USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 48 THR OG1 : rot 90:sc= 0.0469 USER MOD Set 1.2: A 55 TYR OH : rot -172:sc= 0.0347 USER MOD Set 2.1: A 23 SER OG : rot -104:sc= 0.939 USER MOD Set 2.2: A 26 SER OG : rot 71:sc= 0.645 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.225 (180deg=-0.76) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= 0.148 (180deg=-0.171) USER MOD Single : A 10 GLN :FLIP amide:sc=-0.00436 F(o=-0.75,f=-0.0044) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -3.41 (180deg=-5.28!) USER MOD Single : A 13 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= 0.371 (180deg=0.0445) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0481) USER MOD Single : A 29 GLN : amide:sc=-0.00799 X(o=-0.008,f=-0.44) USER MOD Single : A 34 GLN : amide:sc= -0.77 K(o=-0.77,f=-4.7!) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.002 (180deg=-0.111) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.279 F(o=-1.3,f=-0.28) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 49 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.0613 (180deg=0.0595) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0.457 (180deg=0.422) USER MOD Single : A 72 THR OG1 : rot -60:sc= -0.218 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.921 USER MOD Single : A 80 HIS : no HD1:sc= -0.038 K(o=-0.038,f=-1) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 83 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.011) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.985 -5.283 5.138 1.00 63.24 N ATOM 2 CA MET A 1 -23.573 -5.700 5.005 1.00 25.10 C ATOM 3 C MET A 1 -22.641 -4.492 5.244 1.00 22.03 C ATOM 4 O MET A 1 -22.670 -3.542 4.459 1.00 44.13 O ATOM 5 CB MET A 1 -23.336 -6.311 3.597 1.00 22.13 C ATOM 6 CG MET A 1 -21.905 -6.802 3.328 1.00 50.14 C ATOM 7 SD MET A 1 -21.727 -7.593 1.712 1.00 44.33 S ATOM 8 CE MET A 1 -22.912 -8.941 1.823 1.00 75.33 C ATOM 0 H1 MET A 1 -25.606 -6.102 4.976 1.00 63.24 H new ATOM 0 H2 MET A 1 -25.148 -4.909 6.095 1.00 63.24 H new ATOM 0 H3 MET A 1 -25.196 -4.544 4.437 1.00 63.24 H new ATOM 0 HA MET A 1 -23.348 -6.459 5.754 1.00 25.10 H new ATOM 0 HB2 MET A 1 -24.021 -7.148 3.462 1.00 22.13 H new ATOM 0 HB3 MET A 1 -23.593 -5.564 2.846 1.00 22.13 H new ATOM 0 HG2 MET A 1 -21.218 -5.958 3.392 1.00 50.14 H new ATOM 0 HG3 MET A 1 -21.616 -7.508 4.107 1.00 50.14 H new ATOM 0 HE1 MET A 1 -22.648 -9.717 1.105 1.00 75.33 H new ATOM 0 HE2 MET A 1 -22.896 -9.357 2.830 1.00 75.33 H new ATOM 0 HE3 MET A 1 -23.911 -8.566 1.601 1.00 75.33 H new ATOM 20 N PRO A 2 -21.831 -4.482 6.355 1.00 73.41 N ATOM 21 CA PRO A 2 -20.796 -3.458 6.569 1.00 74.25 C ATOM 22 C PRO A 2 -19.485 -3.842 5.831 1.00 54.05 C ATOM 23 O PRO A 2 -18.861 -4.863 6.129 1.00 35.14 O ATOM 24 CB PRO A 2 -20.639 -3.453 8.109 1.00 13.11 C ATOM 25 CG PRO A 2 -20.933 -4.863 8.539 1.00 60.34 C ATOM 26 CD PRO A 2 -21.878 -5.444 7.494 1.00 22.13 C ATOM 0 HA PRO A 2 -21.050 -2.473 6.177 1.00 74.25 H new ATOM 0 HB2 PRO A 2 -19.632 -3.154 8.401 1.00 13.11 H new ATOM 0 HB3 PRO A 2 -21.329 -2.748 8.573 1.00 13.11 H new ATOM 0 HG2 PRO A 2 -20.016 -5.449 8.602 1.00 60.34 H new ATOM 0 HG3 PRO A 2 -21.390 -4.880 9.528 1.00 60.34 H new ATOM 0 HD2 PRO A 2 -21.560 -6.439 7.184 1.00 22.13 H new ATOM 0 HD3 PRO A 2 -22.890 -5.541 7.887 1.00 22.13 H new ATOM 34 N SER A 3 -19.112 -3.027 4.841 1.00 23.34 N ATOM 35 CA SER A 3 -17.908 -3.257 4.007 1.00 31.31 C ATOM 36 C SER A 3 -16.745 -2.338 4.425 1.00 32.22 C ATOM 37 O SER A 3 -15.721 -2.301 3.740 1.00 55.42 O ATOM 38 CB SER A 3 -18.280 -3.017 2.536 1.00 45.52 C ATOM 39 OG SER A 3 -18.792 -1.706 2.341 1.00 12.44 O ATOM 0 H SER A 3 -19.630 -2.186 4.587 1.00 23.34 H new ATOM 0 HA SER A 3 -17.570 -4.284 4.147 1.00 31.31 H new ATOM 0 HB2 SER A 3 -17.401 -3.164 1.908 1.00 45.52 H new ATOM 0 HB3 SER A 3 -19.023 -3.750 2.222 1.00 45.52 H new ATOM 0 HG SER A 3 -19.019 -1.581 1.396 1.00 12.44 H new ATOM 45 N GLU A 4 -16.919 -1.638 5.566 1.00 61.02 N ATOM 46 CA GLU A 4 -15.976 -0.618 6.069 1.00 65.33 C ATOM 47 C GLU A 4 -14.596 -1.218 6.360 1.00 52.22 C ATOM 48 O GLU A 4 -13.581 -0.721 5.871 1.00 53.54 O ATOM 49 CB GLU A 4 -16.555 0.038 7.348 1.00 62.35 C ATOM 50 CG GLU A 4 -15.674 1.137 7.975 1.00 31.32 C ATOM 51 CD GLU A 4 -16.299 1.734 9.241 1.00 53.25 C ATOM 52 OE1 GLU A 4 -17.161 2.629 9.125 1.00 2.31 O ATOM 53 OE2 GLU A 4 -15.954 1.291 10.356 1.00 24.53 O ATOM 0 H GLU A 4 -17.730 -1.768 6.171 1.00 61.02 H new ATOM 0 HA GLU A 4 -15.848 0.138 5.294 1.00 65.33 H new ATOM 0 HB2 GLU A 4 -17.528 0.466 7.109 1.00 62.35 H new ATOM 0 HB3 GLU A 4 -16.723 -0.740 8.093 1.00 62.35 H new ATOM 0 HG2 GLU A 4 -14.696 0.721 8.217 1.00 31.32 H new ATOM 0 HG3 GLU A 4 -15.511 1.930 7.245 1.00 31.32 H new ATOM 60 N GLU A 5 -14.577 -2.294 7.156 1.00 63.23 N ATOM 61 CA GLU A 5 -13.332 -2.978 7.540 1.00 5.31 C ATOM 62 C GLU A 5 -12.723 -3.712 6.332 1.00 23.11 C ATOM 63 O GLU A 5 -11.495 -3.863 6.226 1.00 2.51 O ATOM 64 CB GLU A 5 -13.600 -3.953 8.716 1.00 12.34 C ATOM 65 CG GLU A 5 -12.327 -4.548 9.358 1.00 44.40 C ATOM 66 CD GLU A 5 -11.307 -3.472 9.791 1.00 61.45 C ATOM 67 OE1 GLU A 5 -11.664 -2.579 10.592 1.00 1.23 O ATOM 68 OE2 GLU A 5 -10.148 -3.513 9.337 1.00 55.13 O ATOM 0 H GLU A 5 -15.418 -2.715 7.551 1.00 63.23 H new ATOM 0 HA GLU A 5 -12.609 -2.234 7.874 1.00 5.31 H new ATOM 0 HB2 GLU A 5 -14.168 -3.428 9.484 1.00 12.34 H new ATOM 0 HB3 GLU A 5 -14.227 -4.770 8.358 1.00 12.34 H new ATOM 0 HG2 GLU A 5 -12.609 -5.143 10.227 1.00 44.40 H new ATOM 0 HG3 GLU A 5 -11.852 -5.226 8.648 1.00 44.40 H new ATOM 75 N GLU A 6 -13.606 -4.120 5.405 1.00 55.14 N ATOM 76 CA GLU A 6 -13.241 -4.799 4.165 1.00 43.10 C ATOM 77 C GLU A 6 -12.475 -3.859 3.224 1.00 45.33 C ATOM 78 O GLU A 6 -11.656 -4.325 2.431 1.00 72.23 O ATOM 79 CB GLU A 6 -14.503 -5.366 3.475 1.00 11.21 C ATOM 80 CG GLU A 6 -14.214 -6.230 2.243 1.00 31.32 C ATOM 81 CD GLU A 6 -15.475 -6.884 1.686 1.00 61.23 C ATOM 82 OE1 GLU A 6 -15.870 -7.957 2.191 1.00 73.23 O ATOM 83 OE2 GLU A 6 -16.084 -6.324 0.754 1.00 40.24 O ATOM 0 H GLU A 6 -14.612 -3.981 5.505 1.00 55.14 H new ATOM 0 HA GLU A 6 -12.579 -5.629 4.410 1.00 43.10 H new ATOM 0 HB2 GLU A 6 -15.062 -5.960 4.198 1.00 11.21 H new ATOM 0 HB3 GLU A 6 -15.145 -4.536 3.180 1.00 11.21 H new ATOM 0 HG2 GLU A 6 -13.755 -5.614 1.470 1.00 31.32 H new ATOM 0 HG3 GLU A 6 -13.492 -7.003 2.505 1.00 31.32 H new ATOM 90 N GLU A 7 -12.750 -2.537 3.321 1.00 53.23 N ATOM 91 CA GLU A 7 -12.007 -1.493 2.574 1.00 40.12 C ATOM 92 C GLU A 7 -10.513 -1.580 2.885 1.00 40.53 C ATOM 93 O GLU A 7 -9.681 -1.542 1.977 1.00 10.00 O ATOM 94 CB GLU A 7 -12.524 -0.076 2.911 1.00 45.52 C ATOM 95 CG GLU A 7 -13.990 0.167 2.540 1.00 50.31 C ATOM 96 CD GLU A 7 -14.421 1.606 2.834 1.00 53.55 C ATOM 97 OE1 GLU A 7 -14.657 2.384 1.881 1.00 41.43 O ATOM 98 OE2 GLU A 7 -14.497 1.968 4.025 1.00 54.12 O ATOM 0 H GLU A 7 -13.490 -2.165 3.916 1.00 53.23 H new ATOM 0 HA GLU A 7 -12.170 -1.672 1.511 1.00 40.12 H new ATOM 0 HB2 GLU A 7 -12.398 0.099 3.980 1.00 45.52 H new ATOM 0 HB3 GLU A 7 -11.905 0.656 2.393 1.00 45.52 H new ATOM 0 HG2 GLU A 7 -14.137 -0.047 1.481 1.00 50.31 H new ATOM 0 HG3 GLU A 7 -14.625 -0.523 3.096 1.00 50.31 H new ATOM 105 N LYS A 8 -10.204 -1.751 4.184 1.00 63.04 N ATOM 106 CA LYS A 8 -8.823 -1.908 4.668 1.00 75.03 C ATOM 107 C LYS A 8 -8.238 -3.216 4.099 1.00 21.32 C ATOM 108 O LYS A 8 -7.125 -3.219 3.586 1.00 73.21 O ATOM 109 CB LYS A 8 -8.734 -1.928 6.230 1.00 13.22 C ATOM 110 CG LYS A 8 -9.152 -0.624 6.979 1.00 11.20 C ATOM 111 CD LYS A 8 -10.671 -0.341 6.933 1.00 3.45 C ATOM 112 CE LYS A 8 -11.138 0.678 7.986 1.00 25.05 C ATOM 113 NZ LYS A 8 -10.916 0.178 9.369 1.00 70.21 N ATOM 0 H LYS A 8 -10.904 -1.784 4.925 1.00 63.04 H new ATOM 0 HA LYS A 8 -8.250 -1.047 4.325 1.00 75.03 H new ATOM 0 HB2 LYS A 8 -9.359 -2.743 6.595 1.00 13.22 H new ATOM 0 HB3 LYS A 8 -7.707 -2.164 6.508 1.00 13.22 H new ATOM 0 HG2 LYS A 8 -8.836 -0.696 8.020 1.00 11.20 H new ATOM 0 HG3 LYS A 8 -8.620 0.222 6.542 1.00 11.20 H new ATOM 0 HD2 LYS A 8 -10.934 0.027 5.941 1.00 3.45 H new ATOM 0 HD3 LYS A 8 -11.211 -1.276 7.080 1.00 3.45 H new ATOM 0 HE2 LYS A 8 -10.602 1.617 7.848 1.00 25.05 H new ATOM 0 HE3 LYS A 8 -12.197 0.892 7.842 1.00 25.05 H new ATOM 0 HZ1 LYS A 8 -11.500 0.725 10.034 1.00 70.21 H new ATOM 0 HZ2 LYS A 8 -11.180 -0.827 9.422 1.00 70.21 H new ATOM 0 HZ3 LYS A 8 -9.913 0.286 9.620 1.00 70.21 H new ATOM 127 N ARG A 9 -9.034 -4.314 4.163 1.00 3.53 N ATOM 128 CA ARG A 9 -8.622 -5.670 3.689 1.00 63.10 C ATOM 129 C ARG A 9 -8.232 -5.657 2.196 1.00 30.54 C ATOM 130 O ARG A 9 -7.247 -6.293 1.790 1.00 75.54 O ATOM 131 CB ARG A 9 -9.745 -6.721 3.951 1.00 2.23 C ATOM 132 CG ARG A 9 -10.157 -6.832 5.432 1.00 53.23 C ATOM 133 CD ARG A 9 -11.051 -8.051 5.735 1.00 3.20 C ATOM 134 NE ARG A 9 -12.365 -8.033 5.037 1.00 25.22 N ATOM 135 CZ ARG A 9 -13.543 -8.386 5.603 1.00 14.14 C ATOM 136 NH1 ARG A 9 -13.598 -8.769 6.872 1.00 22.13 N ATOM 137 NH2 ARG A 9 -14.657 -8.390 4.880 1.00 73.34 N ATOM 0 H ARG A 9 -9.980 -4.289 4.544 1.00 3.53 H new ATOM 0 HA ARG A 9 -7.740 -5.958 4.262 1.00 63.10 H new ATOM 0 HB2 ARG A 9 -10.621 -6.459 3.358 1.00 2.23 H new ATOM 0 HB3 ARG A 9 -9.405 -7.697 3.603 1.00 2.23 H new ATOM 0 HG2 ARG A 9 -9.259 -6.889 6.047 1.00 53.23 H new ATOM 0 HG3 ARG A 9 -10.685 -5.924 5.723 1.00 53.23 H new ATOM 0 HD2 ARG A 9 -10.516 -8.958 5.455 1.00 3.20 H new ATOM 0 HD3 ARG A 9 -11.224 -8.102 6.810 1.00 3.20 H new ATOM 0 HE ARG A 9 -12.379 -7.733 4.062 1.00 25.22 H new ATOM 0 HH11 ARG A 9 -12.747 -8.800 7.433 1.00 22.13 H new ATOM 0 HH12 ARG A 9 -14.492 -9.033 7.287 1.00 22.13 H new ATOM 0 HH21 ARG A 9 -14.627 -8.127 3.895 1.00 73.34 H new ATOM 0 HH22 ARG A 9 -15.543 -8.657 5.310 1.00 73.34 H new ATOM 151 N GLN A 10 -9.014 -4.895 1.409 1.00 51.03 N ATOM 152 CA GLN A 10 -8.796 -4.703 -0.035 1.00 11.41 C ATOM 153 C GLN A 10 -7.512 -3.909 -0.277 1.00 45.05 C ATOM 154 O GLN A 10 -6.617 -4.385 -0.963 1.00 43.12 O ATOM 155 CB GLN A 10 -10.007 -3.970 -0.679 1.00 41.20 C ATOM 156 CG GLN A 10 -11.307 -4.796 -0.704 1.00 61.22 C ATOM 157 CD GLN A 10 -12.510 -3.948 -1.101 1.00 74.01 C ATOM 158 OE1 GLN A 10 -13.169 -3.359 -0.119 1.00 22.13 O flip ATOM 159 NE2 GLN A 10 -12.823 -3.805 -2.279 1.00 60.22 N flip ATOM 0 H GLN A 10 -9.825 -4.389 1.764 1.00 51.03 H new ATOM 0 HA GLN A 10 -8.697 -5.684 -0.500 1.00 11.41 H new ATOM 0 HB2 GLN A 10 -10.189 -3.044 -0.133 1.00 41.20 H new ATOM 0 HB3 GLN A 10 -9.747 -3.692 -1.700 1.00 41.20 H new ATOM 0 HG2 GLN A 10 -11.198 -5.623 -1.405 1.00 61.22 H new ATOM 0 HG3 GLN A 10 -11.479 -5.233 0.280 1.00 61.22 H new ATOM 0 HE21 GLN A 10 -12.289 -4.276 -3.009 1.00 60.22 H new ATOM 0 HE22 GLN A 10 -13.617 -3.215 -2.528 1.00 60.22 H new ATOM 168 N VAL A 11 -7.425 -2.720 0.345 1.00 24.41 N ATOM 169 CA VAL A 11 -6.339 -1.745 0.108 1.00 62.50 C ATOM 170 C VAL A 11 -4.964 -2.276 0.556 1.00 74.40 C ATOM 171 O VAL A 11 -3.967 -2.000 -0.107 1.00 53.12 O ATOM 172 CB VAL A 11 -6.669 -0.365 0.796 1.00 14.43 C ATOM 173 CG1 VAL A 11 -5.487 0.628 0.752 1.00 3.30 C ATOM 174 CG2 VAL A 11 -7.909 0.263 0.136 1.00 65.44 C ATOM 0 H VAL A 11 -8.110 -2.404 1.032 1.00 24.41 H new ATOM 0 HA VAL A 11 -6.277 -1.588 -0.969 1.00 62.50 H new ATOM 0 HB VAL A 11 -6.868 -0.572 1.848 1.00 14.43 H new ATOM 0 HG11 VAL A 11 -5.775 1.559 1.241 1.00 3.30 H new ATOM 0 HG12 VAL A 11 -4.630 0.197 1.269 1.00 3.30 H new ATOM 0 HG13 VAL A 11 -5.220 0.831 -0.285 1.00 3.30 H new ATOM 0 HG21 VAL A 11 -8.133 1.216 0.615 1.00 65.44 H new ATOM 0 HG22 VAL A 11 -7.714 0.427 -0.924 1.00 65.44 H new ATOM 0 HG23 VAL A 11 -8.760 -0.408 0.249 1.00 65.44 H new ATOM 184 N LYS A 12 -4.922 -3.041 1.663 1.00 4.44 N ATOM 185 CA LYS A 12 -3.672 -3.676 2.151 1.00 31.30 C ATOM 186 C LYS A 12 -3.181 -4.721 1.146 1.00 54.12 C ATOM 187 O LYS A 12 -1.979 -4.817 0.880 1.00 3.33 O ATOM 188 CB LYS A 12 -3.872 -4.378 3.517 1.00 54.31 C ATOM 189 CG LYS A 12 -4.245 -3.458 4.691 1.00 70.05 C ATOM 190 CD LYS A 12 -4.433 -4.228 6.033 1.00 72.11 C ATOM 191 CE LYS A 12 -5.679 -5.139 6.086 1.00 61.13 C ATOM 192 NZ LYS A 12 -5.607 -6.321 5.178 1.00 22.45 N ATOM 0 H LYS A 12 -5.739 -3.238 2.241 1.00 4.44 H new ATOM 0 HA LYS A 12 -2.939 -2.878 2.267 1.00 31.30 H new ATOM 0 HB2 LYS A 12 -4.653 -5.131 3.407 1.00 54.31 H new ATOM 0 HB3 LYS A 12 -2.953 -4.906 3.771 1.00 54.31 H new ATOM 0 HG2 LYS A 12 -3.467 -2.705 4.817 1.00 70.05 H new ATOM 0 HG3 LYS A 12 -5.166 -2.927 4.451 1.00 70.05 H new ATOM 0 HD2 LYS A 12 -3.547 -4.837 6.214 1.00 72.11 H new ATOM 0 HD3 LYS A 12 -4.494 -3.504 6.846 1.00 72.11 H new ATOM 0 HE2 LYS A 12 -5.818 -5.488 7.109 1.00 61.13 H new ATOM 0 HE3 LYS A 12 -6.559 -4.549 5.828 1.00 61.13 H new ATOM 0 HZ1 LYS A 12 -6.179 -7.096 5.571 1.00 22.45 H new ATOM 0 HZ2 LYS A 12 -5.973 -6.061 4.240 1.00 22.45 H new ATOM 0 HZ3 LYS A 12 -4.618 -6.631 5.090 1.00 22.45 H new ATOM 206 N GLN A 13 -4.136 -5.517 0.615 1.00 63.21 N ATOM 207 CA GLN A 13 -3.846 -6.575 -0.362 1.00 25.41 C ATOM 208 C GLN A 13 -3.346 -5.962 -1.673 1.00 2.34 C ATOM 209 O GLN A 13 -2.307 -6.359 -2.178 1.00 34.12 O ATOM 210 CB GLN A 13 -5.090 -7.469 -0.610 1.00 11.44 C ATOM 211 CG GLN A 13 -4.841 -8.655 -1.574 1.00 1.44 C ATOM 212 CD GLN A 13 -6.081 -9.520 -1.857 1.00 64.11 C ATOM 213 OE1 GLN A 13 -5.970 -10.724 -2.070 1.00 21.03 O ATOM 214 NE2 GLN A 13 -7.264 -8.912 -1.903 1.00 61.14 N ATOM 0 H GLN A 13 -5.124 -5.440 0.855 1.00 63.21 H new ATOM 0 HA GLN A 13 -3.061 -7.211 0.048 1.00 25.41 H new ATOM 0 HB2 GLN A 13 -5.438 -7.860 0.346 1.00 11.44 H new ATOM 0 HB3 GLN A 13 -5.892 -6.851 -1.013 1.00 11.44 H new ATOM 0 HG2 GLN A 13 -4.463 -8.265 -2.519 1.00 1.44 H new ATOM 0 HG3 GLN A 13 -4.060 -9.289 -1.155 1.00 1.44 H new ATOM 0 HE21 GLN A 13 -7.330 -7.910 -1.722 1.00 61.14 H new ATOM 0 HE22 GLN A 13 -8.105 -9.448 -2.119 1.00 61.14 H new ATOM 223 N VAL A 14 -4.077 -4.958 -2.184 1.00 71.54 N ATOM 224 CA VAL A 14 -3.707 -4.234 -3.412 1.00 51.22 C ATOM 225 C VAL A 14 -2.309 -3.612 -3.251 1.00 14.11 C ATOM 226 O VAL A 14 -1.451 -3.797 -4.104 1.00 12.40 O ATOM 227 CB VAL A 14 -4.777 -3.127 -3.785 1.00 74.43 C ATOM 228 CG1 VAL A 14 -4.336 -2.273 -5.003 1.00 4.25 C ATOM 229 CG2 VAL A 14 -6.163 -3.766 -4.046 1.00 71.54 C ATOM 0 H VAL A 14 -4.942 -4.625 -1.757 1.00 71.54 H new ATOM 0 HA VAL A 14 -3.686 -4.949 -4.234 1.00 51.22 H new ATOM 0 HB VAL A 14 -4.854 -2.458 -2.928 1.00 74.43 H new ATOM 0 HG11 VAL A 14 -5.101 -1.528 -5.221 1.00 4.25 H new ATOM 0 HG12 VAL A 14 -3.396 -1.771 -4.774 1.00 4.25 H new ATOM 0 HG13 VAL A 14 -4.201 -2.919 -5.871 1.00 4.25 H new ATOM 0 HG21 VAL A 14 -6.881 -2.986 -4.300 1.00 71.54 H new ATOM 0 HG22 VAL A 14 -6.088 -4.473 -4.872 1.00 71.54 H new ATOM 0 HG23 VAL A 14 -6.497 -4.289 -3.150 1.00 71.54 H new ATOM 239 N ALA A 15 -2.088 -2.963 -2.096 1.00 1.24 N ATOM 240 CA ALA A 15 -0.828 -2.273 -1.773 1.00 52.03 C ATOM 241 C ALA A 15 0.371 -3.224 -1.772 1.00 11.33 C ATOM 242 O ALA A 15 1.392 -2.947 -2.421 1.00 30.10 O ATOM 243 CB ALA A 15 -0.946 -1.603 -0.411 1.00 1.13 C ATOM 0 H ALA A 15 -2.785 -2.902 -1.354 1.00 1.24 H new ATOM 0 HA ALA A 15 -0.656 -1.527 -2.549 1.00 52.03 H new ATOM 0 HB1 ALA A 15 -0.012 -1.093 -0.174 1.00 1.13 H new ATOM 0 HB2 ALA A 15 -1.760 -0.878 -0.431 1.00 1.13 H new ATOM 0 HB3 ALA A 15 -1.150 -2.357 0.349 1.00 1.13 H new ATOM 249 N LYS A 16 0.233 -4.340 -1.024 1.00 12.14 N ATOM 250 CA LYS A 16 1.299 -5.342 -0.891 1.00 44.35 C ATOM 251 C LYS A 16 1.601 -5.982 -2.246 1.00 53.45 C ATOM 252 O LYS A 16 2.767 -6.172 -2.581 1.00 21.44 O ATOM 253 CB LYS A 16 0.971 -6.414 0.195 1.00 61.23 C ATOM 254 CG LYS A 16 -0.189 -7.379 -0.120 1.00 13.10 C ATOM 255 CD LYS A 16 -0.438 -8.421 1.002 1.00 32.01 C ATOM 256 CE LYS A 16 0.680 -9.472 1.096 1.00 43.33 C ATOM 257 NZ LYS A 16 0.748 -10.320 -0.124 1.00 73.32 N ATOM 0 H LYS A 16 -0.614 -4.565 -0.502 1.00 12.14 H new ATOM 0 HA LYS A 16 2.197 -4.827 -0.549 1.00 44.35 H new ATOM 0 HB2 LYS A 16 1.869 -7.006 0.372 1.00 61.23 H new ATOM 0 HB3 LYS A 16 0.741 -5.897 1.127 1.00 61.23 H new ATOM 0 HG2 LYS A 16 -1.100 -6.802 -0.280 1.00 13.10 H new ATOM 0 HG3 LYS A 16 0.025 -7.902 -1.052 1.00 13.10 H new ATOM 0 HD2 LYS A 16 -0.527 -7.905 1.958 1.00 32.01 H new ATOM 0 HD3 LYS A 16 -1.388 -8.923 0.821 1.00 32.01 H new ATOM 0 HE2 LYS A 16 1.637 -8.972 1.244 1.00 43.33 H new ATOM 0 HE3 LYS A 16 0.512 -10.104 1.968 1.00 43.33 H new ATOM 0 HZ1 LYS A 16 0.366 -11.264 0.087 1.00 73.32 H new ATOM 0 HZ2 LYS A 16 0.188 -9.882 -0.883 1.00 73.32 H new ATOM 0 HZ3 LYS A 16 1.738 -10.408 -0.431 1.00 73.32 H new ATOM 271 N GLU A 17 0.543 -6.247 -3.047 1.00 21.45 N ATOM 272 CA GLU A 17 0.688 -6.831 -4.390 1.00 24.35 C ATOM 273 C GLU A 17 1.396 -5.854 -5.341 1.00 40.53 C ATOM 274 O GLU A 17 2.245 -6.276 -6.118 1.00 73.53 O ATOM 275 CB GLU A 17 -0.676 -7.261 -4.996 1.00 3.35 C ATOM 276 CG GLU A 17 -1.399 -8.393 -4.240 1.00 41.24 C ATOM 277 CD GLU A 17 -0.524 -9.630 -3.969 1.00 14.34 C ATOM 278 OE1 GLU A 17 -0.264 -10.402 -4.915 1.00 15.33 O ATOM 279 OE2 GLU A 17 -0.119 -9.852 -2.801 1.00 35.31 O ATOM 0 H GLU A 17 -0.424 -6.062 -2.779 1.00 21.45 H new ATOM 0 HA GLU A 17 1.299 -7.726 -4.276 1.00 24.35 H new ATOM 0 HB2 GLU A 17 -1.332 -6.391 -5.030 1.00 3.35 H new ATOM 0 HB3 GLU A 17 -0.515 -7.578 -6.026 1.00 3.35 H new ATOM 0 HG2 GLU A 17 -1.764 -8.004 -3.289 1.00 41.24 H new ATOM 0 HG3 GLU A 17 -2.273 -8.699 -4.816 1.00 41.24 H new ATOM 286 N LYS A 18 1.049 -4.552 -5.250 1.00 64.34 N ATOM 287 CA LYS A 18 1.641 -3.487 -6.094 1.00 34.43 C ATOM 288 C LYS A 18 3.152 -3.332 -5.809 1.00 53.41 C ATOM 289 O LYS A 18 3.947 -3.039 -6.715 1.00 64.43 O ATOM 290 CB LYS A 18 0.919 -2.121 -5.891 1.00 11.21 C ATOM 291 CG LYS A 18 -0.532 -2.040 -6.417 1.00 32.43 C ATOM 292 CD LYS A 18 -0.656 -2.331 -7.927 1.00 62.24 C ATOM 293 CE LYS A 18 -2.099 -2.180 -8.448 1.00 30.51 C ATOM 294 NZ LYS A 18 -2.185 -2.470 -9.903 1.00 1.53 N ATOM 0 H LYS A 18 0.351 -4.208 -4.590 1.00 64.34 H new ATOM 0 HA LYS A 18 1.506 -3.790 -7.132 1.00 34.43 H new ATOM 0 HB2 LYS A 18 0.912 -1.890 -4.826 1.00 11.21 H new ATOM 0 HB3 LYS A 18 1.507 -1.345 -6.381 1.00 11.21 H new ATOM 0 HG2 LYS A 18 -1.150 -2.749 -5.866 1.00 32.43 H new ATOM 0 HG3 LYS A 18 -0.929 -1.046 -6.213 1.00 32.43 H new ATOM 0 HD2 LYS A 18 -0.003 -1.654 -8.478 1.00 62.24 H new ATOM 0 HD3 LYS A 18 -0.306 -3.344 -8.127 1.00 62.24 H new ATOM 0 HE2 LYS A 18 -2.757 -2.856 -7.902 1.00 30.51 H new ATOM 0 HE3 LYS A 18 -2.452 -1.167 -8.256 1.00 30.51 H new ATOM 0 HZ1 LYS A 18 -3.169 -2.359 -10.221 1.00 1.53 H new ATOM 0 HZ2 LYS A 18 -1.576 -1.809 -10.425 1.00 1.53 H new ATOM 0 HZ3 LYS A 18 -1.871 -3.445 -10.082 1.00 1.53 H new ATOM 308 N LEU A 19 3.524 -3.523 -4.537 1.00 75.11 N ATOM 309 CA LEU A 19 4.931 -3.508 -4.093 1.00 13.32 C ATOM 310 C LEU A 19 5.663 -4.803 -4.490 1.00 54.20 C ATOM 311 O LEU A 19 6.871 -4.783 -4.749 1.00 32.25 O ATOM 312 CB LEU A 19 4.991 -3.258 -2.566 1.00 62.50 C ATOM 313 CG LEU A 19 4.565 -1.829 -2.114 1.00 63.42 C ATOM 314 CD1 LEU A 19 4.698 -1.656 -0.587 1.00 42.43 C ATOM 315 CD2 LEU A 19 5.366 -0.747 -2.873 1.00 74.14 C ATOM 0 H LEU A 19 2.859 -3.693 -3.782 1.00 75.11 H new ATOM 0 HA LEU A 19 5.450 -2.693 -4.598 1.00 13.32 H new ATOM 0 HB2 LEU A 19 4.350 -3.986 -2.069 1.00 62.50 H new ATOM 0 HB3 LEU A 19 6.009 -3.443 -2.223 1.00 62.50 H new ATOM 0 HG LEU A 19 3.512 -1.703 -2.364 1.00 63.42 H new ATOM 0 HD11 LEU A 19 4.393 -0.648 -0.307 1.00 42.43 H new ATOM 0 HD12 LEU A 19 4.061 -2.382 -0.082 1.00 42.43 H new ATOM 0 HD13 LEU A 19 5.735 -1.816 -0.292 1.00 42.43 H new ATOM 0 HD21 LEU A 19 5.050 0.241 -2.539 1.00 74.14 H new ATOM 0 HD22 LEU A 19 6.430 -0.874 -2.673 1.00 74.14 H new ATOM 0 HD23 LEU A 19 5.184 -0.844 -3.943 1.00 74.14 H new ATOM 327 N LEU A 20 4.908 -5.910 -4.554 1.00 11.13 N ATOM 328 CA LEU A 20 5.413 -7.215 -5.023 1.00 5.31 C ATOM 329 C LEU A 20 5.611 -7.213 -6.550 1.00 53.31 C ATOM 330 O LEU A 20 6.491 -7.918 -7.049 1.00 61.40 O ATOM 331 CB LEU A 20 4.461 -8.359 -4.563 1.00 2.41 C ATOM 332 CG LEU A 20 4.489 -8.671 -3.025 1.00 32.10 C ATOM 333 CD1 LEU A 20 3.309 -9.573 -2.598 1.00 72.50 C ATOM 334 CD2 LEU A 20 5.841 -9.281 -2.605 1.00 60.25 C ATOM 0 H LEU A 20 3.925 -5.928 -4.281 1.00 11.13 H new ATOM 0 HA LEU A 20 6.390 -7.394 -4.574 1.00 5.31 H new ATOM 0 HB2 LEU A 20 3.441 -8.098 -4.846 1.00 2.41 H new ATOM 0 HB3 LEU A 20 4.720 -9.267 -5.107 1.00 