USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 909 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 83 ASN :FLIP amide:sc= -0.145 F(o=-1.5,f=-0.24) USER MOD Set 1.2: A 97 MET CE :methyl -153:sc= -0.0993 (180deg=-0.062) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.131 (180deg=-0.752) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0316 (180deg=-0.0931) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= -0.0047 (180deg=-0.0703) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0142 F(o=-0.68,f=-0.014) USER MOD Single : A 7 MET CE :methyl 180:sc= -0.6 (180deg=-0.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 10:sc= -1.51! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -135:sc= 1.3 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 159:sc= -0.228 (180deg=-0.851) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.0615 (180deg=-0.467) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot -70:sc= -0.0652 USER MOD Single : A 62 THR OG1 : rot 64:sc= 0.387 USER MOD Single : A 64 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.07) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= -2.52! (180deg=-5.09!) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.0313 (180deg=-0.223) USER MOD Single : A 80 LYS NZ :NH3+ -109:sc= 0.961 (180deg=-1.24!) USER MOD Single : A 92 LYS NZ :NH3+ -118:sc= 1.01 (180deg=0.43) USER MOD Single : A 95 HIS : no HD1:sc= 1.68 K(o=1.7,f=-7.5!) USER MOD Single : A 100 SER OG : rot -81:sc= 1.92 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.767 -6.523 24.957 1.00 73.44 N ATOM 2 CA MET A 1 -9.877 -7.599 24.443 1.00 33.42 C ATOM 3 C MET A 1 -9.487 -7.358 22.974 1.00 43.25 C ATOM 4 O MET A 1 -10.335 -7.382 22.080 1.00 32.42 O ATOM 5 CB MET A 1 -10.549 -8.975 24.604 1.00 60.11 C ATOM 6 CG MET A 1 -11.910 -9.098 23.925 1.00 4.32 C ATOM 7 SD MET A 1 -12.649 -10.730 24.149 1.00 4.44 S ATOM 8 CE MET A 1 -11.429 -11.774 23.351 1.00 65.12 C ATOM 0 H1 MET A 1 -11.105 -6.777 25.907 1.00 73.44 H new ATOM 0 H2 MET A 1 -10.238 -5.629 25.005 1.00 73.44 H new ATOM 0 H3 MET A 1 -11.580 -6.411 24.319 1.00 73.44 H new ATOM 0 HA MET A 1 -8.962 -7.583 25.034 1.00 33.42 H new ATOM 0 HB2 MET A 1 -9.885 -9.739 24.200 1.00 60.11 H new ATOM 0 HB3 MET A 1 -10.667 -9.185 25.667 1.00 60.11 H new ATOM 0 HG2 MET A 1 -12.583 -8.340 24.326 1.00 4.32 H new ATOM 0 HG3 MET A 1 -11.801 -8.895 22.860 1.00 4.32 H new ATOM 0 HE1 MET A 1 -11.878 -12.736 23.106 1.00 65.12 H new ATOM 0 HE2 MET A 1 -11.080 -11.293 22.437 1.00 65.12 H new ATOM 0 HE3 MET A 1 -10.586 -11.928 24.024 1.00 65.12 H new ATOM 20 N LYS A 2 -8.200 -7.102 22.739 1.00 31.41 N ATOM 21 CA LYS A 2 -7.660 -6.933 21.382 1.00 64.32 C ATOM 22 C LYS A 2 -6.120 -6.858 21.429 1.00 74.41 C ATOM 23 O LYS A 2 -5.542 -5.767 21.486 1.00 21.51 O ATOM 24 CB LYS A 2 -8.239 -5.669 20.711 1.00 25.53 C ATOM 25 CG LYS A 2 -7.900 -5.544 19.221 1.00 35.33 C ATOM 26 CD LYS A 2 -8.584 -6.628 18.383 1.00 72.10 C ATOM 27 CE LYS A 2 -8.143 -6.588 16.920 1.00 44.01 C ATOM 28 NZ LYS A 2 -8.420 -5.278 16.276 1.00 61.30 N ATOM 0 H LYS A 2 -7.502 -7.006 23.477 1.00 31.41 H new ATOM 0 HA LYS A 2 -7.954 -7.797 20.786 1.00 64.32 H new ATOM 0 HB2 LYS A 2 -9.323 -5.672 20.828 1.00 25.53 H new ATOM 0 HB3 LYS A 2 -7.865 -4.789 21.234 1.00 25.53 H new ATOM 0 HG2 LYS A 2 -8.205 -4.561 18.861 1.00 35.33 H new ATOM 0 HG3 LYS A 2 -6.820 -5.611 19.088 1.00 35.33 H new ATOM 0 HD2 LYS A 2 -8.356 -7.608 18.803 1.00 72.10 H new ATOM 0 HD3 LYS A 2 -9.665 -6.501 18.439 1.00 72.10 H new ATOM 0 HE2 LYS A 2 -7.075 -6.800 16.860 1.00 44.01 H new ATOM 0 HE3 LYS A 2 -8.656 -7.376 16.368 1.00 44.01 H new ATOM 0 HZ1 LYS A 2 -8.181 -5.331 15.265 1.00 61.30 H new ATOM 0 HZ2 LYS A 2 -9.428 -5.045 16.382 1.00 61.30 H new ATOM 0 HZ3 LYS A 2 -7.845 -4.540 16.730 1.00 61.30 H new ATOM 42 N PRO A 3 -5.436 -8.023 21.455 1.00 52.01 N ATOM 43 CA PRO A 3 -3.962 -8.083 21.523 1.00 31.52 C ATOM 44 C PRO A 3 -3.270 -7.493 20.278 1.00 12.13 C ATOM 45 O PRO A 3 -3.012 -8.198 19.298 1.00 42.25 O ATOM 46 CB PRO A 3 -3.659 -9.590 21.656 1.00 41.21 C ATOM 47 CG PRO A 3 -4.953 -10.213 22.069 1.00 5.54 C ATOM 48 CD PRO A 3 -6.033 -9.369 21.448 1.00 34.21 C ATOM 0 HA PRO A 3 -3.581 -7.486 22.351 1.00 31.52 H new ATOM 0 HB2 PRO A 3 -3.305 -10.006 20.713 1.00 41.21 H new ATOM 0 HB3 PRO A 3 -2.880 -9.772 22.397 1.00 41.21 H new ATOM 0 HG2 PRO A 3 -5.017 -11.245 21.725 1.00 5.54 H new ATOM 0 HG3 PRO A 3 -5.048 -10.233 23.155 1.00 5.54 H new ATOM 0 HD2 PRO A 3 -6.275 -9.700 20.438 1.00 34.21 H new ATOM 0 HD3 PRO A 3 -6.957 -9.405 22.025 1.00 34.21 H new ATOM 56 N GLU A 4 -2.976 -6.196 20.324 1.00 40.34 N ATOM 57 CA GLU A 4 -2.351 -5.497 19.196 1.00 72.03 C ATOM 58 C GLU A 4 -0.845 -5.287 19.418 1.00 1.23 C ATOM 59 O GLU A 4 -0.429 -4.381 20.147 1.00 21.42 O ATOM 60 CB GLU A 4 -3.035 -4.140 18.969 1.00 45.42 C ATOM 61 CG GLU A 4 -4.516 -4.241 18.606 1.00 71.42 C ATOM 62 CD GLU A 4 -4.759 -4.914 17.262 1.00 71.45 C ATOM 63 OE1 GLU A 4 -4.784 -4.203 16.233 1.00 73.22 O ATOM 64 OE2 GLU A 4 -4.945 -6.149 17.230 1.00 2.43 O ATOM 0 H GLU A 4 -3.160 -5.602 21.133 1.00 40.34 H new ATOM 0 HA GLU A 4 -2.476 -6.124 18.313 1.00 72.03 H new ATOM 0 HB2 GLU A 4 -2.934 -3.538 19.872 1.00 45.42 H new ATOM 0 HB3 GLU A 4 -2.512 -3.610 18.173 1.00 45.42 H new ATOM 0 HG2 GLU A 4 -5.037 -4.799 19.384 1.00 71.42 H new ATOM 0 HG3 GLU A 4 -4.948 -3.240 18.588 1.00 71.42 H new ATOM 71 N HIS A 5 -0.037 -6.130 18.782 1.00 60.41 N ATOM 72 CA HIS A 5 1.425 -6.014 18.841 1.00 51.30 C ATOM 73 C HIS A 5 2.037 -6.149 17.437 1.00 33.11 C ATOM 74 O HIS A 5 1.336 -6.493 16.487 1.00 34.31 O ATOM 75 CB HIS A 5 2.015 -7.060 19.798 1.00 75.25 C ATOM 76 CG HIS A 5 1.654 -8.473 19.454 1.00 12.45 C ATOM 77 ND1 HIS A 5 2.307 -9.402 18.719 1.00 55.03 N flip ATOM 78 CD2 HIS A 5 0.505 -9.083 19.898 1.00 24.40 C flip ATOM 79 CE1 HIS A 5 1.548 -10.545 18.735 1.00 5.35 C flip ATOM 80 NE2 HIS A 5 0.465 -10.320 19.453 1.00 4.33 N flip ATOM 0 H HIS A 5 -0.369 -6.909 18.214 1.00 60.41 H new ATOM 0 HA HIS A 5 1.674 -5.025 19.226 1.00 51.30 H new ATOM 0 HB2 HIS A 5 3.101 -6.964 19.801 1.00 75.25 H new ATOM 0 HB3 HIS A 5 1.673 -6.845 20.810 1.00 75.25 H new ATOM 0 HD2 HIS A 5 -0.248 -8.618 20.517 1.00 24.40 H new ATOM 0 HE1 HIS A 5 1.796 -11.473 18.242 1.00 5.35 H new ATOM 0 HE2 HIS A 5 -0.280 -10.993 19.633 1.00 4.33 H new ATOM 89 N ARG A 6 3.344 -5.892 17.320 1.00 32.03 N ATOM 90 CA ARG A 6 4.024 -5.801 16.012 1.00 64.41 C ATOM 91 C ARG A 6 3.484 -4.617 15.192 1.00 61.54 C ATOM 92 O ARG A 6 3.601 -4.590 13.968 1.00 31.42 O ATOM 93 CB ARG A 6 3.892 -7.111 15.207 1.00 34.52 C ATOM 94 CG ARG A 6 4.639 -8.291 15.817 1.00 14.04 C ATOM 95 CD ARG A 6 4.586 -9.521 14.914 1.00 72.03 C ATOM 96 NE ARG A 6 3.221 -10.032 14.750 1.00 22.42 N ATOM 97 CZ ARG A 6 2.628 -10.210 13.595 1.00 24.32 C ATOM 98 NH1 ARG A 6 3.213 -9.872 12.492 1.00 41.12 N ATOM 99 NH2 ARG A 6 1.441 -10.719 13.552 1.00 31.03 N ATOM 0 H ARG A 6 3.961 -5.741 18.118 1.00 32.03 H new ATOM 0 HA ARG A 6 5.083 -5.635 16.212 1.00 64.41 H new ATOM 0 HB2 ARG A 6 2.836 -7.368 15.121 1.00 34.52 H new ATOM 0 HB3 ARG A 6 4.263 -6.943 14.196 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.678 -8.013 15.992 1.00 14.04 H new ATOM 0 HG3 ARG A 6 4.206 -8.533 16.788 1.00 14.04 H new ATOM 0 HD2 ARG A 6 4.997 -9.269 13.936 1.00 72.03 H new ATOM 0 HD3 ARG A 6 5.217 -10.305 15.333 1.00 72.03 H new ATOM 0 HE ARG A 6 2.697 -10.265 15.593 1.00 22.42 H new ATOM 0 HH11 ARG A 6 4.147 -9.462 12.515 1.00 41.12 H new ATOM 0 HH12 ARG A 6 2.741 -10.016 11.599 1.00 41.12 H new ATOM 0 HH21 ARG A 6 0.967 -10.982 14.416 1.00 31.03 H new ATOM 0 HH22 ARG A 6 0.978 -10.858 12.654 1.00 31.03 H new ATOM 113 N MET A 7 2.917 -3.630 15.886 1.00 44.20 N ATOM 114 CA MET A 7 2.328 -2.451 15.245 1.00 31.51 C ATOM 115 C MET A 7 3.237 -1.220 15.389 1.00 42.52 C ATOM 116 O MET A 7 3.340 -0.637 16.472 1.00 11.04 O ATOM 117 CB MET A 7 0.956 -2.152 15.868 1.00 54.42 C ATOM 118 CG MET A 7 0.276 -0.911 15.301 1.00 20.13 C ATOM 119 SD MET A 7 -1.236 -0.473 16.188 1.00 44.42 S ATOM 120 CE MET A 7 -2.236 -1.933 15.906 1.00 23.24 C ATOM 0 H MET A 7 2.852 -3.623 16.904 1.00 44.20 H new ATOM 0 HA MET A 7 2.214 -2.668 14.183 1.00 31.51 H new ATOM 0 HB2 MET A 7 0.304 -3.012 15.717 1.00 54.42 H new ATOM 0 HB3 MET A 7 1.076 -2.029 16.944 1.00 54.42 H new ATOM 0 HG2 MET A 7 0.971 -0.072 15.340 1.00 20.13 H new ATOM 0 HG3 MET A 7 0.039 -1.080 14.251 1.00 20.13 H new ATOM 0 HE1 MET A 7 -3.203 -1.812 16.394 1.00 23.24 H new ATOM 0 HE2 MET A 7 -2.385 -2.071 14.835 1.00 23.24 H new ATOM 0 HE3 MET A 7 -1.729 -2.806 16.317 1.00 23.24 H new ATOM 130 N ASP A 8 3.896 -0.832 14.304 1.00 74.22 N ATOM 131 CA ASP A 8 4.743 0.364 14.293 1.00 12.41 C ATOM 132 C ASP A 8 4.535 1.193 13.011 1.00 15.25 C ATOM 133 O ASP A 8 4.072 0.686 11.988 1.00 43.04 O ATOM 134 CB ASP A 8 6.214 -0.030 14.468 1.00 51.35 C ATOM 135 CG ASP A 8 6.657 -1.105 13.490 1.00 41.40 C ATOM 136 OD1 ASP A 8 6.532 -2.304 13.822 1.00 21.25 O ATOM 137 OD2 ASP A 8 7.148 -0.759 12.401 1.00 23.43 O ATOM 0 H ASP A 8 3.862 -1.328 13.414 1.00 74.22 H new ATOM 0 HA ASP A 8 4.452 0.996 15.132 1.00 12.41 H new ATOM 0 HB2 ASP A 8 6.840 0.853 14.338 1.00 51.35 H new ATOM 0 HB3 ASP A 8 6.371 -0.385 15.487 1.00 51.35 H new ATOM 142 N THR A 9 4.872 2.480 13.082 1.00 34.33 N ATOM 143 CA THR A 9 4.632 3.420 11.975 1.00 44.14 C ATOM 144 C THR A 9 5.884 3.565 11.074 1.00 0.00 C ATOM 145 O THR A 9 6.950 3.051 11.400 1.00 53.53 O ATOM 146 CB THR A 9 4.187 4.806 12.529 1.00 13.13 C ATOM 147 OG1 THR A 9 3.162 4.622 13.518 1.00 52.04 O ATOM 148 CG2 THR A 9 3.636 5.716 11.434 1.00 74.40 C ATOM 0 H THR A 9 5.315 2.903 13.898 1.00 34.33 H new ATOM 0 HA THR A 9 3.829 3.016 11.359 1.00 44.14 H new ATOM 0 HB THR A 9 5.070 5.278 12.959 1.00 13.13 H new ATOM 0 HG1 THR A 9 2.884 5.494 13.867 1.00 52.04 H new ATOM 0 HG21 THR A 9 3.339 6.670 11.869 1.00 74.40 H new ATOM 0 HG22 THR A 9 4.405 5.885 10.680 1.00 74.40 H new ATOM 0 HG23 THR A 9 2.770 5.244 10.970 1.00 74.40 H new ATOM 156 N ILE A 10 5.741 4.292 9.957 1.00 11.43 N ATOM 157 CA ILE A 10 6.760 4.370 8.889 1.00 5.42 C ATOM 158 C ILE A 10 8.222 4.508 9.384 1.00 51.34 C ATOM 159 O ILE A 10 9.114 3.829 8.868 1.00 62.14 O ATOM 160 CB ILE A 10 6.415 5.516 7.903 1.00 21.24 C ATOM 161 CG1 ILE A 10 5.022 5.259 7.292 1.00 1.44 C ATOM 162 CG2 ILE A 10 7.481 5.638 6.810 1.00 1.12 C ATOM 163 CD1 ILE A 10 4.572 6.306 6.296 1.00 73.33 C ATOM 0 H ILE A 10 4.909 4.849 9.763 1.00 11.43 H new ATOM 0 HA ILE A 10 6.721 3.405 8.384 1.00 5.42 H new ATOM 0 HB ILE A 10 6.397 6.461 8.445 1.00 21.24 H new ATOM 0 HG12 ILE A 10 5.029 4.286 6.800 1.00 1.44 H new ATOM 0 HG13 ILE A 10 4.290 5.204 8.098 1.00 1.44 H new ATOM 0 HG21 ILE A 10 7.215 6.449 6.132 1.00 1.12 H new ATOM 0 HG22 ILE A 10 8.448 5.849 7.267 1.00 1.12 H new ATOM 0 HG23 ILE A 10 7.539 4.703 6.253 1.00 1.12 H new ATOM 0 HD11 ILE A 10 3.584 6.047 5.917 1.00 73.33 H new ATOM 0 HD12 ILE A 10 4.529 7.279 6.785 1.00 73.33 H new ATOM 0 HD13 ILE A 10 5.279 6.348 5.467 1.00 73.33 H new ATOM 175 N SER A 11 8.477 5.366 10.370 1.00 62.34 N ATOM 176 CA SER A 11 9.849 5.543 10.900 1.00 72.44 C ATOM 177 C SER A 11 10.447 4.228 11.436 1.00 60.42 C ATOM 178 O SER A 11 11.647 3.988 11.320 1.00 4.55 O ATOM 179 CB SER A 11 9.880 6.594 12.021 1.00 14.33 C ATOM 180 OG SER A 11 9.590 7.895 11.532 1.00 34.51 O ATOM 0 H SER A 11 7.770 5.947 10.820 1.00 62.34 H new ATOM 0 HA SER A 11 10.454 5.881 10.059 1.00 72.44 H new ATOM 0 HB2 SER A 11 9.157 6.326 12.791 1.00 14.33 H new ATOM 0 HB3 SER A 11 10.863 6.594 12.493 1.00 14.33 H new ATOM 0 HG SER A 11 9.270 7.833 10.608 1.00 34.51 H new ATOM 186 N LYS A 12 9.601 3.379 12.012 1.00 24.51 N ATOM 187 CA LYS A 12 10.059 2.160 12.699 1.00 55.42 C ATOM 188 C LYS A 12 10.000 0.908 11.808 1.00 41.23 C ATOM 189 O LYS A 12 10.401 -0.174 12.238 1.00 43.44 O ATOM 190 CB LYS A 12 9.208 1.933 13.956 1.00 35.11 C ATOM 191 CG LYS A 12 9.298 3.062 14.980 1.00 13.42 C ATOM 192 CD LYS A 12 10.718 3.234 15.512 1.00 12.52 C ATOM 193 CE LYS A 12 11.207 1.987 16.244 1.00 45.32 C ATOM 194 NZ LYS A 12 12.601 2.141 16.740 1.00 35.44 N ATOM 0 H LYS A 12 8.589 3.507 12.020 1.00 24.51 H new ATOM 0 HA LYS A 12 11.105 2.315 12.962 1.00 55.42 H new ATOM 0 HB2 LYS A 12 8.167 1.808 13.659 1.00 35.11 H new ATOM 0 HB3 LYS A 12 9.519 1.002 14.429 1.00 35.11 H new ATOM 0 HG2 LYS A 12 8.966 3.994 14.523 1.00 13.42 H new ATOM 0 HG3 LYS A 12 8.622 2.855 15.809 1.00 13.42 H new ATOM 0 HD2 LYS A 12 11.391 3.456 14.684 1.00 12.52 H new ATOM 0 HD3 LYS A 12 10.751 4.088 16.188 1.00 12.52 H new ATOM 0 HE2 LYS A 12 10.545 1.777 17.084 1.00 45.32 H new ATOM 0 HE3 LYS A 12 11.154 1.129 15.574 1.00 45.32 H