USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 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 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.187 K(o=0.19,f=-4.9!) USER MOD Set 2.1: A 81 GLN : amide:sc= 0.901 K(o=2,f=-4) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 165:sc= 1.05 (180deg=0) USER MOD Set 3.1: A 24 ASN : amide:sc= -0.132 K(o=-0.13,f=-3.2!) USER MOD Set 3.2: A 107 MET CE :methyl 164:sc= 0 (180deg=-0.0437) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00112 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -0.0376 (180deg=-0.228) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -89:sc= 0.245 USER MOD Single : A 39 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.37) USER MOD Single : A 40 SER OG : rot -11:sc= 0.806 USER MOD Single : A 41 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= 0.659 (180deg=0.0151) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.9) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.402 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0.0689 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.27) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 0.732 (180deg=0.239) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= 0.982 (180deg=0.704) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 108 THR OG1 : rot 82:sc= 1.17 USER MOD Single : A 109 ASN : amide:sc= 0.689 K(o=0.69,f=0.029) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -3.535 -9.174 -10.834 1.00 60.45 N ATOM 19 CA GLY A 2 -2.225 -8.900 -11.419 1.00 25.23 C ATOM 20 C GLY A 2 -2.218 -7.529 -12.066 1.00 74.45 C ATOM 21 O GLY A 2 -2.168 -7.389 -13.289 1.00 34.04 O ATOM 0 HA2 GLY A 2 -1.456 -8.950 -10.648 1.00 25.23 H new ATOM 0 HA3 GLY A 2 -1.983 -9.661 -12.160 1.00 25.23 H new ATOM 25 N ILE A 3 -2.309 -6.493 -11.240 1.00 12.15 N ATOM 26 CA ILE A 3 -2.338 -5.103 -11.692 1.00 3.42 C ATOM 27 C ILE A 3 -0.932 -4.713 -12.156 1.00 31.20 C ATOM 28 O ILE A 3 0.058 -5.221 -11.633 1.00 34.31 O ATOM 29 CB ILE A 3 -2.846 -4.179 -10.563 1.00 24.51 C ATOM 30 CG1 ILE A 3 -4.098 -4.791 -9.899 1.00 63.35 C ATOM 31 CG2 ILE A 3 -3.173 -2.771 -11.089 1.00 51.11 C ATOM 32 CD1 ILE A 3 -4.720 -3.889 -8.834 1.00 71.22 C ATOM 0 H ILE A 3 -2.365 -6.593 -10.227 1.00 12.15 H new ATOM 0 HA ILE A 3 -3.029 -4.992 -12.528 1.00 3.42 H new ATOM 0 HB ILE A 3 -2.049 -4.088 -9.825 1.00 24.51 H new ATOM 0 HG12 ILE A 3 -4.842 -5.001 -10.667 1.00 63.35 H new ATOM 0 HG13 ILE A 3 -3.830 -5.745 -9.446 1.00 63.35 H new ATOM 0 HG21 ILE A 3 -3.527 -2.149 -10.267 1.00 51.11 H new ATOM 0 HG22 ILE A 3 -2.276 -2.326 -11.520 1.00 51.11 H new ATOM 0 HG23 ILE A 3 -3.948 -2.839 -11.853 1.00 51.11 H new ATOM 0 HD11 ILE A 3 -5.595 -4.379 -8.408 1.00 71.22 H new ATOM 0 HD12 ILE A 3 -3.991 -3.700 -8.046 1.00 71.22 H new ATOM 0 HD13 ILE A 3 -5.018 -2.944 -9.287 1.00 71.22 H new ATOM 44 N THR A 4 -0.834 -3.792 -13.105 1.00 40.15 N ATOM 45 CA THR A 4 0.424 -3.149 -13.451 1.00 4.30 C ATOM 46 C THR A 4 0.617 -1.982 -12.486 1.00 21.43 C ATOM 47 O THR A 4 -0.274 -1.138 -12.376 1.00 34.31 O ATOM 48 CB THR A 4 0.351 -2.654 -14.899 1.00 70.13 C ATOM 49 OG1 THR A 4 0.139 -3.760 -15.758 1.00 35.43 O ATOM 50 CG2 THR A 4 1.631 -1.919 -15.312 1.00 33.20 C ATOM 0 H THR A 4 -1.628 -3.469 -13.658 1.00 40.15 H new ATOM 0 HA THR A 4 1.264 -3.839 -13.371 1.00 4.30 H new ATOM 0 HB THR A 4 -0.477 -1.949 -14.977 1.00 70.13 H new ATOM 0 HG1 THR A 4 0.090 -3.449 -16.686 1.00 35.43 H new ATOM 0 HG21 THR A 4 1.541 -1.583 -16.345 1.00 33.20 H new ATOM 0 HG22 THR A 4 1.781 -1.057 -14.662 1.00 33.20 H new ATOM 0 HG23 THR A 4 2.483 -2.593 -15.223 1.00 33.20 H new ATOM 58 N ILE A 5 1.763 -1.906 -11.808 1.00 41.23 N ATOM 59 CA ILE A 5 2.143 -0.712 -11.061 1.00 52.10 C ATOM 60 C ILE A 5 2.943 0.196 -11.987 1.00 30.34 C ATOM 61 O ILE A 5 3.688 -0.283 -12.843 1.00 64.32 O ATOM 62 CB ILE A 5 2.938 -1.085 -9.791 1.00 23.14 C ATOM 63 CG1 ILE A 5 2.182 -2.097 -8.903 1.00 64.13 C ATOM 64 CG2 ILE A 5 3.336 0.158 -8.971 1.00 22.10 C ATOM 65 CD1 ILE A 5 0.776 -1.670 -8.463 1.00 1.43 C ATOM 0 H ILE A 5 2.445 -2.663 -11.763 1.00 41.23 H new ATOM 0 HA ILE A 5 1.253 -0.182 -10.722 1.00 52.10 H new ATOM 0 HB ILE A 5 3.852 -1.566 -10.140 1.00 23.14 H new ATOM 0 HG12 ILE A 5 2.103 -3.040 -9.444 1.00 64.13 H new ATOM 0 HG13 ILE A 5 2.780 -2.289 -8.012 1.00 64.13 H new ATOM 0 HG21 ILE A 5 3.893 -0.152 -8.087 1.00 22.10 H new ATOM 0 HG22 ILE A 5 3.959 0.812 -9.581 1.00 22.10 H new ATOM 0 HG23 ILE A 5 2.438 0.694 -8.664 1.00 22.10 H new ATOM 0 HD11 ILE A 5 0.335 -2.452 -7.845 1.00 1.43 H new ATOM 0 HD12 ILE A 5 0.839 -0.746 -7.889 1.00 1.43 H new ATOM 0 HD13 ILE A 5 0.153 -1.509 -9.343 1.00 1.43 H new ATOM 77 N THR A 6 2.825 1.499 -11.764 1.00 45.10 N ATOM 78 CA THR A 6 3.671 2.524 -12.343 1.00 20.21 C ATOM 79 C THR A 6 4.267 3.339 -11.200 1.00 40.24 C ATOM 80 O THR A 6 3.547 3.726 -10.281 1.00 14.52 O ATOM 81 CB THR A 6 2.860 3.362 -13.349 1.00 41.34 C ATOM 82 OG1 THR A 6 1.534 3.663 -12.940 1.00 65.33 O ATOM 83 CG2 THR A 6 2.744 2.587 -14.653 1.00 61.01 C ATOM 0 H THR A 6 2.107 1.881 -11.149 1.00 45.10 H new ATOM 0 HA THR A 6 4.497 2.097 -12.912 1.00 20.21 H new ATOM 0 HB THR A 6 3.401 4.304 -13.443 1.00 41.34 H new ATOM 0 HG1 THR A 6 1.091 4.197 -13.632 1.00 65.33 H new ATOM 0 HG21 THR A 6 2.171 3.171 -15.374 1.00 61.01 H new ATOM 0 HG22 THR A 6 3.740 2.395 -15.052 1.00 61.01 H new ATOM 0 HG23 THR A 6 2.237 1.640 -14.469 1.00 61.01 H new ATOM 91 N ASP A 7 5.580 3.585 -11.234 1.00 21.22 N ATOM 92 CA ASP A 7 6.291 4.351 -10.205 1.00 13.35 C ATOM 93 C ASP A 7 5.809 5.800 -10.191 1.00 54.31 C ATOM 94 O ASP A 7 5.873 6.460 -9.159 1.00 42.53 O ATOM 95 CB ASP A 7 7.810 4.299 -10.412 1.00 5.30 C ATOM 96 CG ASP A 7 8.351 2.886 -10.222 1.00 63.21 C ATOM 97 OD1 ASP A 7 8.105 2.286 -9.146 1.00 13.22 O ATOM 98 OD2 ASP A 7 8.839 2.289 -11.206 1.00 21.23 O ATOM 0 H ASP A 7 6.186 3.254 -11.985 1.00 21.22 H new ATOM 0 HA ASP A 7 6.070 3.893 -9.241 1.00 13.35 H new ATOM 0 HB2 ASP A 7 8.054 4.652 -11.414 1.00 5.30 H new ATOM 0 HB3 ASP A 7 8.298 4.974 -9.709 1.00 5.30 H new ATOM 103 N GLU A 8 5.236 6.267 -11.303 1.00 74.32 N ATOM 104 CA GLU A 8 4.487 7.517 -11.409 1.00 31.22 C ATOM 105 C GLU A 8 3.350 7.539 -10.377 1.00 24.43 C ATOM 106 O GLU A 8 3.211 8.483 -9.593 1.00 22.13 O ATOM 107 CB GLU A 8 3.942 7.594 -12.847 1.00 32.53 C ATOM 108 CG GLU A 8 4.834 8.396 -13.810 1.00 63.55 C ATOM 109 CD GLU A 8 4.487 9.886 -13.928 1.00 13.24 C ATOM 110 OE1 GLU A 8 3.492 10.347 -13.313 1.00 65.42 O ATOM 111 OE2 GLU A 8 5.162 10.608 -14.689 1.00 70.01 O ATOM 0 H GLU A 8 5.284 5.763 -12.188 1.00 74.32 H new ATOM 0 HA GLU A 8 5.121 8.379 -11.203 1.00 31.22 H new ATOM 0 HB2 GLU A 8 3.824 6.582 -13.235 1.00 32.53 H new ATOM 0 HB3 GLU A 8 2.950 8.045 -12.825 1.00 32.53 H new ATOM 0 HG2 GLU A 8 5.870 8.305 -13.483 1.00 63.55 H new ATOM 0 HG3 GLU A 8 4.771 7.944 -14.800 1.00 63.55 H new ATOM 118 N LEU A 9 2.546 6.472 -10.345 1.00 73.15 N ATOM 119 CA LEU A 9 1.424 6.327 -9.422 1.00 71.24 C ATOM 120 C LEU A 9 1.882 6.099 -7.987 1.00 23.53 C ATOM 121 O LEU A 9 1.052 6.124 -7.078 1.00 72.24 O ATOM 122 CB LEU A 9 0.510 5.163 -9.848 1.00 44.14 C ATOM 123 CG LEU A 9 -0.841 5.641 -10.396 1.00 70.03 C ATOM 124 CD1 LEU A 9 -1.596 4.425 -10.946 1.00 3.35 C ATOM 125 CD2 LEU A 9 -1.692 6.316 -9.314 1.00 74.20 C ATOM 0 H LEU A 9 2.661 5.674 -10.970 1.00 73.15 H new ATOM 0 HA LEU A 9 0.871 7.265 -9.461 1.00 71.24 H new ATOM 0 HB2 LEU A 9 1.016 4.569 -10.609 1.00 44.14 H new ATOM 0 HB3 LEU A 9 0.340 4.509 -8.993 1.00 44.14 H new ATOM 0 HG LEU A 9 -0.656 6.378 -11.177 1.00 70.03 H new ATOM 0 HD11 LEU A 9 -2.561 4.744 -11.341 1.00 3.35 H new ATOM 0 HD12 LEU A 9 -1.012 3.964 -11.743 1.00 3.35 H new ATOM 0 HD13 LEU A 9 -1.753 3.702 -10.146 1.00 3.35 H new ATOM 0 HD21 LEU A 9 -2.640 6.639 -9.745 1.00 74.20 H new ATOM 0 HD22 LEU A 9 -1.883 5.608 -8.507 1.00 74.20 H new ATOM 0 HD23 LEU A 9 -1.159 7.181 -8.919 1.00 74.20 H new ATOM 137 N LEU A 10 3.169 5.831 -7.761 1.00 41.20 N ATOM 138 CA LEU A 10 3.747 5.787 -6.426 1.00 54.05 C ATOM 139 C LEU A 10 4.293 7.159 -6.027 1.00 3.23 C ATOM 140 O LEU A 10 4.159 7.560 -4.873 1.00 42.31 O ATOM 141 CB LEU A 10 4.834 4.711 -6.338 1.00 73.33 C ATOM 142 CG LEU A 10 4.424 3.318 -6.854 1.00 13.12 C ATOM 143 CD1 LEU A 10 5.478 2.310 -6.421 1.00 73.44 C ATOM 144 CD2 LEU A 10 3.057 2.847 -6.359 1.00 23.24 C ATOM 0 H LEU A 10 3.839 5.638 -8.505 1.00 41.20 H new ATOM 0 HA LEU A 10 2.959 5.522 -5.721 1.00 54.05 H new ATOM 0 HB2 LEU A 10 5.703 5.048 -6.903 1.00 73.33 H new ATOM 0 HB3 LEU A 10 5.147 4.618 -5.298 1.00 73.33 H new ATOM 0 HG LEU A 10 4.350 3.395 -7.939 1.00 13.12 H new ATOM 0 HD11 LEU A 10 5.202 1.318 -6.779 1.00 73.44 H new ATOM 0 HD12 LEU A 10 6.444 2.591 -6.840 1.00 73.44 H new ATOM 0 HD13 LEU A 10 5.544 2.298 -5.333 1.00 73.44 H new ATOM 0 HD21 LEU A 10 2.843 1.859 -6.767 1.00 23.24 H new ATOM 0 HD22 LEU A 10 3.062 2.797 -5.270 1.00 23.24 H new ATOM 0 HD23 LEU A 10 2.290 3.549 -6.687 1.00 23.24 H new ATOM 156 N TRP A 11 4.876 7.917 -6.958 1.00 20.13 N ATOM 157 CA TRP A 11 5.415 9.242 -6.676 1.00 2.24 C ATOM 158 C TRP A 11 4.343 10.181 -6.127 1.00 44.41 C ATOM 159 O TRP A 11 4.608 10.917 -5.172 1.00 43.31 O ATOM 160 CB TRP A 11 6.123 9.818 -7.910 1.00 23.43 C ATOM 161 CG TRP A 11 7.612 9.717 -7.803 1.00 70.40 C ATOM 162 CD1 TRP A 11 8.400 8.824 -8.444 1.00 13.20 C ATOM 163 CD2 TRP A 11 8.479 10.403 -6.852 1.00 51.11 C ATOM 164 NE1 TRP A 11 9.708 8.970 -8.029 1.00 34.11 N ATOM 165 CE2 TRP A 11 9.803 9.889 -6.998 1.00 11.05 C ATOM 166 CE3 TRP A 11 8.247 11.327 -5.805 1.00 4.01 C ATOM 167 CZ2 TRP A 11 10.830 10.261 -6.115 1.00 11.32 C ATOM 168 CZ3 TRP A 11 9.277 11.708 -4.925 1.00 64.45 C ATOM 169 CH2 TRP A 11 10.565 11.163 -5.072 1.00 14.13 C ATOM 0 H TRP A 11 4.986 7.626 -7.929 1.00 20.13 H new ATOM 0 HA TRP A 11 6.165 9.142 -5.892 1.00 2.24 H new ATOM 0 HB2 TRP A 11 5.787 9.287 -8.801 1.00 23.43 H new ATOM 0 HB3 TRP A 11 5.839 10.863 -8.036 1.00 23.43 H new ATOM 0 HD1 TRP A 11 8.057 8.104 -9.172 1.00 13.20 H new ATOM 0 HE1 TRP A 11 10.500 8.467 -8.429 1.00 34.11 H new ATOM 0 HE3 TRP A 11 7.260 11.748 -5.679 1.00 4.01 H new ATOM 0 HZ2 TRP A 11 11.823 9.854 -6.238 1.00 11.32 H new ATOM 0 HZ3 TRP A 11 9.078 12.419 -4.137 1.00 64.45 H new ATOM 0 HH2 TRP A 11 11.350 11.438 -4.383 1.00 14.13 H new ATOM 180 N ALA A 12 3.121 10.098 -6.661 1.00 1.54 N ATOM 181 CA ALA A 12 1.988 10.906 -6.221 1.00 55.14 C ATOM 182 C ALA A 12 1.703 10.781 -4.718 1.00 1.52 C ATOM 183 O ALA A 12 1.184 11.728 -4.119 1.00 21.32 O ATOM 184 CB ALA A 12 0.752 10.513 -7.029 1.00 71.44 C ATOM 0 H ALA A 12 2.891 9.458 -7.421 1.00 1.54 H new ATOM 0 HA ALA A 12 2.244 11.951 -6.396 1.00 55.14 H new ATOM 0 HB1 ALA A 12 -0.099 11.112 -6.706 1.00 71.44 H new ATOM 0 HB2 ALA A 12 0.939 10.689 -8.088 1.00 71.44 H new ATOM 0 HB3 ALA A 12 0.534 9.457 -6.869 1.00 71.44 H new ATOM 190 N ILE A 13 2.045 9.650 -4.088 1.00 72.32 N ATOM 191 CA ILE A 13 1.754 9.431 -2.679 1.00 51.31 C ATOM 192 C ILE A 13 2.700 10.313 -1.855 1.00 12.14 C ATOM 193 O ILE A 13 2.265 10.925 -0.884 1.00 33.33 O ATOM 194 CB ILE A 13 1.892 7.949 -2.234 1.00 71.12 C ATOM 195 CG1 ILE A 13 1.491 6.818 -3.214 1.00 74.25 C ATOM 196 CG2 ILE A 13 1.040 7.786 -0.962 1.00 11.12 C ATOM 197 CD1 ILE A 13 0.422 7.203 -4.233 1.00 34.53 C ATOM 0 H ILE A 13 2.526 8.873 -4.541 1.00 72.32 H new ATOM 0 HA ILE A 13 0.709 9.694 -2.512 1.00 51.31 H new ATOM 0 HB ILE A 13 2.967 7.808 -2.123 1.00 71.12 H new ATOM 0 HG12 ILE A 13 2.381 6.488 -3.749 1.00 74.25 H new ATOM 0 HG13 ILE A 13 1.132 5.966 -2.636 1.00 74.25 H new ATOM 0 HG21 ILE A 13 1.105 6.757 -0.610 1.00 11.12 H new ATOM 0 HG22 ILE A 13 1.410 8.458 -0.188 1.00 11.12 H new ATOM 0 HG23 ILE A 13 0.001 8.027 -1.187 1.00 11.12 H new ATOM 0 HD11 ILE A 13 0.207 6.349 -4.875 1.00 34.53 H new ATOM 0 HD12 ILE A 13 -0.487 7.503 -3.711 1.00 34.53 H new ATOM 0 HD13 ILE A 13 0.782 8.033 -4.842 1.00 34.53 H new ATOM 209 N LEU A 14 3.995 10.383 -2.201 1.00 31.41 N ATOM 210 CA LEU A 14 4.969 11.223 -1.512 1.00 71.10 C ATOM 211 C LEU A 14 4.702 12.696 -1.780 1.00 43.43 C ATOM 212 O LEU A 14 4.881 13.531 -0.889 1.00 34.23 O ATOM 213 CB LEU A 14 6.396 10.889 -1.961 1.00 20.13 C ATOM 214 CG LEU A 14 6.853 9.442 -1.715 1.00 63.01 C ATOM 215 CD1 LEU A 14 6.411 8.840 -0.374 1.00 52.44 C ATOM 216 CD2 LEU A 14 6.459 8.492 -2.833 1.00 22.43 C ATOM 0 H LEU A 14 4.392 9.851 -2.975 1.00 31.41 H new ATOM 0 HA LEU A 14 4.869 11.025 -0.445 1.00 71.10 H new