 -21.305 -29.932 1.00 0.00 N ATOM 185 CA ASP A 13 -0.700 -21.554 -28.535 1.00 0.00 C ATOM 186 C ASP A 13 -2.169 -21.145 -28.379 1.00 0.00 C ATOM 187 O ASP A 13 -2.504 -19.976 -28.412 1.00 0.00 O ATOM 188 CB ASP A 13 0.200 -20.679 -27.658 1.00 0.00 C ATOM 189 CG ASP A 13 1.618 -21.263 -27.611 1.00 0.00 C ATOM 190 OD1 ASP A 13 1.769 -22.445 -27.883 1.00 0.00 O ATOM 191 OD2 ASP A 13 2.529 -20.518 -27.291 1.00 0.00 O ATOM 0 H ASP A 13 0.070 -20.351 -30.121 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.635 -22.607 -28.261 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.229 -19.663 -28.053 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.210 -20.617 -26.650 1.00 0.00 H new ATOM 196 N SER A 14 -3.042 -22.104 -28.204 1.00 0.00 N ATOM 197 CA SER A 14 -4.492 -21.787 -28.038 1.00 0.00 C ATOM 198 C SER A 14 -5.000 -22.378 -26.713 1.00 0.00 C ATOM 199 O SER A 14 -5.678 -23.385 -26.710 1.00 0.00 O ATOM 200 CB SER A 14 -5.182 -22.442 -29.234 1.00 0.00 C ATOM 201 OG SER A 14 -4.928 -21.669 -30.401 1.00 0.00 O ATOM 0 H SER A 14 -2.811 -23.097 -28.169 1.00 0.00 H new ATOM 0 HA SER A 14 -4.689 -20.716 -28.005 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.814 -23.459 -29.370 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.255 -22.513 -29.056 1.00 0.00 H new ATOM 0 HG SER A 14 -5.367 -22.086 -31.172 1.00 0.00 H new ATOM 207 N PRO A 15 -4.642 -21.736 -25.619 1.00 0.00 N ATOM 208 CA PRO A 15 -5.066 -22.227 -24.283 1.00 0.00 C ATOM 209 C PRO A 15 -6.559 -21.964 -24.057 1.00 0.00 C ATOM 210 O PRO A 15 -7.078 -20.928 -24.430 1.00 0.00 O ATOM 211 CB PRO A 15 -4.213 -21.411 -23.313 1.00 0.00 C ATOM 212 CG PRO A 15 -3.867 -20.160 -24.055 1.00 0.00 C ATOM 213 CD PRO A 15 -3.830 -20.508 -25.520 1.00 0.00 C ATOM 0 HA PRO A 15 -4.931 -23.302 -24.161 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.761 -21.188 -22.398 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.316 -21.957 -23.022 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.606 -19.382 -23.863 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.903 -19.772 -23.727 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.244 -19.706 -26.131 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.809 -20.676 -25.864 1.00 0.00 H new ATOM 221 N ARG A 16 -7.248 -22.895 -23.445 1.00 0.00 N ATOM 222 CA ARG A 16 -8.708 -22.702 -23.187 1.00 0.00 C ATOM 223 C ARG A 16 -8.921 -21.599 -22.147 1.00 0.00 C ATOM 224 O ARG A 16 -9.834 -20.801 -22.253 1.00 0.00 O ATOM 225 CB ARG A 16 -9.206 -24.047 -22.656 1.00 0.00 C ATOM 226 CG ARG A 16 -9.196 -25.075 -23.788 1.00 0.00 C ATOM 227 CD ARG A 16 -9.670 -26.431 -23.259 1.00 0.00 C ATOM 228 NE ARG A 16 -9.631 -27.344 -24.437 1.00 0.00 N ATOM 229 CZ ARG A 16 -9.891 -28.613 -24.287 1.00 0.00 C ATOM 230 NH1 ARG A 16 -10.903 -28.989 -23.553 1.00 0.00 N ATOM 231 NH2 ARG A 16 -9.140 -29.507 -24.870 1.00 0.00 N ATOM 0 H ARG A 16 -6.863 -23.779 -23.113 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.246 -22.399 -24.085 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.571 -24.385 -21.837 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.214 -23.941 -22.255 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.845 -24.743 -24.599 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.191 -25.166 -24.201 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.022 -26.791 -22.460 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.677 -26.363 -22.846 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.401 -26.976 -25.360 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.490 -28.290 -23.097 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.107 -29.981 -23.435 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.349 -29.213 -25.443 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.344 -30.499 -24.752 1.00 0.00 H new ATOM 245 N ALA A 17 -8.084 -21.556 -21.141 1.00 0.00 N ATOM 246 CA ALA A 17 -8.232 -20.513 -20.085 1.00 0.00 C ATOM 247 C ALA A 17 -6.888 -20.248 -19.400 1.00 0.00 C ATOM 248 O ALA A 17 -6.058 -21.131 -19.277 1.00 0.00 O ATOM 249 CB ALA A 17 -9.234 -21.097 -19.088 1.00 0.00 C ATOM 0 H ALA A 17 -7.304 -22.200 -21.007 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.569 -19.561 -20.495 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.397 -20.387 -18.278 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.179 -21.293 -19.594 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.841 -22.028 -18.680 1.00 0.00 H new ATOM 255 N SER A 18 -6.674 -19.038 -18.952 1.00 0.00 N ATOM 256 CA SER A 18 -5.390 -18.705 -18.270 1.00 0.00 C ATOM 257 C SER A 18 -5.485 -19.037 -16.782 1.00 0.00 C ATOM 258 O SER A 18 -6.539 -19.378 -16.280 1.00 0.00 O ATOM 259 CB SER A 18 -5.202 -17.202 -18.470 1.00 0.00 C ATOM 260 OG SER A 18 -4.069 -16.769 -17.729 1.00 0.00 O ATOM 0 H SER A 18 -7.335 -18.265 -19.030 1.00 0.00 H new ATOM 0 HA SER A 18 -4.552 -19.274 -18.674 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.066 -16.978 -19.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.092 -16.665 -18.142 1.00 0.00 H new ATOM 0 HG SER A 18 -3.944 -15.805 -17.856 1.00 0.00 H new ATOM 266 N LEU A 19 -4.387 -18.954 -16.081 1.00 0.00 N ATOM 267 CA LEU A 19 -4.403 -19.269 -14.624 1.00 0.00 C ATOM 268 C LEU A 19 -4.688 -18.020 -13.807 1.00 0.00 C ATOM 269 O LEU A 19 -3.798 -17.287 -13.429 1.00 0.00 O ATOM 270 CB LEU A 19 -3.016 -19.833 -14.330 1.00 0.00 C ATOM 271 CG LEU A 19 -3.078 -21.363 -14.409 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.944 -21.903 -13.266 1.00 0.00 C ATOM 273 CD2 LEU A 19 -3.669 -21.813 -15.765 1.00 0.00 C ATOM 0 H LEU A 19 -3.478 -18.681 -16.455 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.186 -19.979 -14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.292 -19.447 -15.047 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.683 -19.519 -13.341 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.066 -21.758 -14.320 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.987 -22.991 -13.324 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.511 -21.607 -12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.952 -21.496 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.705 -22.902 -15.803 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.677 -21.412 -15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.042 -21.442 -16.576 1.00 0.00 H new ATOM 285 N ILE A 20 -5.941 -17.790 -13.533 1.00 0.00 N ATOM 286 CA ILE A 20 -6.341 -16.595 -12.743 1.00 0.00 C ATOM 287 C ILE A 20 -7.810 -16.743 -12.293 1.00 0.00 C ATOM 288 O ILE A 20 -8.648 -15.939 -12.650 1.00 0.00 O ATOM 289 CB ILE A 20 -6.141 -15.409 -13.696 1.00 0.00 C ATOM 290 CG1 ILE A 20 -6.556 -14.116 -12.994 1.00 0.00 C ATOM 291 CG2 ILE A 20 -6.969 -15.595 -14.972 1.00 0.00 C ATOM 292 CD1 ILE A 20 -5.674 -12.974 -13.498 1.00 0.00 C ATOM 0 H ILE A 20 -6.714 -18.387 -13.827 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.757 -16.461 -11.833 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.088 -15.355 -13.973 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.605 -13.898 -13.194 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.453 -14.224 -11.914 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.813 -14.743 -15.634 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.658 -16.509 -15.477 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.026 -15.665 -14.713 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.962 -12.046 -13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.630 -13.195 -13.276 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.800 -12.865 -14.575 1.00 0.00 H new ATOM 304 N PRO A 21 -8.077 -17.781 -11.519 1.00 0.00 N ATOM 305 CA PRO A 21 -9.456 -18.025 -11.023 1.00 0.00 C ATOM 306 C PRO A 21 -9.811 -17.012 -9.934 1.00 0.00 C ATOM 307 O PRO A 21 -8.943 -16.493 -9.259 1.00 0.00 O ATOM 308 CB PRO A 21 -9.393 -19.438 -10.450 1.00 0.00 C ATOM 309 CG PRO A 21 -7.957 -19.645 -10.088 1.00 0.00 C ATOM 310 CD PRO A 21 -7.134 -18.807 -11.034 1.00 0.00 C ATOM 0 HA PRO A 21 -10.215 -17.923 -11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.039 -19.539 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.726 -20.175 -11.180 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.774 -19.350 -9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.687 -20.698 -10.172 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.280 -18.356 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.738 -19.405 -11.855 1.00 0.00 H new ATOM 318 N ASP A 22 -11.080 -16.728 -9.754 1.00 0.00 N ATOM 319 CA ASP A 22 -11.499 -15.744 -8.702 1.00 0.00 C ATOM 320 C ASP A 22 -10.710 -14.434 -8.849 1.00 0.00 C ATOM 321 O ASP A 22 -9.932 -14.271 -9.772 1.00 0.00 O ATOM 322 CB ASP A 22 -11.171 -16.422 -7.363 1.00 0.00 C ATOM 323 CG ASP A 22 -12.177 -17.546 -7.082 1.00 0.00 C ATOM 324 OD1 ASP A 22 -13.245 -17.533 -7.675 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.857 -18.408 -6.279 1.00 0.00 O ATOM 0 H ASP A 22 -11.845 -17.136 -10.291 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.555 -15.487 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.159 -16.827 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.200 -15.688 -6.558 1.00 0.00 H new ATOM 330 N ALA A 23 -10.902 -13.508 -7.946 1.00 0.00 N ATOM 331 CA ALA A 23 -10.158 -12.217 -8.029 1.00 0.00 C ATOM 332 C ALA A 23 -9.363 -11.998 -6.743 1.00 0.00 C ATOM 333 O ALA A 23 -9.898 -12.068 -5.651 1.00 0.00 O ATOM 334 CB ALA A 23 -11.235 -11.144 -8.192 1.00 0.00 C ATOM 0 H ALA A 23 -11.541 -13.590 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.446 -12.196 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.764 -10.163 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.806 -11.336 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.904 -11.166 -7.332 1.00 0.00 H new ATOM 340 N THR A 24 -8.088 -11.738 -6.866 1.00 0.00 N ATOM 341 CA THR A 24 -7.249 -11.518 -5.651 1.00 0.00 C ATOM 342 C THR A 24 -6.124 -10.524 -5.958 1.00 0.00 C ATOM 343 O THR A 24 -5.686 -10.395 -7.086 1.00 0.00 O ATOM 344 CB THR A 24 -6.673 -12.896 -5.305 1.00 0.00 C ATOM 345 OG1 THR A 24 -5.818 -12.776 -4.178 1.00 0.00 O ATOM 346 CG2 THR A 24 -5.872 -13.445 -6.490 1.00 0.00 C ATOM 0 H THR A 24 -7.592 -11.668 -7.754 1.00 0.00 H new ATOM 0 HA THR A 24 -7.824 -11.101 -4.824 1.00 0.00 H new ATOM 0 HB THR A 24 -7.492 -13.579 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.449 -13.655 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.467 -14.424 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.524 -13.538 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.053 -12.764 -6.723 1.00 0.00 H new ATOM 354 N HIS A 25 -5.662 -9.823 -4.958 1.00 0.00 N ATOM 355 CA HIS A 25 -4.563 -8.831 -5.169 1.00 0.00 C ATOM 356 C HIS A 25 -3.603 -8.822 -3.972 1.00 0.00 C ATOM 357 O HIS A 25 -2.795 -7.923 -3.826 1.00 0.00 O ATOM 358 CB HIS A 25 -5.272 -7.477 -5.309 1.00 0.00 C ATOM 359 CG HIS A 25 -6.099 -7.201 -4.077 1.00 0.00 C ATOM 360 ND1 HIS A 25 -7.255 -7.913 -3.789 1.00 0.00 N ATOM 361 CD2 HIS A 25 -5.941 -6.309 -3.044 1.00 0.00 C ATOM 362 CE1 HIS A 25 -7.745 -7.442 -2.626 1.00 0.00 C ATOM 363 NE2 HIS A 25 -6.980 -6.468 -2.134 1.00 0.00 N ATOM 0 H HIS A 25 -5.999 -9.894 -3.998 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.960 -9.068 -6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.537 -6.684 -5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.910 -7.480 -6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.135 -5.596 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.644 -7.807 -2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -7.126 -5.947 -1.269 1.00 0.00 H new ATOM 372 N LEU A 26 -3.680 -9.815 -3.119 1.00 0.00 N ATOM 373 CA LEU A 26 -2.772 -9.865 -1.939 1.00 0.00 C ATOM 374 C LEU A 26 -2.359 -11.311 -1.646 1.00 0.00 C ATOM 375 O LEU A 26 -3.136 -12.090 -1.126 1.00 0.00 O ATOM 376 CB LEU A 26 -3.593 -9.301 -0.784 1.00 0.00 C ATOM 377 CG LEU A 26 -3.629 -7.777 -0.885 1.00 0.00 C ATOM 378 CD1 LEU A 26 -4.678 -7.224 0.079 1.00 0.00 C ATOM 379 CD2 LEU A 26 -2.251 -7.221 -0.517 1.00 0.00 C ATOM 0 H LEU A 26 -4.335 -10.593 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.854 -9.300 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.606 -9.703 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.157 -9.603 0.168 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.887 -7.481 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.702 -6.137 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.657 -7.627 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.424 -7.513 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.267 -6.133 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.000 -7.516 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.503 -7.617 -1.204 1.00 0.00 H new ATOM 391 N GLY A 27 -1.144 -11.671 -1.971 1.00 0.00 N ATOM 392 CA GLY A 27 -0.682 -13.068 -1.706 1.00 0.00 C ATOM 393 C GLY A 27 0.839 -13.160 -1.897 1.00 0.00 C ATOM 394 O GLY A 27 1.563 -13.354 -0.941 1.00 0.00 O ATOM 0 H GLY A 27 -0.453 -11.061 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.948 -13.362 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.185 -13.761 -2.381 1.00 0.00 H new ATOM 398 N PRO A 28 1.284 -13.021 -3.126 1.00 0.00 N ATOM 399 CA PRO A 28 2.740 -13.100 -3.413 1.00 0.00 C ATOM 400 C PRO A 28 3.467 -11.889 -2.828 1.00 0.00 C ATOM 401 O PRO A 28 2.943 -10.790 -2.806 1.00 0.00 O ATOM 402 CB PRO A 28 2.808 -13.101 -4.939 1.00 0.00 C ATOM 403 CG PRO A 28 1.548 -12.430 -5.376 1.00 0.00 C ATOM 404 CD PRO A 28 0.500 -12.774 -4.351 1.00 0.00 C ATOM 0 HA PRO A 28 3.217 -13.976 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.687 -12.564 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.873 -14.116 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.686 -11.351 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.249 -12.774 -6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.211 -11.959 -4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.075 -13.653 -4.644 1.00 0.00 H new ATOM 412 N GLN A 29 4.672 -12.086 -2.361 1.00 0.00 N ATOM 413 CA GLN A 29 5.444 -10.951 -1.785 1.00 0.00 C ATOM 414 C GLN A 29 6.772 -10.783 -2.518 1.00 0.00 C ATOM 415 O GLN A 29 7.772 -11.382 -2.171 1.00 0.00 O ATOM 416 CB GLN A 29 5.672 -11.309 -0.319 1.00 0.00 C ATOM 417 CG GLN A 29 4.396 -11.018 0.471 1.00 0.00 C ATOM 418 CD GLN A 29 4.577 -11.462 1.924 1.00 0.00 C ATOM 419 OE1 GLN A 29 5.241 -12.443 2.193 1.00 0.00 O ATOM 420 NE2 GLN A 29 4.006 -10.778 2.879 1.00 0.00 N ATOM 0 H GLN A 29 5.153 -12.985 -2.355 1.00 0.00 H new ATOM 0 HA GLN A 29 4.910 -10.006 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.940 -12.361 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.504 -10.731 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.167 -9.953 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.552 -11.542 0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.448 -9.954 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.118 -11.068 3.851 1.00 0.00 H new ATOM 429 N PHE A 30 6.779 -9.956 -3.524 1.00 0.00 N ATOM 430 CA PHE A 30 8.029 -9.707 -4.297 1.00 0.00 C ATOM 431 C PHE A 30 8.145 -8.215 -4.599 1.00 0.00 C ATOM 432 O PHE A 30 7.426 -7.692 -5.432 1.00 0.00 O ATOM 433 CB PHE A 30 7.861 -10.500 -5.593 1.00 0.00 C ATOM 434 CG PHE A 30 9.104 -10.354 -6.444 1.00 0.00 C ATOM 435 CD1 PHE A 30 9.288 -9.204 -7.226 1.00 0.00 C ATOM 436 CD2 PHE A 30 10.072 -11.365 -6.451 1.00 0.00 C ATOM 437 CE1 PHE A 30 10.438 -9.068 -8.012 1.00 0.00 C ATOM 438 CE2 PHE A 30 11.223 -11.228 -7.239 1.00 0.00 C ATOM 439 CZ PHE A 30 11.405 -10.080 -8.019 1.00 0.00 C ATOM 0 H PHE A 30 5.964 -9.436 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 30 8.926 -10.007 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.684 -11.552 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.989 -10.141 -6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.542 -8.423 -7.222 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.932 -12.251 -5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.579 -8.182 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.970 -12.008 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.292 -9.975 -8.626 1.00 0.00 H new ATOM 449 N CYS A 31 9.036 -7.523 -3.934 1.00 0.00 N ATOM 450 CA CYS A 31 9.177 -6.063 -4.204 1.00 0.00 C ATOM 451 C CYS A 31 9.884 -5.862 -5.541 1.00 0.00 C ATOM 452 O CYS A 31 11.056 -6.140 -5.680 1.00 0.00 O ATOM 453 CB CYS A 31 10.024 -5.499 -3.065 1.00 0.00 C ATOM 454 SG CYS A 31 9.767 -3.708 -2.984 1.00 0.00 S ATOM 0 H CYS A 31 9.664 -7.901 -3.225 1.00 0.00 H new ATOM 0 HA CYS A 31 8.210 -5.563 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.744 -5.964 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.078 -5.723 -3.231 1.00 0.00 H new ATOM 459 N LYS A 32 9.174 -5.378 -6.518 1.00 0.00 N ATOM 460 CA LYS A 32 9.792 -5.146 -7.857 1.00 0.00 C ATOM 461 C LYS A 32 10.280 -3.694 -7.987 1.00 0.00 C ATOM 462 O LYS A 32 10.960 -3.349 -8.937 1.00 0.00 O ATOM 463 CB LYS A 32 8.674 -5.438 -8.870 1.00 0.00 C ATOM 464 CG LYS A 32 7.558 -4.389 -8.751 1.00 0.00 C ATOM 465 CD LYS A 32 6.458 -4.683 -9.769 1.00 0.00 C ATOM 466 CE LYS A 32 5.354 -3.635 -9.625 1.00 0.00 C ATOM 467 NZ LYS A 32 4.346 -3.995 -10.659 1.00 0.00 N ATOM 0 H LYS A 32 8.187 -5.131 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 32 10.664 -5.780 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.080 -5.433 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.266 -6.434 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.144 -4.398 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.965 -3.392 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.866 -4.664 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.053 -5.682 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.919 -3.654 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.741 -2.629 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.555 -3.320 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.787 -3.962 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.990 -4.955 -10.477 1.00 0.00 H new ATOM 481 N SER A 33 9.911 -2.836 -7.060 1.00 0.00 N ATOM 482 CA SER A 33 10.332 -1.406 -7.159 1.00 0.00 C ATOM 483 C SER A 33 11.831 -1.242 -6.890 1.00 0.00 C ATOM 484 O SER A 33 12.567 -0.804 -7.753 1.00 0.00 O ATOM 485 CB SER A 33 9.526 -0.691 -6.078 1.00 0.00 C ATOM 486 OG SER A 33 9.394 0.683 -6.416 1.00 0.00 O ATOM 0 H SER A 33 9.341 -3.066 -6.246 1.00 0.00 H new ATOM 0 HA SER A 33 10.155 -1.005 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.542 -1.149 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.022 -0.793 -5.113 1.00 0.00 H new ATOM 0 HG SER A 33 8.875 1.142 -5.723 1.00 0.00 H new ATOM 492 N CYS A 34 12.297 -1.578 -5.708 1.00 0.00 N ATOM 493 CA CYS A 34 13.757 -1.420 -5.430 1.00 0.00 C ATOM 494 C CYS A 34 14.577 -2.575 -6.022 1.00 0.00 C ATOM 495 O CYS A 34 15.586 -2.350 -6.659 1.00 0.00 O ATOM 496 CB CYS A 34 13.922 -1.315 -3.904 1.00 0.00 C ATOM 497 SG CYS A 34 13.274 -2.772 -3.054 1.00 0.00 S ATOM 0 H CYS A 34 11.739 -1.948 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 34 14.140 -0.519 -5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.977 -1.192 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.406 -0.425 -3.543 1.00 0.00 H new ATOM 502 N TRP A 35 14.159 -3.811 -5.816 1.00 0.00 N ATOM 503 CA TRP A 35 14.923 -4.998 -6.352 1.00 0.00 C ATOM 504 C TRP A 35 14.366 -6.289 -5.735 1.00 0.00 C ATOM 505 O TRP A 35 13.398 -6.267 -5.003 1.00 0.00 O ATOM 506 CB TRP A 35 16.403 -4.833 -5.928 1.00 0.00 C ATOM 507 CG TRP A 35 16.492 -4.390 -4.497 1.00 0.00 C ATOM 508 CD1 TRP A 35 16.015 -5.085 -3.443 1.00 0.00 C ATOM 509 CD2 TRP A 35 17.079 -3.170 -3.953 1.00 0.00 C ATOM 510 NE1 TRP A 35 16.272 -4.375 -2.285 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.927 -3.188 -2.546 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.724 -2.061 -4.534 1.00 0.00 C ATOM 513 CZ2 TRP A 35 17.396 -2.146 -1.745 1.00 0.00 C ATOM 514 CZ3 TRP A 35 18.197 -1.010 -3.729 1.00 0.00 C ATOM 515 CH2 TRP A 35 18.033 -1.054 -2.338 1.00 0.00 C ATOM 0 H TRP A 35 13.315 -4.050 -5.296 1.00 0.00 H new ATOM 0 HA TRP A 35 14.831 -5.053 -7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.932 -5.777 -6.056 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.893 -4.103 -6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.514 -6.040 -3.496 1.00 0.00 H new ATOM 0 HE1 TRP A 35 16.010 -4.690 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.856 -2.018 -5.