USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 872 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 93 ASN : amide:sc= -3.68! C(o=-5.7!,f=-7.3!) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= -1.06 USER MOD Set 1.3: A 100 ASN : amide:sc= -0.996 K(o=-5.7,f=-6.4) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -171:sc= 0.486 (180deg=0) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0.444 USER MOD Set 3.1: A 29 THR OG1 : rot -94:sc= 1.18 USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0.942 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.157 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.435 K(o=-0.44,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 1.08 (180deg=1.04) USER MOD Single : A 24 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.15) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.292 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00544) USER MOD Single : A 38 THR OG1 : rot -5:sc= 1.25 USER MOD Single : A 39 TYR OH : rot -164:sc= 0.902 USER MOD Single : A 42 TYR OH : rot 86:sc= 0.667 USER MOD Single : A 45 SER OG : rot 76:sc= 0.206 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.423 X(o=0.42,f=-0.034) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 14:sc= 1.24 USER MOD Single : A 60 SER OG : rot 160:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.18) USER MOD Single : A 74 HIS : no HE2:sc= 0.485 K(o=0.48,f=-1.9!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.213 USER MOD Single : A 76 THR OG1 : rot -59:sc= 1.34 USER MOD Single : A 78 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.8) USER MOD Single : A 79 TYR OH : rot 54:sc= 1.18 USER MOD Single : A 80 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.6) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= -0.153 (180deg=-2.44!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.381 USER MOD Single : A 87 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0.25) USER MOD Single : A 89 MET CE :methyl 176:sc= -1.5 (180deg=-1.79) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -132:sc= 1.63 (180deg=-0.27) USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.13) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.0974 X(o=0.097,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.498 -9.915 -3.627 1.00 42.25 N ATOM 2 CA GLY A 1 23.732 -9.019 -2.750 1.00 20.21 C ATOM 3 C GLY A 1 22.361 -9.594 -2.481 1.00 43.11 C ATOM 4 O GLY A 1 22.153 -10.785 -2.703 1.00 23.10 O ATOM 0 H1 GLY A 1 25.416 -10.129 -3.188 1.00 42.25 H new ATOM 0 H2 GLY A 1 23.968 -10.798 -3.769 1.00 42.25 H new ATOM 0 H3 GLY A 1 24.653 -9.453 -4.546 1.00 42.25 H new ATOM 0 HA2 GLY A 1 24.265 -8.876 -1.810 1.00 20.21 H new ATOM 0 HA3 GLY A 1 23.637 -8.038 -3.215 1.00 20.21 H new ATOM 8 N ASP A 2 21.426 -8.735 -2.074 1.00 63.52 N ATOM 9 CA ASP A 2 20.034 -9.062 -1.787 1.00 4.33 C ATOM 10 C ASP A 2 19.955 -9.982 -0.566 1.00 74.23 C ATOM 11 O ASP A 2 20.187 -11.189 -0.649 1.00 64.32 O ATOM 12 CB ASP A 2 19.329 -9.602 -3.030 1.00 32.33 C ATOM 13 CG ASP A 2 17.835 -9.583 -2.780 1.00 35.12 C ATOM 14 OD1 ASP A 2 17.249 -8.499 -2.982 1.00 21.23 O ATOM 15 OD2 ASP A 2 17.303 -10.643 -2.377 1.00 0.10 O ATOM 0 H ASP A 2 21.631 -7.746 -1.929 1.00 63.52 H new ATOM 0 HA ASP A 2 19.487 -8.157 -1.523 1.00 4.33 H new ATOM 0 HB2 ASP A 2 19.575 -8.993 -3.900 1.00 32.33 H new ATOM 0 HB3 ASP A 2 19.664 -10.617 -3.245 1.00 32.33 H new ATOM 20 N GLU A 3 19.771 -9.361 0.598 1.00 42.05 N ATOM 21 CA GLU A 3 20.042 -9.915 1.917 1.00 24.50 C ATOM 22 C GLU A 3 19.338 -8.976 2.918 1.00 23.43 C ATOM 23 O GLU A 3 19.958 -8.410 3.815 1.00 62.23 O ATOM 24 CB GLU A 3 21.570 -9.969 2.108 1.00 0.10 C ATOM 25 CG GLU A 3 22.051 -10.663 3.382 1.00 53.41 C ATOM 26 CD GLU A 3 23.462 -10.201 3.727 1.00 31.53 C ATOM 27 OE1 GLU A 3 24.384 -10.425 2.908 1.00 43.31 O ATOM 28 OE2 GLU A 3 23.647 -9.525 4.769 1.00 31.31 O ATOM 0 H GLU A 3 19.410 -8.408 0.645 1.00 42.05 H new ATOM 0 HA GLU A 3 19.671 -10.930 2.058 1.00 24.50 H new ATOM 0 HB2 GLU A 3 22.008 -10.479 1.250 1.00 0.10 H new ATOM 0 HB3 GLU A 3 21.955 -8.949 2.103 1.00 0.10 H new ATOM 0 HG2 GLU A 3 21.374 -10.438 4.206 1.00 53.41 H new ATOM 0 HG3 GLU A 3 22.037 -11.744 3.244 1.00 53.41 H new ATOM 35 N ASP A 4 18.069 -8.679 2.615 1.00 63.41 N ATOM 36 CA ASP A 4 17.120 -7.861 3.385 1.00 5.34 C ATOM 37 C ASP A 4 17.560 -6.401 3.504 1.00 52.44 C ATOM 38 O ASP A 4 16.995 -5.594 4.240 1.00 30.03 O ATOM 39 CB ASP A 4 16.749 -8.524 4.719 1.00 3.24 C ATOM 40 CG ASP A 4 15.446 -7.975 5.339 1.00 33.04 C ATOM 41 OD1 ASP A 4 14.713 -7.205 4.678 1.00 11.10 O ATOM 42 OD2 ASP A 4 15.094 -8.337 6.486 1.00 61.45 O ATOM 0 H ASP A 4 17.644 -9.032 1.757 1.00 63.41 H new ATOM 0 HA ASP A 4 16.191 -7.816 2.816 1.00 5.34 H new ATOM 0 HB2 ASP A 4 16.644 -9.598 4.565 1.00 3.24 H new ATOM 0 HB3 ASP A 4 17.566 -8.382 5.426 1.00 3.24 H new ATOM 47 N ASP A 5 18.506 -6.021 2.662 1.00 24.11 N ATOM 48 CA ASP A 5 19.049 -4.660 2.607 1.00 63.32 C ATOM 49 C ASP A 5 19.450 -4.251 1.189 1.00 60.01 C ATOM 50 O ASP A 5 20.475 -3.614 0.947 1.00 24.33 O ATOM 51 CB ASP A 5 20.167 -4.462 3.639 1.00 53.32 C ATOM 52 CG ASP A 5 20.427 -2.972 3.877 1.00 3.51 C ATOM 53 OD1 ASP A 5 19.471 -2.165 3.904 1.00 53.34 O ATOM 54 OD2 ASP A 5 21.600 -2.571 4.055 1.00 24.10 O ATOM 0 H ASP A 5 18.930 -6.654 1.984 1.00 24.11 H new ATOM 0 HA ASP A 5 18.249 -3.975 2.887 1.00 63.32 H new ATOM 0 HB2 ASP A 5 19.891 -4.942 4.578 1.00 53.32 H new ATOM 0 HB3 ASP A 5 21.080 -4.944 3.290 1.00 53.32 H new ATOM 59 N LYS A 6 18.610 -4.644 0.235 1.00 73.01 N ATOM 60 CA LYS A 6 18.412 -3.938 -1.027 1.00 24.11 C ATOM 61 C LYS A 6 17.153 -3.084 -0.865 1.00 60.02 C ATOM 62 O LYS A 6 16.453 -3.208 0.142 1.00 55.52 O ATOM 63 CB LYS A 6 18.294 -4.975 -2.160 1.00 54.35 C ATOM 64 CG LYS A 6 19.693 -5.373 -2.662 1.00 32.20 C ATOM 65 CD LYS A 6 20.170 -4.469 -3.809 1.00 24.30 C ATOM 66 CE LYS A 6 21.614 -3.988 -3.646 1.00 61.51 C ATOM 67 NZ LYS A 6 22.126 -3.411 -4.907 1.00 61.34 N ATOM 0 H LYS A 6 18.035 -5.482 0.320 1.00 73.01 H new ATOM 0 HA LYS A 6 19.246 -3.284 -1.284 1.00 24.11 H new ATOM 0 HB2 LYS A 6 17.763 -5.857 -1.802 1.00 54.35 H new ATOM 0 HB3 LYS A 6 17.708 -4.562 -2.981 1.00 54.35 H new ATOM 0 HG2 LYS A 6 20.404 -5.318 -1.837 1.00 32.20 H new ATOM 0 HG3 LYS A 6 19.676 -6.409 -3.000 1.00 32.20 H new ATOM 0 HD2 LYS A 6 20.080 -5.011 -4.750 1.00 24.30 H new ATOM 0 HD3 LYS A 6 19.512 -3.603 -3.876 1.00 24.30 H new ATOM 0 HE2 LYS A 6 21.665 -3.242 -2.853 1.00 61.51 H new ATOM 0 HE3 LYS A 6 22.246 -4.822 -3.340 1.00 61.51 H new ATOM 0 HZ1 LYS A 6 23.107 -3.092 -4.770 1.00 61.34 H new ATOM 0 HZ2 LYS A 6 22.098 -4.132 -5.656 1.00 61.34 H new ATOM 0 HZ3 LYS A 6 21.535 -2.602 -5.184 1.00 61.34 H new ATOM 81 N VAL A 7 16.887 -2.189 -1.803 1.00 42.44 N ATOM 82 CA VAL A 7 15.687 -1.381 -1.924 1.00 31.10 C ATOM 83 C VAL A 7 15.584 -1.033 -3.410 1.00 14.51 C ATOM 84 O VAL A 7 16.612 -0.955 -4.094 1.00 22.44 O ATOM 85 CB VAL A 7 15.831 -0.156 -1.014 1.00 11.40 C ATOM 86 CG1 VAL A 7 16.986 0.796 -1.355 1.00 34.12 C ATOM 87 CG2 VAL A 7 14.515 0.611 -0.955 1.00 35.41 C ATOM 0 H VAL A 7 17.552 -1.996 -2.552 1.00 42.44 H new ATOM 0 HA VAL A 7 14.773 -1.885 -1.609 1.00 31.10 H new ATOM 0 HB VAL A 7 16.089 -0.564 -0.037 1.00 11.40 H new ATOM 0 HG11 VAL A 7 16.994 1.626 -0.649 1.00 34.12 H new ATOM 0 HG12 VAL A 7 17.932 0.258 -1.293 1.00 34.12 H new ATOM 0 HG13 VAL A 7 16.853 1.181 -2.366 1.00 34.12 H new ATOM 0 HG21 VAL A 7 14.629 1.479 -0.306 1.00 35.41 H new ATOM 0 HG22 VAL A 7 14.241 0.941 -1.957 1.00 35.41 H new ATOM 0 HG23 VAL A 7 13.733 -0.038 -0.560 1.00 35.41 H new ATOM 97 N GLU A 8 14.375 -0.892 -3.946 1.00 55.14 N ATOM 98 CA GLU A 8 14.159 -0.999 -5.374 1.00 41.42 C ATOM 99 C GLU A 8 12.793 -0.398 -5.703 1.00 24.33 C ATOM 100 O GLU A 8 11.752 -1.013 -5.481 1.00 11.23 O ATOM 101 CB GLU A 8 14.326 -2.462 -5.819 1.00 60.01 C ATOM 102 CG GLU A 8 13.930 -3.542 -4.785 1.00 72.42 C ATOM 103 CD GLU A 8 14.159 -4.966 -5.295 1.00 22.12 C ATOM 104 OE1 GLU A 8 15.098 -5.153 -6.107 1.00 40.35 O ATOM 105 OE2 GLU A 8 13.424 -5.875 -4.856 1.00 52.54 O ATOM 0 H GLU A 8 13.531 -0.703 -3.405 1.00 55.14 H new ATOM 0 HA GLU A 8 14.902 -0.434 -5.936 1.00 41.42 H new ATOM 0 HB2 GLU A 8 13.731 -2.616 -6.719 1.00 60.01 H new ATOM 0 HB3 GLU A 8 15.369 -2.619 -6.095 1.00 60.01 H new ATOM 0 HG2 GLU A 8 14.505 -3.392 -3.871 1.00 72.42 H new ATOM 0 HG3 GLU A 8 12.879 -3.420 -4.524 1.00 72.42 H new ATOM 112 N ILE A 9 12.780 0.856 -6.155 1.00 74.34 N ATOM 113 CA ILE A 9 11.560 1.627 -6.379 1.00 33.24 C ATOM 114 C ILE A 9 10.634 0.962 -7.412 1.00 21.32 C ATOM 115 O ILE A 9 9.470 0.752 -7.077 1.00 41.22 O ATOM 116 CB ILE A 9 11.869 3.107 -6.699 1.00 11.20 C ATOM 117 CG1 ILE A 9 12.591 3.820 -5.533 1.00 32.40 C ATOM 118 CG2 ILE A 9 10.560 3.878 -6.942 1.00 61.21 C ATOM 119 CD1 ILE A 9 14.092 3.535 -5.429 1.00 43.14 C ATOM 0 H ILE A 9 13.631 1.372 -6.379 1.00 74.34 H new ATOM 0 HA ILE A 9 11.001 1.630 -5.443 1.00 33.24 H new ATOM 0 HB ILE A 9 12.510 3.102 -7.581 1.00 11.20 H new ATOM 0 HG12 ILE A 9 12.447 4.895 -5.640 1.00 32.40 H new ATOM 0 HG13 ILE A 9 12.115 3.526 -4.597 1.00 32.40 H new ATOM 0 HG21 ILE A 9 10.788 4.920 -7.167 1.00 61.21 H new ATOM 0 HG22 ILE A 9 10.027 3.434 -7.782 1.00 61.21 H new ATOM 0 HG23 ILE A 9 9.937 3.827 -6.049 1.00 61.21 H new ATOM 0 HD11 ILE A 9 14.508 4.080 -4.581 1.00 43.14 H new ATOM 0 HD12 ILE A 9 14.250 2.466 -5.286 1.00 43.14 H new ATOM 0 HD13 ILE A 9 14.588 3.856 -6.345 1.00 43.14 H new ATOM 131 N PRO A 10 11.070 0.592 -8.635 1.00 11.13 N ATOM 132 CA PRO A 10 10.156 -0.005 -9.608 1.00 2.43 C ATOM 133 C PRO A 10 9.651 -1.377 -9.155 1.00 31.32 C ATOM 134 O PRO A 10 8.600 -1.824 -9.619 1.00 24.22 O ATOM 135 CB PRO A 10 10.936 -0.093 -10.919 1.00 60.14 C ATOM 136 CG PRO A 10 12.385 -0.170 -10.454 1.00 33.43 C ATOM 137 CD PRO A 10 12.398 0.726 -9.220 1.00 55.51 C ATOM 0 HA PRO A 10 9.259 0.603 -9.723 1.00 2.43 H new ATOM 0 HB2 PRO A 10 10.652 -0.971 -11.499 1.00 60.14 H new ATOM 0 HB3 PRO A 10 10.761 0.777 -11.551 1.00 60.14 H new ATOM 0 HG2 PRO A 10 12.678 -1.192 -10.214 1.00 33.43 H new ATOM 0 HG3 PRO A 10 13.074 0.187 -11.219 1.00 33.43 H new ATOM 0 HD2 PRO A 10 13.171 0.416 -8.517 1.00 55.51 H new ATOM 0 HD3 PRO A 10 12.607 1.762 -9.488 1.00 55.51 H new ATOM 145 N GLN A 11 10.344 -2.033 -8.215 1.00 72.05 N ATOM 146 CA GLN A 11 9.881 -3.270 -7.608 1.00 62.45 C ATOM 147 C GLN A 11 8.693 -3.022 -6.661 1.00 42.34 C ATOM 148 O GLN A 11 8.184 -3.988 -6.114 1.00 60.33 O ATOM 149 CB GLN A 11 11.039 -3.988 -6.898 1.00 13.32 C ATOM 150 CG GLN A 11 10.861 -5.517 -6.784 1.00 20.31 C ATOM 151 CD GLN A 11 11.726 -6.399 -7.703 1.00 12.24 C ATOM 152 OE1 GLN A 11 11.823 -7.602 -7.488 1.00 42.34 O ATOM 153 NE2 GLN A 11 12.287 -5.901 -8.799 1.00 12.50 N ATOM 0 H GLN A 11 11.244 -1.712 -7.858 1.00 72.05 H new ATOM 0 HA GLN A 11 9.520 -3.925 -8.401 1.00 62.45 H new ATOM 0 HB2 GLN A 11 11.964 -3.780 -7.435 1.00 13.32 H new ATOM 0 HB3 GLN A 11 11.151 -3.571 -5.897 1.00 13.32 H new ATOM 0 HG2 GLN A 11 11.064 -5.804 -5.752 1.00 20.31 H new ATOM 0 HG3 GLN A 11 9.814 -5.750 -6.980 1.00 20.31 H new ATOM 0 HE21 GLN A 11 12.219 -4.903 -8.998 1.00 12.50 H new ATOM 0 HE22 GLN A 11 12.786 -6.517 -9.441 1.00 12.50 H new ATOM 162 N LEU A 12 8.202 -1.787 -6.471 1.00 34.03 N ATOM 163 CA LEU A 12 6.925 -1.516 -5.796 1.00 24.40 C ATOM 164 C LEU A 12 5.729 -1.744 -6.739 1.00 51.35 C ATOM 165 O LEU A 12 4.685 -2.143 -6.273 1.00 23.11 O ATOM 166 CB LEU A 12 6.923 -0.083 -5.200 1.00 55.21 C ATOM 167 CG LEU A 12 5.586 0.397 -4.559 1.00 54.13 C ATOM 168 CD1 LEU A 12 5.308 -0.083 -3.154 1.00 42.55 C ATOM 169 CD2 LEU A 12 5.476 1.926 -4.522 1.00 40.14 C ATOM 0 H LEU A 12 8.684 -0.944 -6.784 1.00 34.03 H new ATOM 0 HA LEU A 12 6.816 -2.223 -4.973 1.00 24.40 H new ATOM 0 HB2 LEU A 12 7.705 -0.026 -4.443 1.00 55.21 H new ATOM 0 HB3 LEU A 12 7.194 0.617 -5.991 1.00 55.21 H new ATOM 0 HG LEU A 12 4.850 -0.057 -5.223 1.00 54.13 H new ATOM 0 HD11 LEU A 12 4.351 0.315 -2.816 1.00 42.55 H new ATOM 0 HD12 LEU A 12 5.272 -1.172 -3.142 1.00 42.55 H new ATOM 0 HD13 LEU A 12 6.100 0.261 -2.489 1.00 42.55 H new ATOM 0 HD21 LEU A 12 4.528 2.212 -4.067 1.00 40.14 H new ATOM 0 HD22 LEU A 12 6.298 2.336 -3.935 1.00 40.14 H new ATOM 0 HD23 LEU A 12 5.524 2.319 -5.538 1.00 40.14 H new ATOM 181 N VAL A 13 5.792 -1.545 -8.055 1.00 63.01 N ATOM 182 CA VAL A 13 4.617 -1.452 -8.962 1.00 52.21 C ATOM 183 C VAL A 13 3.849 -2.756 -9.182 1.00 24.05 C ATOM 184 O VAL A 13 2.762 -2.734 -9.768 1.00 13.45 O ATOM 185 CB VAL A 13 5.172 -0.930 -10.310 1.00 22.32 C ATOM 186 CG1 VAL A 13 4.170 -0.866 -11.463 1.00 4.15 C ATOM 187 CG2 VAL A 13 5.857 0.441 -10.205 1.00 34.30 C ATOM 0 H VAL A 13 6.680 -1.439 -8.546 1.00 