2.41 H new ATOM 0 HG LEU A 20 4.373 -7.722 -2.501 1.00 32.10 H new ATOM 0 HD11 LEU A 20 3.366 -9.764 -1.526 1.00 72.50 H new ATOM 0 HD12 LEU A 20 2.368 -9.074 -2.827 1.00 72.50 H new ATOM 0 HD13 LEU A 20 3.359 -10.518 -3.139 1.00 72.50 H new ATOM 0 HD21 LEU A 20 5.831 -9.486 -1.535 1.00 60.25 H new ATOM 0 HD22 LEU A 20 6.007 -10.210 -3.151 1.00 60.25 H new ATOM 0 HD23 LEU A 20 6.643 -8.579 -2.832 1.00 60.25 H new ATOM 346 N GLU A 21 4.814 -6.388 -7.288 1.00 35.13 N ATOM 347 CA GLU A 21 4.975 -6.194 -8.759 1.00 53.15 C ATOM 348 C GLU A 21 6.376 -5.657 -9.071 1.00 22.25 C ATOM 349 O GLU A 21 6.978 -5.994 -10.093 1.00 55.44 O ATOM 350 CB GLU A 21 3.940 -5.172 -9.340 1.00 12.11 C ATOM 351 CG GLU A 21 2.452 -5.475 -9.087 1.00 55.03 C ATOM 352 CD GLU A 21 1.965 -6.833 -9.614 1.00 75.32 C ATOM 353 OE1 GLU A 21 1.749 -6.964 -10.836 1.00 65.23 O ATOM 354 OE2 GLU A 21 1.763 -7.765 -8.808 1.00 33.31 O ATOM 0 H GLU A 21 4.050 -5.845 -6.885 1.00 35.13 H new ATOM 0 HA GLU A 21 4.812 -7.169 -9.218 1.00 53.15 H new ATOM 0 HB2 GLU A 21 4.162 -4.189 -8.925 1.00 12.11 H new ATOM 0 HB3 GLU A 21 4.095 -5.105 -10.417 1.00 12.11 H new ATOM 0 HG2 GLU A 21 2.266 -5.431 -8.014 1.00 55.03 H new ATOM 0 HG3 GLU A 21 1.854 -4.688 -9.547 1.00 55.03 H new ATOM 361 N GLN A 22 6.855 -4.794 -8.162 1.00 5.23 N ATOM 362 CA GLN A 22 8.134 -4.078 -8.290 1.00 22.11 C ATOM 363 C GLN A 22 9.285 -4.867 -7.626 1.00 12.52 C ATOM 364 O GLN A 22 10.433 -4.797 -8.074 1.00 54.41 O ATOM 365 CB GLN A 22 7.980 -2.677 -7.642 1.00 61.44 C ATOM 366 CG GLN A 22 6.818 -1.834 -8.221 1.00 51.53 C ATOM 367 CD GLN A 22 6.598 -0.516 -7.467 1.00 43.04 C ATOM 368 OE1 GLN A 22 5.775 -0.552 -6.428 1.00 4.30 O flip ATOM 369 NE2 GLN A 22 7.171 0.519 -7.807 1.00 21.40 N flip ATOM 0 H GLN A 22 6.355 -4.570 -7.302 1.00 5.23 H new ATOM 0 HA GLN A 22 8.387 -3.972 -9.345 1.00 22.11 H new ATOM 0 HB2 GLN A 22 7.826 -2.800 -6.570 1.00 61.44 H new ATOM 0 HB3 GLN A 22 8.912 -2.126 -7.769 1.00 61.44 H new ATOM 0 HG2 GLN A 22 7.022 -1.616 -9.269 1.00 51.53 H new ATOM 0 HG3 GLN A 22 5.900 -2.421 -8.190 1.00 51.53 H new ATOM 0 HE21 GLN A 22 7.798 0.514 -8.611 1.00 21.40 H new ATOM 0 HE22 GLN A 22 7.019 1.382 -7.284 1.00 21.40 H new ATOM 378 N SER A 23 8.957 -5.636 -6.570 1.00 1.44 N ATOM 379 CA SER A 23 9.957 -6.369 -5.775 1.00 5.11 C ATOM 380 C SER A 23 9.352 -7.681 -5.208 1.00 52.14 C ATOM 381 O SER A 23 8.786 -7.688 -4.104 1.00 4.21 O ATOM 382 CB SER A 23 10.505 -5.459 -4.647 1.00 12.14 C ATOM 383 OG SER A 23 11.637 -6.038 -4.013 1.00 44.11 O ATOM 0 H SER A 23 7.998 -5.765 -6.247 1.00 1.44 H new ATOM 0 HA SER A 23 10.790 -6.648 -6.420 1.00 5.11 H new ATOM 0 HB2 SER A 23 10.776 -4.488 -5.061 1.00 12.14 H new ATOM 0 HB3 SER A 23 9.723 -5.283 -3.908 1.00 12.14 H new ATOM 0 HG SER A 23 11.375 -6.397 -3.139 1.00 44.11 H new ATOM 389 N PRO A 24 9.427 -8.819 -5.990 1.00 52.15 N ATOM 390 CA PRO A 24 8.916 -10.146 -5.548 1.00 23.14 C ATOM 391 C PRO A 24 9.835 -10.846 -4.527 1.00 51.01 C ATOM 392 O PRO A 24 9.395 -11.737 -3.794 1.00 12.03 O ATOM 393 CB PRO A 24 8.853 -10.947 -6.873 1.00 41.05 C ATOM 394 CG PRO A 24 9.929 -10.354 -7.732 1.00 75.42 C ATOM 395 CD PRO A 24 9.981 -8.880 -7.381 1.00 3.41 C ATOM 0 HA PRO A 24 7.962 -10.061 -5.028 1.00 23.14 H new ATOM 0 HB2 PRO A 24 9.025 -12.010 -6.701 1.00 41.05 H new ATOM 0 HB3 PRO A 24 7.875 -10.855 -7.345 1.00 41.05 H new ATOM 0 HG2 PRO A 24 10.889 -10.834 -7.542 1.00 75.42 H new ATOM 0 HG3 PRO A 24 9.706 -10.495 -8.790 1.00 75.42 H new ATOM 0 HD2 PRO A 24 11.000 -8.496 -7.422 1.00 3.41 H new ATOM 0 HD3 PRO A 24 9.387 -8.284 -8.074 1.00 3.41 H new ATOM 403 N ASN A 25 11.112 -10.428 -4.503 1.00 41.12 N ATOM 404 CA ASN A 25 12.149 -11.035 -3.644 1.00 22.15 C ATOM 405 C ASN A 25 12.038 -10.550 -2.187 1.00 62.21 C ATOM 406 O ASN A 25 12.670 -11.118 -1.288 1.00 11.23 O ATOM 407 CB ASN A 25 13.556 -10.713 -4.218 1.00 74.11 C ATOM 408 CG ASN A 25 13.793 -11.248 -5.639 1.00 53.30 C ATOM 409 OD1 ASN A 25 14.491 -10.626 -6.435 1.00 14.40 O ATOM 410 ND2 ASN A 25 13.264 -12.421 -5.958 1.00 33.22 N ATOM 0 H ASN A 25 11.457 -9.659 -5.078 1.00 41.12 H new ATOM 0 HA ASN A 25 11.997 -12.114 -3.639 1.00 22.15 H new ATOM 0 HB2 ASN A 25 13.697 -9.632 -4.220 1.00 74.11 H new ATOM 0 HB3 ASN A 25 14.312 -11.131 -3.553 1.00 74.11 H new ATOM 0 HD21 ASN A 25 13.434 -12.823 -6.880 1.00 33.22 H new ATOM 0 HD22 ASN A 25 12.687 -12.921 -5.282 1.00 33.22 H new ATOM 417 N SER A 26 11.248 -9.492 -1.970 1.00 22.51 N ATOM 418 CA SER A 26 10.991 -8.930 -0.638 1.00 24.32 C ATOM 419 C SER A 26 9.581 -9.292 -0.167 1.00 14.12 C ATOM 420 O SER A 26 8.625 -9.196 -0.942 1.00 24.15 O ATOM 421 CB SER A 26 11.132 -7.399 -0.693 1.00 33.01 C ATOM 422 OG SER A 26 10.290 -6.838 -1.692 1.00 20.21 O ATOM 0 H SER A 26 10.765 -8.997 -2.720 1.00 22.51 H new ATOM 0 HA SER A 26 11.715 -9.345 0.064 1.00 24.32 H new ATOM 0 HB2 SER A 26 10.881 -6.973 0.278 1.00 33.01 H new ATOM 0 HB3 SER A 26 12.169 -7.134 -0.898 1.00 33.01 H new ATOM 0 HG SER A 26 9.355 -6.905 -1.407 1.00 20.21 H new ATOM 428 N LYS A 27 9.462 -9.710 1.100 1.00 35.23 N ATOM 429 CA LYS A 27 8.175 -9.836 1.778 1.00 40.03 C ATOM 430 C LYS A 27 7.672 -8.432 2.145 1.00 55.22 C ATOM 431 O LYS A 27 8.408 -7.650 2.764 1.00 34.23 O ATOM 432 CB LYS A 27 8.322 -10.702 3.051 1.00 3.25 C ATOM 433 CG LYS A 27 7.004 -10.892 3.842 1.00 14.34 C ATOM 434 CD LYS A 27 7.181 -11.756 5.112 1.00 11.30 C ATOM 435 CE LYS A 27 7.737 -13.157 4.809 1.00 34.54 C ATOM 436 NZ LYS A 27 6.891 -13.904 3.841 1.00 51.02 N ATOM 0 H LYS A 27 10.260 -9.970 1.680 1.00 35.23 H new ATOM 0 HA LYS A 27 7.458 -10.323 1.117 1.00 40.03 H new ATOM 0 HB2 LYS A 27 8.708 -11.681 2.769 1.00 3.25 H new ATOM 0 HB3 LYS A 27 9.063 -10.244 3.706 1.00 3.25 H new ATOM 0 HG2 LYS A 27 6.613 -9.915 4.126 1.00 14.34 H new ATOM 0 HG3 LYS A 27 6.261 -11.357 3.194 1.00 14.34 H new ATOM 0 HD2 LYS A 27 7.853 -11.245 5.802 1.00 11.30 H new ATOM 0 HD3 LYS A 27 6.220 -11.853 5.616 1.00 11.30 H new ATOM 0 HE2 LYS A 27 8.747 -13.066 4.410 1.00 34.54 H new ATOM 0 HE3 LYS A 27 7.811 -13.724 5.737 1.00 34.54 H new ATOM 0 HZ1 LYS A 27 7.248 -14.876 3.746 1.00 51.02 H new ATOM 0 HZ2 LYS A 27 5.909 -13.928 4.184 1.00 51.02 H new ATOM 0 HZ3 LYS A 27 6.923 -13.431 2.915 1.00 51.02 H new ATOM 450 N VAL A 28 6.441 -8.111 1.735 1.00 4.35 N ATOM 451 CA VAL A 28 5.828 -6.809 2.011 1.00 62.04 C ATOM 452 C VAL A 28 4.849 -6.944 3.192 1.00 11.15 C ATOM 453 O VAL A 28 3.818 -7.619 3.086 1.00 42.24 O ATOM 454 CB VAL A 28 5.105 -6.234 0.741 1.00 60.01 C ATOM 455 CG1 VAL A 28 4.504 -4.846 1.035 1.00 2.22 C ATOM 456 CG2 VAL A 28 6.075 -6.177 -0.467 1.00 2.10 C ATOM 0 H VAL A 28 5.843 -8.745 1.204 1.00 4.35 H new ATOM 0 HA VAL A 28 6.614 -6.102 2.278 1.00 62.04 H new ATOM 0 HB VAL A 28 4.287 -6.906 0.482 1.00 60.01 H new ATOM 0 HG11 VAL A 28 4.008 -4.467 0.141 1.00 2.22 H new ATOM 0 HG12 VAL A 28 3.779 -4.928 1.845 1.00 2.22 H new ATOM 0 HG13 VAL A 28 5.299 -4.160 1.327 1.00 2.22 H new ATOM 0 HG21 VAL A 28 5.552 -5.776 -1.335 1.00 2.10 H new ATOM 0 HG22 VAL A 28 6.921 -5.534 -0.224 1.00 2.10 H new ATOM 0 HG23 VAL A 28 6.435 -7.181 -0.693 1.00 2.10 H new ATOM 466 N GLN A 29 5.196 -6.303 4.313 1.00 55.45 N ATOM 467 CA GLN A 29 4.424 -6.315 5.560 1.00 32.24 C ATOM 468 C GLN A 29 3.609 -5.023 5.666 1.00 13.01 C ATOM 469 O GLN A 29 4.189 -3.943 5.602 1.00 74.32 O ATOM 470 CB GLN A 29 5.411 -6.418 6.763 1.00 55.12 C ATOM 471 CG GLN A 29 6.226 -7.721 6.818 1.00 0.03 C ATOM 472 CD GLN A 29 5.357 -8.958 7.058 1.00 54.41 C ATOM 473 OE1 GLN A 29 4.881 -9.603 6.127 1.00 45.42 O ATOM 474 NE2 GLN A 29 5.127 -9.285 8.314 1.00 15.04 N ATOM 0 H GLN A 29 6.047 -5.745 4.380 1.00 55.45 H new ATOM 0 HA GLN A 29 3.744 -7.167 5.570 1.00 32.24 H new ATOM 0 HB2 GLN A 29 6.101 -5.576 6.722 1.00 55.12 H new ATOM 0 HB3 GLN A 29 4.844 -6.321 7.689 1.00 55.12 H new ATOM 0 HG2 GLN A 29 6.771 -7.842 5.882 1.00 0.03 H new ATOM 0 HG3 GLN A 29 6.969 -7.646 7.612 1.00 0.03 H new ATOM 0 HE21 GLN A 29 5.535 -8.732 9.068 1.00 15.04 H new ATOM 0 HE22 GLN A 29 4.541 -10.091 8.532 1.00 15.04 H new ATOM 483 N VAL A 30 2.278 -5.127 5.819 1.00 0.24 N ATOM 484 CA VAL A 30 1.424 -3.950 6.069 1.00 15.31 C ATOM 485 C VAL A 30 1.794 -3.337 7.444 1.00 43.43 C ATOM 486 O VAL A 30 1.654 -3.983 8.494 1.00 33.31 O ATOM 487 CB VAL A 30 -0.119 -4.275 5.977 1.00 30.13 C ATOM 488 CG1 VAL A 30 -0.526 -5.492 6.849 1.00 51.31 C ATOM 489 CG2 VAL A 30 -0.953 -3.009 6.325 1.00 31.45 C ATOM 0 H VAL A 30 1.770 -6.010 5.774 1.00 0.24 H new ATOM 0 HA VAL A 30 1.615 -3.222 5.280 1.00 15.31 H new ATOM 0 HB VAL A 30 -0.336 -4.562 4.948 1.00 30.13 H new ATOM 0 HG11 VAL A 30 -1.597 -5.670 6.748 1.00 51.31 H new ATOM 0 HG12 VAL A 30 0.022 -6.375 6.520 1.00 51.31 H new ATOM 0 HG13 VAL A 30 -0.289 -5.287 7.893 1.00 51.31 H new ATOM 0 HG21 VAL A 30 -2.015 -3.244 6.259 1.00 31.45 H new ATOM 0 HG22 VAL A 30 -0.716 -2.684 7.338 1.00 31.45 H new ATOM 0 HG23 VAL A 30 -0.713 -2.211 5.622 1.00 31.45 H new ATOM 499 N ARG A 31 2.305 -2.098 7.410 1.00 5.21 N ATOM 500 CA ARG A 31 2.873 -1.435 8.599 1.00 1.20 C ATOM 501 C ARG A 31 1.818 -0.519 9.255 1.00 42.31 C ATOM 502 O ARG A 31 1.664 -0.510 10.485 1.00 73.05 O ATOM 503 CB ARG A 31 4.160 -0.642 8.196 1.00 1.20 C ATOM 504 CG ARG A 31 5.177 -0.446 9.346 1.00 71.45 C ATOM 505 CD ARG A 31 5.776 -1.784 9.832 1.00 44.31 C ATOM 506 NE ARG A 31 6.665 -1.620 10.993 1.00 45.02 N ATOM 507 CZ ARG A 31 7.156 -2.627 11.735 1.00 71.24 C ATOM 508 NH1 ARG A 31 6.865 -3.894 11.452 1.00 1.54 N ATOM 509 NH2 ARG A 31 7.951 -2.356 12.762 1.00 30.04 N ATOM 0 H ARG A 31 2.338 -1.528 6.565 1.00 5.21 H new ATOM 0 HA ARG A 31 3.157 -2.186 9.336 1.00 1.20 H new ATOM 0 HB2 ARG A 31 4.653 -1.166 7.377 1.00 1.20 H new ATOM 0 HB3 ARG A 31 3.865 0.337 7.817 1.00 1.20 H new ATOM 0 HG2 ARG A 31 5.981 0.209 9.010 1.00 71.45 H new ATOM 0 HG3 ARG A 31 4.686 0.055 10.181 1.00 71.45 H new ATOM 0 HD2 ARG A 31 4.967 -2.466 10.093 1.00 44.31 H new ATOM 0 HD3 ARG A 31 6.332 -2.246 9.016 1.00 44.31 H new ATOM 0 HE ARG A 31 6.929 -0.670 11.254 1.00 45.02 H new ATOM 0 HH11 ARG A 31 6.260 -4.114 10.661 1.00 1.54 H new ATOM 0 HH12 ARG A 31 7.247 -4.646 12.026 1.00 1.54 H new