ATOM 0 HB2 LEU A 14 6.480 11.100 -3.027 1.00 20.13 H new ATOM 0 HB3 LEU A 14 7.085 11.560 -1.448 1.00 20.13 H new ATOM 0 HG LEU A 14 7.938 9.540 -1.686 1.00 63.01 H new ATOM 0 HD11 LEU A 14 6.782 7.818 -0.294 1.00 52.44 H new ATOM 0 HD12 LEU A 14 6.815 9.437 0.444 1.00 52.44 H new ATOM 0 HD13 LEU A 14 5.322 8.837 -0.318 1.00 52.44 H new ATOM 0 HD21 LEU A 14 6.811 7.488 -2.598 1.00 22.43 H new ATOM 0 HD22 LEU A 14 5.374 8.481 -2.936 1.00 22.43 H new ATOM 0 HD23 LEU A 14 6.909 8.825 -3.768 1.00 22.43 H new ATOM 228 N LYS A 15 4.251 13.024 -2.994 1.00 75.43 N ATOM 229 CA LYS A 15 3.748 14.354 -3.312 1.00 64.23 C ATOM 230 C LYS A 15 2.488 14.681 -2.510 1.00 14.30 C ATOM 231 O LYS A 15 2.104 15.850 -2.477 1.00 64.50 O ATOM 232 CB LYS A 15 3.493 14.472 -4.825 1.00 62.44 C ATOM 233 CG LYS A 15 4.748 14.264 -5.693 1.00 63.32 C ATOM 234 CD LYS A 15 5.827 15.325 -5.443 1.00 13.53 C ATOM 235 CE LYS A 15 6.982 15.271 -6.449 1.00 1.22 C ATOM 236 NZ LYS A 15 6.541 15.494 -7.841 1.00 2.22 N ATOM 0 H LYS A 15 4.226 12.373 -3.779 1.00 75.43 H new ATOM 0 HA LYS A 15 4.505 15.085 -3.030 1.00 64.23 H new ATOM 0 HB2 LYS A 15 2.739 13.739 -5.114 1.00 62.44 H new ATOM 0 HB3 LYS A 15 3.077 15.457 -5.037 1.00 62.44 H new ATOM 0 HG2 LYS A 15 5.163 13.276 -5.493 1.00 63.32 H new ATOM 0 HG3 LYS A 15 4.464 14.283 -6.745 1.00 63.32 H new ATOM 0 HD2 LYS A 15 5.369 16.313 -5.480 1.00 13.53 H new ATOM 0 HD3 LYS A 15 6.226 15.196 -4.437 1.00 13.53 H new ATOM 0 HE2 LYS A 15 7.724 16.023 -6.183 1.00 1.22 H new ATOM 0 HE3 LYS A 15 7.473 14.300 -6.380 1.00 1.22 H new ATOM 0 HZ1 LYS A 15 7.369 15.683 -8.441 1.00 2.22 H new ATOM 0 HZ2 LYS A 15 6.047 14.647 -8.189 1.00 2.22 H new ATOM 0 HZ3 LYS A 15 5.896 16.309 -7.874 1.00 2.22 H new ATOM 250 N ASP A 16 1.870 13.708 -1.824 1.00 1.22 N ATOM 251 CA ASP A 16 0.632 13.847 -1.051 1.00 63.11 C ATOM 252 C ASP A 16 -0.462 14.462 -1.928 1.00 3.50 C ATOM 253 O ASP A 16 -1.238 15.309 -1.486 1.00 74.13 O ATOM 254 CB ASP A 16 0.935 14.633 0.232 1.00 62.13 C ATOM 255 CG ASP A 16 -0.213 14.892 1.213 1.00 71.21 C ATOM 256 OD1 ASP A 16 -1.057 14.009 1.497 1.00 13.24 O ATOM 257 OD2 ASP A 16 -0.166 15.981 1.839 1.00 23.23 O ATOM 0 H ASP A 16 2.240 12.758 -1.793 1.00 1.22 H new ATOM 0 HA ASP A 16 0.245 12.877 -0.738 1.00 63.11 H new ATOM 0 HB2 ASP A 16 1.719 14.101 0.771 1.00 62.13 H new ATOM 0 HB3 ASP A 16 1.348 15.599 -0.059 1.00 62.13 H new ATOM 262 N GLU A 17 -0.456 14.117 -3.219 1.00 12.15 N ATOM 263 CA GLU A 17 -1.486 14.478 -4.165 1.00 51.00 C ATOM 264 C GLU A 17 -2.689 13.559 -3.954 1.00 12.45 C ATOM 265 O GLU A 17 -3.828 14.029 -3.979 1.00 63.52 O ATOM 266 CB GLU A 17 -0.873 14.392 -5.573 1.00 52.31 C ATOM 267 CG GLU A 17 -1.883 14.135 -6.692 1.00 21.04 C ATOM 268 CD GLU A 17 -3.018 15.159 -6.833 1.00 71.10 C ATOM 269 OE1 GLU A 17 -3.027 16.211 -6.146 1.00 22.42 O ATOM 270 OE2 GLU A 17 -3.922 14.927 -7.671 1.00 31.23 O ATOM 0 H GLU A 17 0.293 13.563 -3.635 1.00 12.15 H new ATOM 0 HA GLU A 17 -1.850 15.496 -4.028 1.00 51.00 H new ATOM 0 HB2 GLU A 17 -0.347 15.323 -5.783 1.00 52.31 H new ATOM 0 HB3 GLU A 17 -0.129 13.596 -5.583 1.00 52.31 H new ATOM 0 HG2 GLU A 17 -1.342 14.091 -7.637 1.00 21.04 H new ATOM 0 HG3 GLU A 17 -2.327 13.152 -6.533 1.00 21.04 H new ATOM 277 N LEU A 18 -2.438 12.266 -3.708 1.00 10.33 N ATOM 278 CA LEU A 18 -3.474 11.275 -3.436 1.00 11.44 C ATOM 279 C LEU A 18 -4.374 11.744 -2.315 1.00 64.50 C ATOM 280 O LEU A 18 -3.966 12.513 -1.437 1.00 24.41 O ATOM 281 CB LEU A 18 -2.870 9.945 -2.972 1.00 14.32 C ATOM 282 CG LEU A 18 -2.896 8.802 -3.994 1.00 64.41 C ATOM 283 CD1 LEU A 18 -4.306 8.297 -4.280 1.00 12.43 C ATOM 284 CD2 LEU A 18 -2.156 9.145 -5.290 1.00 71.00 C ATOM 0 H LEU A 18 -1.494 11.879 -3.693 1.00 10.33 H new ATOM 0 HA LEU A 18 -4.026 11.143 -4.367 1.00 11.44 H new ATOM 0 HB2 LEU A 18 -1.835 10.121 -2.680 1.00 14.32 H new ATOM 0 HB3 LEU A 18 -3.402 9.619 -2.078 1.00 14.32 H new ATOM 0 HG LEU A 18 -2.352 7.984 -3.523 1.00 64.41 H new ATOM 0 HD11 LEU A 18 -4.262 7.489 -5.010 1.00 12.43 H new ATOM 0 HD12 LEU A 18 -4.755 7.929 -3.357 1.00 12.43 H new ATOM 0 HD13 LEU A 18 -4.911 9.112 -4.677 1.00 12.43 H new ATOM 0 HD21 LEU A 18 -2.209 8.298 -5.974 1.00 71.00 H new ATOM 0 HD22 LEU A 18 -2.619 10.016 -5.754 1.00 71.00 H new ATOM 0 HD23 LEU A 18 -1.112 9.366 -5.066 1.00 71.00 H new ATOM 296 N SER A 19 -5.552 11.149 -2.277 1.00 34.14 N ATOM 297 CA SER A 19 -6.533 11.445 -1.253 1.00 0.14 C ATOM 298 C SER A 19 -6.540 10.355 -0.186 1.00 53.25 C ATOM 299 O SER A 19 -5.829 9.370 -0.339 1.00 33.52 O ATOM 300 CB SER A 19 -7.896 11.621 -1.914 1.00 44.43 C ATOM 301 OG SER A 19 -7.851 12.646 -2.887 1.00 73.10 O ATOM 0 H SER A 19 -5.854 10.449 -2.954 1.00 34.14 H new ATOM 0 HA SER A 19 -6.277 12.374 -0.743 1.00 0.14 H new ATOM 0 HB2 SER A 19 -8.204 10.684 -2.379 1.00 44.43 H new ATOM 0 HB3 SER A 19 -8.644 11.862 -1.158 1.00 44.43 H new ATOM 0 HG SER A 19 -8.734 12.743 -3.301 1.00 73.10 H new ATOM 307 N ASP A 20 -7.295 10.517 0.905 1.00 42.01 N ATOM 308 CA ASP A 20 -7.443 9.495 1.949 1.00 30.51 C ATOM 309 C ASP A 20 -7.941 8.190 1.333 1.00 10.20 C ATOM 310 O ASP A 20 -7.254 7.170 1.400 1.00 24.14 O ATOM 311 CB ASP A 20 -8.355 9.963 3.103 1.00 62.42 C ATOM 312 CG ASP A 20 -9.618 10.705 2.655 1.00 54.20 C ATOM 313 OD1 ASP A 20 -10.602 10.074 2.183 1.00 50.31 O ATOM 314 OD2 ASP A 20 -9.583 11.946 2.694 1.00 51.43 O ATOM 0 H ASP A 20 -7.826 11.368 1.091 1.00 42.01 H new ATOM 0 HA ASP A 20 -6.461 9.321 2.390 1.00 30.51 H new ATOM 0 HB2 ASP A 20 -8.649 9.094 3.692 1.00 62.42 H new ATOM 0 HB3 ASP A 20 -7.781 10.615 3.762 1.00 62.42 H new ATOM 319 N ALA A 21 -9.109 8.245 0.696 1.00 52.42 N ATOM 320 CA ALA A 21 -9.754 7.108 0.081 1.00 30.42 C ATOM 321 C ALA A 21 -8.873 6.519 -1.009 1.00 64.45 C ATOM 322 O ALA A 21 -8.627 5.318 -0.991 1.00 0.42 O ATOM 323 CB ALA A 21 -11.101 7.543 -0.486 1.00 52.15 C ATOM 0 H ALA A 21 -9.640 9.110 0.596 1.00 52.42 H new ATOM 0 HA ALA A 21 -9.915 6.334 0.831 1.00 30.42 H new ATOM 0 HB1 ALA A 21 -11.593 6.689 -0.952 1.00 52.15 H new ATOM 0 HB2 ALA A 21 -11.727 7.928 0.319 1.00 52.15 H new ATOM 0 HB3 ALA A 21 -10.947 8.324 -1.231 1.00 52.15 H new ATOM 329 N GLU A 22 -8.406 7.341 -1.954 1.00 64.34 N ATOM 330 CA GLU A 22 -7.651 6.829 -3.091 1.00 41.15 C ATOM 331 C GLU A 22 -6.288 6.282 -2.634 1.00 35.01 C ATOM 332 O GLU A 22 -5.808 5.303 -3.203 1.00 73.44 O ATOM 333 CB GLU A 22 -7.521 7.890 -4.202 1.00 23.31 C ATOM 334 CG GLU A 22 -8.857 8.227 -4.884 1.00 0.12 C ATOM 335 CD GLU A 22 -8.709 8.571 -6.377 1.00 1.32 C ATOM 336 OE1 GLU A 22 -8.250 7.689 -7.147 1.00 20.14 O ATOM 337 OE2 GLU A 22 -9.096 9.688 -6.790 1.00 42.53 O ATOM 0 H GLU A 22 -8.538 8.352 -1.951 1.00 64.34 H new ATOM 0 HA GLU A 22 -8.203 5.995 -3.526 1.00 41.15 H new ATOM 0 HB2 GLU A 22 -7.099 8.801 -3.777 1.00 23.31 H new ATOM 0 HB3 GLU A 22 -6.817 7.533 -4.954 1.00 23.31 H new ATOM 0 HG2 GLU A 22 -9.534 7.380 -4.779 1.00 0.12 H new ATOM 0 HG3 GLU A 22 -9.318 9.069 -4.368 1.00 0.12 H new ATOM 344 N ALA A 23 -5.660 6.863 -1.600 1.00 13.15 N ATOM 345 CA ALA A 23 -4.391 6.360 -1.090 1.00 5.11 C ATOM 346 C ALA A 23 -4.578 4.967 -0.522 1.00 72.11 C ATOM 347 O ALA A 23 -3.781 4.083 -0.814 1.00 21.41 O ATOM 348 CB ALA A 23 -3.789 7.253 -0.005 1.00 42.51 C ATOM 0 H ALA A 23 -6.016 7.681 -1.106 1.00 13.15 H new ATOM 0 HA ALA A 23 -3.701 6.348 -1.934 1.00 5.11 H new ATOM 0 HB1 ALA A 23 -2.845 6.826 0.335 1.00 42.51 H new ATOM 0 HB2 ALA A 23 -3.612 8.249 -0.411 1.00 42.51 H new ATOM 0 HB3 ALA A 23 -4.480 7.321 0.835 1.00 42.51 H new ATOM 354 N ASN A 24 -5.618 4.790 0.296 1.00 51.42 N ATOM 355 CA ASN A 24 -6.024 3.490 0.815 1.00 62.10 C ATOM 356 C ASN A 24 -6.273 2.552 -0.378 1.00 54.22 C ATOM 357 O ASN A 24 -5.713 1.456 -0.447 1.00 31.24 O ATOM 358 CB ASN A 24 -7.282 3.647 1.701 1.00 51.52 C ATOM 359 CG ASN A 24 -7.047 3.618 3.219 1.00 3.45 C ATOM 360 OD1 ASN A 24 -6.036 3.135 3.728 1.00 32.23 O ATOM 361 ND2 ASN A 24 -7.993 4.115 4.010 1.00 25.20 N ATOM 0 H ASN A 24 -6.207 5.558 0.618 1.00 51.42 H new ATOM 0 HA ASN A 24 -5.243 3.060 1.442 1.00 62.10 H new ATOM 0 HB2 ASN A 24 -7.765 4.590 1.447 1.00 51.52 H new ATOM 0 HB3 ASN A 24 -7.982 2.851 1.447 1.00 51.52 H new ATOM 0 HD21 ASN A 24 -7.875 4.092 5.023 1.00 25.20 H new ATOM 0 HD22 ASN A 24 -8.837 4.519 3.604 1.00 25.20 H new ATOM 368 N ALA A 25 -7.082 3.007 -1.341 1.00 1.33 N ATOM 369 CA ALA A 25 -7.546 2.235 -2.479 1.00 42.12 C ATOM 370 C ALA A 25 -6.408 1.676 -3.318 1.00 32.53 C ATOM 371 O ALA A 25 -6.466 0.490 -3.626 1.00 53.22 O ATOM 372 CB ALA A 25 -8.461 3.064 -3.378 1.00 71.25 C ATOM 0 H ALA A 25 -7.441 3.962 -1.341 1.00 1.33 H new ATOM 0 HA ALA A 25 -8.102 1.398 -2.057 1.00 42.12 H new ATOM 0 HB1 ALA A 25 -8.791 2.456 -4.221 1.00 71.25 H new ATOM 0 HB2 ALA A 25 -9.329 3.395 -2.808 1.00 71.25 H new ATOM 0 HB3 ALA A 25 -7.917 3.933 -3.748 1.00 71.25 H new ATOM 378 N LEU A 26 -5.395 2.468 -3.706 1.00 11.22 N ATOM 379 CA LEU A 26 -4.325 1.996 -4.590 1.00 40.11 C ATOM 380 C LEU A 26 -3.547 0.825 -3.984 1.00 31.15 C ATOM 381 O LEU A 26 -2.925 0.065 -4.726 1.00 72.43 O ATOM 382 CB LEU A 26 -3.351 3.147 -4.890 1.00 32.40 C ATOM 383 CG LEU A 26 -3.881 4.217 -5.863 1.00 61.34 C ATOM 384 CD1 LEU A 26 -2.875 5.365 -5.937 1.00 2.41 C ATOM 385 CD2 LEU A 26 -4.097 3.664 -7.277 1.00 72.21 C ATOM 0 H LEU A 26 -5.298 3.442 -3.418 1.00 11.22 H new ATOM 0 HA LEU A 26 -4.796 1.646 -5.509 1.00 40.11 H new ATOM 0 HB2 LEU A 26 -3.086 3.632 -3.950 1.00 32.40 H new ATOM 0 HB3 LEU A 26 -2.433 2.727 -5.301 1.00 32.40 H new ATOM 0 HG LEU A 26 -4.845 4.557 -5.484 1.00 61.34 H new ATOM 0 HD11 LEU A 26 -3.243 6.127 -6.624 1.00 2.41 H new ATOM 0 HD12 LEU A 26 -2.747 5.801 -4.946 1.00 2.41 H new ATOM 0 HD13 LEU A 26 -1.917 4.987 -6.294 1.00 2.41 H new ATOM 0 HD21 LEU A 26 -4.471 4.457 -7.925 1.00 72.21 H new ATOM 0 HD22 LEU A 26 -3.151 3.290 -7.670 1.00 72.21 H new ATOM 0 HD23 LEU A 26 -4.822 2.851 -7.243 1.00 72.21 H new ATOM 397 N VAL A 27 -3.596 0.653 -2.663 1.00 21.02 N ATOM 398 CA VAL A 27 -3.034 -0.496 -1.970 1.00 71.22 C ATOM 399 C VAL A 27 -4.051 -1.646 -2.013 1.00 61.33 C ATOM 400 O VAL A 27 -3.702 -2.761 -2.407 1.00 44.04 O ATOM 401 CB VAL A 27 -2.681 -0.115 -0.519 1.00 12.11 C ATOM 402 CG1 VAL A 27 -1.699 -1.122 0.085 1.00 62.12 C ATOM 403 CG2 VAL A 27 -2.016 1.251 -0.368 1.00 44.50 C ATOM 0 H VAL A 27 -4.038 1.325 -2.036 1.00 21.02 H new ATOM 0 HA VAL A 27 -2.115 -0.819 -2.460 1.00 71.22 H new ATOM 0 HB VAL A 27 -3.645 -0.103 -0.010 1.00 12.11 H new ATOM 0 HG11 VAL A 27 -1.465 -0.832 1.109 1.00 62.12 H new ATOM 0 HG12 VAL A 27 -2.149 -2.115 0.083 1.00 62.12 H new ATOM 0 HG13 VAL A 27 -0.783 -1.137 -0.506 1.00 62.12 H new ATOM 0 HG21 VAL A 27 -1.803 1.437 0.685 1.00 44.50 H new ATOM 0 HG22 VAL A 27 -1.085 1.267 -0.935 1.00 44.50 H new ATOM 0 HG23 VAL A 27 -2.685 2.025 -0.745 1.00 44.50 H new ATOM 413 N TRP A 28 -5.306 -1.379 -1.625 1.00 2.14 N ATOM 414 CA TRP A 28 -6.382 -2.366 -1.569 1.00 11.53 C ATOM 415 C TRP A 28 -6.557 -3.086 -2.905 1.00 50.24 C ATOM 416 O TRP A 28 -6.747 -4.310 -2.928 1.00 62.41 O ATOM 417 CB TRP A 28 -7.707 -1.681 -1.204 1.00 71.52 C ATOM 418 CG TRP A 28 -7.840 -1.017 0.136 1.00 65.22 C ATOM 419 CD1 TRP A 28 -7.028 -1.181 1.205 1.00 35.14 C ATOM 420 CD2 TRP A 28 -8.865 -0.071 0.565 1.00 12.44 C ATOM 421 NE1 TRP A 28 -7.481 -0.414 2.262 1.00 21.42 N ATOM 422 CE2 TRP A 28 -8.623 0.274 1.927 1.00 54.41 C ATOM 423 CE3 TRP A 28 -9.984 0.525 -0.056 1.00 50.11 C ATOM 424 CZ2 TRP A 28 -9.459 1.144 2.643 1.00 33.54 C ATOM 425 CZ3 TRP A 28 -10.802 1.441 0.634 1.00 3.21 C ATOM 426 CH2 TRP A 28 -10.537 1.753 1.980 1.00 10.02 C ATOM 0 H TRP A 28 -5.603 -0.447 -1.335 1.00 2.14 H new ATOM 0 HA TRP A 28 -6.111 -3.098 -0.809 1.00 11.53 H new ATOM 0 HB2 TRP A 28 -7.908 -0.928 -1.966 1.00 71.52 H new ATOM 0 HB3 TRP A 28 -8.496 -2.429 -1.280 1.00 71.52 H new ATOM 0 HD1 TRP A 28 -6.155 -1.817 1.229 1.00 35.14 H new ATOM 0 HE1 TRP A 28 -7.026 -0.365 3.174 1.00 21.42 H new ATOM 0 HE3 TRP A 28 -10.217 0.274 -1.080 1.00 50.11 H new ATOM 0 HZ2 TRP A 28 -9.276 1.343 3.689 1.00 33.54 H new ATOM 0 HZ3 TRP A 28 -11.635 1.905 0.128 1.00 3.21 H new ATOM 0 HH2 TRP A 28 -11.163 2.461 2.503 1.00 10.02 H new ATOM 437 N GLN A 29 -6.482 -2.334 -4.014 1.00 4.14 N ATOM 438 CA GLN A 29 -6.612 -2.896 -5.349 1.00 70.30 C ATOM 439 C GLN A 29 -5.596 -4.023 -5.543 1.00 33.22 C ATOM 440 O GLN A 29 -5.985 -5.132 -5.896 1.00 62.54 O ATOM 441 CB GLN A 29 -6.555 -1.822 -6.453 1.00 53.32 C ATOM 442 CG GLN A 29 -5.363 -0.878 -6.465 