USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1092 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 119 MET CE :methyl -128:sc= -1.6 (180deg=-5.99!) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.582 K(o=-1,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0729 K(o=-0.073,f=-1.7!) USER MOD Single : A 4 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.018) USER MOD Single : A 7 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-1) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 142:sc= -1.68 (180deg=-5.65!) USER MOD Single : A 13 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1.8!) USER MOD Single : A 20 GLN : amide:sc=-0.000572 X(o=-0.00057,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0712 K(o=-0.071,f=1.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00436 X(o=-0.0044,f=0.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -75:sc= 0.00832 USER MOD Single : A 52 GLN : amide:sc= -0.684 K(o=-0.68,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.932) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 35:sc= -0.591 USER MOD Single : A 60 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.19) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -6.94! C(o=-6.9!,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= -0.958 K(o=-0.96,f=-2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= 0.0134 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 83 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.3) USER MOD Single : A 88 GLN : amide:sc= -0.0725 K(o=-0.073,f=-0.71) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-1.5) USER MOD Single : A 93 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 96 SER OG : rot 71:sc= 0.832 USER MOD Single : A 99 SER OG : rot -61:sc= 0.188 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -3.34! C(o=-3.3!,f=-2.6!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -2.26! K(o=-2.3!,f=-0.87) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.0305 USER MOD Single : A 128 THR OG1 : rot 27:sc= -0.364! USER MOD Single : A 129 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.34) USER MOD Single : A 131 SER OG : rot 43:sc= 0.25 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.925 14.400 20.833 1.00 0.00 N ATOM 2 CA MET A 1 -5.067 13.322 20.371 1.00 0.00 C ATOM 3 C MET A 1 -4.573 12.474 21.545 1.00 0.00 C ATOM 4 O MET A 1 -3.463 12.673 22.036 1.00 0.00 O ATOM 5 CB MET A 1 -3.867 13.908 19.625 1.00 0.00 C ATOM 6 CG MET A 1 -4.047 13.779 18.111 1.00 0.00 C ATOM 7 SD MET A 1 -2.982 14.937 17.268 1.00 0.00 S ATOM 8 CE MET A 1 -4.075 15.471 15.962 1.00 0.00 C ATOM 0 H1 MET A 1 -6.247 14.961 20.018 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.749 14.001 21.326 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.394 15.011 21.486 1.00 0.00 H new ATOM 0 HA MET A 1 -5.645 12.684 19.703 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.745 14.958 19.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.957 13.393 19.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.815 12.762 17.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.087 13.967 17.843 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.564 16.202 15.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.364 14.613 15.355 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.966 15.925 16.396 1.00 0.00 H new ATOM 18 N GLN A 2 -5.421 11.545 21.960 1.00 0.00 N ATOM 19 CA GLN A 2 -5.085 10.665 23.067 1.00 0.00 C ATOM 20 C GLN A 2 -6.124 9.549 23.192 1.00 0.00 C ATOM 21 O GLN A 2 -6.592 9.252 24.291 1.00 0.00 O ATOM 22 CB GLN A 2 -4.963 11.450 24.374 1.00 0.00 C ATOM 23 CG GLN A 2 -6.153 12.394 24.560 1.00 0.00 C ATOM 24 CD GLN A 2 -5.840 13.475 25.596 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.697 13.729 25.939 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.915 14.094 26.075 1.00 0.00 N ATOM 0 H GLN A 2 -6.341 11.382 21.550 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.115 10.211 22.863 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.909 10.758 25.214 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.036 12.023 24.373 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.404 12.860 23.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.027 11.825 24.876 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.844 13.832 25.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.811 14.831 26.773 1.00 0.00 H new ATOM 35 N GLY A 3 -6.455 8.961 22.052 1.00 0.00 N ATOM 36 CA GLY A 3 -7.430 7.884 22.021 1.00 0.00 C ATOM 37 C GLY A 3 -7.897 7.609 20.590 1.00 0.00 C ATOM 38 O GLY A 3 -7.179 6.986 19.808 1.00 0.00 O ATOM 0 H GLY A 3 -6.065 9.210 21.143 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.992 6.980 22.445 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.286 8.145 22.643 1.00 0.00 H new ATOM 42 N GLN A 4 -9.096 8.086 20.290 1.00 0.00 N ATOM 43 CA GLN A 4 -9.666 7.899 18.967 1.00 0.00 C ATOM 44 C GLN A 4 -8.852 8.667 17.924 1.00 0.00 C ATOM 45 O GLN A 4 -8.376 9.769 18.191 1.00 0.00 O ATOM 46 CB GLN A 4 -11.135 8.325 18.938 1.00 0.00 C ATOM 47 CG GLN A 4 -11.299 9.762 19.439 1.00 0.00 C ATOM 48 CD GLN A 4 -12.507 10.436 18.785 1.00 0.00 C ATOM 49 OE1 GLN A 4 -13.453 10.843 19.440 1.00 0.00 O ATOM 50 NE2 GLN A 4 -12.424 10.530 17.461 1.00 0.00 N ATOM 0 H GLN A 4 -9.688 8.602 20.941 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.624 6.838 18.722 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.521 8.244 17.922 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.725 7.650 19.558 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.420 9.762 20.522 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.397 10.333 19.220 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.604 10.169 16.975 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.181 10.963 16.932 1.00 0.00 H new ATOM 59 N ASP A 5 -8.716 8.054 16.757 1.00 0.00 N ATOM 60 CA ASP A 5 -7.967 8.666 15.673 1.00 0.00 C ATOM 61 C ASP A 5 -8.234 7.897 14.377 1.00 0.00 C ATOM 62 O ASP A 5 -7.424 7.068 13.966 1.00 0.00 O ATOM 63 CB ASP A 5 -6.463 8.621 15.948 1.00 0.00 C ATOM 64 CG ASP A 5 -5.971 9.602 17.014 1.00 0.00 C ATOM 65 OD1 ASP A 5 -6.218 10.813 16.828 1.00 0.00 O ATOM 66 OD2 ASP A 5 -5.359 9.119 17.991 1.00 0.00 O ATOM 0 H ASP A 5 -9.112 7.140 16.539 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.287 9.705 15.587 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.195 7.610 16.255 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.933 8.823 15.017 1.00 0.00 H new ATOM 71 N ARG A 6 -9.372 8.200 13.770 1.00 0.00 N ATOM 72 CA ARG A 6 -9.755 7.548 12.530 1.00 0.00 C ATOM 73 C ARG A 6 -8.531 7.353 11.632 1.00 0.00 C ATOM 74 O ARG A 6 -8.270 6.246 11.165 1.00 0.00 O ATOM 75 CB ARG A 6 -10.805 8.369 11.778 1.00 0.00 C ATOM 76 CG ARG A 6 -12.220 7.971 12.204 1.00 0.00 C ATOM 77 CD ARG A 6 -13.216 8.181 11.062 1.00 0.00 C ATOM 78 NE ARG A 6 -14.598 7.986 11.554 1.00 0.00 N ATOM 79 CZ ARG A 6 -15.695 8.173 10.806 1.00 0.00 C ATOM 80 NH1 ARG A 6 -15.577 8.560 9.529 1.00 0.00 N ATOM 81 NH2 ARG A 6 -16.909 7.972 11.336 1.00 0.00 N ATOM 0 H ARG A 6 -10.041 8.889 14.114 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.182 6.578 12.784 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.648 9.430 11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.689 8.219 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.230 6.926 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.523 8.562 13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.105 9.185 10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.007 7.481 10.253 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.724 7.691 12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.653 8.712 9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.412 8.702 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.999 7.677 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.744 8.114 10.767 1.00 0.00 H new ATOM 95 N HIS A 7 -7.814 8.447 11.418 1.00 0.00 N ATOM 96 CA HIS A 7 -6.625 8.410 10.585 1.00 0.00 C ATOM 97 C HIS A 7 -5.745 7.229 10.998 1.00 0.00 C ATOM 98 O HIS A 7 -5.450 6.355 10.184 1.00 0.00 O ATOM 99 CB HIS A 7 -5.884 9.748 10.637 1.00 0.00 C ATOM 100 CG HIS A 7 -5.830 10.367 12.013 1.00 0.00 C ATOM 101 ND1 HIS A 7 -4.717 10.278 12.832 1.00 0.00 N ATOM 102 CD2 HIS A 7 -6.761 11.084 12.705 1.00 0.00 C ATOM 103 CE1 HIS A 7 -4.978 10.917 13.963 1.00 0.00 C ATOM 104 NE2 HIS A 7 -6.246 11.415 13.883 1.00 0.00 N ATOM 0 H HIS A 7 -8.034 9.364 11.807 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.911 8.259 9.544 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.866 9.602 10.275 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.368 10.446 9.954 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.750 11.339 12.354 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.305 11.025 14.801 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.720 11.953 14.609 1.00 0.00 H new ATOM 112 N MET A 8 -5.350 7.240 12.263 1.00 0.00 N ATOM 113 CA MET A 8 -4.510 6.180 12.794 1.00 0.00 C ATOM 114 C MET A 8 -4.999 4.807 12.327 1.00 0.00 C ATOM 115 O MET A 8 -4.281 4.094 11.628 1.00 0.00 O ATOM 116 CB MET A 8 -4.525 6.235 14.323 1.00 0.00 C ATOM 117 CG MET A 8 -3.560 5.207 14.917 1.00 0.00 C ATOM 118 SD MET A 8 -2.708 5.909 16.320 1.00 0.00 S ATOM 119 CE MET A 8 -1.184 6.412 15.537 1.00 0.00 C ATOM 0 H MET A 8 -5.596 7.966 12.935 1.00 0.00 H new ATOM 0 HA MET A 8 -3.495 6.327 12.426 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.248 7.235 14.657 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.534 6.045 14.688 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.108 4.316 15.223 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.839 4.894 14.162 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.530 6.874 16.277 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.689 5.540 15.110 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.401 7.130 14.746 1.00 0.00 H new ATOM 129 N ILE A 9 -6.216 4.479 12.733 1.00 0.00 N ATOM 130 CA ILE A 9 -6.809 3.204 12.365 1.00 0.00 C ATOM 131 C ILE A 9 -6.549 2.935 10.882 1.00 0.00 C ATOM 132 O ILE A 9 -6.057 1.867 10.518 1.00 0.00 O ATOM 133 CB ILE A 9 -8.291 3.173 12.745 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.474 3.355 14.253 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.961 1.895 12.236 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.186 4.673 14.564 1.00 0.00 C ATOM 0 H ILE A 9 -6.808 5.073 13.313 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.343 2.392 12.923 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.787 4.012 12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.050 2.522 14.656 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.502 3.338 14.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.013 1.898 12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.878 1.848 11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.470 1.027 12.675 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.303 4.777 15.643 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.595 5.505 14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.168 4.677 14.090 1.00 0.00 H new ATOM 148 N ARG A 10 -6.891 3.920 10.065 1.00 0.00 N ATOM 149 CA ARG A 10 -6.700 3.803 8.630 1.00 0.00 C ATOM 150 C ARG A 10 -5.346 3.159 8.325 1.00 0.00 C ATOM 151 O ARG A 10 -5.260 2.243 7.508 1.00 0.00 O ATOM 152 CB ARG A 10 -6.770 5.172 7.951 1.00 0.00 C ATOM 153 CG ARG A 10 -7.046 5.028 6.453 1.00 0.00 C ATOM 154 CD ARG A 10 -5.744 5.064 5.650 1.00 0.00 C ATOM 155 NE ARG A 10 -5.813 6.126 4.621 1.00 0.00 N ATOM 156 CZ ARG A 10 -5.663 7.433 4.879 1.00 0.00 C ATOM 157 NH1 ARG A 10 -5.435 7.846 6.133 1.00 0.00 N ATOM 158 NH2 ARG A 10 -5.742 8.325 3.883 1.00 0.00 N ATOM 0 H ARG A 10 -7.300 4.803 10.370 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.501 3.175 8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.555 5.771 8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.831 5.705 8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.568 4.090 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.704 5.831 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.901 5.246 6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.573 4.098 5.176 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.985 5.846 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.376 7.166 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.321 8.840 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.916 8.010 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.628 9.320 4.079 1.00 0.00 H new ATOM 172 N MET A 11 -4.322 3.663 8.997 1.00 0.00 N ATOM 173 CA MET A 11 -2.977 3.149 8.808 1.00 0.00 C ATOM 174 C MET A 11 -2.881 1.688 9.254 1.00 0.00 C ATOM 175 O MET A 11 -2.620 0.803 8.441 1.00 0.00 O ATOM 176 CB MET A 11 -1.989 3.995 9.614 1.00 0.00 C ATOM 177 CG MET A 11 -2.081 5.470 9.219 1.00 0.00 C ATOM 178 SD MET A 11 -0.967 6.441 10.221 1.00 0.00 S ATOM 179 CE MET A 11 -2.039 7.804 10.644 1.00 0.00 C ATOM 0 H MET A 11 -4.397 4.423 9.674 1.00 0.00 H new ATOM 0 HA MET A 11 -2.733 3.202 7.747 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.196 3.886 10.679 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.974 3.633 9.448 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.832 5.589 8.164 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.103 5.826 9.347 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.851 8.109 11.674 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.842 8.643 9.976 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.079 7.494 10.541 1.00 0.00 H new ATOM 189 N ARG A 12 -3.096 1.482 10.545 1.00 0.00 N ATOM 190 CA ARG A 12 -3.037 0.144 11.109 1.00 0.00 C ATOM 191 C ARG A 12 -3.878 -0.823 10.272 1.00 0.00 C ATOM 192 O ARG A 12 -3.482 -1.967 10.053 1.00 0.00 O ATOM 193 CB ARG A 12 -3.545 0.131 12.552 1.00 0.00 C ATOM 194 CG ARG A 12 -2.542 0.805 13.492 1.00 0.00 C ATOM 195 CD ARG A 12 -3.255 1.726 14.484 1.00 0.00 C ATOM 196 NE ARG A 12 -3.236 1.124 15.836 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.115 0.206 16.262 1.00 0.00 C ATOM 198 NH1 ARG A 12 -5.086 -0.221 15.444 1.00 0.00 N ATOM 199 NH2 ARG A 12 -4.021 -0.285 17.505 1.00 0.00 N ATOM 0 H ARG A 12 -3.311 2.219 11.217 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.994 -0.173 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.504 0.645 12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.715 -0.897 12.