USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 962 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 103 SER OG : rot -130:sc= -0.202 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 174:sc= -0.197 (180deg=-0.00518) USER MOD Set 2.1: A 106 THR OG1 : rot -27:sc= 1 USER MOD Set 2.2: A 111 LYS NZ :NH3+ -160:sc= 0.927 (180deg=0) USER MOD Set 3.1: A 72 THR OG1 : rot -140:sc= -0.959 USER MOD Set 3.2: A 105 ASN : amide:sc= -0.827 K(o=-1.8,f=-7.6!) USER MOD Set 4.1: A 65 SER OG : rot 9:sc= 0.718 USER MOD Set 4.2: A 102 TYR OH : rot -179:sc= 1.46 USER MOD Set 5.1: A 37 GLN : amide:sc=-0.00299 K(o=-0.017,f=1.3) USER MOD Set 5.2: A 87 SER OG : rot -110:sc= -0.0143 USER MOD Set 6.1: A 57 THR OG1 : rot 180:sc= 0.506 USER MOD Set 6.2: A 84 THR OG1 : rot -84:sc= 0.555 USER MOD Set 7.1: A 17 TYR OH : rot 149:sc= 1.29 USER MOD Set 7.2: A 29 HIS : no HD1:sc= -0.666! K(o=0.62!,f=-1.8) USER MOD Set 8.1: A 13 GLN : amide:sc= -4.52! C(o=-5.2!,f=-10!) USER MOD Set 8.2: A 95 ASN : amide:sc= -0.709 K(o=-5.2,f=-10!) USER MOD Single : A 1 MET CE :methyl -143:sc= 0 (180deg=-0.595) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0249 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.755 K(o=0.75,f=-3.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.000404 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.487 K(o=-0.49,f=-1) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.0348 USER MOD Single : A 26 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0.017) USER MOD Single : A 32 SER OG : rot 30:sc= 0.00866 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 44 THR OG1 : rot -48:sc= 0.0194 USER MOD Single : A 45 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -36:sc= 0.222 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -1.69! (180deg=-2.83!) USER MOD Single : A 55 SER OG : rot 41:sc= 0.0984 USER MOD Single : A 58 GLN : amide:sc= -0.785 K(o=-0.79,f=-0.0042) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.43 (180deg=0.423) USER MOD Single : A 77 MET CE :methyl -159:sc= -0.144 (180deg=-0.693) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 89 ASN : amide:sc= -0.0482 K(o=-0.048,f=-7.4!) USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 0.6 (180deg=-0.219) USER MOD Single : A 94 GLN : amide:sc= -0.735 K(o=-0.74,f=-4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -26:sc= 0.345 USER MOD Single : A 109 GLN : amide:sc= -0.635 K(o=-0.64,f=-1.6!) USER MOD Single : A 110 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.17) USER MOD Single : A 117 HIS : no HD1:sc= 0.0113 K(o=0.011,f=-1) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 119 HIS : no HE2:sc= 0.00161 X(o=0.0016,f=-0.041) USER MOD Single : A 120 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.827 -29.441 0.624 1.00 0.00 N ATOM 2 CA MET A 1 19.359 -29.265 0.730 1.00 0.00 C ATOM 3 C MET A 1 19.013 -27.777 0.909 1.00 0.00 C ATOM 4 O MET A 1 19.769 -27.020 1.528 1.00 0.00 O ATOM 5 CB MET A 1 18.795 -30.112 1.906 1.00 0.00 C ATOM 6 CG MET A 1 17.263 -30.067 2.062 1.00 0.00 C ATOM 7 SD MET A 1 16.400 -30.612 0.574 1.00 0.00 S ATOM 8 CE MET A 1 14.690 -30.326 1.029 1.00 0.00 C ATOM 0 H1 MET A 1 21.141 -30.160 1.307 1.00 0.00 H new ATOM 0 H2 MET A 1 21.071 -29.749 -0.339 1.00 0.00 H new ATOM 0 H3 MET A 1 21.301 -28.538 0.829 1.00 0.00 H new ATOM 0 HA MET A 1 18.895 -29.615 -0.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.101 -31.149 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.250 -29.767 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.968 -30.698 2.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.956 -29.050 2.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.067 -31.120 0.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.599 -30.318 2.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.363 -29.366 0.630 1.00 0.00 H new ATOM 20 N ILE A 2 17.873 -27.376 0.338 1.00 0.00 N ATOM 21 CA ILE A 2 17.316 -26.013 0.434 1.00 0.00 C ATOM 22 C ILE A 2 16.008 -26.058 1.257 1.00 0.00 C ATOM 23 O ILE A 2 15.388 -27.118 1.368 1.00 0.00 O ATOM 24 CB ILE A 2 17.031 -25.453 -1.022 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.339 -25.398 -1.880 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.353 -24.071 -0.992 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.403 -24.429 -1.384 1.00 0.00 C ATOM 0 H ILE A 2 17.293 -28.003 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 2 18.029 -25.354 0.930 1.00 0.00 H new ATOM 0 HB ILE A 2 16.338 -26.151 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.771 -26.398 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.072 -25.127 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.178 -23.729 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.401 -24.144 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.999 -23.360 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.267 -24.467 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.998 -23.417 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.707 -24.708 -0.375 1.00 0.00 H new ATOM 39 N GLU A 3 15.602 -24.920 1.852 1.00 0.00 N ATOM 40 CA GLU A 3 14.243 -24.745 2.409 1.00 0.00 C ATOM 41 C GLU A 3 13.587 -23.496 1.769 1.00 0.00 C ATOM 42 O GLU A 3 14.301 -22.538 1.416 1.00 0.00 O ATOM 43 CB GLU A 3 14.252 -24.619 3.960 1.00 0.00 C ATOM 44 CG GLU A 3 14.965 -23.370 4.510 1.00 0.00 C ATOM 45 CD GLU A 3 14.632 -23.084 5.980 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.601 -22.431 6.249 1.00 0.00 O ATOM 47 OE2 GLU A 3 15.395 -23.508 6.877 1.00 0.00 O ATOM 0 H GLU A 3 16.200 -24.101 1.961 1.00 0.00 H new ATOM 0 HA GLU A 3 13.662 -25.636 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.221 -24.616 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.730 -25.505 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.042 -23.499 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.688 -22.506 3.906 1.00 0.00 H new ATOM 54 N PRO A 4 12.232 -23.495 1.564 1.00 0.00 N ATOM 55 CA PRO A 4 11.512 -22.298 1.071 1.00 0.00 C ATOM 56 C PRO A 4 11.432 -21.199 2.151 1.00 0.00 C ATOM 57 O PRO A 4 10.994 -21.462 3.271 1.00 0.00 O ATOM 58 CB PRO A 4 10.096 -22.845 0.706 1.00 0.00 C ATOM 59 CG PRO A 4 10.237 -24.344 0.699 1.00 0.00 C ATOM 60 CD PRO A 4 11.303 -24.646 1.725 1.00 0.00 C ATOM 0 HA PRO A 4 12.012 -21.826 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.351 -22.524 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.771 -22.476 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.295 -24.829 0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.525 -24.708 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.893 -24.700 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.797 -25.598 1.530 1.00 0.00 H new ATOM 68 N ILE A 5 11.876 -19.980 1.809 1.00 0.00 N ATOM 69 CA ILE A 5 11.781 -18.791 2.697 1.00 0.00 C ATOM 70 C ILE A 5 11.100 -17.635 1.948 1.00 0.00 C ATOM 71 O ILE A 5 10.936 -17.699 0.720 1.00 0.00 O ATOM 72 CB ILE A 5 13.201 -18.339 3.223 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.188 -18.115 2.038 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.773 -19.358 4.234 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.567 -17.603 2.412 1.00 0.00 C ATOM 0 H ILE A 5 12.313 -19.781 0.909 1.00 0.00 H new ATOM 0 HA ILE A 5 11.182 -19.067 3.565 1.00 0.00 H new ATOM 0 HB ILE A 5 13.077 -17.389 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.304 -19.058 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.736 -17.408 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.750 -19.020 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.098 -19.444 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.874 -20.331 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.168 -17.484 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.474 -16.641 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.051 -18.316 3.079 1.00 0.00 H new ATOM 87 N LYS A 6 10.702 -16.578 2.684 1.00 0.00 N ATOM 88 CA LYS A 6 10.065 -15.391 2.084 1.00 0.00 C ATOM 89 C LYS A 6 10.198 -14.154 2.994 1.00 0.00 C ATOM 90 O LYS A 6 10.101 -14.242 4.226 1.00 0.00 O ATOM 91 CB LYS A 6 8.562 -15.628 1.727 1.00 0.00 C ATOM 92 CG LYS A 6 7.572 -15.647 2.919 1.00 0.00 C ATOM 93 CD LYS A 6 7.693 -16.908 3.810 1.00 0.00 C ATOM 94 CE LYS A 6 7.155 -18.184 3.136 1.00 0.00 C ATOM 95 NZ LYS A 6 7.080 -19.330 4.085 1.00 0.00 N ATOM 0 H LYS A 6 10.811 -16.523 3.697 1.00 0.00 H new ATOM 0 HA LYS A 6 10.602 -15.205 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.248 -14.849 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.481 -16.578 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.740 -14.762 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.554 -15.581 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.740 -17.059 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.150 -16.740 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.164 -17.987 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.799 -18.450 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.713 -20.168 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.029 -19.536 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.445 -19.088 4.872 1.00 0.00 H new ATOM 109 N ARG A 7 10.480 -13.015 2.360 1.00 0.00 N ATOM 110 CA ARG A 7 10.303 -11.688 2.945 1.00 0.00 C ATOM 111 C ARG A 7 8.864 -11.262 2.662 1.00 0.00 C ATOM 112 O ARG A 7 8.393 -11.430 1.536 1.00 0.00 O ATOM 113 CB ARG A 7 11.298 -10.673 2.305 1.00 0.00 C ATOM 114 CG ARG A 7 12.800 -10.905 2.594 1.00 0.00 C ATOM 115 CD ARG A 7 13.247 -10.455 3.996 1.00 0.00 C ATOM 116 NE ARG A 7 12.675 -11.261 5.099 1.00 0.00 N ATOM 117 CZ ARG A 7 13.349 -11.687 6.177 1.00 0.00 C ATOM 118 NH1 ARG A 7 14.642 -11.406 6.324 1.00 0.00 N ATOM 119 NH2 ARG A 7 12.719 -12.379 7.110 1.00 0.00 N ATOM 0 H ARG A 7 10.845 -12.990 1.408 1.00 0.00 H new ATOM 0 HA ARG A 7 10.500 -11.711 4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.152 -10.687 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.034 -9.673 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.022 -11.966 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.389 -10.372 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.335 -10.502 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.965 -9.412 4.138 1.00 0.00 H new ATOM 0 HE ARG A 7 11.689 -11.512 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.130 -10.862 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.145 -11.735 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.726 -12.586 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.226 -12.706 7.932 1.00 0.00 H new ATOM 133 N THR A 8 8.155 -10.737 3.663 1.00 0.00 N ATOM 134 CA THR A 8 6.770 -10.293 3.488 1.00 0.00 C ATOM 135 C THR A 8 6.650 -8.828 3.939 1.00 0.00 C ATOM 136 O THR A 8 6.703 -8.520 5.137 1.00 0.00 O ATOM 137 CB THR A 8 5.779 -11.212 4.284 1.00 0.00 C ATOM 138 OG1 THR A 8 5.964 -12.579 3.873 1.00 0.00 O ATOM 139 CG2 THR A 8 4.308 -10.817 4.063 1.00 0.00 C ATOM 0 H THR A 8 8.519 -10.608 4.607 1.00 0.00 H new ATOM 0 HA THR A 8 6.500 -10.366 2.434 1.00 0.00 H new ATOM 0 HB THR A 8 6.000 -11.091 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.347 -13.156 4.370 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.662 -11.483 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.154 -9.790 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.065 -10.898 3.004 1.00 0.00 H new ATOM 147 N GLN A 9 6.554 -7.933 2.952 1.00 0.00 N ATOM 148 CA GLN A 9 6.271 -6.518 3.165 1.00 0.00 C ATOM 149 C GLN A 9 4.772 -6.278 3.005 1.00 0.00 C ATOM 150 O GLN A 9 4.108 -6.959 2.223 1.00 0.00 O ATOM 151 CB GLN A 9 7.062 -5.638 2.154 1.00 0.00 C ATOM 152 CG GLN A 9 6.865 -4.112 2.323 1.00 0.00 C ATOM 153 CD GLN A 9 7.301 -3.605 3.707 1.00 0.00 C ATOM 154 OE1 GLN A 9 6.514 -3.587 4.655 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.545 -3.199 3.839 1.00 0.00 N ATOM 0 H GLN A 9 6.673 -8.179 1.969 1.00 0.00 H new ATOM 0 HA GLN A 9 6.584 -6.241 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.124 -5.865 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.767 -5.918 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.434 -3.589 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.815 -3.866 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.177 -3.224 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.878 -2.859 4.741 1.00 0.00 H new ATOM 164 N VAL A 10 4.242 -5.328 3.772 1.00 0.00 N ATOM 165 CA VAL A 10 2.880 -4.830 3.600 1.00 0.00 C ATOM 166 C VAL A 10 2.943 -3.305 3.469 1.00 0.00 C ATOM 167 O VAL A 10 3.646 -2.638 4.247 1.00 0.00 O ATOM 168 CB VAL A 10 1.931 -5.262 4.784 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.795 -6.803 4.849 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.407 -4.696 6.145 1.00 0.00 C ATOM 0 H VAL A 10 4.749 -4.879 4.535 1.00 0.00 H new ATOM 0 HA VAL A 10 2.451 -5.268 2.699 1.00 0.00 H new ATOM 0 HB VAL A 10 0.949 -4.836 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.136 -7.076 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.376 -7.171 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.777 -7.249 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.725 -5.018 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.410 -5.064 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.422 -3.607 6.101 1.00 0.00 H new ATOM 180 N VAL A 11 2.262 -2.742 2.464 1.00 0.00 N ATOM 181 CA VAL A 11 2.158 -1.291 2.328 1.00 0.00 C ATOM 182 C VAL A 11 0.895 -0.852 3.064 1.00 0.00 C ATOM 183 O VAL A 11 -0.222 -1.023 2.560 1.00 0.00 O ATOM 184 CB VAL A 11 2.125 -0.842 0.821 1.00 0.00 C ATOM 185 CG1 VAL A 11 1.969 0.686 0.691 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.390 -1.321 0.073 1.00 0.00 C ATOM 0 H VAL A 11 1.778 -3.270 1.738 1.00 0.00 H new ATOM 0 HA VAL A 11 3.038 -0.816 2.761 1.00 0.00 H new ATOM 0 HB VAL A 11 1.254 -1.309 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.950 0.961 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.038 0.998 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.808 1.180 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.342 -0.998 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.275 -0.895 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.446 -2.409 0.112 1.00 0.00 H new ATOM 196 N THR A 12 1.095 -0.305 4.264 1.00 0.00 N ATOM 197 CA THR A 12 0.023 0.051 5.181 1.00 0.00 C ATOM 198 C THR A 12 -0.214 1.566 5.115 1.00 0.00 C ATOM 199 O THR A 12 0.588 2.359 5.627 1.00 0.00 O ATOM 200 CB THR A 12 0.392 -0.409 6.628 1.00 0.00 C ATOM 201 OG1 THR A 12 0.676 -1.820 6.623 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.719 -0.128 7.641 1.00 0.00 C ATOM 0 H THR A 12 2.025 -0.095 4.628 1.00 0.00 H new ATOM 0 HA THR A 12 -0.900 -0.454 4.896 1.00 0.00 H new ATOM 0 HB THR A 12 1.267 0.165 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.909 -2.110 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.406 -0.469 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.919 0.943 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.624 -0.658 7.344 1.00 0.00 H new ATOM 210 N GLN A 13 -1.300 1.952 4.441 1.00 0.00 N ATOM 211 CA GLN A 13 -1.676 3.354 4.234 1.00 0.00 C ATOM 212 C GLN A 13 -2.975 