USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 79 LYS NZ :NH3+ 177:sc= 0.701 (180deg=0.67) USER MOD Set 1.2: A 100 HIS : no HE2:sc= 0 X(o=0.7,f=0.45) USER MOD Set 2.1: A 58 MET CE :methyl -154:sc= -0.234 (180deg=-2.45) USER MOD Set 2.2: A 70 MET CE :methyl 169:sc= 0 (180deg=-0.315) USER MOD Set 3.1: A 63 LYS NZ :NH3+ 141:sc= 1.72 (180deg=0.273) USER MOD Set 3.2: A 93 TYR OH : rot 180:sc= 0.725 USER MOD Single : A 1 MET CE :methyl -122:sc= -1.94 (180deg=-4.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 0.768 (180deg=0.453) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00105) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.0884 (180deg=-0.854) USER MOD Single : A 20 THR OG1 : rot -34:sc= 0.351 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0.625 (180deg=0.273) USER MOD Single : A 49 ASN : amide:sc=-0.00132 X(o=-0.0013,f=0) USER MOD Single : A 50 MET CE :methyl -160:sc= -0.193 (180deg=-0.999) USER MOD Single : A 53 LYS NZ :NH3+ -105:sc= 0.169 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 61 MET CE :methyl -149:sc= -0.521 (180deg=-1.26) USER MOD Single : A 62 TYR OH : rot 64:sc= 0.303 USER MOD Single : A 67 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.7!) USER MOD Single : A 72 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.0038) USER MOD Single : A 82 LYS NZ :NH3+ 138:sc= 0.77 (180deg=0.0419) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.262 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=-0.0059) USER MOD Single : A 97 HIS : no HE2:sc= -0.64 K(o=-0.64,f=-1.6) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 99 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.44) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.675 -20.216 8.048 1.00 45.01 N ATOM 2 CA MET A 1 -8.632 -19.424 7.348 1.00 51.43 C ATOM 3 C MET A 1 -7.231 -19.791 7.874 1.00 42.13 C ATOM 4 O MET A 1 -7.028 -19.850 9.092 1.00 74.23 O ATOM 5 CB MET A 1 -8.909 -17.904 7.524 1.00 10.43 C ATOM 6 CG MET A 1 -7.958 -16.988 6.741 1.00 33.31 C ATOM 7 SD MET A 1 -8.390 -15.244 6.880 1.00 1.54 S ATOM 8 CE MET A 1 -7.325 -14.533 5.629 1.00 52.35 C ATOM 0 H1 MET A 1 -10.613 -19.956 7.681 1.00 45.01 H new ATOM 0 H2 MET A 1 -9.509 -21.230 7.886 1.00 45.01 H new ATOM 0 H3 MET A 1 -9.635 -20.018 9.068 1.00 45.01 H new ATOM 0 HA MET A 1 -8.665 -19.661 6.284 1.00 51.43 H new ATOM 0 HB2 MET A 1 -9.932 -17.696 7.212 1.00 10.43 H new ATOM 0 HB3 MET A 1 -8.842 -17.656 8.583 1.00 10.43 H new ATOM 0 HG2 MET A 1 -6.940 -17.135 7.103 1.00 33.31 H new ATOM 0 HG3 MET A 1 -7.967 -17.277 5.690 1.00 33.31 H new ATOM 0 HE1 MET A 1 -6.676 -13.786 6.086 1.00 52.35 H new ATOM 0 HE2 MET A 1 -6.715 -15.318 5.181 1.00 52.35 H new ATOM 0 HE3 MET A 1 -7.934 -14.062 4.857 1.00 52.35 H new ATOM 20 N GLN A 2 -6.281 -20.037 6.946 1.00 44.23 N ATOM 21 CA GLN A 2 -4.883 -20.384 7.286 1.00 55.43 C ATOM 22 C GLN A 2 -4.174 -19.221 8.031 1.00 10.43 C ATOM 23 O GLN A 2 -4.438 -18.041 7.757 1.00 22.12 O ATOM 24 CB GLN A 2 -4.099 -20.766 5.998 1.00 61.33 C ATOM 25 CG GLN A 2 -2.616 -21.166 6.214 1.00 43.42 C ATOM 26 CD GLN A 2 -1.851 -21.547 4.935 1.00 2.02 C ATOM 27 OE1 GLN A 2 -0.945 -22.372 4.963 1.00 12.21 O ATOM 28 NE2 GLN A 2 -2.182 -20.939 3.808 1.00 71.30 N ATOM 0 H GLN A 2 -6.460 -20.001 5.943 1.00 44.23 H new ATOM 0 HA GLN A 2 -4.902 -21.242 7.958 1.00 55.43 H new ATOM 0 HB2 GLN A 2 -4.614 -21.595 5.512 1.00 61.33 H new ATOM 0 HB3 GLN A 2 -4.133 -19.922 5.309 1.00 61.33 H new ATOM 0 HG2 GLN A 2 -2.098 -20.336 6.695 1.00 43.42 H new ATOM 0 HG3 GLN A 2 -2.580 -22.008 6.905 1.00 43.42 H new ATOM 0 HE21 GLN A 2 -2.938 -20.255 3.801 1.00 71.30 H new ATOM 0 HE22 GLN A 2 -1.681 -21.154 2.946 1.00 71.30 H new ATOM 37 N GLU A 3 -3.283 -19.587 8.971 1.00 24.24 N ATOM 38 CA GLU A 3 -2.462 -18.644 9.762 1.00 25.14 C ATOM 39 C GLU A 3 -1.683 -17.669 8.838 1.00 71.13 C ATOM 40 O GLU A 3 -1.881 -16.461 8.921 1.00 42.50 O ATOM 41 CB GLU A 3 -1.529 -19.480 10.701 1.00 3.24 C ATOM 42 CG GLU A 3 -0.593 -18.692 11.674 1.00 10.44 C ATOM 43 CD GLU A 3 0.794 -18.307 11.098 1.00 3.42 C ATOM 44 OE1 GLU A 3 1.247 -18.929 10.110 1.00 10.21 O ATOM 45 OE2 GLU A 3 1.447 -17.395 11.652 1.00 61.45 O ATOM 0 H GLU A 3 -3.108 -20.564 9.208 1.00 24.24 H new ATOM 0 HA GLU A 3 -3.096 -18.009 10.381 1.00 25.14 H new ATOM 0 HB2 GLU A 3 -2.157 -20.140 11.299 1.00 3.24 H new ATOM 0 HB3 GLU A 3 -0.904 -20.117 10.075 1.00 3.24 H new ATOM 0 HG2 GLU A 3 -1.104 -17.781 11.984 1.00 10.44 H new ATOM 0 HG3 GLU A 3 -0.441 -19.293 12.571 1.00 10.44 H new ATOM 52 N GLU A 4 -0.854 -18.223 7.925 1.00 45.32 N ATOM 53 CA GLU A 4 -0.077 -17.440 6.918 1.00 10.52 C ATOM 54 C GLU A 4 -0.963 -16.502 6.054 1.00 41.11 C ATOM 55 O GLU A 4 -0.559 -15.380 5.734 1.00 72.32 O ATOM 56 CB GLU A 4 0.710 -18.415 5.999 1.00 75.53 C ATOM 57 CG GLU A 4 1.809 -19.218 6.723 1.00 40.22 C ATOM 58 CD GLU A 4 2.414 -20.341 5.867 1.00 42.43 C ATOM 59 OE1 GLU A 4 3.286 -20.057 5.009 1.00 51.33 O ATOM 60 OE2 GLU A 4 2.020 -21.515 6.047 1.00 22.43 O ATOM 0 H GLU A 4 -0.699 -19.229 7.860 1.00 45.32 H new ATOM 0 HA GLU A 4 0.608 -16.798 7.473 1.00 10.52 H new ATOM 0 HB2 GLU A 4 0.008 -19.112 5.542 1.00 75.53 H new ATOM 0 HB3 GLU A 4 1.166 -17.845 5.189 1.00 75.53 H new ATOM 0 HG2 GLU A 4 2.603 -18.537 7.029 1.00 40.22 H new ATOM 0 HG3 GLU A 4 1.392 -19.650 7.633 1.00 40.22 H new ATOM 67 N ARG A 5 -2.179 -16.974 5.704 1.00 31.13 N ATOM 68 CA ARG A 5 -3.155 -16.203 4.890 1.00 43.03 C ATOM 69 C ARG A 5 -3.592 -14.909 5.647 1.00 40.31 C ATOM 70 O ARG A 5 -3.713 -13.832 5.052 1.00 35.44 O ATOM 71 CB ARG A 5 -4.385 -17.122 4.528 1.00 25.10 C ATOM 72 CG ARG A 5 -4.819 -17.144 3.033 1.00 12.30 C ATOM 73 CD ARG A 5 -5.541 -15.864 2.549 1.00 70.01 C ATOM 74 NE ARG A 5 -4.631 -14.720 2.365 1.00 64.00 N ATOM 75 CZ ARG A 5 -4.951 -13.571 1.810 1.00 15.30 C ATOM 76 NH1 ARG A 5 -6.158 -13.334 1.387 1.00 11.50 N ATOM 77 NH2 ARG A 5 -4.047 -12.652 1.690 1.00 13.33 N ATOM 0 H ARG A 5 -2.515 -17.898 5.975 1.00 31.13 H new ATOM 0 HA ARG A 5 -2.687 -15.887 3.958 1.00 43.03 H new ATOM 0 HB2 ARG A 5 -4.149 -18.142 4.830 1.00 25.10 H new ATOM 0 HB3 ARG A 5 -5.238 -16.802 5.126 1.00 25.10 H new ATOM 0 HG2 ARG A 5 -3.935 -17.302 2.415 1.00 12.30 H new ATOM 0 HG3 ARG A 5 -5.477 -17.998 2.873 1.00 12.30 H new ATOM 0 HD2 ARG A 5 -6.046 -16.074 1.606 1.00 70.01 H new ATOM 0 HD3 ARG A 5 -6.312 -15.594 3.271 1.00 70.01 H new ATOM 0 HE ARG A 5 -3.672 -14.828 2.696 1.00 64.00 H new ATOM 0 HH11 ARG A 5 -6.881 -14.047 1.482 1.00 11.50 H new ATOM 0 HH12 ARG A 5 -6.381 -12.435 0.960 1.00 11.50 H new ATOM 0 HH21 ARG A 5 -3.099 -12.823 2.024 1.00 13.33 H new ATOM 0 HH22 ARG A 5 -4.283 -11.757 1.261 1.00 13.33 H new ATOM 91 N LYS A 6 -3.810 -15.050 6.970 1.00 5.45 N ATOM 92 CA LYS A 6 -4.151 -13.930 7.883 1.00 51.01 C ATOM 93 C LYS A 6 -2.938 -12.981 8.128 1.00 3.42 C ATOM 94 O LYS A 6 -3.109 -11.766 8.287 1.00 63.54 O ATOM 95 CB LYS A 6 -4.687 -14.515 9.228 1.00 21.03 C ATOM 96 CG LYS A 6 -4.999 -13.482 10.346 1.00 33.24 C ATOM 97 CD LYS A 6 -6.114 -12.468 9.983 1.00 73.24 C ATOM 98 CE LYS A 6 -7.501 -13.115 9.799 1.00 73.41 C ATOM 99 NZ LYS A 6 -8.560 -12.091 9.547 1.00 12.43 N ATOM 0 H LYS A 6 -3.755 -15.952 7.444 1.00 5.45 H new ATOM 0 HA LYS A 6 -4.925 -13.323 7.413 1.00 51.01 H new ATOM 0 HB2 LYS A 6 -5.596 -15.079 9.019 1.00 21.03 H new ATOM 0 HB3 LYS A 6 -3.953 -15.224 9.611 1.00 21.03 H new ATOM 0 HG2 LYS A 6 -5.291 -14.018 11.249 1.00 33.24 H new ATOM 0 HG3 LYS A 6 -4.087 -12.933 10.582 1.00 33.24 H new ATOM 0 HD2 LYS A 6 -6.176 -11.713 10.767 1.00 73.24 H new ATOM 0 HD3 LYS A 6 -5.838 -11.952 9.064 1.00 73.24 H new ATOM 0 HE2 LYS A 6 -7.468 -13.817 8.965 1.00 73.41 H new ATOM 0 HE3 LYS A 6 -7.755 -13.690 10.689 1.00 73.41 H new ATOM 0 HZ1 LYS A 6 -9.479 -12.564 9.428 1.00 12.43 H new ATOM 0 HZ2 LYS A 6 -8.609 -11.436 10.354 1.00 12.43 H new ATOM 0 HZ3 LYS A 6 -8.330 -11.559 8.683 1.00 12.43 H new ATOM 113 N LYS A 7 -1.714 -13.541 8.164 1.00 73.34 N ATOM 114 CA LYS A 7 -0.485 -12.760 8.474 1.00 44.04 C ATOM 115 C LYS A 7 -0.047 -11.870 7.293 1.00 4.22 C ATOM 116 O LYS A 7 0.582 -10.827 7.496 1.00 35.43 O ATOM 117 CB LYS A 7 0.670 -13.682 8.948 1.00 2.21 C ATOM 118 CG LYS A 7 0.310 -14.608 10.140 1.00 10.24 C ATOM 119 CD LYS A 7 -0.581 -13.926 11.210 1.00 3.15 C ATOM 120 CE LYS A 7 -0.916 -14.841 12.395 1.00 73.31 C ATOM 121 NZ LYS A 7 0.289 -15.176 13.198 1.00 3.45 N ATOM 0 H LYS A 7 -1.542 -14.530 7.983 1.00 73.34 H new ATOM 0 HA LYS A 7 -0.735 -12.092 9.298 1.00 44.04 H new ATOM 0 HB2 LYS A 7 0.992 -14.300 8.109 1.00 2.21 H new ATOM 0 HB3 LYS A 7 1.520 -13.061 9.231 1.00 2.21 H new ATOM 0 HG2 LYS A 7 -0.204 -15.491 9.761 1.00 10.24 H new ATOM 0 HG3 LYS A 7 1.230 -14.953 10.612 1.00 10.24 H new ATOM 0 HD2 LYS A 7 -0.074 -13.035 11.580 1.00 3.15 H new ATOM 0 HD3 LYS A 7 -1.508 -13.594 10.743 1.00 3.15 H new ATOM 0 HE2 LYS A 7 -1.653 -14.353 13.033 1.00 73.31 H new ATOM 0 HE3 LYS A 7 -1.373 -15.759 12.026 1.00 73.31 H new ATOM 0 HZ1 LYS A 7 0.001 -15.445 14.160 1.00 3.45 H new ATOM 0 HZ2 LYS A 7 0.793 -15.969 12.753 1.00 3.45 H new ATOM 0 HZ3 LYS A 7 0.917 -14.348 13.243 1.00 3.45 H new ATOM 135 N LEU A 8 -0.359 -12.301 6.057 1.00 14.22 N ATOM 136 CA LEU A 8 -0.226 -11.439 4.859 1.00 13.44 C ATOM 137 C LEU A 8 -1.188 -10.228 4.910 1.00 54.41 C ATOM 138 O LEU A 8 -0.903 -9.196 4.307 1.00 24.41 O ATOM 139 CB LEU A 8 -0.393 -12.249 3.535 1.00 33.02 C ATOM 140 CG LEU A 8 0.934 -12.797 2.906 1.00 2.52 C ATOM 141 CD1 LEU A 8 1.898 -11.636 2.559 1.00 63.03 C ATOM 142 CD2 LEU A 8 1.615 -13.844 3.820 1.00 25.12 C ATOM 0 H LEU A 8 -0.705 -13.240 5.858 1.00 14.22 H new ATOM 0 HA LEU A 8 0.790 -11.044 4.867 1.00 13.44 H new ATOM 0 HB2 LEU A 8 -1.058 -13.091 3.726 1.00 33.02 H new ATOM 0 HB3 LEU A 8 -0.887 -11.613 2.800 1.00 33.02 H new ATOM 0 HG LEU A 8 0.673 -13.308 1.979 1.00 2.52 H new ATOM 0 HD11 LEU A 8 2.812 -12.040 2.124 1.00 63.03 H new ATOM 0 HD12 LEU A 8 1.420 -10.968 1.843 1.00 63.03 H new ATOM 0 HD13 LEU A 8 2.142 -11.082 3.466 1.00 63.03 H new ATOM 0 HD21 LEU A 8 2.531 -14.199 3.347 1.00 25.12 H new ATOM 0 HD22 LEU A 8 1.855 -13.387 4.780 1.00 25.12 H new ATOM 0 HD23 LEU A 8 0.939 -14.684 3.977 1.00 25.12 H new ATOM 154 N LEU A 9 -2.331 -10.364 5.614 1.00 71.44 N ATOM 155 CA LEU A 9 -3.240 -9.214 5.862 1.00 12.54 C ATOM 156 C LEU A 9 -2.596 -8.198 6.850 1.00 63.14 C ATOM 157 O LEU A 9 -2.852 -6.991 6.771 1.00 4.34 O ATOM 158 CB LEU A 9 -4.618 -9.686 6.390 1.00 35.44 C ATOM 159 CG LEU A 9 -5.362 -10.779 5.549 1.00 1.21 C ATOM 160 CD1 LEU A 9 -6.793 -11.002 6.089 1.00 53.25 C ATOM 161 CD2 LEU A 9 -5.384 -10.446 4.034 1.00 34.42 C ATOM 0 H LEU A 9 -2.648 -11.245 6.018 1.00 71.44 H new ATOM 0 HA LEU A 9 -3.400 -8.712 4.908 1.00 12.54 H new ATOM 0 HB2 LEU A 9 -4.481 -10.071 7.401 1.00 35.44 H new ATOM 0 HB3 LEU A 9 -5.269 -8.815 6.466 1.00 35.44 H new ATOM 0 HG LEU A 9 -4.800 -11.707 5.658 1.00 1.21 H new ATOM 0 HD11 LEU A 9 -7.293 -11.765 5.491 1.00 53.25 H new ATOM 0 HD12 LEU A 9 -6.743 -11.330 7.127 1.00 53.25 H new ATOM 0 HD13 LEU A 9 -7.354 -10.069 6.029 1.00 53.25 H new ATOM 0 HD21 LEU A 9 -5.911 -11.234 3.496 1.00 34.42 H new ATOM 0 HD22 LEU A 9 -5.895 -9.496 3.878 1.00 34.42 H new ATOM 0 HD23 LEU A 9 -4.362 -10.374 3.662 1.00 34.42 H new ATOM 173 N GLU A 10 -1.755 -8.713 7.779 1.00 11.13 N ATOM 174 CA GLU A 10 -0.915 -7.864 8.664 1.00 32.33 C ATOM 175 C GLU A 10 0.244 -7.210 7.875 1.00 70.41 C ATOM 176 O GLU A 10 0.732 -6.148 8.256 1.00 50.11 O ATOM 177 CB GLU A 10 -0.330 -8.666 9.857 1.00 2.21 C ATOM 178 CG GLU A 10 -1.364 -9.240 10.845 1.00 43.43 C ATOM 179 CD GLU A 10 -0.715 -9.744 12.148 1.00 52.52 C ATOM 180 OE1 GLU A 10 -0.097 -10.822 12.136 1.00 43.14 O ATOM 181 OE2 GLU A 10 -0.773 -9.030 13.174 1.00 2.13 O ATOM 0 H GLU A 10 -1.639 -9.714 7.936 1.00 11.13 H new ATOM 0 HA GLU A 10 -1.570 -7.087 9.057 1.00 32.33 H new ATOM 0 HB2 GLU A 10 