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.980 0.045 14.035 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.822 1.380 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.767 2.700 14.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.284 1.891 14.165 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.509 1.427 16.484 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.156 0.152 14.497 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.755 -0.920 15.768 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.281 0.040 18.127 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.690 -0.984 17.829 1.00 0.00 H new ATOM 213 N GLN A 13 -5.023 -0.327 9.826 1.00 0.00 N ATOM 214 CA GLN A 13 -5.923 -1.132 9.017 1.00 0.00 C ATOM 215 C GLN A 13 -5.251 -1.514 7.697 1.00 0.00 C ATOM 216 O GLN A 13 -5.285 -2.676 7.292 1.00 0.00 O ATOM 217 CB GLN A 13 -7.242 -0.398 8.770 1.00 0.00 C ATOM 218 CG GLN A 13 -8.201 -0.582 9.947 1.00 0.00 C ATOM 219 CD GLN A 13 -8.902 -1.941 9.877 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.953 -2.589 8.844 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.436 -2.334 11.029 1.00 0.00 N ATOM 0 H GLN A 13 -5.348 0.622 10.009 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.152 -2.047 9.563 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.048 0.664 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.705 -0.772 7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.651 -0.500 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.944 0.215 9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.357 -1.742 11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.925 -3.227 11.086 1.00 0.00 H new ATOM 230 N LEU A 14 -4.657 -0.515 7.061 1.00 0.00 N ATOM 231 CA LEU A 14 -3.979 -0.732 5.794 1.00 0.00 C ATOM 232 C LEU A 14 -2.962 -1.864 5.953 1.00 0.00 C ATOM 233 O LEU A 14 -2.944 -2.803 5.158 1.00 0.00 O ATOM 234 CB LEU A 14 -3.370 0.574 5.282 1.00 0.00 C ATOM 235 CG LEU A 14 -4.257 1.411 4.358 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.548 2.699 3.936 1.00 0.00 C ATOM 237 CD2 LEU A 14 -4.720 0.590 3.152 1.00 0.00 C ATOM 0 H LEU A 14 -4.631 0.447 7.399 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.690 -1.046 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.096 1.185 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.447 0.338 4.752 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.149 1.702 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.200 3.275 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.310 3.290 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.628 2.451 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.349 1.208 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.851 0.249 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.290 -0.273 3.496 1.00 0.00 H new ATOM 249 N ILE A 15 -2.139 -1.738 6.984 1.00 0.00 N ATOM 250 CA ILE A 15 -1.122 -2.739 7.257 1.00 0.00 C ATOM 251 C ILE A 15 -1.796 -4.085 7.527 1.00 0.00 C ATOM 252 O ILE A 15 -1.501 -5.076 6.860 1.00 0.00 O ATOM 253 CB ILE A 15 -0.203 -2.274 8.388 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.725 -1.153 7.915 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.575 -3.450 8.981 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.057 0.214 8.070 1.00 0.00 C ATOM 0 H ILE A 15 -2.156 -0.957 7.640 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.478 -2.874 6.388 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.823 -1.864 9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.651 -1.176 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.993 -1.314 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.221 -3.092 9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.124 -4.185 9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.184 -3.912 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.738 0.993 7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.856 0.242 7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.188 0.383 9.119 1.00 0.00 H new ATOM 268 N ASP A 16 -2.689 -4.078 8.506 1.00 0.00 N ATOM 269 CA ASP A 16 -3.408 -5.287 8.872 1.00 0.00 C ATOM 270 C ASP A 16 -3.999 -5.925 7.613 1.00 0.00 C ATOM 271 O ASP A 16 -3.916 -7.139 7.430 1.00 0.00 O ATOM 272 CB ASP A 16 -4.560 -4.974 9.828 1.00 0.00 C ATOM 273 CG ASP A 16 -4.586 -5.816 11.106 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.717 -7.051 10.969 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.474 -5.204 12.191 1.00 0.00 O ATOM 0 H ASP A 16 -2.931 -3.254 9.057 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.706 -5.962 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.506 -3.921 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.502 -5.116 9.298 1.00 0.00 H new ATOM 280 N ILE A 17 -4.582 -5.078 6.777 1.00 0.00 N ATOM 281 CA ILE A 17 -5.186 -5.544 5.540 1.00 0.00 C ATOM 282 C ILE A 17 -4.152 -6.337 4.739 1.00 0.00 C ATOM 283 O ILE A 17 -4.408 -7.471 4.339 1.00 0.00 O ATOM 284 CB ILE A 17 -5.796 -4.373 4.768 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.325 -4.420 4.817 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.270 -4.330 3.332 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.933 -3.174 4.172 1.00 0.00 C ATOM 0 H ILE A 17 -4.649 -4.072 6.932 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.013 -6.222 5.752 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.487 -3.447 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.682 -5.312 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.657 -4.497 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.719 -3.488 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.186 -4.213 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.529 -5.258 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.020 -3.233 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.594 -2.286 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.619 -3.114 3.130 1.00 0.00 H new ATOM 299 N VAL A 18 -3.004 -5.709 4.529 1.00 0.00 N ATOM 300 CA VAL A 18 -1.930 -6.341 3.783 1.00 0.00 C ATOM 301 C VAL A 18 -1.515 -7.632 4.491 1.00 0.00 C ATOM 302 O VAL A 18 -1.604 -8.716 3.917 1.00 0.00 O ATOM 303 CB VAL A 18 -0.771 -5.360 3.601 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.275 -5.920 2.635 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.277 -3.995 3.130 1.00 0.00 C ATOM 0 H VAL A 18 -2.795 -4.768 4.863 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.268 -6.612 2.783 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.292 -5.224 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.088 -5.203 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.669 -6.857 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.186 -6.100 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.433 -3.316 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.793 -4.107 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.967 -3.588 3.869 1.00 0.00 H new ATOM 315 N ASP A 19 -1.070 -7.474 5.729 1.00 0.00 N ATOM 316 CA ASP A 19 -0.640 -8.613 6.522 1.00 0.00 C ATOM 317 C ASP A 19 -1.699 -9.715 6.439 1.00 0.00 C ATOM 318 O ASP A 19 -1.367 -10.889 6.283 1.00 0.00 O ATOM 319 CB ASP A 19 -0.473 -8.229 7.993 1.00 0.00 C ATOM 320 CG ASP A 19 -0.307 -9.408 8.955 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.667 -10.167 8.759 1.00 0.00 O ATOM 322 OD2 ASP A 19 -1.157 -9.523 9.863 1.00 0.00 O ATOM 0 H ASP A 19 -0.998 -6.574 6.203 1.00 0.00 H new ATOM 0 HA ASP A 19 0.317 -8.956 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.396 -7.578 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.341 -7.647 8.302 1.00 0.00 H new ATOM 327 N GLN A 20 -2.952 -9.297 6.546 1.00 0.00 N ATOM 328 CA GLN A 20 -4.061 -10.234 6.484 1.00 0.00 C ATOM 329 C GLN A 20 -3.977 -11.073 5.208 1.00 0.00 C ATOM 330 O GLN A 20 -4.041 -12.300 5.262 1.00 0.00 O ATOM 331 CB GLN A 20 -5.401 -9.502 6.572 1.00 0.00 C ATOM 332 CG GLN A 20 -6.557 -10.493 6.731 1.00 0.00 C ATOM 333 CD GLN A 20 -6.776 -10.849 8.203 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.362 -10.101 8.969 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.274 -12.029 8.554 1.00 0.00 N ATOM 0 H GLN A 20 -3.224 -8.322 6.675 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.993 -10.905 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.389 -8.813 7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.552 -8.903 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.469 -10.062 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.346 -11.398 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.795 -12.606 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.368 -12.358 9.515 1.00 0.00 H new ATOM 344 N LEU A 21 -3.835 -10.378 4.089 1.00 0.00 N ATOM 345 CA LEU A 21 -3.741 -11.044 2.801 1.00 0.00 C ATOM 346 C LEU A 21 -2.452 -11.865 2.748 1.00 0.00 C ATOM 347 O LEU A 21 -2.452 -12.998 2.269 1.00 0.00 O ATOM 348 CB LEU A 21 -3.872 -10.029 1.663 1.00 0.00 C ATOM 349 CG LEU A 21 -3.318 -10.469 0.306 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.788 -10.516 0.327 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.926 -11.804 -0.128 1.00 0.00 C ATOM 0 H LEU A 21 -3.783 -9.360 4.048 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.568 -11.742 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.927 -9.784 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.364 -9.112 1.961 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.607 -9.726 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.420 -10.832 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.397 -9.526 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.456 -11.224 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.515 -12.094 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.688 -12.569 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.008 -11.702 -0.209 1.00 0.00 H new ATOM 363 N LYS A 22 -1.383 -11.262 3.248 1.00 0.00 N ATOM 364 CA LYS A 22 -0.089 -11.923 3.264 1.00 0.00 C ATOM 365 C LYS A 22 -0.215 -13.263 3.991 1.00 0.00 C ATOM 366 O LYS A 22 0.352 -14.265 3.557 1.00 0.00 O ATOM 367 CB LYS A 22 0.977 -11.000 3.857 1.00 0.00 C ATOM 368 CG LYS A 22 1.664 -10.181 2.761 1.00 0.00 C ATOM 369 CD LYS A 22 2.966 -9.563 3.274 1.00 0.00 C ATOM 370 CE LYS A 22 2.685 -8.464 4.300 1.00 0.00 C ATOM 371 NZ LYS A 22 3.500 -8.671 5.518 1.00 0.00 N ATOM 0 H LYS A 22 -1.387 -10.323 3.645 1.00 0.00 H new ATOM 0 HA LYS A 22 0.240 -12.140 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.519 -10.329 4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.719 -11.592 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.874 -10.819 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.994 -9.393 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.587 -10.337 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.530 -9.149 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.908 -7.489 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.626 -8.463 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.297 -7.916 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.267 -9.593 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.509 -8.649 5.268 1.00 0.00 H new ATOM 385 N ASN A 23 -0.962 -13.238 5.085 1.00 0.00 N ATOM 386 CA ASN A 23 -1.170 -14.439 5.877 1.00 0.00 C ATOM 387 C ASN A 23 -1.877 -15.492 5.022 