63.01 H new ATOM 0 HA VAL A 13 3.881 -0.793 -8.501 1.00 52.21 H new ATOM 0 HB VAL A 13 5.905 -1.701 -10.548 1.00 22.32 H new ATOM 0 HG11 VAL A 13 4.667 -0.487 -12.356 1.00 4.15 H new ATOM 0 HG12 VAL A 13 3.779 -1.864 -11.661 1.00 4.15 H new ATOM 0 HG13 VAL A 13 3.349 -0.201 -11.195 1.00 4.15 H new ATOM 0 HG21 VAL A 13 6.221 0.742 -11.187 1.00 34.30 H new ATOM 0 HG22 VAL A 13 5.141 1.178 -9.841 1.00 34.30 H new ATOM 0 HG23 VAL A 13 6.696 0.377 -9.512 1.00 34.30 H new ATOM 197 N GLY A 14 4.350 -3.881 -8.680 1.00 0.22 N ATOM 198 CA GLY A 14 3.595 -5.105 -8.588 1.00 21.24 C ATOM 199 C GLY A 14 2.351 -4.914 -7.735 1.00 23.41 C ATOM 200 O GLY A 14 1.857 -3.823 -7.450 1.00 15.52 O ATOM 0 H GLY A 14 5.303 -3.959 -8.325 1.00 0.22 H new ATOM 0 HA2 GLY A 14 3.309 -5.436 -9.586 1.00 21.24 H new ATOM 0 HA3 GLY A 14 4.218 -5.890 -8.159 1.00 21.24 H new ATOM 204 N LYS A 15 1.806 -6.044 -7.345 1.00 31.13 N ATOM 205 CA LYS A 15 0.529 -6.134 -6.683 1.00 21.31 C ATOM 206 C LYS A 15 0.769 -6.618 -5.270 1.00 61.32 C ATOM 207 O LYS A 15 1.682 -7.407 -5.040 1.00 43.52 O ATOM 208 CB LYS A 15 -0.366 -7.013 -7.541 1.00 24.33 C ATOM 209 CG LYS A 15 0.280 -8.364 -7.928 1.00 60.01 C ATOM 210 CD LYS A 15 -0.609 -9.275 -8.785 1.00 4.15 C ATOM 211 CE LYS A 15 -0.500 -8.881 -10.262 1.00 43.14 C ATOM 212 NZ LYS A 15 -1.755 -8.363 -10.832 1.00 35.22 N ATOM 0 H LYS A 15 2.253 -6.950 -7.485 1.00 31.13 H new ATOM 0 HA LYS A 15 0.009 -5.181 -6.581 1.00 21.31 H new ATOM 0 HB2 LYS A 15 -1.295 -7.205 -7.004 1.00 24.33 H new ATOM 0 HB3 LYS A 15 -0.629 -6.472 -8.450 1.00 24.33 H new ATOM 0 HG2 LYS A 15 1.205 -8.167 -8.470 1.00 60.01 H new ATOM 0 HG3 LYS A 15 0.551 -8.896 -7.016 1.00 60.01 H new ATOM 0 HD2 LYS A 15 -0.309 -10.315 -8.655 1.00 4.15 H new ATOM 0 HD3 LYS A 15 -1.645 -9.199 -8.456 1.00 4.15 H new ATOM 0 HE2 LYS A 15 0.277 -8.124 -10.370 1.00 43.14 H new ATOM 0 HE3 LYS A 15 -0.181 -9.750 -10.838 1.00 43.14 H new ATOM 0 HZ1 LYS A 15 -1.607 -8.117 -11.832 1.00 35.22 H new ATOM 0 HZ2 LYS A 15 -2.495 -9.090 -10.760 1.00 35.22 H new ATOM 0 HZ3 LYS A 15 -2.051 -7.515 -10.307 1.00 35.22 H new ATOM 226 N TRP A 16 0.021 -6.074 -4.322 1.00 43.51 N ATOM 227 CA TRP A 16 0.405 -6.002 -2.929 1.00 43.13 C ATOM 228 C TRP A 16 -0.820 -6.230 -2.025 1.00 40.23 C ATOM 229 O TRP A 16 -1.583 -5.304 -1.754 1.00 12.34 O ATOM 230 CB TRP A 16 1.104 -4.630 -2.773 1.00 1.13 C ATOM 231 CG TRP A 16 2.437 -4.570 -3.474 1.00 11.33 C ATOM 232 CD1 TRP A 16 2.826 -3.858 -4.574 1.00 44.30 C ATOM 233 CD2 TRP A 16 3.628 -5.304 -3.029 1.00 75.11 C ATOM 234 NE1 TRP A 16 4.106 -4.245 -4.867 1.00 74.01 N ATOM 235 CE2 TRP A 16 4.683 -5.072 -3.945 1.00 0.23 C ATOM 236 CE3 TRP A 16 3.955 -6.090 -1.906 1.00 54.14 C ATOM 237 CZ2 TRP A 16 5.993 -5.543 -3.744 1.00 41.23 C ATOM 238 CZ3 TRP A 16 5.264 -6.559 -1.686 1.00 73.01 C ATOM 239 CH2 TRP A 16 6.285 -6.273 -2.591 1.00 73.42 C ATOM 0 H TRP A 16 -0.893 -5.661 -4.510 1.00 43.51 H new ATOM 0 HA TRP A 16 1.097 -6.784 -2.617 1.00 43.13 H new ATOM 0 HB2 TRP A 16 0.455 -3.850 -3.170 1.00 1.13 H new ATOM 0 HB3 TRP A 16 1.246 -4.418 -1.713 1.00 1.13 H new ATOM 0 HD1 TRP A 16 2.236 -3.129 -5.110 1.00 44.30 H new ATOM 0 HE1 TRP A 16 4.592 -3.939 -5.710 1.00 74.01 H new ATOM 0 HE3 TRP A 16 3.181 -6.339 -1.195 1.00 54.14 H new ATOM 0 HZ2 TRP A 16 6.764 -5.342 -4.473 1.00 41.23 H new ATOM 0 HZ3 TRP A 16 5.480 -7.147 -0.806 1.00 73.01 H new ATOM 0 HH2 TRP A 16 7.292 -6.613 -2.402 1.00 73.42 H new ATOM 250 N ILE A 17 -1.042 -7.468 -1.567 1.00 54.12 N ATOM 251 CA ILE A 17 -2.101 -7.808 -0.615 1.00 12.54 C ATOM 252 C ILE A 17 -1.692 -7.295 0.765 1.00 72.02 C ATOM 253 O ILE A 17 -0.573 -7.558 1.213 1.00 4.42 O ATOM 254 CB ILE A 17 -2.402 -9.330 -0.600 1.00 3.21 C ATOM 255 CG1 ILE A 17 -3.821 -9.608 -0.065 1.00 72.03 C ATOM 256 CG2 ILE A 17 -1.448 -10.191 0.238 1.00 51.44 C ATOM 257 CD1 ILE A 17 -4.824 -9.656 -1.203 1.00 60.12 C ATOM 0 H ILE A 17 -0.482 -8.271 -1.853 1.00 54.12 H new ATOM 0 HA ILE A 17 -3.030 -7.327 -0.921 1.00 12.54 H new ATOM 0 HB ILE A 17 -2.278 -9.613 -1.645 1.00 3.21 H new ATOM 0 HG12 ILE A 17 -3.832 -10.554 0.476 1.00 72.03 H new ATOM 0 HG13 ILE A 17 -4.106 -8.831 0.645 1.00 72.03 H new ATOM 0 HG21 ILE A 17 -1.752 -11.236 0.177 1.00 51.44 H new ATOM 0 HG22 ILE A 17 -0.432 -10.085 -0.144 1.00 51.44 H new ATOM 0 HG23 ILE A 17 -1.481 -9.864 1.277 1.00 51.44 H new ATOM 0 HD11 ILE A 17 -5.819 -9.853 -0.803 1.00 60.12 H new ATOM 0 HD12 ILE A 17 -4.826 -8.700 -1.726 1.00 60.12 H new ATOM 0 HD13 ILE A 17 -4.548 -10.449 -1.898 1.00 60.12 H new ATOM 269 N VAL A 18 -2.595 -6.591 1.451 1.00 44.14 N ATOM 270 CA VAL A 18 -2.376 -6.087 2.817 1.00 70.43 C ATOM 271 C VAL A 18 -2.607 -7.184 3.875 1.00 42.43 C ATOM 272 O VAL A 18 -2.694 -6.925 5.074 1.00 43.20 O ATOM 273 CB VAL A 18 -3.228 -4.820 3.031 1.00 10.23 C ATOM 274 CG1 VAL A 18 -4.686 -5.029 3.439 1.00 51.51 C ATOM 275 CG2 VAL A 18 -2.572 -3.943 4.089 1.00 14.25 C ATOM 0 H VAL A 18 -3.511 -6.350 1.073 1.00 44.14 H new ATOM 0 HA VAL A 18 -1.331 -5.802 2.943 1.00 70.43 H new ATOM 0 HB VAL A 18 -3.263 -4.361 2.043 1.00 10.23 H new ATOM 0 HG11 VAL A 18 -5.173 -4.061 3.557 1.00 51.51 H new ATOM 0 HG12 VAL A 18 -5.201 -5.603 2.668 1.00 51.51 H new ATOM 0 HG13 VAL A 18 -4.725 -5.573 4.383 1.00 51.51 H new ATOM 0 HG21 VAL A 18 -3.173 -3.046 4.242 1.00 14.25 H new ATOM 0 HG22 VAL A 18 -2.500 -4.496 5.026 1.00 14.25 H new ATOM 0 HG23 VAL A 18 -1.573 -3.658 3.758 1.00 14.25 H new ATOM 285 N LYS A 19 -2.767 -8.428 3.431 1.00 25.35 N ATOM 286 CA LYS A 19 -3.199 -9.546 4.252 1.00 45.44 C ATOM 287 C LYS A 19 -2.031 -10.116 5.067 1.00 41.40 C ATOM 288 O LYS A 19 -1.797 -11.325 5.029 1.00 45.32 O ATOM 289 CB LYS A 19 -3.876 -10.591 3.346 1.00 63.33 C ATOM 290 CG LYS A 19 -4.672 -11.620 4.156 1.00 31.02 C ATOM 291 CD LYS A 19 -4.867 -12.962 3.438 1.00 62.20 C ATOM 292 CE LYS A 19 -3.820 -13.994 3.886 1.00 51.34 C ATOM 293 NZ LYS A 19 -2.436 -13.649 3.495 1.00 62.32 N ATOM 0 H LYS A 19 -2.593 -8.689 2.460 1.00 25.35 H new ATOM 0 HA LYS A 19 -3.931 -9.214 4.988 1.00 45.44 H new ATOM 0 HB2 LYS A 19 -4.542 -10.087 2.645 1.00 63.33 H new ATOM 0 HB3 LYS A 19 -3.118 -11.103 2.753 1.00 63.33 H new ATOM 0 HG2 LYS A 19 -4.161 -11.797 5.102 1.00 31.02 H new ATOM 0 HG3 LYS A 19 -5.650 -11.202 4.395 1.00 31.02 H new ATOM 0 HD2 LYS A 19 -5.867 -13.344 3.642 1.00 62.20 H new ATOM 0 HD3 LYS A 19 -4.796 -12.814 2.360 1.00 62.20 H new ATOM 0 HE2 LYS A 19 -3.866 -14.097 4.970 1.00 51.34 H new ATOM 0 HE3 LYS A 19 -4.076 -14.965 3.462 1.00 51.34 H new ATOM 0 HZ1 LYS A 19 -1.806 -14.448 3.708 1.00 62.32 H new ATOM 0 HZ2 LYS A 19 -2.404 -13.445 2.476 1.00 62.32 H new ATOM 0 HZ3 LYS A 19 -2.124 -12.811 4.026 1.00 62.32 H new ATOM 307 N GLU A 20 -1.276 -9.269 5.762 1.00 32.45 N ATOM 308 CA GLU A 20 -0.232 -9.687 6.693 1.00 33.25 C ATOM 309 C GLU A 20 0.127 -8.474 7.575 1.00 30.15 C ATOM 310 O GLU A 20 0.892 -7.612 7.138 1.00 24.31 O ATOM 311 CB GLU A 20 0.967 -10.261 5.913 1.00 45.52 C ATOM 312 CG GLU A 20 1.282 -11.721 6.263 1.00 32.24 C ATOM 313 CD GLU A 20 2.200 -11.829 7.473 1.00 22.13 C ATOM 314 OE1 GLU A 20 3.427 -11.624 7.326 1.00 32.12 O ATOM 315 OE2 GLU A 20 1.694 -12.073 8.597 1.00 63.11 O ATOM 0 H GLU A 20 -1.374 -8.256 5.693 1.00 32.45 H new ATOM 0 HA GLU A 20 -0.571 -10.490 7.348 1.00 33.25 H new ATOM 0 HB2 GLU A 20 0.764 -10.187 4.845 1.00 45.52 H new ATOM 0 HB3 GLU A 20 1.847 -9.650 6.113 1.00 45.52 H new ATOM 0 HG2 GLU A 20 0.353 -12.255 6.463 1.00 32.24 H new ATOM 0 HG3 GLU A 20 1.751 -12.207 5.407 1.00 32.24 H new ATOM 322 N PRO A 21 -0.440 -8.328 8.783 1.00 30.44 N ATOM 323 CA PRO A 21 -1.401 -9.235 9.387 1.00 23.44 C ATOM 324 C PRO A 21 -2.754 -9.193 8.673 1.00 52.53 C ATOM 325 O PRO A 21 -3.055 -8.268 7.913 1.00 63.04 O ATOM 326 CB PRO A 21 -1.544 -8.764 10.836 1.00 5.42 C ATOM 327 CG PRO A 21 -1.251 -7.279 10.742 1.00 21.41 C ATOM 328 CD PRO A 21 -0.158 -7.229 9.689 1.00 5.45 C ATOM 0 HA PRO A 21 -1.061 -10.268 9.317 1.00 23.44 H new ATOM 0 HB2 PRO A 21 -2.544 -8.954 11.225 1.00 5.42 H new ATOM 0 HB3 PRO A 21 -0.842 -9.273 11.497 1.00 5.42 H new ATOM 0 HG2 PRO A 21 -2.131 -6.709 10.442 1.00 21.41 H new ATOM 0 HG3 PRO A 21 -0.916 -6.870 11.695 1.00 21.41 H new ATOM 0 HD2 PRO A 21 -0.164 -6.275 9.162 1.00 5.45 H new ATOM 0 HD3 PRO A 21 0.828 -7.337 10.141 1.00 5.45 H new ATOM 336 N VAL A 22 -3.567 -10.211 8.929 1.00 13.24 N ATOM 337 CA VAL A 22 -4.948 -10.272 8.480 1.00 1.52 C ATOM 338 C VAL A 22 -5.779 -9.364 9.393 1.00 13.52 C ATOM 339 O VAL A 22 -5.334 -8.944 10.465 1.00 13.42 O ATOM 340 CB VAL A 22 -5.455 -11.736 8.453 1.00 44.43 C ATOM 341 CG1 VAL A 22 -6.639 -11.901 7.483 1.00 30.02 C ATOM 342 CG2 VAL A 22 -4.349 -12.704 8.000 1.00 22.23 C ATOM 0 H VAL A 22 -3.278 -11.030 9.464 1.00 13.24 H new ATOM 0 HA VAL A 22 -5.041 -9.913 7.455 1.00 1.52 H new ATOM 0 HB VAL A 22 -5.766 -11.970 9.471 1.00 44.43 H new ATOM 0 HG11 VAL A 22 -6.971 -12.939 7.487 1.00 30.02 H new ATOM 0 HG12 VAL A 22 -7.460 -11.256 7.798 1.00 30.02 H new ATOM 0 HG13 VAL A 22 -6.326 -11.625 6.476 1.00 30.02 H new ATOM 0 HG21 VAL A 22 -4.738 -13.722 7.992 1.00 22.23 H new ATOM 0 HG22 VAL A 22 -4.018 -12.434 6.997 1.00 22.23 H new ATOM 0 HG23 VAL A 22 -3.507 -12.642 8.689 1.00 22.23 H new ATOM 352 N LEU A 23 -6.997 -9.060 8.957 1.00 71.41 N ATOM 353 CA LEU A 23 -7.976 -8.318 9.734 1.00 70.02 C ATOM 354 C LEU A 23 -9.017 -9.288 10.279 1.00 23.34 C ATOM 355 O LEU A 23 -9.155 -10.428 9.807 1.00 34.04 O ATOM 356 CB LEU A 23 -8.647 -7.239 8.862 1.00 14.55 C ATOM 357 CG LEU A 23 -7.684 -6.168 8.313 1.00 74.21 C ATOM 358 CD1 LEU A 23 -8.430 -5.213 7.375 1.00 2.23 C ATOM 359 CD2 LEU A 23 -7.025 -5.370 9.441 1.00 22.24 C ATOM 0 H LEU A 23 -7.336 -9.330 8.033 1.00 71.41 H new ATOM 0 HA LEU A 23 -7.478 -7.818 10.565 1.00 70.02 H new ATOM 0 HB2 LEU A 23 -9.144 -7.726 8.023 1.00 14.55 H new ATOM 0 HB3 LEU A 23 -9.422 -6.746 9.449 1.00 14.55 H new ATOM 0 HG LEU A 23 -6.900 -6.685 7.760 1.00 74.21 H new ATOM 0 HD11 LEU A 23 -7.738 -4.462 6.995 1.00 2.23 H new ATOM 0 HD12 LEU A 23 -8.849 -5.776 6.541 1.00 2.23 H new ATOM 0 HD13 LEU A 23 -9.235 -4.721 7.921 1.00 2.23 H new ATOM 0 HD21 LEU A 23 -6.353 -4.625 9.015 1.00 22.24 H new ATOM 0 HD22 LEU A 23 -7.794 -4.871 10.031 1.00 22.24 H new ATOM 0 HD23 LEU A 23 -6.458 -6.046 10.082 1.00 22.24 H new ATOM 371 N GLN A 24 -9.782 -8.808 11.256 1.00 61.33 N ATOM 372 CA GLN A 24 -11.089 -9.352 11.581 1.00 61.24 C ATOM 373 C GLN A 24 -11.999 -9.240 10.358 1.00 45.50 C ATOM 374 O GLN A 24 -11.695 -8.548 9.382 1.00 31.45 O ATOM 375 CB GLN A 24 -11.713 -8.580 12.760 1.00 53.53 C ATOM 376 CG GLN A 24 -11.071 -8.904 14.114 1.00 4.11 C ATOM 377 CD GLN A 24 -11.218 -10.362 14.551 1.00 22.03 C ATOM 378 OE1 GLN A 24 -10.321 -10.915 15.182 1.00 54.20 O ATOM 379 NE2 GLN A 24 -12.314 -11.041 14.257 1.00 24.43 N ATOM 0 H GLN A 24 -9.506 -8.024 11.847 1.00 61.33 H new ATOM 0 HA GLN A 24 -10.978 -10.398 11.866 1.00 61.24 H new ATOM 0 HB2 GLN A 24 -11.623 -7.510 12.571 1.00 53.53 H new ATOM 0 HB3 GLN A 24 -12.778 -8.807 12.809 1.00 53.53 H new ATOM 0 HG2 GLN A 24 -10.010 -8.657 14.068 1.00 4.11 H new ATOM 0 HG3 GLN A 24 -11.515 -8.263 14.875 1.00 4.11 H new ATOM 0 HE21 GLN A 24 -13.066 -10.593 13.733 1.00 24.43 H new ATOM 0 HE22 GLN A 24 -12.407 -12.012 14.554 1.00 24.43 H new ATOM 388 N ASP A 25 -13.152 -9.899 10.456 1.00 65.42 N ATOM 389 CA ASP A 25 -14.293 -9.781 9.545 1.00 21.33 C ATOM 390 C ASP A 25 -13.912 -10.080 8.089 1.00 64.34 C ATOM 391 O ASP A 25 -14.570 -9.671 7.131 1.00 11.45 O ATOM 392 CB ASP A 25 -14.955 -8.412 9.738 1.00 70.13 C ATOM 393 CG ASP A 25 -15.690 -8.252 11.067 1.00 43.40 C ATOM 394 OD1 ASP A 25 -16.240 -9.244 11.598 1.00 32.02 O ATOM 395 OD2 ASP A 25 -15.819 -7.115 11.575 1.00 52.11 O ATOM 0 H ASP A 25 -13.326 -10.563 11.210 1.00 65.42 H new ATOM 0 HA ASP A 25 -15.029 -10.545 9.794 1.00 21.33 H new ATOM 0 HB2 ASP A 25 -14.191 -7.638 9.663 1.00 70.13 H new ATOM 0 HB3 ASP A 25 -15.660 -8.244 8.924 1.00 70.13 H new ATOM 400 N ASP A 26 -12.816 -10.823 7.944 1.00 11.31 N ATOM 401 CA ASP A 26 -12.262 -11.370 6.711 1.00 30.11 C ATOM 402 C ASP A 26 -11.972 -10.286 5.662 1.00 13.31 C ATOM 403 O ASP A 26 -12.027 -10.534 4.456 1.00 11.25 O ATOM 404 CB ASP A 26 -13.175 -12.507 6.224 1.00 44.30 C ATOM 405 CG ASP A 26 -12.524 -13.418 5.189 1.00 41.34 C ATOM 406 OD1 ASP A 26 -11.283 -13.586 5.203 1.00 1.35 O ATOM 407 OD2 ASP A 26 -13.272 -14.113 4.463 1.00 35.33 O ATOM 0 H ASP A 26 -12.248 -11.077 8.752 1.00 11.31 H new ATOM 0 HA ASP A 26 -11.278 -11.798 6.904 1.00 30.11 H new ATOM 0 HB2 ASP A 26 -13.481 -13.107 7.081 1.00 44.30 H new ATOM 0 HB3 ASP A 26 -14.080 -12.076 5.797 1.00 44.30 H new ATOM 412 N PHE A 27 -11.698 -9.057 6.115 1.00 30.03 N ATOM 413 CA PHE A 27 -11.340 -7.925 5.285 1.00 63.10 C ATOM 414 