0.264 -9.490 9.461 1.00 2.21 H new ATOM 0 HB3 GLU A 10 0.351 -8.018 10.408 1.00 2.21 H new ATOM 0 HG2 GLU A 10 -2.100 -8.472 11.083 1.00 43.43 H new ATOM 0 HG3 GLU A 10 -1.901 -10.060 10.369 1.00 43.43 H new ATOM 188 N LYS A 11 0.704 -7.887 6.802 1.00 3.05 N ATOM 189 CA LYS A 11 1.728 -7.349 5.874 1.00 2.22 C ATOM 190 C LYS A 11 1.195 -6.092 5.128 1.00 13.10 C ATOM 191 O LYS A 11 1.968 -5.181 4.814 1.00 65.42 O ATOM 192 CB LYS A 11 2.170 -8.465 4.885 1.00 11.04 C ATOM 193 CG LYS A 11 3.267 -8.101 3.843 1.00 30.25 C ATOM 194 CD LYS A 11 4.729 -8.247 4.339 1.00 62.32 C ATOM 195 CE LYS A 11 5.214 -7.109 5.253 1.00 50.15 C ATOM 196 NZ LYS A 11 6.665 -7.245 5.569 1.00 21.22 N ATOM 0 H LYS A 11 0.378 -8.821 6.552 1.00 3.05 H new ATOM 0 HA LYS A 11 2.601 -7.032 6.445 1.00 2.22 H new ATOM 0 HB2 LYS A 11 2.528 -9.312 5.470 1.00 11.04 H new ATOM 0 HB3 LYS A 11 1.288 -8.803 4.342 1.00 11.04 H new ATOM 0 HG2 LYS A 11 3.134 -8.733 2.965 1.00 30.25 H new ATOM 0 HG3 LYS A 11 3.111 -7.071 3.521 1.00 30.25 H new ATOM 0 HD2 LYS A 11 4.824 -9.191 4.876 1.00 62.32 H new ATOM 0 HD3 LYS A 11 5.388 -8.305 3.473 1.00 62.32 H new ATOM 0 HE2 LYS A 11 5.034 -6.149 4.768 1.00 50.15 H new ATOM 0 HE3 LYS A 11 4.637 -7.112 6.178 1.00 50.15 H new ATOM 0 HZ1 LYS A 11 6.953 -6.482 6.214 1.00 21.22 H new ATOM 0 HZ2 LYS A 11 6.837 -8.165 6.023 1.00 21.22 H new ATOM 0 HZ3 LYS A 11 7.219 -7.183 4.691 1.00 21.22 H new ATOM 210 N LEU A 12 -0.138 -6.050 4.865 1.00 22.24 N ATOM 211 CA LEU A 12 -0.832 -4.803 4.426 1.00 31.21 C ATOM 212 C LEU A 12 -0.664 -3.696 5.487 1.00 61.44 C ATOM 213 O LEU A 12 -0.122 -2.639 5.203 1.00 25.55 O ATOM 214 CB LEU A 12 -2.364 -5.030 4.166 1.00 10.13 C ATOM 215 CG LEU A 12 -2.775 -5.597 2.772 1.00 44.23 C ATOM 216 CD1 LEU A 12 -2.314 -4.660 1.629 1.00 73.21 C ATOM 217 CD2 LEU A 12 -2.274 -7.037 2.570 1.00 2.22 C ATOM 0 H LEU A 12 -0.753 -6.859 4.948 1.00 22.24 H new ATOM 0 HA LEU A 12 -0.369 -4.501 3.486 1.00 31.21 H new ATOM 0 HB2 LEU A 12 -2.739 -5.710 4.931 1.00 10.13 H new ATOM 0 HB3 LEU A 12 -2.875 -4.078 4.307 1.00 10.13 H new ATOM 0 HG LEU A 12 -3.864 -5.637 2.743 1.00 44.23 H new ATOM 0 HD11 LEU A 12 -2.614 -5.081 0.670 1.00 73.21 H new ATOM 0 HD12 LEU A 12 -2.773 -3.680 1.755 1.00 73.21 H new ATOM 0 HD13 LEU A 12 -1.229 -4.559 1.657 1.00 73.21 H new ATOM 0 HD21 LEU A 12 -2.581 -7.395 1.587 1.00 2.22 H new ATOM 0 HD22 LEU A 12 -1.186 -7.057 2.640 1.00 2.22 H new ATOM 0 HD23 LEU A 12 -2.699 -7.681 3.340 1.00 2.22 H new ATOM 229 N GLU A 13 -1.090 -3.995 6.720 1.00 23.11 N ATOM 230 CA GLU A 13 -1.064 -3.043 7.860 1.00 52.52 C ATOM 231 C GLU A 13 0.375 -2.555 8.180 1.00 63.52 C ATOM 232 O GLU A 13 0.563 -1.452 8.687 1.00 61.04 O ATOM 233 CB GLU A 13 -1.713 -3.709 9.100 1.00 44.41 C ATOM 234 CG GLU A 13 -3.151 -4.233 8.857 1.00 35.22 C ATOM 235 CD GLU A 13 -3.749 -4.971 10.072 1.00 15.34 C ATOM 236 OE1 GLU A 13 -3.328 -6.114 10.348 1.00 71.33 O ATOM 237 OE2 GLU A 13 -4.634 -4.412 10.754 1.00 50.51 O ATOM 0 H GLU A 13 -1.467 -4.910 6.967 1.00 23.11 H new ATOM 0 HA GLU A 13 -1.637 -2.159 7.581 1.00 52.52 H new ATOM 0 HB2 GLU A 13 -1.085 -4.539 9.423 1.00 44.41 H new ATOM 0 HB3 GLU A 13 -1.734 -2.988 9.917 1.00 44.41 H new ATOM 0 HG2 GLU A 13 -3.796 -3.394 8.598 1.00 35.22 H new ATOM 0 HG3 GLU A 13 -3.144 -4.906 8.000 1.00 35.22 H new ATOM 244 N LYS A 14 1.371 -3.412 7.890 1.00 62.44 N ATOM 245 CA LYS A 14 2.809 -3.113 8.093 1.00 54.01 C ATOM 246 C LYS A 14 3.314 -2.111 7.015 1.00 12.52 C ATOM 247 O LYS A 14 3.820 -1.039 7.348 1.00 1.11 O ATOM 248 CB LYS A 14 3.610 -4.462 8.050 1.00 62.33 C ATOM 249 CG LYS A 14 5.009 -4.503 8.761 1.00 51.44 C ATOM 250 CD LYS A 14 6.250 -4.230 7.842 1.00 0.24 C ATOM 251 CE LYS A 14 6.639 -2.745 7.724 1.00 44.11 C ATOM 252 NZ LYS A 14 6.965 -2.140 9.044 1.00 30.14 N ATOM 0 H LYS A 14 1.203 -4.341 7.504 1.00 62.44 H new ATOM 0 HA LYS A 14 2.962 -2.641 9.063 1.00 54.01 H new ATOM 0 HB2 LYS A 14 2.985 -5.237 8.494 1.00 62.33 H new ATOM 0 HB3 LYS A 14 3.757 -4.731 7.004 1.00 62.33 H new ATOM 0 HG2 LYS A 14 5.008 -3.768 9.566 1.00 51.44 H new ATOM 0 HG3 LYS A 14 5.132 -5.482 9.224 1.00 51.44 H new ATOM 0 HD2 LYS A 14 7.103 -4.787 8.229 1.00 0.24 H new ATOM 0 HD3 LYS A 14 6.041 -4.619 6.845 1.00 0.24 H new ATOM 0 HE2 LYS A 14 7.498 -2.648 7.060 1.00 44.11 H new ATOM 0 HE3 LYS A 14 5.819 -2.192 7.266 1.00 44.11 H new ATOM 0 HZ1 LYS A 14 7.614 -1.339 8.908 1.00 30.14 H new ATOM 0 HZ2 LYS A 14 6.091 -1.804 9.497 1.00 30.14 H new ATOM 0 HZ3 LYS A 14 7.418 -2.853 9.651 1.00 30.14 H new ATOM 266 N ILE A 15 3.148 -2.475 5.724 1.00 64.34 N ATOM 267 CA ILE A 15 3.663 -1.690 4.565 1.00 70.24 C ATOM 268 C ILE A 15 2.912 -0.349 4.401 1.00 1.02 C ATOM 269 O ILE A 15 3.535 0.704 4.310 1.00 54.03 O ATOM 270 CB ILE A 15 3.576 -2.543 3.234 1.00 20.42 C ATOM 271 CG1 ILE A 15 4.538 -3.775 3.329 1.00 3.32 C ATOM 272 CG2 ILE A 15 3.865 -1.702 1.952 1.00 4.24 C ATOM 273 CD1 ILE A 15 4.489 -4.728 2.148 1.00 73.55 C ATOM 0 H ILE A 15 2.652 -3.323 5.449 1.00 64.34 H new ATOM 0 HA ILE A 15 4.709 -1.457 4.765 1.00 70.24 H new ATOM 0 HB ILE A 15 2.548 -2.893 3.138 1.00 20.42 H new ATOM 0 HG12 ILE A 15 5.559 -3.410 3.438 1.00 3.32 H new ATOM 0 HG13 ILE A 15 4.300 -4.332 4.235 1.00 3.32 H new ATOM 0 HG21 ILE A 15 3.790 -2.342 1.073 1.00 4.24 H new ATOM 0 HG22 ILE A 15 3.138 -0.894 1.875 1.00 4.24 H new ATOM 0 HG23 ILE A 15 4.869 -1.282 2.011 1.00 4.24 H new ATOM 0 HD11 ILE A 15 5.191 -5.546 2.311 1.00 73.55 H new ATOM 0 HD12 ILE A 15 3.481 -5.130 2.046 1.00 73.55 H new ATOM 0 HD13 ILE A 15 4.760 -4.193 1.238 1.00 73.55 H new ATOM 285 N LEU A 16 1.575 -0.416 4.388 1.00 65.33 N ATOM 286 CA LEU A 16 0.682 0.762 4.203 1.00 42.44 C ATOM 287 C LEU A 16 0.884 1.825 5.320 1.00 30.41 C ATOM 288 O LEU A 16 0.684 3.017 5.087 1.00 73.10 O ATOM 289 CB LEU A 16 -0.809 0.294 4.128 1.00 14.11 C ATOM 290 CG LEU A 16 -1.296 -0.341 2.766 1.00 22.04 C ATOM 291 CD1 LEU A 16 -0.345 -1.434 2.225 1.00 10.34 C ATOM 292 CD2 LEU A 16 -2.732 -0.899 2.897 1.00 1.30 C ATOM 0 H LEU A 16 1.066 -1.292 4.506 1.00 65.33 H new ATOM 0 HA LEU A 16 0.947 1.243 3.262 1.00 42.44 H new ATOM 0 HB2 LEU A 16 -0.975 -0.436 4.920 1.00 14.11 H new ATOM 0 HB3 LEU A 16 -1.444 1.152 4.348 1.00 14.11 H new ATOM 0 HG LEU A 16 -1.289 0.470 2.038 1.00 22.04 H new ATOM 0 HD11 LEU A 16 -0.739 -1.828 1.288 1.00 10.34 H new ATOM 0 HD12 LEU A 16 0.642 -1.005 2.052 1.00 10.34 H new ATOM 0 HD13 LEU A 16 -0.267 -2.241 2.953 1.00 10.34 H new ATOM 0 HD21 LEU A 16 -3.043 -1.330 1.946 1.00 1.30 H new ATOM 0 HD22 LEU A 16 -2.754 -1.668 3.669 1.00 1.30 H new ATOM 0 HD23 LEU A 16 -3.412 -0.092 3.169 1.00 1.30 H new ATOM 304 N ASP A 17 1.302 1.366 6.518 1.00 33.11 N ATOM 305 CA ASP A 17 1.661 2.252 7.655 1.00 1.34 C ATOM 306 C ASP A 17 2.924 3.099 7.336 1.00 51.55 C ATOM 307 O ASP A 17 2.993 4.291 7.669 1.00 71.10 O ATOM 308 CB ASP A 17 1.893 1.391 8.919 1.00 1.13 C ATOM 309 CG ASP A 17 2.240 2.211 10.169 1.00 62.43 C ATOM 310 OD1 ASP A 17 1.330 2.839 10.748 1.00 5.45 O ATOM 311 OD2 ASP A 17 3.422 2.237 10.579 1.00 21.33 O ATOM 0 H ASP A 17 1.401 0.373 6.728 1.00 33.11 H new ATOM 0 HA ASP A 17 0.838 2.945 7.830 1.00 1.34 H new ATOM 0 HB2 ASP A 17 0.996 0.804 9.118 1.00 1.13 H new ATOM 0 HB3 ASP A 17 2.700 0.684 8.723 1.00 1.13 H new ATOM 316 N GLU A 18 3.919 2.456 6.694 1.00 54.03 N ATOM 317 CA GLU A 18 5.155 3.132 6.235 1.00 35.22 C ATOM 318 C GLU A 18 4.829 4.189 5.147 1.00 42.14 C ATOM 319 O GLU A 18 5.462 5.244 5.078 1.00 24.54 O ATOM 320 CB GLU A 18 6.154 2.100 5.649 1.00 54.43 C ATOM 321 CG GLU A 18 6.402 0.831 6.483 1.00 53.31 C ATOM 322 CD GLU A 18 7.071 1.079 7.840 1.00 41.45 C ATOM 323 OE1 GLU A 18 8.286 1.361 7.871 1.00 62.13 O ATOM 324 OE2 GLU A 18 6.395 0.959 8.883 1.00 62.15 O ATOM 0 H GLU A 18 3.892 1.459 6.479 1.00 54.03 H new ATOM 0 HA GLU A 18 5.604 3.625 7.097 1.00 35.22 H new ATOM 0 HB2 GLU A 18 5.793 1.797 4.666 1.00 54.43 H new ATOM 0 HB3 GLU A 18 7.110 2.600 5.497 1.00 54.43 H new ATOM 0 HG2 GLU A 18 5.449 0.329 6.649 1.00 53.31 H new ATOM 0 HG3 GLU A 18 7.025 0.148 5.905 1.00 53.31 H new ATOM 331 N VAL A 19 3.829 3.861 4.302 1.00 35.30 N ATOM 332 CA VAL A 19 3.404 4.702 3.163 1.00 20.12 C ATOM 333 C VAL A 19 2.640 5.979 3.624 1.00 33.52 C ATOM 334 O VAL A 19 2.832 7.048 3.049 1.00 4.13 O ATOM 335 CB VAL A 19 2.495 3.887 2.163 1.00 71.12 C ATOM 336 CG1 VAL A 19 2.132 4.724 0.926 1.00 33.23 C ATOM 337 CG2 VAL A 19 3.159 2.565 1.730 1.00 50.40 C ATOM 0 H VAL A 19 3.290 3.000 4.392 1.00 35.30 H new ATOM 0 HA VAL A 19 4.317 5.013 2.656 1.00 20.12 H new ATOM 0 HB VAL A 19 1.578 3.645 2.701 1.00 71.12 H new ATOM 0 HG11 VAL A 19 1.506 4.133 0.258 1.00 33.23 H new ATOM 0 HG12 VAL A 19 1.589 5.617 1.237 1.00 33.23 H new ATOM 0 HG13 VAL A 19 3.043 5.017 0.405 1.00 33.23 H new ATOM 0 HG21 VAL A 19 2.500 2.035 1.042 1.00 50.40 H new ATOM 0 HG22 VAL A 19 4.106 2.779 1.234 1.00 50.40 H new ATOM 0 HG23 VAL A 19 3.342 1.945 2.608 1.00 50.40 H new ATOM 347 N THR A 20 1.770 5.850 4.658 1.00 54.42 N ATOM 348 CA THR A 20 0.962 6.993 5.184 1.00 24.23 C ATOM 349 C THR A 20 1.870 8.119 5.726 1.00 12.03 C ATOM 350 O THR A 20 1.752 9.279 5.323 1.00 0.13 O ATOM 351 CB THR A 20 -0.030 6.559 6.324 1.00 32.54 C ATOM 352 OG1 THR A 20 0.691 5.931 7.398 1.00 54.01 O ATOM 353 CG2 THR A 20 -1.126 5.610 5.810 1.00 21.10 C ATOM 0 H THR A 20 1.606 4.970 5.147 1.00 54.42 H new ATOM 0 HA THR A 20 0.380 7.357 4.337 1.00 24.23 H new ATOM 0 HB THR A 20 -0.518 7.463 6.687 1.00 32.54 H new ATOM 0 HG1 THR A 20 1.446 5.424 7.033 1.00 54.01 H new ATOM 0 HG21 THR A 20 -1.787 5.338 6.633 1.00 21.10 H new ATOM 0 HG22 THR A 20 -1.703 6.108 5.031 1.00 21.10 H new ATOM 0 HG23 THR A 20 -0.666 4.710 5.401 1.00 21.10 H new ATOM 361 N ASP A 21 2.787 7.749 6.629 1.00 43.40 N ATOM 362 CA ASP A 21 3.750 8.691 7.232 1.00 12.52 C ATOM 363 C ASP A 21 4.873 9.075 6.221 1.00 20.13 C ATOM 364 O ASP A 21 5.396 10.193 6.259 1.00 44.33 O ATOM 365 CB ASP A 21 4.328 8.062 8.524 1.00 12.50 C ATOM 366 CG ASP A 21 5.158 9.045 9.369 1.00 52.13 C ATOM 367 OD1 ASP A 21 4.562 9.943 10.010 1.00 74.32 O ATOM 368 OD2 ASP A 21 6.405 8.938 9.388 1.00 4.20 O ATOM 0 H ASP A 21 2.886 6.791 6.964 1.00 43.40 H new ATOM 0 HA ASP A 21 3.238 9.618 7.491 1.00 12.52 H new ATOM 0 HB2 ASP A 21 3.507 7.678 9.130 1.00 12.50 H new ATOM 0 HB3 ASP A 21 4.952 7.210 8.256 1.00 12.50 H new ATOM 373 N GLY A 22 5.214 8.138 5.308 1.00 13.55 N ATOM 374 CA GLY A 22 6.244 8.365 4.267 1.00 70.23 C ATOM 375 C GLY A 22 5.703 8.966 2.957 1.00 45.54 C ATOM 376 O GLY A 22 6.428 9.048 1.961 1.00 64.22 O ATOM 0 H GLY A 22 4.788 7.212 5.271 1.00 13.55 H new ATOM 0 HA2 GLY A 22 7.009 9.030 4.669 1.00 70.23 H new ATOM 0 HA3 GLY A 22 6.732 7.416 4.043 1.00 70.23 H new ATOM 380 N ALA A 23 4.427 9.387 2.969 1.00 42.04 N ATOM 381 CA ALA A 23 3.762 10.047 1.820 1.00 53.01 C ATOM 382 C ALA A 23 4.398 11.422 1.460 1.00 52.30 C ATOM 383 O ALA A 23 4.983 12.078 2.329 1.00 32.11 O ATOM 384 CB ALA A 23 2.272 10.230 2.138 1.00 51.32 C ATOM 0 H ALA A 23 3.818 9.280 3.781 1.00 42.04 H new ATOM 0 HA ALA A 23 3.894 9.402 0.951 1.00 53.01 H new ATOM 0 HB1 ALA A 23 1.777 10.715 1.297 1.00 51.32 H new ATOM 0 HB2 ALA A 23 1.815 9.256 2.315 1.00 51.32 H new ATOM 0 HB3 ALA A 23 2.163 10.849 3.029 1.00 51.32 H new ATOM 390 N PRO A 24 4.317 11.861 0.149 1.00 62.22 N ATOM 391 CA PRO A 24 4.745 13.216 -0.305 1.00 23.22 C ATOM 392 C PRO A 24 4.259 14.381 0.613 1.00 31.21 C ATOM 393 O PRO A 24 5.070 14.992 1.321 1.00 24.25 O ATOM 394 CB PRO A 24 4.130 13.311 -1.726 1.00 3.35 C ATOM 395 CG PRO A 24 4.140 11.899 -2.229 1.00 34.35 C ATOM 396 CD PRO A 24 3.866 11.032 -1.011 1.00 50.34 C ATOM 0 HA PRO A 24 5.829 13.326 -0.279 1.00 23.22 H new ATOM 0 HB2 PRO A 24 3.118 13.715 -1.695 1.00 3.35 H new ATOM 0 HB3 PRO A 24 4.716 13.967 -2.370 1.00 3.35 H new ATOM 0 HG2 PRO A 24 3.380 11.750 -2.996 1.00 34.35 H new ATOM 0 HG3 PRO A 24 5.101 