1.00 0.00 C ATOM 388 O ASN A 23 -1.921 -16.666 5.387 1.00 0.00 O ATOM 389 CB ASN A 23 -2.050 -14.150 7.095 1.00 0.00 C ATOM 390 CG ASN A 23 -1.208 -13.662 8.276 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.953 -12.481 8.443 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.793 -14.634 9.083 1.00 0.00 N ATOM 0 H ASN A 23 -1.431 -12.405 5.442 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.196 -14.795 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.795 -13.397 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.592 -15.052 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.225 -14.411 9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.043 -15.603 8.885 1.00 0.00 H new ATOM 399 N TYR A 24 -2.413 -15.035 3.900 1.00 0.00 N ATOM 400 CA TYR A 24 -3.116 -15.923 2.990 1.00 0.00 C ATOM 401 C TYR A 24 -2.370 -16.048 1.659 1.00 0.00 C ATOM 402 O TYR A 24 -2.985 -16.265 0.617 1.00 0.00 O ATOM 403 CB TYR A 24 -4.479 -15.276 2.738 1.00 0.00 C ATOM 404 CG TYR A 24 -5.409 -15.291 3.953 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.738 -16.488 4.556 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.918 -14.107 4.446 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.613 -16.501 5.700 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.793 -14.120 5.590 1.00 0.00 C ATOM 409 CZ TYR A 24 -7.097 -15.317 6.160 1.00 0.00 C ATOM 410 OH TYR A 24 -7.923 -15.329 7.240 1.00 0.00 O ATOM 0 H TYR A 24 -2.375 -14.061 3.600 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.200 -16.922 3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.327 -14.244 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.968 -15.793 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.339 -17.415 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.660 -13.170 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.879 -17.431 6.181 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.198 -13.201 5.986 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.190 -14.412 7.458 1.00 0.00 H new ATOM 420 N VAL A 25 -1.055 -15.904 1.739 1.00 0.00 N ATOM 421 CA VAL A 25 -0.219 -15.998 0.554 1.00 0.00 C ATOM 422 C VAL A 25 -0.578 -17.268 -0.219 1.00 0.00 C ATOM 423 O VAL A 25 -0.464 -17.308 -1.443 1.00 0.00 O ATOM 424 CB VAL A 25 1.257 -15.935 0.950 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.097 -16.879 0.086 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.786 -14.502 0.869 1.00 0.00 C ATOM 0 H VAL A 25 -0.548 -15.723 2.606 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.400 -15.153 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 25 1.340 -16.265 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.142 -16.815 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.744 -17.902 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.004 -16.593 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.838 -14.486 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.682 -14.133 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.216 -13.865 1.545 1.00 0.00 H new ATOM 436 N ASN A 26 -1.004 -18.276 0.528 1.00 0.00 N ATOM 437 CA ASN A 26 -1.380 -19.545 -0.072 1.00 0.00 C ATOM 438 C ASN A 26 -2.422 -19.299 -1.165 1.00 0.00 C ATOM 439 O ASN A 26 -2.621 -20.141 -2.039 1.00 0.00 O ATOM 440 CB ASN A 26 -1.998 -20.484 0.966 1.00 0.00 C ATOM 441 CG ASN A 26 -1.698 -21.946 0.631 1.00 0.00 C ATOM 442 OD1 ASN A 26 -2.190 -22.501 -0.338 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.865 -22.537 1.483 1.00 0.00 N ATOM 0 H ASN A 26 -1.097 -18.240 1.543 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.480 -20.003 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.607 -20.246 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.076 -20.330 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.602 -23.513 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.489 -22.014 2.274 1.00 0.00 H new ATOM 450 N ASP A 27 -3.059 -18.140 -1.081 1.00 0.00 N ATOM 451 CA ASP A 27 -4.075 -17.772 -2.052 1.00 0.00 C ATOM 452 C ASP A 27 -3.650 -16.487 -2.766 1.00 0.00 C ATOM 453 O ASP A 27 -4.453 -15.571 -2.933 1.00 0.00 O ATOM 454 CB ASP A 27 -5.420 -17.511 -1.371 1.00 0.00 C ATOM 455 CG ASP A 27 -6.186 -18.767 -0.951 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.612 -19.543 -0.157 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.329 -18.923 -1.433 1.00 0.00 O ATOM 0 H ASP A 27 -2.891 -17.443 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.182 -18.597 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.250 -16.895 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.047 -16.931 -2.048 1.00 0.00 H new ATOM 462 N LEU A 28 -2.388 -16.462 -3.170 1.00 0.00 N ATOM 463 CA LEU A 28 -1.847 -15.305 -3.862 1.00 0.00 C ATOM 464 C LEU A 28 -1.323 -15.736 -5.234 1.00 0.00 C ATOM 465 O LEU A 28 -0.384 -16.525 -5.323 1.00 0.00 O ATOM 466 CB LEU A 28 -0.799 -14.604 -2.996 1.00 0.00 C ATOM 467 CG LEU A 28 -1.311 -13.464 -2.114 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.150 -12.703 -1.471 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.239 -12.536 -2.901 1.00 0.00 C ATOM 0 H LEU A 28 -1.725 -17.225 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.629 -14.566 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.329 -15.350 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.021 -14.210 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.899 -13.897 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.542 -11.898 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.435 -13.385 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.486 -12.283 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.589 -11.734 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.696 -12.109 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.094 -13.103 -3.270 1.00 0.00 H new ATOM 481 N VAL A 29 -1.953 -15.198 -6.268 1.00 0.00 N ATOM 482 CA VAL A 29 -1.562 -15.517 -7.630 1.00 0.00 C ATOM 483 C VAL A 29 -0.347 -14.672 -8.019 1.00 0.00 C ATOM 484 O VAL A 29 -0.392 -13.445 -7.948 1.00 0.00 O ATOM 485 CB VAL A 29 -2.751 -15.326 -8.574 1.00 0.00 C ATOM 486 CG1 VAL A 29 -3.035 -13.840 -8.803 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.519 -16.050 -9.902 1.00 0.00 C ATOM 0 H VAL A 29 -2.731 -14.543 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.268 -16.564 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.629 -15.767 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.884 -13.732 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.265 -13.362 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.158 -13.366 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.379 -15.898 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.625 -15.652 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.388 -17.116 -9.717 1.00 0.00 H new ATOM 497 N PRO A 30 0.738 -15.380 -8.433 1.00 0.00 N ATOM 498 CA PRO A 30 1.962 -14.708 -8.833 1.00 0.00 C ATOM 499 C PRO A 30 1.810 -14.069 -10.214 1.00 0.00 C ATOM 500 O PRO A 30 1.679 -14.770 -11.216 1.00 0.00 O ATOM 501 CB PRO A 30 3.033 -15.786 -8.792 1.00 0.00 C ATOM 502 CG PRO A 30 2.292 -17.112 -8.823 1.00 0.00 C ATOM 503 CD PRO A 30 0.827 -16.834 -8.530 1.00 0.00 C ATOM 0 HA PRO A 30 2.223 -13.880 -8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.709 -15.697 -9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.640 -15.699 -7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.403 -17.588 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.706 -17.798 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.185 -17.218 -9.323 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.511 -17.313 -7.603 1.00 0.00 H new ATOM 511 N GLU A 31 1.833 -12.744 -10.223 1.00 0.00 N ATOM 512 CA GLU A 31 1.700 -12.001 -11.465 1.00 0.00 C ATOM 513 C GLU A 31 2.609 -10.771 -11.449 1.00 0.00 C ATOM 514 O GLU A 31 3.059 -10.342 -10.387 1.00 0.00 O ATOM 515 CB GLU A 31 0.243 -11.604 -11.713 1.00 0.00 C ATOM 516 CG GLU A 31 -0.595 -12.817 -12.121 1.00 0.00 C ATOM 517 CD GLU A 31 -0.605 -12.990 -13.641 1.00 0.00 C ATOM 518 OE1 GLU A 31 0.488 -13.248 -14.190 1.00 0.00 O ATOM 519 OE2 GLU A 31 -1.706 -12.860 -14.219 1.00 0.00 O ATOM 0 H GLU A 31 1.942 -12.166 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 31 2.011 -12.646 -12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.174 -11.156 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.197 -10.846 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.194 -13.715 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.616 -12.697 -11.758 1.00 0.00 H new ATOM 526 N PHE A 32 2.852 -10.238 -12.637 1.00 0.00 N ATOM 527 CA PHE A 32 3.699 -9.066 -12.772 1.00 0.00 C ATOM 528 C PHE A 32 3.051 -7.842 -12.121 1.00 0.00 C ATOM 529 O PHE A 32 2.256 -7.147 -12.753 1.00 0.00 O ATOM 530 CB PHE A 32 3.865 -8.804 -14.271 1.00 0.00 C ATOM 531 CG PHE A 32 5.031 -9.561 -14.910 1.00 0.00 C ATOM 532 CD1 PHE A 32 4.930 -10.898 -15.137 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.168 -8.897 -15.250 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.012 -11.600 -15.731 1.00 0.00 C ATOM 535 CE2 PHE A 32 7.250 -9.599 -15.843 1.00 0.00 C ATOM 536 CZ PHE A 32 7.149 -10.936 -16.071 1.00 0.00 C ATOM 0 H PHE A 32 2.477 -10.597 -13.515 1.00 0.00 H new ATOM 0 HA PHE A 32 4.656 -9.241 -12.281 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.943 -9.080 -14.782 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.009 -7.735 -14.429 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.027 -11.426 -14.866 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.248 -7.835 -15.069 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.932 -12.662 -15.913 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.153 -9.072 -16.113 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.972 -11.470 -16.522 1.00 0.00 H new ATOM 546 N LEU A 33 3.413 -7.617 -10.867 1.00 0.00 N ATOM 547 CA LEU A 33 2.877 -6.490 -10.124 1.00 0.00 C ATOM 548 C LEU A 33 3.944 -5.399 -10.019 1.00 0.00 C ATOM 549 O LEU A 33 5.075 -5.669 -9.618 1.00 0.00 O ATOM 550 CB LEU A 33 2.333 -6.951 -8.770 1.00 0.00 C ATOM 551 CG LEU A 33 0.827 -6.783 -8.560 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.055 -7.114 -9.838 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.344 -7.612 -7.368 1.00 0.00 C ATOM 0 H LEU A 33 4.071 -8.197 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 33 2.028 -6.055 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.583 -8.004 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.853 -6.401 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 33 0.629 -5.737 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.013 -6.987 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.373 -6.446 -10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.254 -8.146 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.730 -7.475 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.556 -8.666 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.861 -7.287 -6.465 1.00 0.00 H new ATOM 565 N PRO A 34 3.536 -4.157 -10.396 1.00 0.00 N ATOM 566 CA PRO A 34 4.445 -3.024 -10.348 1.00 0.00 C ATOM 567 C PRO A 34 4.660 -2.554 -8.908 1.00 0.00 C ATOM 568 O PRO A 34 3.703 -2.415 -8.147 1.00 0.00 O ATOM 569 CB PRO A 34 3.801 -1.966 -11.229 1.00 0.00 C ATOM 570 CG PRO A 34 2.340 -2.367 -11.361 1.00 0.00 C ATOM 571 CD PRO A 34 2.204 -3.801 -10.876 1.00 0.00 C ATOM 0 HA PRO A 34 5.444 -3.270 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.896 -0.976 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.284 -1.923 -12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.707 -1.703 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.013 -2.282 -12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.462 -3.882 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.883 -4.463 -11.681 1.00 0.00 H new ATOM 579 N ALA A 35 5.921 -2.322 -8.577 1.00 0.00 N ATOM 580 CA ALA A 35 6.274 -1.871 -7.242 1.00 0.00 C ATOM 581 C ALA A 35 7.325 -0.763 -7.343 1.00 0.00 C ATOM 582 O ALA A 35 8.298 -0.893 -8.084 1.00 0.00 O ATOM 583 CB ALA A 35 6.759 -3.061 -6.411 1.00 0.00 C ATOM 0 H ALA A 35 6.712 -2.438 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 35 5.403 -1.454 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.024 -2.722 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.966 -3.805 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.634 -3.505 -6.887 1.00 0.00 H new ATOM 589 N PRO A 36 7.086 0.328 -6.568 1.00 0.00 N ATOM 590 CA PRO A 36 8.001 1.457 -6.564 1.00 0.00 C ATOM 591 C PRO A 36 9.271 1.131 -5.775 1.00 0.00 C ATOM 592 O PRO A 36 9.198 0.630 -4.654 1.00 0.00 O ATOM 593 CB PRO A 36 7.206 2.605 -5.963 1.00 0.00 C ATOM 594 CG PRO A 36 6.040 1.965 -5.228 1.00 0.00 C ATOM 595 CD PRO A 36 5.944 0.516 -5.679 1.00 0.00 C ATOM 0 HA PRO A 36 8.356 1.715 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.822 3.192 