ATOM 0 HH21 ARG A 31 8.186 -1.388 12.984 1.00 30.04 H new ATOM 0 HH22 ARG A 31 8.327 -3.115 13.330 1.00 30.04 H new ATOM 523 N ARG A 32 1.067 0.217 8.423 1.00 44.21 N ATOM 524 CA ARG A 32 0.013 1.136 8.880 1.00 30.23 C ATOM 525 C ARG A 32 -1.038 1.330 7.774 1.00 30.44 C ATOM 526 O ARG A 32 -0.701 1.337 6.589 1.00 11.01 O ATOM 527 CB ARG A 32 0.651 2.499 9.269 1.00 1.31 C ATOM 528 CG ARG A 32 -0.320 3.560 9.854 1.00 54.32 C ATOM 529 CD ARG A 32 0.397 4.886 10.162 1.00 20.32 C ATOM 530 NE ARG A 32 -0.458 5.897 10.818 1.00 72.11 N ATOM 531 CZ ARG A 32 -0.275 7.224 10.705 1.00 23.41 C ATOM 532 NH1 ARG A 32 0.702 7.718 9.947 1.00 25.32 N ATOM 533 NH2 ARG A 32 -1.050 8.050 11.387 1.00 12.35 N ATOM 0 H ARG A 32 1.174 0.192 7.409 1.00 44.21 H new ATOM 0 HA ARG A 32 -0.484 0.712 9.753 1.00 30.23 H new ATOM 0 HB2 ARG A 32 1.439 2.314 9.999 1.00 1.31 H new ATOM 0 HB3 ARG A 32 1.129 2.920 8.384 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -1.129 3.741 9.147 1.00 54.32 H new ATOM 0 HG3 ARG A 32 -0.774 3.173 10.766 1.00 54.32 H new ATOM 0 HD2 ARG A 32 1.256 4.682 10.802 1.00 20.32 H new ATOM 0 HD3 ARG A 32 0.784 5.302 9.232 1.00 20.32 H new ATOM 0 HE ARG A 32 -1.235 5.568 11.392 1.00 72.11 H new ATOM 0 HH11 ARG A 32 1.324 7.087 9.442 1.00 25.32 H new ATOM 0 HH12 ARG A 32 0.828 8.727 9.871 1.00 25.32 H new ATOM 0 HH21 ARG A 32 -1.781 7.679 11.994 1.00 12.35 H new ATOM 0 HH22 ARG A 32 -0.917 9.058 11.306 1.00 12.35 H new ATOM 547 N VAL A 33 -2.310 1.455 8.180 1.00 30.05 N ATOM 548 CA VAL A 33 -3.439 1.790 7.285 1.00 4.44 C ATOM 549 C VAL A 33 -3.983 3.165 7.702 1.00 42.12 C ATOM 550 O VAL A 33 -4.559 3.290 8.792 1.00 52.25 O ATOM 551 CB VAL A 33 -4.586 0.703 7.375 1.00 71.23 C ATOM 552 CG1 VAL A 33 -5.757 1.019 6.409 1.00 21.00 C ATOM 553 CG2 VAL A 33 -4.019 -0.709 7.114 1.00 5.11 C ATOM 0 H VAL A 33 -2.592 1.325 9.152 1.00 30.05 H new ATOM 0 HA VAL A 33 -3.090 1.810 6.253 1.00 4.44 H new ATOM 0 HB VAL A 33 -4.988 0.732 8.388 1.00 71.23 H new ATOM 0 HG11 VAL A 33 -6.523 0.249 6.502 1.00 21.00 H new ATOM 0 HG12 VAL A 33 -6.185 1.989 6.661 1.00 21.00 H new ATOM 0 HG13 VAL A 33 -5.387 1.041 5.384 1.00 21.00 H new ATOM 0 HG21 VAL A 33 -4.823 -1.442 7.180 1.00 5.11 H new ATOM 0 HG22 VAL A 33 -3.576 -0.745 6.119 1.00 5.11 H new ATOM 0 HG23 VAL A 33 -3.257 -0.938 7.859 1.00 5.11 H new ATOM 563 N GLN A 34 -3.792 4.206 6.865 1.00 14.14 N ATOM 564 CA GLN A 34 -4.177 5.583 7.226 1.00 33.10 C ATOM 565 C GLN A 34 -5.102 6.202 6.163 1.00 2.04 C ATOM 566 O GLN A 34 -4.705 6.379 5.013 1.00 12.13 O ATOM 567 CB GLN A 34 -2.896 6.430 7.437 1.00 35.33 C ATOM 568 CG GLN A 34 -3.135 7.892 7.866 1.00 53.33 C ATOM 569 CD GLN A 34 -4.021 8.032 9.106 1.00 13.44 C ATOM 570 OE1 GLN A 34 -3.547 7.999 10.233 1.00 4.22 O ATOM 571 NE2 GLN A 34 -5.314 8.218 8.895 1.00 61.23 N ATOM 0 H GLN A 34 -3.375 4.118 5.938 1.00 14.14 H new ATOM 0 HA GLN A 34 -4.744 5.566 8.157 1.00 33.10 H new ATOM 0 HB2 GLN A 34 -2.279 5.943 8.192 1.00 35.33 H new ATOM 0 HB3 GLN A 34 -2.324 6.430 6.509 1.00 35.33 H new ATOM 0 HG2 GLN A 34 -2.173 8.366 8.062 1.00 53.33 H new ATOM 0 HG3 GLN A 34 -3.594 8.434 7.039 1.00 53.33 H new ATOM 0 HE21 GLN A 34 -5.677 8.240 7.942 1.00 61.23 H new ATOM 0 HE22 GLN A 34 -5.947 8.339 9.685 1.00 61.23 H new ATOM 580 N LYS A 35 -6.342 6.528 6.570 1.00 44.03 N ATOM 581 CA LYS A 35 -7.351 7.156 5.704 1.00 13.40 C ATOM 582 C LYS A 35 -7.069 8.663 5.548 1.00 2.53 C ATOM 583 O LYS A 35 -6.786 9.347 6.537 1.00 3.41 O ATOM 584 CB LYS A 35 -8.762 6.952 6.324 1.00 22.21 C ATOM 585 CG LYS A 35 -9.941 7.569 5.523 1.00 23.32 C ATOM 586 CD LYS A 35 -10.230 6.818 4.201 1.00 35.31 C ATOM 587 CE LYS A 35 -10.844 5.424 4.431 1.00 2.11 C ATOM 588 NZ LYS A 35 -12.191 5.500 5.035 1.00 32.51 N ATOM 0 H LYS A 35 -6.673 6.360 7.520 1.00 44.03 H new ATOM 0 HA LYS A 35 -7.308 6.690 4.720 1.00 13.40 H new ATOM 0 HB2 LYS A 35 -8.940 5.882 6.433 1.00 22.21 H new ATOM 0 HB3 LYS A 35 -8.764 7.379 7.327 1.00 22.21 H new ATOM 0 HG2 LYS A 35 -10.838 7.562 6.143 1.00 23.32 H new ATOM 0 HG3 LYS A 35 -9.716 8.612 5.301 1.00 23.32 H new ATOM 0 HD2 LYS A 35 -10.909 7.413 3.591 1.00 35.31 H new ATOM 0 HD3 LYS A 35 -9.303 6.714 3.637 1.00 35.31 H new ATOM 0 HE2 LYS A 35 -10.903 4.894 3.481 1.00 2.11 H new ATOM 0 HE3 LYS A 35 -10.189 4.843 5.080 1.00 2.11 H new ATOM 0 HZ1 LYS A 35 -12.640 4.563 5.001 1.00 32.51 H new ATOM 0 HZ2 LYS A 35 -12.111 5.810 6.025 1.00 32.51 H new ATOM 0 HZ3 LYS A 35 -12.771 6.181 4.505 1.00 32.51 H new ATOM 602 N GLN A 36 -7.152 9.157 4.299 1.00 41.25 N ATOM 603 CA GLN A 36 -7.118 10.603 3.966 1.00 2.10 C ATOM 604 C GLN A 36 -8.328 10.922 3.071 1.00 1.13 C ATOM 605 O GLN A 36 -8.228 10.909 1.837 1.00 71.50 O ATOM 606 CB GLN A 36 -5.779 10.994 3.267 1.00 14.45 C ATOM 607 CG GLN A 36 -4.519 10.757 4.133 1.00 22.43 C ATOM 608 CD GLN A 36 -4.494 11.583 5.426 1.00 11.53 C ATOM 609 OE1 GLN A 36 -3.940 11.019 6.483 1.00 44.44 O flip ATOM 610 NE2 GLN A 36 -4.984 12.709 5.481 1.00 73.53 N flip ATOM 0 H GLN A 36 -7.246 8.559 3.478 1.00 41.25 H new ATOM 0 HA GLN A 36 -7.174 11.190 4.882 1.00 2.10 H new ATOM 0 HB2 GLN A 36 -5.684 10.423 2.343 1.00 14.45 H new ATOM 0 HB3 GLN A 36 -5.822 12.047 2.988 1.00 14.45 H new ATOM 0 HG2 GLN A 36 -4.458 9.699 4.387 1.00 22.43 H new ATOM 0 HG3 GLN A 36 -3.634 10.995 3.543 1.00 22.43 H new ATOM 0 HE21 GLN A 36 -5.406 13.123 4.650 1.00 73.53 H new ATOM 0 HE22 GLN A 36 -4.968 13.230 6.358 1.00 73.53 H new ATOM 619 N GLY A 37 -9.489 11.165 3.716 1.00 74.24 N ATOM 620 CA GLY A 37 -10.753 11.385 3.009 1.00 42.31 C ATOM 621 C GLY A 37 -11.306 10.083 2.424 1.00 13.25 C ATOM 622 O GLY A 37 -12.007 9.341 3.110 1.00 71.11 O ATOM 0 H GLY A 37 -9.569 11.212 4.732 1.00 74.24 H new ATOM 0 HA2 GLY A 37 -11.483 11.816 3.694 1.00 42.31 H new ATOM 0 HA3 GLY A 37 -10.601 12.109 2.208 1.00 42.31 H new ATOM 626 N ASN A 38 -10.964 9.819 1.154 1.00 45.22 N ATOM 627 CA ASN A 38 -11.285 8.536 0.463 1.00 13.13 C ATOM 628 C ASN A 38 -9.988 7.825 0.025 1.00 25.24 C ATOM 629 O ASN A 38 -10.014 6.647 -0.345 1.00 65.23 O ATOM 630 CB ASN A 38 -12.209 8.782 -0.766 1.00 43.53 C ATOM 631 CG ASN A 38 -13.654 9.171 -0.406 1.00 22.54 C ATOM 632 OD1 ASN A 38 -13.915 9.827 0.602 1.00 23.44 O ATOM 633 ND2 ASN A 38 -14.599 8.778 -1.243 1.00 11.01 N ATOM 0 H ASN A 38 -10.457 10.481 0.567 1.00 45.22 H new ATOM 0 HA ASN A 38 -11.818 7.895 1.165 1.00 13.13 H new ATOM 0 HB2 ASN A 38 -11.775 9.572 -1.379 1.00 43.53 H new ATOM 0 HB3 ASN A 38 -12.230 7.879 -1.376 1.00 43.53 H new ATOM 0 HD21 ASN A 38 -15.574 9.018 -1.061 1.00 11.01 H new ATOM 0 HD22 ASN A 38 -14.353 8.235 -2.071 1.00 11.01 H new ATOM 640 N THR A 39 -8.860 8.554 0.072 1.00 44.12 N ATOM 641 CA THR A 39 -7.545 8.043 -0.324 1.00 12.40 C ATOM 642 C THR A 39 -6.819 7.453 0.891 1.00 72.04 C ATOM 643 O THR A 39 -6.263 8.193 1.710 1.00 62.24 O ATOM 644 CB THR A 39 -6.683 9.188 -0.955 1.00 71.03 C ATOM 645 OG1 THR A 39 -7.448 9.871 -1.970 1.00 13.24 O ATOM 646 CG2 THR A 39 -5.357 8.657 -1.565 1.00 50.11 C ATOM 0 H THR A 39 -8.840 9.523 0.390 1.00 44.12 H new ATOM 0 HA THR A 39 -7.688 7.259 -1.068 1.00 12.40 H new ATOM 0 HB THR A 39 -6.421 9.880 -0.155 1.00 71.03 H new ATOM 0 HG1 THR A 39 -6.906 10.588 -2.361 1.00 13.24 H new ATOM 0 HG21 THR A 39 -4.794 9.488 -1.990 1.00 50.11 H new ATOM 0 HG22 THR A 39 -4.764 8.178 -0.786 1.00 50.11 H new ATOM 0 HG23 THR A 39 -5.581 7.932 -2.348 1.00 50.11 H new ATOM 654 N ILE A 40 -6.860 6.122 1.033 1.00 51.35 N ATOM 655 CA ILE A 40 -6.123 5.434 2.084 1.00 44.14 C ATOM 656 C ILE A 40 -4.640 5.368 1.693 1.00 2.14 C ATOM 657 O ILE A 40 -4.257 4.636 0.772 1.00 64.54 O ATOM 658 CB ILE A 40 -6.657 3.978 2.345 1.00 74.30 C ATOM 659 CG1 ILE A 40 -8.190 4.001 2.611 1.00 21.42 C ATOM 660 CG2 ILE A 40 -5.894 3.332 3.531 1.00 43.43 C ATOM 661 CD1 ILE A 40 -8.820 2.648 2.916 1.00 74.20 C ATOM 0 H ILE A 40 -7.400 5.504 0.427 1.00 51.35 H new ATOM 0 HA ILE A 40 -6.260 5.999 3.006 1.00 44.14 H new ATOM 0 HB ILE A 40 -6.479 3.373 1.456 1.00 74.30 H new ATOM 0 HG12 ILE A 40 -8.387 4.671 3.448 1.00 21.42 H new ATOM 0 HG13 ILE A 40 -8.687 4.426 1.739 1.00 21.42 H new ATOM 0 HG21 ILE A 40 -6.273 2.324 3.702 1.00 43.43 H new ATOM 0 HG22 ILE A 40 -4.830 3.285 3.297 1.00 43.43 H new ATOM 0 HG23 ILE A 40 -6.042 3.932 4.429 1.00 43.43 H new ATOM 0 HD11 ILE A 40 -9.889 2.774 3.086 1.00 74.20 H new ATOM 0 HD12 ILE A 40 -8.663 1.975 2.073 1.00 74.20 H new ATOM 0 HD13 ILE A 40 -8.359 2.225 3.808 1.00 74.20 H new ATOM 673 N ARG A 41 -3.825 6.164 2.383 1.00 34.40 N ATOM 674 CA ARG A 41 -2.374 6.068 2.310 1.00 14.11 C ATOM 675 C ARG A 41 -1.934 4.966 3.286 1.00 73.22 C ATOM 676 O ARG A 41 -1.853 5.181 4.505 1.00 43.34 O ATOM 677 CB ARG A 41 -1.719 7.430 2.650 1.00 3.41 C ATOM 678 CG ARG A 41 -2.145 8.582 1.714 1.00 21.25 C ATOM 679 CD ARG A 41 -1.440 9.907 2.052 1.00 52.45 C ATOM 680 NE ARG A 41 0.030 9.809 1.953 1.00 71.54 N ATOM 681 CZ ARG A 41 0.910 10.299 2.849 1.00 65.30 C ATOM 682 NH1 ARG A 41 0.506 10.936 3.935 1.00 44.00 N ATOM 683 NH2 ARG A 41 2.201 10.122 2.657 1.00 14.21 N ATOM 0 H ARG A 41 -4.157 6.896 3.011 1.00 34.40 H new ATOM 0 HA ARG A 41 -2.053 5.814 1.300 1.00 14.11 H new ATOM 0 HB2 ARG A 41 -1.971 7.697 3.676 1.00 3.41 H new ATOM 0 HB3 ARG A 41 -0.635 7.322 2.606 1.00 3.41 H new ATOM 0 HG2 ARG A 41 -1.923 8.309 0.682 1.00 21.25 H new ATOM 0 HG3 ARG A 41 -3.224 8.721 1.782 1.00 21.25 H new ATOM 0 HD2 ARG A 41 -1.795 10.686 1.377 1.00 52.45 H new ATOM 0 HD3 ARG A 41 -1.713 10.212 3.062 1.00 52.45 H new ATOM 0 HE ARG A 41 0.412 9.330 1.138 1.00 71.54 H new ATOM 0 HH11 ARG A 41 -0.491 11.065 4.109 1.00 44.00 H new ATOM 0 HH12 ARG A 41 1.191 11.298 4.599 1.00 44.00 H new ATOM 0 HH21 ARG A 41 2.530 9.617 1.834 1.00 14.21 H new ATOM 0 HH22 ARG A 41 2.872 10.490 3.331 1.00 14.21 H new ATOM 697 N VAL A 42 -1.760 3.758 2.743 1.00 33.32 N ATOM 698 CA VAL A 42 -1.219 2.607 3.482 1.00 71.11 C ATOM 699 C VAL A 42 0.314 2.667 3.432 1.00 61.34 C ATOM 700 O VAL A 42 0.912 2.765 2.356 1.00 15.12 O ATOM 701 CB VAL A 42 -1.732 1.202 2.940 1.00 3.25 C ATOM 702 CG1 VAL A 42 -3.092 0.810 3.546 1.00 64.34 C ATOM 703 CG2 VAL A 42 -1.823 1.195 1.404 1.00 42.54 C ATOM 0 H VAL A 42 -1.991 3.547 1.772 1.00 33.32 H new ATOM 0 HA VAL A 42 -1.580 2.679 4.508 1.00 71.11 H new ATOM 0 HB VAL A 42 -0.996 0.461 3.253 1.00 3.25 H new ATOM 0 HG11 VAL A 42 -3.403 -0.156 3.148 1.00 64.34 H new ATOM 0 HG12 VAL A 42 -3.002 0.743 4.630 1.00 64.34 H new ATOM 0 HG13 VAL A 42 -3.836 1.565 3.290 1.00 64.34 H new ATOM 0 HG21 VAL A 42 -2.176 0.221 1.065 1.00 42.54 H new ATOM 0 HG22 VAL A 42 -2.519 1.968 1.077 1.00 42.54 H new ATOM 0 HG23 VAL A 42 -0.838 1.391 0.980 1.00 42.54 H new ATOM 713 N GLU A 43 0.920 2.680 4.613 1.00 63.23 N ATOM 714 CA GLU A 43 2.367 2.531 4.792 1.00 13.34 C ATOM 715 C GLU A 43 2.694 1.045 4.933 1.00 1.32 C ATOM 716 O GLU A 43 2.035 0.340 5.700 1.00 34.21 O ATOM 717 CB GLU A 43 2.833 3.306 6.041 1.00 22.01 C ATOM 718 CG GLU A 43 2.678 4.830 5.922 1.00 14.14 C ATOM 719 CD GLU A 43 3.226 5.598 7.136 1.00 30.41 C ATOM 720 OE1 GLU A 43 2.429 6.111 7.951 1.00 44.44 O ATOM 721 OE2 GLU A 43 4.464 5.684 7.277 1.00 4.41 O ATOM 0 H GLU A 43 0.415 2.796 5.491 1.00 63.23 H new ATOM 0 HA GLU A 43 2.889 2.939 3.927 1.00 13.34 H new ATOM 0 HB2 GLU A 43 2.265 2.959 6.904 1.00 22.01 H new ATOM 0 HB3 GLU A 43 3.880 3.071 6.233 1.00 22.01 H new ATOM 0 HG2 GLU A 43 3.193 5.171 5.024 1.00 14.14 H new ATOM 0 HG3 GLU A 43 1.623 5.071 5.795 1.00 14.14 H new ATOM 728 N LEU A 44 3.680 0.559 4.168 1.00 3.43 N ATOM 729 CA LEU A 44 4.110 -0.850 4.217 1.00 45.33 C ATOM 730 C LEU A 44 5.630 -0.931 4.365 1.00 72.13 C ATOM 731 O LEU A 44 6.341 0.069 4.224 1.00 12.14 O ATOM 732 CB LEU A 44 3.624 -1.666 2.980 1.00 2.32 C ATOM 733 CG LEU A 44 2.075 -1.627 2.690 1.00 63.14 C ATOM 734 CD1 LEU A 44 1.695 -0.421 1.809 1.00 72.24 C ATOM 735 CD2 LEU A 44 1.567 -2.942 2.069 1.00 32.40 C ATOM 0 H LEU A 44 4.202 1.126 3.500 1.00 3.43 H new ATOM 0 HA LEU A 44 3.642 -1.305 5.090 1.00 45.33 H new ATOM 0 HB2 LEU A 44 4.148 -1.297 2.098 1.00 2.32 H new ATOM 0 HB3 LEU A 44 3.922 -2.706 3.116 1.00 2.32 H new ATOM 0 HG LEU A 44 1.580 -1.510 3.654 1.00 63.14 H new ATOM 0 HD11 LEU A 44 0.620 -0.426 1.629 1.00 72.24 H new ATOM 0 HD12 LEU A 44 1.974 0.502 2.316 1.00 72.24 H new ATOM 0 HD13 LEU A 44 2.222 -0.485 0.857 1.00 72.24 H new ATOM 0 HD21 LEU A 44 0.495 -2.868 1.887 1.00 32.40 H new ATOM 0 HD22 LEU A 44 2.084 -3.123 1.126 1.00 32.40 H new ATOM 0 HD23 LEU A 44 1.763 -3.767 2.754 1.00 32.40 H new ATOM 747 N GLU A 45 6.096 -2.139 4.654 1.00 61.33 N ATOM 748 CA GLU A 45 7.484 -2.458 4.963 1.00 41.25 C ATOM 749 C GLU A 45 8.005 -3.433 3.906 1.00 71.43 C ATOM 750 O GLU A 45 7.474 -4.537 3.755 1.00 13.42 O ATOM 751 CB GLU A 45 7.544 -3.091 6.375 1.00 52.22 C ATOM 752 CG GLU A 45 8.946 -3.541 6.820 1.00 34.50 C ATOM 753 CD GLU A 45 8.930 -4.351 8.127 1.00 42.23 C ATOM 754 OE1 GLU A 45 8.897 -5.598 8.065 1.00 32.52 O ATOM 755 OE2 GLU A 45 8.972 -3.747 9.220 1.00 72.31 O ATOM 0 H GLU A 45 5.490 -2.959 4.681 1.00 61.33 H new ATOM 0 HA GLU A 45 8.105 -1.562 4.954 1.00 41.25 H new ATOM 0 HB2 GLU A 45 7.163 -2.370 7.098 1.00 52.22 H new ATOM 0 HB3 GLU A 45 6.876 -3.952 6.401 1.00 52.22 H new ATOM 0 HG2 GLU A 45 9.396 -4.144 6.031 1.00 34.50 H new ATOM 0 HG3 GLU A 45 9.579 -2.663 6.951 1.00 34.50 H new ATOM 762 N LEU A 46 9.034 -3.032 3.178 1.00 61.21 N ATOM 763 CA LEU A 46 9.608 -3.813 2.086 1.00 21.11 C ATOM 764 C LEU A 46 11.124 -3.796 2.271 1.00 51.15 C ATOM 765 O LEU A 46 11.720 -2.727 2.439 1.00 53.44 O ATOM 766 CB LEU A 46 9.141 -3.192 0.738 1.00 54.10 C ATOM 767 CG LEU A 46 9.500 -3.921 -0.609 1.00 2.42 C ATOM 768 CD1 LEU A 46 8.573 -3.456 -1.754 1.00 75.14 C ATOM 769 CD2 LEU A 46 10.968 -3.698 -1.033 1.00 3.23 C ATOM 0 H LEU A 46 9.505 -2.140 3.329 1.00 61.21 H new ATOM 0 HA LEU A 46 9.279 -4.852 2.083 1.00 21.11 H new ATOM 0 HB2 LEU A 46 8.056 -3.096 0.780 1.00 54.10 H new ATOM 0 HB3 LEU A 46 9.549 -2.183 0.683 1.00 54.10 H new ATOM 0 HG LEU A 46 9.357 -4.985 -0.422 1.00 2.42 H new ATOM 0 HD11 LEU A 46 8.842 -3.975 -2.674 1.00 75.14 H new ATOM 0 HD12 LEU A 46 7.538 -3.683 -1.499 1.00 75.14 H new ATOM 0 HD13 LEU A 46 8.684 -2.381 -1.898 1.00 75.14 H new ATOM 0 HD21 LEU A 46 11.160 -4.223 -1.968 1.00 3.23 H new ATOM 0 HD22 LEU A 46 11.149 -2.632 -1.172 1.00 3.23 H new ATOM 0 HD23 LEU A 46 11.633 -4.081 -0.259 1.00 3.23 H new ATOM 781 N ARG A 47 11.735 -4.982 2.228 1.00 71.44 N ATOM 782 CA ARG A 47 13.170 -5.154 2.475 1.00 1.32 C ATOM 783 C ARG A 47 13.920 -5.285 1.136 1.00 22.35 C ATOM 784 O ARG A 47 13.865 -6.333 0.486 1.00 73.23 O ATOM 785 CB ARG A 47 13.406 -6.397 3.382 1.00 72.32 C ATOM 786 CG ARG A 47 13.000 -6.198 4.868 1.00 54.44 C ATOM 787 CD ARG A 47 12.874 -7.532 5.645 1.00 61.35 C ATOM 788 NE ARG A 47 14.029 -8.433 5.441 1.00 24.31 N ATOM 789 CZ ARG A 47 13.993 -9.780 5.524 1.00 35.45 C ATOM 790 NH1 ARG A 47 12.865 -10.421 5.813 1.00 72.44 N ATOM 791 NH2 ARG A 47 15.091 -10.481 5.285 1.00 3.23 N ATOM 0 H ARG A 47 11.248 -5.854 2.020 1.00 71.44 H new ATOM 0 HA ARG A 47 13.559 -4.278 2.995 1.00 1.32 H new ATOM 0 HB2 ARG A 47 12.846 -7.239 2.975 1.00 72.32 H new ATOM 0 HB3 ARG A 47 14.461 -6.666 3.340 1.00 72.32 H new ATOM 0 HG2 ARG A 47 13.740 -5.566 5.359 1.00 54.44 H new ATOM 0 HG3 ARG A 47 12.049 -5.668 4.911 1.00 54.44 H new ATOM 0 HD2 ARG A 47 12.771 -7.318 6.709 1.00 61.35 H new ATOM 0 HD3 ARG A 47 11.963 -8.043 5.333 1.00 61.35 H new ATOM 0 HE ARG A 47 14.926 -8.001 5.219 1.00 24.31 H new ATOM 0 HH11 ARG A 47 12.007 -9.895 5.976 1.00 72.44 H new ATOM 0 HH12 ARG A 47 12.858 -11.439 5.871 1.00 72.44 H new ATOM 0 HH21 ARG A 47 15.958 -10.003 5.040 1.00 3.23 H new ATOM 0 HH22 ARG A 47 15.070 -11.499 5.346 1.00 3.23 H new ATOM 805 N THR A 48 14.585 -4.190 0.721 1.00 31.21 N ATOM 806 CA THR A 48 15.361 -4.137 -0.531 1.00 20.14 C ATOM 807 C THR A 48 16.854 -4.294 -0.190 1.00 25.25 C ATOM 808 O THR A 48 17.370 -3.527 0.625 1.00 61.34 O ATOM 809 CB THR A 48 15.139 -2.766 -1.275 1.00 60.23 C ATOM 810 OG1 THR A 48 13.772 -2.338 -1.142 1.00 64.23 O ATOM 811 CG2 THR A 48 15.507 -2.857 -2.771 1.00 52.41 C ATOM 0 H THR A 48 14.599 -3.316 1.246 1.00 31.21 H new ATOM 0 HA THR A 48 15.029 -4.941 -1.188 1.00 20.14 H new ATOM 0 HB THR A 48 15.799 -2.036 -0.807 1.00 60.23 H new ATOM 0 HG1 THR A 48 13.678 -1.791 -0.334 1.00 64.23 H new ATOM 0 HG21 THR A 48 15.339 -1.891 -3.246 1.00 52.41 H new ATOM 0 HG22 THR A 48 16.557 -3.133 -2.871 1.00 52.41 H new ATOM 0 HG23 THR A 48 14.885 -3.611 -3.253 1.00 52.41 H new ATOM 819 N ASN A 49 17.523 -5.315 -0.776 1.00 43.10 N ATOM 820 CA ASN A 49 18.992 -5.540 -0.639 1.00 43.10 C ATOM 821 C ASN A 49 19.404 -5.773 0.840 1.00 53.42 C ATOM 822 O ASN A 49 20.557 -5.539 1.219 1.00 72.23 O ATOM 823 CB ASN A 49 19.811 -4.365 -1.269 1.00 25.15 C ATOM 824 CG ASN A 49 19.607 -4.200 -2.787 1.00 50.11 C ATOM 825 OD1 ASN A 49 18.528 -4.447 -3.322 1.00 73.44 O ATOM 826 ND2 ASN A 49 20.643 -3.781 -3.491 1.00 40.04 N ATOM 0 H ASN A 49 17.062 -6.012 -1.361 1.00 43.10 H new ATOM 0 HA ASN A 49 19.228 -6.449 -1.193 1.00 43.10 H new ATOM 0 HB2 ASN A 49 19.533 -3.435 -0.773 1.00 25.15 H new ATOM 0 HB3 ASN A 49 20.870 -4.528 -1.071 1.00 25.15 H new ATOM 0 HD21 ASN A 49 20.557 -3.656 -4.500 1.00 40.04 H new ATOM 0 HD22 ASN A 49 21.529 -3.582 -3.026 1.00 40.04 H new ATOM 833 N GLY A 50 18.438 -6.251 1.653 1.00 32.43 N ATOM 834 CA GLY A 50 18.642 -6.526 3.081 1.00 12.21 C ATOM 835 C GLY A 50 18.195 -5.381 3.978 1.00 44.02 C ATOM 836 O GLY A 50 17.915 -5.592 5.164 1.00 10.12 O ATOM 0 H GLY A 50 17.492 -6.456 1.330 1.00 32.43 H new ATOM 0 HA2 GLY A 50 18.094 -7.428 3.353 1.00 12.21 H new ATOM 0 HA3 GLY A 50 19.698 -6.728 3.259 1.00 12.21 H new ATOM 840 N LYS A 51 18.114 -4.176 3.401 1.00 43.44 N ATOM 841 CA LYS A 51 17.720 -2.946 4.111 1.00 24.42 C ATOM 842 C LYS A 51 16.188 -2.828 4.151 1.00 23.13 C ATOM 843 O LYS A 51 15.512 -3.389 3.302 1.00 2.10 O ATOM 844 CB LYS A 51 18.322 -1.724 3.389 1.00 65.25 C ATOM 845 CG LYS A 51 19.858 -1.737 3.252 1.00 44.15 C ATOM 846 CD LYS A 51 20.586 -1.569 4.605 1.00 24.53 C ATOM 847 CE LYS A 51 22.115 -1.527 4.440 1.00 32.01 C ATOM 848 NZ LYS A 51 22.810 -1.306 5.735 1.00 64.43 N ATOM 0 H LYS A 51 18.322 -4.022 2.414 1.00 43.44 H new ATOM 0 HA LYS A 51 18.095 -2.985 5.134 1.00 24.42 H new ATOM 0 HB2 LYS A 51 17.884 -1.658 2.393 1.00 65.25 H new ATOM 0 HB3 LYS A 51 18.028 -0.823 3.927 1.00 65.25 H new ATOM 0 HG2 LYS A 51 20.168 -2.675 2.793 1.00 44.15 H new ATOM 0 HG3 LYS A 51 20.164 -0.936 2.579 1.00 44.15 H new ATOM 0 HD2 LYS A 51 20.249 -0.651 5.086 1.00 24.53 H new ATOM 0 HD3 LYS A 51 20.316 -2.393 5.266 1.00 24.53 H new ATOM 0 HE2 LYS A 51 22.458 -2.463 4.000 1.00 32.01 H new ATOM 0 HE3 LYS A 51 22.383 -0.731 3.745 1.00 32.01 H new ATOM 0 HZ1 LYS A 51 23.838 -1.285 5.578 1.00 64.43 H new ATOM 0 HZ2 LYS A 51 22.503 -0.400 6.144 1.00 64.43 H new ATOM 0 HZ3 LYS A 51 22.576 -2.078 6.391 1.00 64.43 H new ATOM 862 N LYS A 52 15.657 -2.067 5.119 1.00 24.54 N ATOM 863 CA LYS A 52 14.206 -1.966 5.365 1.00 60.53 C ATOM 864 C LYS A 52 13.678 -0.558 5.016 1.00 61.50 C ATOM 865 O LYS A 52 13.909 0.404 5.757 1.00 30.04 O ATOM 866 CB LYS A 52 13.926 -2.316 6.847 1.00 32.22 C ATOM 867 CG LYS A 52 12.453 -2.131 7.280 1.00 43.40 C ATOM 868 CD LYS A 52 12.186 -2.613 8.717 1.00 34.11 C ATOM 869 CE LYS A 52 12.414 -4.124 8.872 1.00 40.04 C ATOM 870 NZ LYS A 52 11.901 -4.623 10.170 1.00 55.25 N ATOM 0 H LYS A 52 16.220 -1.503 5.756 1.00 24.54 H new ATOM 0 HA LYS A 52 13.680 -2.671 4.721 1.00 60.53 H new ATOM 0 HB2 LYS A 52 14.217 -3.351 7.024 1.00 32.22 H new ATOM 0 HB3 LYS A 52 14.559 -1.694 7.480 1.00 32.22 H new ATOM 0 HG2 LYS A 52 12.186 -1.077 7.200 1.00 43.40 H new ATOM 0 HG3 LYS A 52 11.806 -2.677 6.593 1.00 43.40 H new ATOM 0 HD2 LYS A 52 12.838 -2.076 9.406 1.00 34.11 H new ATOM 0 HD3 LYS A 52 11.160 -2.371 8.995 1.00 34.11 H new ATOM 0 HE2 LYS A 52 11.919 -4.653 8.057 1.00 40.04 H new ATOM 0 HE3 LYS A 52 13.479 -4.342 8.793 1.00 40.04 H new ATOM 0 HZ1 LYS A 52 12.117 -5.636 10.262 1.00 55.25 H new ATOM 0 HZ2 LYS A 52 12.354 -4.100 10.946 1.00 55.25 H new ATOM 0 HZ3 LYS A 52 10.871 -4.483 10.213 1.00 55.25 H new ATOM 884 N GLU A 53 12.963 -0.460 3.886 1.00 54.41 N ATOM 885 CA GLU A 53 12.370 0.798 3.389 1.00 25.02 C ATOM 886 C GLU A 53 10.848 0.802 3.627 1.00 34.34 C