11.650 -2.680 1.00 34.35 H new ATOM 0 HD2 PRO A 24 2.808 10.782 -0.932 1.00 50.34 H new ATOM 0 HD3 PRO A 24 4.413 10.091 -1.063 1.00 50.34 H new ATOM 404 N ASP A 25 2.933 14.656 0.602 1.00 2.34 N ATOM 405 CA ASP A 25 2.291 15.668 1.481 1.00 10.22 C ATOM 406 C ASP A 25 0.754 15.568 1.345 1.00 41.10 C ATOM 407 O ASP A 25 0.065 15.064 2.242 1.00 4.13 O ATOM 408 CB ASP A 25 2.788 17.104 1.136 1.00 51.23 C ATOM 409 CG ASP A 25 2.224 18.185 2.072 1.00 15.11 C ATOM 410 OD1 ASP A 25 2.722 18.314 3.211 1.00 2.41 O ATOM 411 OD2 ASP A 25 1.279 18.904 1.677 1.00 61.23 O ATOM 0 H ASP A 25 2.275 14.182 -0.017 1.00 2.34 H new ATOM 0 HA ASP A 25 2.570 15.466 2.515 1.00 10.22 H new ATOM 0 HB2 ASP A 25 3.877 17.125 1.183 1.00 51.23 H new ATOM 0 HB3 ASP A 25 2.509 17.341 0.109 1.00 51.23 H new ATOM 416 N GLU A 26 0.236 16.003 0.176 1.00 5.12 N ATOM 417 CA GLU A 26 -1.208 15.944 -0.161 1.00 74.40 C ATOM 418 C GLU A 26 -1.548 14.594 -0.872 1.00 23.22 C ATOM 419 O GLU A 26 -2.418 14.511 -1.747 1.00 51.13 O ATOM 420 CB GLU A 26 -1.580 17.177 -1.037 1.00 22.55 C ATOM 421 CG GLU A 26 -3.098 17.407 -1.203 1.00 23.12 C ATOM 422 CD GLU A 26 -3.439 18.560 -2.154 1.00 74.44 C ATOM 423 OE1 GLU A 26 -3.365 19.734 -1.731 1.00 13.35 O ATOM 424 OE2 GLU A 26 -3.789 18.301 -3.333 1.00 70.42 O ATOM 0 H GLU A 26 0.808 16.407 -0.565 1.00 5.12 H new ATOM 0 HA GLU A 26 -1.804 15.981 0.751 1.00 74.40 H new ATOM 0 HB2 GLU A 26 -1.136 18.069 -0.595 1.00 22.55 H new ATOM 0 HB3 GLU A 26 -1.133 17.054 -2.024 1.00 22.55 H new ATOM 0 HG2 GLU A 26 -3.558 16.491 -1.574 1.00 23.12 H new ATOM 0 HG3 GLU A 26 -3.536 17.610 -0.226 1.00 23.12 H new ATOM 431 N ALA A 27 -0.821 13.534 -0.490 1.00 25.25 N ATOM 432 CA ALA A 27 -1.113 12.150 -0.902 1.00 52.01 C ATOM 433 C ALA A 27 -1.502 11.286 0.316 1.00 11.53 C ATOM 434 O ALA A 27 -2.116 10.232 0.157 1.00 2.10 O ATOM 435 CB ALA A 27 0.095 11.568 -1.646 1.00 25.32 C ATOM 0 H ALA A 27 -0.006 13.612 0.119 1.00 25.25 H new ATOM 0 HA ALA A 27 -1.966 12.150 -1.581 1.00 52.01 H new ATOM 0 HB1 ALA A 27 -0.123 10.544 -1.950 1.00 25.32 H new ATOM 0 HB2 ALA A 27 0.304 12.172 -2.529 1.00 25.32 H new ATOM 0 HB3 ALA A 27 0.964 11.574 -0.989 1.00 25.32 H new ATOM 441 N ARG A 28 -1.179 11.777 1.538 1.00 22.20 N ATOM 442 CA ARG A 28 -1.345 11.011 2.793 1.00 72.10 C ATOM 443 C ARG A 28 -2.820 10.649 3.085 1.00 52.44 C ATOM 444 O ARG A 28 -3.108 9.499 3.397 1.00 44.34 O ATOM 445 CB ARG A 28 -0.711 11.770 3.997 1.00 75.23 C ATOM 446 CG ARG A 28 -0.983 11.107 5.370 1.00 62.13 C ATOM 447 CD ARG A 28 -0.259 11.769 6.553 1.00 54.40 C ATOM 448 NE ARG A 28 -0.811 11.286 7.835 1.00 63.42 N ATOM 449 CZ ARG A 28 -0.122 10.826 8.856 1.00 2.32 C ATOM 450 NH1 ARG A 28 1.173 10.736 8.825 1.00 31.22 N ATOM 451 NH2 ARG A 28 -0.752 10.446 9.918 1.00 4.34 N ATOM 0 H ARG A 28 -0.797 12.712 1.678 1.00 22.20 H new ATOM 0 HA ARG A 28 -0.814 10.069 2.654 1.00 72.10 H new ATOM 0 HB2 ARG A 28 0.366 11.838 3.844 1.00 75.23 H new ATOM 0 HB3 ARG A 28 -1.096 12.790 4.014 1.00 75.23 H new ATOM 0 HG2 ARG A 28 -2.056 11.125 5.561 1.00 62.13 H new ATOM 0 HG3 ARG A 28 -0.686 10.060 5.319 1.00 62.13 H new ATOM 0 HD2 ARG A 28 0.807 11.548 6.504 1.00 54.40 H new ATOM 0 HD3 ARG A 28 -0.364 12.852 6.491 1.00 54.40 H new ATOM 0 HE ARG A 28 -1.825 11.312 7.938 1.00 63.42 H new ATOM 0 HH11 ARG A 28 1.685 11.027 7.992 1.00 31.22 H new ATOM 0 HH12 ARG A 28 1.679 10.375 9.634 1.00 31.22 H new ATOM 0 HH21 ARG A 28 -1.770 10.505 9.956 1.00 4.34 H new ATOM 0 HH22 ARG A 28 -0.232 10.087 10.718 1.00 4.34 H new ATOM 465 N GLU A 29 -3.745 11.626 2.964 1.00 71.41 N ATOM 466 CA GLU A 29 -5.190 11.406 3.249 1.00 74.44 C ATOM 467 C GLU A 29 -5.802 10.330 2.314 1.00 55.12 C ATOM 468 O GLU A 29 -6.673 9.559 2.735 1.00 74.43 O ATOM 469 CB GLU A 29 -6.005 12.736 3.166 1.00 5.14 C ATOM 470 CG GLU A 29 -6.229 13.337 1.755 1.00 33.43 C ATOM 471 CD GLU A 29 -4.952 13.857 1.067 1.00 33.40 C ATOM 472 OE1 GLU A 29 -4.279 13.075 0.373 1.00 11.21 O ATOM 473 OE2 GLU A 29 -4.623 15.051 1.216 1.00 12.42 O ATOM 0 H GLU A 29 -3.522 12.577 2.671 1.00 71.41 H new ATOM 0 HA GLU A 29 -5.255 11.037 4.273 1.00 74.44 H new ATOM 0 HB2 GLU A 29 -6.981 12.564 3.620 1.00 5.14 H new ATOM 0 HB3 GLU A 29 -5.497 13.483 3.776 1.00 5.14 H new ATOM 0 HG2 GLU A 29 -6.684 12.577 1.119 1.00 33.43 H new ATOM 0 HG3 GLU A 29 -6.943 14.157 1.833 1.00 33.43 H new ATOM 480 N ARG A 30 -5.312 10.283 1.054 1.00 3.21 N ATOM 481 CA ARG A 30 -5.695 9.243 0.070 1.00 54.01 C ATOM 482 C ARG A 30 -5.281 7.852 0.561 1.00 62.12 C ATOM 483 O ARG A 30 -6.059 6.900 0.507 1.00 12.14 O ATOM 484 CB ARG A 30 -5.026 9.513 -1.310 1.00 1.12 C ATOM 485 CG ARG A 30 -5.421 10.850 -1.960 1.00 0.25 C ATOM 486 CD ARG A 30 -6.937 10.963 -2.158 1.00 71.11 C ATOM 487 NE ARG A 30 -7.316 12.235 -2.789 1.00 41.31 N ATOM 488 CZ ARG A 30 -8.547 12.640 -3.027 1.00 42.05 C ATOM 489 NH1 ARG A 30 -9.582 11.947 -2.647 1.00 25.51 N ATOM 490 NH2 ARG A 30 -8.737 13.765 -3.629 1.00 31.14 N ATOM 0 H ARG A 30 -4.643 10.962 0.691 1.00 3.21 H new ATOM 0 HA ARG A 30 -6.779 9.280 -0.041 1.00 54.01 H new ATOM 0 HB2 ARG A 30 -3.943 9.490 -1.185 1.00 1.12 H new ATOM 0 HB3 ARG A 30 -5.286 8.702 -1.990 1.00 1.12 H new ATOM 0 HG2 ARG A 30 -5.074 11.674 -1.336 1.00 0.25 H new ATOM 0 HG3 ARG A 30 -4.921 10.947 -2.924 1.00 0.25 H new ATOM 0 HD2 ARG A 30 -7.285 10.134 -2.775 1.00 71.11 H new ATOM 0 HD3 ARG A 30 -7.436 10.874 -1.193 1.00 71.11 H new ATOM 0 HE ARG A 30 -6.559 12.860 -3.067 1.00 41.31 H new ATOM 0 HH11 ARG A 30 -9.451 11.065 -2.151 1.00 25.51 H new ATOM 0 HH12 ARG A 30 -10.523 12.286 -2.845 1.00 25.51 H new ATOM 0 HH21 ARG A 30 -7.939 14.331 -3.916 1.00 31.14 H new ATOM 0 HH22 ARG A 30 -9.686 14.088 -3.818 1.00 31.14 H new ATOM 504 N ILE A 31 -4.038 7.776 1.049 1.00 31.32 N ATOM 505 CA ILE A 31 -3.414 6.523 1.495 1.00 61.22 C ATOM 506 C ILE A 31 -4.030 6.016 2.823 1.00 53.33 C ATOM 507 O ILE A 31 -4.203 4.817 2.995 1.00 75.03 O ATOM 508 CB ILE A 31 -1.854 6.710 1.648 1.00 10.11 C ATOM 509 CG1 ILE A 31 -1.230 7.194 0.294 1.00 41.45 C ATOM 510 CG2 ILE A 31 -1.171 5.403 2.132 1.00 3.33 C ATOM 511 CD1 ILE A 31 0.188 7.731 0.389 1.00 11.52 C ATOM 0 H ILE A 31 -3.430 8.589 1.147 1.00 31.32 H new ATOM 0 HA ILE A 31 -3.608 5.768 0.733 1.00 61.22 H new ATOM 0 HB ILE A 31 -1.678 7.472 2.407 1.00 10.11 H new ATOM 0 HG12 ILE A 31 -1.240 6.362 -0.410 1.00 41.45 H new ATOM 0 HG13 ILE A 31 -1.869 7.972 -0.124 1.00 41.45 H new ATOM 0 HG21 ILE A 31 -0.098 5.567 2.227 1.00 3.33 H new ATOM 0 HG22 ILE A 31 -1.581 5.115 3.100 1.00 3.33 H new ATOM 0 HG23 ILE A 31 -1.354 4.608 1.410 1.00 3.33 H new ATOM 0 HD11 ILE A 31 0.527 8.039 -0.600 1.00 11.52 H new ATOM 0 HD12 ILE A 31 0.208 8.588 1.063 1.00 11.52 H new ATOM 0 HD13 ILE A 31 0.847 6.952 0.772 1.00 11.52 H new ATOM 523 N GLU A 32 -4.363 6.943 3.747 1.00 53.53 N ATOM 524 CA GLU A 32 -4.982 6.605 5.054 1.00 53.34 C ATOM 525 C GLU A 32 -6.412 6.054 4.864 1.00 4.04 C ATOM 526 O GLU A 32 -6.798 5.069 5.506 1.00 60.14 O ATOM 527 CB GLU A 32 -5.006 7.848 5.995 1.00 12.12 C ATOM 528 CG GLU A 32 -3.610 8.359 6.418 1.00 24.22 C ATOM 529 CD GLU A 32 -3.659 9.477 7.480 1.00 54.30 C ATOM 530 OE1 GLU A 32 -3.876 10.654 7.116 1.00 52.30 O ATOM 531 OE2 GLU A 32 -3.482 9.182 8.685 1.00 54.52 O ATOM 0 H GLU A 32 -4.213 7.943 3.612 1.00 53.53 H new ATOM 0 HA GLU A 32 -4.373 5.829 5.518 1.00 53.34 H new ATOM 0 HB2 GLU A 32 -5.539 8.657 5.494 1.00 12.12 H new ATOM 0 HB3 GLU A 32 -5.574 7.599 6.891 1.00 12.12 H new ATOM 0 HG2 GLU A 32 -3.029 7.523 6.808 1.00 24.22 H new ATOM 0 HG3 GLU A 32 -3.085 8.728 5.537 1.00 24.22 H new ATOM 538 N LYS A 33 -7.184 6.708 3.976 1.00 43.21 N ATOM 539 CA LYS A 33 -8.559 6.286 3.637 1.00 41.40 C ATOM 540 C LYS A 33 -8.565 4.946 2.861 1.00 60.22 C ATOM 541 O LYS A 33 -9.404 4.076 3.117 1.00 13.11 O ATOM 542 CB LYS A 33 -9.265 7.399 2.816 1.00 25.20 C ATOM 543 CG LYS A 33 -10.703 7.059 2.356 1.00 71.31 C ATOM 544 CD LYS A 33 -11.360 8.219 1.571 1.00 53.10 C ATOM 545 CE LYS A 33 -12.737 7.843 1.006 1.00 4.32 C ATOM 546 NZ LYS A 33 -13.362 8.965 0.259 1.00 51.31 N ATOM 0 H LYS A 33 -6.875 7.541 3.474 1.00 43.21 H new ATOM 0 HA LYS A 33 -9.107 6.127 4.566 1.00 41.40 H new ATOM 0 HB2 LYS A 33 -9.297 8.308 3.417 1.00 25.20 H new ATOM 0 HB3 LYS A 33 -8.661 7.620 1.936 1.00 25.20 H new ATOM 0 HG2 LYS A 33 -10.680 6.167 1.730 1.00 71.31 H new ATOM 0 HG3 LYS A 33 -11.314 6.821 3.227 1.00 71.31 H new ATOM 0 HD2 LYS A 33 -11.464 9.084 2.227 1.00 53.10 H new ATOM 0 HD3 LYS A 33 -10.704 8.516 0.753 1.00 53.10 H new ATOM 0 HE2 LYS A 33 -12.634 6.982 0.346 1.00 4.32 H new ATOM 0 HE3 LYS A 33 -13.393 7.542 1.823 1.00 4.32 H new ATOM 0 HZ1 LYS A 33 -14.290 8.666 -0.104 1.00 51.31 H new ATOM 0 HZ2 LYS A 33 -13.485 9.779 0.894 1.00 51.31 H new ATOM 0 HZ3 LYS A 33 -12.750 9.236 -0.537 1.00 51.31 H new ATOM 560 N LEU A 34 -7.610 4.793 1.921 1.00 13.43 N ATOM 561 CA LEU A 34 -7.479 3.566 1.102 1.00 62.13 C ATOM 562 C LEU A 34 -6.991 2.367 1.954 1.00 73.32 C ATOM 563 O LEU A 34 -7.473 1.255 1.779 1.00 11.11 O ATOM 564 CB LEU A 34 -6.531 3.802 -0.106 1.00 73.24 C ATOM 565 CG LEU A 34 -6.470 2.652 -1.172 1.00 43.23 C ATOM 566 CD1 LEU A 34 -7.867 2.369 -1.784 1.00 24.44 C ATOM 567 CD2 LEU A 34 -5.440 2.977 -2.282 1.00 15.21 C ATOM 0 H LEU A 34 -6.914 5.507 1.708 1.00 13.43 H new ATOM 0 HA LEU A 34 -8.469 3.321 0.717 1.00 62.13 H new ATOM 0 HB2 LEU A 34 -6.838 4.719 -0.608 1.00 73.24 H new ATOM 0 HB3 LEU A 34 -5.524 3.969 0.276 1.00 73.24 H new ATOM 0 HG LEU A 34 -6.144 1.748 -0.658 1.00 43.23 H new ATOM 0 HD11 LEU A 34 -7.787 1.567 -2.518 1.00 24.44 H new ATOM 0 HD12 LEU A 34 -8.557 2.071 -0.994 1.00 24.44 H new ATOM 0 HD13 LEU A 34 -8.240 3.270 -2.270 1.00 24.44 H new ATOM 0 HD21 LEU A 34 -5.418 2.164 -3.007 1.00 15.21 H new ATOM 0 HD22 LEU A 34 -5.725 3.902 -2.783 1.00 15.21 H new ATOM 0 HD23 LEU A 34 -4.451 3.094 -1.838 1.00 15.21 H new ATOM 579 N ALA A 35 -6.048 2.625 2.882 1.00 2.33 N ATOM 580 CA ALA A 35 -5.532 1.608 3.836 1.00 55.52 C ATOM 581 C ALA A 35 -6.644 1.124 4.785 1.00 53.33 C ATOM 582 O ALA A 35 -6.749 -0.068 5.075 1.00 41.44 O ATOM 583 CB ALA A 35 -4.349 2.172 4.642 1.00 11.43 C ATOM 0 H ALA A 35 -5.619 3.543 2.996 1.00 2.33 H new ATOM 0 HA ALA A 35 -5.183 0.753 3.257 1.00 55.52 H new ATOM 0 HB1 ALA A 35 -3.986 1.413 5.334 1.00 11.43 H new ATOM 0 HB2 ALA A 35 -3.547 2.456 3.961 1.00 11.43 H new ATOM 0 HB3 ALA A 35 -4.675 3.048 5.203 1.00 11.43 H new ATOM 589 N LYS A 36 -7.470 2.081 5.251 1.00 21.31 N ATOM 590 CA LYS A 36 -8.684 1.804 6.048 1.00 12.30 C ATOM 591 C LYS A 36 -9.679 0.928 5.253 1.00 12.43 C ATOM 592 O LYS A 36 -10.287 0.004 5.800 1.00 30.24 O ATOM 593 CB LYS A 36 -9.364 3.140 6.446 1.00 12.52 C ATOM 594 CG LYS A 36 -10.669 2.986 7.265 1.00 3.14 C ATOM 595 CD LYS A 36 -11.381 4.337 7.497 1.00 72.43 C ATOM 596 CE LYS A 36 -12.701 4.189 8.275 1.00 1.52 C ATOM 597 NZ LYS A 36 -13.407 5.492 8.427 1.00 52.51 N ATOM 0 H LYS A 36 -7.314 3.075 5.085 1.00 21.31 H new ATOM 0 HA LYS A 36 -8.390 1.261 6.946 1.00 12.30 H new ATOM 0 HB2 LYS A 36 -8.656 3.733 7.025 1.00 12.52 H new ATOM 0 HB3 LYS A 36 -9.585 3.703 5.539 1.00 12.52 H new ATOM 0 HG2 LYS A 36 -11.344 2.307 6.744 1.00 3.14 H new ATOM 0 HG3 LYS A 36 -10.439 2.530 8.228 1.00 3.14 H new ATOM 0 HD2 LYS A 36 -10.715 5.004 8.044 1.00 72.43 H new ATOM 0 HD3 LYS A 36 -11.583 4.806 6.534 1.00 72.43 H new ATOM 0 HE2 LYS A 36 -13.350 3.483 7.757 1.00 1.52 H new ATOM 0 HE3 LYS A 36 -12.496 3.770 9.260 1.00 1.52 H new ATOM 0 HZ1 LYS A 36 -14.291 5.348 8.956 1.00 52.51 H new ATOM 0 HZ2 LYS A 36 -12.798 6.158 8.944 1.00 52.51 H new ATOM 0 HZ3 LYS A 36 -13.626 5.880 7.487 1.00 52.51 H new ATOM 611 N ASP A 37 -9.816 1.234 3.952 1.00 61.12 N ATOM 612 CA ASP A 37 -10.727 0.516 3.040 1.00 32.42 C ATOM 613 C ASP A 37 -10.245 -0.944 2.815 1.00 30.22 C ATOM 614 O ASP A 37 -11.059 -1.866 2.725 1.00 54.50 O ATOM 615 CB ASP A 37 -10.840 