new ATOM 0 HZ1 LYS A 12 12.893 1.272 17.231 1.00 35.44 H new ATOM 0 HZ2 LYS A 12 13.238 2.316 15.937 1.00 35.44 H new ATOM 0 HZ3 LYS A 12 12.648 2.943 17.400 1.00 35.44 H new ATOM 208 N LEU A 13 9.506 1.051 10.578 1.00 44.41 N ATOM 209 CA LEU A 13 9.359 -0.095 9.664 1.00 63.33 C ATOM 210 C LEU A 13 10.682 -0.846 9.461 1.00 43.13 C ATOM 211 O LEU A 13 11.581 -0.366 8.765 1.00 73.43 O ATOM 212 CB LEU A 13 8.823 0.361 8.301 1.00 32.54 C ATOM 213 CG LEU A 13 7.464 1.065 8.329 1.00 60.11 C ATOM 214 CD1 LEU A 13 7.005 1.400 6.916 1.00 1.34 C ATOM 215 CD2 LEU A 13 6.423 0.222 9.056 1.00 74.41 C ATOM 0 H LEU A 13 9.201 1.942 10.188 1.00 44.41 H new ATOM 0 HA LEU A 13 8.647 -0.776 10.130 1.00 63.33 H new ATOM 0 HB2 LEU A 13 9.552 1.034 7.850 1.00 32.54 H new ATOM 0 HB3 LEU A 13 8.748 -0.510 7.650 1.00 32.54 H new ATOM 0 HG LEU A 13 7.578 1.998 8.881 1.00 60.11 H new ATOM 0 HD11 LEU A 13 6.037 1.900 6.957 1.00 1.34 H new ATOM 0 HD12 LEU A 13 7.734 2.058 6.443 1.00 1.34 H new ATOM 0 HD13 LEU A 13 6.915 0.482 6.335 1.00 1.34 H new ATOM 0 HD21 LEU A 13 5.468 0.747 9.060 1.00 74.41 H new ATOM 0 HD22 LEU A 13 6.309 -0.735 8.546 1.00 74.41 H new ATOM 0 HD23 LEU A 13 6.747 0.050 10.082 1.00 74.41 H new ATOM 227 N GLU A 14 10.793 -2.025 10.060 1.00 23.20 N ATOM 228 CA GLU A 14 11.988 -2.854 9.914 1.00 63.00 C ATOM 229 C GLU A 14 11.936 -3.677 8.620 1.00 42.01 C ATOM 230 O GLU A 14 10.899 -4.244 8.270 1.00 53.22 O ATOM 231 CB GLU A 14 12.140 -3.786 11.126 1.00 62.42 C ATOM 232 CG GLU A 14 13.333 -4.733 11.040 1.00 50.25 C ATOM 233 CD GLU A 14 13.462 -5.634 12.261 1.00 71.23 C ATOM 234 OE1 GLU A 14 13.962 -5.162 13.301 1.00 73.03 O ATOM 235 OE2 GLU A 14 13.081 -6.822 12.181 1.00 4.11 O ATOM 0 H GLU A 14 10.070 -2.431 10.653 1.00 23.20 H new ATOM 0 HA GLU A 14 12.853 -2.192 9.862 1.00 63.00 H new ATOM 0 HB2 GLU A 14 12.236 -3.180 12.027 1.00 62.42 H new ATOM 0 HB3 GLU A 14 11.229 -4.375 11.234 1.00 62.42 H new ATOM 0 HG2 GLU A 14 13.237 -5.351 10.147 1.00 50.25 H new ATOM 0 HG3 GLU A 14 14.247 -4.149 10.927 1.00 50.25 H new ATOM 242 N GLU A 15 13.059 -3.726 7.905 1.00 30.13 N ATOM 243 CA GLU A 15 13.166 -4.521 6.681 1.00 12.30 C ATOM 244 C GLU A 15 12.979 -6.026 6.969 1.00 4.15 C ATOM 245 O GLU A 15 13.933 -6.754 7.256 1.00 73.34 O ATOM 246 CB GLU A 15 14.510 -4.237 5.982 1.00 73.55 C ATOM 247 CG GLU A 15 15.735 -4.359 6.888 1.00 1.24 C ATOM 248 CD GLU A 15 17.012 -3.875 6.211 1.00 41.34 C ATOM 249 OE1 GLU A 15 17.594 -4.637 5.410 1.00 1.02 O ATOM 250 OE2 GLU A 15 17.432 -2.725 6.469 1.00 3.34 O ATOM 0 H GLU A 15 13.911 -3.223 8.153 1.00 30.13 H new ATOM 0 HA GLU A 15 12.362 -4.228 6.006 1.00 12.30 H new ATOM 0 HB2 GLU A 15 14.623 -4.927 5.145 1.00 73.55 H new ATOM 0 HB3 GLU A 15 14.482 -3.231 5.564 1.00 73.55 H new ATOM 0 HG2 GLU A 15 15.569 -3.782 7.798 1.00 1.24 H new ATOM 0 HG3 GLU A 15 15.859 -5.399 7.188 1.00 1.24 H new ATOM 257 N GLY A 16 11.724 -6.472 6.902 1.00 44.31 N ATOM 258 CA GLY A 16 11.376 -7.851 7.235 1.00 71.42 C ATOM 259 C GLY A 16 10.242 -7.949 8.256 1.00 73.34 C ATOM 260 O GLY A 16 9.835 -9.045 8.644 1.00 50.13 O ATOM 0 H GLY A 16 10.931 -5.896 6.619 1.00 44.31 H new ATOM 0 HA2 GLY A 16 11.086 -8.377 6.325 1.00 71.42 H new ATOM 0 HA3 GLY A 16 12.257 -8.358 7.629 1.00 71.42 H new ATOM 264 N ALA A 17 9.727 -6.799 8.684 1.00 60.23 N ATOM 265 CA ALA A 17 8.671 -6.737 9.702 1.00 15.42 C ATOM 266 C ALA A 17 7.263 -6.795 9.093 1.00 74.04 C ATOM 267 O ALA A 17 7.072 -6.565 7.896 1.00 44.12 O ATOM 268 CB ALA A 17 8.824 -5.464 10.527 1.00 21.32 C ATOM 0 H ALA A 17 10.025 -5.886 8.340 1.00 60.23 H new ATOM 0 HA ALA A 17 8.784 -7.614 10.340 1.00 15.42 H new ATOM 0 HB1 ALA A 17 8.038 -5.422 11.281 1.00 21.32 H new ATOM 0 HB2 ALA A 17 9.798 -5.463 11.017 1.00 21.32 H new ATOM 0 HB3 ALA A 17 8.746 -4.595 9.873 1.00 21.32 H new ATOM 274 N GLU A 18 6.277 -7.104 9.935 1.00 2.33 N ATOM 275 CA GLU A 18 4.870 -7.114 9.524 1.00 61.11 C ATOM 276 C GLU A 18 4.046 -6.183 10.423 1.00 21.34 C ATOM 277 O GLU A 18 3.820 -6.480 11.595 1.00 73.33 O ATOM 278 CB GLU A 18 4.313 -8.543 9.589 1.00 33.11 C ATOM 279 CG GLU A 18 2.857 -8.666 9.149 1.00 62.11 C ATOM 280 CD GLU A 18 2.352 -10.098 9.205 1.00 54.35 C ATOM 281 OE1 GLU A 18 2.620 -10.864 8.255 1.00 2.05 O ATOM 282 OE2 GLU A 18 1.703 -10.468 10.207 1.00 64.44 O ATOM 0 H GLU A 18 6.427 -7.353 10.913 1.00 2.33 H new ATOM 0 HA GLU A 18 4.802 -6.755 8.497 1.00 61.11 H new ATOM 0 HB2 GLU A 18 4.927 -9.189 8.961 1.00 33.11 H new ATOM 0 HB3 GLU A 18 4.405 -8.911 10.611 1.00 33.11 H new ATOM 0 HG2 GLU A 18 2.234 -8.039 9.787 1.00 62.11 H new ATOM 0 HG3 GLU A 18 2.755 -8.287 8.132 1.00 62.11 H new ATOM 289 N THR A 19 3.601 -5.060 9.863 1.00 1.52 N ATOM 290 CA THR A 19 2.888 -4.031 10.637 1.00 72.45 C ATOM 291 C THR A 19 1.906 -3.229 9.769 1.00 35.43 C ATOM 292 O THR A 19 2.105 -3.094 8.561 1.00 32.13 O ATOM 293 CB THR A 19 3.883 -3.041 11.293 1.00 43.50 C ATOM 294 OG1 THR A 19 3.179 -1.931 11.874 1.00 43.43 O ATOM 295 CG2 THR A 19 4.901 -2.530 10.281 1.00 45.22 C ATOM 0 H THR A 19 3.719 -4.834 8.875 1.00 1.52 H new ATOM 0 HA THR A 19 2.327 -4.563 11.405 1.00 72.45 H new ATOM 0 HB THR A 19 4.416 -3.579 12.077 1.00 43.50 H new ATOM 0 HG1 THR A 19 3.638 -1.096 11.644 1.00 43.43 H new ATOM 0 HG21 THR A 19 5.585 -1.837 10.771 1.00 45.22 H new ATOM 0 HG22 THR A 19 5.464 -3.370 9.875 1.00 45.22 H new ATOM 0 HG23 THR A 19 4.383 -2.016 9.471 1.00 45.22 H new ATOM 303 N PRO A 20 0.816 -2.703 10.371 1.00 22.55 N ATOM 304 CA PRO A 20 -0.072 -1.742 9.697 1.00 52.12 C ATOM 305 C PRO A 20 0.558 -0.336 9.588 1.00 55.23 C ATOM 306 O PRO A 20 1.162 0.162 10.538 1.00 23.34 O ATOM 307 CB PRO A 20 -1.310 -1.713 10.600 1.00 41.41 C ATOM 308 CG PRO A 20 -0.798 -2.070 11.956 1.00 22.41 C ATOM 309 CD PRO A 20 0.349 -3.023 11.738 1.00 43.15 C ATOM 0 HA PRO A 20 -0.286 -2.033 8.669 1.00 52.12 H new ATOM 0 HB2 PRO A 20 -1.777 -0.728 10.600 1.00 41.41 H new ATOM 0 HB3 PRO A 20 -2.064 -2.424 10.262 1.00 41.41 H new ATOM 0 HG2 PRO A 20 -0.468 -1.181 12.493 1.00 22.41 H new ATOM 0 HG3 PRO A 20 -1.580 -2.534 12.557 1.00 22.41 H new ATOM 0 HD2 PRO A 20 1.138 -2.875 12.475 1.00 43.15 H new ATOM 0 HD3 PRO A 20 0.028 -4.061 11.819 1.00 43.15 H new ATOM 317 N VAL A 21 0.383 0.309 8.437 1.00 34.31 N ATOM 318 CA VAL A 21 0.993 1.618 8.175 1.00 53.31 C ATOM 319 C VAL A 21 -0.069 2.674 7.819 1.00 64.33 C ATOM 320 O VAL A 21 -0.986 2.416 7.036 1.00 4.31 O ATOM 321 CB VAL A 21 2.035 1.530 7.024 1.00 62.32 C ATOM 322 CG1 VAL A 21 3.175 0.577 7.385 1.00 33.44 C ATOM 323 CG2 VAL A 21 1.368 1.097 5.714 1.00 3.32 C ATOM 0 H VAL A 21 -0.178 -0.052 7.666 1.00 34.31 H new ATOM 0 HA VAL A 21 1.497 1.922 9.093 1.00 53.31 H new ATOM 0 HB VAL A 21 2.457 2.525 6.882 1.00 62.32 H new ATOM 0 HG11 VAL A 21 3.889 0.535 6.562 1.00 33.44 H new ATOM 0 HG12 VAL A 21 3.678 0.935 8.283 1.00 33.44 H new ATOM 0 HG13 VAL A 21 2.772 -0.419 7.567 1.00 33.44 H new ATOM 0 HG21 VAL A 21 2.118 1.043 4.925 1.00 3.32 H new ATOM 0 HG22 VAL A 21 0.909 0.117 5.846 1.00 3.32 H new ATOM 0 HG23 VAL A 21 0.603 1.822 5.438 1.00 3.32 H new ATOM 333 N THR A 22 0.052 3.859 8.408 1.00 11.35 N ATOM 334 CA THR A 22 -0.889 4.957 8.141 1.00 24.34 C ATOM 335 C THR A 22 -0.230 6.049 7.289 1.00 0.03 C ATOM 336 O THR A 22 0.988 6.226 7.339 1.00 44.45 O ATOM 337 CB THR A 22 -1.400 5.601 9.455 1.00 32.24 C ATOM 338 OG1 THR A 22 -1.725 4.586 10.418 1.00 45.23 O ATOM 339 CG2 THR A 22 -2.637 6.459 9.195 1.00 10.25 C ATOM 0 H THR A 22 0.789 4.090 9.074 1.00 11.35 H new ATOM 0 HA THR A 22 -1.731 4.524 7.602 1.00 24.34 H new ATOM 0 HB THR A 22 -0.603 6.233 9.847 1.00 32.24 H new ATOM 0 HG1 THR A 22 -2.044 5.008 11.243 1.00 45.23 H new ATOM 0 HG21 THR A 22 -2.977 6.900 10.132 1.00 10.25 H new ATOM 0 HG22 THR A 22 -2.388 7.252 8.490 1.00 10.25 H new ATOM 0 HG23 THR A 22 -3.430 5.838 8.778 1.00 10.25 H new ATOM 347 N GLY A 23 -1.024 6.774 6.504 1.00 72.53 N ATOM 348 CA GLY A 23 -0.474 7.879 5.728 1.00 72.31 C ATOM 349 C GLY A 23 -1.501 8.606 4.862 1.00 65.04 C ATOM 350 O GLY A 23 -2.535 8.046 4.492 1.00 32.34 O ATOM 0 H GLY A 23 -2.026 6.621 6.390 1.00 72.53 H new ATOM 0 HA2 GLY A 23 -0.018 8.596 6.410 1.00 72.31 H new ATOM 0 HA3 GLY A 23 0.321 7.498 5.087 1.00 72.31 H new ATOM 354 N ARG A 24 -1.202 9.862 4.543 1.00 3.12 N ATOM 355 CA ARG A 24 -2.026 10.663 3.635 1.00 43.31 C ATOM 356 C ARG A 24 -1.699 10.334 2.169 1.00 41.50 C ATOM 357 O ARG A 24 -0.570 10.541 1.719 1.00 73.22 O ATOM 358 CB ARG A 24 -1.781 12.157 3.895 1.00 43.23 C ATOM 359 CG ARG A 24 -2.228 12.631 5.276 1.00 75.30 C ATOM 360 CD ARG A 24 -1.773 14.061 5.563 1.00 43.33 C ATOM 361 NE ARG A 24 -0.324 14.149 5.760 1.00 0.55 N ATOM 362 CZ ARG A 24 0.379 15.240 5.602 1.00 11.22 C ATOM 363 NH1 ARG A 24 -0.174 16.332 5.187 1.00 35.32 N ATOM 364 NH2 ARG A 24 1.647 15.232 5.861 1.00 0.41 N ATOM 0 H ARG A 24 -0.385 10.354 4.904 1.00 3.12 H new ATOM 0 HA ARG A 24 -3.074 10.426 3.819 1.00 43.31 H new ATOM 0 HB2 ARG A 24 -0.718 12.366 3.778 1.00 43.23 H new ATOM 0 HB3 ARG A 24 -2.305 12.738 3.136 1.00 43.23 H new ATOM 0 HG2 ARG A 24 -3.314 12.575 5.345 1.00 75.30 H new ATOM 0 HG3 ARG A 24 -1.826 11.962 6.037 1.00 75.30 H new ATOM 0 HD2 ARG A 24 -2.066 14.707 4.735 1.00 43.33 H new ATOM 0 HD3 ARG A 24 -2.283 14.432 6.452 1.00 43.33 H new ATOM 0 HE ARG A 24 0.170 13.302 6.039 1.00 0.55 H new ATOM 0 HH11 ARG A 24 -1.172 16.351 4.978 1.00 35.32 H new ATOM 0 HH12 ARG A 24 0.388 17.175 5.069 1.00 35.32 H new ATOM 0 HH21 ARG A 24 2.095 14.376 6.187 1.00 0.41 H new ATOM 0 HH22 ARG A 24 2.198 16.082 5.739 1.00 0.41 H new ATOM 378 N VAL A 25 -2.683 9.824 1.429 1.00 24.15 N ATOM 379 CA VAL A 25 -2.483 9.468 0.018 1.00 62.03 C ATOM 380 C VAL A 25 -2.126 10.701 -0.825 1.00 5.45 C ATOM 381 O VAL A 25 -2.926 11.626 -0.971 1.00 5.41 O ATOM 382 CB VAL A 25 -3.739 8.791 -0.588 1.00 42.51 C ATOM 383 CG1 VAL A 25 -3.511 8.444 -2.059 1.00 24.11 C ATOM 384 CG2 VAL A 25 -4.119 7.544 0.205 1.00 74.24 C ATOM 0 H VAL A 25 -3.625 9.647 1.778 1.00 24.15 H new ATOM 0 HA VAL A 25 -1.654 8.761 -0.006 1.00 62.03 H new ATOM 0 HB VAL A 25 -4.566 9.498 -0.528 1.00 42.51 H new ATOM 0 HG11 VAL A 25 -4.405 7.970 -2.464 1.00 24.11 H new ATOM 0 HG12 VAL A 25 -3.298 9.355 -2.619 1.00 24.11 H new ATOM 0 HG13 VAL A 25 -2.667 7.760 -2.145 1.00 24.11 H new ATOM 0 HG21 VAL A 25 -5.003 7.086 -0.239 1.00 74.24 H new ATOM 0 HG22 VAL A 25 -3.293 6.833 0.184 1.00 74.24 H new ATOM 0 HG23 VAL A 25 -4.333 7.821 1.237 1.00 74.24 H new ATOM 394 N MET A 26 -0.910 10.713 -1.358 1.00 41.14 N ATOM 395 CA MET A 26 -0.453 11.805 -2.221 1.00 12.21 C ATOM 396 C MET A 26 -0.625 11.437 -3.701 1.00 34.23 C ATOM 397 O MET A 26 -1.343 12.111 -4.442 1.00 44.10 O ATOM 398 CB MET A 26 1.016 12.132 -1.917 1.00 10.00 C ATOM 399 CG MET A 26 1.583 13.285 -2.738 1.00 0.21 C ATOM 400 SD MET A 26 3.293 13.663 -2.306 1.00 13.54 S ATOM 401 CE MET A 26 4.074 12.076 -2.600 1.00 54.24 C ATOM 0 H MET A 26 -0.218 9.978 -1.209 1.00 41.14 H new ATOM 0 HA MET A 26 -1.061 12.687 -2.019 1.00 12.21 H new ATOM 0 HB2 MET A 26 1.111 12.373 -0.858 1.00 10.00 H new ATOM 0 HB3 MET A 26 1.619 11.242 -2.096 1.00 10.00 H new ATOM 0 HG2 MET A 26 1.526 13.035 -3.797 1.00 0.21 H new ATOM 0 HG3 MET A 26 0.968 14.172 -2.586 1.00 0.21 H new ATOM 0 HE1 MET A 26 5.145 12.219 -2.744 1.00 54.24 H new ATOM 0 HE2 MET A 26 3.907 11.424 -1.743 1.00 54.24 H new ATOM 0 HE3 MET A 26 3.645 11.619 -3.492 1.00 54.24 H new ATOM 411 N LYS A 27 0.033 10.356 -4.123 1.00 2.14 N ATOM 412 CA LYS A 27 -0.028 9.897 -5.517 1.00 40.21 C ATOM 413 C LYS A 27 -0.418 8.416 -5.599 1.00 75.10 C ATOM 414 O LYS A 27 0.030 7.600 -4.789 1.00 30.24 O ATOM 415 CB LYS A 27 1.330 10.094 -6.212 1.00 72.32 C ATOM 416 CG LYS A 27 1.787 11.547 -6.323 1.00 11.41 C ATOM 417 CD LYS A 27 0.712 12.432 -6.949 1.00 2.24 C ATOM 418 CE LYS A 27 1.260 13.788 -7.376 1.00 72.33 C ATOM 419 NZ LYS A 27 2.312 13.663 -8.422 1.00 25.24 N ATOM 0 H LYS A 27 0.617 9.778 -3.519 1.00 2.14 H new ATOM 0 HA LYS A 27 -0.789 10.493 -6.021 1.00 40.21 H new ATOM 0 HB2 LYS A 27 2.087 9.530 -5.666 1.00 72.32 H new ATOM 0 HB3 LYS A 27 1.275 9.667 -7.214 1.00 72.32 H new ATOM 0 HG2 LYS A 27 2.038 11.926 -5.332 1.00 11.41 H new ATOM 0 HG3 LYS A 27 2.695 11.598 -6.924 1.00 11.41 H new ATOM 0 HD2 LYS A 27 0.285 11.925 -7.815 1.00 2.24 H new ATOM 0 HD3 LYS A 27 -0.098 12.578 -6.234 1.00 2.24 H new ATOM 0 HE2 LYS A 27 0.445 14.405 -7.754 1.00 72.33 H new ATOM 0 HE3 LYS A 27 1.672 14.302 -6.508 1.00 72.33 H new ATOM 0 HZ1 LYS A 27 2.404 14.565 -8.931 1.00 25.24 H new ATOM 0 HZ2 LYS A 27 3.220 13.424 -7.974 1.00 25.24 H new ATOM 0 HZ3 LYS A 27 2.048 12.912 -9.092 1.00 25.24 H new ATOM 433 N ILE A 28 -1.252 8.070 -6.579 1.00 55.30 N ATOM 434 CA ILE A 28 -1.594 6.671 -6.847 1.00 53.45 C ATOM 435 C ILE A 28 -1.179 6.276 -8.273 1.00 74.20 C ATOM 436 O ILE A 28 -1.850 6.623 -9.247 1.00 40.31 O ATOM 437 CB ILE A 28 -3.115 6.411 -6.669 1.00 24.23 C ATOM 438 CG1 ILE A 28 -3.561 6.754 -5.237 1.00 73.30 C ATOM 439 CG2 ILE A 28 -3.465 4.961 -7.010 1.00 35.13 C ATOM 440 CD1 ILE A 28 -5.044 6.556 -4.995 1.00 14.03 C ATOM 0 H ILE A 28 -1.704 8.739 -7.202 1.00 55.30 H new ATOM 0 HA ILE A 28 -1.049 6.063 -6.125 1.00 53.45 H new ATOM 0 HB ILE A 28 -3.652 7.061 -7.360 1.00 24.23 H new ATOM 0 HG12 ILE A 28 -3.002 6.136 -4.534 1.00 73.30 H new ATOM 0 HG13 ILE A 28 -3.303 7.791 -5.025 1.00 73.30 H new ATOM 0 HG21 ILE A 28 -4.536 4.804 -6.877 1.00 35.13 H new ATOM 0 HG22 ILE A 28 -3.194 4.755 -8.045 1.00 35.13 H new ATOM 0 HG23 ILE A 28 -2.916 4.289 -6.350 1.00 35.13 H new ATOM 0 HD11 ILE A 28 -5.283 6.818 -3.964 1.00 14.03 H new ATOM 0 HD12 ILE A 28 -5.612 7.194 -5.672 1.00 14.03 H new ATOM 0 HD13 ILE A 28 -5.306 5.513 -5.174 1.00 14.03 H new ATOM 452 N SER A 29 -0.068 5.558 -8.398 1.00 4.42 N ATOM 453 CA SER A 29 0.385 5.058 -9.701 1.00 51.32 C ATOM 454 C SER A 29 -0.508 3.901 -10.160 1.00 44.11 C ATOM 455 O SER A 29 -0.514 2.832 -9.548 1.00 2.42 O ATOM 456 CB SER A 29 1.851 4.598 -9.632 1.00 10.35 C ATOM 457 OG SER A 29 2.726 5.668 -9.290 1.00 3.52 O ATOM 0 H SER A 29 0.538 5.307 -7.617 1.00 4.42 H new ATOM 0 HA SER A 29 0.315 5.872 -10.423 1.00 51.32 H new ATOM 0 HB2 SER A 29 1.947 3.800 -8.895 1.00 10.35 H new ATOM 0 HB3 SER A 29 2.147 4.180 -10.595 1.00 10.35 H new ATOM 0 HG SER A 29 3.648 5.338 -9.254 1.00 3.52 H new ATOM 463 N SER A 30 -1.262 4.127 -11.235 1.00 13.41 N ATOM 464 CA SER A 30 -2.261 3.160 -11.713 1.00 34.13 C ATOM 465 C SER A 30 -1.654 1.758 -11.928 1.00 22.42 C ATOM 466 O SER A 30 -0.498 1.626 -12.344 1.00 14.34 O ATOM 467 CB SER A 30 -2.904 3.667 -13.014 1.00 61.53 C ATOM 468 OG SER A 30 -3.418 4.985 -12.854 1.00 22.23 O ATOM 0 H SER A 30 -1.202 4.976 -11.798 1.00 13.41 H new ATOM 0 HA SER A 30 -3.026 3.068 -10.942 1.00 34.13 H new ATOM 0 HB2 SER A 30 -2.166 3.656 -13.816 1.00 61.53 H new ATOM 0 HB3 SER A 30 -3.708 2.994 -13.312 1.00 61.53 H new ATOM 0 HG SER A 30 -3.820 5.284 -13.696 1.00 22.23 H new ATOM 474 N PRO A 31 -2.437 0.691 -11.649 1.00 33.35 N ATOM 475 CA PRO A 31 -1.965 -0.709 -11.714 1.00 1.22 C ATOM 476 C PRO A 31 -1.276 -1.086 -13.039 1.00 40.43 C ATOM 477 O PRO A 31 -1.823 -0.874 -14.125 1.00 35.12 O ATOM 478 CB PRO A 31 -3.256 -1.540 -11.530 1.00 62.35 C ATOM 479 CG PRO A 31 -4.378 -0.568 -11.707 1.00 71.15 C ATOM 480 CD PRO A 31 -3.849 0.755 -11.238 1.00 64.12 C ATOM 0 HA PRO A 31 -1.200 -0.887 -10.959 1.00 1.22 H new ATOM 0 HB2 PRO A 31 -3.314 -2.345 -12.263 1.00 62.35 H new ATOM 0 HB3 PRO A 31 -3.289 -2.003 -10.544 1.00 62.35 H new ATOM 0 HG2 PRO A 31 -4.690 -0.517 -12.750 1.00 71.15 H new ATOM 0 HG3 PRO A 31 -5.251 -0.868 -11.127 1.00 71.15 H new ATOM 0 HD2 PRO A 31 -4.371 1.590 -11.705 1.00 64.12 H new ATOM 0 HD3 PRO A 31 -3.954 0.876 -10.160 1.00 64.12 H new ATOM 488 N ARG A 32 -0.073 -1.646 -12.931 1.00 60.00 N ATOM 489 CA ARG A 32 0.639 -2.211 -14.079 1.00 34.00 C ATOM 490 C ARG A 32 0.358 -3.717 -14.187 1.00 32.53 C ATOM 491 O ARG A 32 0.561 -4.465 -13.230 1.00 51.34 O ATOM 492 CB ARG A 32 2.154 -1.981 -13.941 1.00 74.35 C ATOM 493 CG ARG A 32 2.977 -2.675 -15.025 1.00 71.04 C ATOM 494 CD ARG A 32 4.479 -2.523 -14.805 1.00 44.13 C ATOM 495 NE ARG A 32 5.249 -3.255 -15.809 1.00 73.22 N ATOM 496 CZ ARG A 32 6.550 -3.338 -15.828 1.00 21.03 C ATOM 497 NH1 ARG A 32 7.266 -2.735 -14.934 1.00 25.51 N ATOM 498 NH2 ARG A 32 7.134 -4.023 -16.758 1.00 12.34 N ATOM 0 H ARG A 32 0.435 -1.722 -12.050 1.00 60.00 H new ATOM 0 HA ARG A 32 0.285 -1.711 -14.981 1.00 34.00 H new ATOM 0 HB2 ARG A 32 2.355 -0.910 -13.973 1.00 74.35 H new ATOM 0 HB3 ARG A 32 2.480 -2.338 -12.964 1.00 74.35 H new ATOM 0 HG2 ARG A 32 2.722 -3.734 -15.048 1.00 71.04 H new ATOM 0 HG3 ARG A 32 2.712 -2.262 -15.998 1.00 71.04 H new ATOM 0 HD2 ARG A 32 4.747 -1.467 -14.840 1.00 44.13 H new ATOM 0 HD3 ARG A 32 4.740 -2.886 -13.811 1.00 44.13 H new ATOM 0 HE ARG A 32 4.732 -3.734 -16.546 1.00 73.22 H new ATOM 0 HH11 ARG A 32 6.813 -2.187 -14.203 1.00 25.51 H new ATOM 0 HH12 ARG A 32 8.283 -2.808 -14.961 1.00 25.51 H new ATOM 0 HH21 ARG A 32 6.577 -4.494 -17.471 1.00 12.34 H new ATOM 0 HH22 ARG A 32 8.151 -4.092 -16.778 1.00 12.34 H new ATOM 512 N THR A 33 -0.111 -4.154 -15.351 1.00 74.44 N ATOM 513 CA THR A 33 -0.466 -5.562 -15.563 1.00 50.23 C ATOM 514 C THR A 33 0.718 -6.367 -16.115 1.00 64.42 C ATOM 515 O THR A 33 1.436 -5.909 -17.007 1.00 3.11 O ATOM 516 CB THR A 33 -1.665 -5.710 -16.538 1.00 33.33 C ATOM 517 OG1 THR A 33 -2.743 -4.847 -16.139 1.00 75.45 O ATOM 518 CG2 THR A 33 -2.169 -7.152 -16.575 1.00 64.51 C ATOM 0 H THR A 33 -0.256 -3.557 -16.165 1.00 74.44 H new ATOM 0 HA THR A 33 -0.746 -5.955 -14.586 1.00 50.23 H new ATOM 0 HB THR A 33 -1.318 -5.430 -17.533 1.00 33.33 H new ATOM 0 HG1 THR A 33 -3.492 -4.949 -16.763 1.00 75.45 H new ATOM 0 HG21 THR A 33 -3.009 -7.226 -17.266 1.00 64.51 H new ATOM 0 HG22 THR A 33 -1.366 -7.810 -16.908 1.00 64.51 H new ATOM 0 HG23 THR A 33 -2.492 -7.450 -15.578 1.00 64.51 H new ATOM 526 N PHE A 34 0.917 -7.567 -15.575 1.00 72.52 N ATOM 527 CA PHE A 34 1.965 -8.478 -16.045 1.00 23.42 C ATOM 528 C PHE A 34 1.413 -9.905 -16.166 1.00 32.00 C ATOM 529 O PHE A 34 0.527 -10.303 -15.411 1.00 60.55 O ATOM 530 CB PHE A 34 3.181 -8.446 -15.099 1.00 3.55 C ATOM 531 CG PHE A 34 2.880 -8.865 -13.679 1.00 23.12 C ATOM 532 CD1 PHE A 34 2.935 -10.203 -13.307 1.00 25.54 C ATOM 533 CD2 PHE A 34 2.548 -7.921 -12.715 1.00 22.55 C ATOM 534 CE1 PHE A 34 2.663 -10.589 -12.009 1.00 61.31 C ATOM 535 CE2 PHE A 34 2.279 -8.305 -11.415 1.00 14.34 C ATOM 536 CZ PHE A 34 2.334 -9.638 -11.063 1.00 14.02 C ATOM 0 H PHE A 34 0.361 -7.936 -14.804 1.00 72.52 H new ATOM 0 HA PHE A 34 2.294 -8.147 -17.030 1.00 23.42 H new ATOM 0 HB2 PHE A 34 3.956 -9.099 -15.501 1.00 3.55 H new ATOM 0 HB3 PHE A 34 3.590 -7.436 -15.088 1.00 3.55 H new ATOM 0 HD1 PHE A 34 3.194 -10.951 -14.042 1.00 25.54 H new ATOM 0 HD2 PHE A 34 2.500 -6.876 -12.984 1.00 22.55 H new ATOM 0 HE1 PHE A 34 2.708 -11.633 -11.734 1.00 61.31 H new ATOM 0 HE2 PHE A 34 2.026 -7.561 -10.674 1.00 14.34 H new ATOM 0 HZ PHE A 34 2.120 -9.938 -10.048 1.00 14.02 H new ATOM 546 N THR A 35 1.939 -10.680 -17.107 1.00 63.40 N ATOM 547 CA THR A 35 1.454 -12.048 -17.326 1.00 53.55 C ATOM 548 C THR A 35 2.142 -13.043 -16.385 1.00 55.13 C ATOM 549 O THR A 35 3.345 -13.291 -16.490 1.00 3.23 O ATOM 550 CB THR A 35 1.660 -12.496 -18.794 1.00 23.00 C ATOM 551 OG1 THR A 35 0.949 -11.612 -19.679 1.00 0.11 O ATOM 552 CG2 THR A 35 1.178 -13.929 -19.015 1.00 4.11 C ATOM 0 H THR A 35 2.695 -10.393 -17.729 1.00 63.40 H new ATOM 0 HA THR A 35 0.386 -12.040 -17.110 1.00 53.55 H new ATOM 0 HB THR A 35 2.728 -12.457 -19.007 1.00 23.00 H new ATOM 0 HG1 THR A 35 1.084 -11.899 -20.606 1.00 0.11 H new ATOM 0 HG21 THR A 35 1.338 -14.210 -20.056 1.00 4.11 H new ATOM 0 HG22 THR A 35 1.736 -14.605 -18.367 1.00 4.11 H new ATOM 0 HG23 THR A 35 0.116 -13.996 -18.780 1.00 4.11 H new ATOM 560 N THR A 36 1.365 -13.593 -15.453 1.00 71.43 N ATOM 561 CA THR A 36 1.879 -14.556 -14.467 1.00 73.20 C ATOM 562 C THR A 36 1.645 -16.010 -14.907 1.00 71.40 C ATOM 563 O THR A 36 0.906 -16.278 -15.859 1.00 71.55 O ATOM 564 CB THR A 36 1.227 -14.349 -13.075 1.00 50.14 C ATOM 565 OG1 THR A 36 1.689 -15.351 -12.151 1.00 44.43 O ATOM 566 CG2 THR A 36 -0.296 -14.402 -13.164 1.00 61.13 C ATOM 0 H THR A 36 0.370 -13.389 -15.356 1.00 71.43 H new ATOM 0 HA THR A 36 2.951 -14.372 -14.398 1.00 73.20 H new ATOM 0 HB THR A 36 1.520 -13.362 -12.717 1.00 50.14 H new ATOM 0 HG1 THR A 36 1.271 -15.207 -11.276 1.00 44.43 H new ATOM 0 HG21 THR A 36 -0.724 -14.254 -12.172 1.00 61.13 H new ATOM 0 HG22 THR A 36 -0.649 -13.617 -13.833 1.00 61.13 H new ATOM 0 HG23 THR A 36 -0.604 -15.373 -13.551 1.00 61.13 H new ATOM 574 N ARG A 37 2.270 -16.942 -14.190 1.00 31.41 N ATOM 575 CA ARG A 37 2.151 -18.376 -14.486 1.00 11.34 C ATOM 576 C ARG A 37 0.823 -18.959 -13.970 1.00 33.00 C ATOM 577 O ARG A 37 0.480 -20.108 -14.258 1.00 21.53 O ATOM 578 CB ARG A 37 3.329 -19.131 -13.858 1.00 5.32 C ATOM 579 CG ARG A 37 3.368 -19.051 -12.333 1.00 74.10 C ATOM 580 CD ARG A 37 4.644 -19.665 -11.768 1.00 10.42 C ATOM 581 NE ARG A 37 5.835 -18.940 -12.209 1.00 31.00 N ATOM 582 CZ ARG A 37 7.052 -19.400 -12.124 1.00 53.03 C ATOM 583 NH1 ARG A 37 7.287 -20.573 -11.627 1.00 35.42 N ATOM 584 NH2 ARG A 37 8.042 -18.682 -12.541 1.00 54.04 N ATOM 0 H ARG A 37 2.870 -16.731 -13.392 1.00 31.41 H new ATOM 0 HA ARG A 37 2.167 -18.496 -15.569 1.00 11.34 H new ATOM 0 HB2 ARG A 37 3.278 -20.178 -14.157 1.00 5.32 H new ATOM 0 HB3 ARG A 37 4.260 -18.730 -14.258 1.00 5.32 H new ATOM 0 HG2 ARG A 37 3.297 -18.009 -12.021 1.00 74.10 H new ATOM 0 HG3 ARG A 37 2.502 -19.567 -11.919 1.00 74.10 H new ATOM 0 HD2 ARG A 37 4.598 -19.661 -10.679 1.00 10.42 H new ATOM 0 HD3 ARG A 37 4.716 -20.707 -12.080 1.00 10.42 H new ATOM 0 HE ARG A 37 5.705 -18.011 -12.610 1.00 31.00 H new ATOM 0 HH11 ARG A 37 6.514 -21.151 -11.296 1.00 35.42 H new ATOM 0 HH12 ARG A 37 8.245 -20.919 -11.567 1.00 35.42 H new ATOM 0 HH21 ARG A 37 7.871 -17.757 -12.936 1.00 54.04 H new ATOM 0 HH22 ARG A 37 8.995 -19.040 -12.475 1.00 54.04 H new ATOM 598 N LYS A 38 0.094 -18.163 -13.193 1.00 51.23 N ATOM 599 CA LYS A 38 -1.214 -18.566 -12.662 1.00 71.21 C ATOM 600 C LYS A 38 -2.348 -18.084 -13.589 1.00 2.12 C ATOM 601 O LYS A 38 -2.131 -17.231 -14.451 1.00 51.12 O ATOM 602 CB LYS A 38 -1.395 -17.980 -11.247 1.00 55.35 C ATOM 603 CG LYS A 38 -2.634 -18.482 -10.504 1.00 21.02 C ATOM 604 CD LYS A 38 -2.570 -19.984 -10.229 1.00 25.25 C ATOM 605 CE LYS A 38 -1.415 -20.349 -9.299 1.00 35.32 C ATOM 606 NZ LYS A 38 -1.345 -21.812 -9.044 1.00 1.44 N ATOM 0 H LYS A 38 0.386 -17.227 -12.913 1.00 51.23 H new ATOM 0 HA LYS A 38 -1.257 -19.654 -12.611 1.00 71.21 H new ATOM 0 HB2 LYS A 38 -0.511 -18.216 -10.654 1.00 55.35 H new ATOM 0 HB3 LYS A 38 -1.447 -16.894 -11.322 1.00 55.35 H new ATOM 0 HG2 LYS A 38 -2.733 -17.945 -9.561 1.00 21.02 H new ATOM 0 HG3 LYS A 38 -3.524 -18.259 -11.092 1.00 21.02 H new ATOM 0 HD2 LYS A 38 -3.510 -20.311 -9.785 1.00 25.25 H new ATOM 0 HD3 LYS A 38 -2.459 -20.520 -11.171 1.00 25.25 H new ATOM 0 HE2 LYS A 38 -0.476 -20.012 -9.738 1.00 35.32 H new ATOM 0 HE3 LYS A 38 -1.531 -19.821 -8.352 1.00 35.32 H new ATOM 0 HZ1 LYS A 38 -0.547 -22.016 -8.408 1.00 1.44 H new ATOM 0 HZ2 LYS A 38 -2.231 -22.130 -8.601 1.00 1.44 H new ATOM 0 HZ3 LYS A 38 -1.208 -22.315 -9.944 1.00 1.44 H new ATOM 620 N GLY A 39 -3.556 -18.625 -13.407 1.00 54.53 N ATOM 621 CA GLY A 39 -4.711 -18.187 -14.195 1.00 51.21 C ATOM 622 C GLY A 39 -5.223 -16.791 -13.820 1.00 74.24 C ATOM 623 O GLY A 39 -6.279 -16.363 -14.290 1.00 32.12 O ATOM 0 H GLY A 39 -3.759 -19.359 -12.728 1.00 54.53 H new ATOM 0 HA2 GLY A 39 -4.442 -18.193 -15.251 1.00 51.21 H new ATOM 0 HA3 GLY A 39 -5.520 -18.907 -14.068 1.00 51.21 H new ATOM 627 N ARG A 40 -4.484 -16.087 -12.966 1.00 72.23 N ATOM 628 CA ARG A 40 -4.830 -14.718 -12.563 1.00 32.04 C ATOM 629 C ARG A 40 -4.241 -13.684 -13.538 1.00 61.02 C ATOM 630 O ARG A 40 -3.265 -13.960 -14.235 1.00 10.24 O ATOM 631 CB ARG A 40 -4.331 -14.459 -11.135 1.00 72.44 C ATOM 632 CG ARG A 40 -5.234 -15.054 -10.056 1.00 14.14 C ATOM 633 CD ARG A 40 -4.688 -14.815 -8.650 1.00 74.43 C ATOM 634 NE ARG A 40 -5.745 -14.835 -7.639 1.00 53.11 N ATOM 635 CZ ARG A 40 -6.312 -15.909 -7.159 1.00 44.34 C ATOM 636 NH1 ARG A 40 -5.967 -17.088 -7.563 1.00 43.04 N ATOM 637 NH2 ARG A 40 -7.230 -15.796 -6.256 1.00 71.04 N ATOM 0 H ARG A 40 -3.632 -16.443 -12.533 1.00 72.23 H new ATOM 0 HA ARG A 40 -5.915 -14.613 -12.589 1.00 32.04 H new ATOM 0 HB2 ARG A 40 -3.329 -14.874 -11.028 1.00 72.44 H new ATOM 0 HB3 ARG A 40 -4.249 -13.384 -10.977 1.00 72.44 H new ATOM 0 HG2 ARG A 40 -6.229 -14.617 -10.136 1.00 14.14 H new ATOM 0 HG3 ARG A 40 -5.341 -16.125 -10.225 1.00 14.14 H new ATOM 0 HD2 ARG A 40 -3.947 -15.579 -8.414 1.00 74.43 H new ATOM 0 HD3 ARG A 40 -4.175 -13.854 -8.619 1.00 74.43 H new ATOM 0 HE ARG A 40 -6.066 -13.936 -7.279 1.00 53.11 H new ATOM 0 HH11 ARG A 40 -5.239 -17.192 -8.270 1.00 43.04 H new ATOM 0 HH12 ARG A 40 -6.423 -17.914 -7.175 1.00 43.04 H new ATOM 0 HH21 ARG A 40 -7.507 -14.872 -5.923 1.00 71.04 H new ATOM 0 HH22 ARG A 40 -7.677 -16.630 -5.876 1.00 71.04 H new ATOM 651 N GLU A 41 -4.845 -12.496 -13.582 1.00 24.54 N ATOM 652 CA GLU A 41 -4.421 -11.429 -14.506 1.00 70.10 C ATOM 653 C GLU A 41 -2.974 -10.964 -14.248 1.00 72.23 C ATOM 654 O GLU A 41 -2.193 -10.806 -15.186 1.00 51.31 O ATOM 655 CB GLU A 41 -5.381 -10.232 -14.402 