ATOM 887 O GLU A 53 10.192 -0.237 3.507 1.00 21.31 O ATOM 888 CB GLU A 53 12.663 0.985 1.869 1.00 45.32 C ATOM 889 CG GLU A 53 14.122 1.316 1.500 1.00 21.35 C ATOM 890 CD GLU A 53 15.146 0.229 1.866 1.00 62.32 C ATOM 891 OE1 GLU A 53 16.151 0.549 2.545 1.00 2.50 O ATOM 892 OE2 GLU A 53 14.959 -0.939 1.463 1.00 5.41 O ATOM 0 H GLU A 53 12.776 -1.260 3.281 1.00 54.41 H new ATOM 0 HA GLU A 53 12.822 1.625 3.937 1.00 25.02 H new ATOM 0 HB2 GLU A 53 12.375 0.072 1.348 1.00 45.32 H new ATOM 0 HB3 GLU A 53 12.023 1.782 1.491 1.00 45.32 H new ATOM 0 HG2 GLU A 53 14.177 1.500 0.427 1.00 21.35 H new ATOM 0 HG3 GLU A 53 14.406 2.244 1.997 1.00 21.35 H new ATOM 899 N ASN A 54 10.299 1.982 3.961 1.00 2.25 N ATOM 900 CA ASN A 54 8.842 2.200 4.084 1.00 71.44 C ATOM 901 C ASN A 54 8.303 2.737 2.748 1.00 20.14 C ATOM 902 O ASN A 54 8.895 3.652 2.176 1.00 10.55 O ATOM 903 CB ASN A 54 8.536 3.209 5.223 1.00 65.22 C ATOM 904 CG ASN A 54 8.956 2.692 6.605 1.00 62.14 C ATOM 905 OD1 ASN A 54 10.104 2.851 7.019 1.00 74.42 O ATOM 906 ND2 ASN A 54 8.030 2.079 7.330 1.00 13.30 N ATOM 0 H ASN A 54 10.853 2.816 4.155 1.00 2.25 H new ATOM 0 HA ASN A 54 8.356 1.255 4.326 1.00 71.44 H new ATOM 0 HB2 ASN A 54 9.052 4.147 5.019 1.00 65.22 H new ATOM 0 HB3 ASN A 54 7.468 3.428 5.231 1.00 65.22 H new ATOM 0 HD21 ASN A 54 8.261 1.724 8.258 1.00 13.30 H new ATOM 0 HD22 ASN A 54 7.087 1.962 6.960 1.00 13.30 H new ATOM 913 N TYR A 55 7.207 2.150 2.236 1.00 73.35 N ATOM 914 CA TYR A 55 6.560 2.583 0.977 1.00 74.41 C ATOM 915 C TYR A 55 5.114 2.995 1.255 1.00 70.44 C ATOM 916 O TYR A 55 4.320 2.192 1.755 1.00 12.04 O ATOM 917 CB TYR A 55 6.568 1.452 -0.079 1.00 11.34 C ATOM 918 CG TYR A 55 7.956 1.033 -0.580 1.00 61.35 C ATOM 919 CD1 TYR A 55 8.379 1.311 -1.884 1.00 31.03 C ATOM 920 CD2 TYR A 55 8.840 0.349 0.248 1.00 71.24 C ATOM 921 CE1 TYR A 55 9.627 0.915 -2.332 1.00 4.00 C ATOM 922 CE2 TYR A 55 10.079 -0.044 -0.197 1.00 21.02 C ATOM 923 CZ TYR A 55 10.475 0.235 -1.481 1.00 62.45 C ATOM 924 OH TYR A 55 11.724 -0.169 -1.910 1.00 63.12 O ATOM 0 H TYR A 55 6.741 1.360 2.682 1.00 73.35 H new ATOM 0 HA TYR A 55 7.125 3.429 0.585 1.00 74.41 H new ATOM 0 HB2 TYR A 55 6.074 0.578 0.345 1.00 11.34 H new ATOM 0 HB3 TYR A 55 5.972 1.771 -0.934 1.00 11.34 H new ATOM 0 HD1 TYR A 55 7.720 1.844 -2.553 1.00 31.03 H new ATOM 0 HD2 TYR A 55 8.546 0.122 1.262 1.00 71.24 H new ATOM 0 HE1 TYR A 55 9.936 1.137 -3.343 1.00 4.00 H new ATOM 0 HE2 TYR A 55 10.745 -0.575 0.467 1.00 21.02 H new ATOM 0 HH TYR A 55 12.135 -0.741 -1.228 1.00 63.12 H new ATOM 934 N THR A 56 4.798 4.245 0.926 1.00 4.02 N ATOM 935 CA THR A 56 3.449 4.779 0.987 1.00 21.13 C ATOM 936 C THR A 56 2.724 4.496 -0.344 1.00 23.04 C ATOM 937 O THR A 56 3.003 5.140 -1.361 1.00 33.51 O ATOM 938 CB THR A 56 3.493 6.318 1.243 1.00 11.33 C ATOM 939 OG1 THR A 56 4.334 6.592 2.377 1.00 10.24 O ATOM 940 CG2 THR A 56 2.086 6.905 1.481 1.00 0.14 C ATOM 0 H THR A 56 5.488 4.924 0.604 1.00 4.02 H new ATOM 0 HA THR A 56 2.912 4.299 1.805 1.00 21.13 H new ATOM 0 HB THR A 56 3.900 6.794 0.351 1.00 11.33 H new ATOM 0 HG1 THR A 56 4.363 7.558 2.537 1.00 10.24 H new ATOM 0 HG21 THR A 56 2.164 7.978 1.655 1.00 0.14 H new ATOM 0 HG22 THR A 56 1.463 6.724 0.605 1.00 0.14 H new ATOM 0 HG23 THR A 56 1.635 6.428 2.352 1.00 0.14 H new ATOM 948 N VAL A 57 1.829 3.505 -0.330 1.00 54.45 N ATOM 949 CA VAL A 57 0.947 3.219 -1.469 1.00 5.12 C ATOM 950 C VAL A 57 -0.372 3.969 -1.233 1.00 14.23 C ATOM 951 O VAL A 57 -1.164 3.599 -0.368 1.00 25.43 O ATOM 952 CB VAL A 57 0.693 1.671 -1.633 1.00 31.11 C ATOM 953 CG1 VAL A 57 -0.185 1.364 -2.873 1.00 42.42 C ATOM 954 CG2 VAL A 57 2.029 0.901 -1.697 1.00 51.01 C ATOM 0 H VAL A 57 1.694 2.881 0.465 1.00 54.45 H new ATOM 0 HA VAL A 57 1.417 3.553 -2.394 1.00 5.12 H new ATOM 0 HB VAL A 57 0.144 1.332 -0.754 1.00 31.11 H new ATOM 0 HG11 VAL A 57 -0.338 0.288 -2.953 1.00 42.42 H new ATOM 0 HG12 VAL A 57 -1.149 1.861 -2.768 1.00 42.42 H new ATOM 0 HG13 VAL A 57 0.314 1.727 -3.771 1.00 42.42 H new ATOM 0 HG21 VAL A 57 1.830 -0.165 -1.810 1.00 51.01 H new ATOM 0 HG22 VAL A 57 2.612 1.254 -2.548 1.00 51.01 H new ATOM 0 HG23 VAL A 57 2.590 1.070 -0.778 1.00 51.01 H new ATOM 964 N GLU A 58 -0.568 5.061 -1.971 1.00 2.01 N ATOM 965 CA GLU A 58 -1.752 5.917 -1.825 1.00 51.53 C ATOM 966 C GLU A 58 -2.854 5.379 -2.743 1.00 64.03 C ATOM 967 O GLU A 58 -2.807 5.586 -3.956 1.00 1.24 O ATOM 968 CB GLU A 58 -1.367 7.376 -2.178 1.00 13.20 C ATOM 969 CG GLU A 58 -0.109 7.868 -1.421 1.00 1.05 C ATOM 970 CD GLU A 58 0.371 9.258 -1.843 1.00 31.13 C ATOM 971 OE1 GLU A 58 0.577 9.472 -3.054 1.00 11.23 O ATOM 972 OE2 GLU A 58 0.579 10.130 -0.970 1.00 12.14 O ATOM 0 H GLU A 58 0.086 5.379 -2.686 1.00 2.01 H new ATOM 0 HA GLU A 58 -2.123 5.909 -0.800 1.00 51.53 H new ATOM 0 HB2 GLU A 58 -1.191 7.450 -3.251 1.00 13.20 H new ATOM 0 HB3 GLU A 58 -2.205 8.034 -1.946 1.00 13.20 H new ATOM 0 HG2 GLU A 58 -0.322 7.878 -0.352 1.00 1.05 H new ATOM 0 HG3 GLU A 58 0.699 7.153 -1.578 1.00 1.05 H new ATOM 979 N VAL A 59 -3.800 4.634 -2.157 1.00 45.12 N ATOM 980 CA VAL A 59 -4.917 4.011 -2.883 1.00 52.43 C ATOM 981 C VAL A 59 -6.198 4.820 -2.618 1.00 11.42 C ATOM 982 O VAL A 59 -6.632 4.931 -1.473 1.00 63.52 O ATOM 983 CB VAL A 59 -5.125 2.513 -2.440 1.00 25.43 C ATOM 984 CG1 VAL A 59 -6.191 1.824 -3.313 1.00 13.44 C ATOM 985 CG2 VAL A 59 -3.794 1.721 -2.466 1.00 61.40 C ATOM 0 H VAL A 59 -3.813 4.444 -1.155 1.00 45.12 H new ATOM 0 HA VAL A 59 -4.686 4.012 -3.948 1.00 52.43 H new ATOM 0 HB VAL A 59 -5.482 2.523 -1.410 1.00 25.43 H new ATOM 0 HG11 VAL A 59 -6.316 0.791 -2.987 1.00 13.44 H new ATOM 0 HG12 VAL A 59 -7.139 2.353 -3.215 1.00 13.44 H new ATOM 0 HG13 VAL A 59 -5.873 1.840 -4.356 1.00 13.44 H new ATOM 0 HG21 VAL A 59 -3.976 0.692 -2.155 1.00 61.40 H new ATOM 0 HG22 VAL A 59 -3.387 1.727 -3.477 1.00 61.40 H new ATOM 0 HG23 VAL A 59 -3.081 2.185 -1.785 1.00 61.40 H new ATOM 995 N GLU A 60 -6.790 5.371 -3.678 1.00 54.03 N ATOM 996 CA GLU A 60 -7.990 6.221 -3.604 1.00 64.30 C ATOM 997 C GLU A 60 -9.229 5.415 -3.988 1.00 13.23 C ATOM 998 O GLU A 60 -9.152 4.511 -4.823 1.00 11.35 O ATOM 999 CB GLU A 60 -7.820 7.415 -4.571 1.00 43.44 C ATOM 1000 CG GLU A 60 -9.007 8.408 -4.621 1.00 33.22 C ATOM 1001 CD GLU A 60 -8.931 9.368 -5.816 1.00 31.12 C ATOM 1002 OE1 GLU A 60 -8.734 10.591 -5.626 1.00 54.31 O ATOM 1003 OE2 GLU A 60 -9.038 8.891 -6.967 1.00 1.33 O ATOM 0 H GLU A 60 -6.448 5.240 -4.630 1.00 54.03 H new ATOM 0 HA GLU A 60 -8.115 6.587 -2.585 1.00 64.30 H new ATOM 0 HB2 GLU A 60 -6.922 7.964 -4.288 1.00 43.44 H new ATOM 0 HB3 GLU A 60 -7.653 7.026 -5.575 1.00 43.44 H new ATOM 0 HG2 GLU A 60 -9.941 7.848 -4.670 1.00 33.22 H new ATOM 0 HG3 GLU A 60 -9.030 8.986 -3.697 1.00 33.22 H new ATOM 1010 N ARG A 61 -10.366 5.740 -3.354 1.00 71.11 N ATOM 1011 CA ARG A 61 -11.664 5.163 -3.705 1.00 55.23 C ATOM 1012 C ARG A 61 -12.177 5.775 -5.026 1.00 3.52 C ATOM 1013 O ARG A 61 -11.987 6.968 -5.286 1.00 13.31 O ATOM 1014 CB ARG A 61 -12.692 5.391 -2.553 1.00 21.14 C ATOM 1015 CG ARG A 61 -14.084 4.790 -2.827 1.00 12.34 C ATOM 1016 CD ARG A 61 -14.060 3.252 -3.000 1.00 41.20 C ATOM 1017 NE ARG A 61 -14.377 2.538 -1.757 1.00 0.11 N ATOM 1018 CZ ARG A 61 -14.792 1.271 -1.699 1.00 32.00 C ATOM 1019 NH1 ARG A 61 -14.933 0.547 -2.802 1.00 54.12 N ATOM 1020 NH2 ARG A 61 -15.049 0.722 -0.534 1.00 1.24 N ATOM 0 H ARG A 61 -10.407 6.409 -2.585 1.00 71.11 H new ATOM 0 HA ARG A 61 -11.545 4.089 -3.845 1.00 55.23 H new ATOM 0 HB2 ARG A 61 -12.295 4.958 -1.635 1.00 21.14 H new ATOM 0 HB3 ARG A 61 -12.798 6.462 -2.381 1.00 21.14 H new ATOM 0 HG2 ARG A 61 -14.752 5.046 -2.005 1.00 12.34 H new ATOM 0 HG3 ARG A 61 -14.498 5.244 -3.727 1.00 12.34 H new ATOM 0 HD2 ARG A 61 -14.775 2.966 -3.771 1.00 41.20 H new ATOM 0 HD3 ARG A 61 -13.074 2.945 -3.350 1.00 41.20 H new ATOM 0 HE ARG A 61 -14.273 3.045 -0.878 1.00 0.11 H new ATOM 0 HH11 ARG A 61 -14.723 0.958 -3.712 1.00 54.12 H new ATOM 0 HH12 ARG A 61 -15.251 -0.420 -2.740 1.00 54.12 H new ATOM 0 HH21 ARG A 61 -14.931 1.264 0.322 1.00 1.24 H new ATOM 0 HH22 ARG A 61 -15.366 -0.246 -0.485 1.00 1.24 H new ATOM 1034 N GLN A 62 -12.811 4.939 -5.848 1.00 54.32 N ATOM 1035 CA GLN A 62 -13.457 5.355 -7.093 1.00 23.13 C ATOM 1036 C GLN A 62 -14.748 4.534 -7.260 1.00 34.25 C ATOM 1037 O GLN A 62 -14.759 3.482 -7.905 1.00 31.41 O ATOM 1038 CB GLN A 62 -12.476 5.175 -8.285 1.00 71.03 C ATOM 1039 CG GLN A 62 -13.006 5.706 -9.632 1.00 12.13 C ATOM 1040 CD GLN A 62 -11.997 5.591 -10.778 1.00 63.20 C ATOM 1041 OE1 GLN A 62 -11.155 4.692 -10.800 1.00 61.40 O ATOM 1042 NE2 GLN A 62 -12.090 6.485 -11.748 1.00 71.21 N ATOM 0 H GLN A 62 -12.892 3.939 -5.665 1.00 54.32 H new ATOM 0 HA GLN A 62 -13.722 6.412 -7.065 1.00 23.13 H new ATOM 0 HB2 GLN A 62 -11.541 5.684 -8.050 1.00 71.03 H new ATOM 0 HB3 GLN A 62 -12.244 4.115 -8.392 1.00 71.03 H new ATOM 0 HG2 GLN A 62 -13.910 5.158 -9.899 1.00 12.13 H new ATOM 0 HG3 GLN A 62 -13.291 6.751 -9.514 1.00 12.13 H new ATOM 0 HE21 GLN A 62 -12.798 7.217 -11.700 1.00 71.21 H new ATOM 0 HE22 GLN A 62 -11.453 6.442 -12.544 1.00 71.21 H new ATOM 1051 N GLY A 63 -15.820 5.006 -6.598 1.00 51.43 N ATOM 1052 CA GLY A 63 -17.100 4.308 -6.581 1.00 1.44 C ATOM 1053 C GLY A 63 -17.033 3.005 -5.780 1.00 22.35 C ATOM 1054 O GLY A 63 -16.986 3.036 -4.549 1.00 62.44 O ATOM 0 H GLY A 63 -15.815 5.876 -6.066 1.00 51.43 H new ATOM 0 HA2 GLY A 63 -17.862 4.959 -6.152 1.00 1.44 H new ATOM 0 HA3 GLY A 63 -17.407 4.089 -7.604 1.00 1.44 H new ATOM 1058 N ASN A 64 -16.986 1.865 -6.493 1.00 31.05 N ATOM 1059 CA ASN A 64 -16.907 0.521 -5.869 1.00 3.41 C ATOM 1060 C ASN A 64 -15.471 -0.033 -5.926 1.00 0.44 C ATOM 1061 O ASN A 64 -15.131 -0.948 -5.165 1.00 62.14 O ATOM 1062 CB ASN A 64 -17.869 -0.478 -6.573 1.00 22.11 C ATOM 1063 CG ASN A 64 -19.344 -0.079 -6.513 1.00 34.21 C ATOM 1064 OD1 ASN A 64 -19.786 0.607 -5.597 1.00 53.03 O ATOM 1065 ND2 ASN A 64 -20.118 -0.534 -7.489 1.00 41.42 N ATOM 0 H ASN A 64 -17.001 1.843 -7.513 1.00 31.05 H new ATOM 0 HA ASN A 64 -17.205 0.631 -4.826 1.00 3.41 H new ATOM 0 HB2 ASN A 64 -17.573 -0.575 -7.618 1.00 22.11 H new ATOM 0 HB3 ASN A 64 -17.752 -1.461 -6.116 1.00 22.11 H new ATOM 0 HD21 ASN A 64 -21.114 -0.316 -7.493 1.00 41.42 H new ATOM 0 HD22 ASN A 64 -19.717 -1.102 -8.235 1.00 41.42 H new ATOM 1072 N THR A 65 -14.633 0.520 -6.822 1.00 42.42 N ATOM 1073 CA THR A 65 -13.255 0.034 -7.037 1.00 24.15 C ATOM 1074 C THR A 65 -12.227 0.922 -6.307 1.00 74.10 C ATOM 1075 O THR A 65 -12.576 1.967 -5.738 1.00 45.41 O ATOM 1076 CB THR A 65 -12.919 -0.058 -8.568 1.00 44.04 C ATOM 1077 OG1 THR A 65 -11.665 -0.730 -8.751 1.00 50.25 O ATOM 1078 CG2 THR A 65 -12.857 1.314 -9.266 1.00 61.32 C ATOM 0 H THR A 65 -14.888 1.311 -7.414 1.00 42.42 H new ATOM 0 HA THR A 65 -13.193 -0.969 -6.615 1.00 24.15 H new ATOM 0 HB THR A 65 -13.734 -0.617 -9.027 1.00 44.04 H new ATOM 0 HG1 THR A 65 -11.461 -0.786 -9.708 1.00 50.25 H new ATOM 0 HG21 THR A 65 -12.621 1.175 -10.321 1.00 61.32 H new ATOM 0 HG22 THR A 65 -13.821 1.813 -9.173 1.00 61.32 H new ATOM 0 HG23 THR A 65 -12.085 1.925 -8.799 1.00 61.32 H new ATOM 1086 N TRP A 66 -10.958 0.480 -6.317 1.00 52.43 N ATOM 1087 CA TRP A 66 -9.828 1.180 -5.700 1.00 2.45 C ATOM 1088 C TRP A 66 -8.751 1.440 -6.766 1.00 14.41 C ATOM 1089 O TRP A 66 -8.252 0.493 -7.388 1.00 23.33 O ATOM 1090 CB TRP A 66 -9.248 0.331 -4.540 1.00 70.50 C ATOM 1091 CG TRP A 66 -10.163 0.224 -3.341 1.00 0.44 C ATOM 1092 CD1 TRP A 66 -11.011 -0.807 -3.017 1.00 31.21 C ATOM 1093 CD2 TRP A 66 -10.328 1.212 -2.306 1.00 32.32 C ATOM 1094 NE1 TRP A 66 -11.679 -0.520 -1.855 1.00 72.43 N ATOM 1095 CE2 TRP A 66 -11.279 0.713 -1.405 1.00 52.44 C ATOM 1096 CE3 TRP A 66 -9.761 2.470 -2.059 1.00 15.11 C ATOM 1097 CZ2 TRP A 66 -11.674 1.423 -0.278 1.00 23.33 C ATOM 1098 CZ3 TRP A 66 -10.159 3.175 -0.936 1.00 35.12 C ATOM 1099 CH2 TRP A 66 -11.110 2.648 -0.058 1.00 14.40 C ATOM 0 H TRP A 66 -10.687 -0.395 -6.766 1.00 52.43 H new ATOM 0 HA TRP A 66 -10.166 2.133 -5.293 1.00 2.45 H new ATOM 0 HB2 TRP A 66 -9.031 -0.671 -4.910 1.00 70.50 H new ATOM 0 HB3 TRP A 66 -8.300 0.766 -4.223 1.00 70.50 H new ATOM 0 HD1 TRP A 66 -11.134 -1.712 -3.594 1.00 31.21 H new ATOM 0 HE1 TRP A 66 -12.362 -1.125 -1.399 1.00 72.43 H new ATOM 0 HE3 TRP A 66 -9.026 2.883 -2.734 1.00 15.11 H new ATOM 0 HZ2 TRP A 66 -12.406 1.018 0.405 1.00 23.33 H new ATOM 0 HZ3 TRP A 66 -9.729 4.145 -0.736 1.00 35.12 H new ATOM 0 HH2 TRP A 66 -11.404 3.219 0.810 1.00 14.40 H new ATOM 1110 N THR A 67 -8.414 2.721 -6.982 1.00 72.41 N ATOM 1111 CA THR A 67 -7.400 3.149 -7.955 1.00 42.45 C ATOM 1112 C THR A 67 -6.163 3.736 -7.227 1.00 52.44 C ATOM 1113 O THR A 67 -6.280 4.700 -6.461 1.00 43.13 O ATOM 1114 CB THR A 67 -8.007 4.184 -8.973 1.00 1.14 C ATOM 1115 OG1 THR A 67 -6.987 4.640 -9.878 1.00 62.12 O ATOM 1116 CG2 THR A 67 -8.673 5.397 -8.286 1.00 34.43 C ATOM 0 H THR A 67 -8.844 3.497 -6.479 1.00 72.41 H new ATOM 0 HA THR A 67 -7.074 2.277 -8.522 1.00 42.45 H new ATOM 0 HB THR A 67 -8.791 3.659 -9.519 1.00 1.14 H new ATOM 0 HG1 THR A 67 -7.373 5.282 -10.509 1.00 62.12 H new ATOM 0 HG21 THR A 67 -9.071 6.071 -9.044 1.00 34.43 H new ATOM 0 HG22 THR A 67 -9.485 5.052 -7.645 1.00 34.43 H new ATOM 0 HG23 THR A 67 -7.934 5.925 -7.683 1.00 34.43 H new ATOM 1124 N VAL A 68 -4.977 3.126 -7.448 1.00 25.32 N ATOM 1125 CA VAL A 68 -3.713 3.586 -6.839 1.00 34.34 C ATOM 1126 C VAL A 68 -3.229 4.868 -7.551 1.00 22.20 C ATOM 1127 O VAL A 68 -3.013 4.876 -8.769 1.00 32.24 O ATOM 1128 CB VAL A 68 -2.590 2.479 -6.884 1.00 52.21 C ATOM 1129 CG1 VAL A 68 -1.276 2.973 -6.221 1.00 62.00 C ATOM 1130 CG2 VAL A 68 -3.089 1.171 -6.225 1.00 70.15 C ATOM 0 H VAL A 68 -4.871 2.308 -8.048 1.00 25.32 H new ATOM 0 HA VAL A 68 -3.910 3.799 -5.788 1.00 34.34 H new ATOM 0 HB VAL A 68 -2.367 2.272 -7.931 1.00 52.21 H new ATOM 0 HG11 VAL A 68 -0.525 2.185 -6.270 1.00 62.00 H new ATOM 0 HG12 VAL A 68 -0.912 3.855 -6.748 1.00 62.00 H new ATOM 0 HG13 VAL A 68 -1.468 3.227 -5.178 1.00 62.00 H new ATOM 0 HG21 VAL A 68 -2.301 0.419 -6.266 1.00 70.15 H new ATOM 0 HG22 VAL A 68 -3.352 1.365 -5.185 1.00 70.15 H new ATOM 0 HG23 VAL A 68 -3.966 0.806 -6.759 1.00 70.15 H new ATOM 1140 N LYS A 69 -3.105 5.946 -6.765 1.00 41.34 N ATOM 1141 CA LYS A 69 -2.675 7.267 -7.233 1.00 13.01 C ATOM 1142 C LYS A 69 -1.164 7.301 -7.458 1.00 41.03 C ATOM 1143 O LYS A 69 -0.697 7.622 -8.554 1.00 55.21 O ATOM 1144 CB LYS A 69 -3.075 8.343 -6.187 1.00 71.21 C ATOM 1145 CG LYS A 69 -4.578 8.433 -5.854 1.00 45.34 C ATOM 1146 CD LYS A 69 -5.462 9.011 -7.000 1.00 60.25 C ATOM 1147 CE LYS A 69 -5.915 7.978 -8.048 1.00 13.43 C ATOM 1148 NZ LYS A 69 -6.870 8.574 -9.021 1.00 23.43 N ATOM 0 H LYS A 69 -3.306 5.922 -5.765 1.00 41.34 H new ATOM 0 HA LYS A 69 -3.167 7.476 -8.183 1.00 13.01 H new ATOM 0 HB2 LYS A 69 -2.529 8.145 -5.264 1.00 71.21 H new ATOM 0 HB3 LYS A 69 -2.744 9.316 -6.551 1.00 71.21 H new ATOM 0 HG2 LYS A 69 -4.941 7.437 -5.600 1.00 45.34 H new ATOM 0 HG3 LYS A 69 -4.704 9.054 -4.967 1.00 45.34 H new ATOM 0 HD2 LYS A 69 -6.346 9.474 -6.560 1.00 60.25 H new ATOM 0 HD3 LYS A 69 -4.907 9.801 -7.505 1.00 60.25 H new ATOM 0 HE2 LYS A 69 -5.045 7.592 -8.580 1.00 13.43 H new ATOM 0 HE3 LYS A 69 -6.385 7.131 -7.547 1.00 13.43 H new ATOM 0 HZ1 LYS A 69 -7.051 7.897 -9.789 1.00 23.43 H new ATOM 0 HZ2 LYS A 69 -7.764 8.797 -8.538 1.00 23.43 H new ATOM 0 HZ3 LYS A 69 -6.464 9.446 -9.417 1.00 23.43 H new ATOM 1162 N ARG A 70 -0.414 6.953 -6.408 1.00 31.15 N ATOM 1163 CA ARG A 70 1.045 7.079 -6.401 1.00 53.00 C ATOM 1164 C ARG A 70 1.650 6.245 -5.259 1.00 22.23 C ATOM 1165 O ARG A 70 1.235 6.359 -4.103 1.00 41.24 O ATOM 1166 CB ARG A 70 1.442 8.586 -6.280 1.00 23.43 C ATOM 1167 CG ARG A 70 2.942 8.865 -6.034 1.00 32.42 C ATOM 1168 CD ARG A 70 3.289 10.371 -6.073 1.00 54.21 C ATOM 1169 NE ARG A 70 4.587 10.650 -5.429 1.00 52.42 N ATOM 1170 CZ ARG A 70 5.721 11.008 -6.037 1.00 23.33 C ATOM 1171 NH1 ARG A 70 5.782 11.165 -7.347 1.00 12.51 N ATOM 1172 NH2 ARG A 70 6.813 11.178 -5.313 1.00 75.30 N ATOM 0 H ARG A 70 -0.800 6.577 -5.542 1.00 31.15 H new ATOM 0 HA ARG A 70 1.446 6.693 -7.338 1.00 53.00 H new ATOM 0 HB2 ARG A 70 1.141 9.097 -7.195 1.00 23.43 H new ATOM 0 HB3 ARG A 70 0.870 9.029 -5.465 1.00 23.43 H new ATOM 0 HG2 ARG A 70 3.228 8.457 -5.065 1.00 32.42 H new ATOM 0 HG3 ARG A 70 3.532 8.342 -6.787 1.00 32.42 H new ATOM 0 HD2 ARG A 70 3.316 10.711 -7.108 1.00 54.21 H new ATOM 0 HD3 ARG A 70 2.505 10.938 -5.571 1.00 54.21 H new ATOM 0 HE ARG A 70 4.622 10.560 -4.414 1.00 52.42 H new ATOM 0 HH11 ARG A 70 4.951 11.012 -7.918 1.00 12.51 H new ATOM 0 HH12 ARG A 70 6.660 11.439 -7.787 1.00 12.51 H new ATOM 0 HH21 ARG A 70 6.783 11.036 -4.303 1.00 75.30 H new ATOM 0 HH22 ARG A 70 7.686 11.451 -5.764 1.00 75.30 H new ATOM 1186 N ILE A 71 2.594 5.366 -5.620 1.00 40.31 N ATOM 1187 CA ILE A 71 3.472 4.673 -4.669 1.00 30.45 C ATOM 1188 C ILE A 71 4.759 5.492 -4.533 1.00 55.32 C ATOM 1189 O ILE A 71 5.347 5.883 -5.548 1.00 21.43 O ATOM 1190 CB ILE A 71 3.826 3.216 -5.149 1.00 35.42 C ATOM 1191 CG1 ILE A 71 2.527 2.385 -5.377 1.00 73.04 C ATOM 1192 CG2 ILE A 71 4.779 2.510 -4.140 1.00 4.41 C ATOM 1193 CD1 ILE A 71 2.762 0.965 -5.840 1.00 43.25 C ATOM 0 H ILE A 71 2.771 5.113 -6.592 1.00 40.31 H new ATOM 0 HA ILE A 71 2.955 4.583 -3.713 1.00 30.45 H new ATOM 0 HB ILE A 71 4.352 3.288 -6.101 1.00 35.42 H new ATOM 0 HG12 ILE A 71 1.959 2.361 -4.447 1.00 73.04 H new ATOM 0 HG13 ILE A 71 1.909 2.896 -6.115 1.00 73.04 H new ATOM 0 HG21 ILE A 71 5.007 1.505 -4.497 1.00 4.41 H new ATOM 0 HG22 ILE A 71 5.703 3.082 -4.051 1.00 4.41 H new ATOM 0 HG23 ILE A 71 4.295 2.448 -3.165 1.00 4.41 H new ATOM 0 HD11 ILE A 71 1.804 0.462 -5.973 1.00 43.25 H new ATOM 0 HD12 ILE A 71 3.301 0.976 -6.788 1.00 43.25 H new ATOM 0 HD13 ILE A 71 3.351 0.432 -5.094 1.00 43.25 H new ATOM 1205 N THR A 72 5.188 5.761 -3.297 1.00 61.04 N ATOM 1206 CA THR A 72 6.400 6.528 -3.012 1.00 15.44 C ATOM 1207 C THR A 72 7.166 5.872 -1.869 1.00 23.51 C ATOM 1208 O THR A 72 6.600 5.630 -0.803 1.00 2.33 O ATOM 1209 CB THR A 72 6.052 8.009 -2.647 1.00 23.01 C ATOM 1210 OG1 THR A 72 5.338 8.600 -3.736 1.00 61.24 O ATOM 1211 CG2 THR A 72 7.297 8.860 -2.344 1.00 12.52 C ATOM 0 H THR A 72 4.698 5.449 -2.459 1.00 61.04 H new ATOM 0 HA THR A 72 7.023 6.537 -3.907 1.00 15.44 H new ATOM 0 HB THR A 72 5.447 7.986 -1.741 1.00 23.01 H new ATOM 0 HG1 THR A 72 5.896 8.582 -4.541 1.00 61.24 H new ATOM 0 HG21 THR A 72 6.991 9.877 -2.098 1.00 12.52 H new ATOM 0 HG22 THR A 72 7.836 8.429 -1.501 1.00 12.52 H new ATOM 0 HG23 THR A 72 7.947 8.878 -3.219 1.00 12.52 H new ATOM 1219 N ARG A 73 8.443 5.569 -2.108 1.00 4.43 N ATOM 1220 CA ARG A 73 9.365 5.135 -1.067 1.00 42.24 C ATOM 1221 C ARG A 73 9.767 6.362 -0.231 1.00 50.04 C ATOM 1222 O ARG A 73 9.891 7.470 -0.779 1.00 2.11 O ATOM 1223 CB ARG A 73 10.618 4.483 -1.709 1.00 3.50 C ATOM 1224 CG ARG A 73 11.592 3.847 -0.698 1.00 13.43 C ATOM 1225 CD ARG A 73 12.848 3.267 -1.369 1.00 12.40 C ATOM 1226 NE ARG A 73 13.719 4.319 -1.944 1.00 41.42 N ATOM 1227 CZ ARG A 73 14.925 4.675 -1.468 1.00 2.44 C ATOM 1228 NH1 ARG A 73 15.438 4.088 -0.389 1.00 12.43 N ATOM 1229 NH2 ARG A 73 15.619 5.621 -2.086 1.00 72.14 N ATOM 0 H ARG A 73 8.865 5.619 -3.035 1.00 4.43 H new ATOM 0 HA ARG A 73 8.887 4.395 -0.426 1.00 42.24 H new ATOM 0 HB2 ARG A 73 10.294 3.717 -2.414 1.00 3.50 H new ATOM 0 HB3 ARG A 73 11.152 5.240 -2.284 1.00 3.50 H new ATOM 0 HG2 ARG A 73 11.890 4.597 0.035 1.00 13.43 H new ATOM 0 HG3 ARG A 73 11.078 3.055 -0.153 1.00 13.43 H new ATOM 0 HD2 ARG A 73 13.414 2.691 -0.637 1.00 12.40 H new ATOM 0 HD3 ARG A 73 12.549 2.576 -2.157 1.00 12.40 H new ATOM 0 HE ARG A 73 13.376 4.813 -2.768 1.00 41.42 H new ATOM 0 HH11 ARG A 73 14.915 3.355 0.091 1.00 12.43 H new ATOM 0 HH12 ARG A 73 16.354 4.371 -0.042 1.00 12.43 H new ATOM 0 HH21 ARG A 73 15.237 6.073 -2.917 1.00 72.14 H new ATOM 0 HH22 ARG A 73 16.535 5.896 -1.731 1.00 72.14 H new ATOM 1243 N THR A 74 9.956 6.157 1.083 1.00 62.22 N ATOM 1244 CA THR A 74 10.494 7.178 1.994 1.00 12.51 C ATOM 1245 C THR A 74 11.881 7.635 1.496 1.00 11.32 C ATOM 1246 O THR A 74 12.603 6.838 0.860 1.00 73.24 O ATOM 1247 CB THR A 74 10.585 6.629 3.464 1.00 72.23 C ATOM 1248 OG1 THR A 74 11.032 7.665 4.356 1.00 25.54 O ATOM 1249 CG2 THR A 74 11.523 5.402 