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 17.267 -2.184 -0.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.690 -0.164 -4.185 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.399 -0.244 -1.725 1.00 0.00 H new ATOM 526 N PHE A 36 14.984 -7.409 -6.013 1.00 0.00 N ATOM 527 CA PHE A 36 14.508 -8.708 -5.438 1.00 0.00 C ATOM 528 C PHE A 36 15.278 -9.027 -4.147 1.00 0.00 C ATOM 529 O PHE A 36 16.495 -9.072 -4.133 1.00 0.00 O ATOM 530 CB PHE A 36 14.801 -9.735 -6.545 1.00 0.00 C ATOM 531 CG PHE A 36 14.665 -11.159 -6.039 1.00 0.00 C ATOM 532 CD1 PHE A 36 13.522 -11.562 -5.341 1.00 0.00 C ATOM 533 CD2 PHE A 36 15.694 -12.079 -6.284 1.00 0.00 C ATOM 534 CE1 PHE A 36 13.405 -12.883 -4.891 1.00 0.00 C ATOM 535 CE2 PHE A 36 15.576 -13.399 -5.834 1.00 0.00 C ATOM 536 CZ PHE A 36 14.432 -13.800 -5.136 1.00 0.00 C ATOM 0 H PHE A 36 15.803 -7.482 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 36 13.453 -8.699 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.116 -9.578 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 36 15.810 -9.580 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.729 -10.854 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.579 -11.769 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.521 -13.194 -4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.368 -14.108 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.342 -14.818 -4.786 1.00 0.00 H new ATOM 546 N GLU A 37 14.572 -9.256 -3.070 1.00 0.00 N ATOM 547 CA GLU A 37 15.248 -9.578 -1.780 1.00 0.00 C ATOM 548 C GLU A 37 14.243 -10.172 -0.783 1.00 0.00 C ATOM 549 O GLU A 37 14.559 -11.078 -0.037 1.00 0.00 O ATOM 550 CB GLU A 37 15.784 -8.245 -1.262 1.00 0.00 C ATOM 551 CG GLU A 37 16.643 -8.496 -0.020 1.00 0.00 C ATOM 552 CD GLU A 37 17.942 -9.207 -0.418 1.00 0.00 C ATOM 553 OE1 GLU A 37 18.333 -9.099 -1.569 1.00 0.00 O ATOM 554 OE2 GLU A 37 18.524 -9.852 0.440 1.00 0.00 O ATOM 0 H GLU A 37 13.553 -9.234 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 37 16.042 -10.314 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.375 -7.752 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.958 -7.577 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.872 -7.550 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.091 -9.103 0.698 1.00 0.00 H new ATOM 561 N ASN A 38 13.029 -9.663 -0.762 1.00 0.00 N ATOM 562 CA ASN A 38 11.994 -10.187 0.192 1.00 0.00 C ATOM 563 C ASN A 38 12.497 -10.051 1.635 1.00 0.00 C ATOM 564 O ASN A 38 12.113 -10.803 2.511 1.00 0.00 O ATOM 565 CB ASN A 38 11.808 -11.666 -0.178 1.00 0.00 C ATOM 566 CG ASN A 38 10.421 -12.148 0.253 1.00 0.00 C ATOM 567 OD1 ASN A 38 10.023 -11.968 1.387 1.00 0.00 O ATOM 568 ND2 ASN A 38 9.664 -12.757 -0.618 1.00 0.00 N ATOM 0 H ASN A 38 12.711 -8.905 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 38 11.056 -9.637 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.929 -11.797 -1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.577 -12.269 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.736 -13.083 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.000 -12.907 -1.569 1.00 0.00 H new ATOM 575 N LYS A 39 13.356 -9.094 1.879 1.00 0.00 N ATOM 576 CA LYS A 39 13.900 -8.891 3.260 1.00 0.00 C ATOM 577 C LYS A 39 12.804 -8.419 4.225 1.00 0.00 C ATOM 578 O LYS A 39 12.665 -8.932 5.319 1.00 0.00 O ATOM 579 CB LYS A 39 14.979 -7.818 3.103 1.00 0.00 C ATOM 580 CG LYS A 39 15.684 -7.602 4.442 1.00 0.00 C ATOM 581 CD LYS A 39 16.799 -6.569 4.269 1.00 0.00 C ATOM 582 CE LYS A 39 17.514 -6.365 5.606 1.00 0.00 C ATOM 583 NZ LYS A 39 18.578 -5.363 5.320 1.00 0.00 N ATOM 0 H LYS A 39 13.707 -8.440 1.179 1.00 0.00 H new ATOM 0 HA LYS A 39 14.294 -9.817 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.701 -8.122 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.531 -6.885 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.969 -7.260 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.098 -8.543 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.508 -6.906 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.384 -5.624 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.827 -6.004 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.939 -7.299 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.115 -5.169 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.221 -5.737 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.143 -4.483 4.978 1.00 0.00 H new ATOM 597 N GLY A 40 12.032 -7.440 3.827 1.00 0.00 N ATOM 598 CA GLY A 40 10.948 -6.922 4.717 1.00 0.00 C ATOM 599 C GLY A 40 9.855 -6.281 3.860 1.00 0.00 C ATOM 600 O GLY A 40 9.514 -5.126 4.031 1.00 0.00 O ATOM 0 H GLY A 40 12.106 -6.976 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.530 -7.734 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.354 -6.191 5.416 1.00 0.00 H new ATOM 604 N LEU A 41 9.320 -7.024 2.927 1.00 0.00 N ATOM 605 CA LEU A 41 8.261 -6.469 2.032 1.00 0.00 C ATOM 606 C LEU A 41 6.988 -6.157 2.819 1.00 0.00 C ATOM 607 O LEU A 41 6.567 -6.908 3.676 1.00 0.00 O ATOM 608 CB LEU A 41 7.998 -7.565 0.994 1.00 0.00 C ATOM 609 CG LEU A 41 6.898 -7.122 0.023 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.411 -5.991 -0.872 1.00 0.00 C ATOM 611 CD2 LEU A 41 6.494 -8.309 -0.846 1.00 0.00 C ATOM 0 H LEU A 41 9.572 -7.996 2.745 1.00 0.00 H new ATOM 0 HA LEU A 41 8.574 -5.533 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.913 -7.782 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.702 -8.487 1.495 1.00 0.00 H new ATOM 0 HG LEU A 41 6.039 -6.764 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.622 -5.684 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.705 -5.143 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.272 -6.340 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.711 -8.002 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.360 -8.660 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.122 -9.114 -0.212 1.00 0.00 H new ATOM 623 N VAL A 42 6.364 -5.056 2.498 1.00 0.00 N ATOM 624 CA VAL A 42 5.097 -4.669 3.175 1.00 0.00 C ATOM 625 C VAL A 42 3.982 -4.730 2.136 1.00 0.00 C ATOM 626 O VAL A 42 4.100 -4.172 1.058 1.00 0.00 O ATOM 627 CB VAL A 42 5.317 -3.236 3.661 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.059 -2.732 4.371 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.497 -3.201 4.634 1.00 0.00 C ATOM 0 H VAL A 42 6.684 -4.401 1.785 1.00 0.00 H new ATOM 0 HA VAL A 42 4.828 -5.318 4.008 1.00 0.00 H new ATOM 0 HB VAL A 42 5.530 -2.596 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.220 -1.711 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.217 -2.753 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.842 -3.373 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.653 -2.179 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.284 -3.845 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.396 -3.554 4.129 1.00 0.00 H new ATOM 639 N GLU A 43 2.921 -5.430 2.428 1.00 0.00 N ATOM 640 CA GLU A 43 1.824 -5.558 1.429 1.00 0.00 C ATOM 641 C GLU A 43 0.887 -4.355 1.420 1.00 0.00 C ATOM 642 O GLU A 43 0.009 -4.228 2.251 1.00 0.00 O ATOM 643 CB GLU A 43 1.053 -6.817 1.829 1.00 0.00 C ATOM 644 CG GLU A 43 1.874 -8.059 1.468 1.00 0.00 C ATOM 645 CD GLU A 43 1.161 -9.334 1.946 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.080 -9.225 2.507 1.00 0.00 O ATOM 647 OE2 GLU A 43 1.712 -10.402 1.740 1.00 0.00 O ATOM 0 H GLU A 43 2.767 -5.917 3.311 1.00 0.00 H new ATOM 0 HA GLU A 43 2.239 -5.614 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.846 -6.804 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.090 -6.844 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.024 -8.102 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.862 -7.995 1.925 1.00 0.00 H new ATOM 654 N CYS A 44 1.016 -3.519 0.420 1.00 0.00 N ATOM 655 CA CYS A 44 0.073 -2.369 0.260 1.00 0.00 C ATOM 656 C CYS A 44 -1.281 -3.006 -0.070 1.00 0.00 C ATOM 657 O CYS A 44 -1.344 -4.217 -0.224 1.00 0.00 O ATOM 658 CB CYS A 44 0.607 -1.571 -0.934 1.00 0.00 C ATOM 659 SG CYS A 44 0.446 0.208 -0.652 1.00 0.00 S ATOM 0 H CYS A 44 1.739 -3.584 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.020 -1.719 1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.654 -1.822 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.062 -1.850 -1.835 1.00 0.00 H new ATOM 664 N ASN A 45 -2.364 -2.264 -0.166 1.00 0.00 N ATOM 665 CA ASN A 45 -3.671 -2.940 -0.478 1.00 0.00 C ATOM 666 C ASN A 45 -3.511 -3.832 -1.730 1.00 0.00 C ATOM 667 O ASN A 45 -3.466 -5.041 -1.626 1.00 0.00 O ATOM 668 CB ASN A 45 -4.662 -1.799 -0.743 1.00 0.00 C ATOM 669 CG ASN A 45 -6.033 -2.379 -1.108 1.00 0.00 C ATOM 670 OD1 ASN A 45 -6.284 -2.699 -2.253 1.00 0.00 O ATOM 671 ND2 ASN A 45 -6.933 -2.534 -0.175 1.00 0.00 N ATOM 0 H ASN A 45 -2.403 -1.252 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.012 -3.584 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.748 -1.166 