3.668 4.999 1.00 0.00 C ATOM 213 O GLN A 13 -3.985 2.984 4.820 1.00 0.00 O ATOM 214 CB GLN A 13 -1.831 3.615 2.718 1.00 0.00 C ATOM 215 CG GLN A 13 -2.251 5.051 2.351 1.00 0.00 C ATOM 216 CD GLN A 13 -2.331 5.292 0.845 1.00 0.00 C ATOM 217 OE1 GLN A 13 -1.579 4.727 0.065 1.00 0.00 O ATOM 218 NE2 GLN A 13 -3.260 6.105 0.421 1.00 0.00 N ATOM 0 H GLN A 13 -1.952 1.291 4.018 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.899 4.013 4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.884 3.391 2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.570 2.921 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.222 5.263 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.540 5.753 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.877 6.567 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.369 6.279 -0.578 1.00 0.00 H new ATOM 227 N THR A 14 -2.934 4.700 5.854 1.00 0.00 N ATOM 228 CA THR A 14 -4.070 5.103 6.692 1.00 0.00 C ATOM 229 C THR A 14 -4.796 6.293 6.043 1.00 0.00 C ATOM 230 O THR A 14 -4.269 7.402 6.017 1.00 0.00 O ATOM 231 CB THR A 14 -3.572 5.481 8.123 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.867 4.362 8.694 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.732 5.897 9.053 1.00 0.00 C ATOM 0 H THR A 14 -2.106 5.281 5.983 1.00 0.00 H new ATOM 0 HA THR A 14 -4.767 4.270 6.778 1.00 0.00 H new ATOM 0 HB THR A 14 -2.907 6.339 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.552 4.597 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.337 6.151 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.243 6.763 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.437 5.071 9.147 1.00 0.00 H new ATOM 241 N ILE A 15 -5.995 6.036 5.506 1.00 0.00 N ATOM 242 CA ILE A 15 -6.808 7.048 4.827 1.00 0.00 C ATOM 243 C ILE A 15 -7.600 7.835 5.869 1.00 0.00 C ATOM 244 O ILE A 15 -8.419 7.267 6.606 1.00 0.00 O ATOM 245 CB ILE A 15 -7.789 6.429 3.747 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.000 5.864 2.522 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.828 7.480 3.260 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.061 4.699 2.792 1.00 0.00 C ATOM 0 H ILE A 15 -6.430 5.114 5.531 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.129 7.707 4.286 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.320 5.609 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.722 5.551 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.418 6.677 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.486 7.025 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.419 7.827 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.307 8.326 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.575 4.401 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.305 5.002 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.629 3.858 3.190 1.00 0.00 H new ATOM 260 N HIS A 16 -7.303 9.130 5.933 1.00 0.00 N ATOM 261 CA HIS A 16 -8.032 10.094 6.742 1.00 0.00 C ATOM 262 C HIS A 16 -9.069 10.773 5.852 1.00 0.00 C ATOM 263 O HIS A 16 -8.715 11.540 4.947 1.00 0.00 O ATOM 264 CB HIS A 16 -7.062 11.152 7.331 1.00 0.00 C ATOM 265 CG HIS A 16 -6.081 10.607 8.342 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.992 11.080 9.631 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.134 9.647 8.240 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.039 10.439 10.272 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.501 9.563 9.453 1.00 0.00 N ATOM 0 H HIS A 16 -6.531 9.545 5.411 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.521 9.586 7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.505 11.611 6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.648 11.942 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.916 9.055 7.363 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.748 10.605 11.299 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.738 8.926 9.682 1.00 0.00 H new ATOM 278 N TYR A 17 -10.332 10.450 6.079 1.00 0.00 N ATOM 279 CA TYR A 17 -11.447 11.140 5.457 1.00 0.00 C ATOM 280 C TYR A 17 -11.683 12.434 6.228 1.00 0.00 C ATOM 281 O TYR A 17 -11.937 12.392 7.436 1.00 0.00 O ATOM 282 CB TYR A 17 -12.718 10.267 5.500 1.00 0.00 C ATOM 283 CG TYR A 17 -12.630 8.937 4.742 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.788 8.892 3.361 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.415 7.732 5.403 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.732 7.709 2.666 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.368 6.545 4.707 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.526 6.538 3.344 1.00 0.00 C ATOM 289 OH TYR A 17 -12.496 5.349 2.669 1.00 0.00 O ATOM 0 H TYR A 17 -10.613 9.695 6.705 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.218 11.349 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.958 10.056 6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.548 10.844 5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.959 9.812 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.283 7.728 6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.850 7.703 1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.206 5.617 5.235 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.890 4.729 3.126 1.00 0.00 H new ATOM 299 N ARG A 18 -11.533 13.574 5.555 1.00 0.00 N ATOM 300 CA ARG A 18 -11.844 14.890 6.131 1.00 0.00 C ATOM 301 C ARG A 18 -12.573 15.740 5.110 1.00 0.00 C ATOM 302 O ARG A 18 -12.583 15.427 3.929 1.00 0.00 O ATOM 303 CB ARG A 18 -10.577 15.646 6.613 1.00 0.00 C ATOM 304 CG ARG A 18 -9.789 14.964 7.749 1.00 0.00 C ATOM 305 CD ARG A 18 -8.953 15.969 8.548 1.00 0.00 C ATOM 306 NE ARG A 18 -8.064 16.777 7.689 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.626 18.019 7.969 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.998 18.640 9.094 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.849 18.654 7.103 1.00 0.00 N ATOM 0 H ARG A 18 -11.193 13.616 4.594 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.475 14.714 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.910 15.781 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.873 16.641 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.483 14.456 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.135 14.200 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.619 16.632 9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.353 15.433 9.284 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.756 16.359 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.621 18.173 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.658 19.581 9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.585 18.202 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.515 19.595 7.312 1.00 0.00 H new ATOM 323 N TYR A 19 -13.167 16.825 5.599 1.00 0.00 N ATOM 324 CA TYR A 19 -13.819 17.846 4.782 1.00 0.00 C ATOM 325 C TYR A 19 -12.824 18.973 4.493 1.00 0.00 C ATOM 326 O TYR A 19 -11.705 18.981 5.028 1.00 0.00 O ATOM 327 CB TYR A 19 -15.050 18.401 5.538 1.00 0.00 C ATOM 328 CG TYR A 19 -16.118 17.354 5.865 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.007 16.543 6.993 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.240 17.176 5.052 1.00 0.00 C ATOM 331 CE1 TYR A 19 -16.960 15.598 7.298 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.199 16.232 5.357 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.054 15.447 6.477 1.00 0.00 C ATOM 334 OH TYR A 19 -19.004 14.504 6.780 1.00 0.00 O ATOM 0 H TYR A 19 -13.210 17.024 6.598 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.149 17.411 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.713 18.861 6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.504 19.190 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.153 16.659 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.359 17.788 4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.850 14.979 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.061 16.110 4.718 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.815 14.676 6.257 1.00 0.00 H new ATOM 344 N GLU A 20 -13.252 19.937 3.676 1.00 0.00 N ATOM 345 CA GLU A 20 -12.457 21.141 3.382 1.00 0.00 C ATOM 346 C GLU A 20 -12.450 22.090 4.596 1.00 0.00 C ATOM 347 O GLU A 20 -11.562 22.930 4.721 1.00 0.00 O ATOM 348 CB GLU A 20 -13.009 21.870 2.137 1.00 0.00 C ATOM 349 CG GLU A 20 -14.436 22.431 2.319 1.00 0.00 C ATOM 350 CD GLU A 20 -14.803 23.491 1.282 1.00 0.00 C ATOM 351 OE1 GLU A 20 -14.041 24.465 1.133 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.855 23.374 0.627 1.00 0.00 O ATOM 0 H GLU A 20 -14.154 19.910 3.200 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.433 20.831 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.337 22.689 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.006 21.180 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.152 21.611 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.526 22.861 3.316 1.00 0.00 H new ATOM 359 N ASP A 21 -13.458 21.928 5.478 1.00 0.00 N ATOM 360 CA ASP A 21 -13.538 22.615 6.784 1.00 0.00 C ATOM 361 C ASP A 21 -12.407 22.145 7.723 1.00 0.00 C ATOM 362 O ASP A 21 -12.056 22.841 8.681 1.00 0.00 O ATOM 363 CB ASP A 21 -14.930 22.317 7.412 1.00 0.00 C ATOM 364 CG ASP A 21 -15.152 22.967 8.792 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.446 24.183 8.849 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.031 22.265 9.825 1.00 0.00 O ATOM 0 H ASP A 21 -14.249 21.309 5.301 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.418 23.689 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.706 22.665 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.050 21.238 7.508 1.00 0.00 H new ATOM 371 N GLY A 22 -11.819 20.971 7.408 1.00 0.00 N ATOM 372 CA GLY A 22 -10.831 20.329 8.267 1.00 0.00 C ATOM 373 C GLY A 22 -11.461 19.305 9.200 1.00 0.00 C ATOM 374 O GLY A 22 -10.747 18.531 9.836 1.00 0.00 O ATOM 0 H GLY A 22 -12.022 20.453 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.077 19.840 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.317 21.088 8.857 1.00 0.00 H new ATOM 378 N ALA A 23 -12.810 19.321 9.292 1.00 0.00 N ATOM 379 CA ALA A 23 -13.591 18.367 10.098 1.00 0.00 C ATOM 380 C ALA A 23 -13.295 16.918 9.667 1.00 0.00 C ATOM 381 O ALA A 23 -13.226 16.645 8.476 1.00 0.00 O ATOM 382 CB ALA A 23 -15.089 18.683 9.952 1.00 0.00 C ATOM 0 H ALA A 23 -13.388 20.004 8.803 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.305 18.466 11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.669 17.978 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.282 19.698 10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.379 18.597 8.905 1.00 0.00 H new ATOM 388 N VAL A 24 -13.124 16.003 10.629 1.00 0.00 N ATOM 389 CA VAL A 24 -12.709 14.618 10.340 1.00 0.00 C ATOM 390 C VAL A 24 -13.951 13.733 10.125 1.00 0.00 C ATOM 391 O VAL A 24 -14.734 13.535 11.056 1.00 0.00 O ATOM 392 CB VAL A 24 -11.809 14.035 11.498 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.250 12.642 11.128 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.663 15.010 11.858 1.00 0.00 C ATOM 0 H VAL A 24 -13.267 16.195 11.621 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.112 14.623 9.428 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.441 13.918 12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.634 12.268 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.076 11.953 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.644 12.721 10.225 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.059 14.582 12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.037 15.176 10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.084 15.960 12.189 1.00 0.00 H new ATOM 404 N ALA A 25 -14.145 13.245 8.885 1.00 0.00 N ATOM 405 CA ALA A 25 -15.212 12.278 8.556 1.00 0.00 C ATOM 406 C ALA A 25 -14.895 10.898 9.183 1.00 0.00 C ATOM 407 O ALA A 25 -15.797 10.249 9.726 1.00 0.00 O ATOM 408 CB ALA A 25 -15.406 12.179 7.031 1.00 0.00 C ATOM 0 H ALA A 25 -13.569 13.508 8.085 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.152 12.631 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.196 11.461 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.682 13.156 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.477 11.849 6.567 1.00 0.00 H new ATOM 414 N HIS A 26 -13.604 10.471 9.088 1.00 0.00 N ATOM 415 CA HIS A 26 -13.058 9.279 9.794 1.00 0.00 C ATOM 416 C HIS A 26 -11.545 9.147 9.505 1.00 0.00 C ATOM 417 O HIS A 26 -11.160 8.903 8.361 1.00 0.00 O ATOM 418 CB HIS A 26 -13.778 7.972 9.376 1.00 0.00 C ATOM 419 CG HIS A 26 -13.424 6.795 10.237 1.00 0.00 C ATOM 420 ND1 HIS A 26 -12.767 5.679 9.775 1.00 0.00 N ATOM 421 CD2 HIS A 26 -13.667 6.560 11.550 1.00 0.00 C ATOM 422 CE1 HIS A 26 -12.619 4.821 10.760 1.00 0.00 C ATOM 423 NE2 HIS A 26 -13.153 5.329 11.841 1.00 0.00 N ATOM 0 H HIS A 26 -12.909 10.949 8.515 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.227 9.426 10.861 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.856 8.131 9.416 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.528 7.743 8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.172 7.222 12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.137 3.857 10.689 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.181 4.877 12.755 1.00 0.00 H new ATOM 432 N ASP A 27 -10.708 9.261 10.552 1.00 0.00 N ATOM 433 CA ASP A 27 -9.230 9.341 10.411 1.00 0.00 C ATOM 434 C ASP A 27 -8.573 7.978 10.107 1.00 0.00 C ATOM 435 O ASP A 27 -7.622 7.902 9.325 1.00 0.00 O ATOM 436 CB ASP A 27 -8.588 9.956 11.690 1.00 0.00 C ATOM 437 CG ASP A 27 -8.750 9.080 12.954 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.858 9.048 13.519 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.767 8.445 13.405 1.00 0.00 O ATOM 0 H ASP A 27 -11.029 9.301 11.519 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.044 9.988 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.526 10.122 11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.036 10.932 11.876 1.00 0.00 H new ATOM 444 N ASP A 28 -9.080 6.903 10.724 1.00 0.00 N ATOM 445 CA ASP A 28 -8.397 5.598 10.742 1.00 0.00 C ATOM 446 C ASP A 28 -9.101 4.592 9.817 1.00 0.00 C ATOM 447 O ASP A 28 -9.884 3.756 10.275 1.00 0.00 O ATOM 448 CB ASP A 28 -8.336 5.085 12.210 1.00 0.00 C ATOM 449 CG ASP A 28 -7.473 3.822 12.389 1.00 0.00 C ATOM 450 OD1 ASP A 28 -6.232 3.950 12.497 1.00 0.00 O ATOM 451 OD2 ASP A 28 -8.023 2.699 12.427 1.00 0.00 O ATOM 0 H ASP A 28 -9.970 6.910 11.223 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.381 5.711 10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.941 5.877 12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.349 4.874 12.554 1.00 0.00 H new ATOM 456 N HIS A 29 -8.884 4.715 8.496 1.00 0.00 N ATOM 457 CA HIS A 29 -9.351 3.701 7.529 1.00 0.00 C ATOM 458 C HIS A 29 -8.141 3.163 6.760 1.00 0.00 C ATOM 459 O HIS A 29 -7.739 3.704 5.729 1.00 0.00 O ATOM 460 CB HIS A 29 -10.427 4.275 6.584 1.00 0.00 C ATOM 461 CG HIS A 29 -11.107 3.230 5.728 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.367 3.395 4.390 1.00 0.00 N ATOM 463 CD2 HIS A 29 -11.600 2.004 6.045 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.990 2.329 3.928 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.140 