USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 853 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 110 THR OG1 : rot -66:sc= 0.807 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0 X(o=0.81,f=0.77) USER MOD Set 2.1: A 48 ASN : amide:sc= -2.79! X(o=-5.1!,f=-5.1) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.29! X(o=-5.1!,f=-4.9) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.2 (180deg=-0.821) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0391 (180deg=-0.331) USER MOD Single : A 5 ASN : amide:sc= -0.202 K(o=-0.2,f=-3!) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.052 (180deg=-0.311) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 154:sc= -0.223 (180deg=-0.892) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.5!) USER MOD Single : A 50 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.42) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0161) USER MOD Single : A 66 SER OG : rot 121:sc= 0.645 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -104:sc= 0.17 USER MOD Single : A 89 MET CE :methyl 152:sc= -3.36! (180deg=-4.47!) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0699 (180deg=-0.37) USER MOD Single : A 95 THR OG1 : rot 157:sc= 0.01 USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.0202 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.5!) USER MOD Single : A 107 TYR OH : rot -130:sc= -0.953 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.238 11.315 20.153 1.00 0.00 N ATOM 2 CA MET A 1 -10.719 11.197 20.152 1.00 0.00 C ATOM 3 C MET A 1 -11.341 12.146 19.134 1.00 0.00 C ATOM 4 O MET A 1 -11.114 13.355 19.180 1.00 0.00 O ATOM 5 CB MET A 1 -11.274 11.502 21.544 1.00 0.00 C ATOM 6 CG MET A 1 -10.733 10.585 22.630 1.00 0.00 C ATOM 7 SD MET A 1 -11.375 10.993 24.265 1.00 0.00 S ATOM 8 CE MET A 1 -10.755 12.661 24.465 1.00 0.00 C ATOM 0 H1 MET A 1 -8.826 10.510 20.667 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.889 11.315 19.173 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.961 12.202 20.619 1.00 0.00 H new ATOM 0 HA MET A 1 -10.975 10.174 19.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.038 12.535 21.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.361 11.420 21.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.989 9.553 22.390 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.645 10.648 22.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.733 12.917 25.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.747 12.726 24.055 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.407 13.357 23.937 1.00 0.00 H new ATOM 18 N ALA A 2 -12.128 11.588 18.216 1.00 0.00 N ATOM 19 CA ALA A 2 -12.789 12.381 17.184 1.00 0.00 C ATOM 20 C ALA A 2 -11.779 13.196 16.381 1.00 0.00 C ATOM 21 O ALA A 2 -12.114 14.245 15.828 1.00 0.00 O ATOM 22 CB ALA A 2 -13.833 13.294 17.810 1.00 0.00 C ATOM 0 H ALA A 2 -12.323 10.588 18.167 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.286 11.696 16.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.319 13.880 17.030 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.579 12.692 18.329 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.350 13.965 18.520 1.00 0.00 H new ATOM 28 N ASP A 3 -10.546 12.705 16.316 1.00 0.00 N ATOM 29 CA ASP A 3 -9.489 13.388 15.577 1.00 0.00 C ATOM 30 C ASP A 3 -9.400 12.864 14.147 1.00 0.00 C ATOM 31 O ASP A 3 -9.764 13.559 13.198 1.00 0.00 O ATOM 32 CB ASP A 3 -8.144 13.210 16.285 1.00 0.00 C ATOM 33 CG ASP A 3 -7.030 13.988 15.614 1.00 0.00 C ATOM 34 OD1 ASP A 3 -6.902 15.199 15.891 1.00 0.00 O ATOM 35 OD2 ASP A 3 -6.286 13.386 14.811 1.00 0.00 O ATOM 0 H ASP A 3 -10.254 11.837 16.766 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.733 14.450 15.541 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.237 13.534 17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.884 12.152 16.304 1.00 0.00 H new ATOM 40 N GLU A 4 -8.916 11.634 14.001 1.00 0.00 N ATOM 41 CA GLU A 4 -8.780 11.018 12.686 1.00 0.00 C ATOM 42 C GLU A 4 -9.931 10.055 12.414 1.00 0.00 C ATOM 43 O GLU A 4 -10.508 10.053 11.328 1.00 0.00 O ATOM 44 CB GLU A 4 -7.445 10.276 12.581 1.00 0.00 C ATOM 45 CG GLU A 4 -7.186 9.676 11.207 1.00 0.00 C ATOM 46 CD GLU A 4 -7.083 10.730 10.121 1.00 0.00 C ATOM 47 OE1 GLU A 4 -5.961 11.215 9.870 1.00 0.00 O ATOM 48 OE2 GLU A 4 -8.125 11.068 9.522 1.00 0.00 O ATOM 0 H GLU A 4 -8.612 11.045 14.776 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.808 11.810 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.636 10.965 12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.422 9.480 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.263 9.097 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.990 8.982 10.960 1.00 0.00 H new ATOM 55 N ASN A 5 -10.260 9.238 13.410 1.00 0.00 N ATOM 56 CA ASN A 5 -11.342 8.269 13.276 1.00 0.00 C ATOM 57 C ASN A 5 -12.649 8.827 13.830 1.00 0.00 C ATOM 58 O ASN A 5 -12.858 8.865 15.043 1.00 0.00 O ATOM 59 CB ASN A 5 -10.984 6.967 13.993 1.00 0.00 C ATOM 60 CG ASN A 5 -9.819 6.248 13.340 1.00 0.00 C ATOM 61 OD1 ASN A 5 -8.931 6.877 12.764 1.00 0.00 O ATOM 62 ND2 ASN A 5 -9.819 4.923 13.424 1.00 0.00 N ATOM 0 H ASN A 5 -9.794 9.228 14.317 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.479 8.064 12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.737 7.184 15.032 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.854 6.310 14.003 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.062 4.385 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.576 4.443 13.911 1.00 0.00 H new ATOM 69 N LYS A 6 -13.524 9.263 12.929 1.00 0.00 N ATOM 70 CA LYS A 6 -14.817 9.817 13.314 1.00 0.00 C ATOM 71 C LYS A 6 -15.941 8.872 12.903 1.00 0.00 C ATOM 72 O LYS A 6 -16.672 8.353 13.745 1.00 0.00 O ATOM 73 CB LYS A 6 -15.017 11.188 12.665 1.00 0.00 C ATOM 74 CG LYS A 6 -16.281 11.901 13.118 1.00 0.00 C ATOM 75 CD LYS A 6 -16.449 13.234 12.404 1.00 0.00 C ATOM 76 CE LYS A 6 -17.669 13.989 12.905 1.00 0.00 C ATOM 77 NZ LYS A 6 -17.570 14.303 14.358 1.00 0.00 N ATOM 0 H LYS A 6 -13.360 9.243 11.923 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.838 9.934 14.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.155 11.816 12.891 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.047 11.066 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.148 11.269 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.243 12.065 14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.557 13.842 12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.541 13.063 11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.780 14.915 12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.564 13.395 12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.267 15.035 14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.761 13.444 14.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.613 14.649 14.574 1.00 0.00 H new ATOM 91 N TRP A 7 -16.067 8.658 11.598 1.00 0.00 N ATOM 92 CA TRP A 7 -17.088 7.764 11.061 1.00 0.00 C ATOM 93 C TRP A 7 -16.538 6.348 10.938 1.00 0.00 C ATOM 94 O TRP A 7 -17.249 5.371 11.174 1.00 0.00 O ATOM 95 CB TRP A 7 -17.584 8.261 9.697 1.00 0.00 C ATOM 96 CG TRP A 7 -16.572 9.072 8.942 1.00 0.00 C ATOM 97 CD1 TRP A 7 -15.303 8.697 8.600 1.00 0.00 C ATOM 98 CD2 TRP A 7 -16.748 10.398 8.432 1.00 0.00 C ATOM 99 NE1 TRP A 7 -14.680 9.712 7.915 1.00 0.00 N ATOM 100 CE2 TRP A 7 -15.548 10.766 7.798 1.00 0.00 C ATOM 101 CE3 TRP A 7 -17.807 11.311 8.451 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -15.377 12.007 7.189 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -17.637 12.542 7.846 1.00 0.00 C ATOM 104 CH2 TRP A 7 -16.430 12.880 7.222 1.00 0.00 C ATOM 0 H TRP A 7 -15.474 9.092 10.891 1.00 0.00 H new ATOM 0 HA TRP A 7 -17.932 7.756 11.750 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -17.872 7.402 9.091 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -18.481 8.863 9.844 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -14.855 7.742 8.834 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -13.727 9.685 7.553 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -18.741 11.059 8.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -14.447 12.271 6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -18.448 13.255 7.855 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -16.328 13.850 6.757 1.00 0.00 H new ATOM 115 N VAL A 8 -15.263 6.251 10.573 1.00 0.00 N ATOM 116 CA VAL A 8 -14.592 4.963 10.425 1.00 0.00 C ATOM 117 C VAL A 8 -15.418 4.000 9.566 1.00 0.00 C ATOM 118 O VAL A 8 -16.030 4.411 8.581 1.00 0.00 O ATOM 119 CB VAL A 8 -14.302 4.326 11.803 1.00 0.00 C ATOM 120 CG1 VAL A 8 -13.104 3.391 11.719 1.00 0.00 C ATOM 121 CG2 VAL A 8 -14.068 5.402 12.853 1.00 0.00 C ATOM 0 H VAL A 8 -14.669 7.056 10.373 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.644 5.148 9.920 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.173 3.742 12.100 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.915 2.952 12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.311 2.598 11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.226 3.952 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.866 4.933 13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.215 6.015 12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.955 6.030 12.935 1.00 0.00 H new ATOM 131 N ARG A 9 -15.434 2.722 9.943 1.00 0.00 N ATOM 132 CA ARG A 9 -16.170 1.710 9.194 1.00 0.00 C ATOM 133 C ARG A 9 -17.646 1.712 9.565 1.00 0.00 C ATOM 134 O ARG A 9 -18.450 1.017 8.944 1.00 0.00 O ATOM 135 CB ARG A 9 -15.560 0.327 9.444 1.00 0.00 C ATOM 136 CG ARG A 9 -16.167 -0.781 8.599 1.00 0.00 C ATOM 137 CD ARG A 9 -15.416 -2.091 8.780 1.00 0.00 C ATOM 138 NE ARG A 9 -15.454 -2.561 10.163 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.584 -3.430 10.670 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.601 -3.907 9.917 1.00 0.00 N ATOM 141 NH2 ARG A 9 -14.693 -3.820 11.933 1.00 0.00 N ATOM 0 H ARG A 9 -14.945 2.365 10.764 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.093 1.949 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.489 0.373 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.681 0.074 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.213 -0.918 8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.148 -0.491 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.849 -2.850 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.379 -1.959 8.471 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.188 -2.203 10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.511 -3.607 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.936 -4.573 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.445 -3.453 12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.025 -4.486 12.320 1.00 0.00 H new ATOM 155 N ARG A 10 -18.002 2.490 10.577 1.00 0.00 N ATOM 156 CA ARG A 10 -19.390 2.581 10.998 1.00 0.00 C ATOM 157 C ARG A 10 -20.248 3.050 9.829 1.00 0.00 C ATOM 158 O ARG A 10 -19.917 4.037 9.171 1.00 0.00 O ATOM 159 CB ARG A 10 -19.529 3.543 12.178 1.00 0.00 C ATOM 160 CG ARG A 10 -20.897 3.497 12.835 1.00 0.00 C ATOM 161 CD ARG A 10 -21.031 4.557 13.917 1.00 0.00 C ATOM 162 NE ARG A 10 -22.369 4.579 14.503 1.00 0.00 N ATOM 163 CZ ARG A 10 -22.883 5.635 15.126 1.00 0.00 C ATOM 164 NH1 ARG A 10 -22.176 6.752 15.240 1.00 0.00 N ATOM 165 NH2 ARG A 10 -24.105 5.576 15.638 1.00 0.00 N ATOM 0 H ARG A 10 -17.354 3.063 11.117 1.00 0.00 H new ATOM 0 HA ARG A 10 -19.729 1.596 11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.769 3.306 12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -19.333 4.559 11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -21.669 3.646 12.080 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -21.061 2.510 13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.296 4.370 14.700 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.805 5.536 13.495 1.00 0.00 H new ATOM 0 HE ARG A 10 -22.941 3.737 14.