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.853 3.284 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.192 2.020 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.113 2.495 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.986 -0.167 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.004 0.324 -6.196 1.00 0.00 H new ATOM 603 N GLU A 37 10.405 1.429 -6.391 1.00 0.00 N ATOM 604 CA GLU A 37 11.689 1.174 -5.760 1.00 0.00 C ATOM 605 C GLU A 37 12.284 2.477 -5.222 1.00 0.00 C ATOM 606 O GLU A 37 12.661 3.357 -5.994 1.00 0.00 O ATOM 607 CB GLU A 37 12.652 0.493 -6.734 1.00 0.00 C ATOM 608 CG GLU A 37 13.898 -0.017 -6.006 1.00 0.00 C ATOM 609 CD GLU A 37 14.829 -0.760 -6.966 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.369 -1.778 -7.528 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.979 -0.294 -7.117 1.00 0.00 O ATOM 0 H GLU A 37 10.462 1.845 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 37 11.532 0.496 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.149 -0.339 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.944 1.196 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.429 0.822 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.603 -0.681 -5.194 1.00 0.00 H new ATOM 618 N ASP A 38 12.350 2.559 -3.901 1.00 0.00 N ATOM 619 CA ASP A 38 12.892 3.740 -3.251 1.00 0.00 C ATOM 620 C ASP A 38 12.239 4.989 -3.844 1.00 0.00 C ATOM 621 O ASP A 38 12.795 5.618 -4.742 1.00 0.00 O ATOM 622 CB ASP A 38 14.402 3.845 -3.472 1.00 0.00 C ATOM 623 CG ASP A 38 15.240 3.927 -2.194 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.189 4.997 -1.550 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.911 2.917 -1.890 1.00 0.00 O ATOM 0 H ASP A 38 12.037 1.827 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 38 12.688 3.661 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.730 2.980 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.604 4.728 -4.078 1.00 0.00 H new ATOM 630 N VAL A 39 11.067 5.312 -3.317 1.00 0.00 N ATOM 631 CA VAL A 39 10.331 6.475 -3.783 1.00 0.00 C ATOM 632 C VAL A 39 10.854 7.723 -3.069 1.00 0.00 C ATOM 633 O VAL A 39 11.283 7.651 -1.918 1.00 0.00 O ATOM 634 CB VAL A 39 8.829 6.258 -3.585 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.199 5.623 -4.826 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.557 5.415 -2.338 1.00 0.00 C ATOM 0 H VAL A 39 10.609 4.788 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 39 10.486 6.622 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 39 8.366 7.233 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.131 5.479 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.347 6.278 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.669 4.659 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.482 5.276 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.040 4.443 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.955 5.924 -1.460 1.00 0.00 H new ATOM 646 N GLU A 40 10.801 8.839 -3.781 1.00 0.00 N ATOM 647 CA GLU A 40 11.264 10.101 -3.230 1.00 0.00 C ATOM 648 C GLU A 40 10.532 10.410 -1.923 1.00 0.00 C ATOM 649 O GLU A 40 9.512 9.795 -1.618 1.00 0.00 O ATOM 650 CB GLU A 40 11.088 11.238 -4.239 1.00 0.00 C ATOM 651 CG GLU A 40 11.592 12.563 -3.666 1.00 0.00 C ATOM 652 CD GLU A 40 11.715 13.624 -4.762 1.00 0.00 C ATOM 653 OE1 GLU A 40 10.664 14.201 -5.114 1.00 0.00 O ATOM 654 OE2 GLU A 40 12.858 13.833 -5.224 1.00 0.00 O ATOM 0 H GLU A 40 10.444 8.895 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 40 12.329 10.012 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.631 11.004 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.036 11.331 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.908 12.912 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.561 12.412 -3.191 1.00 0.00 H new ATOM 661 N THR A 41 11.082 11.363 -1.185 1.00 0.00 N ATOM 662 CA THR A 41 10.495 11.761 0.083 1.00 0.00 C ATOM 663 C THR A 41 8.979 11.912 -0.056 1.00 0.00 C ATOM 664 O THR A 41 8.219 11.332 0.719 1.00 0.00 O ATOM 665 CB THR A 41 11.193 13.041 0.547 1.00 0.00 C ATOM 666 OG1 THR A 41 12.249 12.577 1.384 1.00 0.00 O ATOM 667 CG2 THR A 41 10.318 13.879 1.482 1.00 0.00 C ATOM 0 H THR A 41 11.928 11.871 -1.441 1.00 0.00 H new ATOM 0 HA THR A 41 10.646 10.997 0.846 1.00 0.00 H new ATOM 0 HB THR A 41 11.472 13.638 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.755 13.343 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.861 14.776 1.782 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.402 14.165 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.067 13.294 2.367 1.00 0.00 H new ATOM 675 N ASN A 42 8.583 12.695 -1.049 1.00 0.00 N ATOM 676 CA ASN A 42 7.171 12.930 -1.300 1.00 0.00 C ATOM 677 C ASN A 42 6.771 12.253 -2.613 1.00 0.00 C ATOM 678 O ASN A 42 6.248 12.904 -3.516 1.00 0.00 O ATOM 679 CB ASN A 42 6.876 14.425 -1.429 1.00 0.00 C ATOM 680 CG ASN A 42 7.021 15.132 -0.080 1.00 0.00 C ATOM 681 OD1 ASN A 42 7.297 14.524 0.941 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.820 16.445 -0.133 1.00 0.00 N ATOM 0 H ASN A 42 9.216 13.175 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 42 6.607 12.523 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.557 14.872 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.865 14.568 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.894 17.007 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.592 16.891 -1.022 1.00 0.00 H new ATOM 689 N CYS A 43 7.032 10.956 -2.677 1.00 0.00 N ATOM 690 CA CYS A 43 6.706 10.185 -3.864 1.00 0.00 C ATOM 691 C CYS A 43 5.801 9.023 -3.449 1.00 0.00 C ATOM 692 O CYS A 43 4.874 8.665 -4.173 1.00 0.00 O ATOM 693 CB CYS A 43 7.965 9.698 -4.585 1.00 0.00 C ATOM 694 SG CYS A 43 8.281 10.496 -6.201 1.00 0.00 S ATOM 0 H CYS A 43 7.466 10.419 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 43 6.179 10.818 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.826 9.867 -3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.886 8.621 -4.736 1.00 0.00 H new ATOM 699 N GLU A 44 6.102 8.467 -2.284 1.00 0.00 N ATOM 700 CA GLU A 44 5.327 7.354 -1.764 1.00 0.00 C ATOM 701 C GLU A 44 3.851 7.516 -2.133 1.00 0.00 C ATOM 702 O GLU A 44 3.161 6.532 -2.395 1.00 0.00 O ATOM 703 CB GLU A 44 5.503 7.224 -0.250 1.00 0.00 C ATOM 704 CG GLU A 44 5.543 5.754 0.173 1.00 0.00 C ATOM 705 CD GLU A 44 4.150 5.256 0.562 1.00 0.00 C ATOM 706 OE1 GLU A 44 3.235 6.107 0.605 1.00 0.00 O ATOM 707 OE2 GLU A 44 4.030 4.036 0.806 1.00 0.00 O ATOM 0 H GLU A 44 6.872 8.767 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 44 5.696 6.435 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.424 7.720 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.684 7.731 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.935 5.148 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.224 5.633 1.015 1.00 0.00 H new ATOM 714 N TRP A 45 3.410 8.766 -2.141 1.00 0.00 N ATOM 715 CA TRP A 45 2.029 9.069 -2.474 1.00 0.00 C ATOM 716 C TRP A 45 1.798 8.680 -3.935 1.00 0.00 C ATOM 717 O TRP A 45 0.947 7.842 -4.231 1.00 0.00 O ATOM 718 CB TRP A 45 1.706 10.537 -2.188 1.00 0.00 C ATOM 719 CG TRP A 45 1.470 10.846 -0.708 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.158 11.684 0.080 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.443 10.281 0.135 1.00 0.00 C ATOM 722 NE1 TRP A 45 1.651 11.701 1.364 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.576 10.821 1.398 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.564 9.346 -0.160 1.00 0.00 C ATOM 725 CZ2 TRP A 45 -0.266 10.487 2.466 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.396 9.023 0.918 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.276 9.557 2.196 1.00 0.00 C ATOM 0 H TRP A 45 3.985 9.580 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 45 1.346 8.493 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.526 11.156 -2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.818 10.820 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.003 12.272 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.001 12.257 2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.686 8.911 -1.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.142 10.924 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.187 8.308 0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.959 9.256 2.976 1.00 0.00 H new ATOM 738 N SER A 46 2.570 9.308 -4.811 1.00 0.00 N ATOM 739 CA SER A 46 2.460 9.038 -6.234 1.00 0.00 C ATOM 740 C SER A 46 2.779 7.568 -6.514 1.00 0.00 C ATOM 741 O SER A 46 2.490 7.062 -7.598 1.00 0.00 O ATOM 742 CB SER A 46 3.390 9.946 -7.040 1.00 0.00 C ATOM 743 OG SER A 46 2.680 10.715 -8.007 1.00 0.00 O ATOM 0 H SER A 46 3.274 10.003 -4.562 1.00 0.00 H new ATOM 0 HA SER A 46 1.436 9.246 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.920 10.616 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.144 9.339 -7.542 1.00 0.00 H new ATOM 0 HG SER A 46 3.309 11.283 -8.499 1.00 0.00 H new ATOM 749 N ALA A 47 3.369 6.924 -5.518 1.00 0.00 N ATOM 750 CA ALA A 47 3.730 5.522 -5.644 1.00 0.00 C ATOM 751 C ALA A 47 2.565 4.654 -5.163 1.00 0.00 C ATOM 752 O ALA A 47 2.270 3.619 -5.758 1.00 0.00 O ATOM 753 CB ALA A 47 5.018 5.254 -4.862 1.00 0.00 C ATOM 0 H ALA A 47 3.606 7.347 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 47 3.922 5.268 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.289 4.202 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.822 5.873 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.862 5.496 -3.811 1.00 0.00 H new ATOM 759 N PHE A 48 1.935 5.109 -4.090 1.00 0.00 N ATOM 760 CA PHE A 48 0.809 4.387 -3.522 1.00 0.00 C ATOM 761 C PHE A 48 -0.076 3.798 -4.622 1.00 0.00 C ATOM 762 O PHE A 48 -0.380 2.606 -4.608 1.00 0.00 O ATOM 763 CB PHE A 48 -0.008 5.397 -2.713 1.00 0.00 C ATOM 764 CG PHE A 48 -0.990 4.758 -1.729 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.932 3.886 -2.178 1.00 0.00 C ATOM 766 CD2 PHE A 48 -0.920 5.062 -0.405 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.843 3.293 -1.265 1.00 0.00 C ATOM 768 CE2 PHE A 48 -1.831 4.469 0.508 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.774 3.597 0.059 1.00 0.00 C ATOM 0 H PHE A 48 2.183 5.968 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 48 1.168 3.565 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.675 6.042 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.563 6.035 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.987 3.645 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.172 5.754 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.591 2.600 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.776 4.710 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.467 3.146 0.754 1.00 0.00 H new ATOM 779 N SER A 49 -0.465 4.660 -5.550 1.00 0.00 N ATOM 780 CA SER A 49 -1.309 4.240 -6.656 1.00 0.00 C ATOM 781 C SER A 49 -0.729 2.984 -7.309 1.00 0.00 C ATOM 782 O SER A 49 -1.467 2.065 -7.660 1.00 0.00 O ATOM 783 CB SER A 49 -1.457 5.357 -7.691 1.00 0.00 C ATOM 784 OG SER A 49 -0.226 5.637 -8.354 1.00 0.00 O ATOM 0 H SER A 49 -0.211 5.648 -5.559 1.00 0.00 H new ATOM 0 HA SER A 49 -2.300 4.013 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.209 5.072 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.818 6.261 -7.200 1.00 0.00 H new ATOM 0 HG SER A 49 0.361 6.143 -7.754 1.00 0.00 H new ATOM 790 N CYS A 50 0.588 2.985 -7.452 1.00 0.00 N ATOM 791 CA CYS A 50 1.276 1.857 -8.057 1.00 0.00 C ATOM 792 C CYS A 50 0.730 0.571 -7.433 1.00 0.00 C ATOM 793 O CYS A 50 0.493 -0.412 -8.134 1.00 0.00 O ATOM 794 CB CYS A 50 2.794 1.968 -7.899 1.00 0.00 C ATOM 795 SG CYS A 50 3.764 1.185 -9.238 1.00 0.00 S ATOM 0 H CYS A 50 1.197 3.749 -7.159 1.00 0.00 H new ATOM 0 HA CYS A 50 1.089 1.847 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.063 3.023 -7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.080 1.516 -6.950 1.00 0.00 H new ATOM 800 N PHE A 51 0.547 0.619 -6.121 1.00 0.00 N ATOM 801 CA PHE A 51 0.033 -0.530 -5.395 1.00 0.00 C ATOM 802 C PHE A 51 -1.477 -0.675 -5.594 1.00 0.00 C ATOM 803 O PHE A 51 -1.994 -1.789 -5.659 1.00 0.00 O ATOM 804 CB PHE A 51 0.319 -0.286 -3.912 1.00 0.00 C ATOM 805 CG PHE A 51 1.806 -0.314 -3.552 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.451 -1.504 -3.420 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.483 0.850 -3.363 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.831 -1.531 -3.086 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.862 0.824 -3.029 1.00 0.00 C ATOM 810 CZ PHE A 51 4.507 -0.366 -2.897 1.00 0.00 C ATOM 0 H PHE A 51 0.745 1.435 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 51 0.509 -1.442 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.095 0.681 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.201 -1.041 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.914 -2.429 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.971 1.795 