1.474 4.906 1.00 0.00 N ATOM 0 H HIS A 29 -8.391 5.501 8.073 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.826 2.879 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.181 4.792 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.967 5.020 5.935 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.571 1.535 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.322 2.186 2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.587 0.560 4.831 1.00 0.00 H new ATOM 474 N VAL A 30 -7.568 2.091 7.300 1.00 0.00 N ATOM 475 CA VAL A 30 -6.218 1.633 6.965 1.00 0.00 C ATOM 476 C VAL A 30 -6.259 0.427 6.001 1.00 0.00 C ATOM 477 O VAL A 30 -6.826 -0.618 6.337 1.00 0.00 O ATOM 478 CB VAL A 30 -5.463 1.240 8.289 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.980 0.942 8.015 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.621 2.339 9.369 1.00 0.00 C ATOM 0 H VAL A 30 -8.034 1.505 7.993 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.689 2.443 6.462 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.920 0.328 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.484 0.674 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.899 0.115 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.503 1.826 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.089 2.040 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.207 3.276 8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.678 2.475 9.598 1.00 0.00 H new ATOM 490 N VAL A 31 -5.650 0.585 4.812 1.00 0.00 N ATOM 491 CA VAL A 31 -5.498 -0.494 3.815 1.00 0.00 C ATOM 492 C VAL A 31 -4.054 -1.032 3.868 1.00 0.00 C ATOM 493 O VAL A 31 -3.127 -0.290 4.209 1.00 0.00 O ATOM 494 CB VAL A 31 -5.841 0.022 2.361 1.00 0.00 C ATOM 495 CG1 VAL A 31 -4.914 1.181 1.919 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.847 -1.128 1.315 1.00 0.00 C ATOM 0 H VAL A 31 -5.246 1.472 4.512 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.196 -1.296 4.053 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.855 0.419 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.187 1.502 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.023 2.017 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.879 0.840 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.088 -0.724 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.863 -1.597 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.594 -1.871 1.595 1.00 0.00 H new ATOM 506 N SER A 32 -3.885 -2.323 3.567 1.00 0.00 N ATOM 507 CA SER A 32 -2.573 -2.973 3.468 1.00 0.00 C ATOM 508 C SER A 32 -2.538 -3.883 2.233 1.00 0.00 C ATOM 509 O SER A 32 -3.483 -4.648 2.001 1.00 0.00 O ATOM 510 CB SER A 32 -2.287 -3.790 4.746 1.00 0.00 C ATOM 511 OG SER A 32 -3.299 -4.770 4.996 1.00 0.00 O ATOM 0 H SER A 32 -4.665 -2.955 3.383 1.00 0.00 H new ATOM 0 HA SER A 32 -1.802 -2.209 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.320 -4.284 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.218 -3.115 5.599 1.00 0.00 H new ATOM 0 HG SER A 32 -3.683 -5.068 4.145 1.00 0.00 H new ATOM 517 N LEU A 33 -1.474 -3.771 1.430 1.00 0.00 N ATOM 518 CA LEU A 33 -1.222 -4.691 0.307 1.00 0.00 C ATOM 519 C LEU A 33 -0.007 -5.560 0.629 1.00 0.00 C ATOM 520 O LEU A 33 1.068 -5.034 0.924 1.00 0.00 O ATOM 521 CB LEU A 33 -0.989 -3.915 -1.008 1.00 0.00 C ATOM 522 CG LEU A 33 -2.206 -3.109 -1.555 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.834 -2.435 -2.885 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.468 -4.000 -1.712 1.00 0.00 C ATOM 0 H LEU A 33 -0.765 -3.046 1.536 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.099 -5.323 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.160 -3.223 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.676 -4.624 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.455 -2.337 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.690 -1.874 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.996 -1.756 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.552 -3.196 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.292 -3.399 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.256 -4.812 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.743 -4.416 -0.743 1.00 0.00 H new ATOM 536 N ILE A 34 -0.182 -6.882 0.551 1.00 0.00 N ATOM 537 CA ILE A 34 0.853 -7.853 0.905 1.00 0.00 C ATOM 538 C ILE A 34 1.723 -8.135 -0.333 1.00 0.00 C ATOM 539 O ILE A 34 1.242 -8.687 -1.333 1.00 0.00 O ATOM 540 CB ILE A 34 0.248 -9.211 1.466 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.548 -8.995 2.811 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.366 -10.274 1.670 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.861 -8.217 2.705 1.00 0.00 C ATOM 0 H ILE A 34 -1.053 -7.310 0.238 1.00 0.00 H new ATOM 0 HA ILE A 34 1.456 -7.422 1.704 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.457 -9.576 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.764 -9.973 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.102 -8.474 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.927 -11.195 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.855 -10.476 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.101 -9.897 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.315 -8.134 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.662 -7.220 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.542 -8.742 2.035 1.00 0.00 H new ATOM 555 N PHE A 35 2.986 -7.699 -0.264 1.00 0.00 N ATOM 556 CA PHE A 35 4.033 -8.043 -1.236 1.00 0.00 C ATOM 557 C PHE A 35 4.961 -9.086 -0.600 1.00 0.00 C ATOM 558 O PHE A 35 5.490 -8.853 0.483 1.00 0.00 O ATOM 559 CB PHE A 35 4.824 -6.774 -1.646 1.00 0.00 C ATOM 560 CG PHE A 35 3.971 -5.722 -2.361 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.250 -4.764 -1.644 1.00 0.00 C ATOM 562 CD2 PHE A 35 3.903 -5.686 -3.755 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.493 -3.807 -2.299 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.149 -4.729 -4.405 1.00 0.00 C ATOM 565 CZ PHE A 35 2.446 -3.787 -3.678 1.00 0.00 C ATOM 0 H PHE A 35 3.316 -7.086 0.482 1.00 0.00 H new ATOM 0 HA PHE A 35 3.585 -8.458 -2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.265 -6.327 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.648 -7.065 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.283 -4.770 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.448 -6.417 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.939 -3.075 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.109 -4.717 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.861 -3.036 -4.188 1.00 0.00 H new ATOM 575 N THR A 36 5.135 -10.232 -1.265 1.00 0.00 N ATOM 576 CA THR A 36 5.926 -11.354 -0.731 1.00 0.00 C ATOM 577 C THR A 36 7.084 -11.697 -1.687 1.00 0.00 C ATOM 578 O THR A 36 6.870 -12.231 -2.778 1.00 0.00 O ATOM 579 CB THR A 36 5.014 -12.601 -0.491 1.00 0.00 C ATOM 580 OG1 THR A 36 3.924 -12.226 0.370 1.00 0.00 O ATOM 581 CG2 THR A 36 5.775 -13.775 0.149 1.00 0.00 C ATOM 0 H THR A 36 4.735 -10.412 -2.186 1.00 0.00 H new ATOM 0 HA THR A 36 6.352 -11.055 0.227 1.00 0.00 H new ATOM 0 HB THR A 36 4.652 -12.934 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.346 -13.003 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.095 -14.614 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.592 -14.079 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.178 -13.465 1.113 1.00 0.00 H new ATOM 589 N GLN A 37 8.304 -11.353 -1.269 1.00 0.00 N ATOM 590 CA GLN A 37 9.540 -11.721 -1.963 1.00 0.00 C ATOM 591 C GLN A 37 9.967 -13.118 -1.516 1.00 0.00 C ATOM 592 O GLN A 37 10.586 -13.272 -0.459 1.00 0.00 O ATOM 593 CB GLN A 37 10.659 -10.695 -1.644 1.00 0.00 C ATOM 594 CG GLN A 37 12.049 -11.037 -2.221 1.00 0.00 C ATOM 595 CD GLN A 37 13.118 -10.046 -1.780 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.795 -10.238 -0.770 1.00 0.00 O ATOM 597 NE2 GLN A 37 13.242 -8.962 -2.510 1.00 0.00 N ATOM 0 H GLN A 37 8.463 -10.802 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 37 9.366 -11.719 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.355 -9.720 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.746 -10.601 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.334 -12.040 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.995 -11.049 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.663 -8.838 -3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.917 -8.244 -2.246 1.00 0.00 H new ATOM 606 N SER A 38 9.601 -14.137 -2.289 1.00 0.00 N ATOM 607 CA SER A 38 10.021 -15.503 -1.986 1.00 0.00 C ATOM 608 C SER A 38 11.495 -15.684 -2.386 1.00 0.00 C ATOM 609 O SER A 38 11.920 -15.225 -3.454 1.00 0.00 O ATOM 610 CB SER A 38 9.116 -16.515 -2.713 1.00 0.00 C ATOM 611 OG SER A 38 7.752 -16.206 -2.494 1.00 0.00 O ATOM 0 H SER A 38 9.020 -14.045 -3.122 1.00 0.00 H new ATOM 0 HA SER A 38 9.926 -15.686 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.331 -16.502 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.328 -17.523 -2.357 1.00 0.00 H new ATOM 0 HG SER A 38 7.190 -16.857 -2.964 1.00 0.00 H new ATOM 617 N GLY A 39 12.253 -16.314 -1.492 1.00 0.00 N ATOM 618 CA GLY A 39 13.630 -16.718 -1.743 1.00 0.00 C ATOM 619 C GLY A 39 13.826 -18.179 -1.392 1.00 0.00 C ATOM 620 O GLY A 39 12.848 -18.913 -1.130 1.00 0.00 O ATOM 0 H GLY A 39 11.921 -16.561 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.878 -16.553 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.309 -16.102 -1.154 1.00 0.00 H new ATOM 624 N LYS A 40 15.083 -18.608 -1.342 1.00 0.00 N ATOM 625 CA LYS A 40 15.442 -19.982 -0.977 1.00 0.00 C ATOM 626 C LYS A 40 16.687 -19.956 -0.088 1.00 0.00 C ATOM 627 O LYS A 40 17.573 -19.121 -0.287 1.00 0.00 O ATOM 628 CB LYS A 40 15.613 -20.841 -2.268 1.00 0.00 C ATOM 629 CG LYS A 40 16.734 -20.438 -3.260 1.00 0.00 C ATOM 630 CD LYS A 40 18.122 -21.021 -2.902 1.00 0.00 C ATOM 631 CE LYS A 40 19.191 -20.670 -3.943 1.00 0.00 C ATOM 632 NZ LYS A 40 18.974 -21.331 -5.255 1.00 0.00 N ATOM 0 H LYS A 40 15.886 -18.015 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 40 14.648 -20.454 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.790 -21.872 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.666 -20.826 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.458 -20.770 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.804 -19.351 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.431 -20.644 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.046 -22.105 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.207 -19.590 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.170 -20.955 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.765 -21.107 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.919 -22.361 -5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.086 -20.989 -5.673 1.00 0.00 H new ATOM 646 N ARG A 41 16.752 -20.853 0.903 1.00 0.00 N ATOM 647 CA ARG A 41 17.840 -20.859 1.899 1.00 0.00 C ATOM 648 C ARG A 41 18.707 -22.108 1.729 1.00 0.00 C ATOM 649 O ARG A 41 18.201 -23.230 1.800 1.00 0.00 O ATOM 650 CB ARG A 41 17.259 -20.824 3.339 1.00 0.00 C ATOM 651 CG ARG A 41 18.320 -20.729 4.462 1.00 0.00 C ATOM 652 CD ARG A 41 17.720 -20.859 5.876 1.00 0.00 C ATOM 653 NE ARG A 41 16.735 -19.804 6.178 1.00 0.00 N ATOM 654 CZ ARG A 41 15.914 -19.794 7.242 1.00 0.00 C ATOM 655 NH1 ARG A 41 15.915 -20.792 8.124 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.076 -18.783 7.401 1.00 0.00 N ATOM 0 H ARG A 41 16.061 -21.590 1.040 1.00 0.00 H new ATOM 0 HA ARG A 41 18.452 -19.971 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.583 -19.973 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.662 -21.722 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.065 -21.512 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.841 -19.775 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.243 -21.834 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.523 -20.821 6.612 1.00 0.00 H new ATOM 0 HE ARG A 41 16.672 -19.020 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.547 -21.583 7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.284 -20.765 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.058 -18.023 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.447 -18.763 8.204 1.00 0.00 H new ATOM 670 N ASP A 42 20.010 -21.893 1.504 1.00 0.00 N ATOM 671 CA ASP A 42 21.018 -22.956 1.532 1.00 0.00 C ATOM 672 C ASP A 42 21.216 -23.402 2.976 1.00 0.00 C ATOM 673 O ASP A 42 21.616 -22.601 3.810 1.00 0.00 O ATOM 674 CB ASP A 42 22.349 -22.443 0.936 1.00 0.00 C ATOM 675 CG ASP A 42 23.519 -23.428 1.083 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.401 -24.586 0.635 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.542 -23.059 1.686 1.00 0.00 O ATOM 0 H ASP A 42 20.394 -20.971 1.297 1.00 0.00 H new ATOM 0 HA ASP A 42 20.683 -23.802 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.202 -22.225 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.615 -21.504 1.421 1.00 0.00 H new ATOM 682 N LEU A 43 20.921 -24.675 3.253 1.00 0.00 N ATOM 683 CA LEU A 43 20.997 -25.233 4.615 1.00 0.00 C ATOM 684 C LEU A 43 22.430 -25.552 5.045 1.00 0.00 C ATOM 685 O LEU A 43 22.687 -25.679 6.241 1.00 0.00 O ATOM 686 CB LEU A 43 20.107 -26.496 4.725 1.00 0.00 C ATOM 687 CG LEU A 43 18.563 -26.230 4.694 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.766 -27.534 4.884 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.150 -25.166 5.735 1.00 0.00 C ATOM 0 H LEU A 43 20.624 -25.348 2.547 1.00 0.00 H new ATOM 0 HA LEU A 43 20.628 -24.466 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.360 -27.171 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.352 -27.013 5.653 1.00 0.00 H new ATOM 0 HG LEU A 43 18.321 -25.834 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.699 -27.315 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.013 -28.231 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.021 -27.980 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.073 -25.007 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.420 -25.510 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.665 -24.229 5.522 1.00 0.00 H new ATOM 701 N THR A 44 23.356 -25.662 4.085 1.00 0.00 N ATOM 702 CA THR A 44 24.713 -26.133 4.369 1.00 0.00 C ATOM 703 C THR A 44 25.530 -25.022 5.055 1.00 0.00 C ATOM 704 O THR A 44 26.160 -25.251 6.095 1.00 0.00 O ATOM 705 CB THR A 44 25.428 -26.638 3.075 1.00 0.00 C ATOM 706 OG1 THR A 44 25.911 -25.551 2.280 1.00 0.00 O ATOM 707 CG2 THR A 44 24.499 -27.486 2.199 1.00 0.00 C ATOM 0 H THR A 44 23.189 -25.431 3.106 1.00 0.00 H new ATOM 0 HA THR A 44 24.641 -26.982 5.049 1.00 0.00 H new ATOM 0 HB THR A 44 26.264 -27.248 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.201 -24.884 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.037 -27.816 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.161 -28.356 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 44 23.636 -26.890 1.900 1.00 0.00 H new ATOM 715 N ASN A 45 25.491 -23.817 4.468 1.00 0.00 N ATOM 716 CA ASN A 45 26.117 -22.609 5.067 1.00 0.00 C ATOM 717 C ASN A 45 25.103 -21.914 5.993 1.00 0.00 C ATOM 718 O ASN A 45 25.472 -21.337 7.026 