1.00 70.13 C ATOM 656 CG GLU A 41 -5.516 -9.680 -12.984 1.00 2.24 C ATOM 657 CD GLU A 41 -6.408 -8.451 -12.880 1.00 13.44 C ATOM 658 OE1 GLU A 41 -7.015 -8.049 -13.899 1.00 34.32 O ATOM 659 OE2 GLU A 41 -6.504 -7.883 -11.773 1.00 13.41 O ATOM 0 H GLU A 41 -5.634 -12.242 -12.988 1.00 24.54 H new ATOM 0 HA GLU A 41 -4.452 -11.845 -15.513 1.00 70.10 H new ATOM 0 HB2 GLU A 41 -5.031 -9.437 -15.061 1.00 70.13 H new ATOM 0 HB3 GLU A 41 -6.365 -10.533 -14.761 1.00 70.13 H new ATOM 0 HG2 GLU A 41 -5.915 -10.462 -12.337 1.00 2.24 H new ATOM 0 HG3 GLU A 41 -4.525 -9.430 -12.607 1.00 2.24 H new ATOM 666 N GLY A 42 -2.632 -10.742 -12.975 1.00 20.52 N ATOM 667 CA GLY A 42 -1.302 -10.252 -12.621 1.00 31.43 C ATOM 668 C GLY A 42 -1.186 -8.730 -12.708 1.00 11.54 C ATOM 669 O GLY A 42 -1.142 -8.167 -13.797 1.00 31.25 O ATOM 0 H GLY A 42 -3.254 -10.893 -12.181 1.00 20.52 H new ATOM 0 HA2 GLY A 42 -1.060 -10.572 -11.608 1.00 31.43 H new ATOM 0 HA3 GLY A 42 -0.565 -10.706 -13.283 1.00 31.43 H new ATOM 673 N LYS A 43 -1.142 -8.059 -11.554 1.00 32.31 N ATOM 674 CA LYS A 43 -1.035 -6.587 -11.501 1.00 20.11 C ATOM 675 C LYS A 43 -0.271 -6.111 -10.260 1.00 73.11 C ATOM 676 O LYS A 43 -0.241 -6.790 -9.232 1.00 51.52 O ATOM 677 CB LYS A 43 -2.425 -5.923 -11.510 1.00 40.34 C ATOM 678 CG LYS A 43 -3.158 -6.000 -12.845 1.00 40.42 C ATOM 679 CD LYS A 43 -4.545 -5.368 -12.762 1.00 1.02 C ATOM 680 CE LYS A 43 -5.196 -5.245 -14.132 1.00 40.31 C ATOM 681 NZ LYS A 43 -6.614 -4.815 -14.035 1.00 2.43 N ATOM 0 H LYS A 43 -1.179 -8.507 -10.638 1.00 32.31 H new ATOM 0 HA LYS A 43 -0.482 -6.291 -12.392 1.00 20.11 H new ATOM 0 HB2 LYS A 43 -3.042 -6.393 -10.744 1.00 40.34 H new ATOM 0 HB3 LYS A 43 -2.314 -4.875 -11.232 1.00 40.34 H new ATOM 0 HG2 LYS A 43 -2.572 -5.494 -13.612 1.00 40.42 H new ATOM 0 HG3 LYS A 43 -3.250 -7.042 -13.151 1.00 40.42 H new ATOM 0 HD2 LYS A 43 -5.180 -5.970 -12.111 1.00 1.02 H new ATOM 0 HD3 LYS A 43 -4.467 -4.381 -12.307 1.00 1.02 H new ATOM 0 HE2 LYS A 43 -4.640 -4.528 -14.735 1.00 40.31 H new ATOM 0 HE3 LYS A 43 -5.142 -6.204 -14.647 1.00 40.31 H new ATOM 0 HZ1 LYS A 43 -7.021 -4.743 -14.989 1.00 2.43 H new ATOM 0 HZ2 LYS A 43 -7.151 -5.512 -13.481 1.00 2.43 H new ATOM 0 HZ3 LYS A 43 -6.664 -3.888 -13.567 1.00 2.43 H new ATOM 695 N LEU A 44 0.347 -4.935 -10.377 1.00 64.30 N ATOM 696 CA LEU A 44 1.002 -4.270 -9.247 1.00 22.45 C ATOM 697 C LEU A 44 0.804 -2.745 -9.328 1.00 32.51 C ATOM 698 O LEU A 44 0.898 -2.155 -10.402 1.00 55.45 O ATOM 699 CB LEU A 44 2.501 -4.653 -9.197 1.00 24.24 C ATOM 700 CG LEU A 44 3.337 -4.370 -10.471 1.00 5.15 C ATOM 701 CD1 LEU A 44 3.823 -2.920 -10.520 1.00 42.41 C ATOM 702 CD2 LEU A 44 4.523 -5.333 -10.562 1.00 33.14 C ATOM 0 H LEU A 44 0.408 -4.417 -11.254 1.00 64.30 H new ATOM 0 HA LEU A 44 0.541 -4.609 -8.319 1.00 22.45 H new ATOM 0 HB2 LEU A 44 2.960 -4.121 -8.364 1.00 24.24 H new ATOM 0 HB3 LEU A 44 2.572 -5.717 -8.973 1.00 24.24 H new ATOM 0 HG LEU A 44 2.686 -4.530 -11.331 1.00 5.15 H new ATOM 0 HD11 LEU A 44 4.405 -2.762 -11.428 1.00 42.41 H new ATOM 0 HD12 LEU A 44 2.965 -2.248 -10.518 1.00 42.41 H new ATOM 0 HD13 LEU A 44 4.446 -2.715 -9.649 1.00 42.41 H new ATOM 0 HD21 LEU A 44 5.098 -5.118 -11.463 1.00 33.14 H new ATOM 0 HD22 LEU A 44 5.161 -5.209 -9.687 1.00 33.14 H new ATOM 0 HD23 LEU A 44 4.157 -6.359 -10.601 1.00 33.14 H new ATOM 714 N ALA A 45 0.492 -2.116 -8.199 1.00 23.33 N ATOM 715 CA ALA A 45 0.255 -0.666 -8.161 1.00 63.20 C ATOM 716 C ALA A 45 1.069 0.015 -7.053 1.00 30.10 C ATOM 717 O ALA A 45 1.203 -0.517 -5.953 1.00 10.25 O ATOM 718 CB ALA A 45 -1.232 -0.386 -7.969 1.00 43.24 C ATOM 0 H ALA A 45 0.396 -2.582 -7.297 1.00 23.33 H new ATOM 0 HA ALA A 45 0.583 -0.250 -9.114 1.00 63.20 H new ATOM 0 HB1 ALA A 45 -1.399 0.691 -7.942 1.00 43.24 H new ATOM 0 HB2 ALA A 45 -1.794 -0.820 -8.796 1.00 43.24 H new ATOM 0 HB3 ALA A 45 -1.568 -0.829 -7.031 1.00 43.24 H new ATOM 724 N ASN A 46 1.605 1.197 -7.349 1.00 14.53 N ATOM 725 CA ASN A 46 2.397 1.952 -6.369 1.00 44.03 C ATOM 726 C ASN A 46 1.587 3.124 -5.785 1.00 61.52 C ATOM 727 O ASN A 46 1.303 4.101 -6.478 1.00 15.35 O ATOM 728 CB ASN A 46 3.678 2.484 -7.025 1.00 5.43 C ATOM 729 CG ASN A 46 4.601 1.371 -7.487 1.00 74.13 C ATOM 730 OD1 ASN A 46 5.504 0.957 -6.768 1.00 1.31 O ATOM 731 ND2 ASN A 46 4.376 0.868 -8.686 1.00 15.11 N ATOM 0 H ASN A 46 1.508 1.655 -8.255 1.00 14.53 H new ATOM 0 HA ASN A 46 2.659 1.276 -5.555 1.00 44.03 H new ATOM 0 HB2 ASN A 46 3.413 3.109 -7.878 1.00 5.43 H new ATOM 0 HB3 ASN A 46 4.208 3.120 -6.316 1.00 5.43 H new ATOM 0 HD21 ASN A 46 4.962 0.112 -9.040 1.00 15.11 H new ATOM 0 HD22 ASN A 46 3.616 1.235 -9.259 1.00 15.11 H new ATOM 738 N VAL A 47 1.225 3.023 -4.508 1.00 43.13 N ATOM 739 CA VAL A 47 0.490 4.094 -3.820 1.00 65.31 C ATOM 740 C VAL A 47 1.379 4.773 -2.765 1.00 72.14 C ATOM 741 O VAL A 47 1.850 4.132 -1.826 1.00 54.45 O ATOM 742 CB VAL A 47 -0.797 3.555 -3.145 1.00 14.03 C ATOM 743 CG1 VAL A 47 -1.535 4.667 -2.398 1.00 22.13 C ATOM 744 CG2 VAL A 47 -1.709 2.898 -4.181 1.00 31.42 C ATOM 0 H VAL A 47 1.427 2.211 -3.924 1.00 43.13 H new ATOM 0 HA VAL A 47 0.204 4.827 -4.574 1.00 65.31 H new ATOM 0 HB VAL A 47 -0.506 2.801 -2.414 1.00 14.03 H new ATOM 0 HG11 VAL A 47 -2.434 4.260 -1.935 1.00 22.13 H new ATOM 0 HG12 VAL A 47 -0.885 5.081 -1.627 1.00 22.13 H new ATOM 0 HG13 VAL A 47 -1.813 5.454 -3.099 1.00 22.13 H new ATOM 0 HG21 VAL A 47 -2.608 2.525 -3.690 1.00 31.42 H new ATOM 0 HG22 VAL A 47 -1.987 3.631 -4.938 1.00 31.42 H new ATOM 0 HG23 VAL A 47 -1.184 2.069 -4.654 1.00 31.42 H new ATOM 754 N ILE A 48 1.610 6.072 -2.933 1.00 72.52 N ATOM 755 CA ILE A 48 2.498 6.823 -2.041 1.00 2.35 C ATOM 756 C ILE A 48 1.712 7.563 -0.947 1.00 50.50 C ATOM 757 O ILE A 48 0.966 8.505 -1.230 1.00 65.43 O ATOM 758 CB ILE A 48 3.349 7.846 -2.836 1.00 3.12 C ATOM 759 CG1 ILE A 48 4.038 7.160 -4.030 1.00 74.24 C ATOM 760 CG2 ILE A 48 4.379 8.514 -1.924 1.00 61.42 C ATOM 761 CD1 ILE A 48 4.908 5.981 -3.645 1.00 22.44 C ATOM 0 H ILE A 48 1.195 6.630 -3.679 1.00 72.52 H new ATOM 0 HA ILE A 48 3.156 6.095 -1.567 1.00 2.35 H new ATOM 0 HB ILE A 48 2.687 8.620 -3.223 1.00 3.12 H new ATOM 0 HG12 ILE A 48 3.275 6.822 -4.731 1.00 74.24 H new ATOM 0 HG13 ILE A 48 4.650 7.894 -4.554 1.00 74.24 H new ATOM 0 HG21 ILE A 48 4.966 9.229 -2.501 1.00 61.42 H new ATOM 0 HG22 ILE A 48 3.866 9.035 -1.116 1.00 61.42 H new ATOM 0 HG23 ILE A 48 5.040 7.755 -1.505 1.00 61.42 H new ATOM 0 HD11 ILE A 48 5.358 5.553 -4.541 1.00 22.44 H new ATOM 0 HD12 ILE A 48 5.695 6.315 -2.968 1.00 22.44 H new ATOM 0 HD13 ILE A 48 4.299 5.226 -3.148 1.00 22.44 H new ATOM 773 N ILE A 49 1.885 7.129 0.300 1.00 35.31 N ATOM 774 CA ILE A 49 1.224 7.760 1.450 1.00 61.04 C ATOM 775 C ILE A 49 2.245 8.479 2.349 1.00 21.25 C ATOM 776 O ILE A 49 3.334 7.964 2.595 1.00 60.25 O ATOM 777 CB ILE A 49 0.437 6.718 2.293 1.00 52.42 C ATOM 778 CG1 ILE A 49 1.367 5.590 2.784 1.00 4.42 C ATOM 779 CG2 ILE A 49 -0.730 6.147 1.487 1.00 23.12 C ATOM 780 CD1 ILE A 49 0.675 4.542 3.636 1.00 11.45 C ATOM 0 H ILE A 49 2.481 6.338 0.545 1.00 35.31 H new ATOM 0 HA ILE A 49 0.521 8.492 1.052 1.00 61.04 H new ATOM 0 HB ILE A 49 0.033 7.225 3.169 1.00 52.42 H new ATOM 0 HG12 ILE A 49 1.815 5.101 1.919 1.00 4.42 H new ATOM 0 HG13 ILE A 49 2.182 6.030 3.359 1.00 4.42 H new ATOM 0 HG21 ILE A 49 -1.269 5.419 2.093 1.00 23.12 H new ATOM 0 HG22 ILE A 49 -1.405 6.954 1.203 1.00 23.12 H new ATOM 0 HG23 ILE A 49 -0.349 5.660 0.590 1.00 23.12 H new ATOM 0 HD11 ILE A 49 1.398 3.785 3.940 1.00 11.45 H new ATOM 0 HD12 ILE A 49 0.251 5.015 4.521 1.00 11.45 H new ATOM 0 HD13 ILE A 49 -0.121 4.072 3.059 1.00 11.45 H new ATOM 792 N ALA A 50 1.897 9.669 2.840 1.00 61.20 N ATOM 793 CA ALA A 50 2.816 10.453 3.680 1.00 5.04 C ATOM 794 C ALA A 50 2.248 10.692 5.090 1.00 23.13 C ATOM 795 O ALA A 50 1.162 11.255 5.255 1.00 41.15 O ATOM 796 CB ALA A 50 3.140 11.783 3.002 1.00 54.25 C ATOM 0 H ALA A 50 0.993 10.112 2.675 1.00 61.20 H new ATOM 0 HA ALA A 50 3.733 9.875 3.795 1.00 5.04 H new ATOM 0 HB1 ALA A 50 3.821 12.356 3.632 1.00 54.25 H new ATOM 0 HB2 ALA A 50 3.610 11.594 2.037 1.00 54.25 H new ATOM 0 HB3 ALA A 50 2.220 12.349 2.853 1.00 54.25 H new ATOM 802 N ASP A 51 3.002 10.265 6.099 1.00 64.01 N ATOM 803 CA ASP A 51 2.614 10.417 7.507 1.00 64.10 C ATOM 804 C ASP A 51 3.584 11.366 8.244 1.00 24.20 C ATOM 805 O ASP A 51 4.607 11.783 7.690 1.00 34.21 O ATOM 806 CB ASP A 51 2.597 9.029 8.175 1.00 43.03 C ATOM 807 CG ASP A 51 2.242 9.073 9.654 1.00 11.02 C ATOM 808 OD1 ASP A 51 1.068 9.344 9.987 1.00 3.01 O ATOM 809 OD2 ASP A 51 3.147 8.870 10.488 1.00 11.42 O ATOM 0 H ASP A 51 3.902 9.802 5.968 1.00 64.01 H new ATOM 0 HA ASP A 51 1.618 10.858 7.561 1.00 64.10 H new ATOM 0 HB2 ASP A 51 1.880 8.393 7.656 1.00 43.03 H new ATOM 0 HB3 ASP A 51 3.577 8.566 8.058 1.00 43.03 H new ATOM 814 N ASP A 52 3.254 11.711 9.490 1.00 71.25 N ATOM 815 CA ASP A 52 4.116 12.561 10.323 1.00 65.35 C ATOM 816 C ASP A 52 5.516 11.949 10.507 1.00 12.32 C ATOM 817 O ASP A 52 6.494 12.666 10.731 1.00 25.40 O ATOM 818 CB ASP A 52 3.471 12.782 11.695 1.00 33.52 C ATOM 819 CG ASP A 52 2.130 13.489 11.601 1.00 72.03 C ATOM 820 OD1 ASP A 52 1.098 12.802 11.448 1.00 74.05 O ATOM 821 OD2 ASP A 52 2.102 14.735 11.676 1.00 43.04 O ATOM 0 H ASP A 52 2.393 11.415 9.949 1.00 71.25 H new ATOM 0 HA ASP A 52 4.228 13.515 9.809 1.00 65.35 H new ATOM 0 HB2 ASP A 52 3.337 11.820 12.189 1.00 33.52 H new ATOM 0 HB3 ASP A 52 4.145 13.369 12.319 1.00 33.52 H new ATOM 826 N THR A 53 5.597 10.625 10.407 1.00 23.12 N ATOM 827 CA THR A 53 6.860 9.899 10.604 1.00 11.53 C ATOM 828 C THR A 53 7.579 9.578 9.277 1.00 72.31 C ATOM 829 O THR A 53 8.561 8.831 9.262 1.00 55.34 O ATOM 830 CB THR A 53 6.623 8.573 11.372 1.00 11.34 C ATOM 831 OG1 THR A 53 5.818 7.677 10.589 1.00 52.42 O ATOM 832 CG2 THR A 53 5.942 8.829 12.714 1.00 73.02 C ATOM 0 H THR A 53 4.801 10.025 10.190 1.00 23.12 H new ATOM 0 HA THR A 53 7.498 10.564 11.186 1.00 11.53 H new ATOM 0 HB THR A 53 7.596 8.118 11.556 1.00 11.34 H new ATOM 0 HG1 THR A 53 4.902 8.021 10.537 1.00 52.42 H new ATOM 0 HG21 THR A 53 5.788 7.882 13.231 1.00 73.02 H new ATOM 0 HG22 THR A 53 6.572 9.477 13.324 1.00 73.02 H new ATOM 0 HG23 THR A 53 4.979 9.312 12.547 1.00 73.02 H new ATOM 840 N GLY A 54 7.107 10.148 8.167 1.00 44.15 N ATOM 841 CA GLY A 54 7.717 9.869 6.861 1.00 2.51 C ATOM 842 C GLY A 54 6.709 9.380 5.823 1.00 2.24 C ATOM 843 O GLY A 54 5.559 9.102 6.154 1.00 1.33 O ATOM 0 H GLY A 54 6.319 10.795 8.142 1.00 44.15 H new ATOM 0 HA2 GLY A 54 8.201 10.773 6.492 1.00 2.51 H new ATOM 0 HA3 GLY A 54 8.497 9.118 6.984 1.00 2.51 H new ATOM 847 N GLU A 55 7.125 9.310 4.556 1.00 20.35 N ATOM 848 CA GLU A 55 6.271 8.749 3.499 1.00 44.14 C ATOM 849 C GLU A 55 6.711 7.326 3.108 1.00 23.34 C ATOM 850 O GLU A 55 7.877 6.954 3.258 1.00 35.31 O ATOM 851 CB GLU A 55 6.211 9.681 2.269 1.00 72.24 C ATOM 852 CG GLU A 55 7.552 10.241 1.789 1.00 31.24 C ATOM 853 CD GLU A 55 8.473 9.208 1.148 1.00 2.40 C ATOM 854 OE1 GLU A 55 8.022 8.481 0.234 1.00 75.11 O ATOM 855 OE2 GLU A 55 9.665 9.154 1.534 1.00 42.22 O ATOM 0 H GLU A 55 8.039 9.631 4.236 1.00 20.35 H new ATOM 0 HA GLU A 55 5.261 8.675 3.903 1.00 44.14 H new ATOM 0 HB2 GLU A 55 5.752 9.135 1.445 1.00 72.24 H new ATOM 0 HB3 GLU A 55 5.553 10.518 2.503 1.00 72.24 H new ATOM 0 HG2 GLU A 55 7.363 11.037 1.069 1.00 31.24 H new ATOM 0 HG3 GLU A 55 8.067 10.693 2.636 1.00 31.24 H new ATOM 862 N LEU A 56 5.762 6.532 2.617 1.00 52.54 N ATOM 863 CA LEU A 56 6.008 5.118 2.309 1.00 5.12 C ATOM 864 C LEU A 56 5.416 4.722 0.945 1.00 11.33 C ATOM 865 O LEU A 56 4.431 5.310 0.485 1.00 32.43 O ATOM 866 CB LEU A 56 5.393 4.233 3.406 1.00 65.01 C ATOM 867 CG LEU A 56 5.689 2.727 3.284 1.00 74.04 C ATOM 868 CD1 LEU A 56 7.157 2.441 3.574 1.00 2.31 C ATOM 869 CD2 LEU A 56 4.785 1.913 4.209 1.00 33.14 C ATOM 0 H LEU A 56 4.810 6.842 2.422 1.00 52.54 H new ATOM 0 HA LEU A 56 7.087 4.970 2.267 1.00 5.12 H new ATOM 0 HB2 LEU A 56 5.755 4.580 4.374 1.00 65.01 H new ATOM 0 HB3 LEU A 56 4.312 4.375 3.400 1.00 65.01 H new ATOM 0 HG LEU A 56 5.478 2.425 2.258 1.00 74.04 H new ATOM 0 HD11 LEU A 56 7.344 1.371 3.482 1.00 2.31 H new ATOM 0 HD12 LEU A 56 7.781 2.981 2.861 1.00 2.31 H new ATOM 0 HD13 LEU A 56 7.398 2.766 4.586 1.00 2.31 H new ATOM 0 HD21 LEU A 56 5.015 0.853 4.103 1.00 33.14 H new ATOM 0 HD22 LEU A 56 4.952 2.219 5.242 1.00 33.14 H new ATOM 0 HD23 LEU A 56 3.742 2.086 3.943 1.00 33.14 H new ATOM 881 N ARG A 57 6.018 3.715 0.309 1.00 35.24 N ATOM 882 CA ARG A 57 5.511 3.180 -0.959 1.00 60.22 C ATOM 883 C ARG A 57 4.731 1.872 -0.742 1.00 72.22 C ATOM 884 O ARG A 57 5.311 0.828 -0.440 1.00 23.50 O ATOM 885 CB ARG A 57 6.672 2.944 -1.938 1.00 53.23 C ATOM 886 CG ARG A 57 6.235 2.423 -3.306 1.00 40.34 C ATOM 887 CD ARG A 57 7.413 2.310 -4.270 1.00 63.42 C ATOM 888 NE ARG A 57 8.060 3.604 -4.499 1.00 32.21 N ATOM 889 CZ ARG A 57 8.755 3.906 -5.561 1.00 60.33 C ATOM 890 NH1 ARG A 57 8.896 3.051 -6.527 1.00 11.42 N ATOM 891 NH2 ARG A 57 9.296 5.077 -5.657 1.00 4.12 N ATOM 0 H ARG A 57 6.860 3.252 0.651 1.00 35.24 H new ATOM 0 HA ARG A 57 4.827 3.915 -1.383 1.00 60.22 H new ATOM 0 HB2 ARG A 57 7.215 3.879 -2.073 1.00 53.23 H new ATOM 0 HB3 ARG A 57 7.368 2.232 -1.495 1.00 53.23 H new ATOM 0 HG2 ARG A 57 5.765 1.447 -3.190 1.00 40.34 H new ATOM 0 HG3 ARG A 57 5.483 3.091 -3.727 1.00 40.34 H new ATOM 0 HD2 ARG A 57 8.142 1.606 -3.870 1.00 63.42 H new ATOM 0 HD3 ARG A 57 7.066 1.905 -5.221 1.00 63.42 H new ATOM 0 HE ARG A 57 7.960 4.319 -3.778 1.00 32.21 H new ATOM 0 HH11 ARG A 57 8.461 2.131 -6.461 1.00 11.42 H new ATOM 0 HH12 ARG A 57 9.442 3.299 -7.352 1.00 11.42 H new ATOM 0 HH21 ARG A 57 9.178 5.757 -4.906 1.00 4.12 H new ATOM 0 HH22 ARG A 57 9.841 5.321 -6.484 1.00 4.12 H new ATOM 905 N ALA A 58 3.409 1.940 -0.882 1.00 22.25 N ATOM 906 CA ALA A 58 2.550 0.759 -0.744 1.00 33.11 C ATOM 907 C ALA A 58 2.382 0.032 -2.089 1.00 24.40 C ATOM 908 O ALA A 58 2.100 0.658 -3.112 1.00 52.35 O ATOM 909 CB ALA A 58 1.191 1.165 -0.191 1.00 10.32 C ATOM 0 H ALA A 58 2.905 2.802 -1.092 1.00 22.25 H new ATOM 0 HA ALA A 58 3.029 0.070 -0.048 1.00 33.11 H new ATOM 0 HB1 ALA A 58 0.560 0.282 -0.092 1.00 10.32 H new ATOM 0 HB2 ALA A 58 1.320 1.630 0.786 1.00 10.32 H new ATOM 0 HB3 ALA A 58 0.719 1.874 -0.871 1.00 10.32 H new ATOM 915 N VAL A 59 2.552 -1.289 -2.082 1.00 53.34 N ATOM 916 CA VAL A 59 2.441 -2.098 -3.301 1.00 24.43 C ATOM 917 C VAL A 59 1.124 -2.896 -3.333 1.00 13.14 C ATOM 918 O VAL A 59 0.955 -3.876 -2.603 1.00 54.20 O ATOM 919 CB VAL A 59 3.635 -3.082 -3.436 1.00 2.25 C ATOM 920 CG1 VAL A 59 3.555 -3.861 -4.751 1.00 50.31 C ATOM 921 CG2 VAL A 59 4.968 -2.337 -3.324 1.00 13.43 C ATOM 0 H VAL A 59 2.768 -1.827 -1.243 1.00 53.34 H new ATOM 0 HA VAL A 59 2.453 -1.402 -4.140 1.00 24.43 H new ATOM 0 HB VAL A 59 3.577 -3.798 -2.617 1.00 2.25 H new ATOM 0 HG11 VAL A 59 4.402 -4.543 -4.822 1.00 50.31 H new ATOM 0 HG12 VAL A 59 2.626 -4.431 -4.780 1.00 50.31 H new ATOM 0 HG13 VAL A 59 3.579 -3.164 -5.589 1.00 50.31 H new ATOM 0 HG21 VAL A 59 5.790 -3.046 -3.421 1.00 13.43 H new ATOM 0 HG22 VAL A 59 5.036 -1.591 -4.116 1.00 13.43 H new ATOM 0 HG23 VAL A 59 5.028 -1.843 -2.354 1.00 13.43 H new ATOM 931 N PHE A 60 0.193 -2.465 -4.183 1.00 0.32 N ATOM 932 CA PHE A 60 -1.091 -3.155 -4.347 1.00 3.32 C ATOM 933 C PHE A 60 -1.030 -4.177 -5.492 1.00 12.45 C ATOM 934 O PHE A 60 -1.040 -3.818 -6.670 1.00 14.13 O ATOM 935 CB PHE A 60 -2.218 -2.141 -4.609 1.00 74.13 C ATOM 936 CG PHE A 60 -2.625 -1.341 -3.394 1.00 41.14 C ATOM 937 CD1 PHE A 60 -1.749 -0.436 -2.810 1.00 44.24 C ATOM 938 CD2 PHE A 60 -3.890 -1.492 -2.839 1.00 14.43 C ATOM 939 CE1 PHE A 60 -2.127 0.298 -1.699 1.00 42.34 C ATOM 940 CE2 PHE A 60 -4.270 -0.761 -1.730 1.00 13.13 C ATOM 941 CZ PHE A 60 -3.387 0.134 -1.159 1.00 0.23 C ATOM 0 H PHE A 60 0.302 -1.639 -4.771 1.00 0.32 H new ATOM 0 HA PHE A 60 -1.301 -3.690 -3.421 1.00 3.32 H new ATOM 0 HB2 PHE A 60 -1.898 -1.454 -5.392 1.00 74.13 H new ATOM 0 HB3 PHE A 60 -3.090 -2.674 -4.988 1.00 74.13 H new ATOM 0 HD1 PHE A 60 -0.762 -0.303 -3.227 1.00 44.24 H new ATOM 0 HD2 PHE A 60 -4.586 -2.190 -3.281 1.00 14.43 H new ATOM 0 HE1 PHE A 60 -1.436 0.999 -1.254 1.00 42.34 H new ATOM 0 HE2 PHE A 60 -5.257 -0.889 -1.310 1.00 13.13 H new ATOM 0 HZ PHE A 60 -3.682 0.705 -0.291 1.00 0.23 H new ATOM 951 N TRP A 61 -0.951 -5.450 -5.124 1.00 65.54 N ATOM 952 CA TRP A 61 -0.946 -6.557 -6.086 1.00 42.11 C ATOM 953 C TRP A 61 -2.357 -6.835 -6.634 1.00 13.50 C ATOM 954 O TRP A 61 -3.344 -6.362 -6.083 1.00 31.01 O ATOM 955 CB TRP A 61 -0.355 -7.818 -5.442 1.00 71.43 C ATOM 956 CG TRP A 61 1.101 -7.673 -5.103 1.00 53.40 C ATOM 957 CD1 TRP A 61 1.646 -7.374 -3.883 1.00 72.31 C ATOM 958 CD2 TRP A 61 2.201 -7.798 -6.013 1.00 50.32 C ATOM 959 NE1 TRP A 61 3.016 -7.317 -3.982 1.00 2.11 N ATOM 960 CE2 TRP A 61 3.379 -7.573 -5.277 1.00 64.12 C ATOM 961 CE3 TRP A 61 2.302 -8.087 -7.376 1.00 32.24 C ATOM 962 CZ2 TRP A 61 4.641 -7.622 -5.861 1.00 33.44 C ATOM 963 CZ3 TRP A 61 3.555 -8.133 -7.955 1.00 54.13 C ATOM 964 CH2 TRP A 61 4.710 -7.903 -7.198 1.00 12.33 C ATOM 0 H TRP A 61 -0.888 -5.749 -4.151 1.00 65.54 H new ATOM 0 HA TRP A 61 -0.319 -6.267 -6.929 1.00 42.11 H new ATOM 0 HB2 TRP A 61 -0.913 -8.052 -4.535 1.00 71.43 H new ATOM 0 HB3 TRP A 61 -0.483 -8.661 -6.121 1.00 71.43 H new ATOM 0 HD1 TRP A 61 1.083 -7.208 -2.977 1.00 72.31 H new ATOM 0 HE1 TRP A 61 3.658 -7.117 -3.215 1.00 2.11 H new ATOM 0 HE3 TRP A 61 1.416 -8.271 -7.966 1.00 32.24 H new ATOM 0 HZ2 TRP A 61 5.534 -7.445 -5.280 1.00 33.44 H new ATOM 0 HZ3 TRP A 61 3.645 -8.350 -9.009 1.00 54.13 H new ATOM 0 HH2 TRP A 61 5.676 -7.948 -7.680 1.00 12.33 H new ATOM 975 N THR A 62 -2.433 -7.560 -7.756 1.00 63.51 N ATOM 976 CA THR A 62 -3.720 -7.925 -8.398 1.00 33.40 C ATOM 977 C THR A 62 -4.831 -8.295 -7.387 1.00 54.21 C ATOM 978 O THR A 62 -6.004 -7.987 -7.604 1.00 15.03 O ATOM 979 CB THR A 62 -3.537 -9.103 -9.388 1.00 2.52 C ATOM 980 OG1 THR A 62 -4.797 -9.495 -9.953 1.00 13.24 O ATOM 981 CG2 THR A 62 -2.892 -10.307 -8.707 1.00 21.34 C ATOM 0 H THR A 62 -1.613 -7.913 -8.250 1.00 63.51 H new ATOM 0 HA THR A 62 -4.038 -7.029 -8.930 1.00 33.40 H new ATOM 0 HB THR A 62 -2.878 -8.756 -10.183 1.00 2.52 H new ATOM 0 HG1 THR A 62 -5.158 -8.759 -10.490 1.00 13.24 H new ATOM 0 HG21 THR A 62 -2.778 -11.116 -9.429 1.00 21.34 H new ATOM 0 HG22 THR A 62 -1.913 -10.025 -8.320 1.00 21.34 H new ATOM 0 HG23 THR A 62 -3.524 -10.642 -7.884 1.00 21.34 H new ATOM 989 N GLU A 63 -4.458 -8.940 -6.283 1.00 20.10 N ATOM 990 CA GLU A 63 -5.425 -9.335 -5.243 1.00 13.42 C ATOM 991 C GLU A 63 -5.924 -8.126 -4.427 1.00 34.20 C ATOM 992 O GLU A 63 -7.044 -8.123 -3.909 1.00 11.22 O ATOM 993 CB GLU A 63 -4.776 -10.358 -4.302 1.00 13.54 C ATOM 994 CG GLU A 63 -4.301 -11.629 -5.001 1.00 61.53 C ATOM 995 CD GLU A 63 -5.433 -12.387 -5.679 1.00 14.35 C ATOM 996 OE1 GLU A 63 -6.054 -13.254 -5.028 1.00 24.43 O ATOM 997 OE2 GLU A 63 -5.710 -12.123 -6.868 1.00 62.33 O ATOM 0 H GLU A 63 -3.494 -9.203 -6.079 1.00 20.10 H new ATOM 0 HA GLU A 63 -6.288 -9.775 -5.742 1.00 13.42 H new ATOM 0 HB2 GLU A 63 -3.927 -9.891 -3.804 1.00 13.54 H new ATOM 0 HB3 GLU A 63 -5.492 -10.628 -3.526 1.00 13.54 H new ATOM 0 HG2 GLU A 63 -3.547 -11.369 -5.744 1.00 61.53 H new ATOM 0 HG3 GLU A 63 -3.819 -12.281 -4.272 1.00 61.53 H new ATOM 1004 N ASN A 64 -5.080 -7.111 -4.305 1.00 11.42 N ATOM 1005 CA ASN A 64 -5.396 -5.911 -3.524 1.00 0.22 C ATOM 1006 C ASN A 64 -5.918 -4.756 -4.392 1.00 64.02 C ATOM 1007 O ASN A 64 -6.273 -3.700 -3.870 1.00 2.34 O ATOM 1008 CB ASN A 64 -4.158 -5.462 -2.757 1.00 64.14 C ATOM 1009 CG ASN A 64 -3.678 -6.530 -1.803 1.00 62.44 C ATOM 1010 OD1 ASN A 64 -2.873 -7.383 -2.160 1.00 41.32 O ATOM 1011 ND2 ASN A 64 -4.168 -6.493 -0.581 1.00 4.23 N ATOM 0 H ASN A 64 -4.158 -7.091 -4.741 1.00 11.42 H new ATOM 0 HA ASN A 64 -6.196 -6.176 -2.833 1.00 0.22 H new ATOM 0 HB2 ASN A 64 -3.362 -5.217 -3.460 1.00 64.14 H new ATOM 0 HB3 ASN A 64 -4.384 -4.552 -2.202 1.00 64.14 H new ATOM 0 HD21 ASN A 64 -3.879 -7.190 0.106 1.00 4.23 H new ATOM 0 HD22 ASN A 64 -4.836 -5.767 -0.321 1.00 4.23 H new ATOM 1018 N ILE A 65 -5.968 -4.947 -5.709 1.00 54.42 N ATOM 1019 CA ILE A 65 -6.521 -3.922 -6.608 1.00 34.14 C ATOM 1020 C ILE A 65 -7.974 -3.584 -6.224 1.00 10.24 C ATOM 1021 O ILE A 65 -8.412 -2.439 -6.338 1.00 51.45 O ATOM 1022 CB ILE A 65 -6.458 -4.360 -8.098 1.00 3.44 C ATOM 1023 CG1 ILE A 65 -5.008 -4.666 -8.509 1.00 54.15 C ATOM 1024 CG2 ILE A 65 -7.056 -3.288 -9.012 1.00 22.24 C ATOM 1025 CD1 ILE A 65 -4.059 -3.492 -8.376 1.00 25.23 C ATOM 0 H ILE A 65 -5.638 -5.790 -6.178 1.00 54.42 H new ATOM 0 HA ILE A 65 -5.903 -3.032 -6.493 1.00 34.14 H new ATOM 0 HB ILE A 65 -7.051 -5.268 -8.207 1.00 3.44 H new ATOM 0 HG12 ILE A 65 -4.636 -5.489 -7.899 1.00 54.15 H new ATOM 0 HG13 ILE A 65 -5.001 -5.008 -9.544 1.00 54.15 H new ATOM 0 HG21 ILE A 65 -6.999 -3.620 -10.048 1.00 22.24 H new ATOM 0 HG22 ILE A 65 -8.098 -3.120 -8.742 1.00 22.24 H new ATOM 0 HG23 ILE A 65 -6.497 -2.359 -8.898 1.00 22.24 H new ATOM 0 HD11 ILE A 65 -3.059 -3.795 -8.686 1.00 25.23 H new ATOM 0 HD12 ILE A 65 -4.402 -2.673 -9.008 1.00 25.23 H new ATOM 0 HD13 ILE A 65 -4.032 -3.162 -7.338 1.00 25.23 H new ATOM 1037 N LYS A 66 -8.701 -4.585 -5.725 1.00 22.02 N ATOM 1038 CA LYS A 66 -10.076 -4.391 -5.243 1.00 43.41 C ATOM 1039 C LYS A 66 -10.146 -3.374 -4.083 1.00 65.03 C ATOM 1040 O LYS A 66 -11.223 -2.883 -3.741 1.00 0.34 O ATOM 1041 CB LYS A 66 -10.682 -5.733 -4.795 1.00 35.55 C ATOM 1042 CG LYS A 66 -9.962 -6.385 -3.610 1.00 61.11 C ATOM 1043 CD LYS A 66 -10.744 -7.581 -3.067 1.00 13.21 C ATOM 1044 CE LYS A 66 -10.086 -8.197 -1.832 1.00 11.30 C ATOM 1045 NZ LYS A 66 -8.836 -8.934 -2.158 1.00 31.40 N ATOM 0 H LYS A 66 -8.362 -5.543 -5.643 1.00 22.02 H new ATOM 0 HA LYS A 66 -10.654 -3.989 -6.075 1.00 43.41 H new ATOM 0 HB2 LYS A 66 -11.727 -5.575 -4.528 1.00 35.55 H new ATOM 0 HB3 LYS A 66 -10.669 -6.424 -5.638 1.00 35.55 H new ATOM 0 HG2 LYS A 66 -8.969 -6.709 -3.920 1.00 61.11 H new ATOM 0 HG3 LYS A 66 -9.824 -5.649 -2.818 1.00 61.11 H new ATOM 0 HD2 LYS A 66 -11.757 -7.266 -2.816 1.00 13.21 H new ATOM 0 HD3 LYS A 66 -10.830 -8.339 -3.846 1.00 13.21 H new ATOM 0 HE2 LYS A 66 -9.862 -7.409 -1.113 1.00 11.30 H new ATOM 0 HE3 LYS A 66 -10.789 -8.877 -1.351 1.00 11.30 H new ATOM 0 HZ1 LYS A 66 -8.268 -9.052 -1.295 1.00 31.40 H new ATOM 0 HZ2 LYS A 66 -9.075 -9.869 -2.546 1.00 31.40 H new ATOM 0 HZ3 LYS A 66 -8.290 -8.397 -2.862 1.00 31.40 H new ATOM 1059 N LEU A 67 -8.999 -3.082 -3.466 1.00 34.42 N ATOM 1060 CA LEU A 67 -8.932 -2.128 -2.349 1.00 22.14 C ATOM 1061 C LEU A 67 -8.731 -0.684 -2.844 1.00 41.05 C ATOM 1062 O LEU A 67 -9.103 0.269 -2.161 1.00 22.24 O ATOM 1063 CB LEU A 67 -7.793 -2.508 -1.389 1.00 60.14 C ATOM 1064 CG LEU A 67 -7.863 -3.931 -0.803 1.00 32.11 C ATOM 1065 CD1 LEU A 67 -6.700 -4.180 0.154 1.00 3.14 C ATOM 1066 CD2 LEU A 67 -9.201 -4.172 -0.103 1.00 14.21 C ATOM 0 H LEU A 67 -8.100 -3.492 -3.719 1.00 34.42 H new ATOM 0 HA LEU A 67 -9.885 -2.176 -1.822 1.00 22.14 H new ATOM 0 HB2 LEU A 67 -6.845 -2.398 -1.916 1.00 60.14 H new ATOM 0 HB3 LEU A 67 -7.784 -1.795 -0.565 1.00 60.14 H new ATOM 0 HG LEU A 67 -7.784 -4.638 -1.629 1.00 32.11 H new ATOM 0 HD11 LEU A 67 -6.770 -5.191 0.556 1.00 3.14 H new ATOM 0 HD12 LEU A 67 -5.757 -4.066 -0.382 1.00 3.14 H new ATOM 0 HD13 LEU A 67 -6.741 -3.461 0.972 1.00 3.14 H new ATOM 0 HD21 LEU A 67 -9.223 -5.184 0.301 1.00 14.21 H new ATOM 0 HD22 LEU A 67 -9.321 -3.454 0.709 1.00 14.21 H new ATOM 0 HD23 LEU A 67 -10.014 -4.050 -0.819 1.00 14.21 H new ATOM 1078 N LEU A 68 -8.152 -0.530 -4.038 1.00 74.20 N ATOM 1079 CA LEU A 68 -7.873 0.799 -4.609 1.00 3.04 C ATOM 1080 C LEU A 68 -9.143 1.656 -4.733 1.00 21.32 C ATOM 1081 O LEU A 68 -9.091 2.881 -4.630 1.00 20.51 O ATOM 1082 CB LEU A 68 -7.208 0.656 -5.989 1.00 31.14 C ATOM 1083 CG LEU A 68 -5.780 0.082 -5.982 1.00 3.50 C ATOM 1084 CD1 LEU A 68 -5.263 -0.107 -7.406 1.00 62.34 C ATOM 1085 CD2 LEU A 68 -4.842 0.989 -5.185 1.00 34.41 C ATOM 0 H LEU A 68 -7.865 -1.308 -4.632 1.00 74.20 H new ATOM 0 HA LEU A 68 -7.195 1.307 -3.923 1.00 3.04 H new ATOM 0 HB2 LEU A 68 -7.835 0.016 -6.610 1.00 31.14 H new ATOM 0 HB3 LEU A 68 -7.184 1.637 -6.464 1.00 31.14 H new ATOM 0 HG LEU A 68 -5.808 -0.895 -5.500 1.00 3.50 H new ATOM 0 HD11 LEU A 68 -4.252 -0.514 -7.375 1.00 62.34 H new ATOM 0 HD12 LEU A 68 -5.915 -0.797 -7.941 1.00 62.34 H new ATOM 0 HD13 LEU A 68 -5.252 0.854 -7.920 1.00 62.34 H new ATOM 0 HD21 LEU A 68 -3.837 0.568 -5.191 1.00 34.41 H new ATOM 0 HD22 LEU A 68 -4.823 1.980 -5.638 1.00 34.41 H new ATOM 0 HD23 LEU A 68 -5.197 1.067 -4.157 1.00 34.41 H new ATOM 1097 N LYS A 69 -10.284 1.008 -4.946 1.00 54.44 N ATOM 1098 CA LYS A 69 -11.555 1.723 -5.114 1.00 20.50 C ATOM 1099 C LYS A 69 -12.167 2.155 -3.770 1.00 33.33 C ATOM 1100 O LYS A 69 -13.140 2.908 -3.738 1.00 64.24 O ATOM 1101 CB LYS A 69 -12.549 0.856 -5.899 1.00 10.04 C ATOM 1102 CG LYS A 69 -12.849 -0.491 -5.252 1.00 24.41 C ATOM 1103 CD LYS A 69 -13.768 -1.361 -6.114 1.00 32.04 C ATOM 1104 CE LYS A 69 -13.070 -1.904 -7.365 1.00 72.40 C ATOM 1105 NZ LYS A 69 -12.733 -0.842 -8.358 1.00 51.21 N ATOM 0 H LYS A 69 -10.360 -0.007 -5.007 1.00 54.44 H new ATOM 0 HA LYS A 69 -11.343 2.633 -5.676 1.00 20.50 H new ATOM 0 HB2 LYS A 69 -13.482 1.407 -6.014 1.00 10.04 H new ATOM 0 HB3 LYS A 69 -12.154 0.686 -6.900 