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.343 -2.476 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.399 1.749 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.556 -0.386 -2.642 1.00 0.00 H new ATOM 820 N GLN A 52 -2.141 0.468 -5.686 1.00 0.00 N ATOM 821 CA GLN A 52 -3.582 0.483 -5.876 1.00 0.00 C ATOM 822 C GLN A 52 -3.943 -0.106 -7.242 1.00 0.00 C ATOM 823 O GLN A 52 -4.842 -0.938 -7.345 1.00 0.00 O ATOM 824 CB GLN A 52 -4.140 1.899 -5.725 1.00 0.00 C ATOM 825 CG GLN A 52 -5.378 1.907 -4.826 1.00 0.00 C ATOM 826 CD GLN A 52 -6.640 2.221 -5.633 1.00 0.00 C ATOM 827 OE1 GLN A 52 -7.181 3.314 -5.587 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.077 1.205 -6.372 1.00 0.00 N ATOM 0 H GLN A 52 -1.708 1.390 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.038 -0.136 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.376 2.552 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.396 2.300 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.485 0.937 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.253 2.648 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.576 0.316 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.913 1.315 -6.946 1.00 0.00 H new ATOM 837 N LYS A 53 -3.222 0.350 -8.256 1.00 0.00 N ATOM 838 CA LYS A 53 -3.455 -0.121 -9.611 1.00 0.00 C ATOM 839 C LYS A 53 -2.984 -1.571 -9.730 1.00 0.00 C ATOM 840 O LYS A 53 -3.610 -2.376 -10.418 1.00 0.00 O ATOM 841 CB LYS A 53 -2.805 0.822 -10.625 1.00 0.00 C ATOM 842 CG LYS A 53 -1.284 0.841 -10.460 1.00 0.00 C ATOM 843 CD LYS A 53 -0.611 -0.078 -11.481 1.00 0.00 C ATOM 844 CE LYS A 53 0.469 0.671 -12.264 1.00 0.00 C ATOM 845 NZ LYS A 53 0.777 -0.035 -13.528 1.00 0.00 N ATOM 0 H LYS A 53 -2.476 1.040 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.521 -0.112 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.061 0.506 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.201 1.829 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.914 1.859 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.020 0.525 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.168 -0.933 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.358 -0.471 -12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.133 1.685 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.372 0.756 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.786 0.079 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.557 -1.046 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.204 0.366 -14.298 1.00 0.00 H new ATOM 859 N ALA A 54 -1.885 -1.861 -9.049 1.00 0.00 N ATOM 860 CA ALA A 54 -1.323 -3.201 -9.070 1.00 0.00 C ATOM 861 C ALA A 54 -2.458 -4.226 -9.033 1.00 0.00 C ATOM 862 O ALA A 54 -2.537 -5.101 -9.894 1.00 0.00 O ATOM 863 CB ALA A 54 -0.351 -3.365 -7.900 1.00 0.00 C ATOM 0 H ALA A 54 -1.369 -1.191 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.759 -3.367 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.071 -4.370 -7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.452 -2.633 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.882 -3.209 -6.961 1.00 0.00 H new ATOM 869 N GLN A 55 -3.309 -4.084 -8.027 1.00 0.00 N ATOM 870 CA GLN A 55 -4.436 -4.987 -7.867 1.00 0.00 C ATOM 871 C GLN A 55 -3.942 -6.405 -7.571 1.00 0.00 C ATOM 872 O GLN A 55 -3.468 -7.101 -8.467 1.00 0.00 O ATOM 873 CB GLN A 55 -5.335 -4.967 -9.104 1.00 0.00 C ATOM 874 CG GLN A 55 -6.466 -5.989 -8.977 1.00 0.00 C ATOM 875 CD GLN A 55 -7.083 -6.296 -10.343 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.736 -7.259 -11.008 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.016 -5.428 -10.723 1.00 0.00 N ATOM 0 H GLN A 55 -3.240 -3.357 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.032 -4.646 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.755 -3.970 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.742 -5.184 -9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.083 -6.907 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.234 -5.606 -8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.259 -4.643 -10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.489 -5.547 -11.619 1.00 0.00 H new ATOM 886 N LEU A 56 -4.070 -6.790 -6.309 1.00 0.00 N ATOM 887 CA LEU A 56 -3.643 -8.112 -5.884 1.00 0.00 C ATOM 888 C LEU A 56 -4.715 -9.136 -6.262 1.00 0.00 C ATOM 889 O LEU A 56 -5.890 -8.955 -5.946 1.00 0.00 O ATOM 890 CB LEU A 56 -3.293 -8.109 -4.394 1.00 0.00 C ATOM 891 CG LEU A 56 -2.841 -9.448 -3.809 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.007 -10.436 -3.736 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.656 -10.017 -4.591 1.00 0.00 C ATOM 0 H LEU A 56 -4.463 -6.210 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.729 -8.402 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.502 -7.377 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.165 -7.768 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.500 -9.276 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.658 -11.380 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.793 -10.025 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.402 -10.608 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.355 -10.969 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.946 -10.171 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.821 -9.317 -4.547 1.00 0.00 H new ATOM 905 N LYS A 57 -4.272 -10.189 -6.932 1.00 0.00 N ATOM 906 CA LYS A 57 -5.179 -11.242 -7.356 1.00 0.00 C ATOM 907 C LYS A 57 -4.891 -12.512 -6.553 1.00 0.00 C ATOM 908 O LYS A 57 -3.739 -12.800 -6.232 1.00 0.00 O ATOM 909 CB LYS A 57 -5.098 -11.442 -8.871 1.00 0.00 C ATOM 910 CG LYS A 57 -6.112 -12.486 -9.342 1.00 0.00 C ATOM 911 CD LYS A 57 -7.519 -11.889 -9.416 1.00 0.00 C ATOM 912 CE LYS A 57 -8.577 -12.990 -9.508 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.930 -12.428 -9.298 1.00 0.00 N ATOM 0 H LYS A 57 -3.297 -10.336 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.211 -10.960 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.285 -10.495 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.092 -11.757 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.821 -12.864 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.109 -13.335 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.704 -11.274 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.595 -11.233 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.525 -13.472 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.376 -13.759 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.636 -13.189 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.981 -11.989 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.125 -11.711 -10.026 1.00 0.00 H new ATOM 927 N SER A 58 -5.958 -13.237 -6.250 1.00 0.00 N ATOM 928 CA SER A 58 -5.834 -14.469 -5.490 1.00 0.00 C ATOM 929 C SER A 58 -5.581 -15.645 -6.436 1.00 0.00 C ATOM 930 O SER A 58 -5.845 -15.550 -7.634 1.00 0.00 O ATOM 931 CB SER A 58 -7.086 -14.725 -4.648 1.00 0.00 C ATOM 932 OG SER A 58 -6.781 -15.399 -3.430 1.00 0.00 O ATOM 0 H SER A 58 -6.912 -12.995 -6.517 1.00 0.00 H new ATOM 0 HA SER A 58 -4.987 -14.368 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.573 -13.776 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.795 -15.320 -5.224 1.00 0.00 H new ATOM 0 HG SER A 58 -5.909 -15.098 -3.099 1.00 0.00 H new ATOM 938 N ALA A 59 -5.074 -16.726 -5.863 1.00 0.00 N ATOM 939 CA ALA A 59 -4.783 -17.919 -6.641 1.00 0.00 C ATOM 940 C ALA A 59 -6.084 -18.470 -7.226 1.00 0.00 C ATOM 941 O ALA A 59 -6.058 -19.348 -8.088 1.00 0.00 O ATOM 942 CB ALA A 59 -4.061 -18.940 -5.759 1.00 0.00 C ATOM 0 H ALA A 59 -4.857 -16.801 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.121 -17.683 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.843 -19.835 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.129 -18.510 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.696 -19.204 -4.913 1.00 0.00 H new ATOM 948 N ASN A 60 -7.191 -17.933 -6.736 1.00 0.00 N ATOM 949 CA ASN A 60 -8.500 -18.361 -7.200 1.00 0.00 C ATOM 950 C ASN A 60 -8.781 -19.774 -6.687 1.00 0.00 C ATOM 951 O ASN A 60 -9.643 -19.968 -5.832 1.00 0.00 O ATOM 952 CB ASN A 60 -8.559 -18.392 -8.729 1.00 0.00 C ATOM 953 CG ASN A 60 -9.564 -17.367 -9.259 1.00 0.00 C ATOM 954 OD1 ASN A 60 -9.655 -16.246 -8.787 1.00 0.00 O ATOM 955 ND2 ASN A 60 -10.311 -17.814 -10.265 1.00 0.00 N ATOM 0 H ASN A 60 -7.209 -17.205 -6.022 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.239 -17.653 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.571 -18.184 -9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.840 -19.390 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.012 -17.206 -10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.183 -18.765 -10.612 1.00 0.00 H new ATOM 962 N THR A 61 -8.037 -20.726 -7.232 1.00 0.00 N ATOM 963 CA THR A 61 -8.196 -22.116 -6.840 1.00 0.00 C ATOM 964 C THR A 61 -7.693 -22.328 -5.410 1.00 0.00 C ATOM 965 O THR A 61 -6.741 -23.073 -5.187 1.00 0.00 O ATOM 966 CB THR A 61 -7.474 -22.984 -7.872 1.00 0.00 C ATOM 967 OG1 THR A 61 -7.786 -24.319 -7.483 1.00 0.00 O ATOM 968 CG2 THR A 61 -5.951 -22.904 -7.743 1.00 0.00 C ATOM 0 H THR A 61 -7.323 -20.562 -7.942 1.00 0.00 H new ATOM 0 HA THR A 61 -9.247 -22.405 -6.828 1.00 0.00 H new ATOM 0 HB THR A 61 -7.770 -22.676 -8.875 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.358 -24.948 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.488 -23.539 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.627 -21.873 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.652 -23.243 -6.751 1.00 0.00 H new ATOM 976 N GLY A 62 -8.356 -21.659 -4.479 1.00 0.00 N ATOM 977 CA GLY A 62 -7.989 -21.764 -3.077 1.00 0.00 C ATOM 978 C GLY A 62 -9.225 -21.681 -2.178 1.00 0.00 C ATOM 979 O GLY A 62 -10.271 -22.239 -2.504 1.00 0.00 O ATOM 0 H GLY A 62 -9.146 -21.042 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.471 -22.707 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.293 -20.966 -2.819 1.00 0.00 H new ATOM 983 N ASN A 63 -9.062 -20.980 -1.066 1.00 0.00 N ATOM 984 CA ASN A 63 -10.151 -20.817 -0.118 1.00 0.00 C ATOM 985 C ASN A 63 -10.211 -19.358 0.337 1.00 0.00 C ATOM 986 O ASN A 63 -11.282 -18.753 0.356 1.00 0.00 O ATOM 987 CB ASN A 63 -9.939 -21.690 1.121 1.00 0.00 C ATOM 988 CG ASN A 63 -11.275 -22.060 1.767 1.00 0.00 C ATOM 989 OD1 ASN A 63 -11.832 -23.121 1.538 1.00 0.00 O ATOM 990 ND2 ASN A 63 -11.758 -21.127 2.583 1.00 0.00 N ATOM 0 H ASN A 63 -8.192 -20.518 -0.800 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.076 -21.113 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.402 -22.597 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.317 -21.159 1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.646 -21.278 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.240 -20.261 2.730 1.00 0.00 H new ATOM 997 N ASN A 64 -9.047 -18.833 0.692 1.00 0.00 N ATOM 998 CA ASN A 64 -8.954 -17.456 1.145 1.00 0.00 C ATOM 999 C ASN A 64 -9.414 -16.522 0.024 1.00 0.00 C ATOM 1000 O ASN A 64 -9.682 -15.346 0.262 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.512 -17.090 1.503 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.935 -18.073 2.524 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.857 -18.619 2.358 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.710 -18.265 3.588 1.00 0.00 N ATOM 0 H ASN A 64 -8.160 -19.337 0.675 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.584 -17.349 2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.898 -17.093 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.479 -16.078 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.413 -18.902 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.602 -17.776 3.664 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.491 -17.082 -1.175 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.914 -16.314 -2.334 1.00 0.00 C ATOM 1013 C GLU A 65 -11.011 -15.322 -1.942 1.00 0.00 C ATOM 1014 O GLU A 65 -11.088 -14.226 -2.494 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.385 -17.236 -3.460 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.576 -16.457 -4.763 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.786 -15.524 -4.671 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.860 -16.026 -4.274 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.610 -14.332 -5.000 1.00 0.00 O ATOM 0 H GLU A 65 -9.268 -18.058 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.058 -15.751 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.656 -18.032 -3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.323 -17.713 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.679 -15.876 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.711 -17.153 -5.591 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.833 -15.743 -0.991 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.922 -14.906 -0.519 1.00 