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.296 -1.168 -1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.847 -2.924 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.723 -2.265 0.786 1.00 0.00 H new ATOM 678 N ASN A 46 -3.382 -3.245 -2.889 1.00 0.00 N ATOM 679 CA ASN A 46 -3.174 -4.052 -4.136 1.00 0.00 C ATOM 680 C ASN A 46 -1.741 -3.862 -4.678 1.00 0.00 C ATOM 681 O ASN A 46 -1.519 -3.927 -5.873 1.00 0.00 O ATOM 682 CB ASN A 46 -4.218 -3.535 -5.126 1.00 0.00 C ATOM 683 CG ASN A 46 -3.994 -2.041 -5.380 1.00 0.00 C ATOM 684 OD1 ASN A 46 -4.731 -1.212 -4.886 1.00 0.00 O ATOM 685 ND2 ASN A 46 -2.998 -1.666 -6.133 1.00 0.00 N ATOM 0 H ASN A 46 -3.411 -2.235 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.288 -5.121 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.149 -4.087 -6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.221 -3.700 -4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.836 -0.674 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.380 -2.364 -6.547 1.00 0.00 H new ATOM 692 N HIS A 47 -0.785 -3.575 -3.828 1.00 0.00 N ATOM 693 CA HIS A 47 0.616 -3.318 -4.315 1.00 0.00 C ATOM 694 C HIS A 47 1.654 -3.825 -3.283 1.00 0.00 C ATOM 695 O HIS A 47 1.394 -3.843 -2.102 1.00 0.00 O ATOM 696 CB HIS A 47 0.612 -1.773 -4.482 1.00 0.00 C ATOM 697 CG HIS A 47 1.975 -1.155 -4.266 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.149 0.038 -3.561 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.235 -1.549 -4.642 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.466 0.307 -3.539 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.166 -0.627 -4.183 1.00 0.00 N ATOM 0 H HIS A 47 -0.910 -3.507 -2.818 1.00 0.00 H new ATOM 0 HA HIS A 47 0.890 -3.835 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.259 -1.521 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.095 -1.338 -3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.467 -2.439 -5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.902 1.171 -3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.177 -0.658 -4.312 1.00 0.00 H new ATOM 709 N TYR A 48 2.822 -4.250 -3.724 1.00 0.00 N ATOM 710 CA TYR A 48 3.853 -4.753 -2.750 1.00 0.00 C ATOM 711 C TYR A 48 5.109 -3.868 -2.738 1.00 0.00 C ATOM 712 O TYR A 48 5.803 -3.738 -3.728 1.00 0.00 O ATOM 713 CB TYR A 48 4.255 -6.151 -3.230 1.00 0.00 C ATOM 714 CG TYR A 48 3.069 -7.078 -3.270 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.591 -7.663 -2.093 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.464 -7.369 -4.495 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.504 -8.540 -2.144 1.00 0.00 C ATOM 718 CE2 TYR A 48 1.380 -8.248 -4.548 1.00 0.00 C ATOM 719 CZ TYR A 48 0.898 -8.834 -3.372 1.00 0.00 C ATOM 720 OH TYR A 48 -0.168 -9.705 -3.424 1.00 0.00 O ATOM 0 H TYR A 48 3.103 -4.270 -4.704 1.00 0.00 H new ATOM 0 HA TYR A 48 3.436 -4.750 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.700 -6.083 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.017 -6.560 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.061 -7.438 -1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.835 -6.914 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.131 -8.991 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.914 -8.475 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.927 -9.267 -3.864 1.00 0.00 H new ATOM 730 N LEU A 49 5.431 -3.317 -1.599 1.00 0.00 N ATOM 731 CA LEU A 49 6.674 -2.498 -1.458 1.00 0.00 C ATOM 732 C LEU A 49 7.271 -2.800 -0.079 1.00 0.00 C ATOM 733 O LEU A 49 6.539 -3.035 0.864 1.00 0.00 O ATOM 734 CB LEU A 49 6.254 -1.026 -1.560 1.00 0.00 C ATOM 735 CG LEU A 49 7.502 -0.156 -1.771 1.00 0.00 C ATOM 736 CD1 LEU A 49 8.069 -0.391 -3.173 1.00 0.00 C ATOM 737 CD2 LEU A 49 7.136 1.321 -1.623 1.00 0.00 C ATOM 0 H LEU A 49 4.878 -3.400 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 49 7.416 -2.721 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.558 -0.891 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.733 -0.721 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 49 8.249 -0.426 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.954 0.229 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.340 -1.441 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.318 -0.129 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.025 1.933 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.383 1.586 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.738 1.499 -0.624 1.00 0.00 H new ATOM 749 N CYS A 50 8.573 -2.806 0.059 1.00 0.00 N ATOM 750 CA CYS A 50 9.170 -3.106 1.389 1.00 0.00 C ATOM 751 C CYS A 50 9.514 -1.810 2.118 1.00 0.00 C ATOM 752 O CYS A 50 9.703 -0.771 1.514 1.00 0.00 O ATOM 753 CB CYS A 50 10.412 -3.975 1.108 1.00 0.00 C ATOM 754 SG CYS A 50 11.711 -3.023 0.282 1.00 0.00 S ATOM 0 H CYS A 50 9.241 -2.617 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 50 8.481 -3.639 2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.795 -4.379 2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.130 -4.825 0.486 1.00 0.00 H new ATOM 759 N LEU A 51 9.578 -1.872 3.418 1.00 0.00 N ATOM 760 CA LEU A 51 9.893 -0.655 4.218 1.00 0.00 C ATOM 761 C LEU A 51 11.261 -0.099 3.827 1.00 0.00 C ATOM 762 O LEU A 51 11.557 1.060 4.056 1.00 0.00 O ATOM 763 CB LEU A 51 9.893 -1.106 5.686 1.00 0.00 C ATOM 764 CG LEU A 51 10.913 -2.230 5.897 1.00 0.00 C ATOM 765 CD1 LEU A 51 12.263 -1.634 6.302 1.00 0.00 C ATOM 766 CD2 LEU A 51 10.416 -3.155 7.006 1.00 0.00 C ATOM 0 H LEU A 51 9.425 -2.719 3.965 1.00 0.00 H new ATOM 0 HA LEU A 51 9.166 0.138 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.133 -0.262 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.898 -1.451 5.968 1.00 0.00 H new ATOM 0 HG LEU A 51 11.031 -2.792 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.985 -2.437 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.618 -0.968 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.149 -1.072 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.137 -3.957 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.301 -2.587 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.455 -3.582 6.720 1.00 0.00 H new ATOM 778 N ASN A 52 12.104 -0.919 3.249 1.00 0.00 N ATOM 779 CA ASN A 52 13.460 -0.435 2.860 1.00 0.00 C ATOM 780 C ASN A 52 13.344 0.700 1.837 1.00 0.00 C ATOM 781 O ASN A 52 13.910 1.761 2.019 1.00 0.00 O ATOM 782 CB ASN A 52 14.150 -1.650 2.233 1.00 0.00 C ATOM 783 CG ASN A 52 15.667 -1.496 2.341 1.00 0.00 C ATOM 784 OD1 ASN A 52 16.161 -0.791 3.198 1.00 0.00 O ATOM 785 ND2 ASN A 52 16.432 -2.138 1.502 1.00 0.00 N ATOM 0 H ASN A 52 11.911 -1.897 3.032 1.00 0.00 H new ATOM 0 HA ASN A 52 14.017 -0.042 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.831 -2.562 2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.858 -1.746 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.446 -2.048 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.016 -2.730 0.783 1.00 0.00 H new ATOM 792 N CYS A 53 12.603 0.494 0.773 1.00 0.00 N ATOM 793 CA CYS A 53 12.443 1.582 -0.245 1.00 0.00 C ATOM 794 C CYS A 53 11.198 2.413 0.066 1.00 0.00 C ATOM 795 O CYS A 53 11.133 3.595 -0.223 1.00 0.00 O ATOM 796 CB CYS A 53 12.350 0.888 -1.610 1.00 0.00 C ATOM 797 SG CYS A 53 10.880 -0.169 -1.704 1.00 0.00 S ATOM 0 H CYS A 53 12.106 -0.373 0.567 1.00 0.00 H new ATOM 0 HA CYS A 53 13.283 2.276 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.315 1.637 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.245 0.288 -1.779 1.00 0.00 H new ATOM 802 N LEU A 54 10.205 1.794 0.650 1.00 0.00 N ATOM 803 CA LEU A 54 8.948 2.528 0.984 1.00 0.00 C ATOM 804 C LEU A 54 9.254 3.657 1.974 1.00 0.00 C ATOM 805 O LEU A 54 8.780 4.769 1.826 1.00 0.00 O ATOM 806 CB LEU A 54 8.042 1.472 1.628 1.00 0.00 C ATOM 807 CG LEU A 54 6.675 2.074 1.950 1.00 0.00 C ATOM 808 CD1 LEU A 54 5.655 0.950 2.093 1.00 0.00 C ATOM 809 CD2 LEU A 54 6.736 2.863 3.266 1.00 0.00 C ATOM 0 H LEU A 54 10.211 0.808 0.911 1.00 0.00 H new ATOM 0 HA LEU A 54 8.482 2.987 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.924 0.624 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.504 1.093 2.539 1.00 0.00 H new ATOM 0 HG LEU A 54 6.386 2.747 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.677 1.373 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.598 0.390 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.960 0.282 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.755 3.286 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.031 2.196 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.466 3.667 3.174 1.00 0.00 H new ATOM 821 N THR A 55 10.042 3.376 2.982 1.00 0.00 N ATOM 822 CA THR A 55 10.384 4.429 3.987 1.00 0.00 C ATOM 823 C THR A 55 11.175 5.564 3.319 1.00 0.00 C ATOM 824 O THR A 55 10.924 6.730 3.565 1.00 0.00 O ATOM 825 CB THR A 55 11.236 3.714 5.044 1.00 0.00 C ATOM 826 OG1 THR A 55 10.459 2.707 5.679 1.00 0.00 O ATOM 827 CG2 THR A 55 11.734 4.712 6.100 1.00 0.00 C ATOM 0 H THR A 55 10.463 2.463 3.152 1.00 0.00 H new ATOM 0 HA THR A 55 9.497 4.884 4.428 1.00 0.00 H new ATOM 0 HB THR A 55 12.097 3.263 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.703 1.829 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.336 4.187 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.339 5.480 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.880 5.179 6.591 1.00 0.00 H new ATOM 835 N LEU A 56 12.133 5.232 2.484 1.00 0.00 N ATOM 836 CA LEU A 56 12.943 6.299 1.814 1.00 0.00 C ATOM 837 C LEU A 56 12.038 7.180 0.954 1.00 0.00 C ATOM 838 O LEU A 56 12.170 8.389 0.947 1.00 0.00 O ATOM 839 CB LEU A 56 13.967 5.563 0.942 1.00 0.00 C ATOM 840 CG LEU A 56 15.014 4.882 1.827 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.851 3.921 0.982 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.934 5.940 2.445 1.00 0.00 C