C PHE A 27 -9.912 -8.101 4.773 1.00 50.12 C ATOM 415 O PHE A 27 -8.938 -8.117 5.533 1.00 72.30 O ATOM 416 CB PHE A 27 -11.497 -6.602 6.053 1.00 24.44 C ATOM 417 CG PHE A 27 -12.929 -6.119 6.173 1.00 21.44 C ATOM 418 CD1 PHE A 27 -13.585 -5.607 5.043 1.00 5.53 C ATOM 419 CD2 PHE A 27 -13.606 -6.154 7.403 1.00 52.22 C ATOM 420 CE1 PHE A 27 -14.915 -5.166 5.124 1.00 1.45 C ATOM 421 CE2 PHE A 27 -14.948 -5.734 7.486 1.00 30.13 C ATOM 422 CZ PHE A 27 -15.609 -5.258 6.339 1.00 24.02 C ATOM 0 H PHE A 27 -11.723 -8.826 7.108 1.00 30.03 H new ATOM 0 HA PHE A 27 -12.018 -7.883 4.432 1.00 63.10 H new ATOM 0 HB2 PHE A 27 -11.082 -6.724 7.053 1.00 24.44 H new ATOM 0 HB3 PHE A 27 -10.907 -5.833 5.554 1.00 24.44 H new ATOM 0 HD1 PHE A 27 -13.061 -5.552 4.100 1.00 5.53 H new ATOM 0 HD2 PHE A 27 -13.096 -6.504 8.288 1.00 52.22 H new ATOM 0 HE1 PHE A 27 -15.403 -4.756 4.252 1.00 1.45 H new ATOM 0 HE2 PHE A 27 -15.470 -5.777 8.431 1.00 30.13 H new ATOM 0 HZ PHE A 27 -16.647 -4.965 6.394 1.00 24.02 H new ATOM 432 N VAL A 28 -9.789 -8.182 3.456 1.00 43.33 N ATOM 433 CA VAL A 28 -8.524 -8.104 2.731 1.00 34.12 C ATOM 434 C VAL A 28 -8.575 -6.971 1.715 1.00 15.42 C ATOM 435 O VAL A 28 -9.662 -6.492 1.371 1.00 63.44 O ATOM 436 CB VAL A 28 -8.173 -9.466 2.100 1.00 55.14 C ATOM 437 CG1 VAL A 28 -8.079 -10.531 3.194 1.00 32.14 C ATOM 438 CG2 VAL A 28 -9.165 -9.931 1.023 1.00 14.22 C ATOM 0 H VAL A 28 -10.592 -8.308 2.840 1.00 43.33 H new ATOM 0 HA VAL A 28 -7.718 -7.873 3.427 1.00 34.12 H new ATOM 0 HB VAL A 28 -7.214 -9.330 1.600 1.00 55.14 H new ATOM 0 HG11 VAL A 28 -7.831 -11.493 2.745 1.00 32.14 H new ATOM 0 HG12 VAL A 28 -7.303 -10.252 3.907 1.00 32.14 H new ATOM 0 HG13 VAL A 28 -9.036 -10.608 3.710 1.00 32.14 H new ATOM 0 HG21 VAL A 28 -8.848 -10.896 0.629 1.00 14.22 H new ATOM 0 HG22 VAL A 28 -10.159 -10.026 1.461 1.00 14.22 H new ATOM 0 HG23 VAL A 28 -9.193 -9.200 0.215 1.00 14.22 H new ATOM 448 N THR A 29 -7.399 -6.557 1.243 1.00 63.14 N ATOM 449 CA THR A 29 -7.259 -5.536 0.224 1.00 41.23 C ATOM 450 C THR A 29 -6.136 -5.916 -0.733 1.00 13.53 C ATOM 451 O THR A 29 -5.061 -6.336 -0.294 1.00 4.35 O ATOM 452 CB THR A 29 -6.961 -4.170 0.846 1.00 54.42 C ATOM 453 OG1 THR A 29 -7.799 -3.882 1.947 1.00 3.12 O ATOM 454 CG2 THR A 29 -7.069 -3.098 -0.243 1.00 15.33 C ATOM 0 H THR A 29 -6.508 -6.932 1.568 1.00 63.14 H new ATOM 0 HA THR A 29 -8.201 -5.467 -0.319 1.00 41.23 H new ATOM 0 HB THR A 29 -5.947 -4.183 1.246 1.00 54.42 H new ATOM 0 HG1 THR A 29 -8.577 -3.371 1.641 1.00 3.12 H new ATOM 0 HG21 THR A 29 -6.859 -2.119 0.188 1.00 15.33 H new ATOM 0 HG22 THR A 29 -6.349 -3.309 -1.034 1.00 15.33 H new ATOM 0 HG23 THR A 29 -8.076 -3.102 -0.659 1.00 15.33 H new ATOM 462 N CYS A 30 -6.363 -5.672 -2.024 1.00 2.21 N ATOM 463 CA CYS A 30 -5.428 -5.895 -3.112 1.00 62.41 C ATOM 464 C CYS A 30 -4.911 -4.540 -3.602 1.00 54.32 C ATOM 465 O CYS A 30 -5.401 -4.012 -4.608 1.00 0.54 O ATOM 466 CB CYS A 30 -6.151 -6.646 -4.239 1.00 62.43 C ATOM 467 SG CYS A 30 -6.968 -8.124 -3.593 1.00 22.35 S ATOM 0 H CYS A 30 -7.253 -5.294 -2.349 1.00 2.21 H new ATOM 0 HA CYS A 30 -4.580 -6.494 -2.780 1.00 62.41 H new ATOM 0 HB2 CYS A 30 -6.887 -5.992 -4.706 1.00 62.43 H new ATOM 0 HB3 CYS A 30 -5.437 -6.927 -5.013 1.00 62.43 H new ATOM 0 HG CYS A 30 -7.575 -8.743 -4.562 1.00 22.35 H new ATOM 473 N TYR A 31 -3.946 -3.941 -2.897 1.00 73.20 N ATOM 474 CA TYR A 31 -3.349 -2.693 -3.357 1.00 61.42 C ATOM 475 C TYR A 31 -2.639 -2.994 -4.667 1.00 3.23 C ATOM 476 O TYR A 31 -1.749 -3.851 -4.713 1.00 14.14 O ATOM 477 CB TYR A 31 -2.382 -2.083 -2.336 1.00 15.13 C ATOM 478 CG TYR A 31 -3.083 -1.427 -1.168 1.00 74.20 C ATOM 479 CD1 TYR A 31 -3.494 -2.196 -0.062 1.00 44.53 C ATOM 480 CD2 TYR A 31 -3.346 -0.044 -1.201 1.00 61.33 C ATOM 481 CE1 TYR A 31 -4.188 -1.588 1.000 1.00 51.30 C ATOM 482 CE2 TYR A 31 -4.017 0.574 -0.134 1.00 71.10 C ATOM 483 CZ TYR A 31 -4.456 -0.200 0.960 1.00 71.33 C ATOM 484 OH TYR A 31 -5.090 0.402 1.995 1.00 2.44 O ATOM 0 H TYR A 31 -3.569 -4.297 -2.019 1.00 73.20 H new ATOM 0 HA TYR A 31 -4.132 -1.947 -3.493 1.00 61.42 H new ATOM 0 HB2 TYR A 31 -1.720 -2.863 -1.962 1.00 15.13 H new ATOM 0 HB3 TYR A 31 -1.755 -1.345 -2.836 1.00 15.13 H new ATOM 0 HD1 TYR A 31 -3.276 -3.253 -0.029 1.00 44.53 H new ATOM 0 HD2 TYR A 31 -3.030 0.543 -2.050 1.00 61.33 H new ATOM 0 HE1 TYR A 31 -4.515 -2.179 1.843 1.00 51.30 H new ATOM 0 HE2 TYR A 31 -4.196 1.639 -0.151 1.00 71.10 H new ATOM 0 HH TYR A 31 -5.193 1.358 1.804 1.00 2.44 H new ATOM 494 N THR A 32 -3.048 -2.337 -5.745 1.00 74.11 N ATOM 495 CA THR A 32 -2.409 -2.499 -7.041 1.00 75.11 C ATOM 496 C THR A 32 -2.124 -1.112 -7.574 1.00 52.50 C ATOM 497 O THR A 32 -2.901 -0.456 -8.267 1.00 12.43 O ATOM 498 CB THR A 32 -3.244 -3.410 -7.957 1.00 52.41 C ATOM 499 OG1 THR A 32 -3.675 -4.560 -7.239 1.00 54.41 O ATOM 500 CG2 THR A 32 -2.392 -3.860 -9.149 1.00 35.05 C ATOM 0 H THR A 32 -3.828 -1.680 -5.744 1.00 74.11 H new ATOM 0 HA THR A 32 -1.455 -3.023 -6.973 1.00 75.11 H new ATOM 0 HB THR A 32 -4.113 -2.854 -8.309 1.00 52.41 H new ATOM 0 HG1 THR A 32 -4.207 -5.134 -7.829 1.00 54.41 H new ATOM 0 HG21 THR A 32 -2.985 -4.505 -9.797 1.00 35.05 H new ATOM 0 HG22 THR A 32 -2.062 -2.986 -9.711 1.00 35.05 H new ATOM 0 HG23 THR A 32 -1.522 -4.409 -8.788 1.00 35.05 H new ATOM 508 N PHE A 33 -0.965 -0.642 -7.141 1.00 15.41 N ATOM 509 CA PHE A 33 -0.269 0.489 -7.683 1.00 1.53 C ATOM 510 C PHE A 33 -0.114 0.296 -9.195 1.00 23.42 C ATOM 511 O PHE A 33 -0.074 -0.832 -9.690 1.00 53.21 O ATOM 512 CB PHE A 33 1.067 0.344 -6.974 1.00 14.41 C ATOM 513 CG PHE A 33 2.160 1.265 -7.215 1.00 63.21 C ATOM 514 CD1 PHE A 33 2.029 2.594 -7.633 1.00 33.44 C ATOM 515 CD2 PHE A 33 3.350 0.655 -6.899 1.00 74.40 C ATOM 516 CE1 PHE A 33 3.197 3.322 -7.890 1.00 75.24 C ATOM 517 CE2 PHE A 33 4.501 1.366 -7.300 1.00 75.44 C ATOM 518 CZ PHE A 33 4.438 2.687 -7.774 1.00 3.55 C ATOM 0 H PHE A 33 -0.467 -1.070 -6.360 1.00 15.41 H new ATOM 0 HA PHE A 33 -0.745 1.460 -7.546 1.00 1.53 H new ATOM 0 HB2 PHE A 33 0.861 0.371 -5.904 1.00 14.41 H new ATOM 0 HB3 PHE A 33 1.439 -0.655 -7.202 1.00 14.41 H new ATOM 0 HD1 PHE A 33 1.055 3.045 -7.754 1.00 33.44 H new ATOM 0 HD2 PHE A 33 3.400 -0.293 -6.385 1.00 74.40 H new ATOM 0 HE1 PHE A 33 3.140 4.362 -8.175 1.00 75.24 H new ATOM 0 HE2 PHE A 33 5.463 0.878 -7.241 1.00 75.44 H new ATOM 0 HZ PHE A 33 5.343 3.209 -8.047 1.00 3.55 H new ATOM 528 N ASN A 34 0.009 1.380 -9.947 1.00 52.51 N ATOM 529 CA ASN A 34 0.335 1.349 -11.366 1.00 2.11 C ATOM 530 C ASN A 34 1.678 2.029 -11.551 1.00 73.11 C ATOM 531 O ASN A 34 2.107 2.782 -10.683 1.00 62.12 O ATOM 532 CB ASN A 34 -0.722 2.062 -12.215 1.00 3.24 C ATOM 533 CG ASN A 34 -2.068 1.341 -12.330 1.00 24.04 C ATOM 534 OD1 ASN A 34 -2.616 1.253 -13.422 1.00 55.54 O ATOM 535 ND2 ASN A 34 -2.659 0.845 -11.253 1.00 3.35 N ATOM 0 H ASN A 34 -0.117 2.324 -9.581 1.00 52.51 H new ATOM 0 HA ASN A 34 0.367 0.311 -11.697 1.00 2.11 H new ATOM 0 HB2 ASN A 34 -0.894 3.052 -11.794 1.00 3.24 H new ATOM 0 HB3 ASN A 34 -0.320 2.208 -13.218 1.00 3.24 H new ATOM 0 HD21 ASN A 34 -3.569 0.391 -11.334 1.00 3.35 H new ATOM 0 HD22 ASN A 34 -2.204 0.917 -10.343 1.00 3.35 H new ATOM 542 N ALA A 35 2.314 1.818 -12.702 1.00 40.54 N ATOM 543 CA ALA A 35 3.729 2.131 -12.863 1.00 15.14 C ATOM 544 C ALA A 35 4.096 3.568 -12.554 1.00 42.34 C ATOM 545 O ALA A 35 5.105 3.787 -11.887 1.00 32.42 O ATOM 546 CB ALA A 35 4.205 1.720 -14.252 1.00 55.53 C ATOM 0 H ALA A 35 1.870 1.432 -13.535 1.00 40.54 H new ATOM 0 HA ALA A 35 4.254 1.544 -12.109 1.00 15.14 H new ATOM 0 HB1 ALA A 35 5.263 1.959 -14.360 1.00 55.53 H new ATOM 0 HB2 ALA A 35 4.060 0.648 -14.384 1.00 55.53 H new ATOM 0 HB3 ALA A 35 3.633 2.259 -15.007 1.00 55.53 H new ATOM 552 N ASP A 36 3.270 4.516 -12.991 1.00 24.11 N ATOM 553 CA ASP A 36 3.362 5.907 -12.563 1.00 54.42 C ATOM 554 C ASP A 36 2.142 6.636 -13.120 1.00 24.13 C ATOM 555 O ASP A 36 2.245 7.423 -14.064 1.00 52.14 O ATOM 556 CB ASP A 36 4.707 6.576 -12.939 1.00 23.30 C ATOM 557 CG ASP A 36 5.267 7.324 -11.733 1.00 42.55 C ATOM 558 OD1 ASP A 36 4.526 8.153 -11.155 1.00 52.11 O ATOM 559 OD2 ASP A 36 6.431 7.058 -11.354 1.00 72.23 O ATOM 0 H ASP A 36 2.516 4.339 -13.654 1.00 24.11 H new ATOM 0 HA ASP A 36 3.354 5.960 -11.474 1.00 54.42 H new ATOM 0 HB2 ASP A 36 5.419 5.821 -13.273 1.00 23.30 H new ATOM 0 HB3 ASP A 36 4.561 7.266 -13.770 1.00 23.30 H new ATOM 564 N LYS A 37 0.945 6.285 -12.640 1.00 71.32 N ATOM 565 CA LYS A 37 -0.261 7.068 -12.946 1.00 40.43 C ATOM 566 C LYS A 37 -1.380 6.999 -11.909 1.00 13.42 C ATOM 567 O LYS A 37 -2.166 7.938 -11.820 1.00 11.11 O ATOM 568 CB LYS A 37 -0.804 6.778 -14.349 1.00 3.51 C ATOM 569 CG LYS A 37 -1.230 5.339 -14.607 1.00 53.54 C ATOM 570 CD LYS A 37 -0.079 4.374 -14.928 1.00 41.13 C ATOM 571 CE LYS A 37 -0.565 3.131 -15.687 1.00 23.43 C ATOM 572 NZ LYS A 37 -0.857 3.407 -17.109 1.00 43.31 N ATOM 0 H LYS A 37 0.783 5.473 -12.044 1.00 71.32 H new ATOM 0 HA LYS A 37 0.097 8.097 -12.908 1.00 40.43 H new ATOM 0 HB2 LYS A 37 -1.660 7.429 -14.529 1.00 3.51 H new ATOM 0 HB3 LYS A 37 -0.039 7.048 -15.078 1.00 3.51 H new ATOM 0 HG2 LYS A 37 -1.761 4.969 -13.730 1.00 53.54 H new ATOM 0 HG3 LYS A 37 -1.937 5.327 -15.436 1.00 53.54 H new ATOM 0 HD2 LYS A 37 0.673 4.892 -15.524 1.00 41.13 H new ATOM 0 HD3 LYS A 37 0.405 4.066 -14.001 1.00 41.13 H new ATOM 0 HE2 LYS A 37 0.193 2.351 -15.621 1.00 23.43 H new ATOM 0 HE3 LYS A 37 -1.463 2.744 -15.205 1.00 23.43 H new ATOM 0 HZ1 LYS A 37 -1.116 2.521 -17.589 1.00 43.31 H new ATOM 0 HZ2 LYS A 37 -1.646 4.081 -17.177 1.00 43.31 H new ATOM 0 HZ3 LYS A 37 -0.015 3.814 -17.564 1.00 43.31 H new ATOM 586 N THR A 38 -1.532 5.900 -11.170 1.00 23.04 N ATOM 587 CA THR A 38 -2.743 5.640 -10.398 1.00 0.53 C ATOM 588 C THR A 38 -2.476 4.453 -9.463 1.00 52.52 C ATOM 589 O THR A 38 -1.414 3.828 -9.509 1.00 35.14 O ATOM 590 CB THR A 38 -3.936 5.441 -11.379 1.00 3.41 C ATOM 591 OG1 THR A 38 -5.218 5.688 -10.841 1.00 12.23 O ATOM 592 CG2 THR A 38 -3.958 4.070 -12.043 1.00 51.10 C ATOM 0 H THR A 38 -0.823 5.171 -11.091 1.00 23.04 H new ATOM 0 HA THR A 38 -3.019 6.480 -9.760 1.00 0.53 H new ATOM 0 HB THR A 38 -3.734 6.213 -12.122 1.00 3.41 H new ATOM 0 HG1 THR A 38 -5.140 5.875 -9.882 1.00 12.23 H new ATOM 0 HG21 THR A 38 -4.816 4.004 -12.712 1.00 51.10 H new ATOM 0 HG22 THR A 38 -3.041 3.927 -12.614 1.00 51.10 H new ATOM 0 HG23 THR A 38 -4.033 3.297 -11.279 1.00 51.10 H new ATOM 600 N TYR A 39 -3.439 4.122 -8.616 1.00 32.41 N ATOM 601 CA TYR A 39 -3.446 2.906 -7.806 1.00 53.51 C ATOM 602 C TYR A 39 -4.868 2.366 -7.778 1.00 41.13 C ATOM 603 O TYR A 39 -5.791 3.110 -8.084 1.00 15.55 O ATOM 604 CB TYR A 39 -2.972 3.212 -6.379 1.00 73.24 C ATOM 605 CG TYR A 39 -3.994 3.959 -5.550 1.00 75.23 C ATOM 606 CD1 TYR A 39 -4.956 3.282 -4.778 1.00 23.04 C ATOM 607 CD2 TYR A 39 -3.964 5.356 -5.541 1.00 62.33 C ATOM 608 CE1 TYR A 39 -5.902 4.010 -4.037 1.00 71.34 C ATOM 609 CE2 TYR A 39 -4.848 6.082 -4.732 1.00 74.12 C ATOM 610 CZ TYR A 39 -5.857 5.419 -4.010 1.00 32.15 C ATOM 611 OH TYR A 39 -6.778 6.139 -3.314 1.00 74.11 O ATOM 0 H TYR A 39 -4.262 4.706 -8.467 1.00 32.41 H new ATOM 0 HA TYR A 39 -2.769 2.168 -8.236 1.00 53.51 H new ATOM 0 HB2 TYR A 39 -2.724 2.276 -5.879 1.00 73.24 H new ATOM 0 HB3 TYR A 39 -2.055 3.800 -6.427 1.00 73.24 H new ATOM 0 HD1 TYR A 39 -4.967 2.202 -4.755 1.00 23.04 H new ATOM 0 HD2 TYR A 39 -3.254 5.880 -6.163 1.00 62.33 H new ATOM 0 HE1 TYR A 39 -6.669 3.487 -3.485 1.00 71.34 H new ATOM 0 HE2 TYR A 39 -4.754 7.156 -4.662 1.00 74.12 H new ATOM 0 HH TYR A 39 -6.749 7.075 -3.604 1.00 74.11 H new ATOM 621 N GLU A 40 -5.044 1.125 -7.341 1.00 71.24 N ATOM 622 CA GLU A 40 -6.312 0.457 -7.103 1.00 34.45 C ATOM 623 C GLU A 40 -6.355 0.069 -5.630 1.00 3.42 C ATOM 624 O GLU A 40 -5.327 -0.353 -5.089 1.00 20.01 O ATOM 625 CB GLU A 40 -6.423 -0.816 -7.952 1.00 75.12 C ATOM 626 CG GLU A 40 -6.550 -0.554 -9.453 1.00 74.23 C ATOM 627 CD GLU A 40 -7.065 -1.812 -10.158 1.00 75.32 C ATOM 628 OE1 GLU A 40 -6.280 -2.705 -10.545 1.00 63.34 O ATOM 629 OE2 GLU A 40 -8.300 -1.940 -10.307 1.00 60.01 O ATOM 0 H GLU A 40 -4.250 0.521 -7.130 1.00 71.24 H new ATOM 0 HA GLU A 40 -7.134 1.122 -7.368 1.00 34.45 H new ATOM 0 HB2 GLU A 40 -5.544 -1.436 -7.775 1.00 75.12 H new ATOM 0 HB3 GLU A 40 -7.289 -1.388 -7.619 1.00 75.12 H new ATOM 0 HG2 GLU A 40 -7.232 0.278 -9.630 1.00 74.23 H new ATOM 0 HG3 GLU A 40 -5.583 -0.266 -9.864 1.00 74.23 H new ATOM 636 N VAL A 41 -7.524 0.187 -5.000 1.00 41.12 N ATOM 637 CA VAL A 41 -7.805 -0.324 -3.662 1.00 62.02 C ATOM 638 C VAL A 41 -9.268 -0.786 -3.653 1.00 42.34 C ATOM 639 O VAL A 41 -10.051 -0.344 -4.492 1.00 60.30 O ATOM 640 CB VAL A 41 -7.469 0.765 -2.617 1.00 41.40 C ATOM 641 CG1 VAL A 41 -8.505 1.890 -2.515 