1.00 0.00 O ATOM 719 CB ASN A 45 26.577 -21.635 3.938 1.00 0.00 C ATOM 720 CG ASN A 45 27.505 -20.490 4.396 1.00 0.00 C ATOM 721 OD1 ASN A 45 27.499 -20.062 5.551 1.00 0.00 O ATOM 722 ND2 ASN A 45 28.295 -19.964 3.479 1.00 0.00 N ATOM 0 H ASN A 45 25.032 -23.643 3.574 1.00 0.00 H new ATOM 0 HA ASN A 45 26.990 -22.902 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.091 -22.212 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.692 -21.200 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 45 28.914 -19.190 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 45 28.287 -20.331 2.527 1.00 0.00 H new ATOM 729 N GLY A 46 23.813 -22.025 5.627 1.00 0.00 N ATOM 730 CA GLY A 46 22.728 -21.342 6.348 1.00 0.00 C ATOM 731 C GLY A 46 22.317 -20.045 5.659 1.00 0.00 C ATOM 732 O GLY A 46 21.384 -19.373 6.101 1.00 0.00 O ATOM 0 H GLY A 46 23.498 -22.583 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.866 -22.005 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 46 23.049 -21.126 7.367 1.00 0.00 H new ATOM 736 N LYS A 47 22.999 -19.734 4.542 1.00 0.00 N ATOM 737 CA LYS A 47 22.843 -18.474 3.800 1.00 0.00 C ATOM 738 C LYS A 47 21.482 -18.403 3.084 1.00 0.00 C ATOM 739 O LYS A 47 20.967 -19.420 2.613 1.00 0.00 O ATOM 740 CB LYS A 47 24.004 -18.313 2.783 1.00 0.00 C ATOM 741 CG LYS A 47 24.159 -19.473 1.783 1.00 0.00 C ATOM 742 CD LYS A 47 25.296 -19.255 0.762 1.00 0.00 C ATOM 743 CE LYS A 47 25.056 -18.032 -0.144 1.00 0.00 C ATOM 744 NZ LYS A 47 26.171 -17.830 -1.104 1.00 0.00 N ATOM 0 H LYS A 47 23.685 -20.363 4.124 1.00 0.00 H new ATOM 0 HA LYS A 47 22.878 -17.653 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.852 -17.390 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.937 -18.202 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.347 -20.395 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.220 -19.608 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.238 -19.128 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.398 -20.146 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.123 -18.163 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.941 -17.140 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.973 -16.998 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.057 -17.680 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.265 -18.671 -1.709 1.00 0.00 H new ATOM 758 N GLU A 48 20.925 -17.186 2.995 1.00 0.00 N ATOM 759 CA GLU A 48 19.587 -16.942 2.424 1.00 0.00 C ATOM 760 C GLU A 48 19.716 -16.174 1.109 1.00 0.00 C ATOM 761 O GLU A 48 20.129 -15.008 1.092 1.00 0.00 O ATOM 762 CB GLU A 48 18.716 -16.179 3.451 1.00 0.00 C ATOM 763 CG GLU A 48 18.382 -17.023 4.698 1.00 0.00 C ATOM 764 CD GLU A 48 17.480 -16.315 5.713 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.989 -15.474 6.484 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.262 -16.608 5.760 1.00 0.00 O ATOM 0 H GLU A 48 21.390 -16.338 3.318 1.00 0.00 H new ATOM 0 HA GLU A 48 19.097 -17.891 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.237 -15.273 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.789 -15.865 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.897 -17.945 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.312 -17.306 5.191 1.00 0.00 H new ATOM 773 N ILE A 49 19.365 -16.861 0.014 1.00 0.00 N ATOM 774 CA ILE A 49 19.452 -16.340 -1.351 1.00 0.00 C ATOM 775 C ILE A 49 18.062 -15.828 -1.742 1.00 0.00 C ATOM 776 O ILE A 49 17.194 -16.607 -2.149 1.00 0.00 O ATOM 777 CB ILE A 49 19.948 -17.420 -2.411 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.331 -18.060 -2.010 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.024 -16.800 -3.836 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.271 -19.110 -0.901 1.00 0.00 C ATOM 0 H ILE A 49 19.005 -17.815 0.056 1.00 0.00 H new ATOM 0 HA ILE A 49 20.197 -15.544 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 49 19.211 -18.223 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.771 -18.517 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.004 -17.262 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.365 -17.556 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.037 -16.445 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.724 -15.964 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.274 -19.487 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.866 -18.659 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.630 -19.934 -1.214 1.00 0.00 H new ATOM 792 N TRP A 50 17.837 -14.534 -1.530 1.00 0.00 N ATOM 793 CA TRP A 50 16.601 -13.855 -1.935 1.00 0.00 C ATOM 794 C TRP A 50 16.752 -13.413 -3.387 1.00 0.00 C ATOM 795 O TRP A 50 17.836 -12.960 -3.770 1.00 0.00 O ATOM 796 CB TRP A 50 16.359 -12.623 -1.030 1.00 0.00 C ATOM 797 CG TRP A 50 16.454 -12.930 0.450 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.528 -12.731 1.269 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.446 -13.508 1.267 1.00 0.00 C ATOM 800 NE1 TRP A 50 17.234 -13.129 2.544 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.961 -13.608 2.571 1.00 0.00 C ATOM 802 CE3 TRP A 50 14.155 -13.939 1.022 1.00 0.00 C ATOM 803 CZ2 TRP A 50 15.222 -14.114 3.629 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.432 -14.452 2.062 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.956 -14.535 3.356 1.00 0.00 C ATOM 0 H TRP A 50 18.509 -13.920 -1.070 1.00 0.00 H new ATOM 0 HA TRP A 50 15.751 -14.530 -1.836 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.086 -11.851 -1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.372 -12.213 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.475 -12.318 0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.865 -13.075 3.343 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.728 -13.872 0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.632 -14.172 4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.427 -14.803 1.879 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.347 -14.939 4.151 1.00 0.00 H new ATOM 816 N ASP A 51 15.685 -13.535 -4.190 1.00 0.00 N ATOM 817 CA ASP A 51 15.711 -13.067 -5.579 1.00 0.00 C ATOM 818 C ASP A 51 15.786 -11.520 -5.570 1.00 0.00 C ATOM 819 O ASP A 51 14.833 -10.849 -5.162 1.00 0.00 O ATOM 820 CB ASP A 51 14.473 -13.579 -6.367 1.00 0.00 C ATOM 821 CG ASP A 51 14.605 -13.373 -7.893 1.00 0.00 C ATOM 822 OD1 ASP A 51 14.413 -12.249 -8.373 1.00 0.00 O ATOM 823 OD2 ASP A 51 14.930 -14.338 -8.621 1.00 0.00 O ATOM 0 H ASP A 51 14.800 -13.951 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 51 16.587 -13.467 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.330 -14.639 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.582 -13.061 -6.011 1.00 0.00 H new ATOM 828 N SER A 52 16.949 -10.981 -5.978 1.00 0.00 N ATOM 829 CA SER A 52 17.241 -9.534 -5.938 1.00 0.00 C ATOM 830 C SER A 52 16.574 -8.781 -7.111 1.00 0.00 C ATOM 831 O SER A 52 16.619 -7.546 -7.176 1.00 0.00 O ATOM 832 CB SER A 52 18.777 -9.317 -5.923 1.00 0.00 C ATOM 833 OG SER A 52 19.111 -7.946 -5.758 1.00 0.00 O ATOM 0 H SER A 52 17.718 -11.540 -6.347 1.00 0.00 H new ATOM 0 HA SER A 52 16.816 -9.119 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.219 -9.899 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.206 -9.687 -6.854 1.00 0.00 H new ATOM 0 HG SER A 52 18.457 -7.391 -6.232 1.00 0.00 H new ATOM 839 N LYS A 53 15.946 -9.529 -8.031 1.00 0.00 N ATOM 840 CA LYS A 53 15.170 -8.954 -9.140 1.00 0.00 C ATOM 841 C LYS A 53 13.668 -9.029 -8.832 1.00 0.00 C ATOM 842 O LYS A 53 12.862 -8.533 -9.628 1.00 0.00 O ATOM 843 CB LYS A 53 15.444 -9.742 -10.447 1.00 0.00 C ATOM 844 CG LYS A 53 16.930 -9.879 -10.843 1.00 0.00 C ATOM 845 CD LYS A 53 17.159 -10.849 -12.042 1.00 0.00 C ATOM 846 CE LYS A 53 17.090 -12.348 -11.656 1.00 0.00 C ATOM 847 NZ LYS A 53 15.784 -12.758 -11.053 1.00 0.00 N ATOM 0 H LYS A 53 15.962 -10.549 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 53 15.471 -7.914 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.020 -10.741 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.912 -9.253 -11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.323 -8.895 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.497 -10.235 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.412 -10.646 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.134 -10.642 -12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.274 -12.951 -12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.890 -12.569 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.704 -13.795 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.735 -12.423 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.003 -12.341 -11.599 1.00 0.00 H new ATOM 861 N TRP A 54 13.297 -9.674 -7.693 1.00 0.00 N ATOM 862 CA TRP A 54 11.899 -9.988 -7.367 1.00 0.00 C ATOM 863 C TRP A 54 11.089 -8.699 -7.221 1.00 0.00 C ATOM 864 O TRP A 54 11.384 -7.856 -6.368 1.00 0.00 O ATOM 865 CB TRP A 54 11.778 -10.851 -6.084 1.00 0.00 C ATOM 866 CG TRP A 54 10.395 -11.448 -5.870 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.255 -10.804 -5.446 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.016 -12.821 -6.075 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.211 -11.690 -5.377 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.652 -12.931 -5.755 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.705 -13.965 -6.500 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.964 -14.137 -5.841 1.00 0.00 C ATOM 873 CZ3 TRP A 54 10.020 -15.162 -6.589 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.661 -15.241 -6.259 1.00 0.00 C ATOM 0 H TRP A 54 13.963 -9.985 -6.985 1.00 0.00 H new ATOM 0 HA TRP A 54 11.495 -10.576 -8.191 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.508 -11.659 -6.131 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.036 -10.238 -5.220 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.192 -9.754 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.259 -11.462 -5.090 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.753 -13.912 -6.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.916 -14.201 -5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.540 -16.050 -6.918 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.152 -16.191 -6.335 1.00 0.00 H new ATOM 885 N SER A 55 10.065 -8.579 -8.056 1.00 0.00 N ATOM 886 CA SER A 55 9.206 -7.413 -8.129 1.00 0.00 C ATOM 887 C SER A 55 7.767 -7.878 -8.299 1.00 0.00 C ATOM 888 O SER A 55 7.420 -8.460 -9.334 1.00 0.00 O ATOM 889 CB SER A 55 9.670 -6.518 -9.303 1.00 0.00 C ATOM 890 OG SER A 55 9.899 -7.276 -10.484 1.00 0.00 O ATOM 0 H SER A 55 9.805 -9.311 -8.717 1.00 0.00 H new ATOM 0 HA SER A 55 9.265 -6.821 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.916 -5.756 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.585 -5.996 -9.023 1.00 0.00 H new ATOM 0 HG SER A 55 9.197 -7.953 -10.579 1.00 0.00 H new ATOM 896 N LEU A 56 6.950 -7.660 -7.263 1.00 0.00 N ATOM 897 CA LEU A 56 5.535 -8.022 -7.281 1.00 0.00 C ATOM 898 C LEU A 56 4.709 -6.760 -7.523 1.00 0.00 C ATOM 899 O LEU A 56 4.981 -5.721 -6.921 1.00 0.00 O ATOM 900 CB LEU A 56 5.102 -8.690 -5.947 1.00 0.00 C ATOM 901 CG LEU A 56 3.591 -9.092 -5.865 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.226 -10.169 -6.911 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.215 -9.545 -4.450 1.00 0.00 C ATOM 0 H LEU A 56 7.254 -7.228 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 56 5.368 -8.744 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.708 -9.583 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.325 -8.007 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 56 3.006 -8.202 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.169 -10.420 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.424 -9.786 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.827 -11.062 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.160 -9.818 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.820 -10.408 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.397 -8.732 -3.747 1.00 0.00 H new ATOM 915 N THR A 57 3.720 -6.856 -8.413 1.00 0.00 N ATOM 916 CA THR A 57 2.745 -5.792 -8.649 1.00 0.00 C ATOM 917 C THR A 57 1.466 -6.122 -7.857 1.00 0.00 C ATOM 918 O THR A 57 1.121 -7.302 -7.708 1.00 0.00 O ATOM 919 CB THR A 57 2.420 -5.675 -10.176 1.00 0.00 C ATOM 920 OG1 THR A 57 3.640 -5.670 -10.936 1.00 0.00 O ATOM 921 CG2 THR A 57 1.619 -4.398 -10.503 1.00 0.00 C ATOM 0 H THR A 57 3.573 -7.681 -8.994 1.00 0.00 H new ATOM 0 HA THR A 57 3.154 -4.837 -8.319 1.00 0.00 H new ATOM 0 HB THR A 57 1.808 -6.537 -10.443 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.430 -5.598 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.417 -4.360 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.676 -4.410 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.197 -3.521 -10.211 1.00 0.00 H new ATOM 929 N GLN A 58 0.786 -5.094 -7.336 1.00 0.00 N ATOM 930 CA GLN A 58 -0.481 -5.250 -6.610 1.00 0.00 C ATOM 931 C GLN A 58 -1.308 -3.991 -6.852 1.00 0.00 C ATOM 932 O GLN A 58 -0.801 -2.874 -6.679 1.00 0.00 O ATOM 933 CB GLN A 58 -0.233 -5.454 -5.088 1.00 0.00 C ATOM 934 CG GLN A 58 -1.420 -6.048 -4.307 1.00 0.00 C ATOM 935 CD GLN A 58 -1.645 -7.544 -4.564 1.00 0.00 C ATOM 936 OE1 GLN A 58 -2.780 -8.009 -4.563 1.00 0.00 O ATOM 937 NE2 GLN A 58 -0.571 -8.317 -4.749 1.00 0.00 N ATOM 0 H GLN A 58 1.100 -4.126 -7.406 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.010 -6.133 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.630 -6.108 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.028 -4.492 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.255 -5.893 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.326 -5.503 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.362 -7.904 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.684 -9.320 -4.894 1.00 0.00 H new ATOM 946 N THR A 59 -2.565 -4.180 -7.262 1.00 0.00 N ATOM 947 CA THR A 59 -3.456 -3.084 -7.610 1.00 0.00 C ATOM 948 C THR A 59 -3.921 -2.361 -6.338 1.00 0.00 C ATOM 949 O THR A 59 -4.731 -2.898 -5.564 1.00 0.00 O ATOM 950 CB THR A 59 -4.683 -3.594 -8.433 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.236 -4.510 -9.451 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.440 -2.432 -9.096 1.00 0.00 C ATOM 0 H THR A 59 -2.989 -5.102 -7.360 1.00 0.00 H new ATOM 0 HA THR A 59 -2.907 -2.380 -8.235 1.00 0.00 H new ATOM 0 HB THR A 59 -5.362 -4.097 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.007 -4.830 -9.965 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.287 -2.824 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.801 -1.748 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.770 -1.899 -9.771 1.00 0.00 H new ATOM 960 N PHE A 60 -3.344 -1.171 -6.102 1.00 0.00 N ATOM 961 CA PHE A 60 -3.807 -0.262 -5.051 1.00 0.00 C ATOM 962 C PHE A 60 -5.226 0.213 -5.428 1.00 0.00 C ATOM 963 O PHE A 60 -5.404 0.989 -6.371 1.00 0.00 O ATOM 964 CB PHE A 60 -2.816 0.938 -4.844 1.00 0.00 C ATOM 965 CG PHE A 60 -2.447 1.204 -3.383 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.419 1.575 -2.453 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.134 1.048 -2.937 1.00 0.00 C ATOM 968 CE1 PHE A 60 -3.084 1.786 -1.128 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.806 1.250 -1.616 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.776 1.619 -0.709 1.00 0.00 C ATOM 0 H PHE A 60 -2.548 -0.817 -6.633 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.839 -0.783 -4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.904 0.742 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.262 1.839 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.444 1.699 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.364 0.765 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.844 2.081 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.215 1.119 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.515 1.778 0.327 1.00 0.00 H new ATOM 980 N GLU A 61 -6.216 -0.364 -4.749 1.00 0.00 N ATOM 981 CA GLU A 61 -7.639 -0.066 -4.950 1.00 0.00 C ATOM 982 C GLU A 61 -8.425 -0.672 -3.784 1.00 0.00 C ATOM 983 O GLU A 61 -7.838 -1.000 -2.738 1.00 0.00 O ATOM 984 CB GLU A 61 -8.145 -0.627 -6.316 1.00 0.00 C ATOM 985 CG GLU A 61 -8.185 -2.178 -6.420 1.00 0.00 C ATOM 986 CD GLU A 61 -8.950 -2.694 -7.654 1.00 0.00 C ATOM 987 OE1 GLU A 61 -10.062 -2.185 -7.930 1.00 0.00 O ATOM 988 OE2 GLU A 61 -8.477 -3.637 -8.324 1.00 0.00 O ATOM 0 H GLU A 61 -6.051 -1.067 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.788 1.013 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.147 -0.240 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.504 -0.242 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.164 -2.558 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.649 -2.582 -5.520 1.00 0.00 H new ATOM 995 N ALA A 62 -9.764 -0.775 -3.964 1.00 0.00 N ATOM 996 CA ALA A 62 -10.686 -1.436 -3.021 1.00 0.00 C ATOM 997 C ALA A 62 -10.766 -0.681 -1.683 1.00 0.00 C ATOM 998 O ALA A 62 -11.211 -1.229 -0.667 1.00 0.00 O ATOM 999 CB ALA A 62 -10.320 -2.928 -2.852 1.00 0.00 C ATOM 0 H ALA A 62 -10.237 -0.393 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.691 -1.403 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.013 -3.396 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.385 -3.430 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.304 -3.012 -2.467 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.336 0.590 -1.713 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.479 1.526 -0.615 1.00 0.00 C ATOM 1007 C LEU A 63 -11.580 2.519 -1.063 1.00 0.00 C ATOM 1008 O LEU A 63 -11.330 3.347 -1.957 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.108 2.228 -0.335 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.921 2.916 1.067 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.903 4.086 1.301 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.006 1.883 2.217 1.00 0.00 C ATOM 0 H LEU A 63 -9.870 0.993 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.763 1.047 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.319 1.486 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.953 2.984 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.919 3.346 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.724 4.520 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.751 4.847 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.927 3.717 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.873 2.390 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.981 1.396 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.224 1.134 2.092 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.819 2.420 -0.487 1.00 0.00 N ATOM 1025 CA PRO A 64 -13.971 3.273 -0.880 1.00 0.00 C ATOM 1026 C PRO A 64 -13.829 4.756 -0.441 1.00 0.00 C ATOM 1027 O PRO A 64 -12.738 5.226 -0.109 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.165 2.582 -0.170 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.563 1.944 1.038 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.212 1.447 0.577 1.00 0.00 C ATOM 0 HA PRO A 64 -14.075 3.342 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.935 3.303 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.637 1.842 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.464 2.658 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.183 1.125 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.490 1.434 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.271 0.431 0.188 1.00 0.00 H new ATOM 1038 N SER A 65 -14.956 5.474 -0.495 1.00 0.00 N ATOM 1039 CA SER A 65 -15.066 6.876 -0.084 1.00 0.00 C ATOM 1040 C SER A 65 -16.562 7.191 0.063 1.00 0.00 C ATOM 1041 O SER A 65 -17.269 7.239 -0.957 1.00 0.00 O ATOM 1042 CB SER A 65 -14.397 7.809 -1.132 1.00 0.00 C ATOM 1043 OG SER A 65 -14.421 9.181 -0.755 1.00 0.00 O ATOM 0 H SER A 65 -15.837 5.087 -0.834 1.00 0.00 H new ATOM 0 HA SER A 65 -14.550 7.043 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.363 7.497 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.905 7.693 -2.090 1.00 0.00 H new ATOM 0 HG SER A 65 -14.738 9.261 0.169 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.091 7.327 1.330 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.518 7.637 1.572 1.00 0.00 C ATOM 1051 C PRO A 66 -18.997 8.863 0.764 1.00 0.00 C ATOM 1052 O PRO A 66 -18.424 9.953 0.880 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.592 7.897 3.109 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.168 7.997 3.574 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.364 7.152 2.619 1.00 0.00 C ATOM 0 HA PRO A 66 -19.172 6.827 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.140 8.814 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.114 7.087 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.825 9.032 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.065 7.636 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.331 7.492 2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.336 6.107 2.929 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.023 8.646 -0.078 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.608 9.699 -0.916 1.00 0.00 C ATOM 1065 C VAL A 67 -21.444 10.617 -0.017 1.00 0.00 C ATOM 1066 O VAL A 67 -22.477 10.202 0.508 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.485 9.087 -2.073 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.076 10.192 -2.987 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.661 8.059 -2.894 1.00 0.00 C ATOM 0 H VAL A 67 -20.467 7.735 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.813 10.272 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.326 8.565 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.675 9.732 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.704 10.857 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.265 10.765 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.282 7.646 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.794 8.554 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.327 7.254 -2.239 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.953 11.838 0.206 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.568 12.807 1.121 1.00 0.00 C ATOM 1081 C ILE A 68 -22.356 13.843 0.298 1.00 0.00 C ATOM 1082 O ILE A 68 -21.855 14.335 -0.718 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.457 13.502 2.003 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.591 12.428 2.746 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.077 14.494 3.011 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.515 12.973 3.672 1.00 0.00 C ATOM 0 H ILE A 68 -20.109 12.187 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.256 12.297 1.796 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.809 14.069 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.257 11.791 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.114 11.793 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.285 14.955 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.624 15.267 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.760 13.961 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.978 12.144 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.817 13.584 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.978 13.582 4.449 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.595 14.155 0.738 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.486 15.101 0.045 1.00 0.00 C ATOM 1100 C ILE A 69 -23.914 16.521 0.139 1.00 0.00 C ATOM 1101 O ILE A 69 -23.487 16.944 1.216 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.945 15.068 0.645 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.544 13.624 0.603 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.885 16.064 -0.080 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.697 13.028 -0.788 1.00 0.00 C ATOM 0 H ILE A 69 -24.002 13.756 1.584 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.547 14.800 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.868 15.377 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.908 12.966 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.522 13.639 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.880 16.012 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.494 17.076 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.943 15.806 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.120 12.026 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.360 13.657 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.721 12.973 -1.270 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.918 17.235 -1.005 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.332 18.561 -1.118 1.00 0.00 C ATOM 1119 C GLY A 70 -21.824 18.554 -0.987 1.00 0.00 C ATOM 1120 O GLY A 70 -21.224 19.594 -0.714 1.00 0.00 O ATOM 0 H GLY A 70 -24.333 16.895 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.606 18.992 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.755 19.206 -0.348 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.198 17.386 -1.204 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.743 17.224 -1.094 1.00 0.00 C ATOM 1126 C TYR A 71 -19.199 16.340 -2.212 1.00 0.00 C ATOM 1127 O TYR A 71 -19.893 15.464 -2.743 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.336 16.665 0.300 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.422 17.712 1.428 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.362 18.582 1.670 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.559 17.851 2.225 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.432 19.546 2.647 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.630 18.815 3.211 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.563 19.656 3.421 1.00 0.00 C ATOM 1135 OH TYR A 71 -19.628 20.618 4.400 1.00 0.00 O ATOM 0 H TYR A 71 -21.688 16.529 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.298 18.213 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.981 15.822 0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.317 16.282 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.464 18.497 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.400 17.192 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.600 20.216 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.520 18.908 3.815 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.494 20.563 4.855 1.00 0.00 H new ATOM 1145 N THR A 72 -17.947 16.616 -2.565 1.00 0.00 N ATOM 1146 CA THR A 72 -17.188 15.911 -3.585 1.00 0.00 C ATOM 1147 C THR A 72 -15.777 15.690 -3.025 1.00 0.00 C ATOM 1148 O THR A 72 -15.097 16.668 -2.687 1.00 0.00 O ATOM 1149 CB THR A 72 -17.134 16.755 -4.911 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.467 16.950 -5.420 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.276 16.098 -6.007 1.00 0.00 C ATOM 0 H THR A 72 -17.415 17.368 -2.128 1.00 0.00 H new ATOM 0 HA THR A 72 -17.657 14.958 -3.828 1.00 0.00 H new ATOM 0 HB THR A 72 -16.671 17.708 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.460 16.865 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.278 16.728 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.254 15.981 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.688 15.120 -6.254 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.366 14.416 -2.885 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.019 14.052 -2.403 1.00 0.00 C ATOM 1161 C ALA A 73 -12.953 14.492 -3.416 1.00 0.00 C ATOM 1162 O ALA A 73 -13.231 14.559 -4.616 1.00 0.00 O ATOM 1163 CB ALA A 73 -13.933 12.536 -2.156 1.00 0.00 C ATOM 0 H ALA A 73 -15.955 13.612 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.834 14.568 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.934 12.281 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.669 12.247 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.134 12.004 -3.086 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.741 14.802 -2.925 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.599 15.166 -3.787 1.00 0.00 C ATOM 1171 C ASP A 74 -10.152 13.924 -4.568 1.00 0.00 C ATOM 1172 O ASP A 74 -9.851 13.996 -5.758 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.440 15.741 -2.939 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.273 16.278 -3.795 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -7.360 15.507 -4.146 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.264 17.482 -4.125 1.00 0.00 O ATOM 0 H ASP A 74 -11.524 14.808 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.901 15.941 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.822 16.545 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.066 14.965 -2.271 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.151 12.784 -3.859 1.00 0.00 N ATOM 1182 CA LYS A 75 -9.963 11.459 -4.438 1.00 0.00 C ATOM 1183 C LYS A 75 -11.062 10.531 -3.880 1.00 0.00 C ATOM 1184 O LYS A 75 -10.970 10.064 -2.738 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.518 10.879 -4.216 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.962 10.865 -2.761 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.407 12.232 -2.283 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.184 12.689 -3.096 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.035 11.767 -2.972 1.00 0.00 N ATOM 0 H LYS A 75 -10.284 12.765 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.056 11.533 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.506 9.855 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.827 11.452 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.755 10.550 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.170 10.119 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.191 12.985 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.133 12.161 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.463 12.775 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.884 13.683 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.258 12.097 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.715 11.743 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.323 10.812 -3.266 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.165 10.291 -4.672 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.230 9.322 -4.306 1.00 0.00 C ATOM 1205 C PRO A 76 -12.769 7.853 -4.485 1.00 0.00 C ATOM 1206 O PRO A 76 -13.520 6.921 -4.200 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.382 