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -21.235 6.802 14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.573 7.560 15.719 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -24.652 4.719 15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -24.498 6.387 16.116 1.00 0.00 H new ATOM 179 N ASP A 11 -21.337 2.331 9.565 1.00 0.00 N ATOM 180 CA ASP A 11 -22.234 2.671 8.462 1.00 0.00 C ATOM 181 C ASP A 11 -21.532 2.481 7.121 1.00 0.00 C ATOM 182 O ASP A 11 -22.004 2.955 6.088 1.00 0.00 O ATOM 183 CB ASP A 11 -22.719 4.115 8.590 1.00 0.00 C ATOM 184 CG ASP A 11 -23.592 4.328 9.811 1.00 0.00 C ATOM 185 OD1 ASP A 11 -24.753 3.867 9.798 1.00 0.00 O ATOM 186 OD2 ASP A 11 -23.117 4.955 10.781 1.00 0.00 O ATOM 0 H ASP A 11 -21.620 1.510 10.099 1.00 0.00 H new ATOM 0 HA ASP A 11 -23.094 2.003 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.858 4.781 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.279 4.388 7.695 1.00 0.00 H new ATOM 191 N VAL A 12 -20.403 1.780 7.148 1.00 0.00 N ATOM 192 CA VAL A 12 -19.623 1.524 5.943 1.00 0.00 C ATOM 193 C VAL A 12 -19.222 0.053 5.858 1.00 0.00 C ATOM 194 O VAL A 12 -18.967 -0.587 6.878 1.00 0.00 O ATOM 195 CB VAL A 12 -18.351 2.397 5.906 1.00 0.00 C ATOM 196 CG1 VAL A 12 -17.607 2.211 4.593 1.00 0.00 C ATOM 197 CG2 VAL A 12 -18.702 3.861 6.125 1.00 0.00 C ATOM 0 H VAL A 12 -20.006 1.377 7.997 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.253 1.777 5.090 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.693 2.078 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.714 2.836 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.319 1.166 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.254 2.498 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.793 4.461 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.382 4.193 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -19.183 3.978 7.096 1.00 0.00 H new ATOM 207 N SER A 13 -19.167 -0.478 4.640 1.00 0.00 N ATOM 208 CA SER A 13 -18.797 -1.875 4.438 1.00 0.00 C ATOM 209 C SER A 13 -18.350 -2.130 3.001 1.00 0.00 C ATOM 210 O SER A 13 -18.128 -3.275 2.608 1.00 0.00 O ATOM 211 CB SER A 13 -19.972 -2.789 4.786 1.00 0.00 C ATOM 212 OG SER A 13 -21.065 -2.574 3.908 1.00 0.00 O ATOM 0 H SER A 13 -19.373 0.035 3.782 1.00 0.00 H new ATOM 0 HA SER A 13 -17.959 -2.096 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.656 -3.831 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.286 -2.607 5.814 1.00 0.00 H new ATOM 0 HG SER A 13 -21.802 -3.172 4.151 1.00 0.00 H new ATOM 218 N THR A 14 -18.216 -1.060 2.223 1.00 0.00 N ATOM 219 CA THR A 14 -17.795 -1.181 0.830 1.00 0.00 C ATOM 220 C THR A 14 -16.675 -0.194 0.507 1.00 0.00 C ATOM 221 O THR A 14 -16.563 0.290 -0.620 1.00 0.00 O ATOM 222 CB THR A 14 -18.973 -0.943 -0.133 1.00 0.00 C ATOM 223 OG1 THR A 14 -20.174 -1.502 0.414 1.00 0.00 O ATOM 224 CG2 THR A 14 -18.695 -1.572 -1.492 1.00 0.00 C ATOM 0 H THR A 14 -18.392 -0.104 2.531 1.00 0.00 H new ATOM 0 HA THR A 14 -17.427 -2.198 0.695 1.00 0.00 H new ATOM 0 HB THR A 14 -19.096 0.132 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.919 -1.345 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 14 -19.540 -1.392 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.796 -1.130 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.550 -2.646 -1.373 1.00 0.00 H new ATOM 232 N ALA A 15 -15.843 0.092 1.502 1.00 0.00 N ATOM 233 CA ALA A 15 -14.731 1.019 1.327 1.00 0.00 C ATOM 234 C ALA A 15 -13.479 0.295 0.844 1.00 0.00 C ATOM 235 O ALA A 15 -12.445 0.917 0.596 1.00 0.00 O ATOM 236 CB ALA A 15 -14.450 1.758 2.626 1.00 0.00 C ATOM 0 H ALA A 15 -15.917 -0.305 2.439 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.013 1.744 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.618 2.446 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.336 2.318 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.195 1.040 3.405 1.00 0.00 H new ATOM 242 N LEU A 16 -13.580 -1.023 0.714 1.00 0.00 N ATOM 243 CA LEU A 16 -12.456 -1.843 0.270 1.00 0.00 C ATOM 244 C LEU A 16 -12.128 -1.594 -1.198 1.00 0.00 C ATOM 245 O LEU A 16 -11.034 -1.925 -1.659 1.00 0.00 O ATOM 246 CB LEU A 16 -12.765 -3.327 0.476 1.00 0.00 C ATOM 247 CG LEU A 16 -12.983 -3.766 1.926 1.00 0.00 C ATOM 248 CD1 LEU A 16 -14.365 -3.356 2.412 1.00 0.00 C ATOM 249 CD2 LEU A 16 -12.797 -5.269 2.058 1.00 0.00 C ATOM 0 H LEU A 16 -14.431 -1.549 0.910 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.590 -1.562 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.658 -3.576 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.945 -3.911 0.059 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.241 -3.268 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.498 -3.678 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.464 -2.272 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.125 -3.824 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.955 -5.566 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.517 -5.782 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.786 -5.539 1.754 1.00 0.00 H new ATOM 261 N SER A 17 -13.081 -1.022 -1.930 1.00 0.00 N ATOM 262 CA SER A 17 -12.892 -0.739 -3.351 1.00 0.00 C ATOM 263 C SER A 17 -11.547 -0.065 -3.601 1.00 0.00 C ATOM 264 O SER A 17 -10.769 -0.504 -4.449 1.00 0.00 O ATOM 265 CB SER A 17 -14.024 0.149 -3.871 1.00 0.00 C ATOM 266 OG SER A 17 -13.903 0.364 -5.266 1.00 0.00 O ATOM 0 H SER A 17 -13.992 -0.745 -1.563 1.00 0.00 H new ATOM 0 HA SER A 17 -12.906 -1.688 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.985 -0.317 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.009 1.106 -3.350 1.00 0.00 H new ATOM 0 HG SER A 17 -14.639 0.933 -5.574 1.00 0.00 H new ATOM 272 N ARG A 18 -11.278 1.000 -2.850 1.00 0.00 N ATOM 273 CA ARG A 18 -10.027 1.740 -2.977 1.00 0.00 C ATOM 274 C ARG A 18 -9.959 2.850 -1.934 1.00 0.00 C ATOM 275 O ARG A 18 -8.929 3.504 -1.769 1.00 0.00 O ATOM 276 CB ARG A 18 -9.896 2.339 -4.379 1.00 0.00 C ATOM 277 CG ARG A 18 -8.506 2.873 -4.682 1.00 0.00 C ATOM 278 CD ARG A 18 -8.475 3.640 -5.993 1.00 0.00 C ATOM 279 NE ARG A 18 -8.923 2.822 -7.116 1.00 0.00 N ATOM 280 CZ ARG A 18 -9.147 3.302 -8.336 1.00 0.00 C ATOM 281 NH1 ARG A 18 -8.965 4.592 -8.588 1.00 0.00 N ATOM 282 NH2 ARG A 18 -9.553 2.494 -9.305 1.00 0.00 N ATOM 0 H ARG A 18 -11.914 1.371 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.203 1.046 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.153 1.578 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.619 3.147 -4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.181 3.525 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.799 2.044 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.109 4.523 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.461 3.992 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.073 1.826 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.653 5.218 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.137 4.958 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.694 1.502 -9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.724 2.864 -10.240 1.00 0.00 H new ATOM 296 N MET A 19 -11.068 3.053 -1.233 1.00 0.00 N ATOM 297 CA MET A 19 -11.150 4.085 -0.206 1.00 0.00 C ATOM 298 C MET A 19 -10.083 3.865 0.861 1.00 0.00 C ATOM 299 O MET A 19 -9.491 4.819 1.368 1.00 0.00 O ATOM 300 CB MET A 19 -12.541 4.088 0.435 1.00 0.00 C ATOM 301 CG MET A 19 -13.650 3.662 -0.515 1.00 0.00 C ATOM 302 SD MET A 19 -15.278 4.235 0.007 1.00 0.00 S ATOM 303 CE MET A 19 -15.091 6.007 -0.183 1.00 0.00 C ATOM 0 H MET A 19 -11.926 2.515 -1.357 1.00 0.00 H new ATOM 0 HA MET A 19 -10.977 5.053 -0.677 1.00 0.00 H new ATOM 0 HB2 MET A 19 -12.536 3.421 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 19 -12.758 5.089 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 19 -13.436 4.048 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 19 -13.660 2.575 -0.590 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.068 6.460 -0.355 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.652 6.426 0.722 1.00 0.00 H new ATOM 0 HE3 MET A 19 -14.440 6.215 -1.032 1.00 0.00 H new ATOM 313 N GLY A 20 -9.845 2.600 1.194 1.00 0.00 N ATOM 314 CA GLY A 20 -8.848 2.267 2.196 1.00 0.00 C ATOM 315 C GLY A 20 -9.126 2.912 3.537 1.00 0.00 C ATOM 316 O GLY A 20 -10.193 3.490 3.742 1.00 0.00 O ATOM 0 H GLY A 20 -10.326 1.798 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.811 1.185 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.866 2.582 1.843 1.00 0.00 H new ATOM 320 N ASP A 21 -8.158 2.812 4.446 1.00 0.00 N ATOM 321 CA ASP A 21 -8.286 3.382 5.784 1.00 0.00 C ATOM 322 C ASP A 21 -9.453 2.755 6.541 1.00 0.00 C ATOM 323 O ASP A 21 -9.258 1.877 7.382 1.00 0.00 O ATOM 324 CB ASP A 21 -8.464 4.901 5.708 1.00 0.00 C ATOM 325 CG ASP A 21 -7.289 5.590 5.043 1.00 0.00 C ATOM 326 OD1 ASP A 21 -6.297 5.880 5.743 1.00 0.00 O ATOM 327 OD2 ASP A 21 -7.361 5.838 3.821 1.00 0.00 O ATOM 0 H ASP A 21 -7.271 2.338 4.277 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.368 3.161 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.375 5.130 5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.593 5.299 6.714 1.00 0.00 H new ATOM 332 N GLU A 22 -10.664 3.215 6.241 1.00 0.00 N ATOM 333 CA GLU A 22 -11.864 2.698 6.890 1.00 0.00 C ATOM 334 C GLU A 22 -11.956 1.184 6.726 1.00 0.00 C ATOM 335 O GLU A 22 -12.310 0.467 7.663 1.00 0.00 O ATOM 336 CB GLU A 22 -13.114 3.358 6.298 1.00 0.00 C ATOM 337 CG GLU A 22 -12.931 4.830 5.963 1.00 0.00 C ATOM 338 CD GLU A 22 -12.526 5.661 7.165 1.00 0.00 C ATOM 339 OE1 GLU A 22 -11.313 5.737 7.452 1.00 0.00 O ATOM 340 OE2 GLU A 22 -13.422 6.237 7.817 1.00 0.00 O ATOM 0 H GLU A 22 -10.840 3.946 5.552 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.803 2.933 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.402 2.822 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.937 3.256 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.173 4.929 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.861 5.223 5.552 1.00 0.00 H new ATOM 347 N ALA A 23 -11.633 0.708 5.528 1.00 0.00 N ATOM 348 CA ALA A 23 -11.681 -0.719 5.230 1.00 0.00 C ATOM 349 C ALA A 23 -10.283 -1.328 5.158 1.00 0.00 C ATOM 350 O ALA A 23 -10.097 -2.410 4.600 1.00 0.00 O ATOM 351 CB ALA A 23 -12.423 -0.953 3.925 1.00 0.00 C ATOM 0 H ALA A 23 -11.335 1.291 4.746 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.214 -1.212 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.454 -2.021 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.440 -0.571 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.908 -0.435 3.116 1.00 0.00 H new ATOM 357 N PHE A 24 -9.305 -0.633 5.730 1.00 0.00 N ATOM 358 CA PHE A 24 -7.926 -1.105 5.728 1.00 0.00 C ATOM 359 C PHE A 24 -7.793 -2.450 6.442 1.00 0.00 C ATOM 360 O PHE A 24 -7.144 -3.366 5.938 1.00 0.00 O ATOM 361 CB PHE A 24 -7.020 -0.072 6.394 1.00 0.00 C ATOM 362 CG PHE A 24 -5.599 -0.134 5.921 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.807 -1.231 6.214 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.055 0.903 5.182 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.501 -1.292 5.780 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.749 0.847 4.746 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.969 -0.251 5.045 1.00 0.00 C ATOM 0 H PHE A 24 -9.443 0.261 6.202 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.621 -1.243 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.416 0.925 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.043 -0.222 7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.217 -2.048 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.661 1.765 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.893 -2.154 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.336 1.662 4.170 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.945 -0.296 4.705 1.00 0.00 H new ATOM 377 N GLU A 25 -8.403 -2.565 7.619 1.00 0.00 N ATOM 378 CA GLU A 25 -8.332 -3.805 8.397 1.00 0.00 C ATOM 379 C GLU A 25 -8.988 -4.983 7.670 1.00 0.00 C ATOM 380 O GLU A 25 -8.358 -6.024 7.513 1.00 0.00 O ATOM 381 CB GLU A 25 -8.966 -3.652 9.776 1.00 0.00 C ATOM 382 CG GLU A 25 -9.528 -2.266 10.062 1.00 0.00 C ATOM 383 CD GLU A 25 -10.131 -2.156 11.448 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.377 -1.881 12.404 1.00 0.00 O ATOM 385 OE2 GLU A 25 -11.359 -2.346 11.576 1.00 0.00 O ATOM 0 H GLU A 25 -8.949 -1.822 8.055 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.270 -4.016 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.768 -4.383 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.220 -3.891 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.734 -1.527 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.288 -2.026 9.319 1.00 0.00 H new ATOM 392 N PRO A 26 -10.270 -4.859 7.238 1.00 0.00 N ATOM 393 CA PRO A 26 -10.957 -5.943 6.529 1.00 0.00 C ATOM 394 C PRO A 26 -10.071 -6.531 5.442 1.00 0.00 C ATOM 395 O PRO A 26 -10.235 -7.677 5.023 1.00 0.00 O ATOM 396 CB PRO A 26 -12.169 -5.262 5.900 1.00 0.00 C ATOM 397 CG PRO A 26 -12.427 -4.045 6.722 1.00 0.00 C ATOM 398 CD PRO A 26 -11.133 -3.673 7.403 1.00 0.00 C ATOM 0 HA PRO A 26 -11.222 -6.766 7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.973 -4.997 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.034 -5.925 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.779 -3.226 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.206 -4.239 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.685 -2.790 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.292 -3.442 8.456 1.00 0.00 H new ATOM 406 N LEU A 27 -9.132 -5.710 5.001 1.00 0.00 N ATOM 407 CA LEU A 27 -8.180 -6.076 3.974 1.00 0.00 C ATOM 408 C LEU A 27 -7.004 -6.830 4.592 1.00 0.00 C ATOM 409 O LEU A 27 -6.585 -7.873 4.091 1.00 0.00 O ATOM 410 CB LEU A 27 -7.720 -4.790 3.290 1.00 0.00 C ATOM 411 CG LEU A 27 -6.241 -4.707 2.919 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.901 -5.706 1.823 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.896 -3.295 2.480 1.00 0.00 C ATOM 0 H LEU A 27 -9.011 -4.760 5.353 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.636 -6.739 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.308 -4.658 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.955 -3.952 3.946 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.647 -4.958 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.842 -5.628 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.119 -6.716 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.498 -5.491 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.839 -3.244 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.499 -3.026 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.101 -2.600 3.295 1.00 0.00 H new ATOM 425 N LEU A 28 -6.484 -6.285 5.686 1.00 0.00 N ATOM 426 CA LEU A 28 -5.371 -6.892 6.403 1.00 0.00 C ATOM 427 C LEU A 28 -5.818 -8.187 7.081 1.00 0.00 C ATOM 428 O LEU A 28 -4.998 -9.024 7.460 1.00 0.00 O ATOM 429 CB LEU A 28 -4.829 -5.899 7.440 1.00 0.00 C ATOM 430 CG LEU A 28 -3.971 -6.499 8.558 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.713 -7.135 7.991 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.614 -5.431 9.582 1.00 0.00 C ATOM 0 H LEU A 28 -6.820 -5.415 6.098 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.578 -7.136 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.237 -5.146 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.674 -5.382 7.895 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.550 -7.277 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.119 -7.554 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.988 -7.928 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.128 -6.379 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.004 -5.872 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.055 -4.632 9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.527 -5.023 10.015 1.00 0.00 H new ATOM 444 N GLU A 29 -7.129 -8.347 7.210 1.00 0.00 N ATOM 445 CA GLU A 29 -7.704 -9.526 7.842 1.00 0.00 C ATOM 446 C GLU A 29 -7.635 -10.730 6.906 1.00 0.00 C ATOM 447 O GLU A 29 -7.417 -11.860 7.344 1.00 0.00 O ATOM 448 CB GLU A 29 -9.157 -9.252 8.234 1.00 0.00 C ATOM 449 CG GLU A 29 -9.814 -10.399 8.987 1.00 0.00 C ATOM 450 CD GLU A 29 -11.255 -10.105 9.352 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.480 -9.350 10.321 1.00 0.00 O ATOM 452 OE2 GLU A 29 -12.160 -10.628 8.669 1.00 0.00 O ATOM 0 H GLU A 29 -7.818 -7.670 6.883 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.126 -9.753 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.194 -8.355 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.734 -9.043 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.774 -11.300 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.247 -10.605 9.895 1.00 0.00 H new ATOM 459 N SER A 30 -7.826 -10.473 5.616 1.00 0.00 N ATOM 460 CA SER A 30 -7.799 -11.524 4.603 1.00 0.00 C ATOM 461 C SER A 30 -6.407 -12.140 4.460 1.00 0.00 C ATOM 462 O SER A 30 -6.265 -13.251 3.951 1.00 0.00 O ATOM 463 CB SER A 30 -8.257 -10.964 3.257 1.00 0.00 C ATOM 464 OG SER A 30 -9.600 -10.515 3.321 1.00 0.00 O ATOM 0 H SER A 30 -8.002 -9.539 5.245 1.00 0.00 H new ATOM 0 HA SER A 30 -8.481 -12.311 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.608 -10.139 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.163 -11.732 2.489 1.00 0.00 H new ATOM 0 HG SER A 30 -9.868 -10.160 2.448 1.00 0.00 H new ATOM 470 N LEU A 31 -5.383 -11.417 4.908 1.00 0.00 N ATOM 471 CA LEU A 31 -4.007 -11.902 4.814 1.00 0.00 C ATOM 472 C LEU A 31 -3.785 -13.133 5.691 1.00 0.00 C ATOM 473 O LEU A 31 -2.742 -13.782 5.607 1.00 0.00 O ATOM 474 CB LEU A 31 -3.020 -10.802 5.213 1.00 0.00 C ATOM 475 CG LEU A 31 -3.000 -9.573 4.300 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.006 -8.545 4.816 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.652 -9.974 2.874 1.00 0.00 C ATOM 0 H LEU A 31 -5.479 -10.497 5.338 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.833 -12.184 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.255 -10.477 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.018 -11.229 5.240 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.995 -9.127 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.004 -7.678 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.292 -8.235 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.009 -8.984 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.642 -9.088 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.668 -10.443 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.396 -10.679 2.502 1.00 0.00 H new ATOM 489 N SER A 32 -4.767 -13.449 6.528 1.00 0.00 N ATOM 490 CA SER A 32 -4.665 -14.599 7.421 1.00 0.00 C ATOM 491 C SER A 32 -5.458 -15.785 6.881 1.00 0.00 C ATOM 492 O SER A 32 -5.669 -16.773 7.584 1.00 0.00 O ATOM 493 CB SER A 32 -5.167 -14.229 8.818 1.00 0.00 C ATOM 494 OG SER A 32 -4.437 -13.139 9.351 1.00 0.00 O ATOM 0 H SER A 32 -5.640 -12.928 6.607 1.00 0.00 H new ATOM 0 HA SER A 32 -3.616 -14.887 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.226 -13.973 8.771 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.076 -15.090 9.480 1.00 0.00 H new ATOM 0 HG SER A 32 -4.779 -12.922 10.243 1.00 0.00 H new ATOM 500 N ASN A 33 -5.890 -15.683 5.628 1.00 0.00 N ATOM 501 CA ASN A 33 -6.660 -16.749 4.999 1.00 0.00 C ATOM 502 C ASN A 33 -5.779 -17.959 4.703 1.00 0.00 C ATOM 503 O ASN A 33 -4.587 -17.818 4.425 1.00 0.00 O ATOM 504 CB ASN A 33 -7.307 -16.246 3.706 1.00 0.00 C ATOM 505 CG ASN A 33 -8.375 -17.190 3.187 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.578 -17.311 1.979 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.070 -17.859 4.100 1.00 0.00 N ATOM 0 H ASN A 33 -5.720 -14.875 5.030 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.442 -17.054 5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.748 -15.265 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.538 -16.118 2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.805 -18.504 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.868 -17.728 5.091 1.00 0.00 H new ATOM 514 N GLU A 34 -6.374 -19.147 4.766 1.00 0.00 N ATOM 515 CA GLU A 34 -5.652 -20.382 4.507 1.00 0.00 C ATOM 516 C GLU A 34 -5.190 -20.450 3.054 1.00 0.00 C ATOM 517 O GLU A 34 -4.297 -21.226 2.713 1.00 0.00 O ATOM 518 CB GLU A 34 -6.545 -21.579 4.834 1.00 0.00 C ATOM 519 CG GLU A 34 -5.806 -22.900 4.820 1.00 0.00 C ATOM 520 CD GLU A 34 -6.673 -24.061 5.268 1.00 0.00 C ATOM 521 OE1 GLU A 34 -6.726 -24.324 6.488 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.297 -24.705 4.401 1.00 0.00 O ATOM 0 H GLU A 34 -7.359 -19.277 4.996 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.768 -20.407 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.993 -21.432 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.363 -21.621 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.437 -23.095 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.934 -22.831 5.471 1.00 0.00 H new ATOM 529 N ASP A 35 -5.804 -19.633 2.204 1.00 0.00 N ATOM 530 CA ASP A 35 -5.454 -19.598 0.788 1.00 0.00 C ATOM 531 C ASP A 35 -4.297 -18.636 0.540 1.00 0.00 C ATOM 532 O ASP A 35 -3.995 -17.786 1.377 1.00 0.00 O ATOM 533 CB ASP A 35 -6.665 -19.182 -0.049 1.00 0.00 C ATOM 534 CG ASP A 35 -7.840 -20.126 0.121 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.667 -19.886 1.025 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.933 -21.103 -0.651 1.00 0.00 O ATOM 0 H ASP A 35 -6.546 -18.986 2.471 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.143 -20.600 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.969 -18.174 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.381 -19.146 -1.101 1.00 0.00 H new ATOM 541 N TRP A 36 -3.652 -18.775 -0.615 1.00 0.00 N ATOM 542 CA TRP A 36 -2.527 -17.916 -0.971 1.00 0.00 C ATOM 543 C TRP A 36 -2.955 -16.852 -1.976 1.00 0.00 C ATOM 544 O TRP A 36 -2.530 -15.700 -1.894 1.00 0.00 O ATOM 545 CB TRP A 36 -1.378 -18.751 -1.544 1.00 0.00 C ATOM 546 CG TRP A 36 -0.923 -19.852 -0.630 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.060 -19.904 0.730 1.00 0.00 C ATOM 548 CD2 TRP A 36 -0.250 -21.059 -1.010 1.00 0.00 C ATOM 549 NE1 TRP A 36 -0.519 -21.071 1.214 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.016 -21.794 0.168 1.00 0.00 C ATOM 551 CE3 TRP A 36 0.174 -21.591 -2.231 1.00 0.00 C ATOM 552 CZ2 TRP A 36 0.623 -23.029 0.160 1.00 0.00 C ATOM 553 CZ3 TRP A 36 0.810 -22.819 -2.236 1.00 0.00 C ATOM 554 CH2 TRP A 36 1.028 -23.525 -1.047 1.00 0.00 C ATOM 0 H TRP A 36 -3.889 -19.474 -1.320 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.182 -17.416 -0.066 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.693 -19.185 -2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.534 -18.095 -1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.525 -19.140 1.335 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.496 -21.352 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.008 -21.053 -3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.793 -23.577 1.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.144 -23.240 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.527 -24.482 -1.085 1.00 0.00 H new ATOM 565 N ARG A 37 -3.798 -17.246 -2.925 1.00 0.00 N ATOM 566 CA ARG A 37 -4.292 -16.333 -3.944 1.00 0.00 C ATOM 567 C ARG A 37 -5.022 -15.154 -3.310 1.00 0.00 C ATOM 568 O ARG A 37 -4.925 -14.022 -3.784 1.00 0.00 O ATOM 569 CB ARG A 37 -5.224 -17.075 -4.901 1.00 0.00 C ATOM 570 CG ARG A 37 -5.811 -16.191 -5.986 1.00 0.00 C ATOM 571 CD ARG A 37 -6.779 -16.960 -6.869 1.00 0.00 C ATOM 572 NE ARG A 37 -7.461 -16.091 -7.825 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.524 -16.463 -8.531 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.022 -17.686 -8.393 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.092 -15.614 -9.377 1.00 0.00 N ATOM 0 H ARG A 37 -4.154 -18.198 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.439 -15.946 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.675 -17.893 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.037 -17.522 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.327 -15.346 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.007 -15.781 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.238 -17.737 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.518 -17.462 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.101 -15.146 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.589 -18.343 -7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.838 -17.969 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.713 -14.673 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.908 -15.902 -9.918 1.00 0.00 H new ATOM 589 N ILE A 38 -5.757 -15.427 -2.234 1.00 0.00 N ATOM 590 CA ILE A 38 -6.500 -14.386 -1.534 1.00 0.00 C ATOM 591 C ILE A 38 -5.554 -13.325 -0.985 1.00 0.00 C ATOM 592 O ILE A 38 -5.836 -12.130 -1.059 1.00 0.00 O ATOM 593 CB ILE A 38 -7.337 -14.971 -0.377 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.334 -16.004 -0.909 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.062 -13.860 0.375 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.319 -15.445 -1.916 1.00 0.00 C ATOM 0 H ILE A 38 -5.853 -16.359 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.176 -13.930 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.663 -15.470 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.782 -16.823 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.887 -16.426 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.647 -14.292 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.332 -13.162 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.726 -13.331 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.991 -16.237 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.899 -14.646 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.776 -15.049 -2.774 1.00 0.00 H new ATOM 608 N ARG A 39 -4.429 -13.773 -0.435 1.00 0.00 N ATOM 609 CA ARG A 39 -3.435 -12.859 0.115 1.00 0.00 C ATOM 610 C ARG A 39 -2.880 -11.958 -0.979 1.00 0.00 C ATOM 611 O ARG A 39 -2.393 -10.860 -0.708 1.00 0.00 O ATOM 612 CB ARG A 39 -2.294 -13.637 0.769 1.00 0.00 C ATOM 613 CG ARG A 39 -2.731 -14.487 1.952 1.00 0.00 C ATOM 614 CD ARG A 39 -1.542 -15.169 2.610 1.00 0.00 C ATOM 615 NE ARG A 39 -1.959 -16.156 3.603 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.317 -17.301 3.818 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.235 -17.603 3.114 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.759 -18.147 4.739 1.00 0.00 N ATOM 0 H ARG A 39 -4.184 -14.760 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.921 -12.243 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.831 -14.281 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.530 -12.934 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.244 -13.862 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.446 -15.239 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.935 -15.656 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.912 -14.419 3.087 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.788 -15.956 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.108 -16.956 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.254 -18.482 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.592 -17.920 5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.266 -19.025 4.903 1.00 0.00 H new ATOM 632 N GLY A 40 -2.956 -12.435 -2.217 1.00 0.00 N ATOM 633 CA GLY A 40 -2.463 -11.666 -3.341 1.00 0.00 C ATOM 634 C GLY A 40 -3.247 -10.387 -3.547 1.00 0.00 C ATOM 635 O GLY A 40 -2.705 -9.293 -3.405 1.00 0.00 O ATOM 0 H GLY A 40 -3.352 -13.343 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.412 -11.424 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.516 -12.272 -4.245 1.00 0.00 H new ATOM 639 N ALA A 41 -4.527 -10.528 -3.876 1.00 0.00 N ATOM 640 CA ALA A 41 -5.395 -9.377 -4.099 1.00 0.00 C ATOM 641 C ALA A 41 -5.324 -8.406 -2.927 1.00 0.00 C ATOM 642 O ALA A 41 -5.427 -7.193 -3.107 1.00 0.00 O ATOM 643 CB ALA A 41 -6.830 -9.834 -4.323 1.00 0.00 C ATOM 0 H ALA A 41 -4.987 -11.431 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.048 -8.856 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.467 -8.965 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.872 -10.486 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.180 -10.379 -3.446 1.00 0.00 H new ATOM 649 N ALA A 42 -5.148 -8.948 -1.727 1.00 0.00 N ATOM 650 CA ALA A 42 -5.056 -8.128 -0.525 1.00 0.00 C ATOM 651 C ALA A 42 -3.793 -7.274 -0.554 1.00 0.00 C ATOM 652 O ALA A 42 -3.856 -6.052 -0.434 1.00 0.00 O ATOM 653 CB ALA A 42 -5.079 -9.008 0.715 1.00 0.00 C ATOM 0 H ALA A 42 -5.066 -9.951 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.917 -7.461 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.010 -8.384 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.009 -9.575 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.235 -9.697 0.688 1.00 0.00 H new ATOM 659 N ALA A 43 -2.648 -7.931 -0.714 1.00 0.00 N ATOM 660 CA ALA A 43 -1.364 -7.240 -0.772 1.00 0.00 C ATOM 661 C ALA A 43 -1.309 -6.302 -1.974 1.00 0.00 C ATOM 662 O ALA A 43 -0.576 -5.313 -1.975 1.00 0.00 O ATOM 663 CB ALA A 43 -0.235 -8.253 -0.850 1.00 0.00 C ATOM 0 H ALA A 43 -2.583 -8.945 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.250 -6.644 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.721 -7.730 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.259 -8.893 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.355 -8.864 -1.745 1.00 0.00 H new ATOM 669 N TRP A 44 -2.091 -6.631 -2.998 1.00 0.00 N ATOM 670 CA TRP A 44 -2.141 -5.841 -4.224 1.00 0.00 C ATOM 671 C TRP A 44 -2.831 -4.493 -4.013 1.00 0.00 C ATOM 672 O TRP A 44 -2.477 -3.505 -4.656 1.00 0.00 O ATOM 673 CB TRP A 44 -2.852 -6.633 -5.327 1.00 0.00 C ATOM 674 CG TRP A 44 -1.921 -7.492 -6.130 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.021 -8.393 -5.646 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.798 -7.530 -7.557 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.339 -8.985 -6.680 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.798 -8.474 -7.864 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.434 -6.860 -8.607 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.419 -8.762 -9.172 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.057 -7.148 -9.907 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.058 -8.091 -10.179 1.00 0.00 C ATOM 0 H TRP A 44 -2.704 -7.447 -3.002 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.114 -5.635 -4.525 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.619 -7.262 -4.877 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.361 -5.938 -5.994 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.866 -8.610 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.391 -9.691 -6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.205 -6.131 -8.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.351 -9.489 -9.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.541 -6.637 -10.726 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.786 -8.293 -11.205 1.00 0.00 H new ATOM 693 N ILE A 45 -3.815 -4.454 -3.118 1.00 0.00 N ATOM 694 CA ILE A 45 -4.551 -3.221 -2.854 1.00 0.00 C ATOM 695 C ILE A 45 -4.040 -2.526 -1.596 1.00 0.00 C ATOM 696 O ILE A 45 -4.207 -1.318 -1.428 1.00 0.00 O ATOM 697 CB ILE A 45 -6.063 -3.490 -2.701 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.574 -4.324 -3.880 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.829 -2.177 -2.602 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.018 -4.760 -3.737 1.00 0.00 C ATOM 0 H ILE A 45 -4.120 -5.256 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.388 -2.570 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.227 -4.052 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.468 -3.744 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.946 -5.208 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.894 -2.384 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.479 -1.616 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.663 -1.590 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.309 -5.346 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.127 -5.367 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.658 -3.881 -3.661 1.00 0.00 H new ATOM 712 N ILE A 46 -3.413 -3.300 -0.722 1.00 0.00 N ATOM 713 CA ILE A 46 -2.894 -2.776 0.534 1.00 0.00 C ATOM 714 C ILE A 46 -1.838 -1.691 0.315 1.00 0.00 C ATOM 715 O ILE A 46 -1.791 -0.705 1.051 1.00 0.00 O ATOM 716 CB ILE A 46 -2.320 -3.913 1.412 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.468 -3.557 2.888 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.861 -4.192 1.072 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.473 -4.760 3.805 1.00 0.00 C ATOM 0 H ILE A 46 -3.251 -4.297 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.734 -2.317 1.056 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.886 -4.822 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.652 -2.894 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.395 -3.001 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.487 -4.996 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.781 -4.488 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.270 -3.292 1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.582 -4.430 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.305 -5.413 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.536 -5.305 3.695 1.00 0.00 H new ATOM 731 N GLY A 47 -1.004 -1.866 -0.706 1.00 0.00 N ATOM 732 CA GLY A 47 0.043 -0.897 -0.982 1.00 0.00 C ATOM 733 C GLY A 47 -0.464 0.347 -1.684 1.00 0.00 C ATOM 734 O GLY A 47 0.234 1.359 -1.743 1.00 0.00 O ATOM 0 H GLY A 47 -1.034 -2.660 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.519 -0.609 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.810 -1.366 -1.598 1.00 0.00 H new ATOM 738 N ASN A 48 -1.677 0.278 -2.220 1.00 0.00 N ATOM 739 CA ASN A 48 -2.262 1.412 -2.927 1.00 0.00 C ATOM 740 C ASN A 48 -2.636 2.546 -1.973 1.00 0.00 C ATOM 741 O ASN A 48 -2.882 3.670 -2.409 1.00 0.00 O ATOM 742 CB ASN A 48 -3.498 0.973 -3.716 1.00 0.00 C ATOM 743 CG ASN A 48 -3.197 -0.157 -4.678 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.047 -0.372 -5.060 1.00 0.00 O ATOM 745 ND2 ASN A 48 -4.234 -0.879 -5.084 1.00 0.00 N ATOM 0 H ASN A 48 -2.273 -0.548 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.505 1.786 -3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.276 0.657 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.892 1.824 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.095 -1.648 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.170 -0.665 -4.741 1.00 0.00 H new ATOM 752 N PHE A 49 -2.676 2.255 -0.674 1.00 0.00 N ATOM 753 CA PHE A 49 -3.037 3.268 0.315 1.00 0.00 C ATOM 754 C PHE A 49 -1.804 3.965 0.892 1.00 0.00 C ATOM 755 O PHE A 49 -1.926 4.972 1.591 1.00 0.00 O ATOM 756 CB PHE A 49 -3.861 2.635 1.439 1.00 0.00 C ATOM 757 CG PHE A 49 -5.032 1.823 0.949 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.760 2.221 -0.164 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.403 0.659 1.603 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.832 1.473 -0.611 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.474 -0.091 1.160 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.190 0.315 0.052 1.00 0.00 C ATOM 0 H PHE A 49 -2.465 1.336 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.636 4.025 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.212 1.996 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.227 3.423 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.485 3.126 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.847 0.334 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.390 1.793 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.752 -0.996 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.028 -0.271 -0.296 1.00 0.00 H new ATOM 772 N GLN A 50 -0.622 3.429 0.594 1.00 0.00 N ATOM 773 CA GLN A 50 0.631 4.003 1.087 1.00 0.00 C ATOM 774 C GLN A 50 0.582 4.236 2.594 1.00 0.00 C ATOM 775 O GLN A 50 0.694 5.370 3.061 1.00 0.00 O ATOM 776 CB GLN A 50 0.941 5.320 0.372 1.00 0.00 C ATOM 777 CG GLN A 50 1.449 5.137 -1.047 1.00 0.00 C ATOM 778 CD GLN A 50 0.329 5.037 -2.062 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.156 3.948 -2.364 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.087 6.179 -2.599 1.00 0.00 N ATOM 0 H GLN A 50 -0.504 2.598 0.014 1.00 0.00 H new ATOM 0 HA GLN A 50 1.423 3.285 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.040 5.933 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.686 5.869 0.948 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.096 5.975 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.060 4.235 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.343 7.061 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.837 6.174 -3.291 1.00 0.00 H new ATOM 789 N ASP A 51 0.412 3.159 3.351 1.00 0.00 N ATOM 790 CA ASP A 51 0.348 3.254 4.806 1.00 0.00 C ATOM 791 C ASP A 51 1.329 2.288 5.465 1.00 0.00 C ATOM 792 O ASP A 51 1.794 1.337 4.838 1.00 0.00 O ATOM 793 CB ASP A 51 -1.073 2.972 5.293 1.00 0.00 C ATOM 794 CG ASP A 51 -1.236 3.222 6.780 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.108 4.391 7.202 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.488 2.250 7.521 1.00 0.00 O ATOM 0 H ASP A 51 0.316 2.212 2.984 1.00 0.00 H new ATOM 0 HA ASP A 51 0.628 4.269 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.774 3.600 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.331 1.937 5.071 1.00 0.00 H new ATOM 801 N GLU A 52 1.635 2.540 6.734 1.00 0.00 N ATOM 802 CA GLU A 52 2.554 1.693 7.487 1.00 0.00 C ATOM 803 C GLU A 52 1.967 0.299 7.681 1.00 0.00 C ATOM 804 O GLU A 52 2.686 -0.700 7.658 1.00 0.00 O ATOM 805 CB GLU A 52 2.857 2.320 8.851 1.00 0.00 C ATOM 806 CG GLU A 52 1.619 2.535 9.709 1.00 0.00 C ATOM 807 CD GLU A 52 1.945 3.116 11.071 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.010 4.359 11.184 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.134 2.331 12.023 1.00 0.00 O ATOM 0 H GLU A 52 1.259 3.326 7.264 1.00 0.00 H new ATOM 0 HA GLU A 52 3.480 1.607 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.556 1.679 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.355 3.278 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.933 3.203 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.102 1.584 9.838 1.00 0.00 H new ATOM 816 N ARG A 53 0.653 0.246 7.871 1.00 0.00 N ATOM 817 CA ARG A 53 -0.049 -1.016 8.072 1.00 0.00 C ATOM 818 C ARG A 53 0.013 -1.884 6.817 1.00 0.00 C ATOM 819 O ARG A 53 -0.372 -3.053 6.839 1.00 0.00 O ATOM 820 CB ARG A 53 -1.505 -0.754 8.471 1.00 0.00 C ATOM 821 CG ARG A 53 -2.263 -2.004 8.889 1.00 0.00 C ATOM 822 CD ARG A 53 -3.374 -1.680 9.874 1.00 0.00 C ATOM 823 NE ARG A 53 -2.854 -1.104 11.112 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.578 -0.947 12.216 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.850 -1.325 12.240 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.031 -0.413 13.299 1.00 0.00 N ATOM 0 H ARG A 53 0.050 1.068 7.890 1.00 0.00 H new ATOM 0 HA ARG A 53 0.445 -1.556 8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.523 -0.038 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.024 -0.290 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.686 -2.486 8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.572 -2.716 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.074 -0.982 9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.933 -2.588 10.103 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.879 -0.805 11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.275 -1.738 11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.402 -1.203 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.053 -0.122 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.588 -0.293 14.145 1.00 0.00 H new ATOM 840 N ALA A 54 0.504 -1.306 5.724 1.00 0.00 N ATOM 841 CA ALA A 54 0.602 -2.024 4.460 1.00 0.00 C ATOM 842 C ALA A 54 2.031 -2.461 4.196 1.00 0.00 C ATOM 843 O ALA A 54 2.286 -3.293 3.331 1.00 0.00 O ATOM 844 CB ALA A 54 0.110 -1.152 3.315 1.00 0.00 C ATOM 0 H ALA A 54 0.839 -0.343 5.690 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.027 -2.912 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.190 -1.703 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.931 -0.878 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.718 -0.249 3.258 1.00 0.00 H new ATOM 850 N VAL A 55 2.957 -1.901 4.960 1.00 0.00 N ATOM 851 CA VAL A 55 4.372 -2.205 4.804 1.00 0.00 C ATOM 852 C VAL A 55 4.726 -3.607 5.301 1.00 0.00 C ATOM 853 O VAL A 55 5.544 -4.294 4.690 1.00 0.00 O ATOM 854 