1.00 40.24 C ATOM 642 CG2 VAL A 41 -7.241 0.170 -1.229 1.00 74.21 C ATOM 0 H VAL A 41 -8.326 0.656 -5.422 1.00 41.12 H new ATOM 0 HA VAL A 41 -7.187 -1.181 -3.395 1.00 62.02 H new ATOM 0 HB VAL A 41 -6.547 1.211 -2.988 1.00 41.40 H new ATOM 0 HG11 VAL A 41 -8.189 2.608 -1.759 1.00 40.24 H new ATOM 0 HG12 VAL A 41 -8.593 2.392 -3.478 1.00 40.24 H new ATOM 0 HG13 VAL A 41 -9.471 1.470 -2.235 1.00 40.24 H new ATOM 0 HG21 VAL A 41 -7.008 0.968 -0.525 1.00 74.21 H new ATOM 0 HG22 VAL A 41 -8.142 -0.349 -0.903 1.00 74.21 H new ATOM 0 HG23 VAL A 41 -6.410 -0.534 -1.267 1.00 74.21 H new ATOM 652 N TYR A 42 -9.640 -1.684 -2.744 1.00 60.42 N ATOM 653 CA TYR A 42 -10.933 -2.359 -2.696 1.00 0.31 C ATOM 654 C TYR A 42 -10.890 -3.363 -1.548 1.00 75.33 C ATOM 655 O TYR A 42 -9.962 -4.174 -1.489 1.00 63.24 O ATOM 656 CB TYR A 42 -11.200 -3.067 -4.032 1.00 71.12 C ATOM 657 CG TYR A 42 -12.125 -4.250 -3.914 1.00 61.24 C ATOM 658 CD1 TYR A 42 -11.537 -5.490 -3.622 1.00 14.42 C ATOM 659 CD2 TYR A 42 -13.521 -4.120 -4.001 1.00 62.34 C ATOM 660 CE1 TYR A 42 -12.341 -6.615 -3.388 1.00 34.24 C ATOM 661 CE2 TYR A 42 -14.331 -5.250 -3.805 1.00 55.40 C ATOM 662 CZ TYR A 42 -13.745 -6.493 -3.471 1.00 61.13 C ATOM 663 OH TYR A 42 -14.525 -7.582 -3.267 1.00 23.14 O ATOM 0 H TYR A 42 -9.020 -1.973 -1.987 1.00 60.42 H new ATOM 0 HA TYR A 42 -11.739 -1.644 -2.532 1.00 0.31 H new ATOM 0 HB2 TYR A 42 -11.627 -2.351 -4.734 1.00 71.12 H new ATOM 0 HB3 TYR A 42 -10.251 -3.399 -4.454 1.00 71.12 H new ATOM 0 HD1 TYR A 42 -10.462 -5.578 -3.577 1.00 14.42 H new ATOM 0 HD2 TYR A 42 -13.967 -3.160 -4.217 1.00 62.34 H new ATOM 0 HE1 TYR A 42 -11.890 -7.566 -3.146 1.00 34.24 H new ATOM 0 HE2 TYR A 42 -15.403 -5.170 -3.909 1.00 55.40 H new ATOM 0 HH TYR A 42 -14.694 -7.688 -2.308 1.00 23.14 H new ATOM 673 N THR A 43 -11.878 -3.330 -0.659 1.00 40.12 N ATOM 674 CA THR A 43 -11.796 -4.019 0.616 1.00 41.21 C ATOM 675 C THR A 43 -13.149 -4.662 0.953 1.00 4.53 C ATOM 676 O THR A 43 -14.213 -4.086 0.698 1.00 31.11 O ATOM 677 CB THR A 43 -11.271 -3.004 1.655 1.00 53.43 C ATOM 678 OG1 THR A 43 -10.050 -2.434 1.204 1.00 23.04 O ATOM 679 CG2 THR A 43 -10.983 -3.621 3.019 1.00 74.42 C ATOM 0 H THR A 43 -12.753 -2.826 -0.805 1.00 40.12 H new ATOM 0 HA THR A 43 -11.096 -4.854 0.600 1.00 41.21 H new ATOM 0 HB THR A 43 -12.064 -2.264 1.762 1.00 53.43 H new ATOM 0 HG1 THR A 43 -9.724 -1.791 1.868 1.00 23.04 H new ATOM 0 HG21 THR A 43 -10.618 -2.850 3.697 1.00 74.42 H new ATOM 0 HG22 THR A 43 -11.898 -4.056 3.422 1.00 74.42 H new ATOM 0 HG23 THR A 43 -10.227 -4.399 2.914 1.00 74.42 H new ATOM 687 N GLY A 44 -13.111 -5.870 1.529 1.00 13.34 N ATOM 688 CA GLY A 44 -14.306 -6.640 1.872 1.00 12.45 C ATOM 689 C GLY A 44 -15.149 -6.866 0.623 1.00 34.31 C ATOM 690 O GLY A 44 -14.600 -7.195 -0.432 1.00 54.32 O ATOM 0 H GLY A 44 -12.240 -6.342 1.771 1.00 13.34 H new ATOM 0 HA2 GLY A 44 -14.020 -7.598 2.308 1.00 12.45 H new ATOM 0 HA3 GLY A 44 -14.889 -6.109 2.624 1.00 12.45 H new ATOM 694 N SER A 45 -16.466 -6.660 0.724 1.00 40.30 N ATOM 695 CA SER A 45 -17.384 -6.822 -0.407 1.00 0.54 C ATOM 696 C SER A 45 -17.401 -8.294 -0.840 1.00 20.42 C ATOM 697 O SER A 45 -16.883 -8.638 -1.900 1.00 2.33 O ATOM 698 CB SER A 45 -17.063 -5.792 -1.501 1.00 61.34 C ATOM 699 OG SER A 45 -16.832 -4.510 -0.926 1.00 41.40 O ATOM 0 H SER A 45 -16.924 -6.377 1.590 1.00 40.30 H new ATOM 0 HA SER A 45 -18.414 -6.599 -0.129 1.00 0.54 H new ATOM 0 HB2 SER A 45 -16.184 -6.110 -2.061 1.00 61.34 H new ATOM 0 HB3 SER A 45 -17.889 -5.736 -2.210 1.00 61.34 H new ATOM 0 HG SER A 45 -15.943 -4.492 -0.513 1.00 41.40 H new ATOM 705 N PRO A 46 -18.020 -9.179 -0.028 1.00 73.03 N ATOM 706 CA PRO A 46 -18.031 -10.623 -0.269 1.00 13.55 C ATOM 707 C PRO A 46 -18.763 -10.994 -1.557 1.00 44.14 C ATOM 708 O PRO A 46 -18.547 -12.075 -2.106 1.00 54.34 O ATOM 709 CB PRO A 46 -18.732 -11.237 0.949 1.00 60.20 C ATOM 710 CG PRO A 46 -19.626 -10.119 1.473 1.00 71.00 C ATOM 711 CD PRO A 46 -18.872 -8.846 1.109 1.00 62.40 C ATOM 0 HA PRO A 46 -17.015 -10.998 -0.395 1.00 13.55 H new ATOM 0 HB2 PRO A 46 -19.315 -12.115 0.672 1.00 60.20 H new ATOM 0 HB3 PRO A 46 -18.012 -11.557 1.703 1.00 60.20 H new ATOM 0 HG2 PRO A 46 -20.612 -10.146 1.010 1.00 71.00 H new ATOM 0 HG3 PRO A 46 -19.777 -10.200 2.549 1.00 71.00 H new ATOM 0 HD2 PRO A 46 -19.565 -8.045 0.853 1.00 62.40 H new ATOM 0 HD3 PRO A 46 -18.275 -8.494 1.951 1.00 62.40 H new ATOM 719 N LEU A 47 -19.617 -10.078 -2.014 1.00 42.23 N ATOM 720 CA LEU A 47 -20.448 -10.176 -3.192 1.00 75.13 C ATOM 721 C LEU A 47 -19.599 -10.490 -4.415 1.00 13.44 C ATOM 722 O LEU A 47 -19.858 -11.478 -5.106 1.00 62.22 O ATOM 723 CB LEU A 47 -21.317 -8.933 -3.439 1.00 61.32 C ATOM 724 CG LEU A 47 -20.824 -7.608 -2.841 1.00 75.22 C ATOM 725 CD1 LEU A 47 -21.317 -6.388 -3.620 1.00 51.31 C ATOM 726 CD2 LEU A 47 -21.355 -7.584 -1.402 1.00 13.31 C ATOM 0 H LEU A 47 -19.748 -9.190 -1.530 1.00 42.23 H new ATOM 0 HA LEU A 47 -21.142 -10.996 -3.009 1.00 75.13 H new ATOM 0 HB2 LEU A 47 -21.421 -8.801 -4.516 1.00 61.32 H new ATOM 0 HB3 LEU A 47 -22.313 -9.133 -3.045 1.00 61.32 H new ATOM 0 HG LEU A 47 -19.736 -7.553 -2.884 1.00 75.22 H new ATOM 0 HD11 LEU A 47 -20.938 -5.480 -3.152 1.00 51.31 H new ATOM 0 HD12 LEU A 47 -20.959 -6.443 -4.648 1.00 51.31 H new ATOM 0 HD13 LEU A 47 -22.407 -6.370 -3.616 1.00 51.31 H new ATOM 0 HD21 LEU A 47 -21.040 -6.662 -0.913 1.00 13.31 H new ATOM 0 HD22 LEU A 47 -22.444 -7.634 -1.415 1.00 13.31 H new ATOM 0 HD23 LEU A 47 -20.959 -8.439 -0.854 1.00 13.31 H new ATOM 738 N SER A 48 -18.642 -9.602 -4.694 1.00 51.12 N ATOM 739 CA SER A 48 -17.732 -9.663 -5.823 1.00 34.15 C ATOM 740 C SER A 48 -16.804 -8.443 -5.814 1.00 0.53 C ATOM 741 O SER A 48 -17.096 -7.448 -5.136 1.00 62.41 O ATOM 742 CB SER A 48 -18.526 -9.675 -7.130 1.00 14.31 C ATOM 743 OG SER A 48 -19.636 -8.786 -7.155 1.00 20.35 O ATOM 0 H SER A 48 -18.479 -8.785 -4.106 1.00 51.12 H new ATOM 0 HA SER A 48 -17.139 -10.574 -5.745 1.00 34.15 H new ATOM 0 HB2 SER A 48 -17.855 -9.421 -7.950 1.00 14.31 H new ATOM 0 HB3 SER A 48 -18.884 -10.688 -7.313 1.00 14.31 H new ATOM 0 HG SER A 48 -20.088 -8.852 -8.022 1.00 20.35 H new ATOM 749 N ASN A 49 -15.755 -8.462 -6.646 1.00 73.21 N ATOM 750 CA ASN A 49 -14.824 -7.355 -6.847 1.00 32.23 C ATOM 751 C ASN A 49 -15.088 -6.664 -8.190 1.00 64.10 C ATOM 752 O ASN A 49 -14.234 -6.561 -9.078 1.00 11.34 O ATOM 753 CB ASN A 49 -13.374 -7.786 -6.592 1.00 21.11 C ATOM 754 CG ASN A 49 -12.814 -8.895 -7.467 1.00 24.13 C ATOM 755 OD1 ASN A 49 -12.645 -10.019 -7.000 1.00 72.34 O ATOM 756 ND2 ASN A 49 -12.460 -8.621 -8.705 1.00 63.22 N ATOM 0 H ASN A 49 -15.527 -9.278 -7.215 1.00 73.21 H new ATOM 0 HA ASN A 49 -15.002 -6.584 -6.097 1.00 32.23 H new ATOM 0 HB2 ASN A 49 -12.736 -6.910 -6.708 1.00 21.11 H new ATOM 0 HB3 ASN A 49 -13.294 -8.103 -5.552 1.00 21.11 H new ATOM 0 HD21 ASN A 49 -12.040 -9.345 -9.288 1.00 63.22 H new ATOM 0 HD22 ASN A 49 -12.605 -7.684 -9.082 1.00 63.22 H new ATOM 763 N GLY A 50 -16.321 -6.187 -8.322 1.00 52.52 N ATOM 764 CA GLY A 50 -16.883 -5.670 -9.563 1.00 74.00 C ATOM 765 C GLY A 50 -16.711 -4.164 -9.753 1.00 2.53 C ATOM 766 O GLY A 50 -16.733 -3.693 -10.891 1.00 34.44 O ATOM 0 H GLY A 50 -16.978 -6.149 -7.542 1.00 52.52 H new ATOM 0 HA2 GLY A 50 -16.416 -6.186 -10.402 1.00 74.00 H new ATOM 0 HA3 GLY A 50 -17.946 -5.909 -9.594 1.00 74.00 H new ATOM 770 N VAL A 51 -16.540 -3.396 -8.676 1.00 41.33 N ATOM 771 CA VAL A 51 -16.339 -1.949 -8.703 1.00 75.24 C ATOM 772 C VAL A 51 -15.284 -1.607 -7.652 1.00 35.05 C ATOM 773 O VAL A 51 -15.631 -1.275 -6.513 1.00 11.14 O ATOM 774 CB VAL A 51 -17.651 -1.153 -8.504 1.00 3.35 C ATOM 775 CG1 VAL A 51 -17.380 0.353 -8.670 1.00 43.12 C ATOM 776 CG2 VAL A 51 -18.728 -1.561 -9.513 1.00 74.11 C ATOM 0 H VAL A 51 -16.538 -3.778 -7.730 1.00 41.33 H new ATOM 0 HA VAL A 51 -15.990 -1.651 -9.691 1.00 75.24 H new ATOM 0 HB VAL A 51 -18.011 -1.375 -7.499 1.00 3.35 H new ATOM 0 HG11 VAL A 51 -18.308 0.907 -8.529 1.00 43.12 H new ATOM 0 HG12 VAL A 51 -16.648 0.675 -7.929 1.00 43.12 H new ATOM 0 HG13 VAL A 51 -16.992 0.545 -9.670 1.00 43.12 H new ATOM 0 HG21 VAL A 51 -19.632 -0.977 -9.337 1.00 74.11 H new ATOM 0 HG22 VAL A 51 -18.368 -1.375 -10.525 1.00 74.11 H new ATOM 0 HG23 VAL A 51 -18.953 -2.621 -9.397 1.00 74.11 H new ATOM 786 N PRO A 52 -13.990 -1.685 -7.989 1.00 73.22 N ATOM 787 CA PRO A 52 -12.954 -1.256 -7.071 1.00 71.14 C ATOM 788 C PRO A 52 -12.949 0.265 -6.952 1.00 15.54 C ATOM 789 O PRO A 52 -13.734 0.977 -7.590 1.00 54.10 O ATOM 790 CB PRO A 52 -11.652 -1.818 -7.640 1.00 43.21 C ATOM 791 CG PRO A 52 -11.920 -1.910 -9.146 1.00 32.33 C ATOM 792 CD PRO A 52 -13.427 -2.150 -9.248 1.00 14.31 C ATOM 0 HA PRO A 52 -13.108 -1.621 -6.055 1.00 71.14 H new ATOM 0 HB2 PRO A 52 -10.806 -1.165 -7.423 1.00 43.21 H new ATOM 0 HB3 PRO A 52 -11.418 -2.794 -7.215 1.00 43.21 H new ATOM 0 HG2 PRO A 52 -11.628 -0.994 -9.659 1.00 32.33 H new ATOM 0 HG3 PRO A 52 -11.356 -2.724 -9.601 1.00 32.33 H new ATOM 0 HD2 PRO A 52 -13.853 -1.606 -10.091 1.00 14.31 H new ATOM 0 HD3 PRO A 52 -13.645 -3.206 -9.407 1.00 14.31 H new ATOM 800 N PHE A 53 -12.028 0.780 -6.152 1.00 34.35 N ATOM 801 CA PHE A 53 -11.663 2.177 -6.133 1.00 51.24 C ATOM 802 C PHE A 53 -10.327 2.324 -6.862 1.00 11.24 C ATOM 803 O PHE A 53 -9.513 1.399 -6.887 1.00 2.51 O ATOM 804 CB PHE A 53 -11.561 2.618 -4.672 1.00 31.31 C ATOM 805 CG PHE A 53 -11.774 4.097 -4.462 1.00 64.24 C ATOM 806 CD1 PHE A 53 -13.088 4.596 -4.416 1.00 22.03 C ATOM 807 CD2 PHE A 53 -10.682 4.965 -4.272 1.00 72.22 C ATOM 808 CE1 PHE A 53 -13.315 5.955 -4.156 1.00 64.11 C ATOM 809 CE2 PHE A 53 -10.913 6.322 -4.001 1.00 51.11 C ATOM 810 CZ PHE A 53 -12.229 6.815 -3.931 1.00 32.44 C ATOM 0 H PHE A 53 -11.503 0.218 -5.482 1.00 34.35 H new ATOM 0 HA PHE A 53 -12.402 2.803 -6.633 1.00 51.24 H new ATOM 0 HB2 PHE A 53 -12.297 2.068 -4.085 1.00 31.31 H new ATOM 0 HB3 PHE A 53 -10.578 2.345 -4.288 1.00 31.31 H new ATOM 0 HD1 PHE A 53 -13.923 3.932 -4.581 1.00 22.03 H new ATOM 0 HD2 PHE A 53 -9.672 4.588 -4.335 1.00 72.22 H new ATOM 0 HE1 PHE A 53 -14.324 6.339 -4.129 1.00 64.11 H new ATOM 0 HE2 PHE A 53 -10.079 6.990 -3.846 1.00 51.11 H new ATOM 0 HZ PHE A 53 -12.404 7.856 -3.704 1.00 32.44 H new ATOM 820 N ARG A 54 -10.051 3.511 -7.397 1.00 41.34 N ATOM 821 CA ARG A 54 -8.702 3.913 -7.785 1.00 22.11 C ATOM 822 C ARG A 54 -8.504 5.379 -7.464 1.00 71.20 C ATOM 823 O ARG A 54 -9.488 6.114 -7.357 1.00 53.23 O ATOM 824 CB ARG A 54 -8.386 3.626 -9.268 1.00 54.53 C ATOM 825 CG ARG A 54 -9.393 4.146 -10.295 1.00 62.34 C ATOM 826 CD ARG A 54 -10.250 2.994 -10.806 1.00 14.32 C ATOM 827 NE ARG A 54 -11.135 3.472 -11.871 1.00 13.45 N ATOM 828 CZ ARG A 54 -11.390 2.864 -13.028 1.00 34.11 C ATOM 829 NH1 ARG A 54 -10.955 1.630 -13.271 1.00 15.44 N ATOM 830 NH2 ARG A 54 -12.054 3.549 -13.947 1.00 42.10 N ATOM 0 H ARG A 54 -10.759 4.223 -7.574 1.00 41.34 H new ATOM 0 HA ARG A 54 -8.001 3.309 -7.209 1.00 22.11 H new ATOM 0 HB2 ARG A 54 -7.411 4.056 -9.498 1.00 54.53 H new ATOM 0 HB3 ARG A 54 -8.296 2.547 -9.395 1.00 54.53 H new ATOM 0 HG2 ARG A 54 -10.026 4.910 -9.843 1.00 62.34 H new ATOM 0 HG3 ARG A 54 -8.868 4.618 -11.126 1.00 62.34 H new ATOM 0 HD2 ARG A 54 -9.613 2.193 -11.181 1.00 14.32 H new ATOM 0 HD3 ARG A 54 -10.840 2.577 -9.990 1.00 14.32 H new ATOM 0 HE ARG A 54 -11.605 4.363 -11.710 1.00 13.45 H new ATOM 0 HH11 ARG A 54 -10.415 1.131 -12.564 1.00 15.44 H new ATOM 0 HH12 ARG A 54 -11.162 1.183 -14.164 1.00 15.44 H new ATOM 0 HH21 ARG A 54 -12.350 4.506 -13.755 1.00 42.10 H new ATOM 0 HH22 ARG A 54 -12.269 3.119 -14.847 1.00 42.10 H new ATOM 844 N GLY A 55 -7.252 5.801 -7.374 1.00 74.32 N ATOM 845 CA GLY A 55 -6.872 7.168 -7.085 1.00 61.41 C ATOM 846 C GLY A 55 -5.445 7.413 -7.555 1.00 62.20 C ATOM 847 O GLY A 55 -4.964 6.721 -8.456 1.00 3.11 O ATOM 0 H GLY A 55 -6.452 5.181 -7.504 1.00 74.32 H new ATOM 0 HA2 GLY A 55 -7.553 7.858 -7.583 1.00 61.41 H new ATOM 0 HA3 GLY A 55 -6.951 7.359 -6.015 1.00 61.41 H new ATOM 851 N THR A 56 -4.743 8.358 -6.942 1.00 13.13 N ATOM 852 CA THR A 56 -3.349 8.672 -7.224 1.00 24.02 C ATOM 853 C THR A 56 -2.544 8.427 -5.941 1.00 62.12 C ATOM 854 O THR A 56 -2.927 8.893 -4.866 1.00 52.20 O ATOM 855 CB THR A 56 -3.195 10.124 -7.742 1.00 11.13 C ATOM 856 OG1 THR A 56 -4.432 10.836 -7.820 1.00 44.40 O ATOM 857 CG2 THR A 56 -2.588 10.127 -9.144 1.00 64.04 C ATOM 0 H THR A 56 -5.142 8.946 -6.211 1.00 13.13 H new ATOM 0 HA THR A 56 -2.969 8.030 -8.019 1.00 24.02 H new ATOM 0 HB THR A 56 -2.550 10.621 -7.017 1.00 11.13 H new ATOM 0 HG1 THR A 56 -4.267 11.743 -8.151 1.00 44.40 H new ATOM 0 HG21 THR A 56 -2.486 11.154 -9.494 1.00 64.04 H new ATOM 0 HG22 THR A 56 -1.606 9.654 -9.117 1.00 64.04 H new ATOM 0 HG23 THR A 