1.297 1.704 1.00 62.03 C ATOM 616 CG ASP A 37 -12.140 1.003 0.943 1.00 3.11 C ATOM 617 OD1 ASP A 37 -12.236 -0.048 0.282 1.00 11.44 O ATOM 618 OD2 ASP A 37 -13.085 1.816 1.028 1.00 42.43 O ATOM 0 H ASP A 37 -9.298 1.988 3.501 1.00 61.12 H new ATOM 0 HA ASP A 37 -11.718 0.458 3.490 1.00 32.42 H new ATOM 0 HB2 ASP A 37 -10.780 2.366 1.909 1.00 62.03 H new ATOM 0 HB3 ASP A 37 -9.990 1.045 1.070 1.00 62.03 H new ATOM 623 N VAL A 38 -8.904 -1.128 2.738 1.00 43.24 N ATOM 624 CA VAL A 38 -8.268 -2.465 2.704 1.00 22.23 C ATOM 625 C VAL A 38 -8.623 -3.258 3.982 1.00 10.03 C ATOM 626 O VAL A 38 -8.896 -4.443 3.908 1.00 2.14 O ATOM 627 CB VAL A 38 -6.688 -2.378 2.564 1.00 33.32 C ATOM 628 CG1 VAL A 38 -6.031 -3.778 2.581 1.00 63.33 C ATOM 629 CG2 VAL A 38 -6.260 -1.610 1.292 1.00 72.25 C ATOM 0 H VAL A 38 -8.237 -0.357 2.698 1.00 43.24 H new ATOM 0 HA VAL A 38 -8.655 -2.978 1.824 1.00 22.23 H new ATOM 0 HB VAL A 38 -6.336 -1.822 3.433 1.00 33.32 H new ATOM 0 HG11 VAL A 38 -4.950 -3.674 2.483 1.00 63.33 H new ATOM 0 HG12 VAL A 38 -6.264 -4.278 3.521 1.00 63.33 H new ATOM 0 HG13 VAL A 38 -6.415 -4.370 1.751 1.00 63.33 H new ATOM 0 HG21 VAL A 38 -5.172 -1.575 1.237 1.00 72.25 H new ATOM 0 HG22 VAL A 38 -6.652 -2.118 0.411 1.00 72.25 H new ATOM 0 HG23 VAL A 38 -6.654 -0.594 1.330 1.00 72.25 H new ATOM 639 N LYS A 39 -8.632 -2.564 5.144 1.00 3.31 N ATOM 640 CA LYS A 39 -8.980 -3.162 6.460 1.00 43.44 C ATOM 641 C LYS A 39 -10.457 -3.636 6.522 1.00 1.55 C ATOM 642 O LYS A 39 -10.766 -4.628 7.194 1.00 12.33 O ATOM 643 CB LYS A 39 -8.676 -2.157 7.598 1.00 64.42 C ATOM 644 CG LYS A 39 -7.179 -1.790 7.731 1.00 62.51 C ATOM 645 CD LYS A 39 -6.933 -0.613 8.703 1.00 3.34 C ATOM 646 CE LYS A 39 -5.446 -0.228 8.800 1.00 33.32 C ATOM 647 NZ LYS A 39 -5.231 0.936 9.701 1.00 64.12 N ATOM 0 H LYS A 39 -8.398 -1.573 5.198 1.00 3.31 H new ATOM 0 HA LYS A 39 -8.360 -4.049 6.591 1.00 43.44 H new ATOM 0 HB2 LYS A 39 -9.249 -1.246 7.427 1.00 64.42 H new ATOM 0 HB3 LYS A 39 -9.022 -2.578 8.542 1.00 64.42 H new ATOM 0 HG2 LYS A 39 -6.625 -2.663 8.077 1.00 62.51 H new ATOM 0 HG3 LYS A 39 -6.785 -1.532 6.748 1.00 62.51 H new ATOM 0 HD2 LYS A 39 -7.508 0.252 8.373 1.00 3.34 H new ATOM 0 HD3 LYS A 39 -7.301 -0.881 9.693 1.00 3.34 H new ATOM 0 HE2 LYS A 39 -4.874 -1.080 9.166 1.00 33.32 H new ATOM 0 HE3 LYS A 39 -5.067 0.008 7.806 1.00 33.32 H new ATOM 0 HZ1 LYS A 39 -4.217 1.163 9.739 1.00 64.12 H new ATOM 0 HZ2 LYS A 39 -5.756 1.757 9.339 1.00 64.12 H new ATOM 0 HZ3 LYS A 39 -5.569 0.703 10.656 1.00 64.12 H new ATOM 661 N ASP A 40 -11.357 -2.924 5.819 1.00 41.54 N ATOM 662 CA ASP A 40 -12.760 -3.369 5.645 1.00 53.34 C ATOM 663 C ASP A 40 -12.821 -4.652 4.770 1.00 71.24 C ATOM 664 O ASP A 40 -13.592 -5.580 5.043 1.00 21.45 O ATOM 665 CB ASP A 40 -13.612 -2.246 5.002 1.00 73.02 C ATOM 666 CG ASP A 40 -13.663 -0.964 5.852 1.00 45.02 C ATOM 667 OD1 ASP A 40 -14.167 -1.017 6.996 1.00 34.24 O ATOM 668 OD2 ASP A 40 -13.210 0.105 5.388 1.00 12.31 O ATOM 0 H ASP A 40 -11.142 -2.038 5.361 1.00 41.54 H new ATOM 0 HA ASP A 40 -13.169 -3.597 6.629 1.00 53.34 H new ATOM 0 HB2 ASP A 40 -13.205 -2.007 4.019 1.00 73.02 H new ATOM 0 HB3 ASP A 40 -14.627 -2.612 4.846 1.00 73.02 H new ATOM 673 N GLU A 41 -11.984 -4.676 3.718 1.00 71.14 N ATOM 674 CA GLU A 41 -11.860 -5.812 2.775 1.00 41.54 C ATOM 675 C GLU A 41 -11.156 -7.040 3.404 1.00 62.04 C ATOM 676 O GLU A 41 -11.357 -8.176 2.946 1.00 61.22 O ATOM 677 CB GLU A 41 -11.140 -5.330 1.489 1.00 64.41 C ATOM 678 CG GLU A 41 -11.940 -4.286 0.674 1.00 62.42 C ATOM 679 CD GLU A 41 -13.215 -4.866 0.036 1.00 25.14 C ATOM 680 OE1 GLU A 41 -13.129 -5.422 -1.078 1.00 72.32 O ATOM 681 OE2 GLU A 41 -14.299 -4.801 0.654 1.00 13.44 O ATOM 0 H GLU A 41 -11.364 -3.898 3.492 1.00 71.14 H new ATOM 0 HA GLU A 41 -12.863 -6.154 2.519 1.00 41.54 H new ATOM 0 HB2 GLU A 41 -10.176 -4.901 1.764 1.00 64.41 H new ATOM 0 HB3 GLU A 41 -10.936 -6.192 0.854 1.00 64.41 H new ATOM 0 HG2 GLU A 41 -12.212 -3.456 1.326 1.00 62.42 H new ATOM 0 HG3 GLU A 41 -11.301 -3.879 -0.110 1.00 62.42 H new ATOM 688 N LEU A 42 -10.308 -6.804 4.431 1.00 30.30 N ATOM 689 CA LEU A 42 -9.739 -7.898 5.263 1.00 74.15 C ATOM 690 C LEU A 42 -10.877 -8.703 5.944 1.00 1.01 C ATOM 691 O LEU A 42 -10.782 -9.928 6.089 1.00 5.14 O ATOM 692 CB LEU A 42 -8.762 -7.369 6.365 1.00 63.10 C ATOM 693 CG LEU A 42 -7.552 -6.490 5.906 1.00 14.14 C ATOM 694 CD1 LEU A 42 -6.584 -6.200 7.078 1.00 22.32 C ATOM 695 CD2 LEU A 42 -6.805 -7.097 4.707 1.00 31.04 C ATOM 0 H LEU A 42 -10.001 -5.871 4.706 1.00 30.30 H new ATOM 0 HA LEU A 42 -9.171 -8.539 4.588 1.00 74.15 H new ATOM 0 HB2 LEU A 42 -9.346 -6.789 7.079 1.00 63.10 H new ATOM 0 HB3 LEU A 42 -8.365 -8.230 6.903 1.00 63.10 H new ATOM 0 HG LEU A 42 -7.969 -5.540 5.571 1.00 14.14 H new ATOM 0 HD11 LEU A 42 -5.756 -5.587 6.723 1.00 22.32 H new ATOM 0 HD12 LEU A 42 -7.116 -5.668 7.867 1.00 22.32 H new ATOM 0 HD13 LEU A 42 -6.197 -7.140 7.471 1.00 22.32 H new ATOM 0 HD21 LEU A 42 -5.975 -6.448 4.429 1.00 31.04 H new ATOM 0 HD22 LEU A 42 -6.421 -8.081 4.977 1.00 31.04 H new ATOM 0 HD23 LEU A 42 -7.489 -7.193 3.863 1.00 31.04 H new ATOM 707 N GLU A 43 -11.955 -7.986 6.344 1.00 23.22 N ATOM 708 CA GLU A 43 -13.159 -8.588 6.961 1.00 3.40 C ATOM 709 C GLU A 43 -14.162 -9.087 5.883 1.00 55.01 C ATOM 710 O GLU A 43 -15.187 -8.450 5.615 1.00 45.04 O ATOM 711 CB GLU A 43 -13.842 -7.577 7.928 1.00 23.45 C ATOM 712 CG GLU A 43 -12.938 -7.090 9.075 1.00 11.25 C ATOM 713 CD GLU A 43 -13.671 -6.225 10.120 1.00 24.04 C ATOM 714 OE1 GLU A 43 -13.753 -4.992 9.944 1.00 2.44 O ATOM 715 OE2 GLU A 43 -14.168 -6.776 11.127 1.00 11.21 O ATOM 0 H GLU A 43 -12.013 -6.972 6.247 1.00 23.22 H new ATOM 0 HA GLU A 43 -12.839 -9.456 7.538 1.00 3.40 H new ATOM 0 HB2 GLU A 43 -14.178 -6.714 7.354 1.00 23.45 H new ATOM 0 HB3 GLU A 43 -14.731 -8.043 8.354 1.00 23.45 H new ATOM 0 HG2 GLU A 43 -12.502 -7.955 9.574 1.00 11.25 H new ATOM 0 HG3 GLU A 43 -12.112 -6.515 8.656 1.00 11.25 H new ATOM 722 N GLU A 44 -13.790 -10.206 5.233 1.00 52.52 N ATOM 723 CA GLU A 44 -14.647 -10.970 4.288 1.00 43.43 C ATOM 724 C GLU A 44 -15.125 -10.121 3.061 1.00 31.33 C ATOM 725 O GLU A 44 -16.198 -10.352 2.491 1.00 15.43 O ATOM 726 CB GLU A 44 -15.825 -11.638 5.073 1.00 54.22 C ATOM 727 CG GLU A 44 -16.555 -12.772 4.316 1.00 32.14 C ATOM 728 CD GLU A 44 -17.547 -13.549 5.200 1.00 62.42 C ATOM 729 OE1 GLU A 44 -17.105 -14.463 5.933 1.00 45.01 O ATOM 730 OE2 GLU A 44 -18.757 -13.244 5.180 1.00 10.03 O ATOM 0 H GLU A 44 -12.865 -10.619 5.349 1.00 52.52 H new ATOM 0 HA GLU A 44 -14.042 -11.760 3.843 1.00 43.43 H new ATOM 0 HB2 GLU A 44 -15.437 -12.038 6.010 1.00 54.22 H new ATOM 0 HB3 GLU A 44 -16.552 -10.868 5.332 1.00 54.22 H new ATOM 0 HG2 GLU A 44 -17.090 -12.347 3.467 1.00 32.14 H new ATOM 0 HG3 GLU A 44 -15.817 -13.465 3.913 1.00 32.14 H new ATOM 737 N GLY A 45 -14.302 -9.137 2.657 1.00 52.22 N ATOM 738 CA GLY A 45 -14.506 -8.408 1.394 1.00 60.34 C ATOM 739 C GLY A 45 -13.692 -9.030 0.257 1.00 62.24 C ATOM 740 O GLY A 45 -13.985 -10.150 -0.178 1.00 73.12 O ATOM 0 H GLY A 45 -13.488 -8.828 3.189 1.00 52.22 H new ATOM 0 HA2 GLY A 45 -15.564 -8.416 1.133 1.00 60.34 H new ATOM 0 HA3 GLY A 45 -14.217 -7.365 1.523 1.00 60.34 H new ATOM 744 N ASP A 46 -12.662 -8.307 -0.219 1.00 1.21 N ATOM 745 CA ASP A 46 -11.657 -8.851 -1.155 1.00 72.20 C ATOM 746 C ASP A 46 -10.360 -8.018 -1.056 1.00 32.21 C ATOM 747 O ASP A 46 -10.207 -6.993 -1.732 1.00 5.04 O ATOM 748 CB ASP A 46 -12.200 -8.877 -2.611 1.00 20.54 C ATOM 749 CG ASP A 46 -11.298 -9.678 -3.564 1.00 52.03 C ATOM 750 OD1 ASP A 46 -11.458 -10.910 -3.637 1.00 63.10 O ATOM 751 OD2 ASP A 46 -10.414 -9.091 -4.221 1.00 10.40 O ATOM 0 H ASP A 46 -12.502 -7.332 0.033 1.00 1.21 H new ATOM 0 HA ASP A 46 -11.437 -9.882 -0.878 1.00 72.20 H new ATOM 0 HB2 ASP A 46 -13.200 -9.310 -2.614 1.00 20.54 H new ATOM 0 HB3 ASP A 46 -12.294 -7.855 -2.978 1.00 20.54 H new ATOM 756 N ALA A 47 -9.445 -8.452 -0.180 1.00 12.14 N ATOM 757 CA ALA A 47 -8.204 -7.714 0.109 1.00 24.31 C ATOM 758 C ALA A 47 -7.211 -7.719 -1.074 1.00 53.31 C ATOM 759 O ALA A 47 -6.506 -6.737 -1.268 1.00 73.52 O ATOM 760 CB ALA A 47 -7.536 -8.283 1.366 1.00 72.13 C ATOM 0 H ALA A 47 -9.541 -9.320 0.347 1.00 12.14 H new ATOM 0 HA ALA A 47 -8.484 -6.674 0.278 1.00 24.31 H new ATOM 0 HB1 ALA A 47 -6.619 -7.731 1.572 1.00 72.13 H new ATOM 0 HB2 ALA A 47 -8.215 -8.188 2.213 1.00 72.13 H new ATOM 0 HB3 ALA A 47 -7.299 -9.335 1.207 1.00 72.13 H new ATOM 766 N LYS A 48 -7.181 -8.814 -1.871 1.00 11.42 N ATOM 767 CA LYS A 48 -6.148 -9.011 -2.922 1.00 32.22 C ATOM 768 C LYS A 48 -6.229 -7.944 -4.034 1.00 53.03 C ATOM 769 O LYS A 48 -5.204 -7.386 -4.424 1.00 52.34 O ATOM 770 CB LYS A 48 -6.218 -10.430 -3.538 1.00 40.03 C ATOM 771 CG LYS A 48 -4.986 -10.791 -4.408 1.00 33.34 C ATOM 772 CD LYS A 48 -5.101 -12.181 -5.078 1.00 43.31 C ATOM 773 CE LYS A 48 -6.165 -12.221 -6.186 1.00 71.42 C ATOM 774 NZ LYS A 48 -5.807 -11.354 -7.340 1.00 5.24 N ATOM 0 H LYS A 48 -7.858 -9.574 -1.808 1.00 11.42 H new ATOM 0 HA LYS A 48 -5.186 -8.899 -2.422 1.00 32.22 H new ATOM 0 HB2 LYS A 48 -6.312 -11.161 -2.735 1.00 40.03 H new ATOM 0 HB3 LYS A 48 -7.118 -10.508 -4.148 1.00 40.03 H new ATOM 0 HG2 LYS A 48 -4.859 -10.032 -5.180 1.00 33.34 H new ATOM 0 HG3 LYS A 48 -4.091 -10.767 -3.787 1.00 33.34 H new ATOM 0 HD2 LYS A 48 -4.134 -12.458 -5.499 1.00 43.31 H new ATOM 0 HD3 LYS A 48 -5.344 -12.926 -4.320 1.00 43.31 H new ATOM 0 HE2 LYS A 48 -6.290 -13.248 -6.530 1.00 71.42 H new ATOM 0 HE3 LYS A 48 -7.124 -11.902 -5.778 1.00 71.42 H new ATOM 0 HZ1 LYS A 48 -6.427 -11.575 -8.146 1.00 5.24 H new ATOM 0 HZ2 LYS A 48 -5.927 -10.356 -7.075 1.00 5.24 H new ATOM 0 HZ3 LYS A 48 -4.817 -11.524 -7.608 1.00 5.24 H new ATOM 788 N ASN A 49 -7.457 -7.666 -4.528 1.00 35.13 N ATOM 789 CA ASN A 49 -7.701 -6.575 -5.514 1.00 2.12 C ATOM 790 C ASN A 49 -7.194 -5.215 -4.977 1.00 23.44 C ATOM 791 O ASN A 49 -6.637 -4.410 -5.719 1.00 54.51 O ATOM 792 CB ASN A 49 -9.211 -6.500 -5.858 1.00 72.02 C ATOM 793 CG ASN A 49 -9.572 -5.345 -6.807 1.00 22.51 C ATOM 794 OD1 ASN A 49 -9.504 -5.474 -8.025 1.00 53.23 O ATOM 795 ND2 ASN A 49 -9.973 -4.212 -6.258 1.00 32.23 N ATOM 0 H ASN A 49 -8.298 -8.179 -4.263 1.00 35.13 H new ATOM 0 HA ASN A 49 -7.143 -6.801 -6.423 1.00 2.12 H new ATOM 0 HB2 ASN A 49 -9.518 -7.442 -6.313 1.00 72.02 H new ATOM 0 HB3 ASN A 49 -9.780 -6.391 -4.935 1.00 72.02 H new ATOM 0 HD21 ASN A 49 -10.233 -3.423 -6.849 1.00 32.23 H new ATOM 0 HD22 ASN A 49 -10.022 -4.127 -5.243 1.00 32.23 H new ATOM 802 N MET A 50 -7.380 -5.006 -3.668 1.00 33.33 N ATOM 803 CA MET A 50 -6.945 -3.785 -2.964 1.00 12.03 C ATOM 804 C MET A 50 -5.401 -3.679 -2.872 1.00 60.23 C ATOM 805 O MET A 50 -4.874 -2.578 -2.863 1.00 63.45 O ATOM 806 CB MET A 50 -7.582 -3.763 -1.556 1.00 75.54 C ATOM 807 CG MET A 50 -9.115 -3.762 -1.568 1.00 32.52 C ATOM 808 SD MET A 50 -9.812 -2.199 -2.145 1.00 54.10 S ATOM 809 CE MET A 50 -9.276 -1.099 -0.836 1.00 72.21 C ATOM 0 H MET A 50 -7.840 -5.683 -3.059 1.00 33.33 H new ATOM 0 HA MET A 50 -7.280 -2.920 -3.536 1.00 12.03 H new ATOM 0 HB2 MET A 50 -7.233 -4.631 -0.997 1.00 75.54 H new ATOM 0 HB3 MET A 50 -7.232 -2.879 -1.023 1.00 75.54 H new ATOM 0 HG2 MET A 50 -9.469 -4.570 -2.208 1.00 32.52 H new ATOM 0 HG3 MET A 50 -9.481 -3.968 -0.562 1.00 32.52 H new ATOM 0 HE1 MET A 50 -9.896 -0.202 -0.838 1.00 72.21 H new ATOM 0 HE2 MET A 50 -9.371 -1.604 0.125 1.00 72.21 H new ATOM 0 HE3 MET A 50 -8.235 -0.820 -0.998 1.00 72.21 H new ATOM 819 N ILE A 51 -4.697 -4.835 -2.796 1.00 11.55 N ATOM 820 CA ILE A 51 -3.203 -4.875 -2.783 1.00 71.45 C ATOM 821 C ILE A 51 -2.642 -4.503 -4.177 1.00 43.13 C ATOM 822 O ILE A 51 -1.755 -3.648 -4.310 1.00 61.13 O ATOM 823 CB ILE A 51 -2.639 -6.305 -2.407 1.00 51.01 C ATOM 824 CG1 ILE A 51 -3.351 -6.898 -1.155 1.00 4.53 C ATOM 825 CG2 ILE A 51 -1.102 -6.249 -2.186 1.00 11.32 C ATOM 826 CD1 ILE A 51 -3.024 -8.357 -0.875 1.00 13.01 C ATOM 0 H ILE A 51 -5.134 -5.755 -2.743 1.00 11.55 H new ATOM 0 HA ILE A 51 -2.886 -4.157 -2.026 1.00 71.45 H new ATOM 0 HB ILE A 51 -2.847 -6.968 -3.247 1.00 51.01 H new ATOM 0 HG12 ILE A 51 -3.079 -6.304 -0.283 1.00 4.53 H new ATOM 0 HG13 ILE A 51 -4.429 -6.799 -1.285 1.00 4.53 H new ATOM 0 HG21 ILE A 51 -0.735 -7.243 -1.928 1.00 11.32 H new ATOM 0 HG22 ILE A 51 -0.615 -5.908 -3.100 1.00 11.32 H new ATOM 0 HG23 ILE A 51 -0.876 -5.557 -1.375 1.00 11.32 H new ATOM 0 HD11 ILE A 51 -3.563 -8.687 0.013 1.00 13.01 H new ATOM 0 HD12 ILE A 51 -3.323 -8.967 -1.728 1.00 13.01 H new ATOM 0 HD13 ILE A 51 -1.952 -8.464 -0.710 1.00 13.01 H new ATOM 838 N GLU A 52 -3.185 -5.189 -5.203 1.00 62.25 N ATOM 839 CA GLU A 52 -2.795 -5.023 -6.617 1.00 73.31 C ATOM 840 C GLU A 52 -3.010 -3.567 -7.084 1.00 62.33 C ATOM 841 O GLU A 52 -2.128 -2.958 -7.691 1.00 52.41 O ATOM 842 CB GLU A 52 -3.617 -6.007 -7.500 1.00 53.15 C ATOM 843 CG GLU A 52 -3.474 -7.508 -7.115 1.00 62.21 C ATOM 844 CD GLU A 52 -4.431 -8.440 -7.884 1.00 35.51 C ATOM 845 OE1 GLU A 52 -5.638 -8.478 -7.545 1.00 13.34 O ATOM 846 OE2 GLU A 52 -3.983 -9.169 -8.800 1.00 31.12 O ATOM 0 H GLU A 52 -3.919 -5.885 -5.070 1.00 62.25 H new ATOM 0 HA GLU A 52 -1.733 -5.249 -6.718 1.00 73.31 H new ATOM 0 HB2 GLU A 52 -4.670 -5.731 -7.443 1.00 53.15 H new ATOM 0 HB3 GLU A 52 -3.311 -5.883 -8.539 1.00 53.15 H new ATOM 0 HG2 GLU A 52 -2.447 -7.825 -7.299 1.00 62.21 H new ATOM 0 HG3 GLU A 52 -3.655 -7.618 -6.046 1.00 62.21 H new ATOM 853 N LYS A 53 -4.192 -3.021 -6.761 1.00 45.33 N ATOM 854 CA LYS A 53 -4.568 -1.638 -7.119 1.00 33.15 C ATOM 855 C LYS A 53 -3.900 -0.585 -6.213 1.00 63.41 C ATOM 856 O LYS A 53 -3.787 0.576 -6.609 1.00 23.41 O ATOM 857 CB LYS A 53 -6.112 -1.482 -7.145 1.00 32.14 C ATOM 858 CG LYS A 53 -6.795 -2.303 -8.264 1.00 14.02 C ATOM 859 CD LYS A 53 -6.227 -1.952 -9.661 1.00 35.21 C ATOM 860 CE LYS A 53 -6.769 -2.853 -10.774 1.00 52.31 C ATOM 861 NZ LYS A 53 -6.126 -2.549 -12.080 1.00 61.14 N ATOM 0 H LYS A 53 -4.916 -3.522 -6.245 1.00 45.33 H new ATOM 0 HA LYS A 53 -4.189 -1.450 -8.123 1.00 33.15 H new ATOM 0 HB2 LYS A 53 -6.517 -1.789 -6.181 1.00 32.14 H new ATOM 0 HB3 LYS A 53 -6.361 -0.429 -7.274 1.00 32.14 H new ATOM 0 HG2 LYS A 53 -6.656 -3.367 -8.071 1.00 14.02 H new ATOM 0 HG3 LYS A 53 -7.868 -2.115 -8.250 1.00 14.02 H new ATOM 0 HD2 LYS A 53 -6.466 -0.914 -9.893 1.00 35.21 H new ATOM 0 HD3 LYS A 53 -5.140 -2.031 -9.635 1.00 35.21 H new ATOM 0 HE2 LYS A 53 -6.595 -3.898 -10.516 1.00 52.31 H new ATOM 0 HE3 LYS A 53 -7.848 -2.721 -10.858 1.00 52.31 H new ATOM 0 HZ1 LYS A 53 -6.792 -2.023 -12.681 1.00 61.14 H new ATOM 0 HZ2 LYS A 53 -5.274 -1.974 -11.922 1.00 61.14 H new ATOM 0 HZ3 LYS A 53 -5.862 -3.437 -12.552 1.00 61.14 H new ATOM 875 N PHE A 54 -3.462 -0.988 -5.002 1.00 63.02 N ATOM 876 CA PHE A 54 -2.647 -0.103 -4.134 1.00 51.33 C ATOM 877 C PHE A 54 -1.270 0.154 -4.785 1.00 24.52 C ATOM 878 O PHE A 54 -0.735 1.254 -4.691 1.00 34.51 O ATOM 879 CB PHE A 54 -2.476 -0.698 -2.707 1.00 42.25 C ATOM 880 CG PHE A 54 -1.743 0.224 -1.726 1.00 13.31 C ATOM 881 CD1 PHE A 54 -2.401 1.303 -1.136 1.00 24.42 C ATOM 882 CD2 PHE A 54 -0.393 0.037 -1.430 1.00 13.22 C ATOM 883 CE1 PHE A 54 -1.740 2.159 -0.280 1.00 74.20 C ATOM 884 CE2 PHE A 54 0.270 0.897 -0.581 1.00 54.04 C ATOM 885 CZ PHE A 54 -0.403 1.959 -0.005 1.00 44.11 C ATOM 0 H PHE A 54 -3.654 -1.907 -4.604 1.00 63.02 H new ATOM 0 HA PHE A 54 -3.174 0.845 -4.030 1.00 51.33 H new ATOM 0 HB2 PHE A 54 -3.461 -0.931 -2.302 1.00 42.25 H new ATOM 0 HB3 PHE A 54 -1.931 -1.639 -2.781 1.00 42.25 H new ATOM 0 HD1 PHE A 54 -3.446 1.471 -1.353 1.00 24.42 H new ATOM 0 HD2 PHE A 54 0.140 -0.792 -1.872 1.00 13.22 H new ATOM 0 HE1 PHE A 54 -2.268 2.984 0.174 1.00 74.20 H new ATOM 0 HE2 PHE A 54 1.317 0.741 -0.365 1.00 54.04 H new ATOM 0 HZ PHE A 54 0.118 2.632 0.660 1.00 44.11 H new ATOM 895 N ARG A 55 -0.713 -0.885 -5.443 1.00 13.34 N ATOM 896 CA ARG A 55 0.536 -0.772 -6.233 1.00 42.45 C ATOM 897 C ARG A 55 0.356 0.222 -7.417 1.00 31.34 C ATOM 898 O ARG A 55 1.241 1.043 -7.681 1.00 50.31 O ATOM 899 CB ARG A 55 0.956 -2.181 -6.751 1.00 24.44 C ATOM 900 CG ARG A 55 2.220 -2.218 -7.654 1.00 33.51 C ATOM 901 CD ARG A 55 3.504 -1.725 -6.954 1.00 61.42 C ATOM 902 NE ARG A 55 4.608 -1.539 -7.924 1.00 64.41 N ATOM 903 CZ ARG A 55 5.761 -2.177 -7.930 1.00 41.51 C ATOM 904 NH1 ARG A 55 6.025 -3.111 -7.082 1.00 41.11 N ATOM 905 NH2 ARG A 55 6.641 -1.890 -8.825 1.00 14.12 N ATOM 0 H ARG A 55 -1.113 -1.823 -5.443 1.00 13.34 H new ATOM 0 HA ARG A 55 1.325 -0.381 -5.591 1.00 42.45 H new ATOM 0 HB2 ARG A 55 1.128 -2.828 -5.891 1.00 24.44 H new ATOM 0 HB3 ARG A 55 0.121 -2.607 -7.308 1.00 24.44 H new ATOM 0 HG2 ARG A 55 2.377 -3.239 -8.001 1.00 33.51 H new ATOM 0 HG3 ARG A 55 2.041 -1.605 -8.537 1.00 33.51 H new ATOM 0 HD2 ARG A 55 3.304 -0.783 -6.443 1.00 61.42 H new ATOM 0 HD3 ARG A 55 3.804 -2.444 -6.192 1.00 61.42 H new ATOM 0 HE ARG A 55 4.461 -0.849 -8.660 1.00 64.41 H new ATOM 0 HH11 ARG A 55 5.332 -3.374 -6.381 1.00 41.11 H new ATOM 0 HH12 ARG A 55 6.927 -3.587 -7.112 1.00 41.11 H new ATOM 0 HH21 ARG A 55 6.443 -1.173 -9.523 1.00 14.12 H new ATOM 0 HH22 ARG A 55 7.536 -2.380 -8.836 1.00 14.12 H new ATOM 919 N ASP A 56 -0.801 0.116 -8.114 1.00 64.23 N ATOM 920 CA ASP A 56 -1.198 1.049 -9.203 1.00 31.24 C ATOM 921 C ASP A 56 -1.208 2.524 -8.716 1.00 62.12 C ATOM 922 O ASP A 56 -0.587 3.392 -9.335 1.00 75.31 O ATOM 923 CB ASP A 56 -2.610 0.671 -9.757 1.00 60.55 C ATOM 924 CG ASP A 56 -2.681 -0.653 -10.548 1.00 43.22 C ATOM 925 OD1 ASP A 56 -1.915 -1.595 -10.252 1.00 14.31 O ATOM 926 OD2 ASP A 56 -3.518 -0.758 -11.480 1.00 20.44 O ATOM 0 H ASP A 56 -1.487 -0.618 -7.939 1.00 64.23 H new ATOM 0 HA ASP A 56 -0.458 0.956 -9.998 1.00 31.24 H new ATOM 0 HB2 ASP A 56 -3.306 0.612 -8.920 1.00 60.55 H new ATOM 0 HB3 ASP A 56 -2.956 1.478 -10.402 1.00 60.55 H new ATOM 931 N GLU A 57 -1.913 2.778 -7.592 1.00 2.31 N ATOM 932 CA GLU A 57 -2.040 4.129 -6.992 1.00 34.55 C ATOM 933 C GLU A 57 -0.671 4.677 -6.522 1.00 2.41 C ATOM 934 O GLU A 57 -0.345 5.845 -6.747 1.00 43.34 O ATOM 935 CB GLU A 57 -3.045 4.101 -5.803 1.00 33.33 C ATOM 936 CG GLU A 57 -4.486 3.685 -6.176 1.00 73.44 C ATOM 937 CD GLU A 57 -5.150 4.633 -7.196 1.00 64.04 C ATOM 938 OE1 GLU A 57 -5.636 5.713 -6.785 1.00 61.22 O ATOM 939 OE2 GLU A 57 -5.182 4.308 -8.410 1.00 2.22 O ATOM 0 H GLU A 57 -2.411 2.054 -7.074 1.00 2.31 H new ATOM 0 HA GLU A 57 -2.418 4.798 -7.764 1.00 34.55 H new ATOM 0 HB2 GLU A 57 -2.669 3.414 -5.045 1.00 33.33 H new ATOM 0 HB3 GLU A 57 -3.075 5.091 -5.349 1.00 33.33 H new ATOM 0 HG2 GLU A 57 -4.471 2.675 -6.586 1.00 73.44 H new ATOM 0 HG3 GLU A 57 -5.093 3.653 -5.271 1.00 73.44 H new ATOM 946 N MET A 58 0.121 3.806 -5.868 1.00 24.31 N ATOM 947 CA MET A 58 1.484 4.134 -5.386 1.00 4.31 C ATOM 948 C MET A 58 2.440 4.508 -6.521 1.00 64.33 C ATOM 949 O MET A 58 3.295 5.362 -6.335 1.00 1.52 O ATOM 950 CB MET A 58 2.066 2.953 -4.569 1.00 54.43 C ATOM 951 CG MET A 58 1.577 2.924 -3.128 1.00 11.41 C ATOM 952 SD MET A 58 2.170 4.341 -2.194 1.00 51.04 S ATOM 953 CE MET A 58 3.947 4.067 -2.196 1.00 43.35 C ATOM 0 H MET A 58 -0.164 2.850 -5.656 1.00 24.31 H new ATOM 0 HA MET A 58 1.388 5.011 -4.746 1.00 4.31 H new ATOM 0 HB2 MET A 58 1.798 2.015 -5.056 1.00 54.43 H new ATOM 0 HB3 MET A 58 3.154 3.016 -4.576 1.00 54.43 H new ATOM 0 HG2 MET A 58 0.487 2.910 -3.114 1.00 11.41 H new ATOM 0 HG3 MET A 58 1.914 2.005 -2.648 1.00 11.41 H new ATOM 0 HE1 MET A 58 4.390 4.548 -1.324 1.00 43.35 H new ATOM 0 HE2 MET A 58 4.150 2.997 -2.162 1.00 43.35 H new ATOM 0 HE3 MET A 58 4.379 4.490 -3.103 1.00 43.35 H new ATOM 963 N GLU A 59 2.302 3.854 -7.681 1.00 24.55 N ATOM 964 CA GLU A 59 3.131 4.152 -8.865 1.00 72.21 C ATOM 965 C GLU A 59 2.832 5.579 -9.395 1.00 1.33 C ATOM 966 O GLU A 59 3.740 6.314 -9.770 1.00 12.30 O ATOM 967 CB GLU A 59 2.895 3.085 -9.966 1.00 50.12 C ATOM 968 CG GLU A 59 3.886 3.162 -11.146 1.00 14.42 C ATOM 969 CD GLU A 59 3.632 2.104 -12.239 1.00 2.44 C ATOM 970 OE1 GLU A 59 3.579 0.902 -11.909 1.00 10.41 O ATOM 971 OE2 GLU A 59 3.493 2.472 -13.429 1.00 31.45 O ATOM 0 H GLU A 59 1.621 3.110 -7.829 1.00 24.55 H new ATOM 0 HA GLU A 59 4.182 4.117 -8.576 1.00 72.21 H new ATOM 0 HB2 GLU A 59 2.960 2.094 -9.516 1.00 50.12 H new ATOM 0 HB3 GLU A 59 1.881 3.194 -10.350 1.00 50.12 H new ATOM 0 HG2 GLU A 59 3.828 4.154 -11.593 1.00 14.42 H new ATOM 0 HG3 GLU A 59 4.900 3.042 -10.765 1.00 14.42 H new ATOM 978 N GLN A 60 1.543 5.957 -9.369 1.00 33.22 N ATOM 979 CA GLN A 60 1.063 7.299 -9.783 1.00 52.31 C ATOM 980 C GLN A 60 1.590 8.413 -8.837 1.00 34.35 C ATOM 981 O GLN A 60 2.141 9.421 -9.298 1.00 33.34 O ATOM 982 CB GLN A 60 -0.493 7.306 -9.808 1.00 43.31 C ATOM 983 CG GLN A 60 -1.120 6.244 -10.744 1.00 60.23 C ATOM 984 CD GLN A 60 -2.637 6.074 -10.569 1.00 54.03 C ATOM 985 OE1 GLN A 60 -3.353 7.019 -10.240 1.00 70.40 O ATOM 986 NE2 GLN A 60 -3.138 4.868 -10.767 1.00 13.02 N ATOM 0 H GLN A 60 0.793 5.339 -9.058 1.00 33.22 H new ATOM 0 HA GLN A 60 1.449 7.508 -10.781 1.00 52.31 H new ATOM 0 HB2 GLN A 60 -0.862 7.144 -8.795 1.00 43.31 H new ATOM 0 HB3 GLN A 60 -0.835 8.294 -10.117 1.00 43.31 H new ATOM 0 HG2 GLN A 60 -0.912 6.518 -11.778 1.00 60.23 H new ATOM 0 HG3 GLN A 60 -0.634 5.285 -10.565 1.00 60.23 H new ATOM 0 HE21 GLN A 60 -2.525 4.100 -11.039 1.00 13.02 H new ATOM 0 HE22 GLN A 60 -4.138 4.705 -10.648 1.00 13.02 H new ATOM 995 N MET A 61 1.428 8.200 -7.514 1.00 20.44 N ATOM 996 CA MET A 61 1.829 9.185 -6.472 1.00 64.33 C ATOM 997 C MET A 61 3.375 9.296 -6.344 1.00 32.31 C ATOM 998 O MET A 61 3.905 10.359 -6.001 1.00 3.43 O ATOM 999 CB MET A 61 1.191 8.801 -5.108 1.00 71.40 C ATOM 1000 CG MET A 61 -0.349 8.839 -5.078 1.00 2.30 C ATOM 1001 SD MET A 61 -1.040 8.381 -3.466 1.00 73.04 S ATOM 1002 CE MET A 61 -0.596 6.645 -3.337 1.00 63.11 C ATOM 0 H MET A 61 1.018 7.347 -7.134 1.00 20.44 H new ATOM 0 HA MET A 61 1.461 10.165 -6.776 1.00 64.33 H new ATOM 0 HB2 MET A 61 1.520 7.797 -4.839 1.00 71.40 H new ATOM 0 HB3 MET A 61 1.572 9.477 -4.342 1.00 71.40 H new ATOM 0 HG2 MET A 61 -0.687 9.842 -5.340 1.00 2.30 H new ATOM 0 HG3 MET A 61 -0.738 8.163 -5.839 1.00 2.30 H new ATOM 0 HE1 MET A 61 -1.353 6.118 -2.756 1.00 63.11 H new ATOM 0 HE2 MET A 61 -0.536 6.210 -4.335 1.00 63.11 H new ATOM 0 HE3 MET A 61 0.371 6.552 -2.842 1.00 63.11 H new ATOM 1012 N TYR A 62 4.077 8.176 -6.613 1.00 62.44 N ATOM 1013 CA TYR A 62 5.559 8.126 -6.644 1.00 23.12 C ATOM 1014 C TYR A 62 6.132 8.902 -7.853 1.00 62.54 C ATOM 1015 O TYR A 62 7.036 9.723 -7.696 1.00 23.44 O ATOM 1016 CB TYR A 62 6.037 6.644 -6.673 1.00 31.30 C ATOM 1017 CG TYR A 62 7.509 6.448 -7.049 1.00 63.23 C ATOM 1018 CD1 TYR A 62 8.533 6.839 -6.188 1.00 71.24 C ATOM 1019 CD2 TYR A 62 7.874 5.906 -8.290 1.00 35.34 C ATOM 1020 CE1 TYR A 62 9.852 6.704 -6.548 1.00 15.13 C ATOM 1021 CE2 TYR A 62 9.197 5.763 -8.644 1.00 53.01 C ATOM 1022 CZ TYR A 62 10.182 6.166 -7.772 1.00 23.03 C ATOM 1023 OH TYR A 62 11.506 6.050 -8.136 1.00 53.12 O ATOM 0 H TYR A 62 3.635 7.279 -6.815 1.00 62.44 H new ATOM 0 HA TYR A 62 5.932 8.608 -5.741 1.00 23.12 H new ATOM 0 HB2 TYR A 62 5.866 6.203 -5.691 1.00 31.30 H new ATOM 0 HB3 TYR A 62 5.420 6.092 -7.382 1.00 31.30 H new ATOM 0 HD1 TYR A 62 8.286 7.255 -5.222 1.00 71.24 H new ATOM 0 HD2 TYR A 62 7.104 5.595 -8.980 1.00 35.34 H new ATOM 0 HE1 TYR A 62 10.631 7.020 -5.870 1.00 15.13 H new ATOM 0 HE2 TYR A 62 9.460 5.337 -9.601 1.00 53.01 H new ATOM 0 HH TYR A 62 11.961 5.434 -7.525 1.00 53.12 H new ATOM 1033 N LYS A 63 5.618 8.609 -9.058 1.00 11.34 N ATOM 1034 CA LYS A 63 6.059 9.288 -10.306 1.00 74.20 C ATOM 1035 C LYS A 63 5.704 10.796 -10.305 1.00 21.14 C ATOM 1036 O LYS A 63 6.319 11.586 -11.034 1.00 43.15 O ATOM 1037 CB LYS A 63 5.464 8.583 -11.552 