1.00 0.30 C ATOM 443 CD GLN A 29 -5.177 -0.099 -7.771 1.00 51.24 C ATOM 444 OE1 GLN A 29 -4.095 -0.106 -8.353 1.00 4.23 O ATOM 445 NE2 GLN A 29 -6.191 0.592 -8.268 1.00 52.13 N ATOM 0 H GLN A 29 -6.330 -1.325 -4.001 1.00 4.14 H new ATOM 0 HA GLN A 29 -7.607 -3.332 -5.443 1.00 70.30 H new ATOM 0 HB2 GLN A 29 -6.589 -2.330 -7.417 1.00 53.32 H new ATOM 0 HB3 GLN A 29 -7.459 -1.218 -6.379 1.00 53.32 H new ATOM 0 HG2 GLN A 29 -5.472 -0.167 -5.646 1.00 0.30 H new ATOM 0 HG3 GLN A 29 -4.459 -1.454 -6.269 1.00 0.30 H new ATOM 0 HE21 GLN A 29 -7.089 0.598 -7.785 1.00 52.13 H new ATOM 0 HE22 GLN A 29 -6.074 1.118 -9.134 1.00 52.13 H new ATOM 454 N ALA A 30 -4.315 -3.754 -5.273 1.00 32.24 N ATOM 455 CA ALA A 30 -3.213 -4.674 -5.537 1.00 0.32 C ATOM 456 C ALA A 30 -3.332 -5.987 -4.762 1.00 53.24 C ATOM 457 O ALA A 30 -2.912 -7.031 -5.265 1.00 41.34 O ATOM 458 CB ALA A 30 -1.911 -3.964 -5.190 1.00 34.24 C ATOM 0 H ALA A 30 -4.013 -2.873 -4.857 1.00 32.24 H new ATOM 0 HA ALA A 30 -3.238 -4.948 -6.592 1.00 0.32 H new ATOM 0 HB1 ALA A 30 -1.071 -4.632 -5.379 1.00 34.24 H new ATOM 0 HB2 ALA A 30 -1.809 -3.070 -5.805 1.00 34.24 H new ATOM 0 HB3 ALA A 30 -1.920 -3.681 -4.137 1.00 34.24 H new ATOM 464 N LEU A 31 -3.892 -5.958 -3.549 1.00 41.51 N ATOM 465 CA LEU A 31 -4.163 -7.184 -2.807 1.00 1.42 C ATOM 466 C LEU A 31 -5.152 -8.040 -3.584 1.00 40.22 C ATOM 467 O LEU A 31 -4.856 -9.203 -3.853 1.00 73.14 O ATOM 468 CB LEU A 31 -4.673 -6.887 -1.392 1.00 22.25 C ATOM 469 CG LEU A 31 -3.593 -6.364 -0.430 1.00 3.42 C ATOM 470 CD1 LEU A 31 -4.207 -6.150 0.951 1.00 2.24 C ATOM 471 CD2 LEU A 31 -2.431 -7.349 -0.258 1.00 12.31 C ATOM 0 H LEU A 31 -4.164 -5.102 -3.066 1.00 41.51 H new ATOM 0 HA LEU A 31 -3.230 -7.736 -2.694 1.00 1.42 H new ATOM 0 HB2 LEU A 31 -5.475 -6.152 -1.454 1.00 22.25 H new ATOM 0 HB3 LEU A 31 -5.105 -7.797 -0.975 1.00 22.25 H new ATOM 0 HG LEU A 31 -3.212 -5.438 -0.860 1.00 3.42 H new ATOM 0 HD11 LEU A 31 -3.444 -5.779 1.635 1.00 2.24 H new ATOM 0 HD12 LEU A 31 -5.016 -5.423 0.881 1.00 2.24 H new ATOM 0 HD13 LEU A 31 -4.601 -7.095 1.325 1.00 2.24 H new ATOM 0 HD21 LEU A 31 -1.698 -6.930 0.431 1.00 12.31 H new ATOM 0 HD22 LEU A 31 -2.808 -8.290 0.142 1.00 12.31 H new ATOM 0 HD23 LEU A 31 -1.960 -7.528 -1.224 1.00 12.31 H new ATOM 483 N GLY A 32 -6.287 -7.463 -3.984 1.00 12.22 N ATOM 484 CA GLY A 32 -7.331 -8.170 -4.715 1.00 34.50 C ATOM 485 C GLY A 32 -8.669 -8.195 -3.985 1.00 65.34 C ATOM 486 O GLY A 32 -9.501 -9.045 -4.295 1.00 30.42 O ATOM 0 H GLY A 32 -6.506 -6.483 -3.806 1.00 12.22 H new ATOM 0 HA2 GLY A 32 -7.465 -7.699 -5.689 1.00 34.50 H new ATOM 0 HA3 GLY A 32 -7.006 -9.194 -4.898 1.00 34.50 H new ATOM 490 N TYR A 33 -8.890 -7.301 -3.017 1.00 63.21 N ATOM 491 CA TYR A 33 -10.187 -7.211 -2.351 1.00 1.11 C ATOM 492 C TYR A 33 -11.241 -6.591 -3.256 1.00 71.14 C ATOM 493 O TYR A 33 -12.408 -6.921 -3.125 1.00 61.04 O ATOM 494 CB TYR A 33 -10.088 -6.388 -1.068 1.00 25.03 C ATOM 495 CG TYR A 33 -9.423 -7.148 0.050 1.00 61.15 C ATOM 496 CD1 TYR A 33 -10.187 -7.968 0.901 1.00 60.25 C ATOM 497 CD2 TYR A 33 -8.035 -7.051 0.221 1.00 72.22 C ATOM 498 CE1 TYR A 33 -9.568 -8.680 1.944 1.00 14.51 C ATOM 499 CE2 TYR A 33 -7.413 -7.775 1.245 1.00 12.22 C ATOM 500 CZ TYR A 33 -8.172 -8.573 2.120 1.00 21.05 C ATOM 501 OH TYR A 33 -7.540 -9.202 3.142 1.00 35.14 O ATOM 0 H TYR A 33 -8.193 -6.636 -2.681 1.00 63.21 H new ATOM 0 HA TYR A 33 -10.486 -8.231 -2.108 1.00 1.11 H new ATOM 0 HB2 TYR A 33 -9.527 -5.475 -1.267 1.00 25.03 H new ATOM 0 HB3 TYR A 33 -11.087 -6.086 -0.755 1.00 25.03 H new ATOM 0 HD1 TYR A 33 -11.254 -8.051 0.752 1.00 60.25 H new ATOM 0 HD2 TYR A 33 -7.449 -6.422 -0.433 1.00 72.22 H new ATOM 0 HE1 TYR A 33 -10.155 -9.302 2.603 1.00 14.51 H new ATOM 0 HE2 TYR A 33 -6.341 -7.720 1.364 1.00 12.22 H new ATOM 0 HH TYR A 33 -7.528 -8.617 3.928 1.00 35.14 H new ATOM 511 N VAL A 34 -10.855 -5.634 -4.103 1.00 51.41 N ATOM 512 CA VAL A 34 -11.585 -5.175 -5.288 1.00 55.22 C ATOM 513 C VAL A 34 -13.100 -5.034 -5.067 1.00 41.11 C ATOM 514 O VAL A 34 -13.841 -6.001 -5.268 1.00 25.30 O ATOM 515 CB VAL A 34 -11.158 -5.848 -6.604 1.00 74.12 C ATOM 516 CG1 VAL A 34 -11.104 -7.377 -6.574 1.00 13.51 C ATOM 517 CG2 VAL A 34 -12.064 -5.376 -7.748 1.00 24.14 C ATOM 0 H VAL A 34 -9.977 -5.131 -3.974 1.00 51.41 H new ATOM 0 HA VAL A 34 -11.258 -4.146 -5.439 1.00 55.22 H new ATOM 0 HB VAL A 34 -10.127 -5.533 -6.764 1.00 74.12 H new ATOM 0 HG11 VAL A 34 -10.793 -7.749 -7.550 1.00 13.51 H new ATOM 0 HG12 VAL A 34 -10.390 -7.701 -5.817 1.00 13.51 H new ATOM 0 HG13 VAL A 34 -12.091 -7.771 -6.333 1.00 13.51 H new ATOM 0 HG21 VAL A 34 -11.757 -5.856 -8.677 1.00 24.14 H new ATOM 0 HG22 VAL A 34 -13.098 -5.642 -7.527 1.00 24.14 H new ATOM 0 HG23 VAL A 34 -11.982 -4.294 -7.854 1.00 24.14 H new ATOM 527 N TRP A 35 -13.559 -3.840 -4.686 1.00 63.24 N ATOM 528 CA TRP A 35 -14.956 -3.589 -4.357 1.00 74.13 C ATOM 529 C TRP A 35 -15.901 -4.171 -5.402 1.00 51.21 C ATOM 530 O TRP A 35 -15.746 -3.930 -6.608 1.00 34.20 O ATOM 531 CB TRP A 35 -15.208 -2.097 -4.220 1.00 61.13 C ATOM 532 CG TRP A 35 -16.637 -1.750 -3.937 1.00 61.45 C ATOM 533 CD1 TRP A 35 -17.522 -1.317 -4.862 1.00 23.42 C ATOM 534 CD2 TRP A 35 -17.395 -1.894 -2.698 1.00 55.45 C ATOM 535 NE1 TRP A 35 -18.758 -1.150 -4.282 1.00 24.33 N ATOM 536 CE2 TRP A 35 -18.746 -1.511 -2.954 1.00 2.34 C ATOM 537 CE3 TRP A 35 -17.086 -2.304 -1.384 1.00 70.13 C ATOM 538 CZ2 TRP A 35 -19.737 -1.535 -1.965 1.00 25.04 C ATOM 539 CZ3 TRP A 35 -18.065 -2.303 -0.376 1.00 23.31 C ATOM 540 CH2 TRP A 35 -19.389 -1.923 -0.663 1.00 1.13 C ATOM 0 H TRP A 35 -12.964 -3.016 -4.598 1.00 63.24 H new ATOM 0 HA TRP A 35 -15.156 -4.084 -3.407 1.00 74.13 H new ATOM 0 HB2 TRP A 35 -14.583 -1.704 -3.418 1.00 61.13 H new ATOM 0 HB3 TRP A 35 -14.898 -1.599 -5.139 1.00 61.13 H new ATOM 0 HD1 TRP A 35 -17.293 -1.130 -5.901 1.00 23.42 H new ATOM 0 HE1 TRP A 35 -19.581 -0.802 -4.775 1.00 24.33 H new ATOM 0 HE3 TRP A 35 -16.081 -2.624 -1.149 1.00 70.13 H new ATOM 0 HZ2 TRP A 35 -20.754 -1.259 -2.201 1.00 25.04 H new ATOM 0 HZ3 TRP A 35 -17.799 -2.597 0.629 1.00 23.31 H new ATOM 0 HH2 TRP A 35 -20.135 -1.930 0.117 1.00 1.13 H new ATOM 551 N ASP A 36 -16.879 -4.934 -4.932 1.00 12.12 N ATOM 552 CA ASP A 36 -17.817 -5.668 -5.759 1.00 30.00 C ATOM 553 C ASP A 36 -19.193 -5.086 -5.535 1.00 14.21 C ATOM 554 O ASP A 36 -19.941 -5.497 -4.652 1.00 2.32 O ATOM 555 CB ASP A 36 -17.729 -7.175 -5.481 1.00 41.00 C ATOM 556 CG ASP A 36 -17.761 -8.021 -6.760 1.00 42.44 C ATOM 557 OD1 ASP A 36 -17.331 -7.524 -7.826 1.00 30.03 O ATOM 558 OD2 ASP A 36 -18.119 -9.219 -6.722 1.00 11.24 O ATOM 0 H ASP A 36 -17.043 -5.060 -3.933 1.00 12.12 H new ATOM 0 HA ASP A 36 -17.574 -5.562 -6.816 1.00 30.00 H new ATOM 0 HB2 ASP A 36 -16.809 -7.385 -4.935 1.00 41.00 H new ATOM 0 HB3 ASP A 36 -18.557 -7.469 -4.836 1.00 41.00 H new ATOM 563 N GLU A 37 -19.498 -4.063 -6.322 1.00 54.11 N ATOM 564 CA GLU A 37 -20.651 -3.198 -6.156 1.00 40.34 C ATOM 565 C GLU A 37 -21.962 -3.977 -6.156 1.00 20.33 C ATOM 566 O GLU A 37 -22.855 -3.667 -5.372 1.00 52.02 O ATOM 567 CB GLU A 37 -20.579 -2.164 -7.279 1.00 43.44 C ATOM 568 CG GLU A 37 -21.775 -1.218 -7.353 1.00 14.50 C ATOM 569 CD GLU A 37 -21.499 -0.158 -8.411 1.00 55.35 C ATOM 570 OE1 GLU A 37 -21.427 -0.492 -9.615 1.00 11.04 O ATOM 571 OE2 GLU A 37 -21.213 0.999 -8.022 1.00 63.45 O ATOM 0 H GLU A 37 -18.924 -3.805 -7.125 1.00 54.11 H new ATOM 0 HA GLU A 37 -20.631 -2.705 -5.184 1.00 40.34 H new ATOM 0 HB2 GLU A 37 -19.672 -1.572 -7.152 1.00 43.44 H new ATOM 0 HB3 GLU A 37 -20.487 -2.687 -8.231 1.00 43.44 H new ATOM 0 HG2 GLU A 37 -22.680 -1.773 -7.602 1.00 14.50 H new ATOM 0 HG3 GLU A 37 -21.945 -0.749 -6.384 1.00 14.50 H new ATOM 578 N ALA A 38 -22.060 -5.008 -6.991 1.00 10.02 N ATOM 579 CA ALA A 38 -23.266 -5.816 -7.112 1.00 52.12 C ATOM 580 C ALA A 38 -23.430 -6.764 -5.923 1.00 44.52 C ATOM 581 O ALA A 38 -24.543 -7.180 -5.607 1.00 24.44 O ATOM 582 CB ALA A 38 -23.195 -6.600 -8.421 1.00 2.14 C ATOM 0 H ALA A 38 -21.301 -5.306 -7.604 1.00 10.02 H new ATOM 0 HA ALA A 38 -24.136 -5.160 -7.116 1.00 52.12 H new ATOM 0 HB1 ALA A 38 -24.091 -7.211 -8.528 1.00 2.14 H new ATOM 0 HB2 ALA A 38 -23.128 -5.905 -9.258 1.00 2.14 H new ATOM 0 HB3 ALA A 38 -22.316 -7.244 -8.412 1.00 2.14 H new ATOM 588 N GLN A 39 -22.327 -7.118 -5.263 1.00 52.31 N ATOM 589 CA GLN A 39 -22.354 -7.876 -4.025 1.00 3.14 C ATOM 590 C GLN A 39 -22.442 -6.929 -2.817 1.00 13.35 C ATOM 591 O GLN A 39 -22.776 -7.368 -1.717 1.00 64.24 O ATOM 592 CB GLN A 39 -21.171 -8.797 -3.940 1.00 11.44 C ATOM 593 CG GLN A 39 -21.217 -10.017 -4.840 1.00 63.34 C ATOM 594 CD GLN A 39 -22.469 -10.228 -5.640 1.00 51.31 C ATOM 595 OE1 GLN A 39 -23.444 -10.786 -5.145 1.00 24.42 O ATOM 596 NE2 GLN A 39 -22.482 -9.717 -6.843 1.00 11.42 N ATOM 0 H GLN A 39 -21.386 -6.882 -5.580 1.00 52.31 H new ATOM 0 HA GLN A 39 -23.247 -8.501 -4.013 1.00 3.14 H new ATOM 0 HB2 GLN A 39 -20.273 -8.227 -4.178 1.00 11.44 H new ATOM 0 HB3 GLN A 39 -21.070 -9.134 -2.908 1.00 11.44 H new ATOM 0 HG2 GLN A 39 -20.378 -9.958 -5.533 1.00 63.34 H new ATOM 0 HG3 GLN A 39 -21.058 -10.900 -4.221 1.00 63.34 H new ATOM 0 HE21 GLN A 39 -21.647 -9.262 -7.213 1.00 11.42 H new ATOM 0 HE22 GLN A 39 -23.327 -9.773 -7.412 1.00 11.42 H new ATOM 605 N SER A 40 -22.173 -5.632 -3.006 1.00 73.21 N ATOM 606 CA SER A 40 -22.033 -4.572 -2.024 1.00 1.51 C ATOM 607 C SER A 40 -20.971 -4.869 -0.962 1.00 73.24 C ATOM 608 O SER A 40 -21.105 -4.475 0.205 1.00 71.13 O ATOM 609 CB SER A 40 -23.403 -4.157 -1.498 1.00 14.00 C ATOM 610 OG SER A 40 -24.072 -5.186 -0.787 1.00 52.53 O ATOM 0 H SER A 40 -22.036 -5.271 -3.950 1.00 73.21 H new ATOM 0 HA SER A 40 -21.625 -3.688 -2.515 1.00 1.51 H new ATOM 0 HB2 SER A 40 -23.286 -3.292 -0.845 1.00 14.00 H new ATOM 0 HB3 SER A 40 -24.025 -3.842 -2.336 1.00 14.00 H new ATOM 0 HG SER A 40 -23.604 -6.036 -0.924 1.00 52.53 H new ATOM 616 N CYS A 41 -19.914 -5.588 -1.347 1.00 75.23 N ATOM 617 CA CYS A 41 -18.853 -5.915 -0.412 1.00 40.12 C ATOM 618 C CYS A 41 -17.501 -5.915 -1.098 1.00 34.31 C ATOM 619 O CYS A 41 -17.381 -5.957 -2.322 1.00 71.24 O ATOM 620 CB CYS A 41 -19.128 -7.254 0.298 1.00 52.00 C ATOM 621 SG CYS A 41 -19.554 -8.571 -0.866 1.00 61.33 S ATOM 0 H CYS A 41 -19.777 -5.948 -2.291 1.00 75.23 H new ATOM 0 HA CYS A 41 -18.832 -5.139 0.354 1.00 40.12 H new ATOM 0 HB2 CYS A 41 -18.247 -7.548 0.869 1.00 52.00 H new ATOM 0 HB3 CYS A 41 -19.942 -7.124 1.011 1.00 52.00 H new ATOM 0 HG CYS A 41 -19.773 -9.674 -0.213 1.00 61.33 H new ATOM 627 N TRP A 42 -16.477 -5.916 -0.259 1.00 53.13 N ATOM 628 CA TRP A 42 -15.127 -6.290 -0.601 1.00 11.52 C ATOM 629 C TRP A 42 -15.166 -7.759 -1.017 1.00 21.41 C ATOM 630 O TRP A 42 -15.504 -8.613 -0.193 1.00 2.32 O ATOM 631 CB TRP A 42 -14.275 -6.035 0.655 1.00 54.02 C ATOM 632 CG TRP A 42 -14.372 -4.609 1.120 1.00 21.03 C ATOM 633 CD1 TRP A 42 -15.003 -4.143 2.230 1.00 33.25 C ATOM 634 CD2 TRP A 42 -13.954 -3.425 0.380 1.00 54.32 C ATOM 635 NE1 TRP A 42 -15.026 -2.762 2.197 1.00 72.53 N ATOM 636 CE2 TRP A 42 -14.381 -2.265 1.086 1.00 72.24 C ATOM 637 CE3 TRP A 42 -13.296 -3.217 -0.851 1.00 2.11 C ATOM 638 CZ2 TRP A 42 -14.156 -0.970 0.598 1.00 42.01 C ATOM 639 CZ3 TRP A 42 -13.024 -1.921 -1.328 1.00 71.13 C ATOM 640 CH2 TRP A 42 -13.475 -0.797 -0.619 1.00 14.43 C ATOM 0 H TRP A 42 -16.576 -5.643 0.719 1.00 53.13 H new ATOM 0 HA TRP A 42 -14.696 -5.723 -1.426 1.00 11.52 H new ATOM 0 HB2 TRP A 42 -14.600 -6.700 1.455 1.00 54.02 H new ATOM 0 HB3 TRP A 42 -13.234 -6.277 0.442 1.00 54.02 H new ATOM 0 HD1 TRP A 42 -15.421 -4.756 3.015 1.00 33.25 H new ATOM 0 HE1 TRP A 42 -15.467 -2.181 2.909 1.00 72.53 H new ATOM 0 HE3 TRP A 42 -12.995 -4.071 -1.440 1.00 2.11 H new ATOM 0 HZ2 TRP A 42 -14.504 -0.112 1.153 1.00 42.01 H new ATOM 0 HZ3 TRP A 42 -12.466 -1.791 -2.243 1.00 71.13 H new ATOM 0 HH2 TRP A 42 -13.300 0.196 -1.007 1.00 14.43 H new ATOM 651 N LYS A 43 -14.874 -8.079 -2.281 1.00 74.43 N ATOM 652 CA LYS A 43 -14.494 -9.424 -2.665 1.00 43.25 C ATOM 653 C LYS A 43 -13.330 -9.896 -1.815 1.00 21.52 C ATOM 654 O LYS A 43 -12.573 -9.112 -1.245 1.00 24.45 O ATOM 655 CB LYS A 43 -14.066 -9.424 -4.141 1.00 4.12 C ATOM 656 CG LYS A 43 -15.205 -9.961 -4.981 1.00 22.32 C ATOM 657 CD LYS A 43 -14.852 -10.034 -6.464 1.00 3.24 C ATOM 658 CE LYS A 43 -14.550 -8.646 -7.024 1.00 45.23 C ATOM 659 NZ LYS A 43 -14.770 -8.605 -8.479 1.00 20.21 N ATOM 0 H LYS A 43 -14.896 -7.414 -3.054 1.00 74.43 H new ATOM 0 HA LYS