56 -3.238 9.575 -9.823 1.00 64.04 H new ATOM 865 N TYR A 57 -1.467 7.641 -6.025 1.00 34.14 N ATOM 866 CA TYR A 57 -0.424 7.712 -5.021 1.00 71.11 C ATOM 867 C TYR A 57 0.324 9.018 -5.277 1.00 43.51 C ATOM 868 O TYR A 57 0.215 9.625 -6.348 1.00 2.12 O ATOM 869 CB TYR A 57 0.555 6.505 -5.083 1.00 11.22 C ATOM 870 CG TYR A 57 1.708 6.673 -6.075 1.00 64.32 C ATOM 871 CD1 TYR A 57 1.481 6.982 -7.439 1.00 23.15 C ATOM 872 CD2 TYR A 57 3.032 6.639 -5.594 1.00 35.12 C ATOM 873 CE1 TYR A 57 2.556 7.311 -8.290 1.00 13.51 C ATOM 874 CE2 TYR A 57 4.103 6.940 -6.449 1.00 2.20 C ATOM 875 CZ TYR A 57 3.878 7.296 -7.793 1.00 44.24 C ATOM 876 OH TYR A 57 4.945 7.614 -8.579 1.00 14.43 O ATOM 0 H TYR A 57 -1.303 6.962 -6.768 1.00 34.14 H new ATOM 0 HA TYR A 57 -0.866 7.678 -4.025 1.00 71.11 H new ATOM 0 HB2 TYR A 57 0.969 6.338 -4.089 1.00 11.22 H new ATOM 0 HB3 TYR A 57 -0.008 5.610 -5.348 1.00 11.22 H new ATOM 0 HD1 TYR A 57 0.475 6.965 -7.831 1.00 23.15 H new ATOM 0 HD2 TYR A 57 3.223 6.380 -4.563 1.00 35.12 H new ATOM 0 HE1 TYR A 57 2.369 7.574 -9.321 1.00 13.51 H new ATOM 0 HE2 TYR A 57 5.114 6.898 -6.071 1.00 2.20 H new ATOM 0 HH TYR A 57 4.629 8.045 -9.400 1.00 14.43 H new ATOM 886 N ILE A 58 1.119 9.398 -4.292 1.00 34.24 N ATOM 887 CA ILE A 58 2.155 10.438 -4.327 1.00 1.23 C ATOM 888 C ILE A 58 3.175 9.982 -3.260 1.00 63.23 C ATOM 889 O ILE A 58 2.833 9.142 -2.420 1.00 72.34 O ATOM 890 CB ILE A 58 1.585 11.869 -4.037 1.00 43.32 C ATOM 891 CG1 ILE A 58 0.171 12.155 -4.607 1.00 34.22 C ATOM 892 CG2 ILE A 58 2.538 12.962 -4.548 1.00 11.50 C ATOM 893 CD1 ILE A 58 -0.412 13.527 -4.247 1.00 52.40 C ATOM 0 H ILE A 58 1.059 8.959 -3.373 1.00 34.24 H new ATOM 0 HA ILE A 58 2.604 10.537 -5.315 1.00 1.23 H new ATOM 0 HB ILE A 58 1.497 11.891 -2.951 1.00 43.32 H new ATOM 0 HG12 ILE A 58 0.210 12.068 -5.693 1.00 34.22 H new ATOM 0 HG13 ILE A 58 -0.511 11.383 -4.250 1.00 34.22 H new ATOM 0 HG21 ILE A 58 2.115 13.943 -4.332 1.00 11.50 H new ATOM 0 HG22 ILE A 58 3.503 12.865 -4.050 1.00 11.50 H new ATOM 0 HG23 ILE A 58 2.672 12.853 -5.624 1.00 11.50 H new ATOM 0 HD11 ILE A 58 -1.402 13.630 -4.692 1.00 52.40 H new ATOM 0 HD12 ILE A 58 -0.490 13.616 -3.163 1.00 52.40 H new ATOM 0 HD13 ILE A 58 0.241 14.312 -4.629 1.00 52.40 H new ATOM 905 N ILE A 59 4.386 10.534 -3.200 1.00 30.32 N ATOM 906 CA ILE A 59 5.359 10.263 -2.132 1.00 54.15 C ATOM 907 C ILE A 59 5.877 11.622 -1.636 1.00 21.21 C ATOM 908 O ILE A 59 5.303 12.665 -1.963 1.00 64.43 O ATOM 909 CB ILE A 59 6.505 9.315 -2.597 1.00 4.52 C ATOM 910 CG1 ILE A 59 6.147 8.356 -3.756 1.00 12.11 C ATOM 911 CG2 ILE A 59 7.062 8.504 -1.404 1.00 23.23 C ATOM 912 CD1 ILE A 59 7.320 7.459 -4.177 1.00 32.42 C ATOM 0 H ILE A 59 4.728 11.192 -3.900 1.00 30.32 H new ATOM 0 HA ILE A 59 4.880 9.726 -1.313 1.00 54.15 H new ATOM 0 HB ILE A 59 7.264 9.986 -2.998 1.00 4.52 H new ATOM 0 HG12 ILE A 59 5.307 7.729 -3.455 1.00 12.11 H new ATOM 0 HG13 ILE A 59 5.817 8.940 -4.615 1.00 12.11 H new ATOM 0 HG21 ILE A 59 7.861 7.849 -1.751 1.00 23.23 H new ATOM 0 HG22 ILE A 59 7.454 9.187 -0.651 1.00 23.23 H new ATOM 0 HG23 ILE A 59 6.264 7.903 -0.968 1.00 23.23 H new ATOM 0 HD11 ILE A 59 7.006 6.809 -4.994 1.00 32.42 H new ATOM 0 HD12 ILE A 59 8.153 8.080 -4.507 1.00 32.42 H new ATOM 0 HD13 ILE A 59 7.635 6.850 -3.329 1.00 32.42 H new ATOM 924 N SER A 60 6.942 11.622 -0.840 1.00 30.11 N ATOM 925 CA SER A 60 7.787 12.755 -0.517 1.00 21.20 C ATOM 926 C SER A 60 9.125 12.191 -0.027 1.00 13.52 C ATOM 927 O SER A 60 9.253 10.980 0.156 1.00 52.52 O ATOM 928 CB SER A 60 7.118 13.604 0.570 1.00 64.14 C ATOM 929 OG SER A 60 6.875 14.911 0.098 1.00 33.33 O ATOM 0 H SER A 60 7.254 10.770 -0.375 1.00 30.11 H new ATOM 0 HA SER A 60 7.944 13.396 -1.384 1.00 21.20 H new ATOM 0 HB2 SER A 60 6.179 13.141 0.875 1.00 64.14 H new ATOM 0 HB3 SER A 60 7.756 13.643 1.453 1.00 64.14 H new ATOM 0 HG SER A 60 6.185 15.335 0.650 1.00 33.33 H new ATOM 935 N LEU A 61 10.108 13.069 0.175 1.00 64.33 N ATOM 936 CA LEU A 61 11.419 12.766 0.744 1.00 54.32 C ATOM 937 C LEU A 61 11.667 13.577 2.018 1.00 32.33 C ATOM 938 O LEU A 61 12.549 13.202 2.790 1.00 70.05 O ATOM 939 CB LEU A 61 12.541 13.099 -0.261 1.00 12.31 C ATOM 940 CG LEU A 61 12.827 12.108 -1.400 1.00 74.23 C ATOM 941 CD1 LEU A 61 13.318 10.750 -0.894 1.00 70.42 C ATOM 942 CD2 LEU A 61 11.648 11.909 -2.355 1.00 13.32 C ATOM 0 H LEU A 61 10.006 14.055 -0.065 1.00 64.33 H new ATOM 0 HA LEU A 61 11.428 11.701 0.977 1.00 54.32 H new ATOM 0 HB2 LEU A 61 12.306 14.063 -0.712 1.00 12.31 H new ATOM 0 HB3 LEU A 61 13.464 13.229 0.304 1.00 12.31 H new ATOM 0 HG LEU A 61 13.631 12.579 -1.966 1.00 74.23 H new ATOM 0 HD11 LEU A 61 13.504 10.091 -1.742 1.00 70.42 H new ATOM 0 HD12 LEU A 61 14.241 10.884 -0.330 1.00 70.42 H new ATOM 0 HD13 LEU A 61 12.560 10.306 -0.249 1.00 70.42 H new ATOM 0 HD21 LEU A 61 11.925 11.196 -3.132 1.00 13.32 H new ATOM 0 HD22 LEU A 61 10.791 11.526 -1.801 1.00 13.32 H new ATOM 0 HD23 LEU A 61 11.386 12.863 -2.814 1.00 13.32 H new ATOM 954 N ASP A 62 10.946 14.684 2.241 1.00 71.32 N ATOM 955 CA ASP A 62 11.224 15.610 3.345 1.00 51.51 C ATOM 956 C ASP A 62 11.063 14.900 4.690 1.00 44.33 C ATOM 957 O ASP A 62 11.895 15.036 5.579 1.00 30.21 O ATOM 958 CB ASP A 62 10.252 16.810 3.348 1.00 34.23 C ATOM 959 CG ASP A 62 10.470 17.833 2.238 1.00 54.55 C ATOM 960 OD1 ASP A 62 9.829 17.673 1.167 1.00 11.54 O ATOM 961 OD2 ASP A 62 11.205 18.824 2.450 1.00 31.22 O ATOM 0 H ASP A 62 10.154 14.962 1.661 1.00 71.32 H new ATOM 0 HA ASP A 62 12.246 15.962 3.202 1.00 51.51 H new ATOM 0 HB2 ASP A 62 9.233 16.430 3.274 1.00 34.23 H new ATOM 0 HB3 ASP A 62 10.333 17.319 4.309 1.00 34.23 H new ATOM 966 N GLU A 63 9.926 14.231 4.851 1.00 62.11 N ATOM 967 CA GLU A 63 9.264 13.802 6.073 1.00 2.21 C ATOM 968 C GLU A 63 7.932 13.198 5.661 1.00 70.03 C ATOM 969 O GLU A 63 7.562 12.134 6.143 1.00 50.23 O ATOM 970 CB GLU A 63 9.115 15.003 7.026 1.00 33.32 C ATOM 971 CG GLU A 63 7.933 14.967 8.007 1.00 25.20 C ATOM 972 CD GLU A 63 7.582 13.675 8.762 1.00 13.14 C ATOM 973 OE1 GLU A 63 8.470 12.855 9.110 1.00 45.15 O ATOM 974 OE2 GLU A 63 6.363 13.538 9.050 1.00 61.24 O ATOM 0 H GLU A 63 9.387 13.945 4.033 1.00 62.11 H new ATOM 0 HA GLU A 63 9.838 13.053 6.618 1.00 2.21 H new ATOM 0 HB2 GLU A 63 10.034 15.093 7.605 1.00 33.32 H new ATOM 0 HB3 GLU A 63 9.028 15.907 6.423 1.00 33.32 H new ATOM 0 HG2 GLU A 63 8.114 15.738 8.756 1.00 25.20 H new ATOM 0 HG3 GLU A 63 7.045 15.265 7.451 1.00 25.20 H new ATOM 981 N LYS A 64 7.217 13.850 4.733 1.00 3.44 N ATOM 982 CA LYS A 64 6.052 13.252 4.122 1.00 62.23 C ATOM 983 C LYS A 64 6.482 12.020 3.337 1.00 22.34 C ATOM 984 O LYS A 64 7.665 11.793 3.056 1.00 50.51 O ATOM 985 CB LYS A 64 5.266 14.265 3.269 1.00 13.11 C ATOM 986 CG LYS A 64 4.283 15.064 4.126 1.00 53.24 C ATOM 987 CD LYS A 64 4.920 16.267 4.829 1.00 23.21 C ATOM 988 CE LYS A 64 3.966 16.777 5.906 1.00 73.01 C ATOM 989 NZ LYS A 64 4.480 17.990 6.560 1.00 21.13 N ATOM 0 H LYS A 64 7.435 14.789 4.399 1.00 3.44 H new ATOM 0 HA LYS A 64 5.357 12.936 4.900 1.00 62.23 H new ATOM 0 HB2 LYS A 64 5.960 14.946 2.777 1.00 13.11 H new ATOM 0 HB3 LYS A 64 4.724 13.739 2.483 1.00 13.11 H new ATOM 0 HG2 LYS A 64 3.465 15.413 3.496 1.00 53.24 H new ATOM 0 HG3 LYS A 64 3.848 14.404 4.876 1.00 53.24 H new ATOM 0 HD2 LYS A 64 5.873 15.981 5.275 1.00 23.21 H new ATOM 0 HD3 LYS A 64 5.130 17.057 4.108 1.00 23.21 H new ATOM 0 HE2 LYS A 64 2.994 16.988 5.460 1.00 73.01 H new ATOM 0 HE3 LYS A 64 3.812 15.999 6.653 1.00 73.01 H new ATOM 0 HZ1 LYS A 64 3.805 18.306 7.285 1.00 21.13 H new ATOM 0 HZ2 LYS A 64 5.396 17.782 7.007 1.00 21.13 H new ATOM 0 HZ3 LYS A 64 4.603 18.741 5.851 1.00 21.13 H new ATOM 1003 N LEU A 65 5.486 11.223 2.994 1.00 33.34 N ATOM 1004 CA LEU A 65 5.640 9.825 2.647 1.00 5.44 C ATOM 1005 C LEU A 65 4.489 9.374 1.750 1.00 11.43 C ATOM 1006 O LEU A 65 3.706 10.205 1.284 1.00 22.33 O ATOM 1007 CB LEU A 65 5.822 9.005 3.941 1.00 41.52 C ATOM 1008 CG LEU A 65 4.736 9.030 5.047 1.00 70.22 C ATOM 1009 CD1 LEU A 65 4.685 10.306 5.892 1.00 33.41 C ATOM 1010 CD2 LEU A 65 3.309 8.816 4.554 1.00 23.05 C ATOM 0 H LEU A 65 4.518 11.543 2.948 1.00 33.34 H new ATOM 0 HA LEU A 65 6.538 9.658 2.053 1.00 5.44 H new ATOM 0 HB2 LEU A 65 5.957 7.964 3.646 1.00 41.52 H new ATOM 0 HB3 LEU A 65 6.756 9.330 4.399 1.00 41.52 H new ATOM 0 HG LEU A 65 5.071 8.187 5.651 1.00 70.22 H new ATOM 0 HD11 LEU A 65 3.892 10.219 6.634 1.00 33.41 H new ATOM 0 HD12 LEU A 65 5.641 10.447 6.397 1.00 33.41 H new ATOM 0 HD13 LEU A 65 4.486 11.162 5.247 1.00 33.41 H new ATOM 0 HD21 LEU A 65 2.623 8.850 5.400 1.00 23.05 H new ATOM 0 HD22 LEU A 65 3.048 9.600 3.843 1.00 23.05 H new ATOM 0 HD23 LEU A 65 3.235 7.844 4.066 1.00 23.05 H new ATOM 1022 N ILE A 66 4.413 8.078 1.439 1.00 54.35 N ATOM 1023 CA ILE A 66 3.422 7.549 0.511 1.00 71.20 C ATOM 1024 C ILE A 66 2.024 7.490 1.146 1.00 42.12 C ATOM 1025 O ILE A 66 1.618 6.504 1.769 1.00 50.30 O ATOM 1026 CB ILE A 66 3.891 6.230 -0.138 1.00 25.32 C ATOM 1027 CG1 ILE A 66 2.874 5.824 -1.234 1.00 5.43 C ATOM 1028 CG2 ILE A 66 4.269 5.139 0.881 1.00 12.52 C ATOM 1029 CD1 ILE A 66 3.124 4.452 -1.868 1.00 44.34 C ATOM 0 H ILE A 66 5.038 7.370 1.825 1.00 54.35 H new ATOM 0 HA ILE A 66 3.324 8.248 -0.319 1.00 71.20 H new ATOM 0 HB ILE A 66 4.847 6.385 -0.639 1.00 25.32 H new ATOM 0 HG12 ILE A 66 1.873 5.832 -0.802 1.00 5.43 H new ATOM 0 HG13 ILE A 66 2.888 6.579 -2.020 1.00 5.43 H new ATOM 0 HG21 ILE A 66 4.589 4.242 0.351 1.00 12.52 H new ATOM 0 HG22 ILE A 66 5.082 5.497 1.512 1.00 12.52 H new ATOM 0 HG23 ILE A 66 3.404 4.905 1.502 1.00 12.52 H new ATOM 0 HD11 ILE A 66 2.362 4.256 -2.623 1.00 44.34 H new ATOM 0 HD12 ILE A 66 4.109 4.441 -2.335 1.00 44.34 H new ATOM 0 HD13 ILE A 66 3.079 3.682 -1.098 1.00 44.34 H new ATOM 1041 N LYS A 67 1.247 8.547 0.937 1.00 23.22 N ATOM 1042 CA LYS A 67 -0.203 8.550 1.094 1.00 45.43 C ATOM 1043 C LYS A 67 -0.895 8.146 -0.197 1.00 70.40 C ATOM 1044 O LYS A 67 -0.303 8.219 -1.279 1.00 63.43 O ATOM 1045 CB LYS A 67 -0.716 9.933 1.494 1.00 1.11 C ATOM 1046 CG LYS A 67 0.249 10.778 2.331 1.00 72.42 C ATOM 1047 CD LYS A 67 -0.488 11.975 2.882 1.00 33.14 C ATOM 1048 CE LYS A 67 0.498 13.117 3.137 1.00 73.24 C ATOM 1049 NZ LYS A 67 -0.181 14.418 3.047 1.00 63.23 N ATOM 0 H LYS A 67 1.619 9.451 0.645 1.00 23.22 H new ATOM 0 HA LYS A 67 -0.432 7.830 1.880 1.00 45.43 H new ATOM 0 HB2 LYS A 67 -0.963 10.486 0.588 1.00 1.11 H new ATOM 0 HB3 LYS A 67 -1.643 9.809 2.054 1.00 1.11 H new ATOM 0 HG2 LYS A 67 0.660 10.182 3.146 1.00 72.42 H new ATOM 0 HG3 LYS A 67 1.090 11.104 1.719 1.00 72.42 H new ATOM 0 HD2 LYS A 67 -1.257 12.296 2.179 1.00 33.14 H new ATOM 0 HD3 LYS A 67 -0.996 11.707 3.809 1.00 33.14 H new ATOM 0 HE2 LYS A 67 0.947 13.003 4.123 1.00 73.24 H new ATOM 0 HE3 LYS A 67 1.309 13.073 2.410 1.00 73.24 H new ATOM 0 HZ1 LYS A 67 0.526 15.181 3.070 1.00 63.23 H new ATOM 0 HZ2 LYS A 67 -0.716 14.469 2.157 1.00 63.23 H new ATOM 0 HZ3 LYS A 67 -0.833 14.525 3.850 1.00 63.23 H new ATOM 1063 N LEU A 68 -2.177 7.820 -0.079 1.00 62.43 N ATOM 1064 CA LEU A 68 -3.041 7.390 -1.165 1.00 53.34 C ATOM 1065 C LEU A 68 -4.222 8.344 -1.214 1.00 25.01 C ATOM 1066 O LEU A 68 -4.953 8.473 -0.229 1.00 72.11 O ATOM 1067 CB LEU A 68 -3.465 5.939 -0.903 1.00 62.22 C ATOM 1068 CG LEU A 68 -2.313 4.980 -1.279 1.00 10.55 C ATOM 1069 CD1 LEU A 68 -1.909 4.030 -0.163 1.00 50.43 C ATOM 1070 CD2 LEU A 68 -2.706 4.161 -2.494 1.00 3.23 C ATOM 0 H LEU A 68 -2.661 7.851 0.818 1.00 62.43 H new ATOM 0 HA LEU A 68 -2.540 7.414 -2.133 1.00 53.34 H new ATOM 0 HB2 LEU A 68 -3.728 5.812 0.147 1.00 62.22 H new ATOM 0 HB3 LEU A 68 -4.354 5.700 -1.486 1.00 62.22 H new ATOM 0 HG LEU A 68 -1.451 5.615 -1.485 1.00 10.55 H new ATOM 0 HD11 LEU A 68 -1.095 3.391 -0.506 1.00 50.43 H new ATOM 0 HD12 LEU A 68 -1.579 4.605 0.702 1.00 50.43 H new ATOM 0 HD13 LEU A 68 -2.763 3.412 0.116 1.00 50.43 H new ATOM 0 HD21 LEU A 68 -1.892 3.486 -2.757 1.00 3.23 H new ATOM 0 HD22 LEU A 68 -3.600 3.580 -2.268 1.00 3.23 H new ATOM 0 HD23 LEU A 68 -2.909 4.828 -3.332 1.00 3.23 H new ATOM 1082 N TYR A 69 -4.364 9.044 -2.337 1.00 2.52 N ATOM 1083 CA TYR A 69 -5.340 10.104 -2.510 1.00 72.22 C ATOM 1084 C TYR A 69 -6.556 9.600 -3.271 1.00 14.21 C ATOM 1085 O TYR A 69 -6.410 8.818 -4.215 1.00 11.55 O ATOM 1086 CB TYR A 69 -4.689 11.288 -3.228 1.00 1.33 C ATOM 1087 CG TYR A 69 -3.853 12.131 -2.290 1.00 73.33 C ATOM 1088 CD1 TYR A 69 -2.501 11.833 -2.009 1.00 71.12 C ATOM 1089 CD2 TYR A 69 -4.493 13.196 -1.644 1.00 21.25 C ATOM 1090 CE1 TYR A 69 -1.790 12.649 -1.098 1.00 65.00 C ATOM 1091 CE2 TYR A 69 -3.806 13.994 -0.726 1.00 4.34 C ATOM 1092 CZ TYR A 69 -2.442 13.737 -0.460 1.00 11.53 C ATOM 1093 OH TYR A 69 -1.792 14.514 0.452 1.00 31.24 O