0.00 C ATOM 1028 C ARG A 66 -12.403 -13.879 0.490 1.00 0.00 C ATOM 1029 O ARG A 66 -12.684 -12.687 0.368 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.018 -15.747 0.138 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.111 -14.855 0.733 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.401 -14.950 -0.084 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.836 -13.599 -0.502 1.00 0.00 N ATOM 1034 CZ ARG A 66 -18.089 -13.292 -0.864 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -19.039 -14.237 -0.861 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.393 -12.039 -1.228 1.00 0.00 N ATOM 0 H ARG A 66 -11.766 -16.653 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.343 -14.391 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.455 -16.421 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.584 -16.368 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.306 -15.151 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.768 -13.821 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.240 -15.577 -0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.182 -15.425 0.509 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.138 -12.855 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.809 -15.191 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.993 -14.002 -1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.671 -11.319 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.347 -11.805 -1.504 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.655 -14.378 1.463 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.095 -13.519 2.492 1.00 0.00 C ATOM 1052 C ILE A 67 -10.149 -12.505 1.844 1.00 0.00 C ATOM 1053 O ILE A 67 -9.748 -11.531 2.480 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.439 -14.357 3.591 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.406 -13.594 4.916 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.047 -14.827 3.165 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.801 -13.096 5.298 1.00 0.00 C ATOM 0 H ILE A 67 -11.424 -15.367 1.560 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.884 -12.951 2.985 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.045 -15.249 3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.019 -14.242 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.724 -12.748 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.603 -15.420 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.128 -15.435 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.417 -13.961 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.749 -12.557 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.175 -12.429 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.475 -13.946 5.402 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.821 -12.769 0.588 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.930 -11.892 -0.152 1.00 0.00 C ATOM 1071 C ILE A 68 -9.746 -10.772 -0.801 1.00 0.00 C ATOM 1072 O ILE A 68 -9.417 -9.596 -0.658 1.00 0.00 O ATOM 1073 CB ILE A 68 -8.090 -12.696 -1.147 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.688 -12.958 -0.594 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -8.049 -12.008 -2.512 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.646 -14.267 0.198 1.00 0.00 C ATOM 0 H ILE A 68 -10.156 -13.578 0.064 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.217 -11.418 0.522 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.566 -13.666 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.972 -13.002 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.386 -12.131 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.446 -12.600 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.062 -11.917 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.610 -11.016 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.638 -14.429 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.345 -14.210 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.925 -15.095 -0.453 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.796 -11.178 -1.501 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.662 -10.224 -2.172 1.00 0.00 C ATOM 1090 C ASN A 69 -12.059 -9.122 -1.188 1.00 0.00 C ATOM 1091 O ASN A 69 -12.293 -7.982 -1.587 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.943 -10.897 -2.669 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.855 -9.890 -3.371 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.480 -8.763 -3.650 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -15.071 -10.357 -3.640 1.00 0.00 N ATOM 0 H ASN A 69 -11.066 -12.155 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.117 -9.814 -3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.691 -11.705 -3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.471 -11.347 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.754 -9.761 -4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.320 -11.311 -3.379 1.00 0.00 H new ATOM 1102 N VAL A 70 -12.122 -9.500 0.081 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.487 -8.558 1.125 1.00 0.00 C ATOM 1104 C VAL A 70 -11.404 -7.482 1.237 1.00 0.00 C ATOM 1105 O VAL A 70 -11.701 -6.327 1.539 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.728 -9.302 2.440 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.532 -10.582 2.206 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.406 -9.606 3.148 1.00 0.00 C ATOM 0 H VAL A 70 -11.926 -10.446 0.409 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.421 -8.055 0.875 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.314 -8.653 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.689 -11.092 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.497 -10.330 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.984 -11.237 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.606 -10.135 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.783 -10.227 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.886 -8.673 3.365 1.00 0.00 H new ATOM 1118 N SER A 71 -10.172 -7.900 0.986 1.00 0.00 N ATOM 1119 CA SER A 71 -9.044 -6.987 1.055 1.00 0.00 C ATOM 1120 C SER A 71 -8.952 -6.171 -0.236 1.00 0.00 C ATOM 1121 O SER A 71 -8.868 -4.944 -0.195 1.00 0.00 O ATOM 1122 CB SER A 71 -7.737 -7.744 1.298 1.00 0.00 C ATOM 1123 OG SER A 71 -7.875 -8.737 2.310 1.00 0.00 O ATOM 0 H SER A 71 -9.930 -8.859 0.735 1.00 0.00 H new ATOM 0 HA SER A 71 -9.202 -6.311 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.413 -8.215 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.958 -7.038 1.586 1.00 0.00 H new ATOM 0 HG SER A 71 -7.020 -9.199 2.434 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.973 -6.884 -1.353 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.893 -6.241 -2.653 1.00 0.00 C ATOM 1131 C ILE A 72 -9.704 -4.944 -2.627 1.00 0.00 C ATOM 1132 O ILE A 72 -9.255 -3.917 -3.133 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.320 -7.211 -3.757 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.368 -8.406 -3.836 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.448 -6.490 -5.101 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.733 -9.321 -5.007 1.00 0.00 C ATOM 0 H ILE A 72 -9.044 -7.901 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.862 -5.968 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.306 -7.602 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.343 -8.052 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.407 -8.969 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.752 -7.202 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.196 -5.701 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.487 -6.053 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.041 -10.162 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.749 -9.692 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.669 -8.761 -5.940 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.884 -5.033 -2.031 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.761 -3.879 -1.932 1.00 0.00 C ATOM 1150 C LYS A 73 -10.992 -2.711 -1.312 1.00 0.00 C ATOM 1151 O LYS A 73 -10.693 -1.729 -1.991 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.041 -4.242 -1.176 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.264 -4.141 -2.089 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.057 -2.864 -1.803 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.294 -2.774 -2.699 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.958 -1.462 -2.537 1.00 0.00 N ATOM 0 H LYS A 73 -11.253 -5.886 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.083 -3.559 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.960 -5.255 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.164 -3.576 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.946 -4.150 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.904 -5.011 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.360 -2.847 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.422 -1.993 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.007 -2.916 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.991 -3.574 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.795 -1.418 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.250 -1.341 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.296 -0.703 -2.799 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.692 -2.855 -0.029 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.963 -1.824 0.689 1.00 0.00 C ATOM 1172 C LYS A 74 -8.619 -1.580 -0.001 1.00 0.00 C ATOM 1173 O LYS A 74 -8.265 -0.439 -0.292 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.837 -2.190 2.169 1.00 0.00 C ATOM 1175 CG LYS A 74 -11.103 -1.806 2.939 1.00 0.00 C ATOM 1176 CD LYS A 74 -12.150 -2.919 2.860 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.575 -3.371 4.259 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.699 -4.845 4.311 1.00 0.00 N ATOM 0 H LYS A 74 -10.941 -3.670 0.531 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.510 -0.882 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.657 -3.260 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.976 -1.681 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.854 -1.610 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.516 -0.883 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.021 -2.566 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.744 -3.767 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.844 -3.035 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.527 -2.910 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.696 -5.105 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.355 -5.254 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.133 -5.213 5.102 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.908 -2.672 -0.242 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.611 -2.591 -0.893 1.00 0.00 C ATOM 1194 C LEU A 75 -6.665 -1.535 -1.999 1.00 0.00 C ATOM 1195 O LEU A 75 -5.660 -0.893 -2.298 1.00 0.00 O ATOM 1196 CB LEU A 75 -6.170 -3.972 -1.382 1.00 0.00 C ATOM 1197 CG LEU A 75 -5.059 -3.988 -2.434 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.784 -4.621 -1.874 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.528 -4.679 -3.716 1.00 0.00 C ATOM 0 H LEU A 75 -8.205 -3.617 0.002 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.848 -2.271 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.836 -4.551 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.040 -4.485 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.819 -2.957 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.010 -4.620 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.441 -4.048 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.991 -5.647 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.720 -4.677 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.812 -5.707 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.387 -4.146 -4.123 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.848 -1.389 -2.576 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.046 -0.422 -3.642 1.00 0.00 C ATOM 1213 C LYS A 76 -8.350 0.948 -3.033 1.00 0.00 C ATOM 1214 O LYS A 76 -9.304 1.613 -3.434 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.118 -0.912 -4.618 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.626 -2.125 -5.409 1.00 0.00 C ATOM 1217 CD LYS A 76 -8.548 -1.810 -6.904 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.795 -2.313 -7.636 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.304 -1.278 -8.564 1.00 0.00 N ATOM 0 H LYS A 76 -8.679 -1.924 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.136 -0.314 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.022 -1.174 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.384 -0.109 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.644 -2.426 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.298 -2.967 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.447 -0.734 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.659 -2.274 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.557 -3.221 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.568 -2.574 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.150 -1.635 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.550 -0.421 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.570 -1.049 -9.265 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.520 1.331 -2.073 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.688 2.610 -1.405 1.00 0.00 C ATOM 1235 C ARG A 77 -6.751 3.655 -2.015 1.00 0.00 C ATOM 1236 O ARG A 77 -5.543 3.618 -1.789 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.399 2.490 0.093 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.698 2.362 0.893 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.407 2.178 2.384 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.557 2.654 3.186 1.00 0.00 N ATOM 1241 CZ ARG A 77 -9.699 2.432 4.499 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -8.766 1.740 5.167 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -10.776 2.901 5.145 1.00 0.00 N ATOM 0 H ARG A 77 -6.730 0.778 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.724 2.922 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.767 1.621 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.844 3.365 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.310 3.252 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.275 1.514 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.214 1.127 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.508 2.730 2.659 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.286 3.184 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.947 1.382 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.875 1.571 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.487 3.427 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.885 2.732 6.145 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.345 4.562 -2.777 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.580 5.615 -3.421 1.00 0.00 C ATOM 1259 C LYS A 78 -6.066 6.589 -2.359 1.00 0.00 C ATOM 1260 O LYS A 78 -6.533 6.575 -1.221 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.408 6.284 -4.520 1.00 0.00 C ATOM 1262 CG LYS A 78 -8.073 7.562 -4.004 1.00 0.00 C ATOM 1263 CD LYS A 78 -8.932 7.274 -2.772 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.366 6.923 -3.174 1.00 0.00 C ATOM 1265 NZ LYS A 78 -11.250 6.914 -1.987 1.00 0.00 N ATOM 0 H LYS A 78 -8.348 4.589 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.706 5.199 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.768 6.521 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.170 5.592 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.309 8.299 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.691 7.997 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.497 6.450 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.937 8.145 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.733 7.646 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.386 5.946 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.219 6.674 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.908 6.207 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.245 7.854 -1.543 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.086 7.433 -2.780 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.503 8.412 -1.878 1.00 0.00 C ATOM 1281 C PRO A 79 -5.461 9.583 -1.647 1.00 0.00 C ATOM 1282 O PRO A 79 -6.416 9.765 -2.399 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.201 8.831 -2.540 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.325 8.425 -3.999 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.508 7.478 -4.120 1.00 0.00 C ATOM 0 HA PRO A 79 -4.316 8.008 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.043 9.905 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.348 8.341 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.473 9.303 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.411 7.939 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.231 7.839 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.191 6.488 -4.448 1.00 0.00 H new ATOM 1293 N PRO A 80 -5.163 10.366 -0.576 1.00 0.00 N ATOM 1294 CA PRO A 80 -5.986 11.515 -0.237 1.00 0.00 C ATOM 1295 C PRO A 80 -5.731 12.676 -1.201 1.00 0.00 C ATOM 1296 O PRO A 80 -4.900 12.569 -2.101 1.00 0.00 O ATOM 1297 CB PRO A 80 -5.624 11.847 1.202 1.00 0.00 C ATOM 1298 CG PRO A 80 -4.287 11.172 1.462 1.00 0.00 C ATOM 1299 CD PRO A 80 -4.039 10.180 0.337 1.00 0.00 C ATOM 0 HA PRO A 80 -7.053 11.310 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.552 12.925 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.386 11.482 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.487 11.912 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.298 10.662 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.089 10.375 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.999 9.157 0.712 1.00 0.00 H new ATOM 1307 N SER A 81 -6.462 13.758 -0.978 1.00 0.00 N ATOM 1308 CA SER A 81 -6.326 14.938 -1.816 1.00 0.00 C ATOM 1309 C SER A 81 -4.850 15.319 -1.947 1.00 0.00 C ATOM 1310 O SER A 81 -4.433 15.858 -2.971 1.00 0.00 O ATOM 1311 CB SER A 81 -7.129 16.111 -1.250 1.00 0.00 C ATOM 1312 OG SER A 81 -8.530 15.853 -1.260 1.00 0.00 O ATOM 0 H SER A 81 -7.150 13.843 -0.230 1.00 0.00 H new ATOM 0 HA SER A 81 -6.723 14.704 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.805 16.313 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.921 17.008 -1.834 1.00 0.00 H new ATOM 0 HG SER A 81 -9.007 16.625 -0.889 1.00 0.00 H new ATOM 1318 N THR A 82 -4.100 15.024 -0.896 1.00 0.00 N ATOM 1319 CA THR A 82 -2.679 15.329 -0.881 1.00 0.00 C ATOM 1320 C THR A 82 -1.962 14.583 -2.007 1.00 0.00 C ATOM 1321 O THR A 82 -0.819 14.898 -2.336 1.00 0.00 O ATOM 1322 CB THR A 82 -2.139 14.994 0.511 1.00 0.00 C ATOM 1323 OG1 THR A 82 -0.998 15.835 0.652 1.00 0.00 O ATOM 1324 CG2 THR A 82 -1.568 13.576 0.592 1.00 0.00 C ATOM 0 H THR A 82 -4.449 14.577 -0.048 1.00 0.00 H new ATOM 0 HA THR A 82 -2.499 16.387 -1.069 1.00 0.00 H new ATOM 0 HB THR A 82 -2.936 15.108 1.246 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.586 15.684 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.199 13.390 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.350 12.855 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.749 13.472 -0.119 1.00 0.00 H new ATOM 1332 N ASN A 83 -2.662 13.607 -2.568 1.00 0.00 N ATOM 1333 CA ASN A 83 -2.106 12.814 -3.650 1.00 0.00 C ATOM 1334 C ASN A 83 -1.401 13.739 -4.644 1.00 0.00 C ATOM 1335 O ASN A 83 -0.175 13.725 -4.748 1.00 0.00 O ATOM 1336 CB ASN A 83 -3.206 12.062 -4.403 1.00 0.00 C ATOM 1337 CG ASN A 83 -2.655 11.415 -5.676 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -3.228 11.510 -6.749 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -1.515 10.754 -5.497 1.00 0.00 N ATOM 0 H ASN A 83 -3.609 13.348 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.408 12.096 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.635 11.296 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.012 12.750 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.067 10.287 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.089 10.714 -4.571 1.00 0.00 H new ATOM 1346 N ALA A 84 -2.205 14.520 -5.350 1.00 0.00 N ATOM 1347 CA ALA A 84 -1.673 15.449 -6.333 1.00 0.00 C ATOM 1348 C ALA A 84 -0.953 14.666 -7.432 1.00 0.00 C ATOM 1349 O ALA A 84 -0.746 13.460 -7.306 1.00 0.00 O ATOM 1350 CB ALA A 84 -0.755 16.457 -5.637 1.00 0.00 C ATOM 0 H ALA A 84 -3.221 14.529 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.478 16.012 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.355 17.154 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.322 17.008 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.067 15.928 -5.155 1.00 0.00 H new ATOM 1356 N GLY A 85 -0.591 15.384 -8.485 1.00 0.00 N ATOM 1357 CA GLY A 85 0.102 14.771 -9.606 1.00 0.00 C ATOM 1358 C GLY A 85 0.866 15.819 -10.418 1.00 0.00 C ATOM 1359 O GLY A 85 1.169 16.900 -9.914 1.00 0.00 O ATOM 0 H GLY A 85 -0.764 16.384 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.795 14.014 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.617 14.262 -10.248 1.00 0.00 H new ATOM 1363 N ARG A 86 1.155 15.463 -11.661 1.00 0.00 N ATOM 1364 CA ARG A 86 1.878 16.359 -12.547 1.00 0.00 C ATOM 1365 C ARG A 86 0.898 17.162 -13.405 1.00 0.00 C ATOM 1366 O ARG A 86 0.198 16.600 -14.246 1.00 0.00 O ATOM 1367 CB ARG A 86 2.827 15.582 -13.462 1.00 0.00 C ATOM 1368 CG ARG A 86 4.182 16.284 -13.569 1.00 0.00 C ATOM 1369 CD ARG A 86 5.074 15.598 -14.606 1.00 0.00 C ATOM 1370 NE ARG A 86 6.488 15.654 -14.173 1.00 0.00 N ATOM 1371 CZ ARG A 86 7.533 15.481 -14.994 1.00 0.00 C ATOM 1372 NH1 ARG A 86 7.329 15.240 -16.296 1.00 0.00 N ATOM 1373 NH2 ARG A 86 8.782 15.549 -14.513 1.00 0.00 N ATOM 0 H ARG A 86 0.901 14.566 -12.075 1.00 0.00 H new ATOM 0 HA ARG A 86 2.464 17.037 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.966 14.573 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.384 15.485 -14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.034 17.328 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.677 16.278 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.765 14.561 -14.734 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.962 16.086 -15.574 1.00 0.00 H new ATOM 0 HE ARG A 86 6.679 15.836 -13.188 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.378 15.188 -16.662 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.124 15.108 -16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.937 15.732 -13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.577 15.417 -15.138 1.00 0.00 H new ATOM 1387 N ARG A 87 0.878 18.464 -13.162 1.00 0.00 N ATOM 1388 CA ARG A 87 -0.005 19.350 -13.901 1.00 0.00 C ATOM 1389 C ARG A 87 0.232 20.804 -13.486 1.00 0.00 C ATOM 1390 O ARG A 87 0.636 21.629 -14.304 1.00 0.00 O ATOM 1391 CB ARG A 87 -1.473 18.992 -13.661 1.00 0.00 C ATOM 1392 CG ARG A 87 -2.369 19.597 -14.743 1.00 0.00 C ATOM 1393 CD ARG A 87 -2.728 18.554 -15.804 1.00 0.00 C ATOM 1394 NE ARG A 87 -2.288 19.017 -17.139 1.00 0.00 N ATOM 1395 CZ ARG A 87 -2.710 18.488 -18.295 1.00 0.00 C ATOM 1396 NH1 ARG A 87 -3.586 17.474 -18.287 1.00 0.00 N ATOM 1397 NH2 ARG A 87 -2.257 18.973 -19.459 1.00 0.00 N ATOM 0 H ARG A 87 1.459 18.927 -12.463 1.00 0.00 H new ATOM 0 HA ARG A 87 0.218 19.230 -14.961 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.590 17.908 -13.651 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.784 19.355 -12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.280 19.988 -14.289 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.860 20.439 -15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.253 17.602 -15.565 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.804 18.381 -15.806 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.621 19.788 -17.182 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.931 17.105 -17.401 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.908 17.071 -19.