A 43 -15.343 -10.092 -2.519 1.00 43.25 H new ATOM 0 HB2 LYS A 43 -13.807 -8.414 -4.458 1.00 4.12 H new ATOM 0 HB3 LYS A 43 -13.176 -10.039 -4.276 1.00 4.12 H new ATOM 0 HG2 LYS A 43 -15.477 -10.955 -4.626 1.00 22.32 H new ATOM 0 HG3 LYS A 43 -16.080 -9.325 -4.850 1.00 22.32 H new ATOM 0 HD2 LYS A 43 -13.987 -10.683 -6.604 1.00 3.24 H new ATOM 0 HD3 LYS A 43 -15.678 -10.481 -7.017 1.00 3.24 H new ATOM 0 HE2 LYS A 43 -15.185 -7.907 -6.536 1.00 45.23 H new ATOM 0 HE3 LYS A 43 -13.518 -8.377 -6.801 1.00 45.23 H new ATOM 0 HZ1 LYS A 43 -14.050 -8.000 -8.922 1.00 20.21 H new ATOM 0 HZ2 LYS A 43 -14.701 -9.567 -8.868 1.00 20.21 H new ATOM 0 HZ3 LYS A 43 -15.715 -8.219 -8.676 1.00 20.21 H new ATOM 673 N THR A 44 -13.097 -11.197 -1.873 1.00 53.23 N ATOM 674 CA THR A 44 -11.833 -11.769 -1.467 1.00 55.21 C ATOM 675 C THR A 44 -11.317 -12.767 -2.516 1.00 42.53 C ATOM 676 O THR A 44 -10.262 -13.356 -2.328 1.00 32.12 O ATOM 677 CB THR A 44 -11.967 -12.310 -0.031 1.00 64.21 C ATOM 678 OG1 THR A 44 -13.141 -13.068 0.166 1.00 12.43 O ATOM 679 CG2 THR A 44 -12.019 -11.172 0.993 1.00 64.25 C ATOM 0 H THR A 44 -13.779 -11.880 -2.202 1.00 53.23 H new ATOM 0 HA THR A 44 -11.050 -11.012 -1.428 1.00 55.21 H new ATOM 0 HB THR A 44 -11.088 -12.939 0.109 1.00 64.21 H new ATOM 0 HG1 THR A 44 -13.173 -13.387 1.092 1.00 12.43 H new ATOM 0 HG21 THR A 44 -12.114 -11.589 1.996 1.00 64.25 H new ATOM 0 HG22 THR A 44 -11.104 -10.583 0.930 1.00 64.25 H new ATOM 0 HG23 THR A 44 -12.877 -10.533 0.783 1.00 64.25 H new ATOM 687 N ASP A 45 -11.982 -12.921 -3.666 1.00 13.01 N ATOM 688 CA ASP A 45 -11.669 -13.956 -4.645 1.00 74.53 C ATOM 689 C ASP A 45 -10.277 -13.709 -5.203 1.00 44.41 C ATOM 690 O ASP A 45 -9.508 -14.648 -5.378 1.00 51.42 O ATOM 691 CB ASP A 45 -12.669 -13.890 -5.805 1.00 35.11 C ATOM 692 CG ASP A 45 -13.924 -14.743 -5.630 1.00 73.34 C ATOM 693 OD1 ASP A 45 -14.935 -14.222 -5.100 1.00 74.13 O ATOM 694 OD2 ASP A 45 -13.953 -15.900 -6.100 1.00 72.51 O ATOM 0 H ASP A 45 -12.760 -12.322 -3.942 1.00 13.01 H new ATOM 0 HA ASP A 45 -11.721 -14.932 -4.162 1.00 74.53 H new ATOM 0 HB2 ASP A 45 -12.971 -12.852 -5.945 1.00 35.11 H new ATOM 0 HB3 ASP A 45 -12.162 -14.201 -6.719 1.00 35.11 H new ATOM 699 N LEU A 46 -9.949 -12.443 -5.497 1.00 42.40 N ATOM 700 CA LEU A 46 -8.739 -12.124 -6.235 1.00 31.41 C ATOM 701 C LEU A 46 -7.526 -11.948 -5.314 1.00 4.01 C ATOM 702 O LEU A 46 -6.431 -11.649 -5.805 1.00 34.31 O ATOM 703 CB LEU A 46 -8.899 -10.900 -7.154 1.00 43.11 C ATOM 704 CG LEU A 46 -9.995 -10.989 -8.225 1.00 70.15 C ATOM 705 CD1 LEU A 46 -11.395 -10.775 -7.635 1.00 43.41 C ATOM 706 CD2 LEU A 46 -9.764 -9.929 -9.309 1.00 4.10 C ATOM 0 H LEU A 46 -10.508 -11.632 -5.232 1.00 42.40 H new ATOM 0 HA LEU A 46 -8.557 -12.988 -6.875 1.00 31.41 H new ATOM 0 HB2 LEU A 46 -9.100 -10.029 -6.531 1.00 43.11 H new ATOM 0 HB3 LEU A 46 -7.947 -10.721 -7.654 1.00 43.11 H new ATOM 0 HG LEU A 46 -9.941 -11.992 -8.649 1.00 70.15 H new ATOM 0 HD11 LEU A 46 -12.139 -10.846 -8.428 1.00 43.41 H new ATOM 0 HD12 LEU A 46 -11.593 -11.538 -6.882 1.00 43.41 H new ATOM 0 HD13 LEU A 46 -11.449 -9.788 -7.175 1.00 43.41 H new ATOM 0 HD21 LEU A 46 -10.548 -10.003 -10.063 1.00 4.10 H new ATOM 0 HD22 LEU A 46 -9.786 -8.937 -8.858 1.00 4.10 H new ATOM 0 HD23 LEU A 46 -8.794 -10.093 -9.778 1.00 4.10 H new ATOM 718 N VAL A 47 -7.710 -12.093 -4.002 1.00 52.23 N ATOM 719 CA VAL A 47 -6.715 -11.859 -2.960 1.00 14.04 C ATOM 720 C VAL A 47 -6.127 -13.166 -2.424 1.00 61.35 C ATOM 721 O VAL A 47 -6.788 -14.205 -2.407 1.00 14.31 O ATOM 722 CB VAL A 47 -7.224 -10.779 -1.966 1.00 1.51 C ATOM 723 CG1 VAL A 47 -8.665 -10.814 -1.511 1.00 31.15 C ATOM 724 CG2 VAL A 47 -6.372 -10.655 -0.699 1.00 24.42 C ATOM 0 H VAL A 47 -8.606 -12.393 -3.619 1.00 52.23 H new ATOM 0 HA VAL A 47 -5.812 -11.398 -3.359 1.00 14.04 H new ATOM 0 HB VAL A 47 -7.130 -9.917 -2.626 1.00 1.51 H new ATOM 0 HG11 VAL A 47 -8.849 -9.990 -0.821 1.00 31.15 H new ATOM 0 HG12 VAL A 47 -9.322 -10.717 -2.375 1.00 31.15 H new ATOM 0 HG13 VAL A 47 -8.865 -11.760 -1.008 1.00 31.15 H new ATOM 0 HG21 VAL A 47 -6.789 -9.882 -0.054 1.00 24.42 H new ATOM 0 HG22 VAL A 47 -6.368 -11.607 -0.168 1.00 24.42 H new ATOM 0 HG23 VAL A 47 -5.351 -10.388 -0.972 1.00 24.42 H new ATOM 734 N ALA A 48 -4.845 -13.132 -2.040 1.00 70.12 N ATOM 735 CA ALA A 48 -4.150 -14.308 -1.528 1.00 10.34 C ATOM 736 C ALA A 48 -4.801 -14.717 -0.201 1.00 15.41 C ATOM 737 O ALA A 48 -5.198 -13.838 0.577 1.00 51.43 O ATOM 738 CB ALA A 48 -2.660 -13.998 -1.331 1.00 51.44 C ATOM 0 H ALA A 48 -4.268 -12.292 -2.077 1.00 70.12 H new ATOM 0 HA ALA A 48 -4.228 -15.130 -2.240 1.00 10.34 H new ATOM 0 HB1 ALA A 48 -2.152 -14.883 -0.949 1.00 51.44 H new ATOM 0 HB2 ALA A 48 -2.219 -13.710 -2.285 1.00 51.44 H new ATOM 0 HB3 ALA A 48 -2.550 -13.180 -0.619 1.00 51.44 H new ATOM 744 N PRO A 49 -4.891 -16.021 0.111 1.00 14.51 N ATOM 745 CA PRO A 49 -5.684 -16.488 1.239 1.00 62.15 C ATOM 746 C PRO A 49 -5.146 -15.946 2.557 1.00 5.14 C ATOM 747 O PRO A 49 -5.938 -15.580 3.420 1.00 2.23 O ATOM 748 CB PRO A 49 -5.682 -18.014 1.161 1.00 2.42 C ATOM 749 CG PRO A 49 -4.405 -18.327 0.391 1.00 62.14 C ATOM 750 CD PRO A 49 -4.259 -17.142 -0.566 1.00 32.21 C ATOM 0 HA PRO A 49 -6.709 -16.121 1.194 1.00 62.15 H new ATOM 0 HB2 PRO A 49 -5.675 -18.467 2.152 1.00 2.42 H new ATOM 0 HB3 PRO A 49 -6.565 -18.391 0.645 1.00 2.42 H new ATOM 0 HG2 PRO A 49 -3.546 -18.412 1.057 1.00 62.14 H new ATOM 0 HG3 PRO A 49 -4.484 -19.271 -0.149 1.00 62.14 H new ATOM 0 HD2 PRO A 49 -3.210 -16.934 -0.776 1.00 32.21 H new ATOM 0 HD3 PRO A 49 -4.741 -17.347 -1.522 1.00 32.21 H new ATOM 758 N GLU A 50 -3.824 -15.775 2.680 1.00 61.11 N ATOM 759 CA GLU A 50 -3.223 -15.284 3.906 1.00 43.31 C ATOM 760 C GLU A 50 -3.646 -13.854 4.234 1.00 12.05 C ATOM 761 O GLU A 50 -3.463 -13.430 5.374 1.00 10.34 O ATOM 762 CB GLU A 50 -1.692 -15.372 3.819 1.00 20.34 C ATOM 763 CG GLU A 50 -1.027 -14.248 3.005 1.00 64.53 C ATOM 764 CD GLU A 50 0.495 -14.341 3.127 1.00 44.25 C ATOM 765 OE1 GLU A 50 1.150 -15.185 2.469 1.00 72.23 O ATOM 766 OE2 GLU A 50 1.044 -13.624 3.991 1.00 41.11 O ATOM 0 H GLU A 50 -3.155 -15.973 1.936 1.00 61.11 H new ATOM 0 HA GLU A 50 -3.583 -15.921 4.714 1.00 43.31 H new ATOM 0 HB2 GLU A 50 -1.283 -15.361 4.829 1.00 20.34 H new ATOM 0 HB3 GLU A 50 -1.422 -16.331 3.377 1.00 20.34 H new ATOM 0 HG2 GLU A 50 -1.321 -14.324 1.958 1.00 64.53 H new ATOM 0 HG3 GLU A 50 -1.370 -13.277 3.363 1.00 64.53 H new ATOM 773 N TRP A 51 -4.133 -13.092 3.249 1.00 12.01 N ATOM 774 CA TRP A 51 -4.659 -11.761 3.466 1.00 20.32 C ATOM 775 C TRP A 51 -6.115 -11.871 3.883 1.00 61.40 C ATOM 776 O TRP A 51 -6.432 -11.436 4.987 1.00 23.51 O ATOM 777 CB TRP A 51 -4.394 -10.848 2.263 1.00 50.04 C ATOM 778 CG TRP A 51 -3.072 -10.142 2.351 1.00 0.33 C ATOM 779 CD1 TRP A 51 -1.895 -10.591 1.860 1.00 41.55 C ATOM 780 CD2 TRP A 51 -2.765 -8.880 3.025 1.00 14.30 C ATOM 781 NE1 TRP A 51 -0.890 -9.693 2.173 1.00 54.20 N ATOM 782 CE2 TRP A 51 -1.367 -8.625 2.906 1.00 63.42 C ATOM 783 CE3 TRP A 51 -3.532 -7.926 3.730 1.00 42.23 C ATOM 784 CZ2 TRP A 51 -0.759 -7.490 3.470 1.00 64.52 C ATOM 785 CZ3 TRP A 51 -2.944 -6.755 4.248 1.00 63.52 C ATOM 786 CH2 TRP A 51 -1.559 -6.542 4.129 1.00 52.03 C ATOM 0 H TRP A 51 -4.169 -13.394 2.275 1.00 12.01 H new ATOM 0 HA TRP A 51 -4.134 -11.269 4.285 1.00 20.32 H new ATOM 0 HB2 TRP A 51 -4.424 -11.441 1.349 1.00 50.04 H new ATOM 0 HB3 TRP A 51 -5.192 -10.109 2.190 1.00 50.04 H new ATOM 0 HD1 TRP A 51 -1.760 -11.510 1.308 1.00 41.55 H new ATOM 0 HE1 TRP A 51 0.085 -9.806 1.896 1.00 54.20 H new ATOM 0 HE3 TRP A 51 -4.588 -8.097 3.875 1.00 42.23 H new ATOM 0 HZ2 TRP A 51 0.309 -7.349 3.398 1.00 64.52 H new ATOM 0 HZ3 TRP A 51 -3.560 -6.017 4.739 1.00 63.52 H new ATOM 0 HH2 TRP A 51 -1.111 -5.651 4.544 1.00 52.03 H new ATOM 797 N ARG A 52 -6.984 -12.468 3.053 1.00 41.42 N ATOM 798 CA ARG A 52 -8.414 -12.509 3.371 1.00 54.30 C ATOM 799 C ARG A 52 -8.740 -13.274 4.657 1.00 53.34 C ATOM 800 O ARG A 52 -9.815 -13.058 5.214 1.00 0.12 O ATOM 801 CB ARG A 52 -9.258 -13.002 2.195 1.00 43.41 C ATOM 802 CG ARG A 52 -8.962 -14.406 1.634 1.00 40.53 C ATOM 803 CD ARG A 52 -8.527 -14.283 0.165 1.00 42.11 C ATOM 804 NE ARG A 52 -8.571 -15.530 -0.618 1.00 23.00 N ATOM 805 CZ ARG A 52 -9.652 -16.141 -1.125 1.00 32.12 C ATOM 806 NH1 ARG A 52 -10.881 -15.856 -0.702 1.00 33.54 N ATOM 807 NH2 ARG A 52 -9.486 -17.057 -2.071 1.00 5.11 N ATOM 0 H ARG A 52 -6.727 -12.919 2.175 1.00 41.42 H new ATOM 0 HA ARG A 52 -8.690 -11.472 3.562 1.00 54.30 H new ATOM 0 HB2 ARG A 52 -10.304 -12.978 2.501 1.00 43.41 H new ATOM 0 HB3 ARG A 52 -9.147 -12.286 1.380 1.00 43.41 H new ATOM 0 HG2 ARG A 52 -8.177 -14.886 2.219 1.00 40.53 H new ATOM 0 HG3 ARG A 52 -9.848 -15.036 1.712 1.00 40.53 H new ATOM 0 HD2 ARG A 52 -9.164 -13.546 -0.323 1.00 42.11 H new ATOM 0 HD3 ARG A 52 -7.509 -13.893 0.137 1.00 42.11 H new ATOM 0 HE ARG A 52 -7.674 -15.982 -0.795 1.00 23.00 H new ATOM 0 HH11 ARG A 52 -11.020 -15.156 0.027 1.00 33.54 H new ATOM 0 HH12 ARG A 52 -11.684 -16.337 -1.107 1.00 33.54 H new ATOM 0 HH21 ARG A 52 -8.548 -17.286 -2.400 1.00 5.11 H new ATOM 0 HH22 ARG A 52 -10.296 -17.532 -2.469 1.00 5.11 H new ATOM 821 N GLN A 53 -7.829 -14.125 5.128 1.00 43.04 N ATOM 822 CA GLN A 53 -8.048 -15.179 6.105 1.00 25.32 C ATOM 823 C GLN A 53 -8.876 -14.775 7.321 1.00 51.25 C ATOM 824 O GLN A 53 -9.765 -15.518 7.718 1.00 14.21 O ATOM 825 CB GLN A 53 -6.677 -15.739 6.538 1.00 75.20 C ATOM 826 CG GLN A 53 -6.618 -17.234 6.224 1.00 53.44 C ATOM 827 CD GLN A 53 -5.262 -17.861 6.522 1.00 24.24 C ATOM 828 OE1 GLN A 53 -4.217 -17.216 6.561 1.00 44.20 O ATOM 829 NE2 GLN A 53 -5.216 -19.163 6.710 1.00 50.44 N ATOM 0 H GLN A 53 -6.859 -14.090 4.815 1.00 43.04 H new ATOM 0 HA GLN A 53 -8.652 -15.941 5.612 1.00 25.32 H new ATOM 0 HB2 GLN A 53 -5.876 -15.215 6.016 1.00 75.20 H new ATOM 0 HB3 GLN A 53 -6.525 -15.574 7.605 1.00 75.20 H new ATOM 0 HG2 GLN A 53 -7.384 -17.750 6.803 1.00 53.44 H new ATOM 0 HG3 GLN A 53 -6.857 -17.387 5.172 1.00 53.44 H new ATOM 0 HE21 GLN A 53 -6.074 -19.713 6.681 1.00 50.44 H new ATOM 0 HE22 GLN A 53 -4.322 -19.622 6.885 1.00 50.44 H new ATOM 838 N ASP A 54 -8.581 -13.624 7.914 1.00 74.44 N ATOM 839 CA ASP A 54 -9.223 -13.131 9.130 1.00 4.12 C ATOM 840 C ASP A 54 -9.625 -11.666 8.924 1.00 62.31 C ATOM 841 O ASP A 54 -9.803 -10.923 9.886 1.00 21.35 O ATOM 842 CB ASP A 54 -8.277 -13.292 10.332 1.00 33.23 C ATOM 843 CG ASP A 54 -8.081 -14.733 10.814 1.00 20.51 C ATOM 844 OD1 ASP A 54 -9.089 -15.448 11.032 1.00 12.00 O ATOM 845 OD2 ASP A 54 -6.907 -15.121 11.017 1.00 1.44 O ATOM 0 H ASP A 54 -7.869 -12.989 7.553 1.00 74.44 H new ATOM 0 HA ASP A 54 -10.121 -13.713 9.340 1.00 4.12 H new ATOM 0 HB2 ASP A 54 -7.304 -12.878 10.067 1.00 33.23 H new ATOM 0 HB3 ASP A 54 -8.662 -12.697 11.160 1.00 33.23 H new ATOM 850 N TYR A 55 -9.706 -11.229 7.665 1.00 44.45 N ATOM 851 CA TYR A 55 -9.920 -9.858 7.217 1.00 32.03 C ATOM 852 C TYR A 55 -11.350 -9.686 6.681 1.00 71.32 C ATOM 853 O TYR A 55 -11.569 -9.824 5.474 1.00 33.41 O ATOM 854 CB TYR A 55 -8.867 -9.479 6.161 1.00 73.34 C ATOM 855 CG TYR A 55 -7.586 -8.881 6.712 1.00 60.31 C ATOM 856 CD1 TYR A 55 -6.903 -9.485 7.787 1.00 52.52 C ATOM 857 CD2 TYR A 55 -7.114 -7.661 6.191 1.00 60.00 C ATOM 858 CE1 TYR A 55 -5.817 -8.837 8.397 1.00 72.11 C ATOM 859 CE2 TYR A 55 -6.030 -7.012 6.791 1.00 44.54 C ATOM 860 CZ TYR A 55 -5.402 -7.574 7.921 1.00 40.51 C ATOM 861 OH TYR A 55 -4.457 -6.846 8.575 1.00 61.41 O ATOM 0 H TYR A 55 -9.617 -11.873 6.879 1.00 44.45 H new ATOM 0 HA TYR A 55 -9.804 -9.181 8.063 1.00 32.03 H new ATOM 0 HB2 TYR A 55 -8.615 -10.370 5.586 1.00 73.34 H new ATOM 0 HB3 TYR A 55 -9.312 -8.767 5.466 1.00 73.34 H new ATOM 0 HD1 TYR A 55 -7.218 -10.454 8.144 1.00 52.52 H new ATOM 0 HD2 TYR A 55 -7.590 -7.225 5.325 1.00 60.00 H new ATOM 0 HE1 TYR A 55 -5.302 -9.302 9.225 1.00 72.11 H new ATOM 0 HE2 TYR A 55 -5.673 -6.076 6.387 1.00 44.54 H new ATOM 0 HH TYR A 55 -3.837 -7.451 9.033 1.00 61.41 H new ATOM 871 N PRO A 56 -12.344 -9.406 7.538 1.00 50.32 N ATOM 872 CA PRO A 56 -13.692 -9.054 7.112 1.00 14.43 C ATOM 873 C PRO A 56 -13.792 -7.620 6.567 1.00 2.20 C ATOM 874 O PRO A 56 -14.840 -7.259 6.035 1.00 72.25 O ATOM 875 CB PRO A 56 -14.557 -9.225 8.364 1.00 64.22 C ATOM 876 CG PRO A 56 -13.596 -8.901 9.501 1.00 20.42 C ATOM 877 CD PRO A 56 -12.266 -9.447 8.987 1.00 21.13 C ATOM 0 HA PRO A 56 -14.015 -9.688 6.286 1.00 14.43 H new ATOM 0 HB2 PRO A 56 -15.413 -8.551 8.357 1.00 64.22 H new ATOM 0 HB3 PRO A 56 -14.950 -10.238 8.446 1.00 64.22 H new ATOM 0 HG2 PRO A 56 -13.545 -7.830 9.695 1.00 20.42 H new ATOM 0 HG3 PRO A 56 -13.896 -9.380 10.433 1.00 20.42 H new ATOM 0 HD2 PRO A 56 -11.432 -8.845 9.349 1.00 21.13 H new ATOM 0 HD3 PRO A 56 -12.101 -10.465 9.339 1.00 21.13 H new ATOM 885 N GLU A 57 -12.757 -6.784 6.687 1.00 34.42 N ATOM 886 CA GLU A 57 -12.795 -5.386 6.260 1.00 14.02 C ATOM 887 C GLU A 57 -11.426 -4.932 5.771 1.00 71.31 C ATOM 888 O GLU A 57 -10.419 -5.548 6.153 1.00 55.52 O ATOM 889 CB GLU A 57 -13.200 -4.490 7.432 1.00 50.55 C ATOM 890 CG GLU A 57 -14.714 -4.398 7.580 1.00 44.11 C ATOM 891 CD GLU A 57 -15.042 -3.315 8.610 1.00 42.42 C ATOM 892 OE1 GLU A 57 -14.661 -3.467 9.793 1.00 63.11 O ATOM 893 OE2 GLU A 57 -15.656 -2.293 8.223 1.00 20.02 O ATOM 0 H GLU A 57 -11.861 -7.063 7.087 1.00 34.42 H new ATOM 0 HA GLU A 57 -13.520 -5.307 5.450 1.00 14.02 H new ATOM 0 HB2 GLU A 57 -12.768 -4.880 8.354 1.00 50.55 H new ATOM 0 HB3 GLU A 57 -12.788 -3.492 7.285 1.00 50.55 H new ATOM 0 HG2 GLU A 57 -15.173 -4.159 6.621 1.00 44.11 H new ATOM 0 HG3 GLU A 57 -15.121 -5.358 7.898 1.00 44.11 H new ATOM 900 N PRO A 58 -11.363 -3.863 4.954 1.00 71.31 N ATOM 901 CA PRO A 58 -10.118 -3.378 4.396 1.00 52.03 C ATOM 902 C PRO A 58 -9.115 -2.964 5.475 1.00 25.23 C ATOM 903 O PRO A 58 -9.501 -2.601 6.592 1.00 64.33 O ATOM 904 CB PRO A 58 -10.463 -2.211 3.471 1.00 42.41 C ATOM 905 CG PRO A 58 -11.906 -1.847 3.789 1.00 2.32 C ATOM 906 CD PRO A 58 -12.480 -3.129 4.383 1.00 10.42 C ATOM 0 HA PRO A 58 -9.626 -4.177 3.841 1.00 52.03 H new ATOM 0 HB2 PRO A 58 -9.798 -1.365 3.644 1.00 42.41 H new ATOM 0 HB3 PRO A 58 -10.352 -2.495 2.424 1.00 42.41 H new ATOM 0 HG2 PRO A 58 -11.964 -1.018 4.494 1.00 2.32 H new ATOM 0 HG3 PRO A 58 -12.449 -1.542 2.894 1.00 2.32 H new ATOM 0 HD2 PRO A 58 -13.224 -2.902 5.146 1.00 10.42 H new ATOM 0 HD3 PRO A 58 -12.980 -3.721 3.616 1.00 10.42 H new ATOM 914 N PRO A 59 -7.817 -2.986 5.140 1.00 54.55 N ATOM 915 CA PRO A 59 -6.776 -2.447 5.988 1.00 61.35 C ATOM 916 C PRO A 59 -6.868 -0.918 6.021 1.00 23.40 C ATOM 917 O PRO A 59 -6.609 -0.249 5.019 1.00 44.55 O ATOM 918 CB PRO A 59 -5.479 -2.965 5.387 1.00 11.13 C ATOM 919 CG PRO A 59 -5.784 -3.195 3.915 1.00 73.13 C ATOM 920 CD PRO A 59 -7.258 -3.571 3.927 1.00 74.22 C ATOM 0 HA PRO A 59 -6.856 -2.756 7.030 1.00 61.35 H new ATOM 0 HB2 PRO A 59 -4.671 -2.244 5.514 1.00 11.13 H new ATOM 0 HB3 PRO A 59 -5.162 -3.888 5.872 1.00 11.13 H new ATOM 0 HG2 PRO A 59 -5.600 -2.300 3.320 1.00 73.13 H new ATOM 0 HG3 PRO A 59 -5.168 -3.990 3.494 1.00 73.13 H new ATOM 0 HD2 PRO A 59 -7.765 -3.188 3.041 1.00 74.22 H new ATOM 0 HD3 PRO A 59 -7.384 -4.654 3.923 1.00 74.22 H new ATOM 928 N ASP A 60 -7.254 -0.359 7.168 1.00 23.50 N ATOM 929 CA ASP A 60 -7.349 1.088 7.366 1.00 64.04 C ATOM 930 C ASP A 60 -5.965 1.621 7.726 1.00 64.14 C ATOM 931 O ASP A 60 -5.547 1.551 8.887 1.00 12.22 O ATOM 932 CB ASP A 60 -8.384 1.433 8.446 1.00 11.34 C ATOM 933 CG ASP A 60 -8.775 2.906 8.451 1.00 21.52 C ATOM 934 OD1 ASP A 60 -7.958 3.797 8.110 1.00 23.41 O ATOM 935 OD2 ASP A 60 -9.934 3.165 8.845 1.00 50.34 O ATOM 0 H ASP A 60 -7.512 -0.902 7.992 1.00 23.50 H new ATOM 0 HA ASP A 60 -7.690 1.563 6.446 1.00 64.04 H new ATOM 0 HB2 ASP A 60 -9.277 0.827 8.292 1.00 11.34 H new ATOM 0 HB3 ASP A 60 -7.983 1.167 9.424 1.00 11.34 H new ATOM 940 N PHE A 61 -5.191 2.052 6.728 1.00 60.35 N ATOM 941 CA PHE A 61 -3.835 2.545 6.963 1.00 32.44 C ATOM 942 C PHE A 61 -3.815 4.028 7.339 1.00 12.14 C ATOM 943 O PHE A 61 -2.839 4.482 7.931 1.00 5.34 O ATOM 944 CB PHE A 61 -2.980 2.355 5.714 1.00 13.25 C ATOM 945 CG PHE A 61 -2.878 0.949 5.159 1.00 12.44 C ATOM 946 CD1 PHE A 61 -1.986 0.010 5.716 1.00 70.32 C ATOM 947 CD2 PHE A 61 -3.627 0.611 4.020 1.00 74.31 C ATOM 948 CE1 PHE A 61 -1.852 -1.264 5.129 1.00 14.42 C ATOM 949 CE2 PHE A 61 -3.482 -0.650 3.430 1.00 53.43 C ATOM 950 CZ PHE A 61 -2.601 -1.592 3.984 1.00 53.11 C ATOM 0 H PHE A 61 -5.481 2.069 5.750 1.00 60.35 H new ATOM 0 HA PHE A 61 -3.433 1.969 7.796 1.00 32.44 H new ATOM 0 HB2 PHE A 61 -3.376 3.001 4.930 1.00 13.25 H new ATOM 0 HB3 PHE A 61 -1.972 2.706 5.937 1.00 13.25 H new ATOM 0 HD1 PHE A 61 -1.407 0.267 6.591 1.00 70.32 H new ATOM 0 HD2 PHE A 61 -4.317 1.326 3.598 1.00 74.31 H new ATOM 0 HE1 PHE A 61 -1.175 -1.988 5.558 1.00 14.42 H new ATOM 0 HE2 PHE A 61 -4.050 -0.899 2.546 1.00 53.43 H new ATOM 0 HZ PHE A 61 -2.498 -2.567 3.532 1.00 53.11 H new ATOM 960 N ILE A 62 -4.846 4.808 6.994 1.00 51.34 N ATOM 961 CA ILE A 62 -4.890 6.226 7.353 1.00 53.24 C ATOM 962 C ILE A 62 -5.031 6.336 8.872 1.00 11.12 C ATOM 963 O ILE A 62 -4.379 7.186 9.491 1.00 30.21 O ATOM 964 CB ILE A 62 -6.031 6.965 6.607 1.00 10.55 C ATOM 965 CG1 ILE A 62 -5.924 6.883 5.068 1.00 5.35 C ATOM 966 CG2 ILE A 62 -6.141 8.445 7.020 1.00 0.42 C ATOM 967 CD1 ILE A 62 -4.694 7.547 4.434 1.00 63.32 C ATOM 0 H ILE A 62 -5.657 4.481 6.469 1.00 51.34 H new ATOM 0 HA ILE A 62 -3.965 6.713 7.044 1.00 53.24 H new ATOM 0 HB ILE A 62 -6.934 6.435 6.911 1.00 10.55 H new ATOM 0 HG12 ILE A 62 -5.931 5.832 4.780 1.00 5.35 H new ATOM 0 HG13 ILE A 62 -6.817 7.337 4.639 1.00 5.35 H new ATOM 0 HG21 ILE A 62 -6.955 8.917 6.469 1.00 0.42 H new ATOM 0 HG22 ILE A 62 -6.341 8.510 8.089 1.00 0.42 H new ATOM 0 HG23 ILE A 62 -5.205 8.956 6.794 1.00 0.42 H new ATOM 0 HD11 ILE A 62 -4.731 7.423 3.352 1.00 63.32 H new ATOM 0 HD12 ILE A 62 -4.688 8.609 4.678 1.00 63.32 H new ATOM 0 HD13 ILE A 62 -3.788 7.081 4.822 1.00 63.32 H new ATOM 979 N ALA A 63 -5.880 5.502 9.482 1.00 40.11 N ATOM 980 CA ALA A 63 -6.330 5.695 10.852 1.00 20.20 C ATOM 981 C ALA A 63 -5.783 4.657 11.826 1.00 62.24 C ATOM 982 O ALA A 63 -5.442 5.022 12.956 1.00 61.03 O ATOM 983 CB ALA A 63 -7.852 5.683 10.853 1.00 15.43 C ATOM 0 H ALA A 63 -6.272 4.674 9.033 1.00 40.11 H new ATOM 0 HA ALA A 63 -5.943 6.651 11.204 1.00 20.20 H new ATOM 0 HB1 ALA A 63 -8.216 5.826 11.870 1.00 15.43 H new ATOM 0 HB2 ALA A 63 -8.223 6.488 10.218 1.00 15.43 H new ATOM 0 HB3 ALA A 63 -8.209 4.726 10.471 1.00 15.43 H new ATOM 989 N SER A 64 -5.689 3.393 11.416 1.00 55.52 N ATOM 990 CA SER A 64 -5.275 2.279 12.260 1.00 23.21 C ATOM 991 C SER A 64 -3.837 1.883 11.917 1.00 13.31 C ATOM 992 O SER A 64 -3.193 2.563 11.108 1.00 13.14 O ATOM 993 CB SER A 64 -6.312 1.166 12.094 1.00 34.34 C ATOM 994 OG SER A 64 -6.376 0.382 13.264 1.00 53.21 O ATOM 0 H SER A 64 -5.905 3.110 10.460 1.00 55.52 H new ATOM 0 HA SER A 64 -5.249 2.537 13.319 1.00 23.21 H new ATOM 0 HB2 SER A 64 -7.290 1.599 11.883 1.00 34.34 H new ATOM 0 HB3 SER A 64 -6.050 0.539 11.241 1.00 34.34 H new ATOM 0 HG SER A 64 -7.044 -0.326 13.147 1.00 53.21 H new ATOM 1000 N ARG A 65 -3.275 0.859 12.571 1.00 23.54 N ATOM 1001 CA ARG A 65 -2.078 0.220 12.024 1.00 33.20 C ATOM 1002 C ARG A 65 -1.993 -1.295 12.299 1.00 10.13 C ATOM 1003 O ARG A 65 -0.908 -1.781 12.628 1.00 44.43 O ATOM 1004 CB ARG A 65 -0.830 1.012 12.516 1.00 15.21 C ATOM 1005 CG ARG A 65 -0.666 1.251 14.036 1.00 1.41 C ATOM 1006 CD ARG A 65 -0.246 -0.010 14.804 1.00 21.34 C ATOM 1007 NE ARG A 65 0.034 0.215 16.228 1.00 2.54 N ATOM 1008 CZ ARG A 65 1.173 0.678 16.754 1.00 51.05 C ATOM 1009 NH1 ARG A 65 2.094 1.289 16.015 1.00 20.14 N ATOM 1010 NH2 ARG A 65 1.413 0.521 18.045 1.00 13.03 N ATOM 0 H ARG A 65 -3.617 0.468 13.449 1.00 23.54 H new ATOM 0 HA ARG A 65 -2.126 0.267 10.936 1.00 33.20 H new ATOM 0 HB2 ARG A 65 0.058 0.486 12.164 1.00 15.21 H new ATOM 0 HB3 ARG A 65 -0.839 1.985 12.025 1.00 15.21 H new ATOM 0 HG2 ARG A 65 0.078 2.031 14.196 1.00 1.41 H new ATOM 0 HG3 ARG A 65 -1.607 1.620 14.443 1.00 1.41 H new ATOM 0 HD2 ARG A 65 -1.036 -0.756 14.714 1.00 21.34 H new ATOM 0 HD3 ARG A 65 0.643 -0.429 14.333 1.00 21.34 H new ATOM 0 HE ARG A 65 -0.717 -0.004 16.883 1.00 2.54 H new ATOM 0 HH11 ARG A 65 1.943 1.417 15.014 1.00 20.14 H new ATOM 0 HH12 ARG A 65 2.952 1.630 16.449 1.00 20.14 H new ATOM 0 HH21 ARG A 65 0.730 0.048 18.637 1.00 13.03 H new ATOM 0 HH22 ARG A 65 2.281 0.873 18.449 1.00 13.03 H new ATOM 1024 N PRO A 66 -3.021 -2.110 12.002 1.00 50.55 N ATOM 1025 CA PRO A 66 -2.890 -3.556 12.077 1.00 61.15 C ATOM 1026 C PRO A 66 -2.119 -4.065 10.860 1.00 1.42 C ATOM 1027 O PRO A 66 -1.085 -4.729 10.998 1.00 32.40 O ATOM 1028 CB PRO A 66 -4.320 -4.110 12.151 1.00 71.33 C ATOM 1029 CG PRO A 66 -5.173 -3.016 11.513 1.00 13.41 C ATOM 1030 CD PRO A 66 -4.419 -1.744 11.862 1.00 73.32 C ATOM 0 HA PRO A 66 -2.326 -3.884 12.950 1.00 61.15 H new ATOM 0 HB2 PRO A 66 -4.411 -5.053 11.612 1.00 71.33 H new ATOM 0 HB3 PRO A 66 -4.621 -4.301 13.181 1.00 71.33 H new ATOM 0 HG2 PRO A 66 -5.260 -3.150 10.435 1.00 13.41 H new ATOM 0 HG3 PRO A 66 -6.186 -3.008 11.916 1.00 13.41 H new ATOM 0 HD2 PRO A 66 -4.546 -0.993 11.082 1.00 73.32 H new ATOM 0 HD3 PRO A 66 -4.800 -1.310 12.787 1.00 73.32 H new ATOM 1038 N ALA A 67 -2.598 -3.732 9.659 1.00 42.42 N ATOM 1039 CA ALA A 67 -2.072 -4.292 8.425 1.00 5.32 C ATOM 1040 C ALA A 67 -0.655 -3.830 8.129 1.00 42.24 C ATOM 1041 O ALA A 67 0.024 -4.478 7.346 1.00 32.44 O ATOM 1042 CB ALA A 67 -2.974 -3.918 7.263 1.00 1.34 C ATOM 0 H ALA A 67 -3.360 -3.068 9.521 1.00 42.42 H new ATOM 0 HA ALA A 67 -2.045 -5.374 8.554 1.00 5.32 H new ATOM 0 HB1 ALA A 67 -2.574 -4.341 6.341 1.00 1.34 H new ATOM 0 HB2 ALA A 67 -3.975 -4.312 7.438 1.00 1.34 H new ATOM 0 HB3 ALA A 67 -3.021 -2.833 7.174 1.00 1.34 H new ATOM 1048 N THR A 68 -0.175 -2.759 8.750 1.00 55.02 N ATOM 1049 CA THR A 68 1.188 -2.267 8.632 1.00 3.24 C ATOM 1050 C THR A 68 2.210 -3.391 8.903 1.00 1.20 C ATOM 1051 O THR A 68 3.229 -3.507 8.215 1.00 32.32 O ATOM 1052 CB THR A 68 1.311 -1.087 9.613 1.00 11.34 C ATOM 1053 OG1 THR A 68 0.143 -0.284 9.540 1.00 20.23 O ATOM 1054 CG2 THR A 68 2.497 -0.190 9.293 1.00 72.11 C ATOM 0 H THR A 68 -0.748 -2.189 9.373 1.00 55.02 H new ATOM 0 HA THR A 68 1.409 -1.927 7.620 1.00 3.24 H new ATOM 0 HB THR A 68 1.447 -1.516 10.606 1.00 11.34 H new ATOM 0 HG1 THR A 68 0.335 0.607 9.901 1.00 20.23 H new ATOM 0 HG21 THR A 68 2.540 0.627 10.013 1.00 72.11 H new ATOM 0 HG22 THR A 68 3.418 -0.771 9.348 1.00 72.11 H new ATOM 0 HG23 THR A 68 2.384 0.218 8.288 1.00 72.11 H new ATOM 1062 N VAL A 69 1.911 -4.271 9.860 1.00 43.32 N ATOM 1063 CA VAL A 69 2.748 -5.412 10.219 1.00 55.23 C ATOM 1064 C VAL A 69 2.669 -6.485 9.129 1.00 63.02 C ATOM 1065 O VAL A 69 3.682 -7.081 8.757 1.00 1.01 O ATOM 1066 CB VAL A 69 2.289 -5.948 11.590 1.00 54.02 C ATOM 1067 CG1 VAL A 69 3.264 -7.001 12.136 1.00 73.44 C ATOM 1068 CG2 VAL A 69 2.183 -4.797 12.603 1.00 51.43 C ATOM 0 H VAL A 69 1.060 -4.207 10.419 1.00 43.32 H new ATOM 0 HA VAL A 69 3.792 -5.110 10.297 1.00 55.23 H new ATOM 0 HB VAL A 69 1.313 -6.412 11.448 1.00 54.02 H new ATOM 0 HG11 VAL A 69 2.910 -7.357 13.103 1.00 73.44 H new ATOM 0 HG12 VAL A 69 3.323 -7.838 11.440 1.00 73.44 H new ATOM 0 HG13 VAL A 69 4.252 -6.556 12.253 1.00 73.44 H new ATOM 0 HG21 VAL A 69 1.858 -5.189 13.567 1.00 51.43 H new ATOM 0 HG22 VAL A 69 3.157 -4.320 12.715 1.00 51.43 H new ATOM 0 HG23 VAL A 69 1.459 -4.064 12.247 1.00 51.43 H new ATOM 1078 N LYS A 70 1.469 -6.703 8.591 1.00 51.34 N ATOM 1079 CA LYS A 70 1.177 -7.626 7.502 1.00 24.21 C ATOM 1080 C LYS A 70 1.957 -7.197 6.250 1.00 72.01 C ATOM 1081 O LYS A 70 2.690 -8.000 5.676 1.00 14.14 O ATOM 1082 CB LYS A 70 -0.360 -7.666 7.333 1.00 4.42 C ATOM 1083 CG LYS A 70 -0.902 -8.981 6.765 1.00 14.33 C ATOM 1084 CD LYS A 70 -2.427 -9.069 6.920 1.00 40.22 C ATOM 1085 CE LYS A 70 -2.991 -10.362 6.322 1.00 4.23 C ATOM 1086 NZ LYS A 70 -2.764 -11.533 7.188 1.00 44.52 N ATOM 0 H LYS A 70 0.636 -6.216 8.921 1.00 51.34 H new ATOM 0 HA LYS A 70 1.505 -8.645 7.705 1.00 24.21 H new ATOM 0 HB2 LYS A 70 -0.824 -7.485 8.302 1.00 4.42 H new ATOM 0 HB3 LYS A 70 -0.662 -6.850 6.677 1.00 4.42 H new ATOM 0 HG2 LYS A 70 -0.636 -9.061 5.711 1.00 14.33 H new ATOM 0 HG3 LYS A 70 -0.433 -9.821 7.277 1.00 14.33 H new ATOM 0 HD2 LYS A 70 -2.688 -9.015 7.977 1.00 40.22 H new ATOM 0 HD3 LYS A 70 -2.891 -8.212 6.433 1.00 40.22 H new ATOM 0 HE2 LYS A 70 -4.061 -10.243 6.152 1.00 4.23 H new ATOM 0 HE3 LYS A 70 -2.531 -10.539 5.350 1.00 4.23 H new ATOM 0 HZ1 LYS A 70 -3.149 -12.383 6.730 1.00 44.52 H new ATOM 0 HZ2 LYS A 70 -1.743 -11.656 7.345 1.00 44.52 H new ATOM 0 HZ3 LYS A 70 -3.239 -11.387 8.101 1.00 44.52 H new ATOM 1100 N LEU A 71 1.915 -5.905 5.889 1.00 20.00 N ATOM 1101 CA LEU A 71 2.728 -5.337 4.812 1.00 51.31 C ATOM 1102 C LEU A 71 4.201 -5.626 5.060 1.00 