ATOM 0 H TYR A 69 -3.790 8.883 -3.165 1.00 2.52 H new ATOM 0 HA TYR A 69 -5.684 10.436 -1.530 1.00 72.22 H new ATOM 0 HB2 TYR A 69 -4.062 10.919 -4.040 1.00 1.33 H new ATOM 0 HB3 TYR A 69 -5.463 11.908 -3.680 1.00 1.33 H new ATOM 0 HD1 TYR A 69 -2.016 10.993 -2.484 1.00 71.12 H new ATOM 0 HD2 TYR A 69 -5.531 13.403 -1.858 1.00 21.25 H new ATOM 0 HE1 TYR A 69 -0.751 12.444 -0.888 1.00 65.00 H new ATOM 0 HE2 TYR A 69 -4.314 14.803 -0.222 1.00 4.34 H new ATOM 0 HH TYR A 69 -2.399 15.210 0.781 1.00 31.24 H new ATOM 1103 N ASP A 70 -7.754 10.034 -2.883 1.00 50.42 N ATOM 1104 CA ASP A 70 -8.973 9.798 -3.639 1.00 2.34 C ATOM 1105 C ASP A 70 -9.167 10.834 -4.747 1.00 12.44 C ATOM 1106 O ASP A 70 -8.256 11.571 -5.135 1.00 52.14 O ATOM 1107 CB ASP A 70 -10.201 9.724 -2.717 1.00 65.44 C ATOM 1108 CG ASP A 70 -10.925 11.043 -2.486 1.00 41.52 C ATOM 1109 OD1 ASP A 70 -10.270 12.025 -2.100 1.00 12.43 O ATOM 1110 OD2 ASP A 70 -12.113 11.119 -2.871 1.00 52.11 O ATOM 0 H ASP A 70 -7.902 10.565 -2.025 1.00 50.42 H new ATOM 0 HA ASP A 70 -8.866 8.827 -4.124 1.00 2.34 H new ATOM 0 HB2 ASP A 70 -10.908 9.010 -3.139 1.00 65.44 H new ATOM 0 HB3 ASP A 70 -9.886 9.328 -1.752 1.00 65.44 H new ATOM 1115 N LYS A 71 -10.370 10.826 -5.313 1.00 11.52 N ATOM 1116 CA LYS A 71 -10.777 11.729 -6.390 1.00 14.25 C ATOM 1117 C LYS A 71 -11.051 13.151 -5.894 1.00 41.13 C ATOM 1118 O LYS A 71 -10.999 14.084 -6.698 1.00 63.33 O ATOM 1119 CB LYS A 71 -12.031 11.205 -7.101 1.00 43.20 C ATOM 1120 CG LYS A 71 -11.872 9.834 -7.766 1.00 43.30 C ATOM 1121 CD LYS A 71 -11.995 8.664 -6.778 1.00 35.02 C ATOM 1122 CE LYS A 71 -12.646 7.448 -7.434 1.00 54.22 C ATOM 1123 NZ LYS A 71 -11.841 6.945 -8.560 1.00 13.33 N ATOM 0 H LYS A 71 -11.106 10.179 -5.031 1.00 11.52 H new ATOM 0 HA LYS A 71 -9.939 11.764 -7.086 1.00 14.25 H new ATOM 0 HB2 LYS A 71 -12.844 11.149 -6.377 1.00 43.20 H new ATOM 0 HB3 LYS A 71 -12.329 11.928 -7.860 1.00 43.20 H new ATOM 0 HG2 LYS A 71 -12.628 9.725 -8.544 1.00 43.30 H new ATOM 0 HG3 LYS A 71 -10.900 9.786 -8.257 1.00 43.30 H new ATOM 0 HD2 LYS A 71 -11.006 8.394 -6.407 1.00 35.02 H new ATOM 0 HD3 LYS A 71 -12.585 8.974 -5.916 1.00 35.02 H new ATOM 0 HE2 LYS A 71 -12.771 6.658 -6.694 1.00 54.22 H new ATOM 0 HE3 LYS A 71 -13.642 7.714 -7.788 1.00 54.22 H new ATOM 0 HZ1 LYS A 71 -12.337 6.151 -9.014 1.00 13.33 H new ATOM 0 HZ2 LYS A 71 -11.700 7.707 -9.253 1.00 13.33 H new ATOM 0 HZ3 LYS A 71 -10.917 6.621 -8.209 1.00 13.33 H new ATOM 1137 N GLU A 72 -11.340 13.352 -4.615 1.00 4.55 N ATOM 1138 CA GLU A 72 -11.559 14.644 -3.976 1.00 54.12 C ATOM 1139 C GLU A 72 -10.367 14.955 -3.059 1.00 21.22 C ATOM 1140 O GLU A 72 -10.501 15.638 -2.043 1.00 72.24 O ATOM 1141 CB GLU A 72 -12.957 14.634 -3.322 1.00 43.13 C ATOM 1142 CG GLU A 72 -14.003 15.025 -4.382 1.00 3.51 C ATOM 1143 CD GLU A 72 -15.418 14.540 -4.069 1.00 4.35 C ATOM 1144 OE1 GLU A 72 -15.949 14.834 -2.973 1.00 11.54 O ATOM 1145 OE2 GLU A 72 -16.018 13.888 -4.959 1.00 43.22 O ATOM 0 H GLU A 72 -11.433 12.576 -3.960 1.00 4.55 H new ATOM 0 HA GLU A 72 -11.584 15.477 -4.679 1.00 54.12 H new ATOM 0 HB2 GLU A 72 -13.179 13.645 -2.920 1.00 43.13 H new ATOM 0 HB3 GLU A 72 -12.988 15.333 -2.486 1.00 43.13 H new ATOM 0 HG2 GLU A 72 -14.016 16.110 -4.481 1.00 3.51 H new ATOM 0 HG3 GLU A 72 -13.696 14.620 -5.346 1.00 3.51 H new ATOM 1152 N GLU A 73 -9.180 14.475 -3.458 1.00 34.23 N ATOM 1153 CA GLU A 73 -7.858 14.759 -2.909 1.00 11.23 C ATOM 1154 C GLU A 73 -7.780 14.656 -1.379 1.00 11.24 C ATOM 1155 O GLU A 73 -6.950 15.314 -0.744 1.00 3.22 O ATOM 1156 CB GLU A 73 -7.347 16.111 -3.426 1.00 12.22 C ATOM 1157 CG GLU A 73 -7.112 16.167 -4.935 1.00 12.13 C ATOM 1158 CD GLU A 73 -6.536 17.533 -5.288 1.00 24.11 C ATOM 1159 OE1 GLU A 73 -7.314 18.509 -5.319 1.00 53.21 O ATOM 1160 OE2 GLU A 73 -5.292 17.663 -5.396 1.00 3.12 O ATOM 0 H GLU A 73 -9.122 13.823 -4.240 1.00 34.23 H new ATOM 0 HA GLU A 73 -7.195 13.973 -3.269 1.00 11.23 H new ATOM 0 HB2 GLU A 73 -8.066 16.884 -3.154 1.00 12.22 H new ATOM 0 HB3 GLU A 73 -6.413 16.351 -2.917 1.00 12.22 H new ATOM 0 HG2 GLU A 73 -6.426 15.377 -5.240 1.00 12.13 H new ATOM 0 HG3 GLU A 73 -8.047 16.001 -5.470 1.00 12.13 H new ATOM 1167 N HIS A 74 -8.601 13.813 -0.764 1.00 50.44 N ATOM 1168 CA HIS A 74 -8.365 13.378 0.594 1.00 45.42 C ATOM 1169 C HIS A 74 -7.126 12.507 0.560 1.00 52.54 C ATOM 1170 O HIS A 74 -7.100 11.517 -0.171 1.00 62.30 O ATOM 1171 CB HIS A 74 -9.545 12.553 1.111 1.00 50.10 C ATOM 1172 CG HIS A 74 -10.802 13.339 1.338 1.00 52.21 C ATOM 1173 ND1 HIS A 74 -11.364 14.287 0.508 1.00 64.34 N ATOM 1174 CD2 HIS A 74 -11.614 13.186 2.421 1.00 12.55 C ATOM 1175 CE1 HIS A 74 -12.498 14.705 1.090 1.00 11.32 C ATOM 1176 NE2 HIS A 74 -12.674 14.088 2.275 1.00 42.54 N ATOM 0 H HIS A 74 -9.438 13.419 -1.193 1.00 50.44 H new ATOM 0 HA HIS A 74 -8.242 14.237 1.253 1.00 45.42 H new ATOM 0 HB2 HIS A 74 -9.754 11.755 0.398 1.00 50.10 H new ATOM 0 HB3 HIS A 74 -9.256 12.076 2.047 1.00 50.10 H new ATOM 0 HD1 HIS A 74 -10.987 14.610 -0.383 1.00 64.34 H new ATOM 0 HD2 HIS A 74 -11.467 12.497 3.240 1.00 12.55 H new ATOM 0 HE1 HIS A 74 -13.175 15.433 0.668 1.00 11.32 H new ATOM 1184 N CYS A 75 -6.121 12.850 1.361 1.00 72.21 N ATOM 1185 CA CYS A 75 -5.176 11.862 1.833 1.00 45.21 C ATOM 1186 C CYS A 75 -5.970 10.897 2.703 1.00 32.33 C ATOM 1187 O CYS A 75 -6.336 11.251 3.824 1.00 73.13 O ATOM 1188 CB CYS A 75 -3.994 12.530 2.550 1.00 25.24 C ATOM 1189 SG CYS A 75 -4.416 14.039 3.480 1.00 41.31 S ATOM 0 H CYS A 75 -5.947 13.799 1.691 1.00 72.21 H new ATOM 0 HA CYS A 75 -4.712 11.307 1.017 1.00 45.21 H new ATOM 0 HB2 CYS A 75 -3.550 11.809 3.237 1.00 25.24 H new ATOM 0 HB3 CYS A 75 -3.232 12.777 1.811 1.00 25.24 H new ATOM 0 HG CYS A 75 -3.346 14.515 4.044 1.00 41.31 H new ATOM 1195 N THR A 76 -6.334 9.747 2.139 1.00 34.33 N ATOM 1196 CA THR A 76 -7.216 8.803 2.800 1.00 31.45 C ATOM 1197 C THR A 76 -6.454 8.181 3.974 1.00 12.11 C ATOM 1198 O THR A 76 -6.772 8.424 5.137 1.00 21.43 O ATOM 1199 CB THR A 76 -7.783 7.799 1.775 1.00 74.33 C ATOM 1200 OG1 THR A 76 -6.795 7.017 1.117 1.00 53.14 O ATOM 1201 CG2 THR A 76 -8.575 8.508 0.672 1.00 14.45 C ATOM 0 H THR A 76 -6.024 9.449 1.214 1.00 34.33 H new ATOM 0 HA THR A 76 -8.096 9.288 3.222 1.00 31.45 H new ATOM 0 HB THR A 76 -8.415 7.146 2.376 1.00 74.33 H new ATOM 0 HG1 THR A 76 -6.176 7.607 0.639 1.00 53.14 H new ATOM 0 HG21 THR A 76 -8.959 7.770 -0.032 1.00 14.45 H new ATOM 0 HG22 THR A 76 -9.407 9.054 1.116 1.00 14.45 H new ATOM 0 HG23 THR A 76 -7.923 9.205 0.146 1.00 14.45 H new ATOM 1209 N GLU A 77 -5.375 7.465 3.670 1.00 70.40 N ATOM 1210 CA GLU A 77 -4.409 6.977 4.634 1.00 51.10 C ATOM 1211 C GLU A 77 -3.000 7.232 4.112 1.00 52.31 C ATOM 1212 O GLU A 77 -2.803 7.581 2.939 1.00 53.30 O ATOM 1213 CB GLU A 77 -4.664 5.504 4.961 1.00 42.13 C ATOM 1214 CG GLU A 77 -5.867 5.343 5.914 1.00 62.32 C ATOM 1215 CD GLU A 77 -5.795 4.057 6.728 1.00 5.52 C ATOM 1216 OE1 GLU A 77 -4.713 3.780 7.289 1.00 44.14 O ATOM 1217 OE2 GLU A 77 -6.813 3.339 6.838 1.00 34.41 O ATOM 0 H GLU A 77 -5.147 7.203 2.711 1.00 70.40 H new ATOM 0 HA GLU A 77 -4.517 7.519 5.573 1.00 51.10 H new ATOM 0 HB2 GLU A 77 -4.850 4.951 4.040 1.00 42.13 H new ATOM 0 HB3 GLU A 77 -3.774 5.071 5.418 1.00 42.13 H new ATOM 0 HG2 GLU A 77 -5.908 6.196 6.591 1.00 62.32 H new ATOM 0 HG3 GLU A 77 -6.790 5.352 5.334 1.00 62.32 H new ATOM 1224 N GLN A 78 -2.015 7.079 4.997 1.00 62.33 N ATOM 1225 CA GLN A 78 -0.611 7.294 4.714 1.00 10.42 C ATOM 1226 C GLN A 78 0.234 6.264 5.454 1.00 33.03 C ATOM 1227 O GLN A 78 -0.219 5.770 6.484 1.00 52.43 O ATOM 1228 CB GLN A 78 -0.236 8.722 5.080 1.00 61.33 C ATOM 1229 CG GLN A 78 -0.139 9.032 6.564 1.00 32.02 C ATOM 1230 CD GLN A 78 0.102 10.518 6.782 1.00 43.32 C ATOM 1231 OE1 GLN A 78 1.225 10.991 6.941 1.00 62.34 O ATOM 1232 NE2 GLN A 78 -0.964 11.289 6.764 1.00 12.45 N ATOM 0 H GLN A 78 -2.187 6.792 5.961 1.00 62.33 H new ATOM 0 HA GLN A 78 -0.416 7.162 3.650 1.00 10.42 H new ATOM 0 HB2 GLN A 78 0.724 8.953 4.619 1.00 61.33 H new ATOM 0 HB3 GLN A 78 -0.972 9.393 4.637 1.00 61.33 H new ATOM 0 HG2 GLN A 78 -1.058 8.729 7.066 1.00 32.02 H new ATOM 0 HG3 GLN A 78 0.672 8.457 7.010 1.00 32.02 H new ATOM 0 HE21 GLN A 78 -1.888 10.878 6.631 1.00 12.45 H new ATOM 0 HE22 GLN A 78 -0.866 12.297 6.883 1.00 12.45 H new ATOM 1241 N TYR A 79 1.441 5.966 4.959 1.00 21.21 N ATOM 1242 CA TYR A 79 2.320 4.960 5.551 1.00 1.12 C ATOM 1243 C TYR A 79 3.785 5.308 5.304 1.00 34.24 C ATOM 1244 O TYR A 79 4.135 5.783 4.221 1.00 45.33 O ATOM 1245 CB TYR A 79 2.020 3.593 4.932 1.00 30.32 C ATOM 1246 CG TYR A 79 0.581 3.161 5.107 1.00 1.22 C ATOM 1247 CD1 TYR A 79 0.148 2.666 6.348 1.00 3.31 C ATOM 1248 CD2 TYR A 79 -0.349 3.366 4.070 1.00 10.24 C ATOM 1249 CE1 TYR A 79 -1.210 2.365 6.537 1.00 30.02 C ATOM 1250 CE2 TYR A 79 -1.708 3.066 4.258 1.00 1.12 C ATOM 1251 CZ TYR A 79 -2.144 2.571 5.504 1.00 45.52 C ATOM 1252 OH TYR A 79 -3.438 2.199 5.674 1.00 2.25 O ATOM 0 H TYR A 79 1.834 6.419 4.134 1.00 21.21 H new ATOM 0 HA TYR A 79 2.140 4.934 6.626 1.00 1.12 H new ATOM 0 HB2 TYR A 79 2.256 3.624 3.868 1.00 30.32 H new ATOM 0 HB3 TYR A 79 2.674 2.846 5.383 1.00 30.32 H new ATOM 0 HD1 TYR A 79 0.855 2.518 7.151 1.00 3.31 H new ATOM 0 HD2 TYR A 79 -0.014 3.758 3.121 1.00 10.24 H new ATOM 0 HE1 TYR A 79 -1.542 1.971 7.486 1.00 30.02 H new ATOM 0 HE2 TYR A 79 -2.414 3.213 3.454 1.00 1.12 H new ATOM 0 HH TYR A 79 -3.792 2.609 6.491 1.00 2.25 H new ATOM 1262 N HIS A 80 4.652 5.062 6.287 1.00 71.41 N ATOM 1263 CA HIS A 80 6.084 5.278 6.136 1.00 62.22 C ATOM 1264 C HIS A 80 6.683 4.065 5.441 1.00 30.12 C ATOM 1265 O HIS A 80 6.478 2.926 5.868 1.00 22.31 O ATOM 1266 CB HIS A 80 6.797 5.579 7.469 1.00 63.11 C ATOM 1267 CG HIS A 80 7.439 6.947 7.430 1.00 32.21 C ATOM 1268 ND1 HIS A 80 6.893 8.123 7.897 1.00 53.23 N ATOM 1269 CD2 HIS A 80 8.594 7.270 6.766 1.00 24.11 C ATOM 1270 CE1 HIS A 80 7.682 9.129 7.495 1.00 4.41 C ATOM 1271 NE2 HIS A 80 8.748 8.658 6.830 1.00 63.02 N ATOM 0 H HIS A 80 4.379 4.709 7.204 1.00 71.41 H new ATOM 0 HA HIS A 80 6.235 6.170 5.528 1.00 62.22 H new ATOM 0 HB2 HIS A 80 6.082 5.530 8.290 1.00 63.11 H new ATOM 0 HB3 HIS A 80 7.556 4.820 7.662 1.00 63.11 H new ATOM 0 HD2 HIS A 80 9.265 6.577 6.281 1.00 24.11 H new ATOM 0 HE1 HIS A 80 7.487 10.175 7.681 1.00 4.41 H new ATOM 0 HE2 HIS A 80 9.519 9.205 6.447 1.00 63.02 H new ATOM 1279 N ILE A 81 7.440 4.322 4.378 1.00 14.11 N ATOM 1280 CA ILE A 81 8.285 3.327 3.743 1.00 53.41 C ATOM 1281 C ILE A 81 9.382 3.004 4.752 1.00 2.23 C ATOM 1282 O ILE A 81 10.062 3.922 5.219 1.00 61.15 O ATOM 1283 CB ILE A 81 8.884 3.883 2.425 1.00 14.53 C ATOM 1284 CG1 ILE A 81 7.767 4.433 1.509 1.00 70.21 C ATOM 1285 CG2 ILE A 81 9.745 2.806 1.733 1.00 42.55 C ATOM 1286 CD1 ILE A 81 8.236 4.895 0.126 1.00 51.23 C ATOM 0 H ILE A 81 7.481 5.238 3.932 1.00 14.11 H new ATOM 0 HA ILE A 81 7.722 2.433 3.475 1.00 53.41 H new ATOM 0 HB ILE A 81 9.543 4.721 2.654 1.00 14.53 H new ATOM 0 HG12 ILE A 81 7.009 3.660 1.380 1.00 70.21 H new ATOM 0 HG13 ILE A 81 7.285 5.271 2.012 1.00 70.21 H new ATOM 0 HG21 ILE A 81 10.159 3.210 0.809 1.00 42.55 H new ATOM 0 HG22 ILE A 81 10.558 2.509 2.396 1.00 42.55 H new ATOM 0 HG23 ILE A 81 9.127 1.938 1.505 1.00 42.55 H new ATOM 0 HD11 ILE A 81 7.383 5.264 -0.443 1.00 51.23 H new ATOM 0 HD12 ILE A 81 8.970 5.693 0.238 1.00 51.23 H new ATOM 0 HD13 ILE A 81 8.690 4.057 -0.403 1.00 51.23 H new ATOM 1298 N LEU A 82 9.574 1.720 5.066 1.00 50.42 N ATOM 1299 CA LEU A 82 10.786 1.266 5.744 1.00 45.33 C ATOM 1300 C LEU A 82 11.681 0.466 4.803 1.00 10.10 C ATOM 1301 O LEU A 82 12.903 0.614 4.823 1.00 14.11 O ATOM 1302 CB LEU A 82 10.477 0.407 6.974 1.00 1.42 C ATOM 1303 CG LEU A 82 9.469 0.982 7.980 1.00 13.33 C ATOM 1304 CD1 LEU A 82 9.462 0.038 9.181 1.00 42.31 C ATOM 1305 CD2 LEU A 82 9.806 2.399 8.457 1.00 54.51 C ATOM 0 H LEU A 82 8.904 0.978 4.861 1.00 50.42 H new ATOM 0 HA LEU A 82 11.304 2.169 6.068 1.00 45.33 H new ATOM 0 HB2 LEU A 82 10.103 -0.557 6.630 1.00 1.42 H new ATOM 0 HB3 LEU A 82 11.412 0.217 7.500 1.00 1.42 H new ATOM 0 HG LEU A 82 8.499 1.057 7.488 1.00 13.33 H new ATOM 0 HD11 LEU A 82 8.758 0.405 9.928 1.00 42.31 H new ATOM 0 HD12 LEU A 82 9.162 -0.959 8.858 1.00 42.31 H new ATOM 0 HD13 LEU A 82 10.461 -0.006 9.615 1.00 42.31 H new ATOM 0 HD21 LEU A 82 9.048 2.735 9.165 1.00 54.51 H new ATOM 0 HD22 LEU A 82 10.781 2.397 8.944 1.00 54.51 H new ATOM 0 HD23 LEU A 82 9.829 3.075 7.602 1.00 54.51 H new ATOM 1317 N LYS A 83 11.101 -0.428 3.996 1.00 1.31 N ATOM 1318 CA LYS A 83 11.861 -1.327 3.132 1.00 32.04 C ATOM 1319 C LYS A 83 10.986 -1.834 1.998 1.00 45.23 C ATOM 1320 O LYS A 83 9.757 -1.820 2.119 1.00 54.45 O ATOM 1321 CB LYS A 83 12.410 -2.505 3.964 1.00 11.51 C ATOM 1322 CG