1.00 10.04 H new ATOM 0 HG2 LYS A 69 -11.914 -1.021 -5.073 1.00 24.41 H new ATOM 0 HG3 LYS A 69 -13.314 -0.328 -4.280 1.00 24.41 H new ATOM 0 HD2 LYS A 69 -14.135 -2.196 -5.517 1.00 32.04 H new ATOM 0 HD3 LYS A 69 -14.638 -0.777 -6.414 1.00 32.04 H new ATOM 0 HE2 LYS A 69 -12.156 -2.419 -7.069 1.00 72.40 H new ATOM 0 HE3 LYS A 69 -13.713 -2.645 -7.839 1.00 72.40 H new ATOM 0 HZ1 LYS A 69 -12.818 -1.227 -9.320 1.00 51.21 H new ATOM 0 HZ2 LYS A 69 -13.388 -0.042 -8.246 1.00 51.21 H new ATOM 0 HZ3 LYS A 69 -11.758 -0.516 -8.200 1.00 51.21 H new ATOM 1119 N LYS A 70 -11.593 1.686 -2.659 1.00 44.24 N ATOM 1120 CA LYS A 70 -12.090 2.042 -1.321 1.00 23.30 C ATOM 1121 C LYS A 70 -11.712 3.481 -0.943 1.00 34.12 C ATOM 1122 O LYS A 70 -12.358 4.105 -0.099 1.00 20.12 O ATOM 1123 CB LYS A 70 -11.533 1.079 -0.267 1.00 42.02 C ATOM 1124 CG LYS A 70 -11.869 -0.385 -0.530 1.00 63.14 C ATOM 1125 CD LYS A 70 -11.386 -1.291 0.600 1.00 43.30 C ATOM 1126 CE LYS A 70 -12.109 -1.002 1.910 1.00 52.42 C ATOM 1127 NZ LYS A 70 -13.572 -1.239 1.795 1.00 60.50 N ATOM 0 H LYS A 70 -10.787 1.061 -2.656 1.00 44.24 H new ATOM 0 HA LYS A 70 -13.177 1.965 -1.349 1.00 23.30 H new ATOM 0 HB2 LYS A 70 -10.450 1.191 -0.223 1.00 42.02 H new ATOM 0 HB3 LYS A 70 -11.923 1.361 0.711 1.00 42.02 H new ATOM 0 HG2 LYS A 70 -12.947 -0.495 -0.648 1.00 63.14 H new ATOM 0 HG3 LYS A 70 -11.412 -0.700 -1.468 1.00 63.14 H new ATOM 0 HD2 LYS A 70 -11.542 -2.333 0.322 1.00 43.30 H new ATOM 0 HD3 LYS A 70 -10.313 -1.156 0.740 1.00 43.30 H new ATOM 0 HE2 LYS A 70 -11.699 -1.633 2.699 1.00 52.42 H new ATOM 0 HE3 LYS A 70 -11.930 0.032 2.204 1.00 52.42 H new ATOM 0 HZ1 LYS A 70 -13.995 -1.265 2.745 1.00 60.50 H new ATOM 0 HZ2 LYS A 70 -14.006 -0.471 1.244 1.00 60.50 H new ATOM 0 HZ3 LYS A 70 -13.740 -2.147 1.316 1.00 60.50 H new ATOM 1141 N PHE A 71 -10.656 3.992 -1.568 1.00 33.00 N ATOM 1142 CA PHE A 71 -10.184 5.357 -1.320 1.00 53.45 C ATOM 1143 C PHE A 71 -9.846 6.066 -2.637 1.00 33.21 C ATOM 1144 O PHE A 71 -9.848 5.453 -3.705 1.00 32.34 O ATOM 1145 CB PHE A 71 -8.953 5.337 -0.398 1.00 71.15 C ATOM 1146 CG PHE A 71 -7.807 4.494 -0.917 1.00 14.41 C ATOM 1147 CD1 PHE A 71 -7.764 3.126 -0.672 1.00 32.11 C ATOM 1148 CD2 PHE A 71 -6.772 5.070 -1.644 1.00 73.31 C ATOM 1149 CE1 PHE A 71 -6.718 2.355 -1.141 1.00 42.01 C ATOM 1150 CE2 PHE A 71 -5.725 4.299 -2.114 1.00 62.02 C ATOM 1151 CZ PHE A 71 -5.698 2.942 -1.862 1.00 22.31 C ATOM 0 H PHE A 71 -10.105 3.479 -2.256 1.00 33.00 H new ATOM 0 HA PHE A 71 -10.985 5.910 -0.829 1.00 53.45 H new ATOM 0 HB2 PHE A 71 -8.603 6.359 -0.255 1.00 71.15 H new ATOM 0 HB3 PHE A 71 -9.251 4.962 0.581 1.00 71.15 H new ATOM 0 HD1 PHE A 71 -8.558 2.660 -0.108 1.00 32.11 H new ATOM 0 HD2 PHE A 71 -6.786 6.131 -1.844 1.00 73.31 H new ATOM 0 HE1 PHE A 71 -6.698 1.293 -0.944 1.00 42.01 H new ATOM 0 HE2 PHE A 71 -4.928 4.759 -2.679 1.00 62.02 H new ATOM 0 HZ PHE A 71 -4.880 2.340 -2.229 1.00 22.31 H new ATOM 1161 N ARG A 72 -9.561 7.363 -2.557 1.00 24.33 N ATOM 1162 CA ARG A 72 -9.208 8.150 -3.740 1.00 13.23 C ATOM 1163 C ARG A 72 -7.881 8.901 -3.534 1.00 24.42 C ATOM 1164 O ARG A 72 -7.375 9.009 -2.412 1.00 71.11 O ATOM 1165 CB ARG A 72 -10.341 9.129 -4.080 1.00 42.23 C ATOM 1166 CG ARG A 72 -11.684 8.441 -4.309 1.00 11.21 C ATOM 1167 CD ARG A 72 -12.779 9.427 -4.696 1.00 11.24 C ATOM 1168 NE ARG A 72 -14.071 8.767 -4.864 1.00 72.24 N ATOM 1169 CZ ARG A 72 -15.087 9.289 -5.494 1.00 12.44 C ATOM 1170 NH1 ARG A 72 -14.993 10.456 -6.049 1.00 61.45 N ATOM 1171 NH2 ARG A 72 -16.196 8.634 -5.573 1.00 22.03 N ATOM 0 H ARG A 72 -9.567 7.894 -1.686 1.00 24.33 H new ATOM 0 HA ARG A 72 -9.072 7.466 -4.578 1.00 13.23 H new ATOM 0 HB2 ARG A 72 -10.444 9.851 -3.270 1.00 42.23 H new ATOM 0 HB3 ARG A 72 -10.071 9.690 -4.974 1.00 42.23 H new ATOM 0 HG2 ARG A 72 -11.577 7.693 -5.094 1.00 11.21 H new ATOM 0 HG3 ARG A 72 -11.978 7.912 -3.403 1.00 11.21 H new ATOM 0 HD2 ARG A 72 -12.862 10.197 -3.929 1.00 11.24 H new ATOM 0 HD3 ARG A 72 -12.504 9.929 -5.624 1.00 11.24 H new ATOM 0 HE ARG A 72 -14.186 7.837 -4.462 1.00 72.24 H new ATOM 0 HH11 ARG A 72 -14.118 10.977 -5.996 1.00 61.45 H new ATOM 0 HH12 ARG A 72 -15.794 10.854 -6.539 1.00 61.45 H new ATOM 0 HH21 ARG A 72 -16.275 7.712 -5.144 1.00 22.03 H new ATOM 0 HH22 ARG A 72 -16.993 9.038 -6.065 1.00 22.03 H new ATOM 1185 N GLU A 73 -7.326 9.418 -4.625 1.00 52.22 N ATOM 1186 CA GLU A 73 -6.009 10.063 -4.601 1.00 42.22 C ATOM 1187 C GLU A 73 -6.038 11.390 -3.818 1.00 51.35 C ATOM 1188 O GLU A 73 -6.183 12.472 -4.394 1.00 31.42 O ATOM 1189 CB GLU A 73 -5.524 10.279 -6.044 1.00 71.44 C ATOM 1190 CG GLU A 73 -4.097 10.803 -6.168 1.00 33.33 C ATOM 1191 CD GLU A 73 -3.663 10.954 -7.619 1.00 64.34 C ATOM 1192 OE1 GLU A 73 -3.941 12.016 -8.223 1.00 5.55 O ATOM 1193 OE2 GLU A 73 -3.060 10.005 -8.169 1.00 51.54 O ATOM 0 H GLU A 73 -7.767 9.405 -5.544 1.00 52.22 H new ATOM 0 HA GLU A 73 -5.309 9.409 -4.081 1.00 42.22 H new ATOM 0 HB2 GLU A 73 -5.597 9.334 -6.582 1.00 71.44 H new ATOM 0 HB3 GLU A 73 -6.197 10.980 -6.538 1.00 71.44 H new ATOM 0 HG2 GLU A 73 -4.021 11.767 -5.666 1.00 33.33 H new ATOM 0 HG3 GLU A 73 -3.416 10.123 -5.656 1.00 33.33 H new ATOM 1200 N GLY A 74 -5.928 11.292 -2.492 1.00 64.44 N ATOM 1201 CA GLY A 74 -5.943 12.481 -1.642 1.00 22.13 C ATOM 1202 C GLY A 74 -6.483 12.228 -0.232 1.00 61.32 C ATOM 1203 O GLY A 74 -6.352 13.082 0.648 1.00 54.00 O ATOM 0 H GLY A 74 -5.829 10.411 -1.989 1.00 64.44 H new ATOM 0 HA2 GLY A 74 -4.929 12.875 -1.567 1.00 22.13 H new ATOM 0 HA3 GLY A 74 -6.549 13.250 -2.120 1.00 22.13 H new ATOM 1207 N ASP A 75 -7.104 11.070 -0.013 1.00 71.24 N ATOM 1208 CA ASP A 75 -7.645 10.716 1.310 1.00 44.54 C ATOM 1209 C ASP A 75 -6.556 10.134 2.231 1.00 74.21 C ATOM 1210 O ASP A 75 -5.435 9.878 1.799 1.00 51.41 O ATOM 1211 CB ASP A 75 -8.786 9.706 1.151 1.00 12.21 C ATOM 1212 CG ASP A 75 -9.881 10.216 0.231 1.00 34.21 C ATOM 1213 OD1 ASP A 75 -10.497 11.252 0.546 1.00 70.24 O ATOM 1214 OD2 ASP A 75 -10.124 9.591 -0.820 1.00 45.12 O ATOM 0 H ASP A 75 -7.248 10.358 -0.729 1.00 71.24 H new ATOM 0 HA ASP A 75 -8.022 11.628 1.773 1.00 44.54 H new ATOM 0 HB2 ASP A 75 -8.389 8.771 0.756 1.00 12.21 H new ATOM 0 HB3 ASP A 75 -9.211 9.484 2.130 1.00 12.21 H new ATOM 1219 N VAL A 76 -6.889 9.934 3.504 1.00 72.32 N ATOM 1220 CA VAL A 76 -5.966 9.297 4.453 1.00 1.43 C ATOM 1221 C VAL A 76 -6.350 7.828 4.668 1.00 71.14 C ATOM 1222 O VAL A 76 -7.521 7.514 4.877 1.00 15.43 O ATOM 1223 CB VAL A 76 -5.961 10.021 5.823 1.00 34.34 C ATOM 1224 CG1 VAL A 76 -4.869 9.457 6.731 1.00 31.33 C ATOM 1225 CG2 VAL A 76 -5.799 11.530 5.637 1.00 31.05 C ATOM 0 H VAL A 76 -7.788 10.201 3.906 1.00 72.32 H new ATOM 0 HA VAL A 76 -4.967 9.362 4.021 1.00 1.43 H new ATOM 0 HB VAL A 76 -6.922 9.844 6.307 1.00 34.34 H new ATOM 0 HG11 VAL A 76 -4.884 9.980 7.687 1.00 31.33 H new ATOM 0 HG12 VAL A 76 -5.046 8.394 6.896 1.00 31.33 H new ATOM 0 HG13 VAL A 76 -3.896 9.593 6.258 1.00 31.33 H new ATOM 0 HG21 VAL A 76 -5.798 12.019 6.611 1.00 31.05 H new ATOM 0 HG22 VAL A 76 -4.857 11.735 5.127 1.00 31.05 H new ATOM 0 HG23 VAL A 76 -6.626 11.914 5.039 1.00 31.05 H new ATOM 1235 N ILE A 77 -5.374 6.925 4.614 1.00 4.32 N ATOM 1236 CA ILE A 77 -5.652 5.492 4.771 1.00 3.32 C ATOM 1237 C ILE A 77 -4.651 4.812 5.712 1.00 12.21 C ATOM 1238 O ILE A 77 -3.525 5.283 5.897 1.00 15.20 O ATOM 1239 CB ILE A 77 -5.629 4.745 3.409 1.00 1.33 C ATOM 1240 CG1 ILE A 77 -4.241 4.856 2.750 1.00 2.22 C ATOM 1241 CG2 ILE A 77 -6.717 5.282 2.480 1.00 55.51 C ATOM 1242 CD1 ILE A 77 -4.103 4.058 1.470 1.00 74.01 C ATOM 0 H ILE A 77 -4.391 7.153 4.464 1.00 4.32 H new ATOM 0 HA ILE A 77 -6.651 5.432 5.202 1.00 3.32 H new ATOM 0 HB ILE A 77 -5.832 3.690 3.594 1.00 1.33 H new ATOM 0 HG12 ILE A 77 -4.034 5.905 2.537 1.00 2.22 H new ATOM 0 HG13 ILE A 77 -3.485 4.520 3.459 1.00 2.22 H new ATOM 0 HG21 ILE A 77 -6.683 4.745 1.532 1.00 55.51 H new ATOM 0 HG22 ILE A 77 -7.693 5.140 2.943 1.00 55.51 H new ATOM 0 HG23 ILE A 77 -6.551 6.344 2.302 1.00 55.51 H new ATOM 0 HD11 ILE A 77 -3.099 4.188 1.067 1.00 74.01 H new ATOM 0 HD12 ILE A 77 -4.277 3.002 1.679 1.00 74.01 H new ATOM 0 HD13 ILE A 77 -4.834 4.409 0.742 1.00 74.01 H new ATOM 1254 N ARG A 78 -5.079 3.706 6.311 1.00 32.42 N ATOM 1255 CA ARG A 78 -4.186 2.843 7.083 1.00 51.43 C ATOM 1256 C ARG A 78 -4.221 1.415 6.527 1.00 13.21 C ATOM 1257 O ARG A 78 -5.257 0.748 6.557 1.00 40.41 O ATOM 1258 CB ARG A 78 -4.569 2.847 8.568 1.00 72.41 C ATOM 1259 CG ARG A 78 -3.585 2.081 9.449 1.00 52.43 C ATOM 1260 CD ARG A 78 -3.899 2.237 10.934 1.00 62.02 C ATOM 1261 NE ARG A 78 -5.149 1.583 11.319 1.00 14.40 N ATOM 1262 CZ ARG A 78 -5.514 1.378 12.557 1.00 64.53 C ATOM 1263 NH1 ARG A 78 -4.764 1.768 13.541 1.00 54.53 N ATOM 1264 NH2 ARG A 78 -6.629 0.778 12.802 1.00 22.31 N ATOM 0 H ARG A 78 -6.046 3.383 6.277 1.00 32.42 H new ATOM 0 HA ARG A 78 -3.172 3.232 6.994 1.00 51.43 H new ATOM 0 HB2 ARG A 78 -4.632 3.878 8.917 1.00 72.41 H new ATOM 0 HB3 ARG A 78 -5.562 2.411 8.681 1.00 72.41 H new ATOM 0 HG2 ARG A 78 -3.609 1.024 9.183 1.00 52.43 H new ATOM 0 HG3 ARG A 78 -2.573 2.436 9.254 1.00 52.43 H new ATOM 0 HD2 ARG A 78 -3.080 1.820 11.520 1.00 62.02 H new ATOM 0 HD3 ARG A 78 -3.958 3.297 11.179 1.00 62.02 H new ATOM 0 HE ARG A 78 -5.774 1.268 10.577 1.00 14.40 H new ATOM 0 HH11 ARG A 78 -3.880 2.240 13.352 1.00 54.53 H new ATOM 0 HH12 ARG A 78 -5.059 1.603 14.503 1.00 54.53 H new ATOM 0 HH21 ARG A 78 -7.220 0.466 12.032 1.00 22.31 H new ATOM 0 HH22 ARG A 78 -6.919 0.615 13.766 1.00 22.31 H new ATOM 1278 N ILE A 79 -3.088 0.962 6.007 1.00 14.23 N ATOM 1279 CA ILE A 79 -2.980 -0.366 5.400 1.00 63.55 C ATOM 1280 C ILE A 79 -2.484 -1.403 6.419 1.00 75.43 C ATOM 1281 O ILE A 79 -1.416 -1.244 7.005 1.00 23.31 O ATOM 1282 CB ILE A 79 -2.017 -0.336 4.188 1.00 1.51 C ATOM 1283 CG1 ILE A 79 -2.426 0.785 3.213 1.00 21.52 C ATOM 1284 CG2 ILE A 79 -1.997 -1.692 3.483 1.00 23.43 C ATOM 1285 CD1 ILE A 79 -1.510 0.926 2.017 1.00 60.44 C ATOM 0 H ILE A 79 -2.220 1.498 5.992 1.00 14.23 H new ATOM 0 HA ILE A 79 -3.976 -0.653 5.063 1.00 63.55 H new ATOM 0 HB ILE A 79 -1.009 -0.129 4.547 1.00 1.51 H new ATOM 0 HG12 ILE A 79 -3.440 0.594 2.861 1.00 21.52 H new ATOM 0 HG13 ILE A 79 -2.449 1.731 3.753 1.00 21.52 H new ATOM 0 HG21 ILE A 79 -1.315 -1.651 2.634 1.00 23.43 H new ATOM 0 HG22 ILE A 79 -1.662 -2.460 4.181 1.00 23.43 H new ATOM 0 HG23 ILE A 79 -3.000 -1.934 3.131 1.00 23.43 H new ATOM 0 HD11 ILE A 79 -1.866 1.736 1.380 1.00 60.44 H new ATOM 0 HD12 ILE A 79 -0.499 1.150 2.357 1.00 60.44 H new ATOM 0 HD13 ILE A 79 -1.505 -0.006 1.451 1.00 60.44 H new ATOM 1297 N LYS A 80 -3.256 -2.468 6.624 1.00 75.03 N ATOM 1298 CA LYS A 80 -2.931 -3.472 7.645 1.00 62.45 C ATOM 1299 C LYS A 80 -2.619 -4.847 7.022 1.00 50.45 C ATOM 1300 O LYS A 80 -3.025 -5.138 5.894 1.00 32.34 O ATOM 1301 CB LYS A 80 -4.097 -3.585 8.647 1.00 52.34 C ATOM 1302 CG LYS A 80 -3.780 -4.428 9.884 1.00 14.44 C ATOM 1303 CD LYS A 80 -4.900 -4.374 10.925 1.00 52.14 C ATOM 1304 CE LYS A 80 -6.174 -5.064 10.445 1.00 34.34 C ATOM 1305 NZ LYS A 80 -5.968 -6.522 10.234 1.00 20.00 N ATOM 0 H LYS A 80 -4.110 -2.661 6.100 1.00 75.03 H new ATOM 0 HA LYS A 80 -2.031 -3.145 8.167 1.00 62.45 H new ATOM 0 HB2 LYS A 80 -4.385 -2.584 8.967 1.00 52.34 H new ATOM 0 HB3 LYS A 80 -4.959 -4.017 8.138 1.00 52.34 H new ATOM 0 HG2 LYS A 80 -3.616 -5.463 9.584 1.00 14.44 H new ATOM 0 HG3 LYS A 80 -2.852 -4.075 10.333 1.00 14.44 H new ATOM 0 HD2 LYS A 80 -4.559 -4.846 11.846 1.00 52.14 H new ATOM 0 HD3 LYS A 80 -5.121 -3.334 11.163 1.00 52.14 H new ATOM 0 HE2 LYS A 80 -6.967 -4.911 11.177 1.00 34.34 H new ATOM 0 HE3 LYS A 80 -6.507 -4.606 9.514 1.00 34.34 H new ATOM 0 HZ1 LYS A 80 -5.981 -6.731 9.215 1.00 20.00 H new ATOM 0 HZ2 LYS A 80 -5.050 -6.804 10.634 1.00 20.00 H new ATOM 0 HZ3 LYS A 80 -6.729 -7.052 10.705 1.00 20.00 H new ATOM 1319 N ASP A 81 -1.874 -5.673 7.775 1.00 10.25 N ATOM 1320 CA ASP A 81 -1.565 -7.064 7.391 1.00 12.32 C ATOM 1321 C ASP A 81 -0.540 -7.136 6.238 1.00 73.44 C ATOM 1322 O ASP A 81 -0.647 -7.990 5.355 1.00 4.32 O ATOM 1323 CB ASP A 81 -2.855 -7.816 7.004 1.00 25.04 C ATOM 1324 CG ASP A 81 -3.961 -7.667 8.041 1.00 65.12 C ATOM 1325 OD1 ASP A 81 -3.753 -8.058 9.208 1.00 42.32 O ATOM 1326 OD2 ASP A 81 -5.053 -7.160 7.695 1.00 41.20 O ATOM 0 H ASP A 81 -1.468 -5.396 8.669 1.00 10.25 H new ATOM 0 HA ASP A 81 -1.115 -7.545 8.259 1.00 12.32 H new ATOM 0 HB2 ASP A 81 -3.212 -7.445 6.043 1.00 25.04 H new ATOM 0 HB3 ASP A 81 -2.627 -8.874 6.872 1.00 25.04 H new ATOM 1331 N VAL A 82 0.471 -6.262 6.265 1.00 3.44 N ATOM 1332 CA VAL A 82 1.470 -6.192 5.184 1.00 71.45 C ATOM 1333 C VAL A 82 2.907 -6.418 5.692 1.00 50.13 C ATOM 1334 