9.696 -5.271 1.00 0.00 C ATOM 1208 CG PRO A 76 -13.686 10.218 -6.489 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.470 10.960 -5.972 1.00 0.00 C ATOM 0 HA PRO A 76 -13.518 9.380 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.001 8.830 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.039 10.448 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.396 9.405 -7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.337 10.880 -7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.632 10.886 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.678 12.021 -5.836 1.00 0.00 H new ATOM 1217 N MET A 77 -11.532 7.670 -4.979 1.00 0.00 N ATOM 1218 CA MET A 77 -10.872 6.368 -5.065 1.00 0.00 C ATOM 1219 C MET A 77 -9.382 6.592 -4.792 1.00 0.00 C ATOM 1220 O MET A 77 -8.705 7.303 -5.552 1.00 0.00 O ATOM 1221 CB MET A 77 -11.118 5.727 -6.450 1.00 0.00 C ATOM 1222 CG MET A 77 -10.582 4.299 -6.603 1.00 0.00 C ATOM 1223 SD MET A 77 -11.010 3.573 -8.197 1.00 0.00 S ATOM 1224 CE MET A 77 -10.157 1.997 -8.133 1.00 0.00 C ATOM 0 H MET A 77 -10.960 8.437 -5.333 1.00 0.00 H new ATOM 0 HA MET A 77 -11.277 5.673 -4.329 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.190 5.720 -6.646 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.658 6.356 -7.212 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.498 4.306 -6.489 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.982 3.676 -5.803 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.016 1.618 -9.145 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.186 2.128 -7.656 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.750 1.285 -7.558 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.897 6.008 -3.689 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.554 6.261 -3.165 1.00 0.00 C ATOM 1236 C VAL A 78 -6.497 5.441 -3.926 1.00 0.00 C ATOM 1237 O VAL A 78 -6.456 4.207 -3.817 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.503 5.952 -1.623 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.064 6.066 -1.071 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.467 6.892 -0.859 1.00 0.00 C ATOM 0 H VAL A 78 -9.432 5.341 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.322 7.316 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.827 4.922 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.065 5.846 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.419 5.355 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.691 7.077 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.424 6.669 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.173 7.928 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.484 6.741 -1.220 1.00 0.00 H new ATOM 1250 N GLY A 79 -5.677 6.175 -4.712 1.00 0.00 N ATOM 1251 CA GLY A 79 -4.519 5.639 -5.423 1.00 0.00 C ATOM 1252 C GLY A 79 -4.848 4.530 -6.408 1.00 0.00 C ATOM 1253 O GLY A 79 -4.333 3.430 -6.261 1.00 0.00 O ATOM 0 H GLY A 79 -5.814 7.174 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.029 6.451 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.803 5.260 -4.694 1.00 0.00 H new ATOM 1257 N PRO A 80 -5.679 4.794 -7.460 1.00 0.00 N ATOM 1258 CA PRO A 80 -6.129 3.747 -8.399 1.00 0.00 C ATOM 1259 C PRO A 80 -4.999 3.371 -9.381 1.00 0.00 C ATOM 1260 O PRO A 80 -4.943 3.882 -10.501 1.00 0.00 O ATOM 1261 CB PRO A 80 -7.362 4.400 -9.109 1.00 0.00 C ATOM 1262 CG PRO A 80 -7.559 5.743 -8.443 1.00 0.00 C ATOM 1263 CD PRO A 80 -6.224 6.118 -7.847 1.00 0.00 C ATOM 0 HA PRO A 80 -6.394 2.807 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.181 4.516 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.250 3.777 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.887 6.491 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.327 5.686 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.584 6.628 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.332 6.782 -6.989 1.00 0.00 H new ATOM 1271 N ASP A 81 -4.086 2.488 -8.934 1.00 0.00 N ATOM 1272 CA ASP A 81 -2.871 2.151 -9.692 1.00 0.00 C ATOM 1273 C ASP A 81 -2.263 0.829 -9.204 1.00 0.00 C ATOM 1274 O ASP A 81 -2.180 0.577 -8.007 1.00 0.00 O ATOM 1275 CB ASP A 81 -1.833 3.311 -9.590 1.00 0.00 C ATOM 1276 CG ASP A 81 -0.439 2.955 -10.138 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.304 2.707 -11.354 1.00 0.00 O ATOM 1278 OD2 ASP A 81 0.530 2.914 -9.348 1.00 0.00 O ATOM 0 H ASP A 81 -4.170 1.994 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.146 2.021 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.215 4.175 -10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.737 3.607 -8.546 1.00 0.00 H new ATOM 1283 N GLU A 82 -1.838 0.006 -10.176 1.00 0.00 N ATOM 1284 CA GLU A 82 -1.132 -1.262 -9.932 1.00 0.00 C ATOM 1285 C GLU A 82 0.323 -0.986 -9.538 1.00 0.00 C ATOM 1286 O GLU A 82 1.203 -0.891 -10.402 1.00 0.00 O ATOM 1287 CB GLU A 82 -1.205 -2.162 -11.190 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.632 -2.485 -11.642 1.00 0.00 C ATOM 1289 CD GLU A 82 -2.680 -3.392 -12.871 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -2.567 -2.876 -14.002 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -2.802 -4.629 -12.714 1.00 0.00 O ATOM 0 H GLU A 82 -1.977 0.205 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.615 -1.788 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.678 -1.670 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.679 -3.095 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.167 -2.965 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.156 -1.555 -11.863 1.00 0.00 H new ATOM 1298 N VAL A 83 0.564 -0.825 -8.233 1.00 0.00 N ATOM 1299 CA VAL A 83 1.887 -0.448 -7.713 1.00 0.00 C ATOM 1300 C VAL A 83 2.794 -1.684 -7.598 1.00 0.00 C ATOM 1301 O VAL A 83 2.414 -2.677 -6.977 1.00 0.00 O ATOM 1302 CB VAL A 83 1.794 0.260 -6.316 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.159 0.859 -5.932 1.00 0.00 C ATOM 1304 CG2 VAL A 83 0.696 1.338 -6.308 1.00 0.00 C ATOM 0 H VAL A 83 -0.145 -0.951 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 83 2.315 0.259 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 83 1.522 -0.488 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.082 1.348 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.903 0.064 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.460 1.590 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.657 1.810 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.920 2.091 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.267 0.878 -6.528 1.00 0.00 H new ATOM 1314 N THR A 84 3.989 -1.606 -8.198 1.00 0.00 N ATOM 1315 CA THR A 84 4.990 -2.676 -8.144 1.00 0.00 C ATOM 1316 C THR A 84 6.042 -2.359 -7.054 1.00 0.00 C ATOM 1317 O THR A 84 6.714 -1.323 -7.124 1.00 0.00 O ATOM 1318 CB THR A 84 5.693 -2.837 -9.535 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.705 -2.922 -10.576 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.584 -4.094 -9.593 1.00 0.00 C ATOM 0 H THR A 84 4.289 -0.794 -8.737 1.00 0.00 H new ATOM 0 HA THR A 84 4.489 -3.612 -7.896 1.00 0.00 H new ATOM 0 HB THR A 84 6.326 -1.961 -9.678 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.390 -3.847 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.051 -4.164 -10.576 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.358 -4.027 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.975 -4.980 -9.417 1.00 0.00 H new ATOM 1328 N VAL A 85 6.135 -3.222 -6.031 1.00 0.00 N ATOM 1329 CA VAL A 85 7.229 -3.183 -5.046 1.00 0.00 C ATOM 1330 C VAL A 85 8.268 -4.242 -5.426 1.00 0.00 C ATOM 1331 O VAL A 85 7.970 -5.449 -5.456 1.00 0.00 O ATOM 1332 CB VAL A 85 6.708 -3.408 -3.581 1.00 0.00 C ATOM 1333 CG1 VAL A 85 7.859 -3.550 -2.566 1.00 0.00 C ATOM 1334 CG2 VAL A 85 5.771 -2.262 -3.171 1.00 0.00 C ATOM 0 H VAL A 85 5.457 -3.965 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 85 7.684 -2.193 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 85 6.156 -4.348 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.448 -3.704 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.480 -4.403 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.464 -2.644 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.416 -2.428 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.311 -1.316 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.920 -2.227 -3.851 1.00 0.00 H new ATOM 1344 N ASP A 86 9.471 -3.766 -5.745 1.00 0.00 N ATOM 1345 CA ASP A 86 10.602 -4.607 -6.155 1.00 0.00 C ATOM 1346 C ASP A 86 11.607 -4.720 -5.012 1.00 0.00 C ATOM 1347 O ASP A 86 11.502 -4.007 -4.016 1.00 0.00 O ATOM 1348 CB ASP A 86 11.277 -4.030 -7.425 1.00 0.00 C ATOM 1349 CG ASP A 86 11.926 -2.667 -7.201 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.204 -1.656 -7.177 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.156 -2.601 -7.063 1.00 0.00 O ATOM 0 H ASP A 86 9.694 -2.771 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 86 10.232 -5.604 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.034 -4.731 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.532 -3.944 -8.216 1.00 0.00 H new ATOM 1356 N SER A 87 12.600 -5.594 -5.203 1.00 0.00 N ATOM 1357 CA SER A 87 13.576 -5.967 -4.171 1.00 0.00 C ATOM 1358 C SER A 87 14.371 -4.758 -3.626 1.00 0.00 C ATOM 1359 O SER A 87 14.764 -4.758 -2.450 1.00 0.00 O ATOM 1360 CB SER A 87 14.536 -7.042 -4.723 1.00 0.00 C ATOM 1361 OG SER A 87 15.375 -7.565 -3.700 1.00 0.00 O ATOM 0 H SER A 87 12.752 -6.070 -6.092 1.00 0.00 H new ATOM 0 HA SER A 87 13.015 -6.371 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.959 -7.851 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.150 -6.612 -5.514 1.00 0.00 H new ATOM 0 HG SER A 87 16.296 -7.263 -3.846 1.00 0.00 H new ATOM 1367 N LYS A 88 14.578 -3.733 -4.477 1.00 0.00 N ATOM 1368 CA LYS A 88 15.369 -2.535 -4.122 1.00 0.00 C ATOM 1369 C LYS A 88 14.617 -1.654 -3.104 1.00 0.00 C ATOM 1370 O LYS A 88 15.242 -1.085 -2.197 1.00 0.00 O ATOM 1371 CB LYS A 88 15.707 -1.713 -5.392 1.00 0.00 C ATOM 1372 CG LYS A 88 16.505 -2.489 -6.467 1.00 0.00 C ATOM 1373 CD LYS A 88 16.625 -1.699 -7.792 1.00 0.00 C ATOM 1374 CE LYS A 88 17.410 -2.450 -8.879 1.00 0.00 C ATOM 1375 NZ LYS A 88 18.822 -2.698 -8.494 1.00 0.00 N ATOM 0 H LYS A 88 14.204 -3.711 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 88 16.298 -2.871 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.778 -1.355 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.279 -0.833 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.502 -2.711 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.017 -3.445 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.626 -1.475 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.113 -0.745 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.920 -3.402 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.385 -1.874 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.329 -3.130 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.277 -1.797 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.851 -3.341 -7.677 1.00 0.00 H new ATOM 1389 N ASN A 89 13.276 -1.542 -3.262 1.00 0.00 N ATOM 1390 CA ASN A 89 12.419 -0.736 -2.355 1.00 0.00 C ATOM 1391 C ASN A 89 11.555 -1.634 -1.453 1.00 0.00 C ATOM 1392 O ASN A 89 10.671 -1.130 -0.755 1.00 0.00 O ATOM 1393 CB ASN A 89 11.527 0.258 -3.168 1.00 0.00 C ATOM 1394 CG ASN A 89 10.554 -0.393 -4.177 1.00 0.00 C ATOM 1395 OD1 ASN A 89 10.138 -1.537 -4.044 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.176 0.351 -5.199 1.00 0.00 N ATOM 0 H ASN A 89 12.761 -2.002 -4.013 1.00 0.00 H new ATOM 0 HA ASN A 89 13.077 -0.154 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.947 0.856 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.179 0.944 -3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.529 -0.025 -5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.531 1.302 -5.296 1.00 0.00 H new ATOM 1403 N PHE A 90 11.851 -2.956 -1.444 1.00 0.00 N ATOM 1404 CA PHE A 90 11.003 -3.969 -0.792 1.00 0.00 C ATOM 1405 C PHE A 90 10.951 -3.785 0.724 1.00 0.00 C ATOM 1406 O PHE A 90 9.878 -3.835 1.320 1.00 0.00 O ATOM 1407 CB PHE A 90 11.466 -5.414 -1.132 1.00 0.00 C ATOM 1408 CG PHE A 90 10.463 -6.476 -0.681 1.00 0.00 C ATOM 1409 CD1 PHE A 90 9.391 -6.837 -1.501 1.00 0.00 C ATOM 1410 CD2 PHE A 90 10.559 -7.072 0.577 1.00 0.00 C ATOM 1411 CE1 PHE A 90 8.461 -7.764 -1.078 1.00 0.00 C ATOM 1412 CE2 PHE A 90 9.622 -7.988 0.998 1.00 0.00 C ATOM 1413 CZ PHE A 90 8.578 -8.338 0.172 1.00 0.00 C ATOM 0 H PHE A 90 12.683 -3.344 -1.889 1.00 0.00 H new ATOM 0 HA PHE A 90 9.998 -3.824 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.619 -5.498 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.428 -5.604 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.289 -6.385 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.379 -6.811 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.641 -8.041 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.706 -8.433 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.849 -9.063 0.502 1.00 0.00 H new ATOM 1423 N LEU A 91 12.127 -3.598 1.328 1.00 0.00 N ATOM 1424 CA LEU A 91 12.274 -3.536 2.787 1.00 0.00 C ATOM 1425 C LEU A 91 11.706 -2.217 3.338 1.00 0.00 C ATOM 1426 O LEU A 91 11.313 -2.152 4.506 1.00 0.00 O ATOM 1427 CB LEU A 91 13.761 -3.744 3.204 1.00 0.00 C ATOM 1428 CG LEU A 91 14.368 -5.178 2.948 1.00 0.00 C ATOM 1429 CD1 LEU A 91 13.485 -6.287 3.580 1.00 0.00 C ATOM 1430 CD2 LEU A 91 14.628 -5.458 1.440 1.00 0.00 C ATOM 0 H LEU A 91 13.005 -3.485 0.821 1.00 0.00 H new ATOM 0 HA LEU A 91 11.696 -4.349 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.371 -3.015 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.852 -3.519 4.267 1.00 0.00 H new ATOM 0 HG LEU A 91 15.339 -5.196 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.931 -7.262 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.416 -6.128 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.487 -6.251 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.045 -6.458 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.689 -5.390 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.332 -4.723 1.049 1.00 0.00 H new ATOM 1442 N ASP A 92 11.645 -1.187 2.479 1.00 0.00 N ATOM 1443 CA ASP A 92 10.986 0.092 2.796 1.00 0.00 C ATOM 1444 C ASP A 92 9.505 0.044 2.409 1.00 0.00 C ATOM 1445 O ASP A 92 9.128 -0.587 1.422 1.00 0.00 O ATOM 1446 CB ASP A 92 11.677 1.273 2.064 1.00 0.00 C ATOM 1447 CG ASP A 92 13.097 1.535 2.586 1.00 0.00 C ATOM 1448 OD1 ASP A 92 13.233 2.036 3.728 1.00 0.00 O ATOM 1449 OD2 ASP A 92 14.079 1.229 1.874 1.00 0.00 O ATOM 0 H ASP A 92 12.051 -1.217 1.544 1.00 0.00 H new ATOM 0 HA ASP A 92 11.071 0.250 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.719 1.060 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.076 2.174 2.186 1.00 0.00 H new ATOM 1454 N LYS A 93 8.666 0.692 3.242 1.00 0.00 N ATOM 1455 CA LYS A 93 7.314 1.110 2.858 1.00 0.00 C ATOM 1456 C LYS A 93 7.426 2.215 1.793 1.00 0.00 C ATOM 1457 O LYS A 93 8.472 2.869 1.669 1.00 0.00 O ATOM 1458 CB LYS A 93 6.514 1.661 4.094 1.00 0.00 C ATOM 1459 CG LYS A 93 6.895 3.099 4.600 1.00 0.00 C ATOM 1460 CD LYS A 93 8.089 3.183 5.605 1.00 0.00 C ATOM 1461 CE LYS A 93 