LYS A 83 13.941 -2.524 4.070 1.00 65.31 C ATOM 1323 CD LYS A 83 14.682 -2.753 2.745 1.00 12.52 C ATOM 1324 CE LYS A 83 14.268 -4.053 2.049 1.00 12.21 C ATOM 1325 NZ LYS A 83 14.611 -5.243 2.845 1.00 4.51 N ATOM 0 H LYS A 83 10.090 -0.546 3.926 1.00 1.31 H new ATOM 0 HA LYS A 83 12.699 -0.782 2.697 1.00 32.04 H new ATOM 0 HB2 LYS A 83 11.986 -2.459 4.967 1.00 11.51 H new ATOM 0 HB3 LYS A 83 12.074 -3.441 3.518 1.00 11.51 H new ATOM 0 HG2 LYS A 83 14.272 -1.576 4.495 1.00 65.31 H new ATOM 0 HG3 LYS A 83 14.232 -3.306 4.771 1.00 65.31 H new ATOM 0 HD2 LYS A 83 14.491 -1.913 2.078 1.00 12.52 H new ATOM 0 HD3 LYS A 83 15.755 -2.773 2.933 1.00 12.52 H new ATOM 0 HE2 LYS A 83 13.194 -4.038 1.865 1.00 12.21 H new ATOM 0 HE3 LYS A 83 14.757 -4.115 1.077 1.00 12.21 H new ATOM 0 HZ1 LYS A 83 14.980 -5.986 2.218 1.00 4.51 H new ATOM 0 HZ2 LYS A 83 15.335 -4.993 3.548 1.00 4.51 H new ATOM 0 HZ3 LYS A 83 13.761 -5.592 3.332 1.00 4.51 H new ATOM 1339 N LEU A 84 11.639 -2.322 0.938 1.00 51.51 N ATOM 1340 CA LEU A 84 11.032 -2.933 -0.233 1.00 1.20 C ATOM 1341 C LEU A 84 11.958 -4.068 -0.672 1.00 41.52 C ATOM 1342 O LEU A 84 13.162 -3.817 -0.767 1.00 72.11 O ATOM 1343 CB LEU A 84 10.976 -1.868 -1.343 1.00 31.12 C ATOM 1344 CG LEU A 84 9.826 -2.007 -2.354 1.00 13.12 C ATOM 1345 CD1 LEU A 84 9.453 -3.435 -2.766 1.00 71.33 C ATOM 1346 CD2 LEU A 84 8.605 -1.282 -1.806 1.00 55.53 C ATOM 0 H LEU A 84 12.657 -2.297 0.878 1.00 51.51 H new ATOM 0 HA LEU A 84 10.030 -3.309 -0.027 1.00 1.20 H new ATOM 0 HB2 LEU A 84 10.904 -0.887 -0.874 1.00 31.12 H new ATOM 0 HB3 LEU A 84 11.919 -1.892 -1.890 1.00 31.12 H new ATOM 0 HG LEU A 84 10.193 -1.557 -3.277 1.00 13.12 H new ATOM 0 HD11 LEU A 84 8.631 -3.404 -3.481 1.00 71.33 H new ATOM 0 HD12 LEU A 84 10.315 -3.918 -3.225 1.00 71.33 H new ATOM 0 HD13 LEU A 84 9.147 -4.000 -1.885 1.00 71.33 H new ATOM 0 HD21 LEU A 84 7.780 -1.372 -2.513 1.00 55.53 H new ATOM 0 HD22 LEU A 84 8.316 -1.725 -0.853 1.00 55.53 H new ATOM 0 HD23 LEU A 84 8.843 -0.229 -1.659 1.00 55.53 H new ATOM 1358 N THR A 85 11.441 -5.266 -0.929 1.00 12.41 N ATOM 1359 CA THR A 85 12.080 -6.293 -1.766 1.00 63.32 C ATOM 1360 C THR A 85 11.020 -6.911 -2.697 1.00 13.20 C ATOM 1361 O THR A 85 9.879 -6.439 -2.706 1.00 2.40 O ATOM 1362 CB THR A 85 12.841 -7.356 -0.941 1.00 61.01 C ATOM 1363 OG1 THR A 85 11.984 -8.321 -0.377 1.00 32.41 O ATOM 1364 CG2 THR A 85 13.650 -6.786 0.223 1.00 44.22 C ATOM 0 H THR A 85 10.541 -5.564 -0.553 1.00 12.41 H new ATOM 0 HA THR A 85 12.849 -5.816 -2.374 1.00 63.32 H new ATOM 0 HB THR A 85 13.511 -7.797 -1.679 1.00 61.01 H new ATOM 0 HG1 THR A 85 12.513 -8.970 0.132 1.00 32.41 H new ATOM 0 HG21 THR A 85 14.152 -7.598 0.749 1.00 44.22 H new ATOM 0 HG22 THR A 85 14.393 -6.086 -0.159 1.00 44.22 H new ATOM 0 HG23 THR A 85 12.982 -6.267 0.910 1.00 44.22 H new ATOM 1372 N SER A 86 11.350 -7.980 -3.436 1.00 21.02 N ATOM 1373 CA SER A 86 10.517 -8.581 -4.480 1.00 52.25 C ATOM 1374 C SER A 86 9.056 -8.720 -4.048 1.00 3.52 C ATOM 1375 O SER A 86 8.133 -8.367 -4.787 1.00 35.13 O ATOM 1376 CB SER A 86 11.130 -9.934 -4.905 1.00 54.51 C ATOM 1377 OG SER A 86 10.606 -11.058 -4.246 1.00 23.01 O ATOM 0 H SER A 86 12.239 -8.466 -3.316 1.00 21.02 H new ATOM 0 HA SER A 86 10.504 -7.915 -5.343 1.00 52.25 H new ATOM 0 HB2 SER A 86 10.984 -10.060 -5.978 1.00 54.51 H new ATOM 0 HB3 SER A 86 12.205 -9.899 -4.731 1.00 54.51 H new ATOM 0 HG SER A 86 11.049 -11.867 -4.577 1.00 23.01 H new ATOM 1383 N LYS A 87 8.866 -9.209 -2.826 1.00 60.41 N ATOM 1384 CA LYS A 87 7.609 -9.650 -2.255 1.00 24.42 C ATOM 1385 C LYS A 87 7.500 -9.237 -0.797 1.00 0.32 C ATOM 1386 O LYS A 87 6.746 -9.861 -0.054 1.00 4.12 O ATOM 1387 CB LYS A 87 7.519 -11.172 -2.422 1.00 72.01 C ATOM 1388 CG LYS A 87 8.662 -11.910 -1.709 1.00 32.24 C ATOM 1389 CD LYS A 87 8.429 -13.426 -1.749 1.00 53.32 C ATOM 1390 CE LYS A 87 8.381 -14.007 -0.332 1.00 23.00 C ATOM 1391 NZ LYS A 87 7.114 -13.676 0.351 1.00 21.45 N ATOM 0 H LYS A 87 9.640 -9.312 -2.170 1.00 60.41 H new ATOM 0 HA LYS A 87 6.774 -9.178 -2.773 1.00 24.42 H new ATOM 0 HB2 LYS A 87 6.564 -11.522 -2.029 1.00 72.01 H new ATOM 0 HB3 LYS A 87 7.537 -11.420 -3.483 1.00 72.01 H new ATOM 0 HG2 LYS A 87 9.612 -11.669 -2.186 1.00 32.24 H new ATOM 0 HG3 LYS A 87 8.731 -11.574 -0.674 1.00 32.24 H new ATOM 0 HD2 LYS A 87 7.494 -13.641 -2.267 1.00 53.32 H new ATOM 0 HD3 LYS A 87 9.226 -13.906 -2.317 1.00 53.32 H new ATOM 0 HE2 LYS A 87 8.497 -15.090 -0.378 1.00 23.00 H new ATOM 0 HE3 LYS A 87 9.219 -13.621 0.248 1.00 23.00 H new ATOM 0 HZ1 LYS A 87 7.282 -13.593 1.374 1.00 21.45 H new ATOM 0 HZ2 LYS A 87 6.748 -12.774 -0.014 1.00 21.45 H new ATOM 0 HZ3 LYS A 87 6.418 -14.428 0.175 1.00 21.45 H new ATOM 1405 N GLU A 88 8.252 -8.231 -0.358 1.00 44.54 N ATOM 1406 CA GLU A 88 8.219 -7.777 1.017 1.00 73.41 C ATOM 1407 C GLU A 88 8.187 -6.258 1.025 1.00 40.55 C ATOM 1408 O GLU A 88 8.917 -5.610 0.276 1.00 24.02 O ATOM 1409 CB GLU A 88 9.440 -8.314 1.770 1.00 12.32 C ATOM 1410 CG GLU A 88 9.100 -8.451 3.253 1.00 2.31 C ATOM 1411 CD GLU A 88 10.363 -8.544 4.095 1.00 70.31 C ATOM 1412 OE1 GLU A 88 11.054 -9.589 4.045 1.00 41.34 O ATOM 1413 OE2 GLU A 88 10.648 -7.527 4.767 1.00 52.12 O ATOM 0 H GLU A 88 8.899 -7.712 -0.951 1.00 44.54 H new ATOM 0 HA GLU A 88 7.328 -8.151 1.522 1.00 73.41 H new ATOM 0 HB2 GLU A 88 9.736 -9.281 1.363 1.00 12.32 H new ATOM 0 HB3 GLU A 88 10.287 -7.640 1.640 1.00 12.32 H new ATOM 0 HG2 GLU A 88 8.507 -7.595 3.574 1.00 2.31 H new ATOM 0 HG3 GLU A 88 8.488 -9.340 3.409 1.00 2.31 H new ATOM 1420 N MET A 89 7.308 -5.674 1.833 1.00 52.52 N ATOM 1421 CA MET A 89 7.187 -4.232 1.947 1.00 64.43 C ATOM 1422 C MET A 89 6.674 -3.841 3.330 1.00 52.42 C ATOM 1423 O MET A 89 5.540 -4.160 3.682 1.00 30.33 O ATOM 1424 CB MET A 89 6.258 -3.757 0.832 1.00 24.20 C ATOM 1425 CG MET A 89 5.923 -2.288 1.015 1.00 14.30 C ATOM 1426 SD MET A 89 5.136 -1.510 -0.402 1.00 4.33 S ATOM 1427 CE MET A 89 3.397 -1.905 -0.231 1.00 3.42 C ATOM 0 H MET A 89 6.660 -6.192 2.427 1.00 52.52 H new ATOM 0 HA MET A 89 8.159 -3.751 1.837 1.00 64.43 H new ATOM 0 HB2 MET A 89 6.733 -3.911 -0.137 1.00 24.20 H new ATOM 0 HB3 MET A 89 5.343 -4.349 0.835 1.00 24.20 H new ATOM 0 HG2 MET A 89 5.267 -2.185 1.879 1.00 14.30 H new ATOM 0 HG3 MET A 89 6.841 -1.747 1.245 1.00 14.30 H new ATOM 0 HE1 MET A 89 2.832 -1.407 -1.019 1.00 3.42 H new ATOM 0 HE2 MET A 89 3.259 -2.983 -0.311 1.00 3.42 H new ATOM 0 HE3 MET A 89 3.041 -1.565 0.741 1.00 3.42 H new ATOM 1437 N LYS A 90 7.477 -3.110 4.102 1.00 11.24 N ATOM 1438 CA LYS A 90 7.133 -2.680 5.466 1.00 73.13 C ATOM 1439 C LYS A 90 6.576 -1.265 5.441 1.00 73.23 C ATOM 1440 O LYS A 90 7.351 -0.315 5.301 1.00 30.24 O ATOM 1441 CB LYS A 90 8.356 -2.770 6.391 1.00 44.23 C ATOM 1442 CG LYS A 90 8.508 -4.137 7.074 1.00 71.43 C ATOM 1443 CD LYS A 90 9.818 -4.229 7.874 1.00 3.14 C ATOM 1444 CE LYS A 90 10.935 -4.616 6.906 1.00 22.42 C ATOM 1445 NZ LYS A 90 12.292 -4.592 7.482 1.00 21.00 N ATOM 0 H LYS A 90 8.398 -2.793 3.798 1.00 11.24 H new ATOM 0 HA LYS A 90 6.367 -3.348 5.860 1.00 73.13 H new ATOM 0 HB2 LYS A 90 9.256 -2.560 5.812 1.00 44.23 H new ATOM 0 HB3 LYS A 90 8.281 -1.997 7.156 1.00 44.23 H new ATOM 0 HG2 LYS A 90 7.662 -4.308 7.740 1.00 71.43 H new ATOM 0 HG3 LYS A 90 8.485 -4.925 6.321 1.00 71.43 H new ATOM 0 HD2 LYS A 90 10.041 -3.275 8.352 1.00 3.14 H new ATOM 0 HD3 LYS A 90 9.728 -4.970 8.669 1.00 3.14 H new ATOM 0 HE2 LYS A 90 10.735 -5.618 6.526 1.00 22.42 H new ATOM 0 HE3 LYS A 90 10.907 -3.939 6.052 1.00 22.42 H new ATOM 0 HZ1 LYS A 90 12.983 -4.868 6.755 1.00 21.00 H new ATOM 0 HZ2 LYS A 90 12.509 -3.633 7.820 1.00 21.00 H new ATOM 0 HZ3 LYS A 90 12.343 -5.259 8.278 1.00 21.00 H new ATOM 1459 N TRP A 91 5.247 -1.138 5.510 1.00 51.43 N ATOM 1460 CA TRP A 91 4.511 0.123 5.501 1.00 50.32 C ATOM 1461 C TRP A 91 4.101 0.411 6.944 1.00 30.04 C ATOM 1462 O TRP A 91 3.049 -0.052 7.395 1.00 4.54 O ATOM 1463 CB TRP A 91 3.295 0.040 4.553 1.00 2.11 C ATOM 1464 CG TRP A 91 3.425 0.670 3.190 1.00 43.34 C ATOM 1465 CD1 TRP A 91 2.401 1.232 2.506 1.00 3.33 C ATOM 1466 CD2 TRP A 91 4.596 0.850 2.323 1.00 30.15 C ATOM 1467 NE1 TRP A 91 2.854 1.749 1.314 1.00 13.44 N ATOM 1468 CE2 TRP A 91 4.195 1.518 1.129 1.00 41.31 C ATOM 1469 CE3 TRP A 91 5.954 0.486 2.394 1.00 11.51 C ATOM 1470 CZ2 TRP A 91 5.084 1.796 0.076 1.00 70.41 C ATOM 1471 CZ3 TRP A 91 6.854 0.748 1.349 1.00 71.04 C ATOM 1472 CH2 TRP A 91 6.429 1.413 0.188 1.00 71.44 C ATOM 0 H TRP A 91 4.631 -1.949 5.576 1.00 51.43 H new ATOM 0 HA TRP A 91 5.128 0.938 5.124 1.00 50.32 H new ATOM 0 HB2 TRP A 91 3.050 -1.013 4.414 1.00 2.11 H new ATOM 0 HB3 TRP A 91 2.445 0.502 5.056 1.00 2.11 H new ATOM 0 HD1 TRP A 91 1.377 1.269 2.847 1.00 3.33 H new ATOM 0 HE1 TRP A 91 2.263 2.245 0.647 1.00 13.44 H new ATOM 0 HE3 TRP A 91 6.315 -0.011 3.282 1.00 11.51 H new ATOM 0 HZ2 TRP A 91 4.734 2.301 -0.812 1.00 70.41 H new ATOM 0 HZ3 TRP A 91 7.884 0.435 1.439 1.00 71.04 H new ATOM 0 HH2 TRP A 91 7.127 1.627 -0.608 1.00 71.44 H new ATOM 1483 N GLU A 92 4.951 1.139 7.665 1.00 3.51 N ATOM 1484 CA GLU A 92 4.702 1.579 9.036 1.00 50.22 C ATOM 1485 C GLU A 92 3.593 2.645 9.043 1.00 42.14 C ATOM 1486 O GLU A 92 3.310 3.237 8.001 1.00 30.25 O ATOM 1487 CB GLU A 92 6.027 2.105 9.611 1.00 73.01 C ATOM 1488 CG GLU A 92 6.057 2.100 11.143 1.00 41.53 C ATOM 1489 CD GLU A 92 7.465 2.374 11.673 1.00 64.13 C ATOM 1490 OE1 GLU A 92 7.864 3.559 11.660 1.00 14.52 O ATOM 1491 OE2 GLU A 92 8.169 1.404 12.048 1.00 72.41 O ATOM 0 H GLU A 92 5.854 1.447 7.303 1.00 3.51 H new ATOM 0 HA GLU A 92 4.354 0.758 9.662 1.00 50.22 H new ATOM 0 HB2 GLU A 92 6.848 1.495 9.235 1.00 73.01 H new ATOM 0 HB3 GLU A 92 6.195 3.121 9.253 1.00 73.01 H new ATOM 0 HG2 GLU A 92 5.369 2.855 11.525 1.00 41.53 H new ATOM 0 HG3 GLU A 92 5.709 1.136 11.512 1.00 41.53 H new ATOM 1498 N ASN A 93 2.977 2.914 10.197 1.00 71.12 N ATOM 1499 CA ASN A 93 1.833 3.817 10.338 1.00 42.20 C ATOM 1500 C ASN A 93 2.133 5.236 9.847 1.00 21.21 C ATOM 1501 O ASN A 93 1.305 5.809 9.147 1.00 11.44 O ATOM 1502 CB ASN A 93 1.384 3.825 11.807 1.00 13.44 C ATOM 1503 CG ASN A 93 0.681 5.101 12.252 1.00 13.42 C ATOM 1504 OD1 ASN A 93 1.164 5.754 13.161 1.00 51.30 O ATOM 1505 ND2 ASN A 93 -0.436 5.498 11.666 1.00 65.34 N ATOM 0 H ASN A 93 3.268 2.499 11.082 1.00 71.12 H new ATOM 0 HA ASN A 93 1.028 3.446 9.704 1.00 42.20 H new ATOM 0 HB2 ASN A 93 0.714 2.981 11.972 1.00 13.44 H new ATOM 0 HB3 ASN A 93 2.257 3.668 12.440 1.00 13.44 H new ATOM 0 HD21 ASN A 93 -0.897 6.354 11.974 1.00 65.34 H new ATOM 0 HD22 ASN A 93 -0.836 4.948 10.906 1.00 65.34 H new ATOM 1512 N ALA A 94 3.288 5.808 10.205 1.00 74.21 N ATOM 1513 CA ALA A 94 3.665 7.212 10.013 1.00 72.04 C ATOM 1514 C ALA A 94 2.787 8.212 10.763 1.00 14.33 C ATOM 1515 O ALA A 94 3.340 9.087 11.421 1.00 33.42 O ATOM 1516 CB ALA A 94 3.730 7.618 8.535 1.00 70.32 C ATOM 0 H ALA A 94 4.026 5.273 10.662 1.00 74.21 H new ATOM 0 HA ALA A 94 4.664 7.260 10.445 1.00 72.04 H new ATOM 0 HB1 ALA A 94 4.014 8.668 8.458 1.00 70.32 H new ATOM 0 HB2 ALA A 94 4.469 7.004 8.021 1.00 70.32 H new ATOM 0 HB3 ALA A 94 2.753 7.472 8.074 1.00 70.32 H new ATOM 1522 N SER A 95 1.462 8.157 10.634 1.00 30.11 N ATOM 1523 CA SER A 95 0.546 9.177 11.105 1.00 53.42 C ATOM 1524 C SER A 95 -0.367 8.589 12.188 1.00 53.34 C ATOM 1525 O SER A 95 -1.520 8.232 11.919 1.00 74.31 O ATOM 1526 CB SER A 95 -0.139 9.703 9.847 1.00 52.11 C ATOM 1527 OG SER A 95 -1.364 10.356 10.038 1.00 72.02 O ATOM 0 H SER A 95 0.989 7.374 10.184 1.00 30.11 H new ATOM 0 HA SER A 95 1.015 10.022 11.609 1.00 53.42 H new ATOM 0 HB2 SER A 95 0.543 10.392 9.348 1.00 52.11 H new ATOM 0 HB3 SER A 95 -0.299 8.865 9.168 1.00 52.11 H new ATOM 0 HG SER A 95 -1.715 10.653 9.172 1.00 72.02 H new ATOM 1533 N PRO A 96 0.102 8.488 13.440 1.00 30.21 N ATOM 1534 CA PRO A 96 -0.672 7.859 14.504 1.00 3.51 C ATOM 1535 C PRO A 96 -1.903 8.699 14.857 1.00 51.53 C ATOM 1536 O PRO A 96 -2.890 8.169 15.368 1.00 22.14 O ATOM 1537 CB PRO A 96 0.314 7.681 15.662 1.00 43.53 C ATOM 1538 CG PRO A 96 1.354 8.775 15.438 1.00 31.31 C ATOM 1539 CD PRO A 96 1.413 8.890 13.920 1.00 72.01 C ATOM 0 HA PRO A 96 -1.087 6.893 14.216 1.00 3.51 H new ATOM 0 HB2 PRO A 96 -0.180 7.793 16.627 1.00 43.53 H new ATOM 0 HB3 PRO A 96 0.769 6.690 15.650 1.00 43.53 H new ATOM 0 HG2 PRO A 96 1.056 9.715 15.902 1.00 31.31 H new ATOM 0 HG3 PRO A 96 2.322 8.504 15.860 1.00 31.31 H new ATOM 0 HD2 PRO A 96 1.645 9.910 13.614 1.00 72.01 H new ATOM 0 HD3 PRO A 96 2.193 8.249 13.510 1.00 72.01 H new ATOM 1547 N LYS A 97 -1.877 9.993 14.515 1.00 1.24 N ATOM 1548 CA LYS A 97 -3.002 10.911 14.606 1.00 5.15 C ATOM 1549 C LYS A 97 -4.204 10.431 13.794 1.00 4.15 C ATOM 1550 O LYS A 97 -5.319 10.485 14.308 1.00 54.40 O ATOM 