1.00 52.12 C ATOM 1038 CG LYS A 63 6.035 7.170 -11.819 1.00 33.42 C ATOM 1039 CD LYS A 63 5.378 6.492 -13.043 1.00 24.13 C ATOM 1040 CE LYS A 63 6.016 5.135 -13.382 1.00 22.22 C ATOM 1041 NZ LYS A 63 5.338 4.469 -14.529 1.00 71.52 N ATOM 0 H LYS A 63 4.894 7.905 -9.204 1.00 11.34 H new ATOM 0 HA LYS A 63 7.146 9.214 -10.349 1.00 74.20 H new ATOM 0 HB2 LYS A 63 4.383 8.508 -11.431 1.00 52.12 H new ATOM 0 HB3 LYS A 63 5.644 9.206 -12.428 1.00 52.12 H new ATOM 0 HG2 LYS A 63 7.111 7.240 -11.979 1.00 33.42 H new ATOM 0 HG3 LYS A 63 5.884 6.547 -10.937 1.00 33.42 H new ATOM 0 HD2 LYS A 63 4.315 6.351 -12.848 1.00 24.13 H new ATOM 0 HD3 LYS A 63 5.459 7.153 -13.906 1.00 24.13 H new ATOM 0 HE2 LYS A 63 7.070 5.279 -13.619 1.00 22.22 H new ATOM 0 HE3 LYS A 63 5.971 4.485 -12.508 1.00 22.22 H new ATOM 0 HZ1 LYS A 63 6.048 4.006 -15.131 1.00 71.52 H new ATOM 0 HZ2 LYS A 63 4.670 3.757 -14.171 1.00 71.52 H new ATOM 0 HZ3 LYS A 63 4.822 5.179 -15.087 1.00 71.52 H new ATOM 1055 N ASP A 64 4.704 11.176 -9.493 1.00 21.55 N ATOM 1056 CA ASP A 64 4.350 12.588 -9.266 1.00 53.35 C ATOM 1057 C ASP A 64 5.366 13.262 -8.297 1.00 12.42 C ATOM 1058 O ASP A 64 5.867 14.357 -8.577 1.00 14.33 O ATOM 1059 CB ASP A 64 2.905 12.681 -8.714 1.00 32.13 C ATOM 1060 CG ASP A 64 2.385 14.126 -8.629 1.00 20.43 C ATOM 1061 OD1 ASP A 64 1.842 14.632 -9.636 1.00 73.33 O ATOM 1062 OD2 ASP A 64 2.532 14.771 -7.571 1.00 44.03 O ATOM 0 H ASP A 64 4.120 10.517 -8.977 1.00 21.55 H new ATOM 0 HA ASP A 64 4.396 13.124 -10.214 1.00 53.35 H new ATOM 0 HB2 ASP A 64 2.240 12.099 -9.352 1.00 32.13 H new ATOM 0 HB3 ASP A 64 2.871 12.230 -7.722 1.00 32.13 H new ATOM 1067 N ALA A 65 5.665 12.586 -7.165 1.00 51.33 N ATOM 1068 CA ALA A 65 6.588 13.104 -6.124 1.00 0.41 C ATOM 1069 C ALA A 65 7.431 11.960 -5.477 1.00 61.24 C ATOM 1070 O ALA A 65 6.959 11.272 -4.560 1.00 61.41 O ATOM 1071 CB ALA A 65 5.791 13.873 -5.056 1.00 64.21 C ATOM 0 H ALA A 65 5.276 11.669 -6.946 1.00 51.33 H new ATOM 0 HA ALA A 65 7.291 13.786 -6.602 1.00 0.41 H new ATOM 0 HB1 ALA A 65 6.473 14.251 -4.295 1.00 64.21 H new ATOM 0 HB2 ALA A 65 5.269 14.709 -5.523 1.00 64.21 H new ATOM 0 HB3 ALA A 65 5.065 13.205 -4.593 1.00 64.21 H new ATOM 1077 N PRO A 66 8.686 11.701 -5.984 1.00 51.33 N ATOM 1078 CA PRO A 66 9.618 10.712 -5.387 1.00 71.00 C ATOM 1079 C PRO A 66 10.427 11.312 -4.200 1.00 10.32 C ATOM 1080 O PRO A 66 11.394 12.054 -4.406 1.00 32.14 O ATOM 1081 CB PRO A 66 10.547 10.322 -6.591 1.00 1.01 C ATOM 1082 CG PRO A 66 10.071 11.145 -7.769 1.00 64.03 C ATOM 1083 CD PRO A 66 9.291 12.305 -7.191 1.00 22.13 C ATOM 0 HA PRO A 66 9.102 9.855 -4.953 1.00 71.00 H new ATOM 0 HB2 PRO A 66 11.591 10.535 -6.363 1.00 1.01 H new ATOM 0 HB3 PRO A 66 10.479 9.256 -6.807 1.00 1.01 H new ATOM 0 HG2 PRO A 66 10.915 11.500 -8.361 1.00 64.03 H new ATOM 0 HG3 PRO A 66 9.445 10.548 -8.432 1.00 64.03 H new ATOM 0 HD2 PRO A 66 9.937 13.148 -6.945 1.00 22.13 H new ATOM 0 HD3 PRO A 66 8.535 12.674 -7.885 1.00 22.13 H new ATOM 1091 N ASN A 67 10.019 10.993 -2.958 1.00 61.20 N ATOM 1092 CA ASN A 67 10.706 11.488 -1.728 1.00 61.25 C ATOM 1093 C ASN A 67 11.650 10.412 -1.104 1.00 62.05 C ATOM 1094 O ASN A 67 11.918 10.453 0.103 1.00 14.05 O ATOM 1095 CB ASN A 67 9.646 11.973 -0.690 1.00 65.23 C ATOM 1096 CG ASN A 67 8.604 10.918 -0.294 1.00 71.32 C ATOM 1097 OD1 ASN A 67 8.814 9.728 -0.440 1.00 21.50 O ATOM 1098 ND2 ASN A 67 7.498 11.346 0.263 1.00 15.23 N ATOM 0 H ASN A 67 9.216 10.394 -2.769 1.00 61.20 H new ATOM 0 HA ASN A 67 11.339 12.328 -2.013 1.00 61.25 H new ATOM 0 HB2 ASN A 67 10.164 12.307 0.209 1.00 65.23 H new ATOM 0 HB3 ASN A 67 9.127 12.840 -1.099 1.00 65.23 H new ATOM 0 HD21 ASN A 67 6.796 10.678 0.582 1.00 15.23 H new ATOM 0 HD22 ASN A 67 7.339 12.347 0.377 1.00 15.23 H new ATOM 1105 N ALA A 68 12.152 9.479 -1.957 1.00 31.12 N ATOM 1106 CA ALA A 68 13.054 8.349 -1.578 1.00 41.44 C ATOM 1107 C ALA A 68 12.317 7.210 -0.819 1.00 32.42 C ATOM 1108 O ALA A 68 12.260 6.075 -1.306 1.00 24.32 O ATOM 1109 CB ALA A 68 14.307 8.830 -0.809 1.00 14.33 C ATOM 0 H ALA A 68 11.937 9.489 -2.954 1.00 31.12 H new ATOM 0 HA ALA A 68 13.398 7.919 -2.519 1.00 41.44 H new ATOM 0 HB1 ALA A 68 14.930 7.972 -0.556 1.00 14.33 H new ATOM 0 HB2 ALA A 68 14.875 9.520 -1.434 1.00 14.33 H new ATOM 0 HB3 ALA A 68 14.000 9.338 0.105 1.00 14.33 H new ATOM 1115 N VAL A 69 11.755 7.518 0.371 1.00 60.34 N ATOM 1116 CA VAL A 69 11.002 6.538 1.201 1.00 51.10 C ATOM 1117 C VAL A 69 9.776 5.940 0.445 1.00 55.04 C ATOM 1118 O VAL A 69 9.439 4.770 0.639 1.00 65.21 O ATOM 1119 CB VAL A 69 10.566 7.179 2.578 1.00 44.33 C ATOM 1120 CG1 VAL A 69 9.686 8.435 2.387 1.00 32.52 C ATOM 1121 CG2 VAL A 69 9.869 6.146 3.506 1.00 5.32 C ATOM 0 H VAL A 69 11.808 8.448 0.786 1.00 60.34 H new ATOM 0 HA VAL A 69 11.679 5.710 1.409 1.00 51.10 H new ATOM 0 HB VAL A 69 11.485 7.498 3.070 1.00 44.33 H new ATOM 0 HG11 VAL A 69 9.412 8.839 3.362 1.00 32.52 H new ATOM 0 HG12 VAL A 69 10.241 9.186 1.826 1.00 32.52 H new ATOM 0 HG13 VAL A 69 8.783 8.167 1.839 1.00 32.52 H new ATOM 0 HG21 VAL A 69 9.586 6.630 4.441 1.00 5.32 H new ATOM 0 HG22 VAL A 69 8.977 5.758 3.014 1.00 5.32 H new ATOM 0 HG23 VAL A 69 10.554 5.324 3.715 1.00 5.32 H new ATOM 1131 N MET A 70 9.152 6.743 -0.445 1.00 15.31 N ATOM 1132 CA MET A 70 8.030 6.294 -1.316 1.00 64.21 C ATOM 1133 C MET A 70 8.442 5.050 -2.158 1.00 71.34 C ATOM 1134 O MET A 70 7.744 4.030 -2.173 1.00 33.04 O ATOM 1135 CB MET A 70 7.602 7.463 -2.258 1.00 74.10 C ATOM 1136 CG MET A 70 6.185 7.359 -2.833 1.00 14.10 C ATOM 1137 SD MET A 70 4.916 7.502 -1.551 1.00 64.25 S ATOM 1138 CE MET A 70 3.419 7.610 -2.530 1.00 23.42 C ATOM 0 H MET A 70 9.408 7.721 -0.584 1.00 15.31 H new ATOM 0 HA MET A 70 7.189 6.009 -0.683 1.00 64.21 H new ATOM 0 HB2 MET A 70 7.684 8.400 -1.707 1.00 74.10 H new ATOM 0 HB3 MET A 70 8.309 7.517 -3.086 1.00 74.10 H new ATOM 0 HG2 MET A 70 6.038 8.142 -3.577 1.00 14.10 H new ATOM 0 HG3 MET A 70 6.073 6.405 -3.348 1.00 14.10 H new ATOM 0 HE1 MET A 70 2.551 7.505 -1.880 1.00 23.42 H new ATOM 0 HE2 MET A 70 3.382 8.577 -3.032 1.00 23.42 H new ATOM 0 HE3 MET A 70 3.413 6.814 -3.274 1.00 23.42 H new ATOM 1148 N GLU A 71 9.621 5.165 -2.812 1.00 2.20 N ATOM 1149 CA GLU A 71 10.212 4.115 -3.681 1.00 72.03 C ATOM 1150 C GLU A 71 10.479 2.797 -2.917 1.00 4.31 C ATOM 1151 O GLU A 71 10.267 1.701 -3.458 1.00 51.41 O ATOM 1152 CB GLU A 71 11.541 4.651 -4.274 1.00 15.24 C ATOM 1153 CG GLU A 71 12.282 3.680 -5.223 1.00 54.04 C ATOM 1154 CD GLU A 71 13.603 4.257 -5.753 1.00 64.23 C ATOM 1155 OE1 GLU A 71 14.500 4.540 -4.932 1.00 40.24 O ATOM 1156 OE2 GLU A 71 13.741 4.462 -6.977 1.00 45.23 O ATOM 0 H GLU A 71 10.200 6.003 -2.751 1.00 2.20 H new ATOM 0 HA GLU A 71 9.496 3.888 -4.471 1.00 72.03 H new ATOM 0 HB2 GLU A 71 11.332 5.573 -4.816 1.00 15.24 H new ATOM 0 HB3 GLU A 71 12.208 4.909 -3.452 1.00 15.24 H new ATOM 0 HG2 GLU A 71 12.484 2.748 -4.696 1.00 54.04 H new ATOM 0 HG3 GLU A 71 11.634 3.436 -6.065 1.00 54.04 H new ATOM 1163 N GLN A 72 10.948 2.936 -1.659 1.00 73.24 N ATOM 1164 CA GLN A 72 11.260 1.798 -0.761 1.00 50.44 C ATOM 1165 C GLN A 72 10.047 0.846 -0.634 1.00 61.54 C ATOM 1166 O GLN A 72 10.182 -0.380 -0.722 1.00 13.35 O ATOM 1167 CB GLN A 72 11.710 2.367 0.624 1.00 32.44 C ATOM 1168 CG GLN A 72 12.214 1.343 1.683 1.00 1.21 C ATOM 1169 CD GLN A 72 11.122 0.787 2.615 1.00 71.34 C ATOM 1170 OE1 GLN A 72 10.831 1.358 3.657 1.00 14.12 O ATOM 1171 NE2 GLN A 72 10.540 -0.336 2.266 1.00 70.02 N ATOM 0 H GLN A 72 11.123 3.846 -1.233 1.00 73.24 H new ATOM 0 HA GLN A 72 12.073 1.204 -1.178 1.00 50.44 H new ATOM 0 HB2 GLN A 72 12.505 3.092 0.449 1.00 32.44 H new ATOM 0 HB3 GLN A 72 10.870 2.913 1.054 1.00 32.44 H new ATOM 0 HG2 GLN A 72 12.688 0.510 1.165 1.00 1.21 H new ATOM 0 HG3 GLN A 72 12.983 1.819 2.291 1.00 1.21 H new ATOM 0 HE21 GLN A 72 10.799 -0.794 1.392 1.00 70.02 H new ATOM 0 HE22 GLN A 72 9.829 -0.750 2.868 1.00 70.02 H new ATOM 1180 N LEU A 73 8.856 1.444 -0.459 1.00 35.52 N ATOM 1181 CA LEU A 73 7.593 0.693 -0.329 1.00 42.33 C ATOM 1182 C LEU A 73 7.055 0.146 -1.668 1.00 10.32 C ATOM 1183 O LEU A 73 6.351 -0.862 -1.643 1.00 72.23 O ATOM 1184 CB LEU A 73 6.512 1.514 0.421 1.00 22.12 C ATOM 1185 CG LEU A 73 6.727 1.657 1.970 1.00 51.55 C ATOM 1186 CD1 LEU A 73 7.020 0.285 2.630 1.00 24.24 C ATOM 1187 CD2 LEU A 73 7.814 2.699 2.319 1.00 70.34 C ATOM 0 H LEU A 73 8.741 2.456 -0.404 1.00 35.52 H new ATOM 0 HA LEU A 73 7.835 -0.182 0.275 1.00 42.33 H new ATOM 0 HB2 LEU A 73 6.470 2.512 -0.016 1.00 22.12 H new ATOM 0 HB3 LEU A 73 5.542 1.049 0.248 1.00 22.12 H new ATOM 0 HG LEU A 73 5.791 2.031 2.385 1.00 51.55 H new ATOM 0 HD11 LEU A 73 7.164 0.420 3.702 1.00 24.24 H new ATOM 0 HD12 LEU A 73 6.180 -0.388 2.459 1.00 24.24 H new ATOM 0 HD13 LEU A 73 7.923 -0.143 2.194 1.00 24.24 H new ATOM 0 HD21 LEU A 73 7.925 2.761 3.402 1.00 70.34 H new ATOM 0 HD22 LEU A 73 8.762 2.398 1.874 1.00 70.34 H new ATOM 0 HD23 LEU A 73 7.522 3.674 1.928 1.00 70.34 H new ATOM 1199 N LEU A 74 7.354 0.807 -2.820 1.00 41.24 N ATOM 1200 CA LEU A 74 6.974 0.269 -4.167 1.00 70.11 C ATOM 1201 C LEU A 74 7.456 -1.199 -4.327 1.00 11.44 C ATOM 1202 O LEU A 74 6.660 -2.089 -4.665 1.00 25.52 O ATOM 1203 CB LEU A 74 7.539 1.151 -5.342 1.00 75.52 C ATOM 1204 CG LEU A 74 6.592 2.259 -5.924 1.00 54.15 C ATOM 1205 CD1 LEU A 74 5.285 1.654 -6.492 1.00 24.32 C ATOM 1206 CD2 LEU A 74 6.293 3.356 -4.891 1.00 44.12 C ATOM 0 H LEU A 74 7.848 1.699 -2.850 1.00 41.24 H new ATOM 0 HA LEU A 74 5.886 0.300 -4.225 1.00 70.11 H new ATOM 0 HB2 LEU A 74 8.451 1.635 -4.993 1.00 75.52 H new ATOM 0 HB3 LEU A 74 7.823 0.486 -6.158 1.00 75.52 H new ATOM 0 HG LEU A 74 7.125 2.727 -6.752 1.00 54.15 H new ATOM 0 HD11 LEU A 74 4.656 2.452 -6.886 1.00 24.32 H new ATOM 0 HD12 LEU A 74 5.526 0.954 -7.292 1.00 24.32 H new ATOM 0 HD13 LEU A 74 4.752 1.129 -5.699 1.00 24.32 H new ATOM 0 HD21 LEU A 74 5.634 4.103 -5.334 1.00 44.12 H new ATOM 0 HD22 LEU A 74 5.807 2.914 -4.021 1.00 44.12 H new ATOM 0 HD23 LEU A 74 7.225 3.830 -4.584 1.00 44.12 H new ATOM 1218 N GLU A 75 8.750 -1.438 -4.019 1.00 24.03 N ATOM 1219 CA GLU A 75 9.355 -2.790 -4.089 1.00 13.20 C ATOM 1220 C GLU A 75 8.744 -3.748 -3.033 1.00 4.33 C ATOM 1221 O GLU A 75 8.662 -4.953 -3.261 1.00 70.24 O ATOM 1222 CB GLU A 75 10.901 -2.728 -3.917 1.00 34.52 C ATOM 1223 CG GLU A 75 11.622 -4.062 -4.235 1.00 41.32 C ATOM 1224 CD GLU A 75 13.115 -4.067 -3.864 1.00 53.32 C ATOM 1225 OE1 GLU A 75 13.451 -4.433 -2.709 1.00 64.32 O ATOM 1226 OE2 GLU A 75 13.958 -3.716 -4.718 1.00 5.53 O ATOM 0 H GLU A 75 9.399 -0.711 -3.718 1.00 24.03 H new ATOM 0 HA GLU A 75 9.129 -3.185 -5.080 1.00 13.20 H new ATOM 0 HB2 GLU A 75 11.298 -1.948 -4.567 1.00 34.52 H new ATOM 0 HB3 GLU A 75 11.131 -2.437 -2.892 1.00 34.52 H new ATOM 0 HG2 GLU A 75 11.122 -4.870 -3.701 1.00 41.32 H new ATOM 0 HG3 GLU A 75 11.521 -4.273 -5.300 1.00 41.32 H new ATOM 1233 N GLU A 76 8.309 -3.205 -1.883 1.00 65.12 N ATOM 1234 CA GLU A 76 7.701 -4.018 -0.800 1.00 51.03 C ATOM 1235 C GLU A 76 6.269 -4.494 -1.136 1.00 32.03 C ATOM 1236 O GLU A 76 5.854 -5.563 -0.674 1.00 21.04 O ATOM 1237 CB GLU A 76 7.745 -3.257 0.546 1.00 4.25 C ATOM 1238 CG GLU A 76 9.171 -2.978 1.064 1.00 32.02 C ATOM 1239 CD GLU A 76 10.017 -4.255 1.282 1.00 21.21 C ATOM 1240 OE1 GLU A 76 9.850 -4.919 2.330 1.00 62.24 O ATOM 1241 OE2 GLU A 76 10.853 -4.602 0.408 1.00 72.12 O ATOM 0 H GLU A 76 8.364 -2.208 -1.674 1.00 65.12 H new ATOM 0 HA GLU A 76 8.304 -4.921 -0.705 1.00 51.03 H new ATOM 0 HB2 GLU A 76 7.219 -2.309 0.433 1.00 4.25 H new ATOM 0 HB3 GLU A 76 7.204 -3.834 1.296 1.00 4.25 H new ATOM 0 HG2 GLU A 76 9.685 -2.330 0.354 1.00 32.02 H new ATOM 0 HG3 GLU A 76 9.105 -2.432 2.005 1.00 32.02 H new ATOM 1248 N ILE A 77 5.520 -3.724 -1.958 1.00 71.55 N ATOM 1249 CA ILE A 77 4.184 -4.159 -2.441 1.00 45.50 C ATOM 1250 C ILE