CB VAL A 55 5.236 -1.171 5.547 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.709 -1.425 5.294 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.854 0.239 5.126 1.00 0.00 C ATOM 0 H VAL A 55 2.752 -1.229 5.699 1.00 0.00 H new ATOM 0 HA VAL A 55 4.581 -2.163 3.735 1.00 0.00 H new ATOM 0 HB VAL A 55 5.053 -1.272 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.303 -0.683 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.972 -2.422 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.913 -1.352 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.474 0.959 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.009 0.353 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.805 0.418 5.362 1.00 0.00 H new ATOM 866 N GLU A 56 4.117 -4.029 6.408 1.00 0.00 N ATOM 867 CA GLU A 56 4.399 -5.352 6.966 1.00 0.00 C ATOM 868 C GLU A 56 4.131 -6.464 5.946 1.00 0.00 C ATOM 869 O GLU A 56 4.990 -7.317 5.734 1.00 0.00 O ATOM 870 CB GLU A 56 3.592 -5.600 8.242 1.00 0.00 C ATOM 871 CG GLU A 56 3.793 -6.995 8.812 1.00 0.00 C ATOM 872 CD GLU A 56 3.276 -7.130 10.231 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.991 -6.711 11.166 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.156 -7.653 10.407 1.00 0.00 O ATOM 0 H GLU A 56 3.433 -3.482 6.931 1.00 0.00 H new ATOM 0 HA GLU A 56 5.459 -5.371 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.875 -4.863 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.533 -5.449 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.286 -7.719 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.855 -7.241 8.792 1.00 0.00 H new ATOM 881 N PRO A 57 2.935 -6.490 5.314 1.00 0.00 N ATOM 882 CA PRO A 57 2.601 -7.507 4.314 1.00 0.00 C ATOM 883 C PRO A 57 3.762 -7.787 3.370 1.00 0.00 C ATOM 884 O PRO A 57 4.157 -8.934 3.177 1.00 0.00 O ATOM 885 CB PRO A 57 1.436 -6.872 3.560 1.00 0.00 C ATOM 886 CG PRO A 57 0.748 -6.031 4.578 1.00 0.00 C ATOM 887 CD PRO A 57 1.817 -5.547 5.526 1.00 0.00 C ATOM 0 HA PRO A 57 2.364 -8.472 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.787 -6.272 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.767 -7.630 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.238 -5.191 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.010 -6.607 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.112 -4.521 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.471 -5.563 6.560 1.00 0.00 H new ATOM 895 N LEU A 58 4.311 -6.726 2.790 1.00 0.00 N ATOM 896 CA LEU A 58 5.428 -6.848 1.866 1.00 0.00 C ATOM 897 C LEU A 58 6.579 -7.651 2.465 1.00 0.00 C ATOM 898 O LEU A 58 7.230 -8.425 1.767 1.00 0.00 O ATOM 899 CB LEU A 58 5.929 -5.462 1.456 1.00 0.00 C ATOM 900 CG LEU A 58 5.038 -4.719 0.459 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.741 -4.275 1.111 1.00 0.00 C ATOM 902 CD2 LEU A 58 5.777 -3.527 -0.125 1.00 0.00 C ATOM 0 H LEU A 58 3.998 -5.768 2.946 1.00 0.00 H new ATOM 0 HA LEU A 58 5.065 -7.384 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.033 -4.851 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.924 -5.566 1.023 1.00 0.00 H new ATOM 0 HG LEU A 58 4.789 -5.406 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.127 -3.750 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.201 -5.148 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.962 -3.608 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.130 -3.009 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.058 -2.844 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.674 -3.871 -0.639 1.00 0.00 H new ATOM 914 N ILE A 59 6.823 -7.473 3.757 1.00 0.00 N ATOM 915 CA ILE A 59 7.915 -8.172 4.428 1.00 0.00 C ATOM 916 C ILE A 59 7.805 -9.691 4.284 1.00 0.00 C ATOM 917 O ILE A 59 8.687 -10.334 3.715 1.00 0.00 O ATOM 918 CB ILE A 59 7.967 -7.813 5.927 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.081 -6.295 6.111 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.130 -8.526 6.607 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.336 -5.695 5.512 1.00 0.00 C ATOM 0 H ILE A 59 6.283 -6.853 4.361 1.00 0.00 H new ATOM 0 HA ILE A 59 8.833 -7.844 3.940 1.00 0.00 H new ATOM 0 HB ILE A 59 7.041 -8.147 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.211 -5.818 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.053 -6.065 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.151 -8.261 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.005 -9.604 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.066 -8.224 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.342 -4.619 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.213 -6.142 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.357 -5.891 4.440 1.00 0.00 H new ATOM 933 N LYS A 60 6.721 -10.255 4.801 1.00 0.00 N ATOM 934 CA LYS A 60 6.502 -11.700 4.754 1.00 0.00 C ATOM 935 C LYS A 60 6.153 -12.196 3.352 1.00 0.00 C ATOM 936 O LYS A 60 6.127 -13.401 3.105 1.00 0.00 O ATOM 937 CB LYS A 60 5.393 -12.094 5.732 1.00 0.00 C ATOM 938 CG LYS A 60 5.572 -11.507 7.125 1.00 0.00 C ATOM 939 CD LYS A 60 6.862 -11.982 7.775 1.00 0.00 C ATOM 940 CE LYS A 60 7.105 -11.285 9.103 1.00 0.00 C ATOM 941 NZ LYS A 60 6.094 -11.671 10.126 1.00 0.00 N ATOM 0 H LYS A 60 5.975 -9.733 5.260 1.00 0.00 H new ATOM 0 HA LYS A 60 7.440 -12.174 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.433 -11.769 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.355 -13.181 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.575 -10.419 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.725 -11.789 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.817 -13.060 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.700 -11.792 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.102 -11.534 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.079 -10.205 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.343 -11.241 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.155 -11.336 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.077 -12.706 10.224 1.00 0.00 H new ATOM 955 N LEU A 61 5.887 -11.270 2.441 1.00 0.00 N ATOM 956 CA LEU A 61 5.505 -11.627 1.075 1.00 0.00 C ATOM 957 C LEU A 61 6.707 -11.773 0.145 1.00 0.00 C ATOM 958 O LEU A 61 6.824 -12.765 -0.575 1.00 0.00 O ATOM 959 CB LEU A 61 4.545 -10.575 0.524 1.00 0.00 C ATOM 960 CG LEU A 61 3.059 -10.815 0.814 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.845 -11.450 2.183 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.291 -9.510 0.714 1.00 0.00 C ATOM 0 H LEU A 61 5.928 -10.267 2.619 1.00 0.00 H new ATOM 0 HA LEU A 61 5.017 -12.601 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.824 -9.604 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.681 -10.516 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 61 2.683 -11.513 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.779 -11.604 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.361 -12.409 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.242 -10.792 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.236 -9.692 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.686 -8.799 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.398 -9.101 -0.291 1.00 0.00 H new ATOM 974 N LEU A 62 7.590 -10.783 0.156 1.00 0.00 N ATOM 975 CA LEU A 62 8.774 -10.800 -0.695 1.00 0.00 C ATOM 976 C LEU A 62 9.608 -12.052 -0.453 1.00 0.00 C ATOM 977 O LEU A 62 10.473 -12.398 -1.255 1.00 0.00 O ATOM 978 CB LEU A 62 9.610 -9.546 -0.442 1.00 0.00 C ATOM 979 CG LEU A 62 8.866 -8.232 -0.678 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.477 -7.111 0.149 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.876 -7.872 -2.156 1.00 0.00 C ATOM 0 H LEU A 62 7.509 -9.955 0.747 1.00 0.00 H new ATOM 0 HA LEU A 62 8.450 -10.812 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.970 -9.566 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.488 -9.573 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 62 7.831 -8.364 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.932 -6.185 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.416 -7.365 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.522 -6.979 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.342 -6.934 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.906 -7.762 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.388 -8.662 -2.726 1.00 0.00 H new ATOM 993 N GLU A 63 9.337 -12.730 0.654 1.00 0.00 N ATOM 994 CA GLU A 63 10.056 -13.947 1.001 1.00 0.00 C ATOM 995 C GLU A 63 9.128 -15.158 0.959 1.00 0.00 C ATOM 996 O GLU A 63 9.580 -16.302 1.013 1.00 0.00 O ATOM 997 CB GLU A 63 10.673 -13.803 2.389 1.00 0.00 C ATOM 998 CG GLU A 63 12.158 -13.480 2.365 1.00 0.00 C ATOM 999 CD GLU A 63 12.773 -13.443 3.750 1.00 0.00 C ATOM 1000 OE1 GLU A 63 13.098 -14.524 4.285 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.929 -12.333 4.301 1.00 0.00 O ATOM 0 H GLU A 63 8.622 -12.456 1.328 1.00 0.00 H new ATOM 0 HA GLU A 63 10.849 -14.103 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.148 -13.017 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.520 -14.729 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.677 -14.224 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.308 -12.515 1.880 1.00 0.00 H new ATOM 1008 N ASP A 64 7.827 -14.894 0.868 1.00 0.00 N ATOM 1009 CA ASP A 64 6.826 -15.958 0.821 1.00 0.00 C ATOM 1010 C ASP A 64 7.032 -16.849 -0.395 1.00 0.00 C ATOM 1011 O ASP A 64 6.996 -18.077 -0.300 1.00 0.00 O ATOM 1012 CB ASP A 64 5.418 -15.358 0.803 1.00 0.00 C ATOM 1013 CG ASP A 64 4.417 -16.206 1.562 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.450 -16.188 2.811 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.601 -16.890 0.911 1.00 0.00 O ATOM 0 H ASP A 64 7.440 -13.951 0.825 1.00 0.00 H new ATOM 0 HA ASP A 64 6.940 -16.571 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.447 -14.359 1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.087 -15.247 -0.230 1.00 0.00 H new ATOM 1020 N ASP A 65 7.240 -16.207 -1.530 1.00 0.00 N ATOM 1021 CA ASP A 65 7.468 -16.903 -2.798 1.00 0.00 C ATOM 1022 C ASP A 65 6.247 -17.729 -3.201 1.00 0.00 C ATOM 1023 O ASP A 65 6.361 -18.701 -3.948 1.00 0.00 O ATOM 1024 CB ASP A 65 8.703 -17.804 -2.693 1.00 0.00 C ATOM 1025 CG ASP A 65 9.194 -18.281 -4.046 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.881 -17.500 -4.738 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.896 -19.438 -4.412 1.00 0.00 O ATOM 0 H ASP A 65 7.257 -15.190 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 65 7.639 -16.152 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.503 -17.260 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.466 -18.668 -2.071 1.00 0.00 H new ATOM 1032 N SER A 66 5.080 -17.332 -2.704 1.00 0.00 N ATOM 1033 CA SER A 66 3.837 -18.036 -3.007 1.00 0.00 C ATOM 1034 C SER A 66 3.200 -17.541 -4.306 1.00 0.00 C ATOM 1035 O SER A 66 2.080 -17.929 -4.640 1.00 0.00 O ATOM 1036 CB SER A 66 2.852 -17.880 -1.852 1.00 0.00 C ATOM 1037 OG SER A 66 2.994 -18.932 -0.914 1.00 0.00 O ATOM 0 H SER A 66 4.968 -16.526 -2.089 1.00 0.00 H new ATOM 0 HA SER A 66 4.082 -19.090 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.016 -16.923 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.833 -17.868 -2.238 1.00 0.00 H new ATOM 0 HG SER A 66 3.222 -18.559 -0.037 1.00 0.00 H new ATOM 1043 N GLY A 67 3.913 -16.689 -5.036 1.00 0.00 N ATOM 1044 CA GLY A 67 3.388 -16.165 -6.288 1.00 0.00 C ATOM 1045 C GLY A 67 2.601 -14.884 -6.094 1.00 0.00 C ATOM 1046 O GLY A 67 3.181 -13.836 -5.820 1.00 0.00 O ATOM 0 H GLY A 67 4.842 -16.352 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.213 -15.981 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.748 -16.915 -6.752 1.00 0.00 H new ATOM 1050 N PHE A 68 1.278 -14.963 -6.244 1.00 0.00 N ATOM 1051 CA PHE A 68 0.419 -13.792 -6.067 1.00 0.00 C ATOM 1052 C PHE A 68 0.773 -13.090 -4.762 1.00 0.00 C ATOM 1053 O PHE A 68 0.646 -11.871 -4.637 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.055 -14.208 -6.051 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.957 -13.331 -6.878 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.953 -11.950 -6.726 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.826 -13.894 -7.800 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.796 -11.155 -7.480 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.668 -13.103 -8.556 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.654 -11.732 -8.396 1.00 0.00 C ATOM 0 H PHE A 68 0.781 -15.820 -6.486 1.00 0.00 H new ATOM 0 HA PHE A 68 0.579 -13.109 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.135 -15.233 -6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.410 -14.204 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.284 -11.493 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.845 -14.966 -7.929 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.784 -10.083 -7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.337 -13.557 -9.272 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.313 -11.112 -8.986 1.00 0.00 H new ATOM 1070 N VAL A 69 1.221 -13.884 -3.793 1.00 0.00 N ATOM 1071 CA VAL A 69 1.621 -13.369 -2.492 1.00 0.00 C ATOM 1072 C VAL A 69 2.941 -12.608 -2.593 1.00 0.00 C ATOM 1073 O VAL A 69 