ATOM 0 H LEU A 56 12.387 4.275 2.239 1.00 0.00 H new ATOM 0 HA LEU A 56 13.435 6.950 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.463 4.820 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.453 6.266 0.265 1.00 0.00 H new ATOM 0 HG LEU A 56 14.509 4.330 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.596 3.437 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.202 3.165 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.352 4.476 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.678 5.452 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.436 6.493 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.343 6.628 3.049 1.00 0.00 H new ATOM 854 N LEU A 57 11.115 6.590 0.239 1.00 0.00 N ATOM 855 CA LEU A 57 10.191 7.407 -0.608 1.00 0.00 C ATOM 856 C LEU A 57 8.872 7.652 0.122 1.00 0.00 C ATOM 857 O LEU A 57 7.878 7.945 -0.505 1.00 0.00 O ATOM 858 CB LEU A 57 9.918 6.573 -1.862 1.00 0.00 C ATOM 859 CG LEU A 57 9.590 7.505 -3.036 1.00 0.00 C ATOM 860 CD1 LEU A 57 10.130 6.901 -4.328 1.00 0.00 C ATOM 861 CD2 LEU A 57 8.073 7.686 -3.167 1.00 0.00 C ATOM 0 H LEU A 57 10.960 5.582 0.204 1.00 0.00 H new ATOM 0 HA LEU A 57 10.633 8.376 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.788 5.962 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.088 5.890 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 57 10.052 8.475 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.898 7.562 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.211 6.781 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.668 5.928 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.857 8.350 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.605 6.717 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.678 8.120 -2.249 1.00 0.00 H new ATOM 873 N LEU A 58 8.840 7.506 1.433 1.00 0.00 N ATOM 874 CA LEU A 58 7.554 7.690 2.193 1.00 0.00 C ATOM 875 C LEU A 58 6.542 6.656 1.699 1.00 0.00 C ATOM 876 O LEU A 58 6.465 6.374 0.518 1.00 0.00 O ATOM 877 CB LEU A 58 7.048 9.112 1.899 1.00 0.00 C ATOM 878 CG LEU A 58 7.572 10.068 2.964 1.00 0.00 C ATOM 879 CD1 LEU A 58 7.525 11.498 2.418 1.00 0.00 C ATOM 880 CD2 LEU A 58 6.712 9.956 4.232 1.00 0.00 C ATOM 0 H LEU A 58 9.648 7.268 2.008 1.00 0.00 H new ATOM 0 HA LEU A 58 7.698 7.557 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.382 9.432 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.958 9.126 1.887 1.00 0.00 H new ATOM 0 HG LEU A 58 8.601 9.811 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.898 12.189 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.146 11.567 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.497 11.758 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.091 10.641 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.679 10.212 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.755 8.935 4.612 1.00 0.00 H new ATOM 892 N SER A 59 5.749 6.087 2.569 1.00 0.00 N ATOM 893 CA SER A 59 4.745 5.094 2.076 1.00 0.00 C ATOM 894 C SER A 59 3.750 5.862 1.211 1.00 0.00 C ATOM 895 O SER A 59 3.669 5.672 0.012 1.00 0.00 O ATOM 896 CB SER A 59 4.068 4.505 3.319 1.00 0.00 C ATOM 897 OG SER A 59 3.550 3.219 2.998 1.00 0.00 O ATOM 0 H SER A 59 5.749 6.259 3.574 1.00 0.00 H new ATOM 0 HA SER A 59 5.180 4.288 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.784 4.429 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.266 5.161 3.657 1.00 0.00 H new ATOM 0 HG SER A 59 3.117 2.834 3.788 1.00 0.00 H new ATOM 903 N VAL A 60 3.052 6.783 1.814 1.00 0.00 N ATOM 904 CA VAL A 60 2.112 7.646 1.051 1.00 0.00 C ATOM 905 C VAL A 60 1.977 8.991 1.758 1.00 0.00 C ATOM 906 O VAL A 60 0.907 9.347 2.218 1.00 0.00 O ATOM 907 CB VAL A 60 0.775 6.911 1.009 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.281 6.638 2.431 1.00 0.00 C ATOM 909 CG2 VAL A 60 -0.261 7.761 0.252 1.00 0.00 C ATOM 0 H VAL A 60 3.094 6.976 2.815 1.00 0.00 H new ATOM 0 HA VAL A 60 2.466 7.838 0.038 1.00 0.00 H new ATOM 0 HB VAL A 60 0.908 5.961 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.674 6.113 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.011 6.023 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.153 7.583 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.214 7.233 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.390 8.716 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.086 7.937 -0.766 1.00 0.00 H new ATOM 919 N SER A 61 3.044 9.741 1.857 1.00 0.00 N ATOM 920 CA SER A 61 2.953 11.074 2.547 1.00 0.00 C ATOM 921 C SER A 61 1.831 11.892 1.904 1.00 0.00 C ATOM 922 O SER A 61 1.110 12.618 2.563 1.00 0.00 O ATOM 923 CB SER A 61 4.310 11.743 2.331 1.00 0.00 C ATOM 924 OG SER A 61 4.514 11.959 0.941 1.00 0.00 O ATOM 0 H SER A 61 3.966 9.497 1.496 1.00 0.00 H new ATOM 0 HA SER A 61 2.729 10.985 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.350 12.691 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.105 11.116 2.733 1.00 0.00 H new ATOM 0 HG SER A 61 5.073 12.753 0.812 1.00 0.00 H new ATOM 930 N ASN A 62 1.661 11.726 0.623 1.00 0.00 N ATOM 931 CA ASN A 62 0.568 12.428 -0.096 1.00 0.00 C ATOM 932 C ASN A 62 -0.244 11.396 -0.878 1.00 0.00 C ATOM 933 O ASN A 62 -1.458 11.351 -0.801 1.00 0.00 O ATOM 934 CB ASN A 62 1.262 13.408 -1.042 1.00 0.00 C ATOM 935 CG ASN A 62 1.888 14.547 -0.232 1.00 0.00 C ATOM 936 OD1 ASN A 62 1.519 14.777 0.904 1.00 0.00 O ATOM 937 ND2 ASN A 62 2.826 15.275 -0.770 1.00 0.00 N ATOM 0 H ASN A 62 2.242 11.125 0.038 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.114 12.953 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.031 12.892 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.544 13.809 -1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.249 16.036 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.137 15.084 -1.722 1.00 0.00 H new ATOM 944 N ARG A 63 0.429 10.563 -1.630 1.00 0.00 N ATOM 945 CA ARG A 63 -0.282 9.518 -2.428 1.00 0.00 C ATOM 946 C ARG A 63 0.645 8.340 -2.746 1.00 0.00 C ATOM 947 O ARG A 63 1.836 8.516 -2.926 1.00 0.00 O ATOM 948 CB ARG A 63 -0.677 10.223 -3.725 1.00 0.00 C ATOM 949 CG ARG A 63 -2.073 10.838 -3.582 1.00 0.00 C ATOM 950 CD ARG A 63 -1.964 12.361 -3.531 1.00 0.00 C ATOM 951 NE ARG A 63 -3.375 12.834 -3.411 1.00 0.00 N ATOM 952 CZ ARG A 63 -4.168 12.902 -4.457 1.00 0.00 C ATOM 953 NH1 ARG A 63 -3.797 12.451 -5.629 1.00 0.00 N ATOM 954 NH2 ARG A 63 -5.355 13.424 -4.321 1.00 0.00 N ATOM 0 H ARG A 63 1.444 10.561 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.136 9.111 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.049 11.000 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.666 9.513 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.701 10.537 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.553 10.468 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.363 12.688 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.489 12.755 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.732 13.111 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.873 12.035 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.432 12.516 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.657 13.773 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.981 13.483 -5.124 1.00 0.00 H new ATOM 968 N CYS A 64 0.102 7.150 -2.869 1.00 0.00 N ATOM 969 CA CYS A 64 0.952 5.980 -3.237 1.00 0.00 C ATOM 970 C CYS A 64 1.033 5.938 -4.773 1.00 0.00 C ATOM 971 O CYS A 64 0.020 5.791 -5.426 1.00 0.00 O ATOM 972 CB CYS A 64 0.239 4.745 -2.678 1.00 0.00 C ATOM 973 SG CYS A 64 1.426 3.383 -2.539 1.00 0.00 S ATOM 0 H CYS A 64 -0.887 6.943 -2.731 1.00 0.00 H new ATOM 0 HA CYS A 64 1.965 6.031 -2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.191 4.969 -1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.585 4.459 -3.331 1.00 0.00 H new ATOM 978 N PRO A 65 2.221 6.121 -5.312 1.00 0.00 N ATOM 979 CA PRO A 65 2.374 6.158 -6.793 1.00 0.00 C ATOM 980 C PRO A 65 2.091 4.795 -7.440 1.00 0.00 C ATOM 981 O PRO A 65 1.593 4.730 -8.548 1.00 0.00 O ATOM 982 CB PRO A 65 3.834 6.560 -6.993 1.00 0.00 C ATOM 983 CG PRO A 65 4.523 6.144 -5.735 1.00 0.00 C ATOM 984 CD PRO A 65 3.517 6.295 -4.626 1.00 0.00 C ATOM 0 HA PRO A 65 1.668 6.844 -7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.265 6.063 -7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.929 7.633 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.870 5.113 -5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.400 6.764 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.663 5.547 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.590 7.272 -4.148 1.00 0.00 H new ATOM 992 N ILE A 66 2.409 3.714 -6.776 1.00 0.00 N ATOM 993 CA ILE A 66 2.153 2.369 -7.387 1.00 0.00 C ATOM 994 C ILE A 66 0.658 2.045 -7.416 1.00 0.00 C ATOM 995 O ILE A 66 0.143 1.580 -8.415 1.00 0.00 O ATOM 996 CB ILE A 66 2.927 1.363 -6.538 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.414 1.763 -6.471 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.797 -0.030 -7.159 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.018 1.812 -7.881 1.00 0.00 C ATOM 0 H ILE A 66 2.830 3.700 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 66 2.482 2.340 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 66 2.517 1.354 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.514 2.737 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.962 1.048 -5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.349 -0.751 -6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.746 -0.316 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.204 -0.017 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.068 2.096 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.935 0.830 -8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.480 2.545 -8.482 1.00 0.00 H new ATOM 1011 N CYS A 67 -0.051 2.299 -6.347 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.515 2.012 -6.357 1.00 0.00 C ATOM 1013 C CYS A 67 -2.214 2.947 -7.355 1.00 0.00 C ATOM 1014 O CYS A 67 -3.343 2.719 -7.743 1.00 0.00 O ATOM 1015 CB CYS A 67 -2.004 2.261 -4.927 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.289 1.020 -3.815 1.00 0.00 S ATOM 0 H CYS A 67 0.315 2.688 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.734 0.990 -6.665 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.718 3.262 -4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.092 2.213 -4.890 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.549 4.005 -7.777 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.163 4.963 -8.749 1.00 0.00 C ATOM 1023 C LYS A 68 -3.520 5.447 -8.240 1.00 0.00 C ATOM 1024 O LYS A 68 -4.379 5.837 -9.010 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.331 4.171 -10.050 1.00 0.00 C ATOM 1026 CG LYS A 68 -0.958 3.738 -10.568 1.00 0.00 C ATOM 1027 CD LYS A 68 -0.152 4.966 -10.993 1.00 0.00 C ATOM 1028 CE LYS A 68 1.213 4.520 -11.519 1.00 0.00 C ATOM 1029 NZ LYS A 68 1.888 5.780 -11.936 1.00 0.00 N ATOM 0 H LYS A 68 -0.601 4.243 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.544 5.849 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.958 3.296 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.837 4.783 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.422 3.191 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.076 3.059 -11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.689 5.518 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.025 5.642 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.784 4.001 -10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.108 3.831 -12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.833 5.560 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.324 6.248 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.979 6.413 -11.116 1.00 0.00 H new ATOM 1043 N MET A 69 -3.719 5.422 -6.947 1.00 0.00 N ATOM 1044 CA MET A 69 -5.025 5.879 -6.391 1.00 0.00 C ATOM 1045 C MET A 69 -4.815 6.858 -5.229 1.00 0.00 C ATOM 1046 O MET A 69 -3.770 6.864 -4.610 1.00 0.00 O ATOM 1047 CB MET A 69 -5.731 4.611 -5.918 1.00 0.00 C ATOM 1048 CG MET A 69 -6.574 4.053 -7.066 1.00 0.00 C ATOM 1049 SD MET A 69 -7.139 2.385 -6.654 1.00 0.00 S ATOM 1050 CE MET A 69 -8.870 2.614 -7.128 1.00 0.00 C ATOM 0 H MET A 69 -3.037 5.107 -6.257 1.00 0.00 H new ATOM 0 HA MET A 69 -5.615 6.414 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.999 3.871 -5.594 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.364 4.831 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.430 4.702 -7.250 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.987 4.032 -7.984 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.420 1.689 -6.954 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.308 3.414 -6.531 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.926 2.877 -8.184 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.821 7.669 -4.980 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.735 8.675 -3.893 1.00 0.00 C ATOM 1062 C PRO A 70 -5.933 8.024 -2.521 1.00 0.00 C ATOM 1063 O PRO A 70 -6.702 7.092 -2.370 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.876 9.636 -4.208 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.870 8.836 -4.991 1.00 0.00 C ATOM 1066 CD PRO A 70 -7.122 7.720 -5.673 1.00 0.00 C ATOM 0 HA PRO A 70 -4.763 9.166 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.321 10.029 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.521 10.491 -4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.641 8.434 -4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.373 9.464 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.655 6.773 -5.586 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.997 7.919 -6.737 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.256 8.524 -1.520 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.406 7.959 -0.147 1.00 0.00 C ATOM 1076 C LEU A 71 -5.748 9.085 0.836 1.00 0.00 C ATOM 1077 O LEU A 71 -4.864 9.730 1.360 1.00 0.00 O ATOM 1078 CB LEU A 71 -4.050 7.345 0.190 1.00 0.00 C ATOM 1079 CG LEU A 71 -4.042 5.882 -0.243 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -4.039 5.801 -1.772 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -2.794 5.195 0.315 1.00 0.00 C ATOM 0 H LEU A 71 -4.602 9.303 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.204 7.219 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.254 7.891 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.858 7.421 1.260 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.931 5.382 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.033 4.756 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.931 6.290 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.151 6.299 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.786 4.149 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.903 5.693 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.803 5.253 1.403 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.027 9.299 1.051 1.00 0.00 N ATOM 1094 CA PRO A 72 -7.461 10.373 1.979 1.00 0.00 C ATOM 1095 C PRO A 72 -7.091 10.027 3.424 1.00 0.00 C ATOM 1096 O PRO A 72 -7.043 8.873 3.806 1.00 0.00 O ATOM 1097 CB PRO A 72 -8.977 10.417 1.795 1.00 0.00 C ATOM 1098 CG PRO A 72 -9.337 9.053 1.309 1.00 0.00 C ATOM 1099 CD PRO A 72 -8.177 8.579 0.476 1.00 0.00 C ATOM 0 HA PRO A 72 -6.984 11.331 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.483 10.651 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.267 11.183 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.516 8.377 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.253 9.080 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.049 7.499 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.315 8.819 -0.578 1.00 0.00 H new ATOM 1107 N THR A 73 -6.831 11.026 4.224 1.00 0.00 N ATOM 1108 CA THR A 73 -6.465 10.781 5.651 1.00 0.00 C ATOM 1109 C THR A 73 -7.550 11.335 6.586 1.00 0.00 C ATOM 1110 O THR A 73 -7.645 10.944 7.734 1.00 0.00 O ATOM 1111 CB THR A 73 -5.144 11.531 5.862 1.00 0.00 C ATOM 1112 OG1 THR A 73 -4.741 11.394 7.216 1.00 0.00 O ATOM 1113 CG2 THR A 73 -5.321 13.019 5.533 1.00 0.00 C ATOM 0 H THR A 73 -6.856 12.008 3.949 1.00 0.00 H new ATOM 0 HA THR A 73 -6.370 9.718 5.870 1.00 0.00 H new ATOM 0 HB THR A 73 -4.385 11.110 5.203 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.896 11.870 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.376 13.541 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.630 13.127 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.082 13.448 6.185 1.00 0.00 H new ATOM 1121 N LYS A 74 -8.365 12.240 6.102 1.00 0.00 N ATOM 1122 CA LYS A 74 -9.441 12.819 6.957 1.00 0.00 C ATOM 1123 C LYS A 74 -10.756 12.072 6.728 1.00 0.00 C ATOM 1124 O LYS A 74 -11.040 11.615 5.636 1.00 0.00 O ATOM 1125 CB LYS A 74 -9.564 14.274 6.510 1.00 0.00 C ATOM 1126 CG LYS A 74 -8.289 15.032 6.880 1.00 0.00 C ATOM 1127 CD LYS A 74 -8.381 16.470 6.369 1.00 0.00 C ATOM 1128 CE LYS A 74 -9.342 17.264 7.256 1.00 0.00 C ATOM 1129 NZ LYS A 74 -9.183 18.680 6.825 1.00 0.00 N ATOM 0 H LYS A 74 -8.329 12.602 5.149 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.212 12.739 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.729 14.322 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.427 14.740 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.152 15.028 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.420 14.536 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.395 16.934 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.730 16.479 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.370 16.925 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.097 17.143 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.811 19.287 7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.196 18.977 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.430 18.766 5.818 1.00 0.00 H new ATOM 1143 N LEU A 75 -11.555 11.948 7.753 1.00 0.00 N ATOM 1144 CA LEU A 75 -12.856 11.235 7.614 1.00 0.00 C ATOM 1145 C LEU A 75 -14.013 12.210 7.802 1.00 0.00 C ATOM 1146 O LEU A 75 -14.013 13.021 8.710 1.00 0.00 O ATOM 1147 CB LEU A 75 -12.863 10.192 8.729 1.00 0.00 C ATOM 1148 CG LEU A 75 -11.718 9.202 8.514 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -10.495 9.651 9.319 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -12.158 7.813 8.981 1.00 0.00 C ATOM 0 H LEU A 75 -11.361 12.312 8.686 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.970 10.783 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.758 10.680 9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.816 9.664 8.740 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.459 9.166 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.679 8.945 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.185 10.642 8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.750 9.686 10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.344 7.104 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.415 7.850 10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.028 7.495 8.407 1.00 0.00 H new ATOM 1162 N ARG A 76 -15.005 12.135 6.952 1.00 0.00 N ATOM 1163 CA ARG A 76 -16.183 13.051 7.072 1.00 0.00 C ATOM 1164 C ARG A 76 -15.721 14.519 7.095 1.00 0.00 C ATOM 1165 O ARG A 76 -15.501 15.078 8.152 1.00 0.00 O ATOM 1166 CB ARG A 76 -16.861 12.667 8.396 1.00 0.00 C ATOM 1167 CG ARG A 76 -18.362 12.482 8.163 1.00 0.00 C ATOM 1168 CD ARG A 76 -19.036 13.856 8.106 1.00 0.00 C ATOM 1169 NE ARG A 76 -19.511 14.112 9.499 1.00 0.00 N ATOM 1170 CZ ARG A 76 -20.489 14.957 9.739 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -20.864 15.834 8.841 