3.583 1.00 60.04 C ATOM 0 H THR A 74 9.738 5.274 1.544 1.00 62.22 H new ATOM 0 HA THR A 74 9.818 8.033 2.002 1.00 12.51 H new ATOM 0 HB THR A 74 9.582 6.305 3.742 1.00 72.23 H new ATOM 0 HG1 THR A 74 11.083 7.311 5.269 1.00 25.54 H new ATOM 0 HG21 THR A 74 11.549 5.063 4.619 1.00 60.04 H new ATOM 0 HG22 THR A 74 11.152 4.598 2.947 1.00 60.04 H new ATOM 0 HG23 THR A 74 12.528 5.680 3.267 1.00 60.04 H new ATOM 1257 N VAL A 75 12.235 8.921 1.736 1.00 54.20 N ATOM 1258 CA VAL A 75 13.515 9.478 1.276 1.00 55.15 C ATOM 1259 C VAL A 75 14.675 8.733 1.976 1.00 63.11 C ATOM 1260 O VAL A 75 15.007 8.995 3.134 1.00 43.32 O ATOM 1261 CB VAL A 75 13.607 11.047 1.517 1.00 44.21 C ATOM 1262 CG1 VAL A 75 14.973 11.629 1.046 1.00 44.33 C ATOM 1263 CG2 VAL A 75 12.425 11.774 0.816 1.00 43.50 C ATOM 0 H VAL A 75 11.649 9.584 2.244 1.00 54.20 H new ATOM 0 HA VAL A 75 13.589 9.330 0.199 1.00 55.15 H new ATOM 0 HB VAL A 75 13.537 11.220 2.591 1.00 44.21 H new ATOM 0 HG11 VAL A 75 14.993 12.703 1.229 1.00 44.33 H new ATOM 0 HG12 VAL A 75 15.782 11.151 1.599 1.00 44.33 H new ATOM 0 HG13 VAL A 75 15.101 11.440 -0.020 1.00 44.33 H new ATOM 0 HG21 VAL A 75 12.503 12.847 0.991 1.00 43.50 H new ATOM 0 HG22 VAL A 75 12.461 11.577 -0.255 1.00 43.50 H new ATOM 0 HG23 VAL A 75 11.481 11.408 1.221 1.00 43.50 H new ATOM 1273 N GLY A 76 15.227 7.760 1.241 1.00 44.24 N ATOM 1274 CA GLY A 76 16.399 6.991 1.660 1.00 45.44 C ATOM 1275 C GLY A 76 17.519 7.187 0.669 1.00 22.55 C ATOM 1276 O GLY A 76 18.309 6.276 0.401 1.00 43.11 O ATOM 0 H GLY A 76 14.866 7.483 0.328 1.00 44.24 H new ATOM 0 HA2 GLY A 76 16.719 7.310 2.652 1.00 45.44 H new ATOM 0 HA3 GLY A 76 16.145 5.933 1.731 1.00 45.44 H new ATOM 1280 N SER A 77 17.561 8.405 0.127 1.00 52.52 N ATOM 1281 CA SER A 77 18.483 8.830 -0.919 1.00 62.24 C ATOM 1282 C SER A 77 18.784 10.322 -0.690 1.00 32.34 C ATOM 1283 O SER A 77 18.462 10.857 0.385 1.00 52.24 O ATOM 1284 CB SER A 77 17.819 8.573 -2.299 1.00 75.42 C ATOM 1285 OG SER A 77 18.713 8.808 -3.374 1.00 14.23 O ATOM 0 H SER A 77 16.927 9.149 0.418 1.00 52.52 H new ATOM 0 HA SER A 77 19.421 8.274 -0.895 1.00 62.24 H new ATOM 0 HB2 SER A 77 17.463 7.544 -2.343 1.00 75.42 H new ATOM 0 HB3 SER A 77 16.946 9.217 -2.406 1.00 75.42 H new ATOM 0 HG SER A 77 18.256 8.633 -4.223 1.00 14.23 H new ATOM 1291 N LEU A 78 19.407 10.991 -1.672 1.00 13.22 N ATOM 1292 CA LEU A 78 19.575 12.453 -1.636 1.00 63.05 C ATOM 1293 C LEU A 78 18.202 13.132 -1.716 1.00 70.03 C ATOM 1294 O LEU A 78 17.272 12.622 -2.376 1.00 12.23 O ATOM 1295 CB LEU A 78 20.507 12.981 -2.772 1.00 64.41 C ATOM 1296 CG LEU A 78 19.980 12.884 -4.248 1.00 42.44 C ATOM 1297 CD1 LEU A 78 20.792 13.805 -5.184 1.00 3.22 C ATOM 1298 CD2 LEU A 78 20.003 11.431 -4.775 1.00 73.40 C ATOM 0 H LEU A 78 19.802 10.545 -2.500 1.00 13.22 H new ATOM 0 HA LEU A 78 20.059 12.702 -0.692 1.00 63.05 H new ATOM 0 HB2 LEU A 78 20.732 14.027 -2.563 1.00 64.41 H new ATOM 0 HB3 LEU A 78 21.449 12.435 -2.715 1.00 64.41 H new ATOM 0 HG LEU A 78 18.942 13.217 -4.239 1.00 42.44 H new ATOM 0 HD11 LEU A 78 20.408 13.720 -6.201 1.00 3.22 H new ATOM 0 HD12 LEU A 78 20.701 14.838 -4.847 1.00 3.22 H new ATOM 0 HD13 LEU A 78 21.841 13.508 -5.166 1.00 3.22 H new ATOM 0 HD21 LEU A 78 19.630 11.409 -5.799 1.00 73.40 H new ATOM 0 HD22 LEU A 78 21.025 11.052 -4.752 1.00 73.40 H new ATOM 0 HD23 LEU A 78 19.370 10.806 -4.145 1.00 73.40 H new ATOM 1310 N GLU A 79 18.086 14.274 -1.022 1.00 75.42 N ATOM 1311 CA GLU A 79 16.862 15.077 -1.001 1.00 42.44 C ATOM 1312 C GLU A 79 16.742 15.847 -2.329 1.00 43.04 C ATOM 1313 O GLU A 79 17.217 16.977 -2.457 1.00 44.00 O ATOM 1314 CB GLU A 79 16.857 16.022 0.230 1.00 73.24 C ATOM 1315 CG GLU A 79 17.060 15.284 1.564 1.00 70.34 C ATOM 1316 CD GLU A 79 16.805 16.169 2.790 1.00 61.34 C ATOM 1317 OE1 GLU A 79 17.638 17.049 3.090 1.00 0.01 O ATOM 1318 OE2 GLU A 79 15.765 15.986 3.462 1.00 73.34 O ATOM 0 H GLU A 79 18.842 14.664 -0.459 1.00 75.42 H new ATOM 0 HA GLU A 79 15.990 14.430 -0.904 1.00 42.44 H new ATOM 0 HB2 GLU A 79 17.644 16.766 0.111 1.00 73.24 H new ATOM 0 HB3 GLU A 79 15.910 16.561 0.261 1.00 73.24 H new ATOM 0 HG2 GLU A 79 16.392 14.423 1.601 1.00 70.34 H new ATOM 0 HG3 GLU A 79 18.079 14.899 1.607 1.00 70.34 H new ATOM 1325 N HIS A 80 16.151 15.146 -3.306 1.00 1.31 N ATOM 1326 CA HIS A 80 15.995 15.579 -4.711 1.00 54.32 C ATOM 1327 C HIS A 80 15.244 16.930 -4.844 1.00 63.35 C ATOM 1328 O HIS A 80 14.015 16.977 -4.907 1.00 11.12 O ATOM 1329 CB HIS A 80 15.288 14.433 -5.520 1.00 15.42 C ATOM 1330 CG HIS A 80 14.125 13.792 -4.782 1.00 1.41 C ATOM 1331 ND1 HIS A 80 14.273 12.667 -4.001 1.00 42.13 N ATOM 1332 CD2 HIS A 80 12.816 14.147 -4.673 1.00 43.24 C ATOM 1333 CE1 HIS A 80 13.113 12.357 -3.445 1.00 30.42 C ATOM 1334 NE2 HIS A 80 12.224 13.237 -3.833 1.00 4.42 N ATOM 0 H HIS A 80 15.750 14.223 -3.137 1.00 1.31 H new ATOM 0 HA HIS A 80 16.985 15.760 -5.129 1.00 54.32 H new ATOM 0 HB2 HIS A 80 14.928 14.837 -6.466 1.00 15.42 H new ATOM 0 HB3 HIS A 80 16.022 13.664 -5.761 1.00 15.42 H new ATOM 0 HD2 HIS A 80 12.335 14.985 -5.155 1.00 43.24 H new ATOM 0 HE1 HIS A 80 12.931 11.522 -2.785 1.00 30.42 H new ATOM 0 HE2 HIS A 80 11.243 13.245 -3.554 1.00 4.42 H new ATOM 1343 N HIS A 81 16.012 18.034 -4.835 1.00 11.14 N ATOM 1344 CA HIS A 81 15.474 19.385 -5.094 1.00 5.43 C ATOM 1345 C HIS A 81 15.471 19.649 -6.607 1.00 44.23 C ATOM 1346 O HIS A 81 16.521 19.594 -7.261 1.00 74.21 O ATOM 1347 CB HIS A 81 16.297 20.477 -4.358 1.00 1.15 C ATOM 1348 CG HIS A 81 15.800 21.883 -4.640 1.00 44.15 C ATOM 1349 ND1 HIS A 81 16.540 22.829 -5.325 1.00 72.43 N ATOM 1350 CD2 HIS A 81 14.607 22.476 -4.380 1.00 31.22 C ATOM 1351 CE1 HIS A 81 15.827 23.926 -5.471 1.00 62.22 C ATOM 1352 NE2 HIS A 81 14.650 23.740 -4.913 1.00 51.12 N ATOM 0 H HIS A 81 17.015 18.018 -4.650 1.00 11.14 H new ATOM 0 HA HIS A 81 14.455 19.430 -4.710 1.00 5.43 H new ATOM 0 HB2 HIS A 81 16.258 20.292 -3.285 1.00 1.15 H new ATOM 0 HB3 HIS A 81 17.342 20.400 -4.657 1.00 1.15 H new ATOM 0 HD2 HIS A 81 13.776 22.034 -3.851 1.00 31.22 H new ATOM 0 HE1 HIS A 81 16.154 24.828 -5.966 1.00 62.22 H new ATOM 0 HE2 HIS A 81 13.893 24.423 -4.882 1.00 51.12 H new ATOM 1361 N HIS A 82 14.282 19.930 -7.155 1.00 34.43 N ATOM 1362 CA HIS A 82 14.095 20.277 -8.569 1.00 74.13 C ATOM 1363 C HIS A 82 13.482 21.684 -8.654 1.00 42.35 C ATOM 1364 O HIS A 82 12.930 22.182 -7.657 1.00 32.51 O ATOM 1365 CB HIS A 82 13.202 19.216 -9.272 1.00 15.23 C ATOM 1366 CG HIS A 82 11.728 19.292 -8.944 1.00 21.15 C ATOM 1367 ND1 HIS A 82 10.786 19.760 -9.835 1.00 23.12 N ATOM 1368 CD2 HIS A 82 11.038 18.929 -7.844 1.00 32.14 C ATOM 1369 CE1 HIS A 82 9.591 19.682 -9.292 1.00 11.25 C ATOM 1370 NE2 HIS A 82 9.715 19.182 -8.086 1.00 24.24 N ATOM 0 H HIS A 82 13.412 19.923 -6.622 1.00 34.43 H new ATOM 0 HA HIS A 82 15.055 20.281 -9.086 1.00 74.13 H new ATOM 0 HB2 HIS A 82 13.323 19.320 -10.350 1.00 15.23 H new ATOM 0 HB3 HIS A 82 13.566 18.224 -9.005 1.00 15.23 H new ATOM 0 HD2 HIS A 82 11.453 18.514 -6.937 1.00 32.14 H new ATOM 0 HE1 HIS A 82 8.664 19.979 -9.760 1.00 11.25 H new ATOM 0 HE2 HIS A 82 8.950 19.010 -7.434 1.00 24.24 H new ATOM 1379 N HIS A 83 13.576 22.321 -9.835 1.00 22.44 N ATOM 1380 CA HIS A 83 13.072 23.697 -10.028 1.00 1.14 C ATOM 1381 C HIS A 83 11.540 23.714 -10.201 1.00 33.24 C ATOM 1382 O HIS A 83 10.940 22.728 -10.652 1.00 70.34 O ATOM 1383 CB HIS A 83 13.772 24.396 -11.227 1.00 12.55 C ATOM 1384 CG HIS A 83 13.595 23.733 -12.578 1.00 23.32 C ATOM 1385 ND1 HIS A 83 14.608 23.047 -13.213 1.00 15.11 N ATOM 1386 CD2 HIS A 83 12.537 23.690 -13.427 1.00 30.21 C ATOM 1387 CE1 HIS A 83 14.181 22.617 -14.385 1.00 11.34 C ATOM 1388 NE2 HIS A 83 12.934 22.996 -14.540 1.00 61.51 N ATOM 0 H HIS A 83 13.994 21.909 -10.669 1.00 22.44 H new ATOM 0 HA HIS A 83 13.314 24.260 -9.127 1.00 1.14 H new ATOM 0 HB2 HIS A 83 13.399 25.418 -11.294 1.00 12.55 H new ATOM 0 HB3 HIS A 83 14.839 24.459 -11.013 1.00 12.55 H new ATOM 0 HD2 HIS A 83 11.562 24.123 -13.257 1.00 30.21 H new ATOM 0 HE1 HIS A 83 14.760 22.048 -15.097 1.00 11.34 H new ATOM 0 HE2 HIS A 83 12.354 22.805 -15.357 1.00 61.51 H new ATOM 1397 N HIS A 84 10.931 24.849 -9.831 1.00 34.11 N ATOM 1398 CA HIS A 84 9.503 25.115 -10.052 1.00 20.44 C ATOM 1399 C HIS A 84 9.383 26.201 -11.129 1.00 53.34 C ATOM 1400 O HIS A 84 9.503 27.394 -10.829 1.00 34.25 O ATOM 1401 CB HIS A 84 8.821 25.558 -8.728 1.00 62.44 C ATOM 1402 CG HIS A 84 7.355 25.905 -8.881 1.00 43.14 C ATOM 1403 ND1 HIS A 84 6.882 27.199 -8.843 1.00 54.34 N ATOM 1404 CD2 HIS A 84 6.267 25.120 -9.080 1.00 21.12 C ATOM 1405 CE1 HIS A 84 5.574 27.193 -9.007 1.00 50.34 C ATOM 1406 NE2 HIS A 84 5.178 25.948 -9.157 1.00 44.25 N ATOM 0 H HIS A 84 11.420 25.614 -9.366 1.00 34.11 H new ATOM 0 HA HIS A 84 8.996 24.210 -10.387 1.00 20.44 H new ATOM 0 HB2 HIS A 84 8.921 24.758 -7.994 1.00 62.44 H new ATOM 0 HB3 HIS A 84 9.350 26.424 -8.330 1.00 62.44 H new ATOM 0 HD2 HIS A 84 6.260 24.043 -9.162 1.00 21.12 H new ATOM 0 HE1 HIS A 84 4.935 28.064 -9.017 1.00 50.34 H new ATOM 0 HE2 HIS A 84 4.215 25.647 -9.307 1.00 44.25 H new ATOM 1415 N HIS A 85 9.221 25.774 -12.391 1.00 2.12 N ATOM 1416 CA HIS A 85 9.076 26.691 -13.532 1.00 12.21 C ATOM 1417 C HIS A 85 7.596 27.130 -13.640 1.00 45.32 C ATOM 1418 O HIS A 85 6.791 26.418 -14.278 1.00 33.13 O ATOM 1419 CB HIS A 85 9.601 26.020 -14.838 1.00 25.45 C ATOM 1420 CG HIS A 85 9.665 26.949 -16.025 1.00 42.34 C ATOM 1421 ND1 HIS A 85 10.712 27.824 -16.240 1.00 24.34 N ATOM 1422 CD2 HIS A 85 8.824 27.128 -17.074 1.00 44.11 C ATOM 1423 CE1 HIS A 85 10.509 28.494 -17.346 1.00 74.35 C ATOM 1424 NE2 HIS A 85 9.375 28.095 -17.877 1.00 23.13 N ATOM 1425 OXT HIS A 85 7.232 28.168 -13.042 1.00 37.33 O ATOM 0 H HIS A 85 9.187 24.788 -12.648 1.00 2.12 H new ATOM 0 HA HIS A 85 9.681 27.585 -13.379 1.00 12.21 H new ATOM 0 HB2 HIS A 85 10.596 25.617 -14.652 1.00 25.45 H new ATOM 0 HB3 HIS A 85 8.956 25.176 -15.085 1.00 25.45 H new ATOM 0 HD2 HIS A 85 7.894 26.607 -17.245 1.00 44.11 H new ATOM 0 HE1 HIS A 85 11.164 29.249 -17.754 1.00 74.35 H new ATOM 0 HE2 HIS A 85 8.970 28.447 -18.745 1.00 23.13 H new TER 1434 HIS A 85