3.050 -11.472 -2.133 1.00 0.00 O ATOM 1074 CB VAL A 69 1.772 -14.515 -1.470 1.00 0.00 C ATOM 1075 CG1 VAL A 69 2.170 -13.980 -0.105 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.485 -15.321 -1.376 1.00 0.00 C ATOM 0 H VAL A 69 1.316 -14.895 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 69 0.839 -12.689 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 69 2.567 -15.174 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.269 -14.809 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.122 -13.455 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.405 -13.292 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.611 -16.125 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.330 -14.670 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.250 -15.747 -2.352 1.00 0.00 H new ATOM 1086 N ARG A 70 3.940 -13.240 -3.205 1.00 0.00 N ATOM 1087 CA ARG A 70 5.255 -12.625 -3.365 1.00 0.00 C ATOM 1088 C ARG A 70 5.196 -11.445 -4.331 1.00 0.00 C ATOM 1089 O ARG A 70 5.471 -10.306 -3.951 1.00 0.00 O ATOM 1090 CB ARG A 70 6.270 -13.653 -3.867 1.00 0.00 C ATOM 1091 CG ARG A 70 7.703 -13.140 -3.868 1.00 0.00 C ATOM 1092 CD ARG A 70 8.598 -13.991 -4.752 1.00 0.00 C ATOM 1093 NE ARG A 70 8.092 -14.077 -6.121 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.728 -14.702 -7.107 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.894 -15.293 -6.881 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.198 -14.735 -8.322 1.00 0.00 N ATOM 0 H ARG A 70 3.864 -14.178 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 70 5.571 -12.258 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.212 -14.544 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.000 -13.955 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.721 -12.108 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.091 -13.139 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.603 -13.570 -4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.677 -14.993 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 70 7.199 -13.632 -6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.306 -15.269 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.379 -15.772 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.302 -14.281 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.686 -15.215 -9.078 1.00 0.00 H new ATOM 1110 N SER A 71 4.838 -11.727 -5.583 1.00 0.00 N ATOM 1111 CA SER A 71 4.741 -10.695 -6.611 1.00 0.00 C ATOM 1112 C SER A 71 3.890 -9.526 -6.131 1.00 0.00 C ATOM 1113 O SER A 71 4.073 -8.391 -6.575 1.00 0.00 O ATOM 1114 CB SER A 71 4.147 -11.277 -7.895 1.00 0.00 C ATOM 1115 OG SER A 71 4.949 -12.330 -8.397 1.00 0.00 O ATOM 0 H SER A 71 4.610 -12.666 -5.909 1.00 0.00 H new ATOM 0 HA SER A 71 5.747 -10.329 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.140 -11.645 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.059 -10.493 -8.647 1.00 0.00 H new ATOM 0 HG SER A 71 4.546 -12.686 -9.217 1.00 0.00 H new ATOM 1121 N GLY A 72 2.958 -9.808 -5.226 1.00 0.00 N ATOM 1122 CA GLY A 72 2.106 -8.763 -4.695 1.00 0.00 C ATOM 1123 C GLY A 72 2.911 -7.659 -4.049 1.00 0.00 C ATOM 1124 O GLY A 72 2.784 -6.491 -4.415 1.00 0.00 O ATOM 0 H GLY A 72 2.779 -10.740 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.497 -8.347 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.420 -9.190 -3.963 1.00 0.00 H new ATOM 1128 N ALA A 73 3.737 -8.035 -3.082 1.00 0.00 N ATOM 1129 CA ALA A 73 4.588 -7.082 -2.387 1.00 0.00 C ATOM 1130 C ALA A 73 5.466 -6.320 -3.370 1.00 0.00 C ATOM 1131 O ALA A 73 5.587 -5.098 -3.292 1.00 0.00 O ATOM 1132 CB ALA A 73 5.450 -7.803 -1.368 1.00 0.00 C ATOM 0 H ALA A 73 3.835 -8.998 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 73 3.950 -6.364 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.084 -7.082 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.811 -8.308 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.075 -8.538 -1.875 1.00 0.00 H new ATOM 1138 N ALA A 74 6.077 -7.055 -4.296 1.00 0.00 N ATOM 1139 CA ALA A 74 6.947 -6.455 -5.297 1.00 0.00 C ATOM 1140 C ALA A 74 6.194 -5.410 -6.111 1.00 0.00 C ATOM 1141 O ALA A 74 6.788 -4.466 -6.634 1.00 0.00 O ATOM 1142 CB ALA A 74 7.516 -7.528 -6.211 1.00 0.00 C ATOM 0 H ALA A 74 5.984 -8.068 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 74 7.770 -5.959 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.165 -7.066 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.091 -8.241 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.700 -8.048 -6.714 1.00 0.00 H new ATOM 1148 N ARG A 75 4.882 -5.590 -6.212 1.00 0.00 N ATOM 1149 CA ARG A 75 4.035 -4.670 -6.960 1.00 0.00 C ATOM 1150 C ARG A 75 3.647 -3.470 -6.101 1.00 0.00 C ATOM 1151 O ARG A 75 3.521 -2.352 -6.600 1.00 0.00 O ATOM 1152 CB ARG A 75 2.774 -5.391 -7.442 1.00 0.00 C ATOM 1153 CG ARG A 75 1.987 -4.613 -8.482 1.00 0.00 C ATOM 1154 CD ARG A 75 0.583 -5.173 -8.656 1.00 0.00 C ATOM 1155 NE ARG A 75 -0.004 -4.780 -9.934 1.00 0.00 N ATOM 1156 CZ ARG A 75 -1.002 -3.909 -10.054 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -1.522 -3.335 -8.977 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -1.482 -3.610 -11.254 1.00 0.00 N ATOM 0 H ARG A 75 4.381 -6.368 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 75 4.598 -4.312 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.056 -6.357 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.130 -5.590 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.928 -3.566 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.513 -4.645 -9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.615 -6.261 -8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.051 -4.823 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 75 0.373 -5.198 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.157 -3.561 -8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.287 -2.668 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.086 -4.048 -12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.247 -2.942 -11.345 1.00 0.00 H new ATOM 1172 N SER A 76 3.464 -3.713 -4.806 1.00 0.00 N ATOM 1173 CA SER A 76 3.079 -2.660 -3.871 1.00 0.00 C ATOM 1174 C SER A 76 4.138 -1.563 -3.792 1.00 0.00 C ATOM 1175 O SER A 76 3.810 -0.380 -3.714 1.00 0.00 O ATOM 1176 CB SER A 76 2.838 -3.251 -2.481 1.00 0.00 C ATOM 1177 OG SER A 76 1.837 -4.252 -2.519 1.00 0.00 O ATOM 0 H SER A 76 3.577 -4.633 -4.379 1.00 0.00 H new ATOM 0 HA SER A 76 2.157 -2.211 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.766 -3.675 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.540 -2.460 -1.793 1.00 0.00 H new ATOM 0 HG SER A 76 1.000 -3.892 -2.158 1.00 0.00 H new ATOM 1183 N LEU A 77 5.407 -1.959 -3.814 1.00 0.00 N ATOM 1184 CA LEU A 77 6.511 -1.004 -3.732 1.00 0.00 C ATOM 1185 C LEU A 77 6.464 0.001 -4.878 1.00 0.00 C ATOM 1186 O LEU A 77 6.376 1.206 -4.653 1.00 0.00 O ATOM 1187 CB LEU A 77 7.853 -1.738 -3.744 1.00 0.00 C ATOM 1188 CG LEU A 77 8.146 -2.562 -2.491 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.476 -3.997 -2.863 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.285 -1.941 -1.696 1.00 0.00 C ATOM 0 H LEU A 77 5.698 -2.934 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 77 6.406 -0.459 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.882 -2.398 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.650 -1.006 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 77 7.253 -2.565 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.682 -4.569 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.630 -4.440 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.353 -4.013 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.479 -2.542 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.183 -1.906 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.011 -0.929 -1.397 1.00 0.00 H new ATOM 1202 N GLU A 78 6.525 -0.508 -6.104 1.00 0.00 N ATOM 1203 CA GLU A 78 6.501 0.337 -7.295 1.00 0.00 C ATOM 1204 C GLU A 78 5.364 1.356 -7.242 1.00 0.00 C ATOM 1205 O GLU A 78 5.533 2.504 -7.655 1.00 0.00 O ATOM 1206 CB GLU A 78 6.360 -0.531 -8.545 1.00 0.00 C ATOM 1207 CG GLU A 78 7.458 -1.572 -8.686 1.00 0.00 C ATOM 1208 CD GLU A 78 7.165 -2.587 -9.775 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.477 -2.302 -10.951 1.00 0.00 O ATOM 1210 OE2 GLU A 78 6.624 -3.665 -9.452 1.00 0.00 O ATOM 0 H GLU A 78 6.592 -1.507 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 78 7.441 0.887 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.394 -1.035 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.363 0.111 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.401 -1.072 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.586 -2.091 -7.736 1.00 0.00 H new ATOM 1217 N GLN A 79 4.211 0.937 -6.734 1.00 0.00 N ATOM 1218 CA GLN A 79 3.054 1.823 -6.637 1.00 0.00 C ATOM 1219 C GLN A 79 3.261 2.894 -5.567 1.00 0.00 C ATOM 1220 O GLN A 79 3.021 4.077 -5.809 1.00 0.00 O ATOM 1221 CB GLN A 79 1.793 1.016 -6.327 1.00 0.00 C ATOM 1222 CG GLN A 79 1.523 -0.091 -7.332 1.00 0.00 C ATOM 1223 CD GLN A 79 0.361 -0.975 -6.927 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.783 -0.731 -7.309 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.651 -2.010 -6.144 1.00 0.00 N ATOM 0 H GLN A 79 4.051 -0.007 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 79 2.936 2.322 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.885 0.579 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.937 1.690 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.316 0.351 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.419 -0.702 -7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.614 -2.174 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.090 -2.640 -5.836 1.00 0.00 H new ATOM 1234 N ILE A 80 3.706 2.474 -4.386 1.00 0.00 N ATOM 1235 CA ILE A 80 3.938 3.400 -3.281 1.00 0.00 C ATOM 1236 C ILE A 80 5.002 4.435 -3.637 1.00 0.00 C ATOM 1237 O ILE A 80 4.731 5.637 -3.646 1.00 0.00 O ATOM 1238 CB ILE A 80 4.361 2.651 -1.997 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.226 1.740 -1.520 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.748 3.640 -0.906 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.600 0.865 -0.342 1.00 0.00 C ATOM 0 H ILE A 80 3.913 1.499 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 80 2.994 3.912 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 80 5.231 2.034 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.369 2.355 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.910 1.104 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.043 3.095 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.582 4.253 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.897 4.281 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.746 0.248 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.437 0.223 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.887 1.493 0.501 1.00 0.00 H new ATOM 1253 N GLY A 81 6.210 3.961 -3.930 1.00 0.00 N ATOM 1254 CA GLY A 81 7.296 4.859 -4.285 1.00 0.00 C ATOM 1255 C GLY A 81 7.520 5.940 -3.247 1.00 0.00 C ATOM 1256 O GLY A 81 7.230 7.112 -3.488 1.00 0.00 O ATOM 0 H GLY A 81 6.456 2.971 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.213 4.283 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.079 5.323 -5.247 1.00 0.00 H new ATOM 1260 N GLY A 82 8.038 5.545 -2.087 1.00 0.00 N ATOM 1261 CA GLY A 82 8.291 6.503 -1.025 1.00 0.00 C ATOM 1262 C GLY A 82 9.423 6.073 -0.111 1.00 0.00 C ATOM 1263 O GLY A 82 9.832 4.913 -0.121 1.00 0.00 O ATOM 0 H GLY A 82 8.286 4.581 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.531 7.472 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.383 6.636 -0.436 1.00 0.00 H new ATOM 1267 N GLU A 83 9.927 7.014 0.681 1.00 0.00 N ATOM 1268 CA GLU A 83 11.018 6.733 1.608 1.00 0.00 C ATOM 1269 C GLU A 83 10.575 5.747 2.686 1.00 0.00 C ATOM 1270 O GLU A 83 11.388 5.003 3.233 1.00 0.00 O ATOM 1271 CB GLU A 83 11.505 8.032 2.257 1.00 0.00 C ATOM 1272 CG GLU A 83 12.662 7.835 3.223 1.00 0.00 C ATOM 1273 CD GLU A 83 13.064 9.120 3.921 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.441 9.456 4.949 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.000 9.791 3.437 1.00 0.00 O ATOM 0 H GLU A 83 9.597 7.979 0.699 1.00 0.00 H new ATOM 0 HA GLU A 83 11.837 6.284 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.811 8.727 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.674 8.496 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.384 7.092 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.520 7.437 2.681 1.00 0.00 H new ATOM 1282 N ARG A 84 9.280 5.750 2.983 1.00 0.00 N ATOM 1283 CA ARG A 84 8.723 4.860 3.995 1.00 0.00 C ATOM 1284 C ARG A 84 8.758 3.409 3.522 1.00 0.00 C ATOM 1285 O ARG A 84 9.243 2.528 4.233 1.00 0.00 O ATOM 1286 CB ARG A 84 7.289 5.281 4.363 1.00 0.00 C ATOM 1287 CG ARG A 84 6.254 5.066 3.262 1.00 0.00 C ATOM 1288 CD ARG A 84 6.504 5.961 2.056 1.00 0.00 C ATOM 1289 NE ARG A 84 6.641 7.365 2.431 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.272 8.378 1.651 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.729 8.140 0.465 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.443 9.628 2.057 1.00 0.00 N