A 77 4.356 -5.319 -3.448 1.00 34.34 C ATOM 1251 O ILE A 77 3.526 -6.215 -3.523 1.00 4.01 O ATOM 1252 CB ILE A 77 3.380 -2.990 -3.114 1.00 12.41 C ATOM 1253 CG1 ILE A 77 3.357 -1.723 -2.202 1.00 54.01 C ATOM 1254 CG2 ILE A 77 1.926 -3.439 -3.448 1.00 74.14 C ATOM 1255 CD1 ILE A 77 2.897 -0.462 -2.905 1.00 43.51 C ATOM 0 H ILE A 77 5.811 -2.808 -2.299 1.00 71.55 H new ATOM 0 HA ILE A 77 3.611 -4.488 -1.574 1.00 45.50 H new ATOM 0 HB ILE A 77 3.888 -2.733 -4.044 1.00 12.41 H new ATOM 0 HG12 ILE A 77 2.701 -1.912 -1.352 1.00 54.01 H new ATOM 0 HG13 ILE A 77 4.357 -1.559 -1.802 1.00 54.01 H new ATOM 0 HG21 ILE A 77 1.388 -2.613 -3.913 1.00 74.14 H new ATOM 0 HG22 ILE A 77 1.955 -4.286 -4.134 1.00 74.14 H new ATOM 0 HG23 ILE A 77 1.416 -3.733 -2.531 1.00 74.14 H new ATOM 0 HD11 ILE A 77 2.910 0.371 -2.203 1.00 43.51 H new ATOM 0 HD12 ILE A 77 3.566 -0.245 -3.738 1.00 43.51 H new ATOM 0 HD13 ILE A 77 1.884 -0.604 -3.281 1.00 43.51 H new ATOM 1267 N GLU A 78 5.467 -5.270 -4.214 1.00 44.33 N ATOM 1268 CA GLU A 78 5.904 -6.368 -5.108 1.00 11.23 C ATOM 1269 C GLU A 78 6.122 -7.677 -4.303 1.00 24.32 C ATOM 1270 O GLU A 78 5.643 -8.743 -4.697 1.00 73.21 O ATOM 1271 CB GLU A 78 7.217 -5.945 -5.818 1.00 63.44 C ATOM 1272 CG GLU A 78 7.809 -6.976 -6.797 1.00 75.13 C ATOM 1273 CD GLU A 78 9.268 -6.659 -7.184 1.00 5.53 C ATOM 1274 OE1 GLU A 78 9.484 -5.811 -8.074 1.00 55.15 O ATOM 1275 OE2 GLU A 78 10.204 -7.239 -6.577 1.00 35.44 O ATOM 0 H GLU A 78 6.091 -4.463 -4.231 1.00 44.33 H new ATOM 0 HA GLU A 78 5.130 -6.559 -5.851 1.00 11.23 H new ATOM 0 HB2 GLU A 78 7.032 -5.019 -6.362 1.00 63.44 H new ATOM 0 HB3 GLU A 78 7.965 -5.723 -5.057 1.00 63.44 H new ATOM 0 HG2 GLU A 78 7.764 -7.967 -6.346 1.00 75.13 H new ATOM 0 HG3 GLU A 78 7.197 -7.008 -7.698 1.00 75.13 H new ATOM 1282 N LYS A 79 6.834 -7.556 -3.159 1.00 61.12 N ATOM 1283 CA LYS A 79 7.075 -8.679 -2.214 1.00 25.43 C ATOM 1284 C LYS A 79 5.735 -9.266 -1.690 1.00 31.52 C ATOM 1285 O LYS A 79 5.564 -10.492 -1.592 1.00 23.51 O ATOM 1286 CB LYS A 79 7.922 -8.204 -0.990 1.00 33.24 C ATOM 1287 CG LYS A 79 9.203 -7.415 -1.323 1.00 71.11 C ATOM 1288 CD LYS A 79 10.271 -8.221 -2.094 1.00 2.31 C ATOM 1289 CE LYS A 79 11.495 -7.356 -2.452 1.00 61.40 C ATOM 1290 NZ LYS A 79 12.115 -6.705 -1.259 1.00 42.42 N ATOM 0 H LYS A 79 7.259 -6.678 -2.862 1.00 61.12 H new ATOM 0 HA LYS A 79 7.619 -9.448 -2.762 1.00 25.43 H new ATOM 0 HB2 LYS A 79 7.291 -7.583 -0.355 1.00 33.24 H new ATOM 0 HB3 LYS A 79 8.200 -9.080 -0.403 1.00 33.24 H new ATOM 0 HG2 LYS A 79 8.932 -6.539 -1.912 1.00 71.11 H new ATOM 0 HG3 LYS A 79 9.642 -7.051 -0.394 1.00 71.11 H new ATOM 0 HD2 LYS A 79 10.591 -9.071 -1.491 1.00 2.31 H new ATOM 0 HD3 LYS A 79 9.832 -8.625 -3.006 1.00 2.31 H new ATOM 0 HE2 LYS A 79 12.240 -7.977 -2.949 1.00 61.40 H new ATOM 0 HE3 LYS A 79 11.195 -6.587 -3.164 1.00 61.40 H new ATOM 0 HZ1 LYS A 79 12.962 -6.178 -1.552 1.00 42.42 H new ATOM 0 HZ2 LYS A 79 11.432 -6.050 -0.827 1.00 42.42 H new ATOM 0 HZ3 LYS A 79 12.383 -7.433 -0.566 1.00 42.42 H new ATOM 1304 N LEU A 80 4.806 -8.343 -1.351 1.00 11.21 N ATOM 1305 CA LEU A 80 3.456 -8.663 -0.832 1.00 64.04 C ATOM 1306 C LEU A 80 2.646 -9.463 -1.887 1.00 33.14 C ATOM 1307 O LEU A 80 2.024 -10.468 -1.556 1.00 2.45 O ATOM 1308 CB LEU A 80 2.720 -7.326 -0.447 1.00 33.42 C ATOM 1309 CG LEU A 80 1.673 -7.371 0.726 1.00 74.33 C ATOM 1310 CD1 LEU A 80 1.104 -5.965 1.011 1.00 23.21 C ATOM 1311 CD2 LEU A 80 0.535 -8.386 0.493 1.00 70.21 C ATOM 0 H LEU A 80 4.975 -7.340 -1.431 1.00 11.21 H new ATOM 0 HA LEU A 80 3.544 -9.286 0.058 1.00 64.04 H new ATOM 0 HB2 LEU A 80 3.480 -6.589 -0.188 1.00 33.42 H new ATOM 0 HB3 LEU A 80 2.209 -6.958 -1.337 1.00 33.42 H new ATOM 0 HG LEU A 80 2.217 -7.718 1.604 1.00 74.33 H new ATOM 0 HD11 LEU A 80 0.382 -6.023 1.826 1.00 23.21 H new ATOM 0 HD12 LEU A 80 1.916 -5.294 1.292 1.00 23.21 H new ATOM 0 HD13 LEU A 80 0.611 -5.584 0.117 1.00 23.21 H new ATOM 0 HD21 LEU A 80 -0.151 -8.365 1.340 1.00 70.21 H new ATOM 0 HD22 LEU A 80 -0.005 -8.125 -0.417 1.00 70.21 H new ATOM 0 HD23 LEU A 80 0.955 -9.387 0.391 1.00 70.21 H new ATOM 1323 N LEU A 81 2.673 -8.987 -3.151 1.00 2.43 N ATOM 1324 CA LEU A 81 1.965 -9.632 -4.283 1.00 74.42 C ATOM 1325 C LEU A 81 2.460 -11.075 -4.511 1.00 34.42 C ATOM 1326 O LEU A 81 1.652 -11.993 -4.633 1.00 61.43 O ATOM 1327 CB LEU A 81 2.139 -8.788 -5.583 1.00 43.31 C ATOM 1328 CG LEU A 81 1.435 -7.392 -5.590 1.00 63.34 C ATOM 1329 CD1 LEU A 81 1.784 -6.584 -6.860 1.00 13.14 C ATOM 1330 CD2 LEU A 81 -0.095 -7.542 -5.429 1.00 42.45 C ATOM 0 H LEU A 81 3.185 -8.146 -3.417 1.00 2.43 H new ATOM 0 HA LEU A 81 0.906 -9.679 -4.029 1.00 74.42 H new ATOM 0 HB2 LEU A 81 3.205 -8.637 -5.755 1.00 43.31 H new ATOM 0 HB3 LEU A 81 1.760 -9.369 -6.424 1.00 43.31 H new ATOM 0 HG LEU A 81 1.811 -6.832 -4.734 1.00 63.34 H new ATOM 0 HD11 LEU A 81 1.276 -5.620 -6.829 1.00 13.14 H new ATOM 0 HD12 LEU A 81 2.861 -6.425 -6.906 1.00 13.14 H new ATOM 0 HD13 LEU A 81 1.461 -7.136 -7.743 1.00 13.14 H new ATOM 0 HD21 LEU A 81 -0.560 -6.556 -5.437 1.00 42.45 H new ATOM 0 HD22 LEU A 81 -0.491 -8.137 -6.252 1.00 42.45 H new ATOM 0 HD23 LEU A 81 -0.314 -8.039 -4.484 1.00 42.45 H new ATOM 1342 N LYS A 82 3.795 -11.253 -4.528 1.00 43.50 N ATOM 1343 CA LYS A 82 4.447 -12.568 -4.757 1.00 51.43 C ATOM 1344 C LYS A 82 4.021 -13.639 -3.715 1.00 11.12 C ATOM 1345 O LYS A 82 3.874 -14.821 -4.054 1.00 74.25 O ATOM 1346 CB LYS A 82 5.991 -12.391 -4.782 1.00 41.23 C ATOM 1347 CG LYS A 82 6.501 -11.581 -6.002 1.00 22.00 C ATOM 1348 CD LYS A 82 8.016 -11.279 -5.945 1.00 21.52 C ATOM 1349 CE LYS A 82 8.520 -10.545 -7.200 1.00 71.44 C ATOM 1350 NZ LYS A 82 9.948 -10.142 -7.083 1.00 13.02 N ATOM 0 H LYS A 82 4.458 -10.491 -4.384 1.00 43.50 H new ATOM 0 HA LYS A 82 4.111 -12.939 -5.725 1.00 51.43 H new ATOM 0 HB2 LYS A 82 6.306 -11.891 -3.866 1.00 41.23 H new ATOM 0 HB3 LYS A 82 6.461 -13.374 -4.786 1.00 41.23 H new ATOM 0 HG2 LYS A 82 6.282 -12.135 -6.915 1.00 22.00 H new ATOM 0 HG3 LYS A 82 5.952 -10.641 -6.061 1.00 22.00 H new ATOM 0 HD2 LYS A 82 8.229 -10.673 -5.064 1.00 21.52 H new ATOM 0 HD3 LYS A 82 8.565 -12.214 -5.830 1.00 21.52 H new ATOM 0 HE2 LYS A 82 8.397 -11.190 -8.070 1.00 71.44 H new ATOM 0 HE3 LYS A 82 7.908 -9.660 -7.371 1.00 71.44 H new ATOM 0 HZ1 LYS A 82 10.436 -10.326 -7.983 1.00 13.02 H new ATOM 0 HZ2 LYS A 82 10.005 -9.128 -6.859 1.00 13.02 H new ATOM 0 HZ3 LYS A 82 10.402 -10.690 -6.325 1.00 13.02 H new ATOM 1364 N LYS A 83 3.861 -13.223 -2.447 1.00 41.03 N ATOM 1365 CA LYS A 83 3.317 -14.092 -1.370 1.00 24.31 C ATOM 1366 C LYS A 83 1.780 -14.303 -1.497 1.00 34.40 C ATOM 1367 O LYS A 83 1.291 -15.436 -1.553 1.00 5.52 O ATOM 1368 CB LYS A 83 3.650 -13.490 0.018 1.00 22.31 C ATOM 1369 CG LYS A 83 5.151 -13.419 0.363 1.00 2.35 C ATOM 1370 CD LYS A 83 5.819 -14.813 0.389 1.00 11.24 C ATOM 1371 CE LYS A 83 7.295 -14.758 0.805 1.00 24.31 C ATOM 1372 NZ LYS A 83 7.942 -16.097 0.725 1.00 30.00 N ATOM 0 H LYS A 83 4.101 -12.283 -2.133 1.00 41.03 H new ATOM 0 HA LYS A 83 3.791 -15.068 -1.475 1.00 24.31 H new ATOM 0 HB2 LYS A 83 3.235 -12.483 0.068 1.00 22.31 H new ATOM 0 HB3 LYS A 83 3.146 -14.081 0.782 1.00 22.31 H new ATOM 0 HG2 LYS A 83 5.659 -12.790 -0.368 1.00 2.35 H new ATOM 0 HG3 LYS A 83 5.275 -12.942 1.335 1.00 2.35 H new ATOM 0 HD2 LYS A 83 5.276 -15.458 1.079 1.00 11.24 H new ATOM 0 HD3 LYS A 83 5.742 -15.266 -0.599 1.00 11.24 H new ATOM 0 HE2 LYS A 83 7.828 -14.058 0.162 1.00 24.31 H new ATOM 0 HE3 LYS A 83 7.372 -14.377 1.824 1.00 24.31 H new ATOM 0 HZ1 LYS A 83 8.938 -16.019 1.014 1.00 30.00 H new ATOM 0 HZ2 LYS A 83 7.449 -16.759 1.358 1.00 30.00 H new ATOM 0 HZ3 LYS A 83 7.891 -16.449 -0.252 1.00 30.00 H new ATOM 1386 N ALA A 84 1.039 -13.183 -1.552 1.00 65.20 N ATOM 1387 CA ALA A 84 -0.442 -13.164 -1.423 1.00 62.44 C ATOM 1388 C ALA A 84 -1.159 -13.162 -2.799 1.00 10.33 C ATOM 1389 O ALA A 84 -2.219 -12.538 -2.961 1.00 44.42 O ATOM 1390 CB ALA A 84 -0.852 -11.936 -0.582 1.00 62.03 C ATOM 0 H ALA A 84 1.445 -12.257 -1.688 1.00 65.20 H new ATOM 0 HA ALA A 84 -0.756 -14.080 -0.922 1.00 62.44 H new ATOM 0 HB1 ALA A 84 -1.937 -11.911 -0.480 1.00 62.03 H new ATOM 0 HB2 ALA A 84 -0.396 -12.003 0.406 1.00 62.03 H new ATOM 0 HB3 ALA A 84 -0.513 -11.026 -1.077 1.00 62.03 H new ATOM 1396 N GLY A 85 -0.601 -13.900 -3.775 1.00 32.33 N ATOM 1397 CA GLY A 85 -1.236 -14.060 -5.094 1.00 5.31 C ATOM 1398 C GLY A 85 -0.233 -14.398 -6.195 1.00 3.41 C ATOM 1399 O GLY A 85 -0.113 -15.565 -6.598 1.00 63.34 O ATOM 0 H GLY A 85 0.286 -14.394 -3.675 1.00 32.33 H new ATOM 0 HA2 GLY A 85 -1.987 -14.848 -5.038 1.00 5.31 H new ATOM 0 HA3 GLY A 85 -1.759 -13.140 -5.355 1.00 5.31 H new ATOM 1403 N SER A 86 0.487 -13.356 -6.673 1.00 43.25 N ATOM 1404 CA SER A 86 1.451 -13.445 -7.811 1.00 42.31 C ATOM 1405 C SER A 86 0.719 -13.834 -9.129 1.00 63.53 C ATOM 1406 O SER A 86 -0.515 -13.715 -9.202 1.00 62.11 O ATOM 1407 CB SER A 86 2.622 -14.416 -7.478 1.00 34.24 C ATOM 1408 OG SER A 86 3.681 -14.328 -8.428 1.00 13.30 O ATOM 0 H SER A 86 0.419 -12.417 -6.280 1.00 43.25 H new ATOM 0 HA SER A 86 1.891 -12.460 -7.967 1.00 42.31 H new ATOM 0 HB2 SER A 86 3.008 -14.190 -6.484 1.00 34.24 H new ATOM 0 HB3 SER A 86 2.246 -15.439 -7.449 1.00 34.24 H new ATOM 0 HG SER A 86 4.395 -14.952 -8.181 1.00 13.30 H new ATOM 1414 N LEU A 87 1.486 -14.244 -10.177 1.00 40.23 N ATOM 1415 CA LEU A 87 0.931 -14.669 -11.494 1.00 33.21 C ATOM 1416 C LEU A 87 0.097 -13.517 -12.151 1.00 43.24 C ATOM 1417 O LEU A 87 -0.839 -13.746 -12.926 1.00 23.03 O ATOM 1418 CB LEU A 87 0.103 -15.987 -11.310 1.00 24.20 C ATOM 1419 CG LEU A 87 -0.332 -16.747 -12.608 1.00 22.30 C ATOM 1420 CD1 LEU A 87 0.889 -17.218 -13.428 1.00 60.13 C ATOM 1421 CD2 LEU A 87 -1.281 -17.923 -12.277 1.00 5.21 C ATOM 0 H LEU A 87 2.504 -14.289 -10.133 1.00 40.23 H new ATOM 0 HA LEU A 87 1.748 -14.882 -12.184 1.00 33.21 H new ATOM 0 HB2 LEU A 87 0.690 -16.672 -10.698 1.00 24.20 H new ATOM 0 HB3 LEU A 87 -0.796 -15.745 -10.743 1.00 24.20 H new ATOM 0 HG LEU A 87 -0.885 -16.043 -13.230 1.00 22.30 H new ATOM 0 HD11 LEU A 87 0.548 -17.741 -14.321 1.00 60.13 H new ATOM 0 HD12 LEU A 87 1.487 -16.354 -13.720 1.00 60.13 H new ATOM 0 HD13 LEU A 87 1.496 -17.891 -12.823 1.00 60.13 H new ATOM 0 HD21 LEU A 87 -1.566 -18.431 -13.198 1.00 5.21 H new ATOM 0 HD22 LEU A 87 -0.773 -18.626 -11.617 1.00 5.21 H new ATOM 0 HD23 LEU A 87 -2.174 -17.542 -11.782 1.00 5.21 H new ATOM 1433 N VAL A 88 0.490 -12.264 -11.838 1.00 4.41 N ATOM 1434 CA VAL A 88 -0.222 -11.050 -12.292 1.00 21.32 C ATOM 1435 C VAL A 88 -0.156 -10.890 -13.846 1.00 22.40 C ATOM 1436 O VAL A 88 0.932 -10.936 -14.435 1.00 0.53 O ATOM 1437 CB VAL A 88 0.318 -9.760 -11.552 1.00 13.11 C ATOM 1438 CG1 VAL A 88 -0.003 -9.821 -10.037 1.00 61.45 C ATOM 1439 CG2 VAL A 88 1.837 -9.544 -11.778 1.00 14.23 C ATOM 0 H VAL A 88 1.309 -12.065 -11.264 1.00 4.41 H new ATOM 0 HA VAL A 88 -1.272 -11.167 -12.026 1.00 21.32 H new ATOM 0 HB VAL A 88 -0.198 -8.904 -11.988 1.00 13.11 H new ATOM 0 HG11 VAL A 88 0.377 -8.924 -9.548 1.00 61.45 H new ATOM 0 HG12 VAL A 88 -1.082 -9.881 -9.896 1.00 61.45 H new ATOM 0 HG13 VAL A 88 0.470 -10.701 -9.600 1.00 61.45 H new ATOM 0 HG21 VAL A 88 2.159 -8.646 -11.250 1.00 14.23 H new ATOM 0 HG22 VAL A 88 2.387 -10.405 -11.399 1.00 14.23 H new ATOM 0 HG23 VAL A 88 2.033 -9.428 -12.844 1.00 14.23 H new ATOM 1449 N PRO A 89 -1.333 -10.744 -14.546 1.00 51.35 N ATOM 1450 CA PRO A 89 -1.391 -10.677 -16.039 1.00 4.11 C ATOM 1451 C PRO A 89 -0.740 -9.392 -16.629 1.00 71.43 C ATOM 1452 O PRO A 89 -0.437 -9.331 -17.824 1.00 71.41 O ATOM 1453 CB PRO A 89 -2.914 -10.756 -16.353 1.00 44.25 C ATOM 1454 CG PRO A 89 -3.556 -11.217 -15.071 1.00 30.13 C ATOM 1455 CD PRO A 89 -2.698 -10.649 -13.965 1.00 71.40 C ATOM 0 HA PRO A 89 -0.817 -11.481 -16.499 1.00 4.11 H new ATOM 0 HB2 PRO A 89 -3.303 -9.786 -16.662 