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -21.090 14.930 10.897 1.00 0.00 N ATOM 0 H ARG A 76 -15.051 11.476 6.175 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.867 12.954 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.426 11.747 8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.690 13.442 9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -18.534 11.941 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -18.796 11.884 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.336 14.626 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -19.866 13.860 7.399 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.069 13.623 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -20.395 15.870 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -21.625 16.481 9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.800 14.257 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.850 15.582 11.093 1.00 0.00 H new ATOM 1186 N PRO A 77 -15.580 15.100 5.920 1.00 0.00 N ATOM 1187 CA PRO A 77 -15.129 16.511 5.821 1.00 0.00 C ATOM 1188 C PRO A 77 -16.245 17.461 6.260 1.00 0.00 C ATOM 1189 O PRO A 77 -17.413 17.117 6.226 1.00 0.00 O ATOM 1190 CB PRO A 77 -14.804 16.686 4.340 1.00 0.00 C ATOM 1191 CG PRO A 77 -15.635 15.664 3.633 1.00 0.00 C ATOM 1192 CD PRO A 77 -15.832 14.513 4.588 1.00 0.00 C ATOM 0 HA PRO A 77 -14.276 16.734 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.045 17.693 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.742 16.531 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.595 16.087 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.139 15.328 2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.840 14.105 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.142 13.697 4.376 1.00 0.00 H new ATOM 1200 N SER A 78 -15.895 18.654 6.672 1.00 0.00 N ATOM 1201 CA SER A 78 -16.937 19.630 7.115 1.00 0.00 C ATOM 1202 C SER A 78 -17.894 19.936 5.959 1.00 0.00 C ATOM 1203 O SER A 78 -17.483 20.078 4.823 1.00 0.00 O ATOM 1204 CB SER A 78 -16.166 20.888 7.516 1.00 0.00 C ATOM 1205 OG SER A 78 -15.558 21.456 6.362 1.00 0.00 O ATOM 0 H SER A 78 -14.934 18.994 6.721 1.00 0.00 H new ATOM 0 HA SER A 78 -17.539 19.244 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.840 21.609 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.406 20.642 8.257 1.00 0.00 H new ATOM 0 HG SER A 78 -15.065 22.264 6.616 1.00 0.00 H new ATOM 1211 N ALA A 79 -19.166 20.035 6.244 1.00 0.00 N ATOM 1212 CA ALA A 79 -20.158 20.330 5.166 1.00 0.00 C ATOM 1213 C ALA A 79 -20.851 21.670 5.432 1.00 0.00 C ATOM 1214 O ALA A 79 -21.284 22.349 4.519 1.00 0.00 O ATOM 1215 CB ALA A 79 -21.171 19.187 5.234 1.00 0.00 C ATOM 0 H ALA A 79 -19.562 19.924 7.177 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.687 20.403 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -21.935 19.332 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.662 18.239 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -21.640 19.174 6.218 1.00 0.00 H new ATOM 1221 N ALA A 80 -20.959 22.056 6.680 1.00 0.00 N ATOM 1222 CA ALA A 80 -21.627 23.350 7.031 1.00 0.00 C ATOM 1223 C ALA A 80 -23.077 23.361 6.522 1.00 0.00 C ATOM 1224 O ALA A 80 -23.454 22.530 5.720 1.00 0.00 O ATOM 1225 CB ALA A 80 -20.808 24.449 6.344 1.00 0.00 C ATOM 0 H ALA A 80 -20.610 21.525 7.478 1.00 0.00 H new ATOM 0 HA ALA A 80 -21.666 23.499 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -21.248 25.422 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -19.783 24.423 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -20.810 24.285 5.266 1.00 0.00 H new ATOM 1231 N PRO A 81 -23.851 24.310 7.009 1.00 0.00 N ATOM 1232 CA PRO A 81 -25.269 24.414 6.588 1.00 0.00 C ATOM 1233 C PRO A 81 -25.362 24.969 5.164 1.00 0.00 C ATOM 1234 O PRO A 81 -24.454 25.623 4.686 1.00 0.00 O ATOM 1235 CB PRO A 81 -25.873 25.391 7.597 1.00 0.00 C ATOM 1236 CG PRO A 81 -24.724 26.218 8.076 1.00 0.00 C ATOM 1237 CD PRO A 81 -23.486 25.363 7.975 1.00 0.00 C ATOM 0 HA PRO A 81 -25.785 23.454 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.639 26.012 7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.348 24.861 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -24.620 27.119 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -24.885 26.542 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -22.630 25.942 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -23.215 24.940 8.942 1.00 0.00 H new ATOM 1245 N THR A 82 -26.454 24.717 4.488 1.00 0.00 N ATOM 1246 CA THR A 82 -26.613 25.233 3.093 1.00 0.00 C ATOM 1247 C THR A 82 -26.584 26.764 3.099 1.00 0.00 C ATOM 1248 O THR A 82 -25.926 27.381 2.282 1.00 0.00 O ATOM 1249 CB THR A 82 -27.984 24.729 2.628 1.00 0.00 C ATOM 1250 OG1 THR A 82 -27.994 23.309 2.647 1.00 0.00 O ATOM 1251 CG2 THR A 82 -28.273 25.220 1.204 1.00 0.00 C ATOM 0 H THR A 82 -27.243 24.176 4.841 1.00 0.00 H new ATOM 0 HA THR A 82 -25.813 24.894 2.435 1.00 0.00 H new ATOM 0 HB THR A 82 -28.751 25.114 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 82 -28.870 22.984 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 82 -29.249 24.856 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 82 -28.269 26.310 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 82 -27.506 24.844 0.527 1.00 0.00 H new ATOM 1259 N ALA A 83 -27.293 27.375 4.012 1.00 0.00 N ATOM 1260 CA ALA A 83 -27.314 28.865 4.070 1.00 0.00 C ATOM 1261 C ALA A 83 -26.273 29.381 5.074 1.00 0.00 C ATOM 1262 O ALA A 83 -25.756 28.622 5.869 1.00 0.00 O ATOM 1263 CB ALA A 83 -28.724 29.232 4.529 1.00 0.00 C ATOM 0 H ALA A 83 -27.858 26.906 4.720 1.00 0.00 H new ATOM 0 HA ALA A 83 -27.071 29.311 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -28.814 30.316 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -29.451 28.850 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -28.914 28.792 5.508 1.00 0.00 H new ATOM 1269 N PRO A 84 -25.997 30.667 5.005 1.00 0.00 N ATOM 1270 CA PRO A 84 -25.006 31.274 5.925 1.00 0.00 C ATOM 1271 C PRO A 84 -25.591 31.411 7.341 1.00 0.00 C ATOM 1272 O PRO A 84 -26.787 31.562 7.495 1.00 0.00 O ATOM 1273 CB PRO A 84 -24.738 32.646 5.315 1.00 0.00 C ATOM 1274 CG PRO A 84 -25.968 32.969 4.526 1.00 0.00 C ATOM 1275 CD PRO A 84 -26.568 31.663 4.079 1.00 0.00 C ATOM 0 HA PRO A 84 -24.102 30.674 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -24.558 33.393 6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -23.854 32.628 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -26.678 33.530 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -25.721 33.593 3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -27.656 31.684 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -26.309 31.439 3.044 1.00 0.00 H new ATOM 1283 N PRO A 85 -24.729 31.354 8.333 1.00 0.00 N ATOM 1284 CA PRO A 85 -25.189 31.477 9.741 1.00 0.00 C ATOM 1285 C PRO A 85 -25.663 32.905 10.029 1.00 0.00 C ATOM 1286 O PRO A 85 -26.512 33.130 10.871 1.00 0.00 O ATOM 1287 CB PRO A 85 -23.946 31.138 10.559 1.00 0.00 C ATOM 1288 CG PRO A 85 -22.794 31.441 9.655 1.00 0.00 C ATOM 1289 CD PRO A 85 -23.267 31.185 8.249 1.00 0.00 C ATOM 0 HA PRO A 85 -26.033 30.827 9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -23.899 31.733 11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.946 30.091 10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -22.472 32.476 9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -21.937 30.811 9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -22.823 31.887 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -22.999 30.183 7.913 1.00 0.00 H new ATOM 1297 N THR A 86 -25.109 33.869 9.338 1.00 0.00 N ATOM 1298 CA THR A 86 -25.512 35.289 9.567 1.00 0.00 C ATOM 1299 C THR A 86 -25.669 36.014 8.227 1.00 0.00 C ATOM 1300 O THR A 86 -25.140 35.587 7.217 1.00 0.00 O ATOM 1301 CB THR A 86 -24.368 35.903 10.381 1.00 0.00 C ATOM 1302 OG1 THR A 86 -23.168 35.852 9.620 1.00 0.00 O ATOM 1303 CG2 THR A 86 -24.182 35.123 11.685 1.00 0.00 C ATOM 0 H THR A 86 -24.394 33.733 8.624 1.00 0.00 H new ATOM 0 HA THR A 86 -26.467 35.369 10.086 1.00 0.00 H new ATOM 0 HB THR A 86 -24.608 36.940 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 86 -22.435 36.246 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 86 -23.367 35.564 12.260 1.00 0.00 H new ATOM 0 HG22 THR A 86 -25.102 35.165 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 86 -23.944 34.084 11.457 1.00 0.00 H new ATOM 1311 N GLY A 87 -26.390 37.105 8.213 1.00 0.00 N ATOM 1312 CA GLY A 87 -26.584 37.862 6.942 1.00 0.00 C ATOM 1313 C GLY A 87 -25.867 39.210 7.035 1.00 0.00 C ATOM 1314 O GLY A 87 -25.593 39.705 8.112 1.00 0.00 O ATOM 0 H GLY A 87 -26.853 37.505 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -26.194 37.288 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -27.647 38.016 6.757 1.00 0.00 H new ATOM 1318 N ALA A 88 -25.566 39.808 5.910 1.00 0.00 N ATOM 1319 CA ALA A 88 -24.870 41.131 5.925 1.00 0.00 C ATOM 1320 C ALA A 88 -25.823 42.219 6.428 1.00 0.00 C ATOM 1321 O ALA A 88 -27.023 42.140 6.234 1.00 0.00 O ATOM 1322 CB ALA A 88 -24.468 41.394 4.471 1.00 0.00 C ATOM 0 H ALA A 88 -25.772 39.438 4.982 1.00 0.00 H new ATOM 0 HA ALA A 88 -24.004 41.134 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -23.950 42.351 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.807 40.599 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -25.360 41.420 3.846 1.00 0.00 H new ATOM 1328 N ALA A 89 -25.300 43.229 7.073 1.00 0.00 N ATOM 1329 CA ALA A 89 -26.176 44.323 7.594 1.00 0.00 C ATOM 1330 C ALA A 89 -26.909 45.005 6.436 1.00 0.00 C ATOM 1331 O ALA A 89 -28.074 45.342 6.539 1.00 0.00 O ATOM 1332 CB ALA A 89 -25.230 45.308 8.284 1.00 0.00 C ATOM 0 H ALA A 89 -24.304 43.345 7.262 1.00 0.00 H new ATOM 0 HA ALA A 89 -26.936 43.948 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -25.805 