ATOM 0 H ARG A 84 8.595 6.360 2.536 1.00 0.00 H new ATOM 0 HA ARG A 84 9.340 4.938 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.978 4.725 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.294 6.336 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.271 4.022 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.258 5.263 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.409 5.633 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.681 5.854 1.349 1.00 0.00 H new ATOM 0 HE ARG A 84 7.043 7.582 3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.594 7.179 0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.447 8.917 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.858 9.816 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.159 10.402 1.457 1.00 0.00 H new ATOM 1306 N VAL A 85 8.244 3.166 2.320 1.00 0.00 N ATOM 1307 CA VAL A 85 8.230 1.826 1.751 1.00 0.00 C ATOM 1308 C VAL A 85 9.639 1.399 1.370 1.00 0.00 C ATOM 1309 O VAL A 85 9.941 0.211 1.270 1.00 0.00 O ATOM 1310 CB VAL A 85 7.325 1.756 0.509 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.954 2.486 -0.667 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.013 0.309 0.152 1.00 0.00 C ATOM 0 H VAL A 85 7.832 3.882 1.722 1.00 0.00 H new ATOM 0 HA VAL A 85 7.835 1.150 2.509 1.00 0.00 H new ATOM 0 HB VAL A 85 6.386 2.256 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.293 2.421 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.107 3.533 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.913 2.028 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.372 0.282 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.941 -0.222 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.502 -0.170 0.987 1.00 0.00 H new ATOM 1322 N ARG A 86 10.488 2.392 1.141 1.00 0.00 N ATOM 1323 CA ARG A 86 11.878 2.153 0.778 1.00 0.00 C ATOM 1324 C ARG A 86 12.552 1.234 1.791 1.00 0.00 C ATOM 1325 O ARG A 86 13.463 0.480 1.452 1.00 0.00 O ATOM 1326 CB ARG A 86 12.633 3.478 0.688 1.00 0.00 C ATOM 1327 CG ARG A 86 14.061 3.335 0.189 1.00 0.00 C ATOM 1328 CD ARG A 86 14.758 4.683 0.100 1.00 0.00 C ATOM 1329 NE ARG A 86 16.141 4.556 -0.348 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.814 5.530 -0.951 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.228 6.696 -1.189 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.072 5.337 -1.321 1.00 0.00 N ATOM 0 H ARG A 86 10.235 3.378 1.201 1.00 0.00 H new ATOM 0 HA ARG A 86 11.899 1.664 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.091 4.150 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.647 3.946 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.618 2.680 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.059 2.860 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.212 5.328 -0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.736 5.167 1.076 1.00 0.00 H new ATOM 0 HE ARG A 86 16.618 3.669 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.259 6.846 -0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.747 7.442 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.524 4.440 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.588 6.085 -1.784 1.00 0.00 H new ATOM 1346 N ALA A 87 12.096 1.299 3.039 1.00 0.00 N ATOM 1347 CA ALA A 87 12.648 0.465 4.095 1.00 0.00 C ATOM 1348 C ALA A 87 12.342 -1.002 3.823 1.00 0.00 C ATOM 1349 O ALA A 87 13.117 -1.887 4.183 1.00 0.00 O ATOM 1350 CB ALA A 87 12.092 0.884 5.448 1.00 0.00 C ATOM 0 H ALA A 87 11.346 1.921 3.341 1.00 0.00 H new ATOM 0 HA ALA A 87 13.730 0.596 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.515 0.250 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.355 1.924 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.007 0.779 5.444 1.00 0.00 H new ATOM 1356 N ALA A 88 11.203 -1.248 3.181 1.00 0.00 N ATOM 1357 CA ALA A 88 10.788 -2.604 2.847 1.00 0.00 C ATOM 1358 C ALA A 88 11.801 -3.273 1.924 1.00 0.00 C ATOM 1359 O ALA A 88 12.255 -4.384 2.196 1.00 0.00 O ATOM 1360 CB ALA A 88 9.408 -2.596 2.206 1.00 0.00 C ATOM 0 H ALA A 88 10.551 -0.523 2.882 1.00 0.00 H new ATOM 0 HA ALA A 88 10.739 -3.180 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.114 -3.617 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.687 -2.166 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.434 -1.999 1.294 1.00 0.00 H new ATOM 1366 N MET A 89 12.154 -2.597 0.831 1.00 0.00 N ATOM 1367 CA MET A 89 13.122 -3.147 -0.109 1.00 0.00 C ATOM 1368 C MET A 89 14.511 -3.168 0.512 1.00 0.00 C ATOM 1369 O MET A 89 15.366 -3.959 0.117 1.00 0.00 O ATOM 1370 CB MET A 89 13.128 -2.370 -1.433 1.00 0.00 C ATOM 1371 CG MET A 89 13.398 -0.878 -1.311 1.00 0.00 C ATOM 1372 SD MET A 89 15.084 -0.490 -0.792 1.00 0.00 S ATOM 1373 CE MET A 89 16.033 -1.237 -2.112 1.00 0.00 C ATOM 0 H MET A 89 11.788 -1.679 0.579 1.00 0.00 H new ATOM 0 HA MET A 89 12.825 -4.171 -0.334 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.882 -2.806 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.163 -2.509 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.204 -0.402 -2.272 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.698 -0.448 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.975 -0.702 -2.230 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.236 -2.280 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.467 -1.185 -3.042 1.00 0.00 H new ATOM 1383 N GLU A 90 14.731 -2.285 1.480 1.00 0.00 N ATOM 1384 CA GLU A 90 16.013 -2.214 2.170 1.00 0.00 C ATOM 1385 C GLU A 90 16.219 -3.464 3.014 1.00 0.00 C ATOM 1386 O GLU A 90 17.321 -4.009 3.080 1.00 0.00 O ATOM 1387 CB GLU A 90 16.082 -0.969 3.056 1.00 0.00 C ATOM 1388 CG GLU A 90 16.466 0.296 2.307 1.00 0.00 C ATOM 1389 CD GLU A 90 16.472 1.522 3.199 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.507 1.779 3.848 1.00 0.00 O ATOM 1391 OE2 GLU A 90 15.441 2.226 3.247 1.00 0.00 O ATOM 0 H GLU A 90 14.039 -1.609 1.804 1.00 0.00 H new ATOM 0 HA GLU A 90 16.804 -2.151 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.113 -0.819 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.805 -1.142 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.455 0.167 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.768 0.453 1.484 1.00 0.00 H new ATOM 1398 N LYS A 91 15.144 -3.910 3.656 1.00 0.00 N ATOM 1399 CA LYS A 91 15.195 -5.102 4.496 1.00 0.00 C ATOM 1400 C LYS A 91 15.153 -6.371 3.652 1.00 0.00 C ATOM 1401 O LYS A 91 15.575 -7.436 4.101 1.00 0.00 O ATOM 1402 CB LYS A 91 14.037 -5.101 5.496 1.00 0.00 C ATOM 1403 CG LYS A 91 14.021 -3.889 6.415 1.00 0.00 C ATOM 1404 CD LYS A 91 15.247 -3.847 7.313 1.00 0.00 C ATOM 1405 CE LYS A 91 15.282 -2.573 8.142 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.347 -1.356 7.284 1.00 0.00 N ATOM 0 H LYS A 91 14.228 -3.465 3.611 1.00 0.00 H new ATOM 0 HA LYS A 91 16.138 -5.085 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.096 -5.142 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.092 -6.005 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.977 -2.979 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.121 -3.910 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.246 -4.714 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.149 -3.912 6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.395 -2.526 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.145 -2.596 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.688 -0.551 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.999 -1.524 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.399 -1.142 6.913 1.00 0.00 H new ATOM 1420 N LEU A 92 14.644 -6.256 2.428 1.00 0.00 N ATOM 1421 CA LEU A 92 14.559 -7.397 1.536 1.00 0.00 C ATOM 1422 C LEU A 92 15.862 -7.556 0.758 1.00 0.00 C ATOM 1423 O LEU A 92 16.251 -8.665 0.404 1.00 0.00 O ATOM 1424 CB LEU A 92 13.360 -7.228 0.592 1.00 0.00 C ATOM 1425 CG LEU A 92 13.582 -7.675 -0.852 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.649 -9.193 -0.942 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.475 -7.136 -1.745 1.00 0.00 C ATOM 0 H LEU A 92 14.286 -5.385 2.037 1.00 0.00 H new ATOM 0 HA LEU A 92 14.408 -8.305 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.519 -7.788 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.071 -6.177 0.587 1.00 0.00 H new ATOM 0 HG LEU A 92 14.535 -7.272 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.808 -9.489 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.474 -9.558 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.713 -9.621 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.645 -7.461 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.513 -7.513 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.473 -6.047 -1.705 1.00 0.00 H new ATOM 1439 N ALA A 93 16.535 -6.438 0.505 1.00 0.00 N ATOM 1440 CA ALA A 93 17.799 -6.452 -0.223 1.00 0.00 C ATOM 1441 C ALA A 93 18.850 -7.269 0.523 1.00 0.00 C ATOM 1442 O ALA A 93 19.773 -7.814 -0.084 1.00 0.00 O ATOM 1443 CB ALA A 93 18.295 -5.032 -0.447 1.00 0.00 C ATOM 0 H ALA A 93 16.226 -5.510 0.794 1.00 0.00 H new ATOM 0 HA ALA A 93 17.628 -6.922 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.239 -5.058 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.557 -4.476 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.445 -4.543 0.515 1.00 0.00 H new ATOM 1449 N GLU A 94 18.704 -7.349 1.844 1.00 0.00 N ATOM 1450 CA GLU A 94 19.635 -8.106 2.674 1.00 0.00 C ATOM 1451 C GLU A 94 19.305 -9.593 2.617 1.00 0.00 C ATOM 1452 O GLU A 94 20.169 -10.444 2.826 1.00 0.00 O ATOM 1453 CB GLU A 94 19.583 -7.612 4.120 1.00 0.00 C ATOM 1454 CG GLU A 94 19.931 -6.139 4.272 1.00 0.00 C ATOM 1455 CD GLU A 94 19.899 -5.680 5.717 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.793 -5.407 6.230 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.981 -5.595 6.337 1.00 0.00 O ATOM 0 H GLU A 94 17.949 -6.898 2.361 1.00 0.00 H new ATOM 0 HA GLU A 94 20.643 -7.954 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.583 -7.784 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.272 -8.204 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.924 -5.959 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.230 -5.542 3.689 1.00 0.00 H new ATOM 1464 N THR A 95 18.043 -9.890 2.332 1.00 0.00 N ATOM 1465 CA THR A 95 17.577 -11.265 2.225 1.00 0.00 C ATOM 1466 C THR A 95 17.088 -11.522 0.810 1.00 0.00 C ATOM 1467 O THR A 95 16.269 -12.409 0.566 1.00 0.00 O ATOM 1468 CB THR A 95 16.436 -11.554 3.221 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.428 -10.541 3.118 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.965 -11.610 4.646 1.00 0.00 C ATOM 0 H THR A 95 17.319 -9.190 2.170 1.00 0.00 H new ATOM 0 HA THR A 95 18.411 -11.926 2.463 1.00 0.00 H new ATOM 0 HB THR A 95 16.002 -12.523 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.576 -10.893 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.143 -11.815 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.710 -12.401 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.421 -10.654 4.902 1.00 0.00 H new ATOM 1478 N GLY A 96 17.613 -10.729 -0.120 1.00 0.00 N ATOM 1479 CA GLY A 96 17.228 -10.841 -1.508 1.00 0.00 C ATOM 1480 C GLY A 96 17.480 -12.213 -2.085 1.00 0.00 C ATOM 1481 O GLY A 96 18.609 -12.705 -2.084 1.00 0.00 O ATOM 0 H GLY A 96 18.305 -10.005 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.169 -10.602 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.777 -10.102 -2.092 1.00 0.00 H new ATOM 1485 N THR A 97 16.417 -12.831 -2.574 1.00 0.00 N ATOM 1486 CA THR A 97 16.505 -14.152 -3.177 1.00 0.00 C ATOM 1487 C THR A 97 15.622 -14.240 -4.417 1.00 0.00 C ATOM 1488 O THR A 97 14.446 -13.875 -4.380 1.00 0.00 O ATOM 1489 CB THR A 97 16.094 -15.250 -2.180 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.949 -15.214 -1.031 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.165 -16.627 -2.823 1.00 0.00 C ATOM 0 H THR A 97 15.477 -12.436 -2.565 1.00 0.00 H new ATOM 0 HA THR A 97 17.545 -14.309 -3.463 1.00 0.00 H new ATOM 0 HB THR A 97 15.064 -15.062 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.770 -14.400 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.869 -17.384 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.492 -16.664 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.185 -16.821 -3.155 1.00 0.00 H new ATOM 1499 N GLY A 98 16.194 -14.727 -5.514 1.00 0.00 N ATOM 1500 CA GLY A 98 15.445 -14.854 -6.750 1.00 0.00 C ATOM 1501 C GLY A 98 14.880 -13.532 -7.232 1.00 0.00 C ATOM 1502 O GLY A 98 15.579 -12.519 -7.251 1.00 0.00 O ATOM 0 H GLY A 98 17.164 -15.036 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.093 -15.270 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.629 -15.561 -6.604 1.00 0.00 H new ATOM 1506 N PHE A 99 13.609 -13.546 -7.620 1.00 0.00 N ATOM 1507 CA PHE A 99 12.936 -12.345 -8.107 1.00 0.00 C ATOM 1508 C PHE A 99 12.786 -11.309 -6.996 1.00 0.00 C ATOM 1509 O PHE A 99 12.851 -10.106 -7.244 1.00 0.00 O ATOM 1510 CB PHE A 99 11.563 -12.718 -8.677 1.00 0.00 C ATOM 1511 CG PHE A 99 10.683 -11.539 -8.985 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.013 -10.650 -9.996 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.519 -11.324 -8.262 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.199 -9.568 -10.279 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.703 -10.245 -8.541 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.043 -9.366 -9.550 1.00 0.00 C ATOM 0 H PHE A 99 13.021 -14.379 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 99 13.545 -11.903 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.706 -13.298 -9.588 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.050 -13.364 -7.965 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.915 -10.804 -10.569 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.248 -12.008 -7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.467 -8.882 -11.069 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.800 -10.089 -7.970 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.406 -8.522 -9.769 1.00 0.00 H new ATOM 1526 N ALA A 100 12.594 -11.789 -5.771 1.00 0.00 N ATOM 1527 CA ALA A 100 12.427 -10.914 -4.613 1.00 0.00 C ATOM 1528 C ALA A 100 13.541 -9.874 -4.516 1.00 0.00 C ATOM 1529 O ALA A 100 13.296 -8.724 -4.161 1.00 0.00 O ATOM 1530 CB ALA A 100 12.381 -11.743 -3.341 1.00 0.00 C ATOM 0 H ALA A 100 12.550 -12.784 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 100 11.486 -10.378 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.256 -11.084 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.543 -12.438 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.311 -12.302 -3.237 1.00 0.00 H new ATOM 1536 N ARG A 101 14.763 -10.283 -4.835 1.00 0.00 N ATOM 1537 CA ARG A 101 15.913 -9.386 -4.767 1.00 0.00 C ATOM 1538 C ARG A 101 15.868 -8.323 -5.860 1.00 0.00 C ATOM 1539 O ARG A 101 15.850 -7.127 -5.569 1.00 0.00 O ATOM 1540 CB ARG A 101 17.203 -10.185 -4.884 1.00 0.00 C ATOM 1541 CG ARG A 101 18.455 -9.355 -4.660 1.00 0.00 C ATOM 1542 CD ARG A 101 19.571 -10.190 -4.058 1.00 0.00 C ATOM 1543 NE ARG A 101 20.803 -9.423 -3.890 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.920 -9.926 -3.374 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.958 -11.188 -2.968 1.00 0.00 N ATOM 1546 NH2 ARG A 101 23.001 -9.167 -3.261 1.00 0.00 N ATOM 0 H ARG A 101 14.984 -11.230 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 101 15.878 -8.878 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.183 -11.000 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.251 -10.639 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.786 -8.930 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.226 -8.519 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.251 -10.578 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.765 -11.051 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 101 20.806 -8.447 -4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.129 -11.776 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.817 -11.571 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.977 -8.195 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.857 -9.555 -2.865 1.00 0.00 H new ATOM 1560 N LYS A 102 15.864 -8.771 -7.115 1.00 0.00 N ATOM 1561 CA LYS A 102 15.823 -7.863 -8.260 1.00 0.00 C ATOM 1562 C LYS A 102 14.759 -6.789 -8.060 1.00 0.00 C ATOM 1563 O LYS A 102 14.846 -5.695 -8.617 1.00 0.00 O ATOM 1564 CB LYS A 102 15.547 -8.652 -9.543 1.00 0.00 C ATOM 1565 CG LYS A 102 15.278 -7.781 -10.760 1.00 0.00 C ATOM 1566 CD LYS A 102 15.338 -8.584 -12.052 1.00 0.00 C ATOM 1567 CE LYS A 102 14.309 -9.703 -12.069 1.00 0.00 C ATOM 1568 NZ LYS A 102 14.425 -10.543 -13.293 1.00 0.00 N ATOM 0 H LYS A 102 15.889 -9.760 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 102 16.792 -7.371 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.401 -9.296 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.689 -9.304 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.296 -7.317 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.010 -6.974 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.168 -7.921 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.336 -9.006 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.438 -10.328 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.307 -9.276 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.707 -11.295 -13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.277 -9.951 -14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.372 -10.971 -13.332 1.00 0.00 H new ATOM 1582 N VAL A 103 13.761 -7.115 -7.250 1.00 0.00 N ATOM 1583 CA VAL A 103 12.678 -6.195 -6.950 1.00 0.00 C ATOM 1584 C VAL A 103 13.172 -5.008 -6.130 1.00 0.00 C ATOM 1585 O VAL A 103 13.086 -3.866 -6.565 1.00 0.00 O ATOM 1586 CB VAL A 103 11.560 -6.918 -6.174 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.593 -5.923 -5.543 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.816 -7.875 -7.089 1.00 0.00 C ATOM 0 H VAL A 103 13.681 -8.020 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 103 12.287 -5.827 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 103 12.023 -7.490 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.816 -6.464 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.135 -5.278 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.136 -5.315 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.029 -8.378 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.373 -7.318 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.511 -8.616 -7.483 1.00 0.00 H new ATOM 1598 N ALA A 104 13.704 -5.300 -4.948 1.00 0.00 N ATOM 1599 CA ALA A 104 14.202 -4.272 -4.036 1.00 0.00 C ATOM 1600 C ALA A 104 15.154 -3.285 -4.713 1.00 0.00 C ATOM 1601 O ALA A 104 14.897 -2.081 -4.754 1.00 0.00 O ATOM 1602 CB ALA A 104 14.910 -4.933 -2.864 1.00 0.00 C ATOM 0 H ALA A 104 13.803 -6.252 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 104 13.338 -3.702 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.281 -4.166 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.211 -5.580 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.746 -5.527 -3.232 1.00 0.00 H new ATOM 1608 N VAL A 105 16.244 -3.813 -5.244 1.00 0.00 N ATOM 1609 CA VAL A 105 17.285 -3.003 -5.877 1.00 0.00 C ATOM 1610 C VAL A 105 16.771 -2.159 -7.043 1.00 0.00 C ATOM 1611 O VAL A 105 16.795 -0.930 -6.985 1.00 0.00 O ATOM 1612 CB VAL A 105 18.438 -3.888 -6.385 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.614 -3.035 -6.834 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.867 -4.878 -5.313 1.00 0.00 C ATOM 0 H VAL A 105 16.437 -4.815 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 105 17.637 -2.325 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 105 18.081 -4.453 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.417 -3.681 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.297 -2.374 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.972 -2.438 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.683 -5.494 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.203 -4.335 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.024 -5.516 -5.048 1.00 0.00 H new ATOM 1624 N ASN A 106 16.310 -2.822 -8.099 1.00 0.00 N ATOM 1625 CA ASN A 106 15.822 -2.126 -9.287 1.00 0.00 C ATOM 1626 C ASN A 106 14.718 -1.127 -8.955 1.00 0.00 C ATOM 1627 O ASN A 106 14.660 -0.044 -9.536 1.00 0.00 O ATOM 1628 CB ASN A 106 15.323 -3.132 -10.327 1.00 0.00 C ATOM 1629 CG ASN A 106 16.457 -3.938 -10.932 1.00 0.00 C ATOM 1630 OD1 ASN A 106 16.820 -4.998 -10.424 1.00 0.00 O ATOM 1631 ND2 ASN A 106 17.025 -3.435 -12.022 1.00 0.00 N ATOM 0 H ASN A 106 16.264 -3.839 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 106 16.661 -1.565 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.606 -3.809 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.793 -2.602 -11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.794 -3.931 -12.472 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.692 -2.552 -12.410 1.00 0.00 H new ATOM 1638 N TYR A 107 13.842 -1.490 -8.027 1.00 0.00 N ATOM 1639 CA TYR A 107 12.746 -0.622 -7.634 1.00 0.00 C ATOM 1640 C TYR A 107 13.256 0.717 -7.106 1.00 0.00 C ATOM 1641 O TYR A 107 12.772 1.777 -7.501 1.00 0.00 O ATOM 1642 CB TYR A 107 11.899 -1.313 -6.573 1.00 0.00 C ATOM 1643 CG TYR A 107 11.090 -0.355 -5.743 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.053 0.381 -6.296 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.384 -0.176 -4.406 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.327 1.269 -5.532 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.667 0.711 -3.631 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.639 1.432 -4.198 1.00 0.00 C ATOM 1649 OH TYR A 107 8.921 2.320 -3.433 1.00 0.00 O ATOM 0 H TYR A 107 13.872 -2.382 -7.533 1.00 0.00 H new ATOM 0 HA TYR A 107 12.137 -0.423 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.226 -2.020 -7.058 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.550 -1.891 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.811 0.256 -7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.189 -0.740 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.519 1.833 -5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.910 0.840 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 107 9.538 2.906 -2.947 1.00 0.00 H new ATOM 1659 N LEU A 108 14.230 0.652 -6.204 1.00 0.00 N ATOM 1660 CA LEU A 108 14.806 1.846 -5.590 1.00 0.00 C ATOM 1661 C LEU A 108 15.288 2.850 -6.641 1.00 0.00 C ATOM 1662 O LEU A 108 15.423 4.040 -6.353 1.00 0.00 O ATOM 1663 CB LEU A 108 15.948 1.439 -4.646 1.00 0.00 C ATOM 1664 CG LEU A 108 17.356 1.884 -5.053 1.00 0.00 C ATOM 1665 CD1 LEU A 108 17.678 3.246 -4.456 1.00 0.00 C ATOM 1666 CD2 LEU A 108 18.385 0.852 -4.619 1.00 0.00 C ATOM 0 H LEU A 108 14.641 -0.223 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 108 14.028 2.346 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.734 1.843 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.946 0.353 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 108 17.392 1.969 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.682 3.546 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.957 3.980 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 108 17.626 3.188 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 108 19.380 1.183 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.349 0.736 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 108 18.164 -0.104 -5.094 1.00 0.00 H new ATOM 1678 N GLU A 109 15.538 2.370 -7.856 1.00 0.00 N ATOM 1679 CA GLU A 109 16.004 3.234 -8.940 1.00 0.00 C ATOM 1680 C GLU A 109 15.051 4.410 -9.151 1.00 0.00 C ATOM 1681 O GLU A 109 15.431 5.438 -9.711 1.00 0.00 O ATOM 1682 CB GLU A 109 16.141 2.433 -10.238 1.00 0.00 C ATOM 1683 CG GLU A 109 16.620 3.260 -11.421 1.00 0.00 C ATOM 1684 CD GLU A 109 16.718 2.450 -12.699 1.00 0.00 C ATOM 1685 OE1 GLU A 109 15.696 2.334 -13.408 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.816 1.933 -12.991 1.00 0.00 O ATOM 0 H GLU A 109 15.426 1.390 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 109 16.981 3.628 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.838 1.611 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.176 1.989 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.936 4.095 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.596 3.686 -11.190 1.00 0.00 H new ATOM 1693 N THR A 110 13.813 4.253 -8.694 1.00 0.00 N ATOM 1694 CA THR A 110 12.807 5.300 -8.830 1.00 0.00 C ATOM 1695 C THR A 110 12.733 6.160 -7.570 1.00 0.00 C ATOM 1696 O THR A 110 12.756 7.389 -7.645 1.00 0.00 O ATOM 1697 CB THR A 110 11.416 4.705 -9.116 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.984 3.907 -8.008 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.443 3.855 -10.378 1.00 0.00 C ATOM 0 H THR A 110 13.482 3.410 -8.226 1.00 0.00 H new ATOM 0 HA THR A 110 13.108 5.923 -9.672 1.00 0.00 H new ATOM 0 HB THR A 110 10.717 5.528 -9.263 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.569 3.126 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.450 3.444 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.743 4.471 -11.225 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.155 3.040 -10.252 1.00 0.00 H new ATOM 1707 N HIS A 111 12.644 5.505 -6.416 1.00 0.00 N ATOM 1708 CA HIS A 111 12.566 6.207 -5.138 1.00 0.00 C ATOM 1709 C HIS A 111 13.529 5.598 -4.124 1.00 0.00 C ATOM 1710 O HIS A 111 14.692 6.052 -4.067 1.00 0.00 O ATOM 1711 CB HIS A 111 11.137 6.167 -4.593 1.00 0.00 C ATOM 1712 CG HIS A 111 10.189 7.058 -5.336 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.569 6.688 -6.510 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.756 8.312 -5.062 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.795 7.676 -6.927 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.891 8.671 -6.067 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.114 4.673 -3.394 1.00 0.00 O ATOM 0 H HIS A 111 12.624 4.488 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 111 12.852 7.246 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.769 5.142 -4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.149 6.458 -3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 111 10.038 8.916 -4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.188 7.669 -7.820 1.00 0.00 H new ATOM 0 HE2 HIS A 111 8.402 9.563 -6.137 1.00 0.00 H new TER 1726 HIS A 111