54.43 C ATOM 1103 O LEU A 71 4.899 -6.026 4.137 1.00 70.45 O ATOM 1104 CB LEU A 71 2.612 -3.805 4.676 1.00 52.24 C ATOM 1105 CG LEU A 71 1.252 -3.181 4.385 1.00 3.30 C ATOM 1106 CD1 LEU A 71 1.421 -1.653 4.335 1.00 41.11 C ATOM 1107 CD2 LEU A 71 0.555 -3.661 3.122 1.00 11.52 C ATOM 0 H LEU A 71 1.309 -5.222 6.343 1.00 20.00 H new ATOM 0 HA LEU A 71 2.349 -5.803 3.902 1.00 51.31 H new ATOM 0 HB2 LEU A 71 2.982 -3.365 5.602 1.00 52.24 H new ATOM 0 HB3 LEU A 71 3.291 -3.495 3.882 1.00 52.24 H new ATOM 0 HG LEU A 71 0.597 -3.504 5.195 1.00 3.30 H new ATOM 0 HD11 LEU A 71 0.458 -1.187 4.128 1.00 41.11 H new ATOM 0 HD12 LEU A 71 1.797 -1.297 5.294 1.00 41.11 H new ATOM 0 HD13 LEU A 71 2.128 -1.391 3.548 1.00 41.11 H new ATOM 0 HD21 LEU A 71 -0.402 -3.150 3.018 1.00 11.52 H new ATOM 0 HD22 LEU A 71 1.180 -3.442 2.256 1.00 11.52 H new ATOM 0 HD23 LEU A 71 0.387 -4.736 3.185 1.00 11.52 H new ATOM 1119 N THR A 72 4.680 -5.402 6.288 1.00 62.24 N ATOM 1120 CA THR A 72 6.088 -5.514 6.629 1.00 33.53 C ATOM 1121 C THR A 72 6.601 -6.918 6.327 1.00 22.45 C ATOM 1122 O THR A 72 7.749 -7.058 5.903 1.00 70.11 O ATOM 1123 CB THR A 72 6.293 -5.119 8.101 1.00 44.04 C ATOM 1124 OG1 THR A 72 6.011 -3.741 8.265 1.00 34.04 O ATOM 1125 CG2 THR A 72 7.718 -5.394 8.587 1.00 14.25 C ATOM 0 H THR A 72 4.089 -5.136 7.076 1.00 62.24 H new ATOM 0 HA THR A 72 6.672 -4.828 6.016 1.00 33.53 H new ATOM 0 HB THR A 72 5.613 -5.729 8.696 1.00 44.04 H new ATOM 0 HG1 THR A 72 5.041 -3.602 8.253 1.00 34.04 H new ATOM 0 HG21 THR A 72 7.810 -5.097 9.632 1.00 14.25 H new ATOM 0 HG22 THR A 72 7.936 -6.458 8.491 1.00 14.25 H new ATOM 0 HG23 THR A 72 8.424 -4.823 7.985 1.00 14.25 H new ATOM 1133 N ARG A 73 5.780 -7.958 6.500 1.00 14.04 N ATOM 1134 CA ARG A 73 6.221 -9.309 6.194 1.00 64.33 C ATOM 1135 C ARG A 73 6.572 -9.469 4.712 1.00 62.14 C ATOM 1136 O ARG A 73 7.516 -10.194 4.401 1.00 11.41 O ATOM 1137 CB ARG A 73 5.177 -10.344 6.621 1.00 23.23 C ATOM 1138 CG ARG A 73 4.671 -10.151 8.063 1.00 41.42 C ATOM 1139 CD ARG A 73 4.252 -11.443 8.763 1.00 15.42 C ATOM 1140 NE ARG A 73 3.420 -12.282 7.892 1.00 53.44 N ATOM 1141 CZ ARG A 73 3.009 -13.530 8.113 1.00 21.22 C ATOM 1142 NH1 ARG A 73 3.231 -14.115 9.282 1.00 70.02 N ATOM 1143 NH2 ARG A 73 2.383 -14.186 7.142 1.00 4.40 N ATOM 0 H ARG A 73 4.823 -7.887 6.845 1.00 14.04 H new ATOM 0 HA ARG A 73 7.130 -9.488 6.769 1.00 64.33 H new ATOM 0 HB2 ARG A 73 4.329 -10.296 5.938 1.00 23.23 H new ATOM 0 HB3 ARG A 73 5.606 -11.341 6.526 1.00 23.23 H new ATOM 0 HG2 ARG A 73 5.455 -9.672 8.649 1.00 41.42 H new ATOM 0 HG3 ARG A 73 3.822 -9.468 8.049 1.00 41.42 H new ATOM 0 HD2 ARG A 73 5.140 -11.999 9.065 1.00 15.42 H new ATOM 0 HD3 ARG A 73 3.701 -11.203 9.673 1.00 15.42 H new ATOM 0 HE ARG A 73 3.121 -11.859 7.013 1.00 53.44 H new ATOM 0 HH11 ARG A 73 3.720 -13.609 10.021 1.00 70.02 H new ATOM 0 HH12 ARG A 73 2.913 -15.071 9.443 1.00 70.02 H new ATOM 0 HH21 ARG A 73 2.223 -13.734 6.242 1.00 4.40 H new ATOM 0 HH22 ARG A 73 2.063 -15.142 7.297 1.00 4.40 H new ATOM 1157 N SER A 74 5.864 -8.771 3.823 1.00 24.41 N ATOM 1158 CA SER A 74 6.116 -8.694 2.385 1.00 21.04 C ATOM 1159 C SER A 74 7.067 -7.554 1.987 1.00 35.42 C ATOM 1160 O SER A 74 7.236 -7.307 0.796 1.00 12.04 O ATOM 1161 CB SER A 74 4.772 -8.568 1.655 1.00 52.44 C ATOM 1162 OG SER A 74 4.213 -9.852 1.472 1.00 64.22 O ATOM 0 H SER A 74 5.056 -8.215 4.103 1.00 24.41 H new ATOM 0 HA SER A 74 6.626 -9.611 2.089 1.00 21.04 H new ATOM 0 HB2 SER A 74 4.091 -7.942 2.231 1.00 52.44 H new ATOM 0 HB3 SER A 74 4.914 -8.081 0.690 1.00 52.44 H new ATOM 0 HG SER A 74 3.354 -9.772 1.007 1.00 64.22 H new ATOM 1168 N ILE A 75 7.718 -6.865 2.929 1.00 40.23 N ATOM 1169 CA ILE A 75 8.826 -5.958 2.634 1.00 35.41 C ATOM 1170 C ILE A 75 10.081 -6.651 3.192 1.00 24.41 C ATOM 1171 O ILE A 75 10.496 -6.336 4.315 1.00 33.02 O ATOM 1172 CB ILE A 75 8.559 -4.536 3.188 1.00 15.30 C ATOM 1173 CG1 ILE A 75 7.229 -3.937 2.665 1.00 54.41 C ATOM 1174 CG2 ILE A 75 9.705 -3.588 2.783 1.00 61.13 C ATOM 1175 CD1 ILE A 75 6.765 -2.717 3.471 1.00 31.31 C ATOM 0 H ILE A 75 7.489 -6.922 3.921 1.00 40.23 H new ATOM 0 HA ILE A 75 8.958 -5.781 1.567 1.00 35.41 H new ATOM 0 HB ILE A 75 8.494 -4.631 4.272 1.00 15.30 H new ATOM 0 HG12 ILE A 75 7.351 -3.651 1.620 1.00 54.41 H new ATOM 0 HG13 ILE A 75 6.454 -4.703 2.697 1.00 54.41 H new ATOM 0 HG21 ILE A 75 9.509 -2.591 3.177 1.00 61.13 H new ATOM 0 HG22 ILE A 75 10.646 -3.960 3.189 1.00 61.13 H new ATOM 0 HG23 ILE A 75 9.772 -3.542 1.696 1.00 61.13 H new ATOM 0 HD11 ILE A 75 5.829 -2.342 3.057 1.00 31.31 H new ATOM 0 HD12 ILE A 75 6.612 -3.005 4.511 1.00 31.31 H new ATOM 0 HD13 ILE A 75 7.524 -1.936 3.418 1.00 31.31 H new ATOM 1187 N PRO A 76 10.671 -7.626 2.472 1.00 23.04 N ATOM 1188 CA PRO A 76 11.857 -8.354 2.920 1.00 71.54 C ATOM 1189 C PRO A 76 13.067 -7.406 3.023 1.00 35.34 C ATOM 1190 O PRO A 76 13.010 -6.259 2.573 1.00 65.33 O ATOM 1191 CB PRO A 76 12.038 -9.462 1.869 1.00 14.24 C ATOM 1192 CG PRO A 76 11.533 -8.818 0.601 1.00 14.11 C ATOM 1193 CD PRO A 76 10.299 -8.091 1.142 1.00 50.41 C ATOM 0 HA PRO A 76 11.758 -8.779 3.919 1.00 71.54 H new ATOM 0 HB2 PRO A 76 13.081 -9.766 1.779 1.00 14.24 H new ATOM 0 HB3 PRO A 76 11.467 -10.355 2.123 1.00 14.24 H new ATOM 0 HG2 PRO A 76 12.260 -8.134 0.163 1.00 14.11 H new ATOM 0 HG3 PRO A 76 11.282 -9.550 -0.166 1.00 14.11 H new ATOM 0 HD2 PRO A 76 10.022 -7.256 0.498 1.00 50.41 H new ATOM 0 HD3 PRO A 76 9.439 -8.759 1.186 1.00 50.41 H new ATOM 1201 N ALA A 77 14.174 -7.866 3.611 1.00 32.34 N ATOM 1202 CA ALA A 77 15.398 -7.085 3.790 1.00 41.02 C ATOM 1203 C ALA A 77 15.928 -6.488 2.472 1.00 63.25 C ATOM 1204 O ALA A 77 16.233 -5.294 2.455 1.00 30.43 O ATOM 1205 CB ALA A 77 16.465 -7.913 4.511 1.00 0.23 C ATOM 0 H ALA A 77 14.245 -8.813 3.984 1.00 32.34 H new ATOM 0 HA ALA A 77 15.144 -6.232 4.419 1.00 41.02 H new ATOM 0 HB1 ALA A 77 17.368 -7.315 4.635 1.00 0.23 H new ATOM 0 HB2 ALA A 77 16.092 -8.214 5.490 1.00 0.23 H new ATOM 0 HB3 ALA A 77 16.696 -8.801 3.922 1.00 0.23 H new ATOM 1211 N PRO A 78 15.990 -7.220 1.340 1.00 23.33 N ATOM 1212 CA PRO A 78 16.373 -6.630 0.058 1.00 43.23 C ATOM 1213 C PRO A 78 15.453 -5.505 -0.425 1.00 73.23 C ATOM 1214 O PRO A 78 15.890 -4.658 -1.205 1.00 51.32 O ATOM 1215 CB PRO A 78 16.418 -7.789 -0.949 1.00 2.30 C ATOM 1216 CG PRO A 78 15.611 -8.896 -0.277 1.00 1.24 C ATOM 1217 CD PRO A 78 15.896 -8.665 1.195 1.00 13.15 C ATOM 0 HA PRO A 78 17.340 -6.139 0.167 1.00 43.23 H new ATOM 0 HB2 PRO A 78 15.982 -7.503 -1.906 1.00 2.30 H new ATOM 0 HB3 PRO A 78 17.442 -8.106 -1.147 1.00 2.30 H new ATOM 0 HG2 PRO A 78 14.547 -8.816 -0.502 1.00 1.24 H new ATOM 0 HG3 PRO A 78 15.932 -9.886 -0.602 1.00 1.24 H new ATOM 0 HD2 PRO A 78 15.101 -9.073 1.819 1.00 13.15 H new ATOM 0 HD3 PRO A 78 16.822 -9.153 1.499 1.00 13.15 H new ATOM 1225 N TYR A 79 14.207 -5.439 0.045 1.00 12.44 N ATOM 1226 CA TYR A 79 13.159 -4.588 -0.514 1.00 35.53 C ATOM 1227 C TYR A 79 12.766 -3.442 0.428 1.00 44.30 C ATOM 1228 O TYR A 79 11.760 -2.762 0.220 1.00 73.42 O ATOM 1229 CB TYR A 79 11.968 -5.475 -0.905 1.00 32.12 C ATOM 1230 CG TYR A 79 12.199 -6.432 -2.071 1.00 74.02 C ATOM 1231 CD1 TYR A 79 13.270 -6.211 -2.960 1.00 12.33 C ATOM 1232 CD2 TYR A 79 11.311 -7.506 -2.325 1.00 53.11 C ATOM 1233 CE1 TYR A 79 13.478 -7.041 -4.056 1.00 13.45 C ATOM 1234 CE2 TYR A 79 11.477 -8.317 -3.470 1.00 30.41 C ATOM 1235 CZ TYR A 79 12.589 -8.100 -4.316 1.00 63.53 C ATOM 1236 OH TYR A 79 12.813 -8.916 -5.370 1.00 22.45 O ATOM 0 H TYR A 79 13.892 -5.989 0.844 1.00 12.44 H new ATOM 0 HA TYR A 79 13.538 -4.091 -1.407 1.00 35.53 H new ATOM 0 HB2 TYR A 79 11.675 -6.060 -0.033 1.00 32.12 H new ATOM 0 HB3 TYR A 79 11.126 -4.829 -1.153 1.00 32.12 H new ATOM 0 HD1 TYR A 79 13.941 -5.383 -2.787 1.00 12.33 H new ATOM 0 HD2 TYR A 79 10.502 -7.706 -1.639 1.00 53.11 H new ATOM 0 HE1 TYR A 79 14.322 -6.873 -4.708 1.00 13.45 H new ATOM 0 HE2 TYR A 79 10.762 -9.094 -3.697 1.00 30.41 H new ATOM 0 HH TYR A 79 12.110 -9.597 -5.412 1.00 22.45 H new ATOM 1246 N LYS A 80 13.561 -3.183 1.469 1.00 1.14 N ATOM 1247 CA LYS A 80 13.319 -2.084 2.403 1.00 61.22 C ATOM 1248 C LYS A 80 13.300 -0.748 1.673 1.00 44.21 C ATOM 1249 O LYS A 80 12.324 -0.006 1.776 1.00 4.13 O ATOM 1250 CB LYS A 80 14.360 -2.088 3.538 1.00 74.10 C ATOM 1251 CG LYS A 80 14.320 -3.372 4.382 1.00 61.04 C ATOM 1252 CD LYS A 80 13.052 -3.480 5.225 1.00 31.14 C ATOM 1253 CE LYS A 80 12.994 -4.826 5.946 1.00 73.40 C ATOM 1254 NZ LYS A 80 11.687 -5.007 6.606 1.00 20.33 N ATOM 0 H LYS A 80 14.393 -3.732 1.687 1.00 1.14 H new ATOM 0 HA LYS A 80 12.338 -2.230 2.854 1.00 61.22 H new ATOM 0 HB2 LYS A 80 15.356 -1.971 3.111 1.00 74.10 H new ATOM 0 HB3 LYS A 80 14.188 -1.228 4.185 1.00 74.10 H new ATOM 0 HG2 LYS A 80 14.389 -4.238 3.723 1.00 61.04 H new ATOM 0 HG3 LYS A 80 15.191 -3.399 5.037 1.00 61.04 H new ATOM 0 HD2 LYS A 80 13.024 -2.670 5.954 1.00 31.14 H new ATOM 0 HD3 LYS A 80 12.175 -3.365 4.588 1.00 31.14 H new ATOM 0 HE2 LYS A 80 13.162 -5.634 5.234 1.00 73.40 H new ATOM 0 HE3 LYS A 80 13.792 -4.883 6.686 1.00 73.40 H new ATOM 0 HZ1 LYS A 80 11.810 -5.571 7.471 1.00 20.33 H new ATOM 0 HZ2 LYS A 80 11.291 -4.078 6.852 1.00 20.33 H new ATOM 0 HZ3 LYS A 80 11.038 -5.500 5.961 1.00 20.33 H new ATOM 1268 N GLN A 81 14.356 -0.426 0.931 1.00 62.13 N ATOM 1269 CA GLN A 81 14.604 0.934 0.450 1.00 25.44 C ATOM 1270 C GLN A 81 14.119 1.156 -0.982 1.00 43.51 C ATOM 1271 O GLN A 81 14.671 2.001 -1.699 1.00 64.11 O ATOM 1272 CB GLN A 81 16.086 1.280 0.624 1.00 52.23 C ATOM 1273 CG GLN A 81 16.533 1.146 2.079 1.00 71.22 C ATOM 1274 CD GLN A 81 17.744 2.029 2.321 1.00 4.25 C ATOM 1275 OE1 GLN A 81 17.598 3.171 2.757 1.00 25.42 O ATOM 1276 NE2 GLN A 81 18.944 1.555 2.042 1.00 62.55 N ATOM 0 H GLN A 81 15.066 -1.100 0.645 1.00 62.13 H new ATOM 0 HA GLN A 81 14.014 1.619 1.058 1.00 25.44 H new ATOM 0 HB2 GLN A 81 16.689 0.623 -0.003 1.00 52.23 H new ATOM 0 HB3 GLN A 81 16.264 2.299 0.282 1.00 52.23 H new ATOM 0 HG2 GLN A 81 15.721 1.433 2.748 1.00 71.22 H new ATOM 0 HG3 GLN A 81 16.777 0.107 2.301 1.00 71.22 H new ATOM 0 HE21 GLN A 81 19.046 0.606 1.681 1.00 62.55 H new ATOM 0 HE22 GLN A 81 19.769 2.137 2.187 1.00 62.55 H new ATOM 1285 N LEU A 82 13.100 0.401 -1.405 1.00 70.41 N ATOM 1286 CA LEU A 82 12.672 0.451 -2.794 1.00 3.21 C ATOM 1287 C LEU A 82 12.140 1.838 -3.184 1.00 24.12 C ATOM 1288 O LEU A 82 12.326 2.302 -4.305 1.00 33.40 O ATOM 1289 CB LEU A 82 11.687 -0.655 -3.148 1.00 63.21 C ATOM 1290 CG LEU A 82 12.263 -2.075 -3.036 1.00 61.22 C ATOM 1291 CD1 LEU A 82 11.139 -3.103 -3.210 1.00 62.05 C ATOM 1292 CD2 LEU A 82 13.439 -2.367 -3.982 1.00 5.05 C ATOM 0 H LEU A 82 12.569 -0.238 -0.814 1.00 70.41 H new ATOM 0 HA LEU A 82 13.565 0.269 -3.393 1.00 3.21 H new ATOM 0 HB2 LEU A 82 10.819 -0.575 -2.494 1.00 63.21 H new ATOM 0 HB3 LEU A 82 11.334 -0.498 -4.167 1.00 63.21 H new ATOM 0 HG LEU A 82 12.691 -2.154 -2.037 1.00 61.22 H new ATOM 0 HD11 LEU A 82 11.551 -4.109 -3.130 1.00 62.05 H new ATOM 0 HD12 LEU A 82 10.388 -2.956 -2.434 1.00 62.05 H new ATOM 0 HD13 LEU A 82 10.678 -2.976 -4.190 1.00 62.05 H new ATOM 0 HD21 LEU A 82 13.780 -3.391 -3.833 1.00 5.05 H new ATOM 0 HD22 LEU A 82 13.115 -2.239 -5.015 1.00 5.05 H new ATOM 0 HD23 LEU A 82 14.256 -1.678 -3.770 1.00 5.05 H new ATOM 1304 N LEU A 83 11.553 2.531 -2.207 1.00 42.41 N ATOM 1305 CA LEU A 83 11.061 3.911 -2.270 1.00 3.43 C ATOM 1306 C LEU A 83 12.163 4.935 -2.564 1.00 71.33 C ATOM 1307 O LEU A 83 11.862 6.117 -2.736 1.00 43.03 O ATOM 1308 CB LEU A 83 10.441 4.254 -0.896 1.00 52.30 C ATOM 1309 CG LEU A 83 8.918 4.396 -0.874 1.00 64.44 C ATOM 1310 CD1 LEU A 83 8.466 4.633 0.574 1.00 50.14 C ATOM 1311 CD2 LEU A 83 8.445 5.560 -1.740 1.00 22.24 C ATOM 0 H LEU A 83 11.398 2.116 -1.288 1.00 42.41 H new ATOM 0 HA LEU A 83 10.340 3.967 -3.086 1.00 3.43 H new ATOM 0 HB2 LEU A 83 10.726 3.478 -0.185 1.00 52.30 H new ATOM 0 HB3 LEU A 83 10.880 5.187 -0.542 1.00 52.30 H new ATOM 0 HG LEU A 83 8.483 3.480 -1.275 1.00 64.44 H new ATOM 0 HD11 LEU A 83 7.381 4.736 0.604 1.00 50.14 H new ATOM 0 HD12 LEU A 83 8.768 3.787 1.192 1.00 50.14 H new ATOM 0 HD13 LEU A 83 8.928 5.544 0.955 1.00 50.14 H new ATOM 0 HD21 LEU A 83 7.358 5.627 -1.697 1.00 22.24 H new ATOM 0 HD22 LEU A 83 8.880 6.489 -1.371 1.00 22.24 H new ATOM 0 HD23 LEU A 83 8.758 5.397 -2.771 1.00 22.24 H new ATOM 1323 N LYS A 84 13.432 4.530 -2.582 1.00 63.23 N ATOM 1324 CA LYS A 84 14.542 5.426 -2.873 1.00 55.32 C ATOM 