1.00 44.25 H new ATOM 0 HB3 PRO A 89 -3.113 -11.454 -17.167 1.00 44.25 H new ATOM 0 HG2 PRO A 89 -4.583 -10.859 -14.995 1.00 30.13 H new ATOM 0 HG3 PRO A 89 -3.593 -12.305 -15.020 1.00 30.13 H new ATOM 0 HD2 PRO A 89 -2.969 -9.620 -13.727 1.00 71.40 H new ATOM 0 HD3 PRO A 89 -2.789 -11.224 -13.043 1.00 71.40 H new ATOM 1463 N ARG A 90 -0.547 -8.372 -15.774 1.00 41.11 N ATOM 1464 CA ARG A 90 0.226 -7.155 -16.103 1.00 33.50 C ATOM 1465 C ARG A 90 1.306 -6.936 -15.014 1.00 32.44 C ATOM 1466 O ARG A 90 0.986 -6.573 -13.872 1.00 43.02 O ATOM 1467 CB ARG A 90 -0.719 -5.927 -16.217 1.00 2.34 C ATOM 1468 CG ARG A 90 -0.016 -4.595 -16.571 1.00 1.42 C ATOM 1469 CD ARG A 90 -1.007 -3.436 -16.777 1.00 41.15 C ATOM 1470 NE ARG A 90 -0.322 -2.171 -17.109 1.00 2.01 N ATOM 1471 CZ ARG A 90 -0.543 -1.435 -18.182 1.00 34.15 C ATOM 1472 NH1 ARG A 90 -1.392 -1.801 -19.088 1.00 44.52 N ATOM 1473 NH2 ARG A 90 0.099 -0.325 -18.340 1.00 1.02 N ATOM 0 H ARG A 90 -0.925 -8.366 -14.827 1.00 41.11 H new ATOM 0 HA ARG A 90 0.717 -7.278 -17.068 1.00 33.50 H new ATOM 0 HB2 ARG A 90 -1.473 -6.136 -16.976 1.00 2.34 H new ATOM 0 HB3 ARG A 90 -1.245 -5.803 -15.271 1.00 2.34 H new ATOM 0 HG2 ARG A 90 0.681 -4.334 -15.775 1.00 1.42 H new ATOM 0 HG3 ARG A 90 0.573 -4.730 -17.478 1.00 1.42 H new ATOM 0 HD2 ARG A 90 -1.702 -3.692 -17.577 1.00 41.15 H new ATOM 0 HD3 ARG A 90 -1.599 -3.300 -15.872 1.00 41.15 H new ATOM 0 HE ARG A 90 0.383 -1.837 -16.452 1.00 2.01 H new ATOM 0 HH11 ARG A 90 -1.907 -2.675 -18.981 1.00 44.52 H new ATOM 0 HH12 ARG A 90 -1.546 -1.215 -19.909 1.00 44.52 H new ATOM 0 HH21 ARG A 90 0.773 -0.021 -17.637 1.00 1.02 H new ATOM 0 HH22 ARG A 90 -0.068 0.247 -19.167 1.00 1.02 H new ATOM 1487 N GLY A 91 2.578 -7.203 -15.369 1.00 4.54 N ATOM 1488 CA GLY A 91 3.698 -7.076 -14.425 1.00 21.21 C ATOM 1489 C GLY A 91 5.062 -7.070 -15.116 1.00 15.33 C ATOM 1490 O GLY A 91 5.876 -7.979 -14.921 1.00 52.11 O ATOM 0 H GLY A 91 2.852 -7.508 -16.303 1.00 4.54 H new ATOM 0 HA2 GLY A 91 3.582 -6.155 -13.854 1.00 21.21 H new ATOM 0 HA3 GLY A 91 3.661 -7.900 -13.713 1.00 21.21 H new ATOM 1494 N SER A 92 5.307 -6.030 -15.937 1.00 42.33 N ATOM 1495 CA SER A 92 6.599 -5.833 -16.651 1.00 25.43 C ATOM 1496 C SER A 92 7.101 -4.382 -16.461 1.00 25.35 C ATOM 1497 O SER A 92 6.485 -3.439 -16.979 1.00 41.55 O ATOM 1498 CB SER A 92 6.439 -6.152 -18.164 1.00 54.11 C ATOM 1499 OG SER A 92 7.660 -5.966 -18.868 1.00 50.40 O ATOM 0 H SER A 92 4.621 -5.300 -16.128 1.00 42.33 H new ATOM 0 HA SER A 92 7.335 -6.517 -16.228 1.00 25.43 H new ATOM 0 HB2 SER A 92 6.101 -7.181 -18.286 1.00 54.11 H new ATOM 0 HB3 SER A 92 5.669 -5.510 -18.593 1.00 54.11 H new ATOM 0 HG SER A 92 7.526 -6.176 -19.816 1.00 50.40 H new ATOM 1505 N TYR A 93 8.202 -4.218 -15.690 1.00 3.14 N ATOM 1506 CA TYR A 93 8.829 -2.893 -15.437 1.00 41.22 C ATOM 1507 C TYR A 93 10.250 -3.098 -14.831 1.00 52.53 C ATOM 1508 O TYR A 93 10.400 -3.264 -13.613 1.00 32.33 O ATOM 1509 CB TYR A 93 7.921 -2.023 -14.495 1.00 11.34 C ATOM 1510 CG TYR A 93 7.903 -0.515 -14.825 1.00 51.41 C ATOM 1511 CD1 TYR A 93 7.012 -0.004 -15.781 1.00 61.12 C ATOM 1512 CD2 TYR A 93 8.758 0.392 -14.188 1.00 23.43 C ATOM 1513 CE1 TYR A 93 6.980 1.344 -16.084 1.00 21.21 C ATOM 1514 CE2 TYR A 93 8.723 1.742 -14.489 1.00 15.23 C ATOM 1515 CZ TYR A 93 7.833 2.211 -15.436 1.00 51.24 C ATOM 1516 OH TYR A 93 7.788 3.556 -15.735 1.00 13.32 O ATOM 0 H TYR A 93 8.680 -4.992 -15.228 1.00 3.14 H new ATOM 0 HA TYR A 93 8.930 -2.354 -16.379 1.00 41.22 H new ATOM 0 HB2 TYR A 93 6.901 -2.404 -14.544 1.00 11.34 H new ATOM 0 HB3 TYR A 93 8.260 -2.152 -13.467 1.00 11.34 H new ATOM 0 HD1 TYR A 93 6.338 -0.677 -16.290 1.00 61.12 H new ATOM 0 HD2 TYR A 93 9.458 0.032 -13.448 1.00 23.43 H new ATOM 0 HE1 TYR A 93 6.289 1.717 -16.826 1.00 21.21 H new ATOM 0 HE2 TYR A 93 9.389 2.427 -13.985 1.00 15.23 H new ATOM 0 HH TYR A 93 8.450 4.034 -15.193 1.00 13.32 H new ATOM 1526 N LEU A 94 11.283 -3.132 -15.696 1.00 24.43 N ATOM 1527 CA LEU A 94 12.681 -3.413 -15.282 1.00 74.44 C ATOM 1528 C LEU A 94 13.574 -2.148 -15.399 1.00 72.32 C ATOM 1529 O LEU A 94 14.015 -1.779 -16.496 1.00 74.50 O ATOM 1530 CB LEU A 94 13.266 -4.578 -16.142 1.00 62.21 C ATOM 1531 CG LEU A 94 14.690 -5.094 -15.735 1.00 31.54 C ATOM 1532 CD1 LEU A 94 14.683 -5.719 -14.321 1.00 42.34 C ATOM 1533 CD2 LEU A 94 15.256 -6.088 -16.783 1.00 74.11 C ATOM 0 H LEU A 94 11.178 -2.967 -16.697 1.00 24.43 H new ATOM 0 HA LEU A 94 12.672 -3.712 -14.234 1.00 74.44 H new ATOM 0 HB2 LEU A 94 12.572 -5.418 -16.098 1.00 62.21 H new ATOM 0 HB3 LEU A 94 13.305 -4.250 -17.181 1.00 62.21 H new ATOM 0 HG LEU A 94 15.352 -4.228 -15.710 1.00 31.54 H new ATOM 0 HD11 LEU A 94 15.686 -6.066 -14.072 1.00 42.34 H new ATOM 0 HD12 LEU A 94 14.367 -4.971 -13.594 1.00 42.34 H new ATOM 0 HD13 LEU A 94 13.992 -6.561 -14.299 1.00 42.34 H new ATOM 0 HD21 LEU A 94 16.244 -6.425 -16.469 1.00 74.11 H new ATOM 0 HD22 LEU A 94 14.590 -6.946 -16.867 1.00 74.11 H new ATOM 0 HD23 LEU A 94 15.333 -5.592 -17.751 1.00 74.11 H new ATOM 1545 N GLU A 95 13.813 -1.476 -14.255 1.00 65.10 N ATOM 1546 CA GLU A 95 14.787 -0.358 -14.152 1.00 63.02 C ATOM 1547 C GLU A 95 15.725 -0.597 -12.943 1.00 42.43 C ATOM 1548 O GLU A 95 15.308 -0.433 -11.789 1.00 35.44 O ATOM 1549 CB GLU A 95 14.069 1.019 -14.019 1.00 34.40 C ATOM 1550 CG GLU A 95 15.044 2.218 -13.906 1.00 20.31 C ATOM 1551 CD GLU A 95 14.354 3.576 -13.695 1.00 71.21 C ATOM 1552 OE1 GLU A 95 13.910 3.858 -12.559 1.00 41.40 O ATOM 1553 OE2 GLU A 95 14.276 4.377 -14.657 1.00 32.54 O ATOM 0 H GLU A 95 13.341 -1.688 -13.376 1.00 65.10 H new ATOM 0 HA GLU A 95 15.375 -0.331 -15.070 1.00 63.02 H new ATOM 0 HB2 GLU A 95 13.422 1.167 -14.884 1.00 34.40 H new ATOM 0 HB3 GLU A 95 13.425 1.000 -13.139 1.00 34.40 H new ATOM 0 HG2 GLU A 95 15.728 2.038 -13.077 1.00 20.31 H new ATOM 0 HG3 GLU A 95 15.648 2.267 -14.812 1.00 20.31 H new ATOM 1560 N HIS A 96 16.980 -1.036 -13.234 1.00 2.32 N ATOM 1561 CA HIS A 96 18.043 -1.291 -12.214 1.00 24.41 C ATOM 1562 C HIS A 96 17.611 -2.347 -11.146 1.00 34.33 C ATOM 1563 O HIS A 96 18.201 -2.436 -10.060 1.00 51.14 O ATOM 1564 CB HIS A 96 18.499 0.048 -11.546 1.00 41.53 C ATOM 1565 CG HIS A 96 19.137 1.042 -12.501 1.00 72.14 C ATOM 1566 ND1 HIS A 96 20.390 1.585 -12.308 1.00 22.23 N ATOM 1567 CD2 HIS A 96 18.674 1.602 -13.647 1.00 35.22 C ATOM 1568 CE1 HIS A 96 20.661 2.427 -13.285 1.00 63.25 C ATOM 1569 NE2 HIS A 96 19.641 2.455 -14.106 1.00 63.43 N ATOM 0 H HIS A 96 17.287 -1.225 -14.188 1.00 2.32 H new ATOM 0 HA HIS A 96 18.896 -1.721 -12.739 1.00 24.41 H new ATOM 0 HB2 HIS A 96 17.635 0.518 -11.076 1.00 41.53 H new ATOM 0 HB3 HIS A 96 19.209 -0.180 -10.751 1.00 41.53 H new ATOM 0 HD2 HIS A 96 17.718 1.410 -14.112 1.00 35.22 H new ATOM 0 HE1 HIS A 96 21.572 2.998 -13.391 1.00 63.25 H new ATOM 0 HE2 HIS A 96 19.577 3.022 -14.952 1.00 63.43 H new ATOM 1578 N HIS A 97 16.616 -3.185 -11.513 1.00 32.30 N ATOM 1579 CA HIS A 97 15.987 -4.181 -10.610 1.00 2.41 C ATOM 1580 C HIS A 97 16.500 -5.617 -10.943 1.00 25.21 C ATOM 1581 O HIS A 97 15.782 -6.606 -10.794 1.00 22.11 O ATOM 1582 CB HIS A 97 14.432 -4.057 -10.739 1.00 4.00 C ATOM 1583 CG HIS A 97 13.625 -4.862 -9.733 1.00 53.54 C ATOM 1584 ND1 HIS A 97 13.219 -6.159 -9.968 1.00 23.20 N ATOM 1585 CD2 HIS A 97 13.177 -4.563 -8.484 1.00 11.34 C ATOM 1586 CE1 HIS A 97 12.556 -6.611 -8.932 1.00 44.23 C ATOM 1587 NE2 HIS A 97 12.515 -5.671 -8.012 1.00 20.42 N ATOM 0 H HIS A 97 16.221 -3.191 -12.454 1.00 32.30 H new ATOM 0 HA HIS A 97 16.263 -3.986 -9.574 1.00 2.41 H new ATOM 0 HB2 HIS A 97 14.159 -3.006 -10.640 1.00 4.00 H new ATOM 0 HB3 HIS A 97 14.142 -4.368 -11.743 1.00 4.00 H new ATOM 0 HD1 HIS A 97 13.407 -6.687 -10.820 1.00 23.20 H new ATOM 0 HD2 HIS A 97 13.316 -3.629 -7.961 1.00 11.34 H new ATOM 0 HE1 HIS A 97 12.116 -7.593 -8.847 1.00 44.23 H new ATOM 1596 N HIS A 98 17.768 -5.723 -11.384 1.00 44.03 N ATOM 1597 CA HIS A 98 18.446 -7.028 -11.588 1.00 51.21 C ATOM 1598 C HIS A 98 18.530 -7.813 -10.245 1.00 55.01 C ATOM 1599 O HIS A 98 18.316 -9.029 -10.203 1.00 13.43 O ATOM 1600 CB HIS A 98 19.853 -6.793 -12.202 1.00 15.22 C ATOM 1601 CG HIS A 98 20.655 -8.039 -12.484 1.00 2.21 C ATOM 1602 ND1 HIS A 98 21.915 -8.260 -11.967 1.00 75.31 N ATOM 1603 CD2 HIS A 98 20.376 -9.124 -13.242 1.00 51.40 C ATOM 1604 CE1 HIS A 98 22.370 -9.415 -12.392 1.00 11.23 C ATOM 1605 NE2 HIS A 98 21.457 -9.962 -13.164 1.00 32.04 N ATOM 0 H HIS A 98 18.351 -4.917 -11.609 1.00 44.03 H new ATOM 0 HA HIS A 98 17.866 -7.634 -12.284 1.00 51.21 H new ATOM 0 HB2 HIS A 98 19.736 -6.239 -13.133 1.00 15.22 H new ATOM 0 HB3 HIS A 98 20.425 -6.160 -11.524 1.00 15.22 H new ATOM 0 HD2 HIS A 98 19.470 -9.297 -13.804 1.00 51.40 H new ATOM 0 HE1 HIS A 98 23.331 -9.844 -12.149 1.00 11.23 H new ATOM 0 HE2 HIS A 98 21.540 -10.865 -13.630 1.00 32.04 H new ATOM 1614 N HIS A 99 18.833 -7.073 -9.156 1.00 54.22 N ATOM 1615 CA HIS A 99 18.763 -7.573 -7.756 1.00 5.21 C ATOM 1616 C HIS A 99 18.864 -6.402 -6.747 1.00 35.21 C ATOM 1617 O HIS A 99 19.224 -5.285 -7.120 1.00 54.51 O ATOM 1618 CB HIS A 99 19.866 -8.636 -7.468 1.00 32.41 C ATOM 1619 CG HIS A 99 21.281 -8.192 -7.748 1.00 41.22 C ATOM 1620 ND1 HIS A 99 21.933 -7.223 -7.018 1.00 54.14 N ATOM 1621 CD2 HIS A 99 22.173 -8.607 -8.679 1.00 11.23 C ATOM 1622 CE1 HIS A 99 23.152 -7.068 -7.481 1.00 10.15 C ATOM 1623 NE2 HIS A 99 23.326 -7.895 -8.486 1.00 51.43 N ATOM 0 H HIS A 99 19.137 -6.101 -9.220 1.00 54.22 H new ATOM 0 HA HIS A 99 17.794 -8.057 -7.632 1.00 5.21 H new ATOM 0 HB2 HIS A 99 19.797 -8.933 -6.421 1.00 32.41 H new ATOM 0 HB3 HIS A 99 19.657 -9.523 -8.065 1.00 32.41 H new ATOM 0 HD2 HIS A 99 22.005 -9.361 -9.434 1.00 11.23 H new ATOM 0 HE1 HIS A 99 23.888 -6.376 -7.099 1.00 10.15 H new ATOM 0 HE2 HIS A 99 24.181 -7.991 -9.034 1.00 51.43 H new ATOM 1632 N HIS A 100 18.550 -6.672 -5.464 1.00 71.13 N ATOM 1633 CA HIS A 100 18.740 -5.695 -4.354 1.00 4.24 C ATOM 1634 C HIS A 100 19.597 -6.332 -3.232 1.00 30.22 C ATOM 1635 O HIS A 100 19.415 -7.512 -2.908 1.00 5.05 O ATOM 1636 CB HIS A 100 17.373 -5.189 -3.806 1.00 41.22 C ATOM 1637 CG HIS A 100 16.476 -6.257 -3.229 1.00 43.41 C ATOM 1638 ND1 HIS A 100 16.552 -6.674 -1.919 1.00 13.33 N ATOM 1639 CD2 HIS A 100 15.489 -6.999 -3.790 1.00 60.53 C ATOM 1640 CE1 HIS A 100 15.664 -7.612 -1.699 1.00 34.00 C ATOM 1641 NE2 HIS A 100 15.003 -7.833 -2.816 1.00 4.43 N ATOM 0 H HIS A 100 18.160 -7.565 -5.161 1.00 71.13 H new ATOM 0 HA HIS A 100 19.270 -4.826 -4.743 1.00 4.24 H new ATOM 0 HB2 HIS A 100 17.563 -4.442 -3.036 1.00 41.22 H new ATOM 0 HB3 HIS A 100 16.840 -4.687 -4.613 1.00 41.22 H new ATOM 0 HD1 HIS A 100 17.202 -6.308 -1.224 1.00 13.33 H new ATOM 0 HD2 HIS A 100 15.149 -6.943 -4.814 1.00 60.53 H new ATOM 0 HE1 HIS A 100 15.502 -8.119 -0.759 1.00 34.00 H new ATOM 1650 N HIS A 101 20.535 -5.550 -2.658 1.00 3.30 N ATOM 1651 CA HIS A 101 21.488 -6.039 -1.627 1.00 41.45 C ATOM 1652 C HIS A 101 21.875 -4.885 -0.646 1.00 41.43 C ATOM 1653 O HIS A 101 21.374 -4.867 0.500 1.00 37.11 O ATOM 1654 CB HIS A 101 22.746 -6.644 -2.324 1.00 73.35 C ATOM 1655 CG HIS A 101 23.708 -7.338 -1.388 1.00 11.11 C ATOM 1656 ND1 HIS A 101 23.620 -8.677 -1.083 1.00 12.22 N ATOM 1657 CD2 HIS A 101 24.795 -6.881 -0.711 1.00 75.31 C ATOM 1658 CE1 HIS A 101 24.591 -9.010 -0.267 1.00 23.43 C ATOM 1659 NE2 HIS A 101 25.317 -7.944 -0.021 1.00 12.03 N ATOM 1660 OXT HIS A 101 22.660 -3.990 -1.042 1.00 37.11 O ATOM 0 H HIS A 101 20.657 -4.565 -2.892 1.00 3.30 H new ATOM 0 HA HIS A 101 21.012 -6.822 -1.036 1.00 41.45 H new ATOM 0 HB2 HIS A 101 22.419 -7.356 -3.082 1.00 73.35 H new ATOM 0 HB3 HIS A 101 23.276 -5.846 -2.844 1.00 73.35 H new ATOM 0 HD2 HIS A 101 25.176 -5.870 -0.716 1.00 75.31 H new ATOM 0 HE1 HIS A 101 24.765 -9.997 0.136 1.00 23.43 H new ATOM 0 HE2 HIS A 101 26.137 -7.912 0.585 1.00 12.03 H new TER 1669 HIS A 101