9.484 3.239 4.944 1.00 0.00 C ATOM 1462 NZ LYS A 93 9.597 4.333 3.953 1.00 0.00 N ATOM 0 H LYS A 93 8.913 0.938 4.201 1.00 0.00 H new ATOM 0 HA LYS A 93 6.778 0.246 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.454 1.660 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.645 0.964 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.133 3.715 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.017 3.539 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.961 4.068 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.050 2.319 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.243 3.371 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.689 2.287 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.595 4.609 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.234 4.008 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.042 5.151 4.275 1.00 0.00 H new ATOM 1476 N GLN A 94 6.335 2.468 1.082 1.00 0.00 N ATOM 1477 CA GLN A 94 6.284 3.521 0.054 1.00 0.00 C ATOM 1478 C GLN A 94 5.116 4.478 0.350 1.00 0.00 C ATOM 1479 O GLN A 94 5.253 5.695 0.205 1.00 0.00 O ATOM 1480 CB GLN A 94 6.173 2.872 -1.344 1.00 0.00 C ATOM 1481 CG GLN A 94 4.875 2.075 -1.562 1.00 0.00 C ATOM 1482 CD GLN A 94 4.802 1.286 -2.854 1.00 0.00 C ATOM 1483 OE1 GLN A 94 4.083 0.291 -2.923 1.00 0.00 O ATOM 1484 NE2 GLN A 94 5.530 1.702 -3.886 1.00 0.00 N ATOM 0 H GLN A 94 5.460 1.956 1.194 1.00 0.00 H new ATOM 0 HA GLN A 94 7.200 4.111 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.240 3.652 -2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.024 2.208 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.749 1.385 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.034 2.768 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.116 2.532 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.502 1.191 -4.769 1.00 0.00 H new ATOM 1493 N ASN A 95 3.982 3.914 0.799 1.00 0.00 N ATOM 1494 CA ASN A 95 2.776 4.670 1.181 1.00 0.00 C ATOM 1495 C ASN A 95 2.556 4.474 2.686 1.00 0.00 C ATOM 1496 O ASN A 95 2.786 3.375 3.216 1.00 0.00 O ATOM 1497 CB ASN A 95 1.539 4.180 0.386 1.00 0.00 C ATOM 1498 CG ASN A 95 1.648 4.350 -1.140 1.00 0.00 C ATOM 1499 OD1 ASN A 95 2.723 4.521 -1.704 1.00 0.00 O ATOM 1500 ND2 ASN A 95 0.540 4.238 -1.831 1.00 0.00 N ATOM 0 H ASN A 95 3.875 2.906 0.909 1.00 0.00 H new ATOM 0 HA ASN A 95 2.912 5.727 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.374 3.126 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.660 4.722 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.566 4.293 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.348 4.096 -1.351 1.00 0.00 H new ATOM 1507 N ARG A 96 2.100 5.535 3.357 1.00 0.00 N ATOM 1508 CA ARG A 96 2.003 5.611 4.823 1.00 0.00 C ATOM 1509 C ARG A 96 0.626 6.149 5.215 1.00 0.00 C ATOM 1510 O ARG A 96 -0.089 5.536 6.020 1.00 0.00 O ATOM 1511 CB ARG A 96 3.119 6.541 5.384 1.00 0.00 C ATOM 1512 CG ARG A 96 4.547 5.991 5.225 1.00 0.00 C ATOM 1513 CD ARG A 96 5.637 7.017 5.594 1.00 0.00 C ATOM 1514 NE ARG A 96 5.499 7.553 6.961 1.00 0.00 N ATOM 1515 CZ ARG A 96 6.486 8.138 7.670 1.00 0.00 C ATOM 1516 NH1 ARG A 96 7.709 8.283 7.164 1.00 0.00 N ATOM 1517 NH2 ARG A 96 6.225 8.611 8.876 1.00 0.00 N ATOM 0 H ARG A 96 1.781 6.384 2.890 1.00 0.00 H new ATOM 0 HA ARG A 96 2.134 4.615 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.057 7.506 4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.928 6.720 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.661 5.107 5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.693 5.670 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.616 6.548 5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.604 7.843 4.883 1.00 0.00 H new ATOM 0 HE ARG A 96 4.584 7.475 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.914 7.949 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.441 8.728 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.284 8.532 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.964 9.055 9.421 1.00 0.00 H new ATOM 1531 N GLU A 97 0.260 7.300 4.640 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.989 8.003 4.981 1.00 0.00 C ATOM 1533 C GLU A 97 -1.621 8.673 3.745 1.00 0.00 C ATOM 1534 O GLU A 97 -0.925 9.084 2.811 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.707 9.059 6.086 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.954 9.814 6.602 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.641 10.802 7.734 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.241 11.951 7.446 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -1.778 10.434 8.921 1.00 0.00 O ATOM 0 H GLU A 97 0.817 7.772 3.927 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.703 7.268 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.227 8.562 6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.005 9.787 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.411 10.355 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.689 9.090 6.954 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.954 8.737 3.757 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.761 9.521 2.818 1.00 0.00 C ATOM 1548 C GLU A 98 -4.623 10.504 3.616 1.00 0.00 C ATOM 1549 O GLU A 98 -4.890 10.295 4.802 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.660 8.576 1.987 1.00 0.00 C ATOM 1551 CG GLU A 98 -5.603 9.237 0.957 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.855 10.021 -0.127 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -4.288 9.384 -1.034 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -4.835 11.273 -0.081 1.00 0.00 O ATOM 0 H GLU A 98 -3.518 8.231 4.439 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.113 10.072 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.016 7.874 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.268 7.991 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.212 8.467 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.286 9.909 1.477 1.00 0.00 H new ATOM 1561 N THR A 99 -5.012 11.589 2.961 1.00 0.00 N ATOM 1562 CA THR A 99 -5.987 12.546 3.470 1.00 0.00 C ATOM 1563 C THR A 99 -6.883 12.964 2.301 1.00 0.00 C ATOM 1564 O THR A 99 -6.452 13.757 1.463 1.00 0.00 O ATOM 1565 CB THR A 99 -5.289 13.804 4.100 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.254 13.386 5.004 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.287 14.699 4.862 1.00 0.00 C ATOM 0 H THR A 99 -4.651 11.835 2.039 1.00 0.00 H new ATOM 0 HA THR A 99 -6.575 12.081 4.262 1.00 0.00 H new ATOM 0 HB THR A 99 -4.868 14.385 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.821 14.175 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.760 15.557 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.060 15.047 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.747 14.127 5.668 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.094 12.375 2.192 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.075 12.803 1.177 1.00 0.00 C ATOM 1577 C VAL A 100 -9.822 14.039 1.712 1.00 0.00 C ATOM 1578 O VAL A 100 -10.097 14.133 2.925 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.103 11.667 0.761 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.396 10.307 0.569 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.286 11.532 1.738 1.00 0.00 C ATOM 0 H VAL A 100 -8.411 11.611 2.788 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.525 13.042 0.267 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.521 11.980 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.130 9.553 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.644 10.395 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.915 10.012 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.951 10.739 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.911 11.288 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.834 12.473 1.778 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.112 15.002 0.828 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.813 16.245 1.206 1.00 0.00 C ATOM 1593 C ILE A 101 -12.157 16.359 0.475 1.00 0.00 C ATOM 1594 O ILE A 101 -12.203 16.533 -0.745 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.910 17.519 0.955 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.687 17.516 1.940 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.711 18.842 1.071 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.063 17.504 3.425 1.00 0.00 C ATOM 0 H ILE A 101 -9.872 14.947 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.017 16.200 2.276 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.543 17.465 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.069 16.643 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.075 18.396 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.046 19.687 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.513 18.847 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.137 18.923 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.156 17.503 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.653 18.390 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.647 16.611 3.645 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.239 16.225 1.252 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.595 16.475 0.802 1.00 0.00 C ATOM 1612 C TYR A 102 -14.837 17.982 0.815 1.00 0.00 C ATOM 1613 O TYR A 102 -15.019 18.583 1.877 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.629 15.767 1.717 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.511 14.242 1.756 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.101 13.451 0.769 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.814 13.587 2.776 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.000 12.077 0.800 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.715 12.211 2.806 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.308 11.464 1.814 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.209 10.099 1.840 1.00 0.00 O ATOM 0 H TYR A 102 -13.185 15.934 2.228 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.717 16.077 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.520 16.152 2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.632 16.032 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.647 13.924 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.344 14.169 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.465 11.483 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.175 11.723 3.604 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.700 9.823 2.631 1.00 0.00 H new ATOM 1631 N SER A 103 -14.837 18.586 -0.361 1.00 0.00 N ATOM 1632 CA SER A 103 -15.160 20.007 -0.523 1.00 0.00 C ATOM 1633 C SER A 103 -16.615 20.101 -0.964 1.00 0.00 C ATOM 1634 O SER A 103 -17.230 19.063 -1.214 1.00 0.00 O ATOM 1635 CB SER A 103 -14.219 20.639 -1.564 1.00 0.00 C ATOM 1636 OG SER A 103 -12.864 20.361 -1.249 1.00 0.00 O ATOM 0 H SER A 103 -14.614 18.111 -1.236 1.00 0.00 H new ATOM 0 HA SER A 103 -15.025 20.550 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.454 20.253 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.376 21.717 -1.597 1.00 0.00 H new ATOM 0 HG SER A 103 -12.346 21.193 -1.270 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.165 21.319 -1.054 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.529 21.532 -1.575 1.00 0.00 C ATOM 1644 C ALA A 104 -18.660 20.892 -2.960 1.00 0.00 C ATOM 1645 O ALA A 104 -17.668 20.825 -3.707 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.854 23.029 -1.608 1.00 0.00 C ATOM 0 H ALA A 104 -16.688 22.176 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.252 21.054 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.863 23.174 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.789 23.438 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.141 23.542 -2.254 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.859 20.377 -3.276 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.081 19.593 -4.501 1.00 0.00 C ATOM 1654 C ASN A 105 -19.833 20.444 -5.752 1.00 0.00 C ATOM 1655 O ASN A 105 -20.042 21.663 -5.748 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.514 18.993 -4.560 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.616 17.787 -5.497 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -21.856 17.933 -6.691 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -21.410 16.595 -4.969 1.00 0.00 N ATOM 0 H ASN A 105 -20.692 20.490 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.367 18.770 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.819 18.694 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -22.212 19.763 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.448 15.763 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.213 16.506 -3.972 1.00 0.00 H new ATOM 1666 N THR A 106 -19.436 19.754 -6.818 1.00 0.00 N ATOM 1667 CA THR A 106 -19.203 20.318 -8.155 1.00 0.00 C ATOM 1668 C THR A 106 -20.471 21.017 -8.742 1.00 0.00 C ATOM 1669 O THR A 106 -20.389 21.699 -9.770 1.00 0.00 O ATOM 1670 CB THR A 106 -18.718 19.164 -9.095 1.00 0.00 C ATOM 1671 OG1 THR A 106 -18.477 19.640 -10.424 1.00 0.00 O ATOM 1672 CG2 THR A 106 -19.738 18.009 -9.131 1.00 0.00 C ATOM 0 H THR A 106 -19.260 18.750 -6.779 1.00 0.00 H new ATOM 0 HA THR A 106 -18.442 21.094 -8.078 1.00 0.00 H new ATOM 0 HB THR A 106 -17.780 18.790 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 106 -19.036 20.426 -10.596 1.00 0.00 H new ATOM 0 HG21 THR A 106 -19.374 17.222 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 106 -19.868 17.607 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 106 -20.694 18.379 -9.500 1.00 0.00 H new ATOM 1680 N ILE A 107 -21.635 20.817 -8.086 1.00 0.00 N ATOM 1681 CA ILE A 107 -22.864 21.590 -8.339 1.00 0.00 C ATOM 1682 C ILE A 107 -22.601 23.100 -8.127 1.00 0.00 C ATOM 1683 O ILE A 107 -22.873 23.914 -9.020 1.00 0.00 O ATOM 1684 CB ILE A 107 -24.030 21.101 -7.393 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -24.377 19.603 -7.672 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -25.291 22.001 -7.528 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -25.251 18.951 -6.619 1.00 0.00 C ATOM 0 H ILE A 107 -21.746 20.108 -7.361 1.00 0.00 H new ATOM 0 HA ILE A 107 -23.167 21.428 -9.374 1.00 0.00 H new ATOM 0 HB ILE A 107 -23.679 21.184 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -24.880 19.534 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -23.449 19.038 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -26.073 21.634 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -25.037 23.026 -7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -25.649 21.974 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -25.440 17.914 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -24.744 18.983 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -26.198 19.487 -6.549 1.00 0.00 H new ATOM 1699 N THR A 108 -22.053 23.454 -6.946 1.00 0.00 N ATOM 1700 CA THR A 108 -21.776 24.854 -6.580 1.00 0.00 C ATOM 1701 C THR A 108 -20.293 25.224 -6.835 1.00 0.00 C ATOM 1702 O THR A 108 -19.886 26.377 -6.616 1.00 0.00 O ATOM 1703 CB THR A 108 -22.160 25.112 -5.083 1.00 0.00 C ATOM 1704 OG1 THR A 108 -22.086 26.518 -4.775 1.00 0.00 O ATOM 1705 CG2 THR A 108 -21.272 