1551 CB LYS A 97 -2.533 12.321 14.215 1.00 64.42 C ATOM 1552 CG LYS A 97 -2.327 12.571 12.716 1.00 63.01 C ATOM 1553 CD LYS A 97 -1.235 13.591 12.362 1.00 52.14 C ATOM 1554 CE LYS A 97 -0.094 12.843 11.665 1.00 71.24 C ATOM 1555 NZ LYS A 97 0.926 13.735 11.101 1.00 53.50 N ATOM 0 H LYS A 97 -1.034 10.440 14.154 1.00 1.24 H new ATOM 0 HA LYS A 97 -3.356 10.944 15.636 1.00 5.15 H new ATOM 0 HB2 LYS A 97 -3.263 13.041 14.586 1.00 64.42 H new ATOM 0 HB3 LYS A 97 -1.594 12.525 14.729 1.00 64.42 H new ATOM 0 HG2 LYS A 97 -2.084 11.623 12.237 1.00 63.01 H new ATOM 0 HG3 LYS A 97 -3.270 12.911 12.289 1.00 63.01 H new ATOM 0 HD2 LYS A 97 -1.636 14.367 11.710 1.00 52.14 H new ATOM 0 HD3 LYS A 97 -0.871 14.087 13.262 1.00 52.14 H new ATOM 0 HE2 LYS A 97 0.378 12.168 12.379 1.00 71.24 H new ATOM 0 HE3 LYS A 97 -0.507 12.225 10.868 1.00 71.24 H new ATOM 0 HZ1 LYS A 97 1.669 13.168 10.644 1.00 53.50 H new ATOM 0 HZ2 LYS A 97 0.487 14.363 10.397 1.00 53.50 H new ATOM 0 HZ3 LYS A 97 1.346 14.307 11.861 1.00 53.50 H new ATOM 1569 N ASP A 98 -3.985 9.995 12.548 1.00 72.10 N ATOM 1570 CA ASP A 98 -5.058 9.589 11.643 1.00 53.31 C ATOM 1571 C ASP A 98 -5.475 8.165 11.984 1.00 43.20 C ATOM 1572 O ASP A 98 -6.662 7.856 11.910 1.00 4.33 O ATOM 1573 CB ASP A 98 -4.658 9.682 10.165 1.00 24.03 C ATOM 1574 CG ASP A 98 -4.706 11.094 9.564 1.00 73.22 C ATOM 1575 OD1 ASP A 98 -3.999 12.008 10.049 1.00 45.10 O ATOM 1576 OD2 ASP A 98 -5.374 11.304 8.525 1.00 21.05 O ATOM 0 H ASP A 98 -3.053 9.915 12.141 1.00 72.10 H new ATOM 0 HA ASP A 98 -5.891 10.278 11.782 1.00 53.31 H new ATOM 0 HB2 ASP A 98 -3.647 9.291 10.053 1.00 24.03 H new ATOM 0 HB3 ASP A 98 -5.316 9.035 9.585 1.00 24.03 H new ATOM 1581 N GLY A 99 -4.516 7.336 12.427 1.00 72.12 N ATOM 1582 CA GLY A 99 -4.805 5.999 12.950 1.00 70.10 C ATOM 1583 C GLY A 99 -4.208 4.818 12.176 1.00 71.12 C ATOM 1584 O GLY A 99 -4.479 3.675 12.545 1.00 45.42 O ATOM 0 H GLY A 99 -3.525 7.576 12.431 1.00 72.12 H new ATOM 0 HA2 GLY A 99 -4.446 5.950 13.978 1.00 70.10 H new ATOM 0 HA3 GLY A 99 -5.887 5.873 12.984 1.00 70.10 H new ATOM 1588 N ASN A 100 -3.421 5.067 11.123 1.00 53.20 N ATOM 1589 CA ASN A 100 -3.037 4.088 10.087 1.00 50.52 C ATOM 1590 C ASN A 100 -2.324 2.838 10.647 1.00 11.22 C ATOM 1591 O ASN A 100 -1.755 2.890 11.737 1.00 52.11 O ATOM 1592 CB ASN A 100 -2.145 4.753 9.009 1.00 61.21 C ATOM 1593 CG ASN A 100 -2.526 6.192 8.717 1.00 54.54 C ATOM 1594 OD1 ASN A 100 -1.918 7.141 9.191 1.00 64.40 O ATOM 1595 ND2 ASN A 100 -3.634 6.388 8.041 1.00 71.01 N ATOM 0 H ASN A 100 -3.016 5.989 10.958 1.00 53.20 H new ATOM 0 HA ASN A 100 -3.973 3.747 9.643 1.00 50.52 H new ATOM 0 HB2 ASN A 100 -1.106 4.719 9.336 1.00 61.21 H new ATOM 0 HB3 ASN A 100 -2.208 4.174 8.088 1.00 61.21 H new ATOM 0 HD21 ASN A 100 -3.991 7.335 7.910 1.00 71.01 H new ATOM 0 HD22 ASN A 100 -4.138 5.594 7.647 1.00 71.01 H new ATOM 1602 N SER A 101 -2.263 1.753 9.870 1.00 63.12 N ATOM 1603 CA SER A 101 -1.787 0.419 10.272 1.00 61.04 C ATOM 1604 C SER A 101 -0.351 0.100 9.792 1.00 12.14 C ATOM 1605 O SER A 101 -0.008 0.369 8.636 1.00 21.04 O ATOM 1606 CB SER A 101 -2.761 -0.620 9.686 1.00 1.55 C ATOM 1607 OG SER A 101 -4.084 -0.122 9.652 1.00 33.33 O ATOM 0 H SER A 101 -2.558 1.779 8.894 1.00 63.12 H new ATOM 0 HA SER A 101 -1.756 0.391 11.361 1.00 61.04 H new ATOM 0 HB2 SER A 101 -2.446 -0.889 8.678 1.00 1.55 H new ATOM 0 HB3 SER A 101 -2.728 -1.531 10.284 1.00 1.55 H new ATOM 0 HG SER A 101 -4.680 -0.802 9.274 1.00 33.33 H new ATOM 1613 N ASP A 102 0.461 -0.563 10.625 1.00 13.52 N ATOM 1614 CA ASP A 102 1.923 -0.752 10.500 1.00 10.34 C ATOM 1615 C ASP A 102 2.308 -2.083 9.811 1.00 42.14 C ATOM 1616 O ASP A 102 3.253 -2.769 10.213 1.00 61.33 O ATOM 1617 CB ASP A 102 2.598 -0.709 11.892 1.00 31.15 C ATOM 1618 CG ASP A 102 2.454 0.593 12.674 1.00 33.42 C ATOM 1619 OD1 ASP A 102 1.390 0.769 13.316 1.00 53.10 O ATOM 1620 OD2 ASP A 102 3.422 1.386 12.705 1.00 33.12 O ATOM 0 H ASP A 102 0.095 -1.015 11.463 1.00 13.52 H new ATOM 0 HA ASP A 102 2.276 0.067 9.874 1.00 10.34 H new ATOM 0 HB2 ASP A 102 2.187 -1.518 12.496 1.00 31.15 H new ATOM 0 HB3 ASP A 102 3.661 -0.915 11.763 1.00 31.15 H new ATOM 1625 N LYS A 103 1.538 -2.532 8.822 1.00 13.32 N ATOM 1626 CA LYS A 103 1.600 -3.917 8.329 1.00 24.34 C ATOM 1627 C LYS A 103 2.783 -4.178 7.387 1.00 51.12 C ATOM 1628 O LYS A 103 3.508 -3.250 7.008 1.00 1.44 O ATOM 1629 CB LYS A 103 0.276 -4.280 7.651 1.00 43.13 C ATOM 1630 CG LYS A 103 0.031 -3.467 6.386 1.00 10.15 C ATOM 1631 CD LYS A 103 -1.035 -2.408 6.683 1.00 25.24 C ATOM 1632 CE LYS A 103 -1.089 -1.355 5.589 1.00 42.33 C ATOM 1633 NZ LYS A 103 -0.076 -0.302 5.834 1.00 71.40 N ATOM 0 H LYS A 103 0.853 -1.952 8.337 1.00 13.32 H new ATOM 0 HA LYS A 103 1.763 -4.558 9.195 1.00 24.34 H new ATOM 0 HB2 LYS A 103 0.276 -5.341 7.403 1.00 43.13 H new ATOM 0 HB3 LYS A 103 -0.544 -4.116 8.350 1.00 43.13 H new ATOM 0 HG2 LYS A 103 0.955 -2.991 6.057 1.00 10.15 H new ATOM 0 HG3 LYS A 103 -0.298 -4.118 5.576 1.00 10.15 H new ATOM 0 HD2 LYS A 103 -2.010 -2.887 6.778 1.00 25.24 H new ATOM 0 HD3 LYS A 103 -0.820 -1.931 7.639 1.00 25.24 H new ATOM 0 HE2 LYS A 103 -0.912 -1.820 4.619 1.00 42.33 H new ATOM 0 HE3 LYS A 103 -2.083 -0.910 5.553 1.00 42.33 H new ATOM 0 HZ1 LYS A 103 -0.518 0.634 5.735 1.00 71.40 H new ATOM 0 HZ2 LYS A 103 0.306 -0.405 6.796 1.00 71.40 H new ATOM 0 HZ3 LYS A 103 0.696 -0.395 5.143 1.00 71.40 H new ATOM 1647 N ARG A 104 2.921 -5.425 6.908 1.00 3.31 N ATOM 1648 CA ARG A 104 3.936 -5.789 5.925 1.00 52.40 C ATOM 1649 C ARG A 104 3.309 -6.463 4.709 1.00 3.42 C ATOM 1650 O ARG A 104 2.892 -7.617 4.760 1.00 10.24 O ATOM 1651 CB ARG A 104 5.020 -6.653 6.589 1.00 52.41 C ATOM 1652 CG ARG A 104 6.208 -6.956 5.662 1.00 1.22 C ATOM 1653 CD ARG A 104 7.198 -7.916 6.337 1.00 2.20 C ATOM 1654 NE ARG A 104 6.759 -9.320 6.227 1.00 13.22 N ATOM 1655 CZ ARG A 104 7.397 -10.379 6.743 1.00 63.30 C ATOM 1656 NH1 ARG A 104 8.499 -10.233 7.469 1.00 62.22 N ATOM 1657 NH2 ARG A 104 6.903 -11.593 6.539 1.00 45.23 N ATOM 0 H ARG A 104 2.329 -6.204 7.196 1.00 3.31 H new ATOM 0 HA ARG A 104 4.418 -4.884 5.555 1.00 52.40 H new ATOM 0 HB2 ARG A 104 5.385 -6.144 7.481 1.00 52.41 H new ATOM 0 HB3 ARG A 104 4.575 -7.592 6.917 1.00 52.41 H new ATOM 0 HG2 ARG A 104 5.846 -7.395 4.732 1.00 1.22 H new ATOM 0 HG3 ARG A 104 6.716 -6.028 5.400 1.00 1.22 H new ATOM 0 HD2 ARG A 104 8.181 -7.805 5.880 1.00 2.20 H new ATOM 0 HD3 ARG A 104 7.304 -7.649 7.389 1.00 2.20 H new ATOM 0 HE ARG A 104 5.896 -9.500 5.714 1.00 13.22 H new ATOM 0 HH11 ARG A 104 8.875 -9.301 7.643 1.00 62.22 H new ATOM 0 HH12 ARG A 104 8.969 -11.053 7.853 1.00 62.22 H new ATOM 0 HH21 ARG A 104 6.048 -11.711 5.995 1.00 45.23 H new ATOM 0 HH22 ARG A 104 7.378 -12.409 6.926 1.00 45.23 H new ATOM 1671 N LEU A 105 3.197 -5.717 3.617 1.00 43.32 N ATOM 1672 CA LEU A 105 2.589 -6.128 2.356 1.00 74.40 C ATOM 1673 C LEU A 105 3.499 -7.202 1.749 1.00 55.54 C ATOM 1674 O LEU A 105 4.724 -7.050 1.764 1.00 44.14 O ATOM 1675 CB LEU A 105 2.445 -4.896 1.434 1.00 64.01 C ATOM 1676 CG LEU A 105 1.345 -3.860 1.755 1.00 32.32 C ATOM 1677 CD1 LEU A 105 0.002 -4.253 1.183 1.00 74.02 C ATOM 1678 CD2 LEU A 105 1.357 -3.409 3.210 1.00 13.14 C ATOM 0 H LEU A 105 3.546 -4.759 3.585 1.00 43.32 H new ATOM 0 HA LEU A 105 1.590 -6.540 2.496 1.00 74.40 H new ATOM 0 HB2 LEU A 105 3.401 -4.373 1.428 1.00 64.01 H new ATOM 0 HB3 LEU A 105 2.273 -5.259 0.421 1.00 64.01 H new ATOM 0 HG LEU A 105 1.589 -2.942 1.221 1.00 32.32 H new ATOM 0 HD11 LEU A 105 -0.738 -3.493 1.436 1.00 74.02 H new ATOM 0 HD12 LEU A 105 0.079 -4.338 0.099 1.00 74.02 H new ATOM 0 HD13 LEU A 105 -0.305 -5.212 1.601 1.00 74.02 H new ATOM 0 HD21 LEU A 105 0.561 -2.682 3.372 1.00 13.14 H new ATOM 0 HD22 LEU A 105 1.199 -4.270 3.859 1.00 13.14 H new ATOM 0 HD23 LEU A 105 2.319 -2.952 3.441 1.00 13.14 H new ATOM 1690 N GLU A 106 2.917 -8.271 1.200 1.00 14.34 N ATOM 1691 CA GLU A 106 3.638 -9.506 0.855 1.00 22.35 C ATOM 1692 C GLU A 106 3.268 -10.045 -0.522 1.00 61.02 C ATOM 1693 O GLU A 106 3.028 -11.233 -0.731 1.00 72.11 O ATOM 1694 CB GLU A 106 3.450 -10.558 1.951 1.00 51.14 C ATOM 1695 CG GLU A 106 1.970 -10.957 2.095 1.00 0.22 C ATOM 1696 CD GLU A 106 1.790 -12.386 2.620 1.00 13.45 C ATOM 1697 OE1 GLU A 106 2.727 -12.917 3.264 1.00 62.11 O ATOM 1698 OE2 GLU A 106 0.757 -13.021 2.298 1.00 23.21 O ATOM 0 H GLU A 106 1.922 -8.307 0.979 1.00 14.34 H new ATOM 0 HA GLU A 106 4.698 -9.257 0.797 1.00 22.35 H new ATOM 0 HB2 GLU A 106 4.046 -11.440 1.717 1.00 51.14 H new ATOM 0 HB3 GLU A 106 3.818 -10.167 2.900 1.00 51.14 H new ATOM 0 HG2 GLU A 106 1.475 -10.261 2.772 1.00 0.22 H new ATOM 0 HG3 GLU A 106 1.478 -10.865 1.127 1.00 0.22 H new ATOM 1705 N LYS A 107 3.224 -9.115 -1.466 1.00 35.04 N ATOM 1706 CA LYS A 107 2.826 -9.311 -2.853 1.00 52.34 C ATOM 1707 C LYS A 107 1.352 -9.671 -2.935 1.00 3.31 C ATOM 1708 O LYS A 107 0.669 -9.630 -1.921 1.00 44.14 O ATOM 1709 CB LYS A 107 3.706 -10.384 -3.504 1.00 54.41 C ATOM 1710 CG LYS A 107 3.830 -10.232 -5.023 1.00 54.20 C ATOM 1711 CD LYS A 107 5.160 -9.625 -5.451 1.00 63.41 C ATOM 1712 CE LYS A 107 5.114 -8.132 -5.822 1.00 32.14 C ATOM 1713 NZ LYS A 107 6.236 -7.869 -6.743 1.00 72.02 N ATOM 0 H LYS A 107 3.480 -8.147 -1.273 1.00 35.04 H new ATOM 0 HA LYS A 107 2.968 -8.380 -3.403 1.00 52.34 H new ATOM 0 HB2 LYS A 107 4.701 -10.345 -3.060 1.00 54.41 H new ATOM 0 HB3 LYS A 107 3.294 -11.367 -3.277 1.00 54.41 H new ATOM 0 HG2 LYS A 107 3.715 -11.209 -5.492 1.00 54.20 H new ATOM 0 HG3 LYS A 107 3.016 -9.606 -5.388 1.00 54.20 H new ATOM 0 HD2 LYS A 107 5.879 -9.759 -4.642 1.00 63.41 H new ATOM 0 HD3 LYS A 107 5.536 -10.184 -6.308 1.00 63.41 H new ATOM 0 HE2 LYS A 107 4.164 -7.884 -6.295 1.00 32.14 H new ATOM 0 HE3 LYS A 107 5.198 -7.512 -4.929 1.00 32.14 H new ATOM 0 HZ1 LYS A 107 6.175 -6.892 -7.094 1.00 72.02 H new ATOM 0 HZ2 LYS A 107 7.136 -8.001 -6.240 1.00 72.02 H new ATOM 0 HZ3 LYS A 107 6.188 -8.529 -7.546 1.00 72.02 H new ATOM 1727 N TYR A 108 0.787 -9.946 -4.106 1.00 35.35 N ATOM 1728 CA TYR A 108 -0.543 -10.525 -4.176 1.00 51.21 C ATOM 1729 C TYR A 108 -0.395 -12.012 -3.882 1.00 55.12 C ATOM 1730 O TYR A 108 -0.319 -12.817 -4.805 1.00 42.53 O ATOM 1731 CB TYR A 108 -1.226 -10.228 -5.512 1.00 32.24 C ATOM 1732 CG TYR A 108 -2.649 -10.733 -5.553 1.00 54.41 C ATOM 1733 CD1 TYR A 108 -3.591 -10.213 -4.648 1.00 51.12 C ATOM 1734 CD2 TYR A 108 -3.014 -11.770 -6.431 1.00 43.42 C ATOM 1735 CE1 TYR A 108 -4.880 -10.763 -4.596 1.00 51.52 C ATOM 1736 CE2 TYR A 108 -4.304 -12.326 -6.375 1.00 23.03 C ATOM 1737 CZ TYR A 108 -5.236 -11.834 -5.439 1.00 21.35 C ATOM 1738 OH TYR A 108 -6.477 -12.377 -5.341 1.00 74.34 O ATOM 0 H TYR A 108 1.228 -9.778 -5.010 1.00 35.35 H new ATOM 0 HA TYR A 108 -1.206 -10.076 -3.436 1.00 51.21 H new ATOM 0 HB2 TYR A 108 -1.219 -9.153 -5.690 1.00 32.24 H new ATOM 0 HB3 TYR A 108 -0.656 -10.688 -6.319 1.00 32.24 H new ATOM 0 HD1 TYR A 108 -3.323 -9.394 -3.996 1.00 51.12 H new ATOM 0 HD2 TYR A 108 -2.300 -12.141 -7.151 1.00 43.42 H new ATOM 0 HE1 TYR A 108 -5.606 -10.362 -3.904 1.00 51.52 H new ATOM 0 HE2 TYR A 108 -4.580 -13.126 -7.046 1.00 23.03 H new ATOM 0 HH TYR A 108 -6.568 -13.105 -5.991 1.00 74.34 H new ATOM 1748 N ASN A 109 -0.322 -12.346 -2.594 1.00 62.21 N ATOM 1749 CA ASN A 109 0.040 -13.661 -2.073 1.00 13.41 C ATOM 1750 C ASN A 109 1.383 -14.158 -2.628 1.00 15.24 C ATOM 1751 O ASN A 109 1.410 -14.957 -3.564 1.00 63.34 O ATOM 1752 CB ASN A 109 -1.096 -14.677 -2.285 1.00 1.11 C ATOM 1753 CG ASN A 109 -0.807 -15.988 -1.563 1.00 3.35 C ATOM 1754 OD1 ASN A 109 -1.295 -16.199 -0.455 1.00 1.31 O ATOM 1755 ND2 ASN A 109 -0.028 -16.881 -2.142 1.00 15.23 N ATOM 0 H ASN A 109 -0.523 -11.675 -1.852 1.00 62.21 H new ATOM 0 HA ASN A 109 0.180 -13.556 -0.997 1.00 13.41 H new ATOM 0 HB2 ASN A 109 -2.034 -14.258 -1.921 1.00 1.11 H new ATOM 0 HB3 ASN A 109 -1.223 -14.866 -3.351 1.00 1.11 H new ATOM 0 HD21 ASN A 109 0.177 -17.762 -1.670 1.00 15.23 H new ATOM 0 HD22 ASN A 109 0.369 -16.691 -3.062 1.00 15.23 H new ATOM 1762 N ASP A 110 2.463 -13.740 -1.963 1.00 33.43 N ATOM 1763 CA ASP A 110 3.829 -14.260 -2.029 1.00 51.33 C ATOM 1764 C ASP A 110 4.485 -14.053 -3.387 1.00 63.32 C ATOM 1765 O ASP A 110 5.325 -13.140 -3.483 1.00 3.43 O ATOM 1766 CB ASP A 110 3.860 -15.708 -1.541 1.00 33.21 C ATOM 1767 CG ASP A 110 5.270 -16.293 -1.537 1.00 73.44 C ATOM 1768 OD1 ASP A 110 6.028 -16.007 -0.579 1.00 63.02 O ATOM 1769 OD2 ASP A 110 5.598 -17.114 -2.426 1.00 41.42 O ATOM 0 H ASP A 110 2.397 -12.961 -1.308 1.00 33.43 H new ATOM 0 HA ASP A 110 4.449 -13.674 -1.351 1.00 51.33 H new ATOM 0 HB2 ASP A 110 3.447 -15.758 -0.534 1.00 33.21 H new ATOM 0 HB3 ASP A 110 3.219 -16.317 -2.179 1.00 33.21 H new TER 1774 ASP A 110