1325 C LYS A 84 15.236 4.969 -4.147 1.00 75.23 C ATOM 1326 O LYS A 84 15.696 5.791 -4.925 1.00 22.41 O ATOM 1327 CB LYS A 84 15.535 5.538 -1.715 1.00 23.33 C ATOM 1328 CG LYS A 84 14.963 5.202 -0.336 1.00 71.30 C ATOM 1329 CD LYS A 84 15.929 5.693 0.750 1.00 11.24 C ATOM 1330 CE LYS A 84 15.335 5.524 2.154 1.00 71.12 C ATOM 1331 NZ LYS A 84 16.388 5.692 3.176 1.00 4.13 N ATOM 0 H LYS A 84 13.716 3.569 -2.394 1.00 63.23 H new ATOM 0 HA LYS A 84 14.135 6.427 -3.015 1.00 55.32 H new ATOM 0 HB2 LYS A 84 16.377 4.875 -1.913 1.00 23.33 H new ATOM 0 HB3 LYS A 84 15.928 6.554 -1.691 1.00 23.33 H new ATOM 0 HG2 LYS A 84 13.988 5.672 -0.210 1.00 71.30 H new ATOM 0 HG3 LYS A 84 14.812 4.126 -0.245 1.00 71.30 H new ATOM 0 HD2 LYS A 84 16.866 5.139 0.682 1.00 11.24 H new ATOM 0 HD3 LYS A 84 16.166 6.743 0.579 1.00 11.24 H new ATOM 0 HE2 LYS A 84 14.544 6.257 2.313 1.00 71.12 H new ATOM 0 HE3 LYS A 84 14.880 4.538 2.248 1.00 71.12 H new ATOM 0 HZ1 LYS A 84 15.948 5.830 4.108 1.00 4.13 H new ATOM 0 HZ2 LYS A 84 16.989 4.843 3.198 1.00 4.13 H new ATOM 0 HZ3 LYS A 84 16.970 6.522 2.942 1.00 4.13 H new ATOM 1345 N GLU A 85 15.305 3.663 -4.368 1.00 74.44 N ATOM 1346 CA GLU A 85 16.196 3.095 -5.390 1.00 3.43 C ATOM 1347 C GLU A 85 15.548 3.200 -6.761 1.00 4.22 C ATOM 1348 O GLU A 85 16.225 3.372 -7.769 1.00 53.43 O ATOM 1349 CB GLU A 85 16.498 1.660 -5.045 1.00 62.23 C ATOM 1350 CG GLU A 85 15.412 0.685 -5.159 1.00 64.25 C ATOM 1351 CD GLU A 85 15.918 -0.588 -4.477 1.00 35.12 C ATOM 1352 OE1 GLU A 85 15.983 -0.647 -3.227 1.00 51.20 O ATOM 1353 OE2 GLU A 85 16.364 -1.515 -5.196 1.00 74.43 O ATOM 0 H GLU A 85 14.757 2.971 -3.857 1.00 74.44 H new ATOM 0 HA GLU A 85 17.131 3.654 -5.415 1.00 3.43 H new ATOM 0 HB2 GLU A 85 17.315 1.327 -5.685 1.00 62.23 H new ATOM 0 HB3 GLU A 85 16.865 1.633 -4.019 1.00 62.23 H new ATOM 0 HG2 GLU A 85 14.505 1.052 -4.678 1.00 64.25 H new ATOM 0 HG3 GLU A 85 15.164 0.496 -6.204 1.00 64.25 H new ATOM 1360 N GLU A 86 14.226 3.081 -6.774 1.00 50.22 N ATOM 1361 CA GLU A 86 13.417 3.207 -7.994 1.00 74.34 C ATOM 1362 C GLU A 86 12.764 4.587 -8.089 1.00 61.12 C ATOM 1363 O GLU A 86 12.242 4.988 -9.129 1.00 31.43 O ATOM 1364 CB GLU A 86 12.374 2.083 -8.029 1.00 53.02 C ATOM 1365 CG GLU A 86 13.066 0.716 -8.126 1.00 32.10 C ATOM 1366 CD GLU A 86 12.383 -0.241 -9.103 1.00 74.45 C ATOM 1367 OE1 GLU A 86 12.301 0.042 -10.317 1.00 3.15 O ATOM 1368 OE2 GLU A 86 11.949 -1.330 -8.655 1.00 52.23 O ATOM 0 H GLU A 86 13.675 2.893 -5.936 1.00 50.22 H new ATOM 0 HA GLU A 86 14.066 3.109 -8.864 1.00 74.34 H new ATOM 0 HB2 GLU A 86 11.757 2.123 -7.132 1.00 53.02 H new ATOM 0 HB3 GLU A 86 11.708 2.222 -8.881 1.00 53.02 H new ATOM 0 HG2 GLU A 86 14.101 0.862 -8.435 1.00 32.10 H new ATOM 0 HG3 GLU A 86 13.090 0.258 -7.137 1.00 32.10 H new ATOM 1375 N LEU A 87 12.807 5.318 -6.978 1.00 51.44 N ATOM 1376 CA LEU A 87 12.190 6.619 -6.814 1.00 11.54 C ATOM 1377 C LEU A 87 13.208 7.668 -6.381 1.00 50.42 C ATOM 1378 O LEU A 87 13.685 8.424 -7.225 1.00 51.44 O ATOM 1379 CB LEU A 87 10.977 6.525 -5.879 1.00 24.32 C ATOM 1380 CG LEU A 87 9.737 5.959 -6.578 1.00 4.15 C ATOM 1381 CD1 LEU A 87 9.615 4.470 -6.430 1.00 21.33 C ATOM 1382 CD2 LEU A 87 8.419 6.528 -6.036 1.00 73.41 C ATOM 0 H LEU A 87 13.293 5.003 -6.138 1.00 51.44 H new ATOM 0 HA LEU A 87 11.815 6.955 -7.781 1.00 11.54 H new ATOM 0 HB2 LEU A 87 11.228 5.894 -5.026 1.00 24.32 H new ATOM 0 HB3 LEU A 87 10.748 7.516 -5.486 1.00 24.32 H new ATOM 0 HG LEU A 87 9.887 6.247 -7.618 1.00 4.15 H new ATOM 0 HD11 LEU A 87 8.718 4.125 -6.945 1.00 21.33 H new ATOM 0 HD12 LEU A 87 10.491 3.988 -6.864 1.00 21.33 H new ATOM 0 HD13 LEU A 87 9.547 4.214 -5.373 1.00 21.33 H new ATOM 0 HD21 LEU A 87 7.582 6.084 -6.575 1.00 73.41 H new ATOM 0 HD22 LEU A 87 8.331 6.295 -4.975 1.00 73.41 H new ATOM 0 HD23 LEU A 87 8.406 7.609 -6.172 1.00 73.41 H new ATOM 1394 N GLY A 88 13.473 7.780 -5.078 1.00 23.34 N ATOM 1395 CA GLY A 88 14.385 8.768 -4.504 1.00 42.03 C ATOM 1396 C GLY A 88 13.794 9.531 -3.326 1.00 33.41 C ATOM 1397 O GLY A 88 14.315 10.590 -2.964 1.00 51.43 O ATOM 0 H GLY A 88 13.049 7.172 -4.378 1.00 23.34 H new ATOM 0 HA2 GLY A 88 15.296 8.264 -4.180 1.00 42.03 H new ATOM 0 HA3 GLY A 88 14.672 9.479 -5.279 1.00 42.03 H new ATOM 1401 N PHE A 89 12.687 9.058 -2.749 1.00 51.24 N ATOM 1402 CA PHE A 89 12.195 9.608 -1.500 1.00 4.01 C ATOM 1403 C PHE A 89 13.039 9.064 -0.348 1.00 23.41 C ATOM 1404 O PHE A 89 13.741 8.064 -0.491 1.00 53.14 O ATOM 1405 CB PHE A 89 10.710 9.289 -1.362 1.00 33.34 C ATOM 1406 CG PHE A 89 10.040 9.639 -0.052 1.00 22.23 C ATOM 1407 CD1 PHE A 89 9.664 10.967 0.214 1.00 72.21 C ATOM 1408 CD2 PHE A 89 9.694 8.623 0.855 1.00 43.23 C ATOM 1409 CE1 PHE A 89 8.918 11.277 1.365 1.00 62.43 C ATOM 1410 CE2 PHE A 89 8.942 8.927 2.001 1.00 53.13 C ATOM 1411 CZ PHE A 89 8.547 10.254 2.256 1.00 74.14 C ATOM 0 H PHE A 89 12.122 8.299 -3.130 1.00 51.24 H new ATOM 0 HA PHE A 89 12.290 10.694 -1.481 1.00 4.01 H new ATOM 0 HB2 PHE A 89 10.179 9.807 -2.161 1.00 33.34 H new ATOM 0 HB3 PHE A 89 10.578 8.221 -1.532 1.00 33.34 H new ATOM 0 HD1 PHE A 89 9.950 11.753 -0.469 1.00 72.21 H new ATOM 0 HD2 PHE A 89 10.007 7.606 0.670 1.00 43.23 H new ATOM 0 HE1 PHE A 89 8.630 12.299 1.564 1.00 62.43 H new ATOM 0 HE2 PHE A 89 8.666 8.141 2.688 1.00 53.13 H new ATOM 0 HZ PHE A 89 7.961 10.486 3.133 1.00 74.14 H new ATOM 1567 N ARG A 100 -0.850 11.512 8.934 1.00 44.35 N ATOM 1568 CA ARG A 100 -1.536 11.275 7.659 1.00 32.01 C ATOM 1569 C ARG A 100 -0.547 11.071 6.509 1.00 13.10 C ATOM 1570 O ARG A 100 -0.932 10.555 5.458 1.00 63.52 O ATOM 1571 CB ARG A 100 -2.474 12.457 7.365 1.00 60.23 C ATOM 1572 CG ARG A 100 -3.607 12.567 8.402 1.00 64.32 C ATOM 1573 CD ARG A 100 -3.880 14.027 8.762 1.00 11.10 C ATOM 1574 NE ARG A 100 -4.880 14.128 9.835 1.00 20.42 N ATOM 1575 CZ ARG A 100 -6.199 14.246 9.666 1.00 62.40 C ATOM 1576 NH1 ARG A 100 -6.733 14.253 8.452 1.00 2.22 N ATOM 1577 NH2 ARG A 100 -6.967 14.350 10.742 1.00 44.31 N ATOM 0 HA ARG A 100 -2.116 10.356 7.744 1.00 32.01 H new ATOM 0 HB2 ARG A 100 -1.899 13.383 7.357 1.00 60.23 H new ATOM 0 HB3 ARG A 100 -2.903 12.340 6.370 1.00 60.23 H new ATOM 0 HG2 ARG A 100 -4.514 12.111 8.005 1.00 64.32 H new ATOM 0 HG3 ARG A 100 -3.338 12.011 9.300 1.00 64.32 H new ATOM 0 HD2 ARG A 100 -2.953 14.507 9.077 1.00 11.10 H new ATOM 0 HD3 ARG A 100 -4.232 14.563 7.880 1.00 11.10 H new ATOM 0 HE ARG A 100 -4.535 14.106 10.795 1.00 20.42 H new ATOM 0 HH11 ARG A 100 -6.134 14.167 7.631 1.00 2.22 H new ATOM 0 HH12 ARG A 100 -7.743 14.344 8.339 1.00 2.22 H new ATOM 0 HH21 ARG A 100 -6.547 14.339 11.671 1.00 44.31 H new ATOM 0 HH22 ARG A 100 -7.978 14.441 10.640 1.00 44.31 H new ATOM 1591 N LYS A 101 0.722 11.436 6.701 1.00 74.40 N ATOM 1592 CA LYS A 101 1.792 11.290 5.728 1.00 70.13 C ATOM 1593 C LYS A 101 2.603 10.033 6.044 1.00 33.53 C ATOM 1594 O LYS A 101 2.920 9.276 5.130 1.00 61.13 O ATOM 1595 CB LYS A 101 2.659 12.563 5.758 1.00 13.32 C ATOM 1596 CG LYS A 101 2.195 13.654 4.771 1.00 52.34 C ATOM 1597 CD LYS A 101 3.074 14.913 4.894 1.00 11.13 C ATOM 1598 CE LYS A 101 3.287 15.689 3.593 1.00 64.14 C ATOM 1599 NZ LYS A 101 2.166 16.565 3.203 1.00 12.13 N ATOM 0 H LYS A 101 1.039 11.857 7.574 1.00 74.40 H new ATOM 0 HA LYS A 101 1.391 11.172 4.721 1.00 70.13 H new ATOM 0 HB2 LYS A 101 2.652 12.973 6.768 1.00 13.32 H new ATOM 0 HB3 LYS A 101 3.691 12.295 5.530 1.00 13.32 H new ATOM 0 HG2 LYS A 101 2.241 13.271 3.751 1.00 52.34 H new ATOM 0 HG3 LYS A 101 1.154 13.911 4.969 1.00 52.34 H new ATOM 0 HD2 LYS A 101 2.623 15.581 5.627 1.00 11.13 H new ATOM 0 HD3 LYS A 101 4.048 14.620 5.287 1.00 11.13 H new ATOM 0 HE2 LYS A 101 4.187 16.297 3.692 1.00 64.14 H new ATOM 0 HE3 LYS A 101 3.470 14.977 2.788 1.00 64.14 H new ATOM 0 HZ1 LYS A 101 2.485 17.231 2.471 1.00 12.13 H new ATOM 0 HZ2 LYS A 101 1.387 15.986 2.829 1.00 12.13 H new ATOM 0 HZ3 LYS A 101 1.835 17.096 4.034 1.00 12.13 H new ATOM 1613 N THR A 102 2.917 9.776 7.317 1.00 0.33 N ATOM 1614 CA THR A 102 3.832 8.705 7.708 1.00 2.45 C ATOM 1615 C THR A 102 3.375 7.329 7.214 1.00 74.11 C ATOM 1616 O THR A 102 4.172 6.556 6.679 1.00 34.54 O ATOM 1617 CB THR A 102 3.992 8.694 9.236 1.00 61.20 C ATOM 1618 OG1 THR A 102 2.730 8.671 9.872 1.00 44.14 O ATOM 1619 CG2 THR A 102 4.784 9.894 9.755 1.00 33.05 C ATOM 0 H THR A 102 2.543 10.306 8.104 1.00 0.33 H new ATOM 0 HA THR A 102 4.793 8.907 7.234 1.00 2.45 H new ATOM 0 HB THR A 102 4.551 7.789 9.475 1.00 61.20 H new ATOM 0 HG1 THR A 102 2.854 8.663 10.844 1.00 44.14 H new ATOM 0 HG21 THR A 102 4.866 9.834 10.840 1.00 33.05 H new ATOM 0 HG22 THR A 102 5.781 9.889 9.315 1.00 33.05 H new ATOM 0 HG23 THR A 102 4.270 10.815 9.480 1.00 33.05 H new ATOM 1627 N ARG A 103 2.098 6.985 7.406 1.00 1.04 N ATOM 1628 CA ARG A 103 1.597 5.655 7.053 1.00 22.23 C ATOM 1629 C ARG A 103 1.502 5.520 5.539 1.00 55.21 C ATOM 1630 O ARG A 103 1.828 4.463 5.010 1.00 24.03 O ATOM 1631 CB ARG A 103 0.261 5.379 7.756 1.00 72.22 C ATOM 1632 CG ARG A 103 0.432 5.376 9.284 1.00 62.51 C ATOM 1633 CD ARG A 103 -0.895 5.583 10.012 1.00 32.44 C ATOM 1634 NE ARG A 103 -0.643 6.019 11.391 1.00 1.03 N ATOM 1635 CZ ARG A 103 -1.372 6.891 12.090 1.00 12.33 C ATOM 1636 NH1 ARG A 103 -2.520 7.380 11.627 1.00 12.40 N ATOM 1637 NH2 ARG A 103 -0.931 7.278 13.278 1.00 73.50 N ATOM 0 H ARG A 103 1.395 7.608 7.803 1.00 1.04 H new ATOM 0 HA ARG A 103 2.297 4.897 7.403 1.00 22.23 H new ATOM 0 HB2 ARG A 103 -0.468 6.137 7.470 1.00 72.22 H new ATOM 0 HB3 ARG A 103 -0.134 4.417 7.429 1.00 72.22 H new ATOM 0 HG2 ARG A 103 0.873 4.429 9.597 1.00 62.51 H new ATOM 0 HG3 ARG A 103 1.129 6.163 9.572 1.00 62.51 H new ATOM 0 HD2 ARG A 103 -1.495 6.328 9.489 1.00 32.44 H new ATOM 0 HD3 ARG A 103 -1.468 4.656 10.013 1.00 32.44 H new ATOM 0 HE ARG A 103 0.168 5.616 11.860 1.00 1.03 H new ATOM 0 HH11 ARG A 103 -2.866 7.089 10.713 1.00 12.40 H new ATOM 0 HH12 ARG A 103 -3.054 8.045 12.187 1.00 12.40 H new ATOM 0 HH21 ARG A 103 -0.051 6.910 13.640 1.00 73.50 H new ATOM 0 HH22 ARG A 103 -1.471 7.944 13.830 1.00 73.50 H new ATOM 1651 N ARG A 104 1.159 6.595 4.825 1.00 14.33 N ATOM 1652 CA ARG A 104 1.232 6.660 3.368 1.00 34.12 C ATOM 1653 C ARG A 104 2.631 6.316 2.861 1.00 5.15 C ATOM 1654 O ARG A 104 2.739 5.607 1.860 1.00 65.33 O ATOM 1655 CB ARG A 104 0.722 8.024 2.864 1.00 41.00 C ATOM 1656 CG ARG A 104 -0.682 7.904 2.251 1.00 22.10 C ATOM 1657 CD ARG A 104 -1.183 9.246 1.700 1.00 12.10 C ATOM 1658 NE ARG A 104 -1.795 10.101 2.735 1.00 22.50 N ATOM 1659 CZ ARG A 104 -3.012 10.658 2.690 1.00 54.34 C ATOM 1660 NH1 ARG A 104 -3.926 10.315 1.790 1.00 14.43 N ATOM 1661 NH2 ARG A 104 -3.340 11.585 3.575 1.00 4.33 N ATOM 0 H ARG A 104 0.818 7.456 5.252 1.00 14.33 H new ATOM 0 HA ARG A 104 0.572 5.900 2.950 1.00 34.12 H new ATOM 0 HB2 ARG A 104 0.701 8.734 3.690 1.00 41.00 H new ATOM 0 HB3 ARG A 104 1.413 8.421 2.120 1.00 41.00 H new ATOM 0 HG2 ARG A 104 -0.666 7.166 1.449 1.00 22.10 H new ATOM 0 HG3 ARG A 104 -1.378 7.539 3.006 1.00 22.10 H new ATOM 0 HD2 ARG A 104 -0.349 9.779 1.243 1.00 12.10 H new ATOM 0 HD3 ARG A 104 -1.913 9.059 0.912 1.00 12.10 H new ATOM 0 HE ARG A 104 -1.236 10.286 3.568 1.00 22.50 H new ATOM 0 HH11 ARG A 104 -3.714 9.600 1.095 1.00 14.43 H new ATOM 0 HH12 ARG A 104 -4.840 10.767 1.794 1.00 14.43 H new ATOM 0 HH21 ARG A 104 -2.668 11.872 4.286 1.00 4.33 H new ATOM 0 HH22 ARG A 104 -4.265 12.013 3.546 1.00 4.33 H new ATOM 1675 N ALA A 105 3.706 6.724 3.547 1.00 62.24 N ATOM 1676 CA ALA A 105 5.047 6.277 3.173 1.00 75.53 C ATOM 1677 C ALA A 105 5.149 4.753 3.291 1.00 22.54 C ATOM 1678 O ALA A 105 5.586 4.099 2.344 1.00 13.41 O ATOM 1679 CB ALA A 105 6.127 6.978 4.000 1.00 23.44 C ATOM 0 H ALA A 105 3.673 7.352 4.350 1.00 62.24 H new ATOM 0 HA ALA A 105 5.220 6.552 2.133 1.00 75.53 H new ATOM 0 HB1 ALA A 105 7.110 6.620 3.693 1.00 23.44 H new ATOM 0 HB2 ALA A 105 6.067 8.054 3.839 1.00 23.44 H new ATOM 0 HB3 ALA A 105 5.975 6.760 5.057 1.00 23.44 H new ATOM 1685 N THR A 106 4.711 4.178 4.415 1.00 24.44 N ATOM 1686 CA THR A 106 4.710 2.734 4.620 1.00 31.40 C ATOM 1687 C THR A 106 3.940 2.002 3.512 1.00 33.34 C ATOM 1688 O THR A 106 4.421 0.997 2.989 1.00 11.11 O ATOM 1689 CB THR A 106 4.107 2.394 5.995 1.00 73.02 C ATOM 1690 OG1 THR A 106 4.530 3.282 7.023 1.00 74.24 O ATOM 1691 CG2 THR A 106 4.465 0.955 6.358 1.00 73.21 C ATOM 0 H THR A 106 4.347 4.706 5.208 1.00 24.44 H new ATOM 0 HA THR A 106 5.745 2.395 4.584 1.00 31.40 H new ATOM 0 HB THR A 106 