O VAL A 82 3.185 -6.290 6.886 1.00 32.43 O ATOM 1335 CB VAL A 82 1.410 -4.825 4.459 1.00 21.03 C ATOM 1336 CG1 VAL A 82 0.028 -4.594 3.859 1.00 63.51 C ATOM 1337 CG2 VAL A 82 1.788 -3.687 5.406 1.00 3.21 C ATOM 0 H VAL A 82 0.623 -5.593 7.020 1.00 3.44 H new ATOM 0 HA VAL A 82 1.218 -6.994 4.491 1.00 71.45 H new ATOM 0 HB VAL A 82 2.136 -4.841 3.646 1.00 21.03 H new ATOM 0 HG11 VAL A 82 0.007 -3.628 3.354 1.00 63.51 H new ATOM 0 HG12 VAL A 82 -0.193 -5.384 3.141 1.00 63.51 H new ATOM 0 HG13 VAL A 82 -0.720 -4.605 4.652 1.00 63.51 H new ATOM 0 HG21 VAL A 82 1.738 -2.738 4.872 1.00 3.21 H new ATOM 0 HG22 VAL A 82 1.094 -3.668 6.247 1.00 3.21 H new ATOM 0 HG23 VAL A 82 2.802 -3.843 5.775 1.00 3.21 H new ATOM 1347 N ASN A 83 3.821 -6.749 4.771 1.00 21.53 N ATOM 1348 CA ASN A 83 5.242 -6.937 5.113 1.00 3.52 C ATOM 1349 C ASN A 83 6.123 -5.840 4.494 1.00 31.50 C ATOM 1350 O ASN A 83 5.955 -5.473 3.328 1.00 54.24 O ATOM 1351 CB ASN A 83 5.751 -8.312 4.649 1.00 43.51 C ATOM 1352 CG ASN A 83 5.041 -9.480 5.314 1.00 64.33 C ATOM 1353 OD1 ASN A 83 4.500 -9.264 6.495 1.00 13.13 O flip ATOM 1354 ND2 ASN A 83 4.972 -10.573 4.763 1.00 60.24 N flip ATOM 0 H ASN A 83 3.605 -6.893 3.784 1.00 21.53 H new ATOM 0 HA ASN A 83 5.312 -6.876 6.199 1.00 3.52 H new ATOM 0 HB2 ASN A 83 5.628 -8.390 3.569 1.00 43.51 H new ATOM 0 HB3 ASN A 83 6.819 -8.383 4.854 1.00 43.51 H new ATOM 0 HD21 ASN A 83 5.401 -10.711 3.848 1.00 60.24 H new ATOM 0 HD22 ASN A 83 4.486 -11.345 5.220 1.00 60.24 H new ATOM 1361 N ILE A 84 7.064 -5.332 5.285 1.00 34.02 N ATOM 1362 CA ILE A 84 8.027 -4.328 4.819 1.00 13.41 C ATOM 1363 C ILE A 84 9.311 -5.003 4.308 1.00 31.25 C ATOM 1364 O ILE A 84 9.993 -5.695 5.062 1.00 43.43 O ATOM 1365 CB ILE A 84 8.388 -3.342 5.963 1.00 30.13 C ATOM 1366 CG1 ILE A 84 7.117 -2.673 6.518 1.00 12.04 C ATOM 1367 CG2 ILE A 84 9.396 -2.293 5.488 1.00 22.41 C ATOM 1368 CD1 ILE A 84 6.328 -1.892 5.485 1.00 73.14 C ATOM 0 H ILE A 84 7.184 -5.600 6.262 1.00 34.02 H new ATOM 0 HA ILE A 84 7.562 -3.776 4.002 1.00 13.41 H new ATOM 0 HB ILE A 84 8.856 -3.910 6.767 1.00 30.13 H new ATOM 0 HG12 ILE A 84 6.473 -3.441 6.947 1.00 12.04 H new ATOM 0 HG13 ILE A 84 7.397 -2.001 7.330 1.00 12.04 H new ATOM 0 HG21 ILE A 84 9.631 -1.616 6.309 1.00 22.41 H new ATOM 0 HG22 ILE A 84 10.308 -2.789 5.155 1.00 22.41 H new ATOM 0 HG23 ILE A 84 8.969 -1.726 4.661 1.00 22.41 H new ATOM 0 HD11 ILE A 84 5.449 -1.452 5.955 1.00 73.14 H new ATOM 0 HD12 ILE A 84 6.953 -1.100 5.072 1.00 73.14 H new ATOM 0 HD13 ILE A 84 6.014 -2.562 4.684 1.00 73.14 H new ATOM 1380 N ARG A 85 9.643 -4.811 3.030 1.00 2.33 N ATOM 1381 CA ARG A 85 10.836 -5.448 2.454 1.00 53.05 C ATOM 1382 C ARG A 85 12.117 -4.642 2.730 1.00 72.44 C ATOM 1383 O ARG A 85 13.006 -5.113 3.436 1.00 53.53 O ATOM 1384 CB ARG A 85 10.670 -5.678 0.945 1.00 43.21 C ATOM 1385 CG ARG A 85 9.555 -6.654 0.574 1.00 3.01 C ATOM 1386 CD ARG A 85 9.683 -7.985 1.314 1.00 44.12 C ATOM 1387 NE ARG A 85 11.039 -8.534 1.254 1.00 54.50 N ATOM 1388 CZ ARG A 85 11.429 -9.456 0.414 1.00 4.10 C ATOM 1389 NH1 ARG A 85 10.625 -9.916 -0.488 1.00 54.11 N ATOM 1390 NH2 ARG A 85 12.636 -9.917 0.481 1.00 42.02 N ATOM 0 H ARG A 85 9.114 -4.229 2.380 1.00 2.33 H new ATOM 0 HA ARG A 85 10.940 -6.415 2.947 1.00 53.05 H new ATOM 0 HB2 ARG A 85 10.473 -4.720 0.463 1.00 43.21 H new ATOM 0 HB3 ARG A 85 11.611 -6.050 0.541 1.00 43.21 H new ATOM 0 HG2 ARG A 85 8.589 -6.204 0.804 1.00 3.01 H new ATOM 0 HG3 ARG A 85 9.575 -6.834 -0.501 1.00 3.01 H new ATOM 0 HD2 ARG A 85 9.397 -7.846 2.357 1.00 44.12 H new ATOM 0 HD3 ARG A 85 8.985 -8.704 0.885 1.00 44.12 H new ATOM 0 HE ARG A 85 11.727 -8.172 1.914 1.00 54.50 H new ATOM 0 HH11 ARG A 85 9.672 -9.559 -0.551 1.00 54.11 H new ATOM 0 HH12 ARG A 85 10.944 -10.636 -1.137 1.00 54.11 H new ATOM 0 HH21 ARG A 85 13.279 -9.561 1.188 1.00 42.02 H new ATOM 0 HH22 ARG A 85 12.944 -10.637 -0.173 1.00 42.02 H new ATOM 1404 N GLY A 86 12.220 -3.440 2.164 1.00 14.31 N ATOM 1405 CA GLY A 86 13.418 -2.629 2.378 1.00 4.35 C ATOM 1406 C GLY A 86 13.404 -1.294 1.640 1.00 3.42 C ATOM 1407 O GLY A 86 13.845 -0.281 2.180 1.00 34.33 O ATOM 0 H GLY A 86 11.509 -3.015 1.569 1.00 14.31 H new ATOM 0 HA2 GLY A 86 13.531 -2.441 3.446 1.00 4.35 H new ATOM 0 HA3 GLY A 86 14.291 -3.199 2.061 1.00 4.35 H new ATOM 1411 N GLY A 87 12.900 -1.288 0.408 1.00 3.04 N ATOM 1412 CA GLY A 87 12.906 -0.075 -0.403 1.00 72.42 C ATOM 1413 C GLY A 87 14.261 0.212 -1.051 1.00 44.33 C ATOM 1414 O GLY A 87 15.234 0.533 -0.363 1.00 63.01 O ATOM 0 H GLY A 87 12.486 -2.102 -0.047 1.00 3.04 H new ATOM 0 HA2 GLY A 87 12.150 -0.164 -1.183 1.00 72.42 H new ATOM 0 HA3 GLY A 87 12.623 0.773 0.221 1.00 72.42 H new ATOM 1418 N PHE A 88 14.326 0.098 -2.375 1.00 11.24 N ATOM 1419 CA PHE A 88 15.560 0.375 -3.120 1.00 75.23 C ATOM 1420 C PHE A 88 15.966 1.859 -3.014 1.00 43.30 C ATOM 1421 O PHE A 88 15.309 2.742 -3.568 1.00 5.20 O ATOM 1422 CB PHE A 88 15.403 -0.053 -4.595 1.00 42.42 C ATOM 1423 CG PHE A 88 14.158 0.476 -5.278 1.00 71.44 C ATOM 1424 CD1 PHE A 88 12.943 -0.189 -5.150 1.00 74.01 C ATOM 1425 CD2 PHE A 88 14.200 1.631 -6.049 1.00 15.05 C ATOM 1426 CE1 PHE A 88 11.805 0.289 -5.771 1.00 35.13 C ATOM 1427 CE2 PHE A 88 13.063 2.110 -6.671 1.00 52.21 C ATOM 1428 CZ PHE A 88 11.867 1.437 -6.533 1.00 54.52 C ATOM 0 H PHE A 88 13.539 -0.185 -2.959 1.00 11.24 H new ATOM 0 HA PHE A 88 16.362 -0.211 -2.672 1.00 75.23 H new ATOM 0 HB2 PHE A 88 16.277 0.284 -5.152 1.00 42.42 H new ATOM 0 HB3 PHE A 88 15.393 -1.142 -4.644 1.00 42.42 H new ATOM 0 HD1 PHE A 88 12.888 -1.090 -4.558 1.00 74.01 H new ATOM 0 HD2 PHE A 88 15.134 2.161 -6.164 1.00 15.05 H new ATOM 0 HE1 PHE A 88 10.868 -0.236 -5.660 1.00 35.13 H new ATOM 0 HE2 PHE A 88 13.111 3.011 -7.265 1.00 52.21 H new ATOM 0 HZ PHE A 88 10.979 1.809 -7.022 1.00 54.52 H new ATOM 1438 N GLY A 89 17.043 2.128 -2.276 1.00 63.42 N ATOM 1439 CA GLY A 89 17.532 3.496 -2.121 1.00 61.33 C ATOM 1440 C GLY A 89 17.275 4.069 -0.730 1.00 40.22 C ATOM 1441 O GLY A 89 18.178 4.631 -0.106 1.00 10.00 O ATOM 0 H GLY A 89 17.589 1.423 -1.780 1.00 63.42 H new ATOM 0 HA2 GLY A 89 18.603 3.518 -2.325 1.00 61.33 H new ATOM 0 HA3 GLY A 89 17.053 4.133 -2.864 1.00 61.33 H new ATOM 1445 N GLY A 90 16.048 3.927 -0.237 1.00 25.54 N ATOM 1446 CA GLY A 90 15.708 4.458 1.081 1.00 34.15 C ATOM 1447 C GLY A 90 14.214 4.412 1.387 1.00 5.22 C ATOM 1448 O GLY A 90 13.811 4.103 2.510 1.00 42.11 O ATOM 0 H GLY A 90 15.283 3.457 -0.720 1.00 25.54 H new ATOM 0 HA2 GLY A 90 16.245 3.891 1.842 1.00 34.15 H new ATOM 0 HA3 GLY A 90 16.053 5.490 1.149 1.00 34.15 H new ATOM 1452 N ARG A 91 13.391 4.735 0.390 1.00 75.11 N ATOM 1453 CA ARG A 91 11.934 4.693 0.554 1.00 1.41 C ATOM 1454 C ARG A 91 11.438 3.244 0.623 1.00 31.03 C ATOM 1455 O ARG A 91 11.268 2.582 -0.401 1.00 25.12 O ATOM 1456 CB ARG A 91 11.232 5.436 -0.593 1.00 55.14 C ATOM 1457 CG ARG A 91 11.637 6.905 -0.716 1.00 62.21 C ATOM 1458 CD ARG A 91 10.808 7.631 -1.768 1.00 34.23 C ATOM 1459 NE ARG A 91 11.221 9.023 -1.944 1.00 1.41 N ATOM 1460 CZ ARG A 91 10.390 10.031 -2.001 1.00 22.45 C ATOM 1461 NH1 ARG A 91 9.129 9.860 -1.767 1.00 24.01 N ATOM 1462 NH2 ARG A 91 10.823 11.223 -2.237 1.00 24.40 N ATOM 0 H ARG A 91 13.704 5.027 -0.536 1.00 75.11 H new ATOM 0 HA ARG A 91 11.689 5.192 1.492 1.00 1.41 H new ATOM 0 HB2 ARG A 91 11.453 4.928 -1.532 1.00 55.14 H new ATOM 0 HB3 ARG A 91 10.154 5.377 -0.445 1.00 55.14 H new ATOM 0 HG2 ARG A 91 11.515 7.398 0.248 1.00 62.21 H new ATOM 0 HG3 ARG A 91 12.694 6.971 -0.976 1.00 62.21 H new ATOM 0 HD2 ARG A 91 10.895 7.107 -2.720 1.00 34.23 H new ATOM 0 HD3 ARG A 91 9.757 7.601 -1.482 1.00 34.23 H new ATOM 0 HE ARG A 91 12.218 9.220 -2.027 1.00 1.41 H new ATOM 0 HH11 ARG A 91 8.775 8.932 -1.535 1.00 24.01 H new ATOM 0 HH12 ARG A 91 8.489 10.653 -1.814 1.00 24.01 H new ATOM 0 HH21 ARG A 91 11.820 11.384 -2.381 1.00 24.40 H new ATOM 0 HH22 ARG A 91 10.169 12.004 -2.280 1.00 24.40 H new ATOM 1476 N LYS A 92 11.237 2.756 1.845 1.00 2.34 N ATOM 1477 CA LYS A 92 10.814 1.375 2.083 1.00 41.24 C ATOM 1478 C LYS A 92 9.472 1.046 1.411 1.00 15.42 C ATOM 1479 O LYS A 92 8.711 1.934 1.018 1.00 11.23 O ATOM 1480 CB LYS A 92 10.768 1.094 3.593 1.00 41.30 C ATOM 1481 CG LYS A 92 12.127 1.277 4.261 1.00 10.54 C ATOM 1482 CD LYS A 92 12.094 1.014 5.762 1.00 12.53 C ATOM 1483 CE LYS A 92 13.490 1.144 6.361 1.00 43.01 C ATOM 1484 NZ LYS A 92 13.499 0.992 7.839 1.00 51.12 N ATOM 0 H LYS A 92 11.362 3.303 2.697 1.00 2.34 H new ATOM 0 HA LYS A 92 11.552 0.718 1.623 1.00 41.24 H new ATOM 0 HB2 LYS A 92 10.043 1.760 4.062 1.00 41.30 H new ATOM 0 HB3 LYS A 92 10.419 0.075 3.760 1.00 41.30 H new ATOM 0 HG2 LYS A 92 12.848 0.604 3.796 1.00 10.54 H new ATOM 0 HG3 LYS A 92 12.479 2.293 4.084 1.00 10.54 H new ATOM 0 HD2 LYS A 92 11.418 1.719 6.245 1.00 12.53 H new ATOM 0 HD3 LYS A 92 11.702 0.015 5.953 1.00 12.53 H new ATOM 0 HE2 LYS A 92 14.142 0.390 5.919 1.00 43.01 H new ATOM 0 HE3 LYS A 92 13.904 2.117 6.098 1.00 43.01 H new ATOM 0 HZ1 LYS A 92 13.840 1.872 8.276 1.00 51.12 H new ATOM 0 HZ2 LYS A 92 12.535 0.790 8.173 1.00 51.12 H new ATOM 0 HZ3 LYS A 92 14.129 0.208 8.103 1.00 51.12 H new ATOM 1498 N GLU A 93 9.188 -0.244 1.296 1.00 23.22 N ATOM 1499 CA GLU A 93 8.044 -0.724 0.519 1.00 33.01 C ATOM 1500 C GLU A 93 7.160 -1.666 1.352 1.00 1.32 C ATOM 1501 O GLU A 93 7.662 -2.521 2.089 1.00 74.04 O ATOM 1502 CB GLU A 93 8.567 -1.443 -0.735 1.00 11.12 C ATOM 1503 CG GLU A 93 9.453 -2.644 -0.415 1.00 1.21 C ATOM 1504 CD GLU A 93 10.270 -3.131 -1.603 1.00 23.24 C ATOM 1505 OE1 GLU A 93 9.701 -3.771 -2.511 1.00 14.11 O ATOM 1506 OE2 GLU A 93 11.495 -2.883 -1.621 1.00 33.35 O ATOM 0 H GLU A 93 9.736 -0.985 1.733 1.00 23.22 H new ATOM 0 HA GLU A 93 7.427 0.126 0.229 1.00 33.01 H new ATOM 0 HB2 GLU A 93 7.720 -1.775 -1.335 1.00 11.12 H new ATOM 0 HB3 GLU A 93 9.131 -0.735 -1.343 1.00 11.12 H new ATOM 0 HG2 GLU A 93 10.130 -2.379 0.397 1.00 1.21 H new ATOM 0 HG3 GLU A 93 8.828 -3.461 -0.055 1.00 1.21 H new ATOM 1513 N ALA A 94 5.847 -1.499 1.232 1.00 21.14 N ATOM 1514 CA ALA A 94 4.881 -2.336 1.951 1.00 34.21 C ATOM 1515 C ALA A 94 4.085 -3.214 0.977 1.00 3.42 C ATOM 1516 O ALA A 94 3.279 -2.710 0.198 1.00 4.44 O ATOM 1517 CB ALA A 94 3.934 -1.462 2.769 1.00 54.15 C ATOM 0 H ALA A 94 5.421 -0.787 0.639 1.00 21.14 H new ATOM 0 HA ALA A 94 5.432 -2.990 2.626 1.00 34.21 H new ATOM 0 HB1 ALA A 94 3.221 -2.094 3.298 1.00 54.15 H new ATOM 0 HB2 ALA A 94 4.508 -0.880 3.490 1.00 54.15 H new ATOM 0 HB3 ALA A 94 3.396 -0.787 2.104 1.00 54.15 H new ATOM 1523 N HIS A 95 4.308 -4.524 1.023 1.00 33.14 N ATOM 1524 CA HIS A 95 3.635 -5.452 0.104 1.00 0.22 C ATOM 1525 C HIS A 95 2.344 -6.007 0.706 1.00 10.22 C ATOM 1526 O HIS A 95 2.350 -6.638 1.767 1.00 51.54 O ATOM 1527 CB HIS A 95 4.573 -6.598 -0.287 1.00 72.25 C ATOM 1528 CG HIS A 95 5.618 -6.190 -1.280 1.00 30.41 C ATOM 1529 ND1 HIS A 95 5.562 -6.605 -2.588 1.00 54.31 N ATOM 1530 CD2 HIS A 95 6.703 -5.397 -1.116 1.00 1.30 C ATOM 1531 CE1 HIS A 95 6.605 -6.061 -3.186 1.00 11.25 C ATOM 1532 NE2 HIS A 95 7.324 -5.319 -2.334 1.00 53.30 N ATOM 0 H HIS A 95 4.946 -4.971 1.682 1.00 33.14 H new ATOM 0 HA HIS A 95 3.370 -4.890 -0.791 1.00 0.22 H new ATOM 0 HB2 HIS A 95 5.062 -6.981 0.609 1.00 72.25 H new ATOM 0 HB3 HIS A 95 3.984 -7.415 -0.703 1.00 72.25 H new ATOM 0 HD2 HIS A 95 7.018 -4.918 -0.201 1.00 1.30 H new ATOM 0 HE1 HIS A 95 6.848 -6.197 -4.230 1.00 11.25 H new ATOM 0 HE2 HIS A 95 8.172 -4.796 -2.551 1.00 53.30 H new ATOM 1540 N LEU A 96 1.240 -5.769 0.009 1.00 23.00 N ATOM 1541 CA LEU A 96 -0.077 -6.199 0.461 1.00 22.53 C ATOM 1542 C LEU A 96 -0.364 -7.653 0.050 1.00 34.44 C ATOM 1543 O LEU A 96 0.101 -8.128 -0.987 1.00 34.40 O ATOM 1544 CB LEU A 96 -1.162 -5.271 -0.106 1.00 64.34 C ATOM 1545 CG LEU A 96 -1.321 -3.910 0.599 1.00 65.33 C ATOM 1546 CD1 LEU A 96 -0.108 -3.014 0.362 1.00 1.33 C ATOM 1547 CD2 LEU A 96 -2.605 -3.217 0.149 1.00 41.23 C ATOM 0 H LEU A 96 1.232 -5.274 -0.883 1.00 23.00 H new ATOM 0 HA LEU A 96 -0.089 -6.146 1.550 1.00 22.53 H new ATOM 0 HB2 LEU A 96 -0.944 -5.090 -1.158 1.00 64.34 H new ATOM 0 HB3 LEU A 96 -2.118 -5.794 -0.064 1.00 64.34 H new ATOM 0 HG LEU A 96 -1.388 -4.096 1.671 1.00 65.33 H new ATOM 0 HD11 LEU A 96 -0.253 -2.062 0.873 1.00 1.33 H new ATOM 0 HD12 LEU A 96 0.786 -3.502 0.750 1.00 1.33 H new ATOM 0 HD13 LEU A 96 0.011 -2.837 -0.707 1.00 1.33 H new ATOM 0 HD21 LEU A 96 -2.699 -2.258 0.658 1.00 41.23 H new ATOM 0 HD22 LEU A 96 -2.572 -3.054 -0.928 1.00 41.23 H new ATOM 0 HD23 LEU A 96 -3.462 -3.844 0.395 1.00 41.23 H new ATOM 1559 N MET A 97 -1.128 -8.345 0.881 1.00 30.22 N ATOM 1560 CA MET A 97 -1.501 -9.742 0.641 1.00 51.13 C ATOM 1561 C MET A 97 -2.987 -9.838 0.258 1.00 34.32 C ATOM 1562 O MET A 97 -3.756 -8.922 0.538 1.00 54.45 O ATOM 1563 CB MET A 97 -1.245 -10.551 1.919 1.00 41.21 C ATOM 1564 CG MET A 97 0.137 -10.325 2.511 1.00 11.34 C ATOM 1565 SD MET A 97 0.335 -11.090 4.128 1.00 45.23 S ATOM 1566 CE MET A 97 1.825 -10.269 4.689 1.00 53.33 C ATOM 0 H MET A 97 -1.511 -7.959 1.744 1.00 30.22 H new ATOM 0 HA MET A 97 -0.903 -10.140 -0.179 1.00 51.13 H new ATOM 0 HB2 MET A 97 -1.998 -10.289 2.663 1.00 41.21 H new ATOM 0 HB3 MET A 97 -1.369 -11.611 1.700 1.00 41.21 H new ATOM 0 HG2 MET A 97 0.889 -10.724 1.830 1.00 11.34 H new ATOM 0 HG3 MET A 97 0.321 -9.254 2.596 1.00 11.34 H new ATOM 0 HE1 MET A 97 2.351 -10.912 5.395 1.00 53.33 H new ATOM 0 HE2 MET A 97 2.471 -10.064 3.835 1.00 53.33 H new ATOM 0 HE3 MET A 97 1.562 -9.331 5.178 1.00 53.33 H new ATOM 1576 N PRO A 98 -3.426 -10.951 -0.364 1.00 1.51 N ATOM 1577 CA PRO A 98 -4.849 -11.155 -0.705 1.00 62.43 C ATOM 1578 C PRO A 98 -5.790 -10.974 0.505 1.00 31.31 C ATOM 1579 O PRO A 98 -6.974 -10.680 0.345 1.00 44.40 O ATOM 1580 CB PRO A 98 -4.896 -12.609 -1.224 1.00 41.10 C ATOM 1581 CG PRO A 98 -3.585 -13.216 -0.834 1.00 12.24 C ATOM 1582 CD PRO A 98 -2.597 -12.085 -0.806 1.00 4.05 C ATOM 0 HA PRO A 98 -5.195 -10.420 -1.432 1.00 62.43 H new ATOM 0 HB2 PRO A 98 -5.729 -13.156 -0.782 1.00 41.10 H new ATOM 0 HB3 PRO A 98 -5.035 -12.635 -2.305 1.00 41.10 H new ATOM 0 HG2 PRO A 98 -3.653 -13.699 0.141 1.00 12.24 H new ATOM 0 HG3 PRO A 98 -3.282 -13.982 -1.548 1.00 12.24 H new ATOM 0 HD2 PRO A 98 -1.775 -12.280 -0.117 1.00 4.05 H new ATOM 0 HD3 PRO A 98 -2.155 -11.907 -1.786 1.00 4.05 H new ATOM 1590 N ARG A 99 -5.243 -11.135 1.713 1.00 23.31 N ATOM 1591 CA ARG A 99 -6.027 -11.046 2.955 1.00 3.13 C ATOM 1592 C ARG A 99 -5.812 -9.701 3.678 1.00 33.13 C ATOM 1593 O ARG A 99 -6.336 -9.484 4.772 1.00 40.32 O ATOM 1594 CB ARG A 99 -5.633 -12.203 3.881 1.00 4.43 C ATOM 1595 CG ARG A 99 -5.697 -13.564 3.198 1.00 30.41 C ATOM 1596 CD ARG A 99 -5.144 -14.677 4.079 1.00 20.53 C ATOM 1597 NE ARG A 99 -5.036 -15.933 3.344 1.00 22.15 N ATOM 1598 CZ ARG A 99 -3.932 -16.381 2.813 1.00 41.30 C ATOM 1599 NH1 ARG A 99 -2.827 -15.705 2.907 1.00 34.54 N ATOM 1600 NH2 ARG A 99 -3.939 -17.503 2.175 1.00 20.42 N ATOM 0 H ARG A 99 -4.253 -11.329 1.861 1.00 23.31 H new ATOM 0 HA ARG A 99 -7.084 -11.111 2.695 1.00 3.13 H new ATOM 0 HB2 ARG A 99 -4.621 -12.036 4.251 1.00 4.43 H new ATOM 0 HB3 ARG A 99 -6.293 -12.207 4.748 1.00 4.43 H new ATOM 0 HG2 ARG A 99 -6.731 -13.789 2.937 1.00 30.41 H new ATOM 0 HG3 ARG A 99 -5.134 -13.527 2.265 1.00 30.41 H new ATOM 0 HD2 ARG A 99 -4.163 -14.390 4.458 1.00 20.53 H new ATOM 0 HD3 ARG A 99 -5.792 -14.814 4.944 1.00 20.53 H new ATOM 0 HE ARG A 99 -5.879 -16.498 3.239 1.00 22.15 H new ATOM 0 HH11 ARG A 99 -2.816 -14.812 3.401 1.00 34.54 H new ATOM 0 HH12 ARG A 99 -1.971 -16.067 2.487 1.00 34.54 H new ATOM 0 HH21 ARG A 99 -4.805 -18.035 2.088 1.00 20.42 H new ATOM 0 HH22 ARG A 99 -3.078 -17.858 1.758 1.00 20.42 H new ATOM 1614 N SER A 100 -5.039 -8.805 3.063 1.00 42.43 N ATOM 1615 CA SER A 100 -4.755 -7.485 3.653 1.00 72.24 C ATOM 1616 C SER A 100 -5.938 -6.529 3.480 1.00 42.04 C ATOM 1617 O SER A 100 -6.713 -6.646 2.528 1.00 61.03 O ATOM 1618 CB SER A 100 -3.499 -6.863 3.027 1.00 12.43 C ATOM 1619 OG SER A 100 -2.359 -7.681 3.229 1.00 32.25 O ATOM 0 H SER A 100 -4.596 -8.964 2.158 1.00 42.43 H new ATOM 0 HA SER A 100 -4.585 -7.640 4.718 1.00 72.24 H new ATOM 0 HB2 SER A 100 -3.658 -6.716 1.959 1.00 12.43 H new ATOM 0 HB3 SER A 100 -3.324 -5.879 3.462 1.00 12.43 H new ATOM 0 HG SER A 100 -2.005 -7.532 4.131 1.00 32.25 H new ATOM 1625 N THR A 101 -6.062 -5.571 4.395 1.00 13.03 N ATOM 1626 CA THR A 101 -7.199 -4.637 4.399 1.00 15.54 C ATOM 1627 C THR A 101 -6.750 -3.186 4.617 1.00 11.01 C ATOM 1628 O THR A 101 -5.748 -2.926 5.284 1.00 12.11 O ATOM 1629 CB THR A 101 -8.226 -5.013 5.497 1.00 54.54 C ATOM 1630 OG1 THR A 101 -7.567 -5.161 6.770 1.00 51.22 O ATOM 1631 CG2 THR A 101 -8.959 -6.305 5.148 1.00 2.13 C ATOM 0 H THR A 101 -5.391 -5.416 5.147 1.00 13.03 H new ATOM 0 HA THR A 101 -7.665 -4.716 3.417 1.00 15.54 H new ATOM 0 HB THR A 101 -8.956 -4.206 5.558 1.00 54.54 H new ATOM 0 HG1 THR A 101 -8.227 -5.397 7.455 1.00 51.22 H new ATOM 0 HG21 THR A 101 -9.673 -6.543 5.937 1.00 2.13 H new ATOM 0 HG22 THR A 101 -9.490 -6.179 4.204 1.00 2.13 H new ATOM 0 HG23 THR A 101 -8.239 -7.118 5.053 1.00 2.13 H new ATOM 1639 N VAL A 102 -7.500 -2.243 4.040 1.00 2.35 N ATOM 1640 CA VAL A 102 -7.214 -0.807 4.185 1.00 64.43 C ATOM 1641 C VAL A 102 -8.429 -0.056 4.759 1.00 50.34 C ATOM 1642 O VAL A 102 -9.575 -0.442 4.526 1.00 70.12 O ATOM 1643 CB VAL A 102 -6.814 -0.166 2.827 1.00 73.03 C ATOM 1644 CG1 VAL A 102 -5.577 -0.848 2.243 1.00 74.44 C ATOM 1645 CG2 VAL A 102 -7.976 -0.208 1.832 1.00 32.41 C ATOM 0 H VAL A 102 -8.316 -2.447 3.463 1.00 2.35 H new ATOM 0 HA VAL A 102 -6.376 -0.720 4.877 1.00 64.43 H new ATOM 0 HB VAL A 102 -6.569 0.880 3.014 1.00 73.03 H new ATOM 0 HG11 VAL A 102 -5.318 -0.381 1.293 1.00 74.44 H new ATOM 0 HG12 VAL A 102 -4.743 -0.745 2.937 1.00 74.44 H new ATOM 0 HG13 VAL A 102 -5.786 -1.905 2.082 1.00 74.44 H new ATOM 0 HG21 VAL A 102 -7.666 0.247 0.891 1.00 32.41 H new ATOM 0 HG22 VAL A 102 -8.266 -1.244 1.655 1.00 32.41 H new ATOM 0 HG23 VAL A 102 -8.824 0.342 2.240 1.00 32.41 H new ATOM 1655 N GLU A 103 -8.177 1.008 5.518 1.00 52.40 N ATOM 1656 CA GLU A 103 -9.261 1.807 6.107 1.00 21.11 C ATOM 1657 C GLU A 103 -8.999 3.315 5.957 1.00 1.10 C ATOM 1658 O GLU A 103 -7.871 3.776 6.130 1.00 33.24 O ATOM 1659 CB GLU A 103 -9.438 1.440 7.590 1.00 3.05 C ATOM 1660 CG GLU A 103 -8.195 1.682 8.449 1.00 62.34 C ATOM 1661 CD GLU A 103 -8.345 1.157 9.870 1.00 11.05 C ATOM 1662 OE1 GLU A 103 -9.251 1.625 10.594 1.00 62.44 O ATOM 1663 OE2 GLU A 103 -7.561 0.268 10.267 1.00 60.22 O ATOM 0 H GLU A 103 -7.239 1.340 5.742 1.00 52.40 H new ATOM 0 HA GLU A 103 -10.180 1.577 5.567 1.00 21.11 H new ATOM 0 HB2 GLU A 103 -10.267 2.018 7.999 1.00 3.05 H new ATOM 0 HB3 GLU A 103 -9.716 0.389 7.662 1.00 3.05 H new ATOM 0 HG2 GLU A 103 -7.336 1.203 7.979 1.00 62.34 H new ATOM 0 HG3 GLU A 103 -7.985 2.751 8.482 1.00 62.34 H new ATOM 1670 N VAL A 104 -10.042 4.077 5.625 1.00 62.04 N ATOM 1671 CA VAL A 104 -9.924 5.534 5.475 1.00 74.55 C ATOM 1672 C VAL A 104 -10.059 6.252 6.830 1.00 61.41 C ATOM 1673 O VAL A 104 -10.949 5.942 7.627 1.00 64.25 O ATOM 1674 CB VAL A 104 -10.977 6.089 4.479 1.00 12.30 C ATOM 1675 CG1 VAL A 104 -10.717 5.559 3.071 1.00 50.44 C ATOM 1676 CG2 VAL A 104 -12.398 5.745 4.930 1.00 24.54 C ATOM 0 H VAL A 104 -10.979 3.713 5.454 1.00 62.04 H new ATOM 0 HA VAL A 104 -8.929 5.731 5.075 1.00 74.55 H new ATOM 0 HB VAL A 104 -10.884 7.175 4.462 1.00 12.30 H new ATOM 0 HG11 VAL A 104 -11.466 5.959 2.387 1.00 50.44 H new ATOM 0 HG12 VAL A 104 -9.724 5.868 2.743 1.00 50.44 H new ATOM 0 HG13 VAL A 104 -10.775 4.471 3.075 1.00 50.44 H new ATOM 0 HG21 VAL A 104 -13.114 6.146 4.213 1.00 24.54 H new ATOM 0 HG22 VAL A 104 -12.510 4.662 4.987 1.00 24.54 H new ATOM 0 HG23 VAL A 104 -12.584 6.181 5.912 1.00 24.54 H new ATOM 1686 N LEU A 105 -9.177 7.222 7.080 1.00 2.13 N ATOM 1687 CA LEU A 105 -9.073 7.868 8.399 1.00 4.21 C ATOM 1688 C LEU A 105 -8.922 9.398 8.309 1.00 32.13 C ATOM 1689 O LEU A 105 -8.884 9.982 7.225 1.00 63.01 O ATOM 1690 CB LEU A 105 -7.856 7.309 9.158 1.00 61.02 C ATOM 1691 CG LEU A 105 -7.867 5.798 9.442 1.00 3.34 C ATOM 1692 CD1 LEU A 105 -6.533 5.365 10.039 1.00 22.14 C ATOM 1693 CD2 LEU A 105 -9.019 5.429 10.374 1.00 11.24 C ATOM 0 H LEU A 105 -8.521 7.581 6.387 1.00 2.13 H new ATOM 0 HA LEU A 105 -10.003 7.650 8.924 1.00 4.21 H new ATOM 0 HB2 LEU A 105 -6.958 7.543 8.586 1.00 61.02 H new ATOM 0 HB3 LEU A 105 -7.774 7.836 10.109 1.00 61.02 H new ATOM 0 HG LEU A 105 -8.015 5.271 8.499 1.00 3.34 H new ATOM 0 HD11 LEU A 105 -6.553 4.293 10.236 1.00 22.14 H new ATOM 0 HD12 LEU A 105 -5.730 5.590 9.337 1.00 22.14 H new ATOM 0 HD13 LEU A 105 -6.360 5.902 10.972 1.00 22.14 H new ATOM 0 HD21 LEU A 105 -9.006 4.355 10.561 1.00 11.24 H new ATOM 0 HD22 LEU A 105 -8.908 5.963 11.318 1.00 11.24 H new ATOM 0 HD23 LEU A 105 -9.966 5.706 9.910 1.00 11.24 H new ATOM 1705 N ASP A 106 -8.858 10.019 9.489 1.00 75.21 N ATOM 1706 CA ASP A 106 -8.481 11.431 9.661 1.00 23.13 C ATOM 1707 C ASP A 106 -9.387 12.461 8.947 1.00 74.01 C ATOM 1708 O ASP A 106 -8.928 13.238 8.105 1.00 23.25 O ATOM 1709 CB ASP A 106 -7.009 11.633 9.283 1.00 52.41 C ATOM 1710 CG ASP A 106 -6.076 11.093 10.353 1.00 71.13 C ATOM 1711 OD1 ASP A 106 -5.804 9.874 10.366 1.00 60.31 O ATOM 1712 OD2 ASP A 106 -5.642 11.885 11.216 1.00 3.33 O ATOM 0 H ASP A 106 -9.070 9.550 10.370 1.00 75.21 H new ATOM 0 HA ASP A 106 -8.633 11.639 10.720 1.00 23.13 H new ATOM 0 HB2 ASP A 106 -6.804 11.134 8.336 1.00 52.41 H new ATOM 0 HB3 ASP A 106 -6.814 12.695 9.132 1.00 52.41 H new ATOM 1717 N PRO A 107 -10.694 12.476 9.272 1.00 40.35 N ATOM 1718 CA PRO A 107 -11.557 13.634 9.071 1.00 1.32 C ATOM 1719 C PRO A 107 -11.797 14.354 10.414 1.00 71.21 C ATOM 1720 O PRO A 107 -12.745 15.124 10.572 1.00 53.11 O ATOM 1721 CB PRO A 107 -12.838 12.968 8.567 1.00 52.23 C ATOM 1722 CG PRO A 107 -12.888 11.644 9.285 1.00 2.42 C ATOM 1723 CD PRO A 107 -11.483 11.346 9.785 1.00 63.20 C ATOM 0 HA PRO A 107 -11.158 14.392 8.397 1.00 1.32 H new ATOM 0 HB2 PRO A 107 -13.715 13.574 8.793 1.00 52.23 H new ATOM 0 HB3 PRO A 107 -12.815 12.832 7.486 1.00 52.23 H new ATOM 0 HG2 PRO A 107 -13.591 11.685 10.117 1.00 2.42 H new ATOM 0 HG3 PRO A 107 -13.232 10.856 8.615 1.00 2.42 H new ATOM 0 HD2 PRO A 107 -11.447 11.291 10.873 1.00 63.20 H new ATOM 0 HD3 PRO A 107 -11.115 10.393 9.405 1.00 63.20 H new ATOM 1731 N LEU A 108 -10.897 14.094 11.365 1.00 14.30 N ATOM 1732 CA LEU A 108 -11.091 14.447 12.776 1.00 52.34 C ATOM 1733 C LEU A 108 -9.832 15.126 13.363 1.00 32.33 C ATOM 1734 O LEU A 108 -8.708 14.675 13.138 1.00 53.24 O ATOM 1735 CB LEU A 108 -11.457 13.143 13.528 1.00 53.33 C ATOM 1736 CG LEU A 108 -11.687 13.212 15.055 1.00 34.45 C ATOM 1737 CD1 LEU A 108 -10.366 13.167 15.813 1.00 33.11 C ATOM 1738 CD2 LEU A 108 -12.499 14.447 15.445 1.00 42.11 C ATOM 0 H LEU A 108 -10.008 13.630 11.178 1.00 14.30 H new ATOM 0 HA LEU A 108 -11.895 15.175 12.885 1.00 52.34 H new ATOM 0 HB2 LEU A 108 -12.363 12.742 13.074 1.00 53.33 H new ATOM 0 HB3 LEU A 108 -10.662 12.420 13.345 1.00 53.33 H new ATOM 0 HG LEU A 108 -12.267 12.333 15.337 1.00 34.45 H new ATOM 0 HD11 LEU A 108 -10.559 13.217 16.885 1.00 33.11 H new ATOM 0 HD12 LEU A 108 -9.845 12.238 15.581 1.00 33.11 H new ATOM 0 HD13 LEU A 108 -9.747 14.014 15.516 1.00 33.11 H new ATOM 0 HD21 LEU A 108 -12.641 14.463 16.526 1.00 42.11 H new ATOM 0 HD22 LEU A 108 -11.965 15.346 15.136 1.00 42.11 H new ATOM 0 HD23 LEU A 108 -13.470 14.414 14.952 1.00 42.11 H new ATOM 1750 N GLU A 109 -10.042 16.216 14.108 1.00 71.13 N ATOM 1751 CA GLU A 109 -8.948 16.991 14.724 1.00 3.40 C ATOM 1752 C GLU A 109 -8.197 16.211 15.817 1.00 12.44 C ATOM 1753 O GLU A 109 -6.989 15.979 15.709 1.00 11.30 O ATOM 1754 CB GLU A 109 -9.510 18.283 15.338 1.00 73.21 C ATOM 1755 CG GLU A 109 -9.961 19.319 14.312 1.00 43.31 C ATOM 1756 CD GLU A 109 -8.801 19.903 13.520 1.00 50.15 C ATOM 1757 OE1 GLU A 109 -8.133 20.831 14.028 1.00 14.15 O ATOM 1758 OE2 GLU A 109 -8.546 19.439 12.388 1.00 32.24 O ATOM 0 H GLU A 109 -10.971 16.589 14.304 1.00 71.13 H new ATOM 0 HA GLU A 109 -8.237 17.211 13.928 1.00 3.40 H new ATOM 0 HB2 GLU A 109 -10.355 18.030 15.978 1.00 73.21 H new ATOM 0 HB3 GLU A 109 -8.748 18.729 15.978 1.00 73.21 H new ATOM 0 HG2 GLU A 109 -10.670 18.859 13.624 1.00 43.31 H new ATOM 0 HG3 GLU A 109 -10.489 20.124 14.823 1.00 43.31 H new ATOM 1765 N HIS A 110 -8.937 15.823 16.861 1.00 13.50 N ATOM 1766 CA HIS A 110 -8.380 15.234 18.096 1.00 43.50 C ATOM 1767 C HIS A 110 -7.197 14.263 17.855 1.00 74.22 C ATOM 1768 O HIS A 110 -6.040 14.640 18.150 1.00 36.81 O ATOM 1769 CB HIS A 110 -9.503 14.506 18.852 1.00 33.42 C ATOM 1770 CG HIS A 110 -9.344 14.542 20.333 1.00 23.31 C ATOM 1771 ND1 HIS A 110 -9.094 13.429 21.102 1.00 63.31 N ATOM 1772 CD2 HIS A 110 -9.427 15.579 21.191 1.00 54.32 C ATOM 1773 CE1 HIS A 110 -9.025 13.779 22.368 1.00 45.13 C ATOM 1774 NE2 HIS A 110 -9.226 15.079 22.453 1.00 2.51 N ATOM 0 H HIS A 110 -9.953 15.908 16.878 1.00 13.50 H new ATOM 0 HA HIS A 110 -7.976 16.059 18.683 1.00 43.50 H new ATOM 0 HB2 HIS A 110 -10.460 14.956 18.586 1.00 33.42 H new ATOM 0 HB3 HIS A 110 -9.537 13.467 18.523 1.00 33.42 H new ATOM 0 HD2 HIS A 110 -9.616 16.611 20.933 1.00 54.32 H new ATOM 0 HE1 HIS A 110 -8.836 13.114 23.198 1.00 45.13 H new ATOM 0 HE2 HIS A 110 -9.231 15.624 23.315 1.00 2.51 H new TER 1783 HIS A 110