24.327 -4.101 1.00 0.00 C ATOM 0 H THR A 108 -21.792 22.781 -6.225 1.00 0.00 H new ATOM 0 HA THR A 108 -22.389 25.494 -7.215 1.00 0.00 H new ATOM 0 HB THR A 108 -23.184 24.759 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 108 -21.445 26.951 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 108 -21.581 24.543 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 108 -21.373 23.259 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.232 24.623 -4.235 1.00 0.00 H new ATOM 1713 N GLN A 109 -19.490 24.242 -7.292 1.00 0.00 N ATOM 1714 CA GLN A 109 -18.041 24.422 -7.518 1.00 0.00 C ATOM 1715 C GLN A 109 -17.680 24.270 -8.996 1.00 0.00 C ATOM 1716 O GLN A 109 -18.223 23.413 -9.686 1.00 0.00 O ATOM 1717 CB GLN A 109 -17.237 23.392 -6.676 1.00 0.00 C ATOM 1718 CG GLN A 109 -17.414 23.562 -5.159 1.00 0.00 C ATOM 1719 CD GLN A 109 -17.002 24.934 -4.622 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -17.587 25.440 -3.665 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -15.968 25.530 -5.205 1.00 0.00 N ATOM 0 H GLN A 109 -19.826 23.305 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 109 -17.781 25.434 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -17.545 22.385 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -16.179 23.482 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -18.459 23.386 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -16.829 22.796 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -15.503 25.086 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.639 26.432 -4.861 1.00 0.00 H new ATOM 1730 N ASN A 110 -16.747 25.112 -9.457 1.00 0.00 N ATOM 1731 CA ASN A 110 -16.098 24.967 -10.769 1.00 0.00 C ATOM 1732 C ASN A 110 -15.065 23.823 -10.706 1.00 0.00 C ATOM 1733 O ASN A 110 -14.570 23.490 -9.612 1.00 0.00 O ATOM 1734 CB ASN A 110 -15.457 26.325 -11.235 1.00 0.00 C ATOM 1735 CG ASN A 110 -14.627 27.107 -10.185 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -14.506 28.329 -10.272 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -14.081 26.449 -9.175 1.00 0.00 N ATOM 0 H ASN A 110 -16.418 25.919 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 110 -16.846 24.707 -11.518 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -14.814 26.120 -12.091 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -16.258 26.975 -11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.556 26.954 -8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.186 25.436 -9.110 1.00 0.00 H new ATOM 1744 N LYS A 111 -14.765 23.216 -11.869 1.00 0.00 N ATOM 1745 CA LYS A 111 -13.817 22.091 -11.974 1.00 0.00 C ATOM 1746 C LYS A 111 -12.385 22.542 -11.642 1.00 0.00 C ATOM 1747 O LYS A 111 -11.641 23.018 -12.507 1.00 0.00 O ATOM 1748 CB LYS A 111 -13.874 21.432 -13.373 1.00 0.00 C ATOM 1749 CG LYS A 111 -15.233 20.799 -13.737 1.00 0.00 C ATOM 1750 CD LYS A 111 -15.616 19.621 -12.808 1.00 0.00 C ATOM 1751 CE LYS A 111 -16.911 18.918 -13.251 1.00 0.00 C ATOM 1752 NZ LYS A 111 -17.313 17.844 -12.305 1.00 0.00 N ATOM 0 H LYS A 111 -15.173 23.491 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.116 21.342 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.627 22.183 -14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -13.104 20.662 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -16.009 21.563 -13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -15.200 20.446 -14.768 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -14.801 18.897 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -15.737 19.990 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -17.713 19.652 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -16.771 18.492 -14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -17.962 17.186 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -16.468 17.327 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -17.790 18.266 -11.483 1.00 0.00 H new ATOM 1766 N LYS A 112 -12.048 22.421 -10.360 1.00 0.00 N ATOM 1767 CA LYS A 112 -10.716 22.747 -9.820 1.00 0.00 C ATOM 1768 C LYS A 112 -9.691 21.691 -10.261 1.00 0.00 C ATOM 1769 O LYS A 112 -8.502 21.978 -10.431 1.00 0.00 O ATOM 1770 CB LYS A 112 -10.772 22.822 -8.277 1.00 0.00 C ATOM 1771 CG LYS A 112 -11.375 21.570 -7.598 1.00 0.00 C ATOM 1772 CD LYS A 112 -11.375 21.686 -6.066 1.00 0.00 C ATOM 1773 CE LYS A 112 -11.988 20.468 -5.371 1.00 0.00 C ATOM 1774 NZ LYS A 112 -11.987 20.646 -3.894 1.00 0.00 N ATOM 0 H LYS A 112 -12.699 22.088 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.408 23.718 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.762 22.976 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.358 23.695 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.396 21.424 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.807 20.688 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.351 21.818 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.928 22.579 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.009 20.318 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.425 19.572 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.497 19.857 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.007 20.664 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -12.456 21.542 -3.652 1.00 0.00 H new ATOM 1788 N ASP A 113 -10.181 20.454 -10.385 1.00 0.00 N ATOM 1789 CA ASP A 113 -9.445 19.330 -10.955 1.00 0.00 C ATOM 1790 C ASP A 113 -10.089 18.955 -12.296 1.00 0.00 C ATOM 1791 O ASP A 113 -11.303 18.697 -12.384 1.00 0.00 O ATOM 1792 CB ASP A 113 -9.440 18.139 -9.977 1.00 0.00 C ATOM 1793 CG ASP A 113 -8.668 16.918 -10.503 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -7.412 16.933 -10.497 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -9.313 15.954 -10.963 1.00 0.00 O ATOM 0 H ASP A 113 -11.123 20.204 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.405 19.609 -11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.001 18.457 -9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -10.469 17.846 -9.768 1.00 0.00 H new ATOM 1800 N GLY A 114 -9.256 18.960 -13.322 1.00 0.00 N ATOM 1801 CA GLY A 114 -9.657 18.680 -14.694 1.00 0.00 C ATOM 1802 C GLY A 114 -8.438 18.609 -15.595 1.00 0.00 C ATOM 1803 O GLY A 114 -8.464 19.045 -16.746 1.00 0.00 O ATOM 0 H GLY A 114 -8.261 19.163 -13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.203 17.738 -14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.334 19.457 -15.048 1.00 0.00 H new ATOM 1807 N LEU A 115 -7.350 18.057 -15.028 1.00 0.00 N ATOM 1808 CA LEU A 115 -6.049 17.889 -15.698 1.00 0.00 C ATOM 1809 C LEU A 115 -5.957 16.520 -16.376 1.00 0.00 C ATOM 1810 O LEU A 115 -4.918 16.190 -16.952 1.00 0.00 O ATOM 1811 CB LEU A 115 -4.929 18.031 -14.634 1.00 0.00 C ATOM 1812 CG LEU A 115 -4.934 19.367 -13.828 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -3.905 19.320 -12.687 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -4.697 20.585 -14.755 1.00 0.00 C ATOM 0 H LEU A 115 -7.352 17.708 -14.070 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.937 18.651 -16.470 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.013 17.202 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.964 17.931 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.921 19.487 -13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.926 20.262 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.149 18.501 -12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.909 19.164 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.706 21.500 -14.163 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.731 20.483 -15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.486 20.630 -15.505 1.00 0.00 H new ATOM 1826 N GLU A 116 -7.055 15.735 -16.257 1.00 0.00 N ATOM 1827 CA GLU A 116 -7.182 14.362 -16.765 1.00 0.00 C ATOM 1828 C GLU A 116 -6.226 13.434 -15.989 1.00 0.00 C ATOM 1829 O GLU A 116 -5.014 13.443 -16.245 1.00 0.00 O ATOM 1830 CB GLU A 116 -6.946 14.280 -18.309 1.00 0.00 C ATOM 1831 CG GLU A 116 -7.066 12.858 -18.900 1.00 0.00 C ATOM 1832 CD GLU A 116 -6.775 12.813 -20.413 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -5.612 13.045 -20.805 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -7.701 12.556 -21.212 1.00 0.00 O ATOM 0 H GLU A 116 -7.901 16.058 -15.788 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.206 14.027 -16.600 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.665 14.929 -18.809 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.953 14.671 -18.533 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.374 12.195 -18.382 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.071 12.477 -18.716 1.00 0.00 H new ATOM 1841 N HIS A 117 -6.792 12.666 -15.024 1.00 0.00 N ATOM 1842 CA HIS A 117 -6.038 11.769 -14.118 1.00 0.00 C ATOM 1843 C HIS A 117 -5.142 10.800 -14.912 1.00 0.00 C ATOM 1844 O HIS A 117 -5.634 9.870 -15.562 1.00 0.00 O ATOM 1845 CB HIS A 117 -7.000 10.976 -13.184 1.00 0.00 C ATOM 1846 CG HIS A 117 -7.663 11.817 -12.132 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -7.216 11.869 -10.828 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -8.738 12.631 -12.185 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -7.981 12.675 -10.136 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -8.911 13.152 -10.931 1.00 0.00 N ATOM 0 H HIS A 117 -7.797 12.654 -14.853 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.397 12.395 -13.497 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.769 10.500 -13.792 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.440 10.178 -12.697 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.347 12.833 -13.053 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -7.867 12.908 -9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.645 13.806 -10.658 1.00 0.00 H new ATOM 1859 N HIS A 118 -3.828 11.068 -14.861 1.00 0.00 N ATOM 1860 CA HIS A 118 -2.813 10.310 -15.607 1.00 0.00 C ATOM 1861 C HIS A 118 -2.610 8.925 -14.978 1.00 0.00 C ATOM 1862 O HIS A 118 -2.146 8.805 -13.836 1.00 0.00 O ATOM 1863 CB HIS A 118 -1.482 11.106 -15.657 1.00 0.00 C ATOM 1864 CG HIS A 118 -1.578 12.393 -16.435 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -1.164 13.617 -15.952 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -2.052 12.634 -17.678 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -1.382 14.544 -16.861 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -1.920 13.973 -17.915 1.00 0.00 N ATOM 0 H HIS A 118 -3.438 11.823 -14.297 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.159 10.164 -16.630 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.164 11.330 -14.639 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.710 10.479 -16.102 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.460 11.902 -18.359 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.157 15.595 -16.758 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.195 14.452 -18.772 1.00 0.00 H new ATOM 1877 N HIS A 119 -2.996 7.889 -15.728 1.00 0.00 N ATOM 1878 CA HIS A 119 -2.869 6.482 -15.316 1.00 0.00 C ATOM 1879 C HIS A 119 -2.011 5.713 -16.329 1.00 0.00 C ATOM 1880 O HIS A 119 -1.617 6.256 -17.369 1.00 0.00 O ATOM 1881 CB HIS A 119 -4.269 5.837 -15.158 1.00 0.00 C ATOM 1882 CG HIS A 119 -5.093 5.793 -16.419 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -5.144 4.697 -17.251 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -5.921 6.710 -16.974 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -5.959 4.942 -18.251 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -6.446 6.153 -18.112 1.00 0.00 N ATOM 0 H HIS A 119 -3.412 8.002 -16.652 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.371 6.437 -14.347 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.145 4.820 -14.787 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -4.823 6.388 -14.398 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.628 3.828 -17.112 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.129 7.698 -16.591 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.191 4.260 -19.055 1.00 0.00 H new ATOM 1895 N HIS A 120 -1.713 4.450 -16.001 1.00 0.00 N ATOM 1896 CA HIS A 120 -0.876 3.577 -16.841 1.00 0.00 C ATOM 1897 C HIS A 120 -1.695 3.057 -18.026 1.00 0.00 C ATOM 1898 O HIS A 120 -2.780 2.516 -17.835 1.00 0.00 O ATOM 1899 CB HIS A 120 -0.297 2.389 -16.016 1.00 0.00 C ATOM 1900 CG HIS A 120 0.749 2.790 -15.004 1.00 0.00 C ATOM 1901 ND1 HIS A 120 1.848 2.013 -14.703 1.00 0.00 N ATOM 1902 CD2 HIS A 120 0.848 3.884 -14.209 1.00 0.00 C ATOM 1903 CE1 HIS A 120 2.574 2.620 -13.786 1.00 0.00 C ATOM 1904 NE2 HIS A 120 1.989 3.751 -13.474 1.00 0.00 N ATOM 0 H HIS A 120 -2.044 4.002 -15.146 1.00 0.00 H new ATOM 0 HA HIS A 120 -0.036 4.162 -17.216 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -1.115 1.889 -15.498 1.00 0.00 H new ATOM 0 HB3 HIS A 120 0.137 1.662 -16.702 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.152 4.708 -14.166 1.00 0.00 H new ATOM 0 HE1 HIS A 120 3.496 2.248 -13.363 1.00 0.00 H new ATOM 0 HE2 HIS A 120 2.333 4.425 -12.790 1.00 0.00 H new ATOM 1913 N HIS A 121 -1.186 3.284 -19.241 1.00 0.00 N ATOM 1914 CA HIS A 121 -1.749 2.729 -20.481 1.00 0.00 C ATOM 1915 C HIS A 121 -1.238 1.297 -20.678 1.00 0.00 C ATOM 1916 O HIS A 121 -2.000 0.411 -21.071 1.00 0.00 O ATOM 1917 CB HIS A 121 -1.330 3.614 -21.683 1.00 0.00 C ATOM 1918 CG HIS A 121 -1.830 3.137 -23.021 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -1.047 2.438 -23.912 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -3.028 3.300 -23.631 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -1.735 2.197 -25.004 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -2.938 2.705 -24.861 1.00 0.00 N ATOM 0 H HIS A 121 -0.362 3.865 -19.395 1.00 0.00 H new ATOM 0 HA HIS A 121 -2.837 2.713 -20.414 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.694 4.627 -21.515 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.242 3.668 -21.715 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -3.892 3.804 -23.224 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -1.373 1.670 -25.874 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -3.685 2.663 -25.555 1.00 0.00 H new ATOM 1931 N HIS A 122 0.067 1.119 -20.373 1.00 0.00 N ATOM 1932 CA HIS A 122 0.843 -0.102 -20.648 1.00 0.00 C ATOM 1933 C HIS A 122 0.955 -0.325 -22.178 1.00 0.00 C ATOM 1934 O HIS A 122 0.037 -0.930 -22.776 1.00 0.00 O ATOM 1935 CB HIS A 122 0.254 -1.347 -19.911 1.00 0.00 C ATOM 1936 CG HIS A 122 1.042 -2.615 -20.127 1.00 0.00 C ATOM 1937 ND1 HIS A 122 0.721 -3.548 -21.087 1.00 0.00 N ATOM 1938 CD2 HIS A 122 2.147 -3.091 -19.506 1.00 0.00 C ATOM 1939 CE1 HIS A 122 1.585 -4.540 -21.043 1.00 0.00 C ATOM 1940 NE2 HIS A 122 2.462 -4.289 -20.095 1.00 0.00 N ATOM 1941 OXT HIS A 122 1.920 0.167 -22.789 1.00 0.00 O ATOM 0 H HIS A 122 0.621 1.843 -19.916 1.00 0.00 H new ATOM 0 HA HIS A 122 1.849 0.033 -20.251 1.00 0.00 H new ATOM 0 HB2 HIS A 122 0.209 -1.137 -18.842 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -0.770 -1.506 -20.248 1.00 0.00 H new ATOM 0 HD2 HIS A 122 2.681 -2.616 -18.697 1.00 0.00 H new ATOM 0 HE1 HIS A 122 1.576 -5.413 -21.678 1.00 0.00 H new ATOM 0 HE2 HIS A 122 3.248 -4.887 -19.840 1.00 0.00 H new TER 1950 HIS A 122