3.026 2.508 5.916 1.00 73.02 H new ATOM 0 HG1 THR A 106 4.116 3.021 7.872 1.00 74.24 H new ATOM 0 HG21 THR A 106 4.040 0.709 7.331 1.00 73.21 H new ATOM 0 HG22 THR A 106 4.062 0.279 5.604 1.00 73.21 H new ATOM 0 HG23 THR A 106 5.549 0.849 6.398 1.00 73.21 H new ATOM 1699 N MET A 107 2.753 2.501 3.163 1.00 54.43 N ATOM 1700 CA MET A 107 1.902 1.950 2.121 1.00 11.10 C ATOM 1701 C MET A 107 2.667 1.948 0.797 1.00 34.11 C ATOM 1702 O MET A 107 2.798 0.895 0.175 1.00 23.42 O ATOM 1703 CB MET A 107 0.614 2.776 2.019 1.00 32.15 C ATOM 1704 CG MET A 107 -0.285 2.697 3.261 1.00 42.13 C ATOM 1705 SD MET A 107 -1.324 4.166 3.527 1.00 35.24 S ATOM 1706 CE MET A 107 -2.624 3.915 2.292 1.00 11.35 C ATOM 0 H MET A 107 2.351 3.323 3.614 1.00 54.43 H new ATOM 0 HA MET A 107 1.627 0.923 2.363 1.00 11.10 H new ATOM 0 HB2 MET A 107 0.878 3.819 1.841 1.00 32.15 H new ATOM 0 HB3 MET A 107 0.047 2.438 1.152 1.00 32.15 H new ATOM 0 HG2 MET A 107 -0.929 1.822 3.174 1.00 42.13 H new ATOM 0 HG3 MET A 107 0.342 2.546 4.140 1.00 42.13 H new ATOM 0 HE1 MET A 107 -3.471 4.563 2.518 1.00 11.35 H new ATOM 0 HE2 MET A 107 -2.237 4.156 1.302 1.00 11.35 H new ATOM 0 HE3 MET A 107 -2.948 2.875 2.311 1.00 11.35 H new ATOM 1716 N THR A 108 3.241 3.090 0.404 1.00 34.10 N ATOM 1717 CA THR A 108 4.005 3.206 -0.836 1.00 41.41 C ATOM 1718 C THR A 108 5.151 2.188 -0.856 1.00 63.33 C ATOM 1719 O THR A 108 5.372 1.523 -1.863 1.00 1.43 O ATOM 1720 CB THR A 108 4.532 4.640 -1.029 1.00 42.33 C ATOM 1721 OG1 THR A 108 3.594 5.635 -0.676 1.00 15.14 O ATOM 1722 CG2 THR A 108 4.893 4.881 -2.496 1.00 74.12 C ATOM 0 H THR A 108 3.187 3.957 0.938 1.00 34.10 H new ATOM 0 HA THR A 108 3.339 2.985 -1.670 1.00 41.41 H new ATOM 0 HB THR A 108 5.399 4.718 -0.373 1.00 42.33 H new ATOM 0 HG1 THR A 108 3.609 5.769 0.295 1.00 15.14 H new ATOM 0 HG21 THR A 108 5.264 5.899 -2.617 1.00 74.12 H new ATOM 0 HG22 THR A 108 5.665 4.175 -2.802 1.00 74.12 H new ATOM 0 HG23 THR A 108 4.008 4.741 -3.116 1.00 74.12 H new ATOM 1730 N ASN A 109 5.854 2.006 0.267 1.00 61.31 N ATOM 1731 CA ASN A 109 6.967 1.064 0.373 1.00 3.33 C ATOM 1732 C ASN A 109 6.541 -0.364 0.033 1.00 55.42 C ATOM 1733 O ASN A 109 7.329 -1.113 -0.545 1.00 45.51 O ATOM 1734 CB ASN A 109 7.526 1.095 1.804 1.00 22.01 C ATOM 1735 CG ASN A 109 8.954 0.585 1.966 1.00 23.32 C ATOM 1736 OD1 ASN A 109 9.601 0.980 2.933 1.00 33.54 O ATOM 1737 ND2 ASN A 109 9.472 -0.290 1.120 1.00 12.04 N ATOM 0 H ASN A 109 5.663 2.512 1.132 1.00 61.31 H new ATOM 0 HA ASN A 109 7.729 1.368 -0.344 1.00 3.33 H new ATOM 0 HB2 ASN A 109 7.482 2.121 2.170 1.00 22.01 H new ATOM 0 HB3 ASN A 109 6.873 0.501 2.443 1.00 22.01 H new ATOM 0 HD21 ASN A 109 10.417 -0.644 1.267 1.00 12.04 H new ATOM 0 HD22 ASN A 109 8.926 -0.611 0.321 1.00 12.04 H new ATOM 1744 N TRP A 110 5.322 -0.750 0.416 1.00 53.00 N ATOM 1745 CA TRP A 110 4.784 -2.062 0.097 1.00 25.13 C ATOM 1746 C TRP A 110 4.510 -2.185 -1.401 1.00 51.13 C ATOM 1747 O TRP A 110 4.807 -3.240 -1.953 1.00 53.22 O ATOM 1748 CB TRP A 110 3.528 -2.340 0.931 1.00 25.12 C ATOM 1749 CG TRP A 110 2.850 -3.638 0.623 1.00 20.13 C ATOM 1750 CD1 TRP A 110 3.029 -4.821 1.255 1.00 20.22 C ATOM 1751 CD2 TRP A 110 1.782 -3.865 -0.339 1.00 24.42 C ATOM 1752 NE1 TRP A 110 2.250 -5.791 0.646 1.00 41.22 N ATOM 1753 CE2 TRP A 110 1.452 -5.248 -0.336 1.00 41.03 C ATOM 1754 CE3 TRP A 110 1.019 -3.025 -1.172 1.00 32.02 C ATOM 1755 CZ2 TRP A 110 0.469 -5.779 -1.182 1.00 40.44 C ATOM 1756 CZ3 TRP A 110 -0.031 -3.534 -1.955 1.00 1.34 C ATOM 1757 CH2 TRP A 110 -0.285 -4.915 -1.992 1.00 2.43 C ATOM 0 H TRP A 110 4.687 -0.160 0.954 1.00 53.00 H new ATOM 0 HA TRP A 110 5.526 -2.818 0.353 1.00 25.13 H new ATOM 0 HB2 TRP A 110 3.799 -2.328 1.987 1.00 25.12 H new ATOM 0 HB3 TRP A 110 2.817 -1.528 0.775 1.00 25.12 H new ATOM 0 HD1 TRP A 110 3.678 -4.984 2.103 1.00 20.22 H new ATOM 0 HE1 TRP A 110 2.265 -6.780 0.893 1.00 41.22 H new ATOM 0 HE3 TRP A 110 1.245 -1.970 -1.210 1.00 32.02 H new ATOM 0 HZ2 TRP A 110 0.293 -6.844 -1.211 1.00 40.44 H new ATOM 0 HZ3 TRP A 110 -0.646 -2.859 -2.532 1.00 1.34 H new ATOM 0 HH2 TRP A 110 -1.055 -5.309 -2.639 1.00 2.43 H new ATOM 1768 N LEU A 111 4.005 -1.140 -2.076 1.00 63.24 N ATOM 1769 CA LEU A 111 3.688 -1.210 -3.508 1.00 75.24 C ATOM 1770 C LEU A 111 4.899 -1.629 -4.349 1.00 44.34 C ATOM 1771 O LEU A 111 4.762 -2.464 -5.246 1.00 55.23 O ATOM 1772 CB LEU A 111 3.072 0.103 -4.033 1.00 52.22 C ATOM 1773 CG LEU A 111 1.554 0.232 -3.754 1.00 53.53 C ATOM 1774 CD1 LEU A 111 1.212 1.499 -2.965 1.00 1.33 C ATOM 1775 CD2 LEU A 111 0.733 0.250 -5.047 1.00 54.43 C ATOM 0 H LEU A 111 3.808 -0.235 -1.650 1.00 63.24 H new ATOM 0 HA LEU A 111 2.933 -1.989 -3.615 1.00 75.24 H new ATOM 0 HB2 LEU A 111 3.590 0.946 -3.575 1.00 52.22 H new ATOM 0 HB3 LEU A 111 3.242 0.170 -5.108 1.00 52.22 H new ATOM 0 HG LEU A 111 1.297 -0.647 -3.162 1.00 53.53 H new ATOM 0 HD11 LEU A 111 0.136 1.543 -2.795 1.00 1.33 H new ATOM 0 HD12 LEU A 111 1.730 1.482 -2.006 1.00 1.33 H new ATOM 0 HD13 LEU A 111 1.526 2.376 -3.531 1.00 1.33 H new ATOM 0 HD21 LEU A 111 -0.326 0.342 -4.805 1.00 54.43 H new ATOM 0 HD22 LEU A 111 1.039 1.097 -5.661 1.00 54.43 H new ATOM 0 HD23 LEU A 111 0.900 -0.676 -5.597 1.00 54.43 H new ATOM 1787 N LEU A 112 6.094 -1.118 -4.035 1.00 25.43 N ATOM 1788 CA LEU A 112 7.317 -1.558 -4.693 1.00 73.11 C ATOM 1789 C LEU A 112 7.562 -3.051 -4.445 1.00 63.31 C ATOM 1790 O LEU A 112 7.809 -3.812 -5.379 1.00 52.34 O ATOM 1791 CB LEU A 112 8.533 -0.773 -4.182 1.00 42.10 C ATOM 1792 CG LEU A 112 8.724 0.697 -4.584 1.00 63.25 C ATOM 1793 CD1 LEU A 112 8.599 0.895 -6.092 1.00 1.04 C ATOM 1794 CD2 LEU A 112 7.873 1.647 -3.747 1.00 2.12 C ATOM 0 H LEU A 112 6.235 -0.398 -3.327 1.00 25.43 H new ATOM 0 HA LEU A 112 7.190 -1.377 -5.760 1.00 73.11 H new ATOM 0 HB2 LEU A 112 8.508 -0.810 -3.093 1.00 42.10 H new ATOM 0 HB3 LEU A 112 9.424 -1.314 -4.499 1.00 42.10 H new ATOM 0 HG LEU A 112 9.751 0.972 -4.345 1.00 63.25 H new ATOM 0 HD11 LEU A 112 8.741 1.948 -6.334 1.00 1.04 H new ATOM 0 HD12 LEU A 112 9.358 0.301 -6.601 1.00 1.04 H new ATOM 0 HD13 LEU A 112 7.609 0.578 -6.420 1.00 1.04 H new ATOM 0 HD21 LEU A 112 8.046 2.673 -4.072 1.00 2.12 H new ATOM 0 HD22 LEU A 112 6.819 1.399 -3.874 1.00 2.12 H new ATOM 0 HD23 LEU A 112 8.145 1.549 -2.696 1.00 2.12 H new ATOM 1806 N ALA A 113 7.535 -3.472 -3.176 1.00 1.13 N ATOM 1807 CA ALA A 113 7.879 -4.838 -2.790 1.00 54.24 C ATOM 1808 C ALA A 113 6.847 -5.857 -3.298 1.00 22.22 C ATOM 1809 O ALA A 113 7.190 -7.022 -3.501 1.00 74.24 O ATOM 1810 CB ALA A 113 8.026 -4.916 -1.269 1.00 51.21 C ATOM 0 H ALA A 113 7.274 -2.874 -2.392 1.00 1.13 H new ATOM 0 HA ALA A 113 8.829 -5.097 -3.258 1.00 54.24 H new ATOM 0 HB1 ALA A 113 8.283 -5.935 -0.980 1.00 51.21 H new ATOM 0 HB2 ALA A 113 8.815 -4.237 -0.944 1.00 51.21 H new ATOM 0 HB3 ALA A 113 7.085 -4.631 -0.797 1.00 51.21 H new ATOM 1816 N TYR A 114 5.602 -5.426 -3.499 1.00 13.02 N ATOM 1817 CA TYR A 114 4.560 -6.123 -4.238 1.00 22.15 C ATOM 1818 C TYR A 114 5.010 -6.281 -5.690 1.00 64.15 C ATOM 1819 O TYR A 114 5.106 -7.414 -6.159 1.00 74.22 O ATOM 1820 CB TYR A 114 3.241 -5.349 -4.084 1.00 43.31 C ATOM 1821 CG TYR A 114 2.161 -5.719 -5.081 1.00 22.24 C ATOM 1822 CD1 TYR A 114 2.081 -5.039 -6.311 1.00 43.20 C ATOM 1823 CD2 TYR A 114 1.230 -6.729 -4.781 1.00 62.33 C ATOM 1824 CE1 TYR A 114 1.097 -5.385 -7.247 1.00 41.34 C ATOM 1825 CE2 TYR A 114 0.264 -7.100 -5.733 1.00 11.34 C ATOM 1826 CZ TYR A 114 0.210 -6.446 -6.983 1.00 12.11 C ATOM 1827 OH TYR A 114 -0.665 -6.841 -7.943 1.00 73.31 O ATOM 0 H TYR A 114 5.280 -4.532 -3.129 1.00 13.02 H new ATOM 0 HA TYR A 114 4.386 -7.126 -3.848 1.00 22.15 H new ATOM 0 HB2 TYR A 114 2.857 -5.513 -3.077 1.00 43.31 H new ATOM 0 HB3 TYR A 114 3.450 -4.283 -4.176 1.00 43.31 H new ATOM 0 HD1 TYR A 114 2.781 -4.247 -6.534 1.00 43.20 H new ATOM 0 HD2 TYR A 114 1.257 -7.220 -3.819 1.00 62.33 H new ATOM 0 HE1 TYR A 114 1.019 -4.836 -8.174 1.00 41.34 H new ATOM 0 HE2 TYR A 114 -0.439 -7.888 -5.507 1.00 11.34 H new ATOM 0 HH TYR A 114 -1.207 -7.585 -7.606 1.00 73.31 H new ATOM 1837 N ARG A 115 5.312 -5.181 -6.399 1.00 14.44 N ATOM 1838 CA ARG A 115 5.598 -5.236 -7.829 1.00 1.12 C ATOM 1839 C ARG A 115 6.761 -6.177 -8.099 1.00 12.42 C ATOM 1840 O ARG A 115 6.682 -7.012 -8.996 1.00 11.01 O ATOM 1841 CB ARG A 115 5.864 -3.836 -8.413 1.00 51.30 C ATOM 1842 CG ARG A 115 5.873 -3.946 -9.944 1.00 32.31 C ATOM 1843 CD ARG A 115 6.425 -2.716 -10.666 1.00 33.43 C ATOM 1844 NE ARG A 115 7.879 -2.847 -10.870 1.00 1.14 N ATOM 1845 CZ ARG A 115 8.510 -3.059 -12.033 1.00 61.22 C ATOM 1846 NH1 ARG A 115 7.843 -3.057 -13.181 1.00 4.23 N ATOM 1847 NH2 ARG A 115 9.815 -3.288 -12.062 1.00 43.43 N ATOM 0 H ARG A 115 5.363 -4.245 -5.998 1.00 14.44 H new ATOM 0 HA ARG A 115 4.714 -5.627 -8.333 1.00 1.12 H new ATOM 0 HB2 ARG A 115 5.094 -3.136 -8.087 1.00 51.30 H new ATOM 0 HB3 ARG A 115 6.818 -3.450 -8.054 1.00 51.30 H new ATOM 0 HG2 ARG A 115 6.465 -4.815 -10.229 1.00 32.31 H new ATOM 0 HG3 ARG A 115 4.855 -4.127 -10.288 1.00 32.31 H new ATOM 0 HD2 ARG A 115 5.926 -2.597 -11.628 1.00 33.43 H new ATOM 0 HD3 ARG A 115 6.213 -1.819 -10.084 1.00 33.43 H new ATOM 0 HE ARG A 115 8.466 -2.768 -10.039 1.00 1.14 H new ATOM 0 HH11 ARG A 115 6.836 -2.893 -13.186 1.00 4.23 H new ATOM 0 HH12 ARG A 115 8.337 -3.220 -14.058 1.00 4.23 H new ATOM 0 HH21 ARG A 115 10.349 -3.304 -11.193 1.00 43.43 H new ATOM 0 HH22 ARG A 115 10.285 -3.448 -12.953 1.00 43.43 H new ATOM 1861 N ARG A 116 7.859 -6.036 -7.363 1.00 62.13 N ATOM 1862 CA ARG A 116 9.022 -6.910 -7.448 1.00 50.44 C ATOM 1863 C ARG A 116 8.583 -8.366 -7.502 1.00 4.11 C ATOM 1864 O ARG A 116 8.932 -9.092 -8.425 1.00 23.23 O ATOM 1865 CB ARG A 116 9.934 -6.679 -6.237 1.00 42.44 C ATOM 1866 CG ARG A 116 10.757 -5.392 -6.301 1.00 73.43 C ATOM 1867 CD ARG A 116 11.809 -5.449 -7.408 1.00 64.15 C ATOM 1868 NE ARG A 116 12.740 -4.320 -7.303 1.00 73.21 N ATOM 1869 CZ ARG A 116 13.852 -4.176 -8.026 1.00 5.41 C ATOM 1870 NH1 ARG A 116 14.146 -5.040 -8.992 1.00 24.31 N ATOM 1871 NH2 ARG A 116 14.679 -3.167 -7.772 1.00 55.42 N ATOM 0 H ARG A 116 7.966 -5.292 -6.674 1.00 62.13 H new ATOM 0 HA ARG A 116 9.574 -6.678 -8.359 1.00 50.44 H new ATOM 0 HB2 ARG A 116 9.322 -6.660 -5.335 1.00 42.44 H new ATOM 0 HB3 ARG A 116 10.614 -7.526 -6.143 1.00 42.44 H new ATOM 0 HG2 ARG A 116 10.094 -4.544 -6.472 1.00 73.43 H new ATOM 0 HG3 ARG A 116 11.247 -5.225 -5.342 1.00 73.43 H new ATOM 0 HD2 ARG A 116 12.360 -6.387 -7.344 1.00 64.15 H new ATOM 0 HD3 ARG A 116 11.320 -5.433 -8.382 1.00 64.15 H new ATOM 0 HE ARG A 116 12.520 -3.590 -6.626 1.00 73.21 H new ATOM 0 HH11 ARG A 116 13.519 -5.821 -9.186 1.00 24.31 H new ATOM 0 HH12 ARG A 116 14.998 -4.922 -9.540 1.00 24.31 H new ATOM 0 HH21 ARG A 116 14.463 -2.506 -7.026 1.00 55.42 H new ATOM 0 HH22 ARG A 116 15.530 -3.054 -8.323 1.00 55.42 H new ATOM 1885 N SER A 117 7.775 -8.765 -6.526 1.00 71.44 N ATOM 1886 CA SER A 117 7.337 -10.135 -6.361 1.00 44.12 C ATOM 1887 C SER A 117 6.269 -10.572 -7.380 1.00 74.24 C ATOM 1888 O SER A 117 5.981 -11.763 -7.463 1.00 73.23 O ATOM 1889 CB SER A 117 6.819 -10.302 -4.937 1.00 4.14 C ATOM 1890 OG SER A 117 7.945 -10.490 -4.097 1.00 75.22 O ATOM 0 H SER A 117 7.403 -8.131 -5.819 1.00 71.44 H new ATOM 0 HA SER A 117 8.194 -10.783 -6.546 1.00 44.12 H new ATOM 0 HB2 SER A 117 6.252 -9.423 -4.629 1.00 4.14 H new ATOM 0 HB3 SER A 117 6.144 -11.155 -4.871 1.00 4.14 H new ATOM 0 HG SER A 117 7.647 -10.599 -3.170 1.00 75.22 H new ATOM 1896 N GLN A 118 5.695 -9.674 -8.195 1.00 25.54 N ATOM 1897 CA GLN A 118 4.900 -10.077 -9.361 1.00 53.44 C ATOM 1898 C GLN A 118 5.775 -10.695 -10.459 1.00 34.35 C ATOM 1899 O GLN A 118 5.237 -11.157 -11.467 1.00 3.02 O ATOM 1900 CB GLN A 118 4.122 -8.890 -9.955 1.00 50.23 C ATOM 1901 CG GLN A 118 2.994 -8.380 -9.055 1.00 63.30 C ATOM 1902 CD GLN A 118 2.307 -7.177 -9.688 1.00 64.41 C ATOM 1903 OE1 GLN A 118 2.796 -6.056 -9.644 1.00 5.52 O ATOM 1904 NE2 GLN A 118 1.142 -7.369 -10.280 1.00 23.41 N ATOM 0 H GLN A 118 5.768 -8.665 -8.067 1.00 25.54 H new ATOM 0 HA GLN A 118 4.194 -10.826 -9.003 1.00 53.44 H new ATOM 0 HB2 GLN A 118 4.817 -8.073 -10.150 1.00 50.23 H new ATOM 0 HB3 GLN A 118 3.702 -9.187 -10.916 1.00 50.23 H new ATOM 0 HG2 GLN A 118 2.267 -9.175 -8.888 1.00 63.30 H new ATOM 0 HG3 GLN A 118 3.395 -8.105 -8.080 1.00 63.30 H new ATOM 0 HE21 GLN A 118 0.736 -8.304 -10.316 1.00 23.41 H new ATOM 0 HE22 GLN A 118 0.648 -6.582 -10.702 1.00 23.41 H new