46.140 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -24.703 44.801 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -24.508 45.686 7.561 1.00 0.00 H new ATOM 1338 N ASP A 90 -26.236 45.206 5.328 1.00 0.00 N ATOM 1339 CA ASP A 90 -26.886 45.864 4.146 1.00 0.00 C ATOM 1340 C ASP A 90 -27.536 47.190 4.561 1.00 0.00 C ATOM 1341 O ASP A 90 -28.600 47.545 4.086 1.00 0.00 O ATOM 1342 CB ASP A 90 -27.946 44.868 3.657 1.00 0.00 C ATOM 1343 CG ASP A 90 -27.271 43.659 2.996 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -26.103 43.763 2.647 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -27.937 42.648 2.844 1.00 0.00 O ATOM 0 H ASP A 90 -25.261 44.942 5.189 1.00 0.00 H new ATOM 0 HA ASP A 90 -26.165 46.100 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -28.560 44.538 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -28.613 45.355 2.946 1.00 0.00 H new ATOM 1350 N SER A 91 -26.904 47.918 5.448 1.00 0.00 N ATOM 1351 CA SER A 91 -27.484 49.219 5.902 1.00 0.00 C ATOM 1352 C SER A 91 -27.586 50.182 4.720 1.00 0.00 C ATOM 1353 O SER A 91 -26.668 50.306 3.928 1.00 0.00 O ATOM 1354 CB SER A 91 -26.503 49.751 6.950 1.00 0.00 C ATOM 1355 OG SER A 91 -26.686 49.036 8.166 1.00 0.00 O ATOM 0 H SER A 91 -26.013 47.668 5.877 1.00 0.00 H new ATOM 0 HA SER A 91 -28.488 49.107 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.478 49.637 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 91 -26.667 50.816 7.112 1.00 0.00 H new ATOM 0 HG SER A 91 -26.059 49.371 8.840 1.00 0.00 H new ATOM 1361 N ILE A 92 -28.696 50.862 4.591 1.00 0.00 N ATOM 1362 CA ILE A 92 -28.860 51.816 3.455 1.00 0.00 C ATOM 1363 C ILE A 92 -27.850 52.956 3.590 1.00 0.00 C ATOM 1364 O ILE A 92 -27.228 53.366 2.627 1.00 0.00 O ATOM 1365 CB ILE A 92 -30.304 52.336 3.565 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -31.286 51.182 3.313 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -30.547 53.447 2.532 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -31.067 50.587 1.916 1.00 0.00 C ATOM 0 H ILE A 92 -29.494 50.798 5.222 1.00 0.00 H new ATOM 0 HA ILE A 92 -28.683 51.349 2.486 1.00 0.00 H new ATOM 0 HB ILE A 92 -30.459 52.739 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -31.150 50.409 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -32.311 51.542 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -31.572 53.807 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -29.856 54.270 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -30.385 53.053 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -31.771 49.771 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -31.226 51.359 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -30.048 50.208 1.837 1.00 0.00 H new ATOM 1380 N ARG A 93 -27.686 53.479 4.783 1.00 0.00 N ATOM 1381 CA ARG A 93 -26.722 54.607 4.995 1.00 0.00 C ATOM 1382 C ARG A 93 -27.058 55.764 4.037 1.00 0.00 C ATOM 1383 O ARG A 93 -26.230 56.164 3.243 1.00 0.00 O ATOM 1384 CB ARG A 93 -25.336 54.025 4.691 1.00 0.00 C ATOM 1385 CG ARG A 93 -24.267 54.901 5.343 1.00 0.00 C ATOM 1386 CD ARG A 93 -24.038 54.429 6.778 1.00 0.00 C ATOM 1387 NE ARG A 93 -25.028 55.185 7.593 1.00 0.00 N ATOM 1388 CZ ARG A 93 -24.741 56.386 8.013 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -23.677 56.584 8.743 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -25.518 57.389 7.707 1.00 0.00 N ATOM 0 H ARG A 93 -28.180 53.172 5.621 1.00 0.00 H new ATOM 0 HA ARG A 93 -26.767 55.007 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -25.266 53.005 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -25.177 53.978 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -23.338 54.844 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -24.581 55.945 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -24.190 53.354 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -23.018 54.635 7.104 1.00 0.00 H new ATOM 0 HE ARG A 93 -25.929 54.765 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -23.071 55.800 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -23.452 57.523 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -26.351 57.234 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -25.292 58.328 8.036 1.00 0.00 H new ATOM 1404 N PRO A 94 -28.275 56.259 4.134 1.00 0.00 N ATOM 1405 CA PRO A 94 -28.708 57.365 3.247 1.00 0.00 C ATOM 1406 C PRO A 94 -28.015 58.677 3.635 1.00 0.00 C ATOM 1407 O PRO A 94 -27.405 58.762 4.682 1.00 0.00 O ATOM 1408 CB PRO A 94 -30.212 57.459 3.486 1.00 0.00 C ATOM 1409 CG PRO A 94 -30.422 56.890 4.852 1.00 0.00 C ATOM 1410 CD PRO A 94 -29.348 55.854 5.064 1.00 0.00 C ATOM 0 HA PRO A 94 -28.457 57.188 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -30.557 58.492 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -30.767 56.897 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -30.360 57.671 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -31.412 56.442 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -28.999 55.846 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -29.711 54.851 4.842 1.00 0.00 H new ATOM 1418 N PRO A 95 -28.127 59.663 2.775 1.00 0.00 N ATOM 1419 CA PRO A 95 -27.494 60.974 3.053 1.00 0.00 C ATOM 1420 C PRO A 95 -28.272 61.735 4.137 1.00 0.00 C ATOM 1421 O PRO A 95 -29.383 61.372 4.466 1.00 0.00 O ATOM 1422 CB PRO A 95 -27.575 61.705 1.718 1.00 0.00 C ATOM 1423 CG PRO A 95 -28.730 61.082 0.999 1.00 0.00 C ATOM 1424 CD PRO A 95 -28.839 59.660 1.483 1.00 0.00 C ATOM 0 HA PRO A 95 -26.473 60.880 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -27.732 62.774 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -26.651 61.593 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -29.650 61.629 1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -28.573 61.111 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -29.880 59.358 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -28.384 58.963 0.779 1.00 0.00 H new ATOM 1432 N PRO A 96 -27.663 62.781 4.655 1.00 0.00 N ATOM 1433 CA PRO A 96 -28.322 63.598 5.703 1.00 0.00 C ATOM 1434 C PRO A 96 -29.444 64.430 5.077 1.00 0.00 C ATOM 1435 O PRO A 96 -29.417 64.729 3.898 1.00 0.00 O ATOM 1436 CB PRO A 96 -27.203 64.497 6.220 1.00 0.00 C ATOM 1437 CG PRO A 96 -26.233 64.593 5.087 1.00 0.00 C ATOM 1438 CD PRO A 96 -26.323 63.301 4.320 1.00 0.00 C ATOM 0 HA PRO A 96 -28.776 63.004 6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -27.583 65.480 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -26.733 64.073 7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -26.473 65.440 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -25.221 64.751 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -26.215 63.465 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -25.539 62.605 4.617 1.00 0.00 H new ATOM 1446 N TYR A 97 -30.427 64.810 5.855 1.00 0.00 N ATOM 1447 CA TYR A 97 -31.557 65.631 5.309 1.00 0.00 C ATOM 1448 C TYR A 97 -32.171 64.957 4.074 1.00 0.00 C ATOM 1449 O TYR A 97 -31.961 65.382 2.953 1.00 0.00 O ATOM 1450 CB TYR A 97 -30.927 66.978 4.932 1.00 0.00 C ATOM 1451 CG TYR A 97 -31.947 68.078 5.090 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -32.206 68.617 6.356 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -32.627 68.566 3.969 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -33.147 69.644 6.500 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -33.569 69.592 4.112 1.00 0.00 C ATOM 1456 CZ TYR A 97 -33.828 70.132 5.378 1.00 0.00 C ATOM 1457 OH TYR A 97 -34.755 71.144 5.520 1.00 0.00 O ATOM 0 H TYR A 97 -30.498 64.587 6.848 1.00 0.00 H new ATOM 0 HA TYR A 97 -32.364 65.745 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -30.063 67.176 5.566 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -30.567 66.947 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -31.680 68.241 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -32.425 68.151 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -33.348 70.060 7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -34.095 69.967 3.247 1.00 0.00 H new ATOM 0 HH TYR A 97 -35.134 71.365 4.644 1.00 0.00 H new ATOM 1467 N SER A 98 -32.930 63.912 4.278 1.00 0.00 N ATOM 1468 CA SER A 98 -33.567 63.207 3.124 1.00 0.00 C ATOM 1469 C SER A 98 -34.588 64.132 2.442 1.00 0.00 C ATOM 1470 O SER A 98 -34.508 64.356 1.252 1.00 0.00 O ATOM 1471 CB SER A 98 -34.271 61.988 3.729 1.00 0.00 C ATOM 1472 OG SER A 98 -33.514 60.819 3.454 1.00 0.00 O ATOM 0 H SER A 98 -33.137 63.515 5.195 1.00 0.00 H new ATOM 0 HA SER A 98 -32.838 62.917 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 98 -34.383 62.117 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 98 -35.274 61.891 3.314 1.00 0.00 H new ATOM 0 HG SER A 98 -33.963 60.039 3.842 1.00 0.00 H new ATOM 1478 N PRO A 99 -35.525 64.644 3.217 1.00 0.00 N ATOM 1479 CA PRO A 99 -36.557 65.544 2.645 1.00 0.00 C ATOM 1480 C PRO A 99 -35.969 66.933 2.382 1.00 0.00 C ATOM 1481 O PRO A 99 -35.815 67.679 3.337 1.00 0.00 O ATOM 1482 CB PRO A 99 -37.624 65.612 3.733 1.00 0.00 C ATOM 1483 CG PRO A 99 -36.901 65.321 5.010 1.00 0.00 C ATOM 1484 CD PRO A 99 -35.718 64.444 4.669 1.00 0.00 C ATOM 1485 OXT PRO A 99 -35.681 67.226 1.234 1.00 0.00 O ATOM 0 HA PRO A 99 -36.948 65.189 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -38.095 66.595 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -38.416 64.885 3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -36.570 66.246 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -37.560 64.819 5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -34.831 64.735 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -35.917 63.398 4.904 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.332 -2.417 -1.890 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.728 1.190 -2.712 1.00 0.00 ZN