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.591 19.745 -19.465 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.579 18.570 -20.339 1.00 0.00 H new ATOM 1411 N GLN A 88 -0.029 21.073 -12.215 1.00 0.00 N ATOM 1412 CA GLN A 88 0.151 22.412 -11.682 1.00 0.00 C ATOM 1413 C GLN A 88 0.436 22.352 -10.180 1.00 0.00 C ATOM 1414 O GLN A 88 1.434 22.897 -9.711 1.00 0.00 O ATOM 1415 CB GLN A 88 -1.070 23.287 -11.973 1.00 0.00 C ATOM 1416 CG GLN A 88 -0.680 24.764 -12.054 1.00 0.00 C ATOM 1417 CD GLN A 88 -1.381 25.577 -10.963 1.00 0.00 C ATOM 1418 OE1 GLN A 88 -1.591 25.121 -9.851 1.00 0.00 O ATOM 1419 NE2 GLN A 88 -1.729 26.803 -11.342 1.00 0.00 N ATOM 0 H GLN A 88 -0.364 20.386 -11.539 1.00 0.00 H new ATOM 0 HA GLN A 88 1.009 22.866 -12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.529 22.976 -12.912 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.817 23.147 -11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.400 24.865 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.944 25.160 -13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.523 27.122 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.202 27.425 -10.686 1.00 0.00 H new ATOM 1428 N LYS A 89 -0.459 21.683 -9.467 1.00 0.00 N ATOM 1429 CA LYS A 89 -0.316 21.544 -8.028 1.00 0.00 C ATOM 1430 C LYS A 89 1.129 21.165 -7.697 1.00 0.00 C ATOM 1431 O LYS A 89 1.571 20.059 -8.006 1.00 0.00 O ATOM 1432 CB LYS A 89 -1.350 20.559 -7.479 1.00 0.00 C ATOM 1433 CG LYS A 89 -1.366 19.267 -8.298 1.00 0.00 C ATOM 1434 CD LYS A 89 -2.783 18.932 -8.768 1.00 0.00 C ATOM 1435 CE LYS A 89 -2.780 18.449 -10.219 1.00 0.00 C ATOM 1436 NZ LYS A 89 -3.352 17.087 -10.313 1.00 0.00 N ATOM 0 H LYS A 89 -1.285 21.232 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.519 22.493 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.123 20.331 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.339 21.017 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.708 19.371 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.975 18.446 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.210 18.162 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.418 19.813 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.357 19.136 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.761 18.450 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.343 16.774 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.785 16.432 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.331 17.097 -9.962 1.00 0.00 H new ATOM 1450 N HIS A 90 1.826 22.104 -7.074 1.00 0.00 N ATOM 1451 CA HIS A 90 3.212 21.882 -6.699 1.00 0.00 C ATOM 1452 C HIS A 90 3.288 20.771 -5.650 1.00 0.00 C ATOM 1453 O HIS A 90 2.902 19.634 -5.916 1.00 0.00 O ATOM 1454 CB HIS A 90 3.864 23.185 -6.231 1.00 0.00 C ATOM 1455 CG HIS A 90 5.347 23.072 -5.972 1.00 0.00 C ATOM 1456 ND1 HIS A 90 6.157 24.174 -5.759 1.00 0.00 N ATOM 1457 CD2 HIS A 90 6.157 21.977 -5.893 1.00 0.00 C ATOM 1458 CE1 HIS A 90 7.397 23.750 -5.563 1.00 0.00 C ATOM 1459 NE2 HIS A 90 7.395 22.388 -5.647 1.00 0.00 N ATOM 0 H HIS A 90 1.457 23.020 -6.820 1.00 0.00 H new ATOM 0 HA HIS A 90 3.779 21.552 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.695 23.955 -6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.371 23.518 -5.318 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.844 20.950 -6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.258 24.373 -5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.211 21.785 -5.539 1.00 0.00 H new ATOM 1467 N ARG A 91 3.789 21.140 -4.480 1.00 0.00 N ATOM 1468 CA ARG A 91 3.921 20.188 -3.389 1.00 0.00 C ATOM 1469 C ARG A 91 4.952 19.115 -3.743 1.00 0.00 C ATOM 1470 O ARG A 91 5.994 19.014 -3.096 1.00 0.00 O ATOM 1471 CB ARG A 91 2.581 19.516 -3.080 1.00 0.00 C ATOM 1472 CG ARG A 91 1.873 20.215 -1.918 1.00 0.00 C ATOM 1473 CD ARG A 91 2.239 19.564 -0.582 1.00 0.00 C ATOM 1474 NE ARG A 91 1.019 19.052 0.082 1.00 0.00 N ATOM 1475 CZ ARG A 91 0.966 18.671 1.366 1.00 0.00 C ATOM 1476 NH1 ARG A 91 2.064 18.742 2.131 1.00 0.00 N ATOM 1477 NH2 ARG A 91 -0.184 18.218 1.883 1.00 0.00 N ATOM 0 H ARG A 91 4.108 22.084 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 91 4.251 20.737 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.945 19.540 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.744 18.467 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.149 21.269 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.794 20.170 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.943 18.748 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.736 20.290 0.062 1.00 0.00 H new ATOM 0 HE ARG A 91 0.165 18.985 -0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.939 19.086 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.024 18.452 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.019 18.163 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.225 17.928 2.860 1.00 0.00 H new ATOM 1491 N LEU A 92 4.627 18.341 -4.768 1.00 0.00 N ATOM 1492 CA LEU A 92 5.512 17.280 -5.215 1.00 0.00 C ATOM 1493 C LEU A 92 5.409 17.141 -6.735 1.00 0.00 C ATOM 1494 O LEU A 92 4.309 17.066 -7.281 1.00 0.00 O ATOM 1495 CB LEU A 92 5.219 15.983 -4.457 1.00 0.00 C ATOM 1496 CG LEU A 92 3.753 15.734 -4.097 1.00 0.00 C ATOM 1497 CD1 LEU A 92 2.992 15.134 -5.281 1.00 0.00 C ATOM 1498 CD2 LEU A 92 3.637 14.866 -2.842 1.00 0.00 C ATOM 0 H LEU A 92 3.762 18.428 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 92 6.549 17.528 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.572 15.146 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.804 15.983 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 92 3.289 16.694 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.953 14.967 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.032 15.822 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.448 14.185 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.585 14.704 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.122 13.906 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.122 15.369 -2.005 1.00 0.00 H new ATOM 1510 N THR A 93 6.568 17.111 -7.375 1.00 0.00 N ATOM 1511 CA THR A 93 6.622 16.983 -8.821 1.00 0.00 C ATOM 1512 C THR A 93 7.307 15.673 -9.216 1.00 0.00 C ATOM 1513 O THR A 93 8.268 15.678 -9.983 1.00 0.00 O ATOM 1514 CB THR A 93 7.318 18.225 -9.381 1.00 0.00 C ATOM 1515 OG1 THR A 93 8.701 17.988 -9.136 1.00 0.00 O ATOM 1516 CG2 THR A 93 7.007 19.486 -8.571 1.00 0.00 C ATOM 0 H THR A 93 7.478 17.173 -6.918 1.00 0.00 H new ATOM 0 HA THR A 93 5.621 16.932 -9.250 1.00 0.00 H new ATOM 0 HB THR A 93 7.014 18.375 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.024 17.285 -9.738 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.526 20.338 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.933 19.670 -8.582 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.341 19.349 -7.542 1.00 0.00 H new ATOM 1524 N CYS A 94 6.786 14.583 -8.672 1.00 0.00 N ATOM 1525 CA CYS A 94 7.336 13.268 -8.958 1.00 0.00 C ATOM 1526 C CYS A 94 6.974 12.899 -10.398 1.00 0.00 C ATOM 1527 O CYS A 94 6.020 13.435 -10.959 1.00 0.00 O ATOM 1528 CB CYS A 94 6.843 12.220 -7.959 1.00 0.00 C ATOM 1529 SG CYS A 94 7.563 12.360 -6.282 1.00 0.00 S ATOM 0 H CYS A 94 5.989 14.583 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 94 8.421 13.293 -8.852 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.758 12.295 -7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.067 11.229 -8.354 1.00 0.00 H new ATOM 1534 N PRO A 95 7.775 11.960 -10.969 1.00 0.00 N ATOM 1535 CA PRO A 95 7.549 11.513 -12.333 1.00 0.00 C ATOM 1536 C PRO A 95 6.341 10.577 -12.409 1.00 0.00 C ATOM 1537 O PRO A 95 5.290 10.956 -12.923 1.00 0.00 O ATOM 1538 CB PRO A 95 8.848 10.840 -12.747 1.00 0.00 C ATOM 1539 CG PRO A 95 9.584 10.525 -11.455 1.00 0.00 C ATOM 1540 CD PRO A 95 8.914 11.303 -10.334 1.00 0.00 C ATOM 0 HA PRO A 95 7.307 12.332 -13.010 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.653 9.932 -13.317 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.441 11.495 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.552 9.455 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.635 10.803 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 95 8.592 10.641 -9.530 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.596 12.030 -9.894 1.00 0.00 H new ATOM 1548 N SER A 96 6.532 9.373 -11.891 1.00 0.00 N ATOM 1549 CA SER A 96 5.470 8.380 -11.894 1.00 0.00 C ATOM 1550 C SER A 96 6.054 6.990 -11.634 1.00 0.00 C ATOM 1551 O SER A 96 7.266 6.796 -11.717 1.00 0.00 O ATOM 1552 CB SER A 96 4.706 8.396 -13.220 1.00 0.00 C ATOM 1553 OG SER A 96 3.472 9.100 -13.116 1.00 0.00 O ATOM 0 H SER A 96 7.406 9.062 -11.466 1.00 0.00 H new ATOM 0 HA SER A 96 4.767 8.627 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.324 8.859 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.513 7.372 -13.540 1.00 0.00 H new ATOM 0 HG SER A 96 3.650 10.059 -13.019 1.00 0.00 H new ATOM 1559 N CYS A 97 5.164 6.058 -11.325 1.00 0.00 N ATOM 1560 CA CYS A 97 5.575 4.692 -11.052 1.00 0.00 C ATOM 1561 C CYS A 97 5.505 3.899 -12.359 1.00 0.00 C ATOM 1562 O CYS A 97 4.449 3.382 -12.720 1.00 0.00 O ATOM 1563 CB CYS A 97 4.725 4.054 -9.952 1.00 0.00 C ATOM 1564 SG CYS A 97 5.404 2.502 -9.259 1.00 0.00 S ATOM 0 H CYS A 97 4.160 6.223 -11.258 1.00 0.00 H new ATOM 0 HA CYS A 97 6.599 4.686 -10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.604 4.774 -9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.731 3.853 -10.351 1.00 0.00 H new ATOM 1569 N ASP A 98 6.644 3.828 -13.033 1.00 0.00 N ATOM 1570 CA ASP A 98 6.726 3.107 -14.292 1.00 0.00 C ATOM 1571 C ASP A 98 8.183 2.731 -14.565 1.00 0.00 C ATOM 1572 O ASP A 98 8.475 1.596 -14.939 1.00 0.00 O ATOM 1573 CB ASP A 98 6.234 3.972 -15.454 1.00 0.00 C ATOM 1574 CG ASP A 98 5.828 3.197 -16.710 1.00 0.00 C ATOM 1575 OD1 ASP A 98 6.106 1.979 -16.739 1.00 0.00 O ATOM 1576 OD2 ASP A 98 5.249 3.841 -17.611 1.00 0.00 O ATOM 0 H ASP A 98 7.518 4.258 -12.731 1.00 0.00 H new ATOM 0 HA ASP A 98 6.100 2.218 -14.214 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.380 4.558 -15.115 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.020 4.679 -15.720 1.00 0.00 H new ATOM 1581 N SER A 99 9.059 3.705 -14.369 1.00 0.00 N ATOM 1582 CA SER A 99 10.479 3.490 -14.591 1.00 0.00 C ATOM 1583 C SER A 99 11.043 2.566 -13.509 1.00 0.00 C ATOM 1584 O SER A 99 11.925 2.961 -12.749 1.00 0.00 O ATOM 1585 CB SER A 99 11.241 4.816 -14.606 1.00 0.00 C ATOM 1586 OG SER A 99 12.634 4.629 -14.841 1.00 0.00 O ATOM 0 H SER A 99 8.813 4.645 -14.059 1.00 0.00 H new ATOM 0 HA SER A 99 10.606 3.018 -15.566 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.827 5.463 -15.379 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.099 5.326 -13.653 1.00 0.00 H new ATOM 0 HG SER A 99 13.016 4.080 -14.125 1.00 0.00 H new ATOM 1592 N TYR A 100 10.511 1.353 -13.475 1.00 0.00 N ATOM 1593 CA TYR A 100 10.950 0.370 -12.500 1.00 0.00 C ATOM 1594 C TYR A 100 10.704 -1.052 -13.006 1.00 0.00 C ATOM 1595 O TYR A 100 10.390 -1.252 -14.178 1.00 0.00 O ATOM 1596 CB TYR A 100 10.101 0.608 -11.249 1.00 0.00 C ATOM 1597 CG TYR A 100 10.128 2.052 -10.744 1.00 0.00 C ATOM 1598 CD1 TYR A 100 9.249 2.981 -11.262 1.00 0.00 C ATOM 1599 CD2 TYR A 100 11.033 2.426 -9.771 1.00 0.00 C ATOM 1600 CE1 TYR A 100 9.274 4.340 -10.786 1.00 0.00 C ATOM 1601 CE2 TYR A 100 11.058 3.785 -9.296 1.00 0.00 C ATOM 1602 CZ TYR A 100 10.178 4.675 -9.827 1.00 0.00 C ATOM 1603 OH TYR A 100 10.202 5.958 -9.378 1.00 0.00 O ATOM 0 H TYR A 100 9.779 1.029 -14.108 1.00 0.00 H new ATOM 0 HA TYR A 100 12.018 0.472 -12.306 1.00 0.00 H new ATOM 0 HB2 TYR A 100 9.070 0.328 -11.464 1.00 0.00 H new ATOM 0 HB3 TYR A 100 10.451 -0.051 -10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.542 2.689 -12.025 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.722 1.700 -9.366 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.590 5.076 -11.182 1.00 0.00 H new ATOM 0 HE2 TYR A 100 11.760 4.091 -8.535 1.00 0.00 H new ATOM 0 HH TYR A 100 10.897 6.052 -8.693 1.00 0.00 H new ATOM 1613 N GLU A 101 10.856 -2.004 -12.097 1.00 0.00 N ATOM 1614 CA GLU A 101 10.654 -3.403 -12.436 1.00 0.00 C ATOM 1615 C GLU A 101 9.581 -4.018 -11.535 1.00 0.00 C ATOM 1616 O GLU A 101 9.536 -3.739 -10.338 1.00 0.00 O ATOM 1617 CB GLU A 101 11.965 -4.185 -12.341 1.00 0.00 C ATOM 1618 CG GLU A 101 11.741 -5.669 -12.639 1.00 0.00 C ATOM 1619 CD GLU A 101 12.607 -6.128 -13.814 1.00 0.00 C ATOM 1620 OE1 GLU A 101 12.152 -5.941 -14.963 1.00 0.00 O ATOM 1621 OE2 GLU A 101 13.706 -6.657 -13.536 1.00 0.00 O ATOM 0 H GLU A 101 11.117 -1.834 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 101 10.310 -3.460 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.689 -3.774 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.389 -4.071 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.978 -6.261 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.690 -5.843 -12.867 1.00 0.00 H new ATOM 1628 N LYS A 102 8.744 -4.844 -12.145 1.00 0.00 N ATOM 1629 CA LYS A 102 7.675 -5.501 -11.413 1.00 0.00 C ATOM 1630 C LYS A 102 8.276 -6.336 -10.280 1.00 0.00 C ATOM 1631 O LYS A 102 9.486 -6.307 -10.058 1.00 0.00 O ATOM 1632 CB LYS A 102 6.788 -6.305 -12.366 1.00 0.00 C ATOM 1633 CG LYS A 102 5.619 -5.459 -12.872 1.00 0.00 C ATOM 1634 CD LYS A 102 6.056 -4.553 -14.025 1.00 0.00 C ATOM 1635 CE LYS A 102 6.592 -3.219 -13.502 1.00 0.00 C ATOM 1636 NZ LYS A 102 6.105 -2.101 -14.339 1.00 0.00 N ATOM 0 H LYS A 102 8.785 -5.073 -13.138 1.00 0.00 H new ATOM 0 HA LYS A 102 7.020 -4.762 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.380 -6.656 -13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.407 -7.189 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.811 -6.111 -13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.225 -4.852 -12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.826 -5.053 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.212 -4.374 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.275 -3.073 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.682 -3.233 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.478 -1.203 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.428 -2.234 -15.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.065 -2.079 -14.318 1.00 0.00 H new ATOM 1650 N LYS A 103 7.404 -7.060 -9.594 1.00 0.00 N ATOM 1651 CA LYS A 103 7.834 -7.902 -8.491 1.00 0.00 C ATOM 1652 C LYS A 103 6.710 -8.874 -8.128 1.00 0.00 C ATOM 1653 O LYS A 103 5.602 -8.771 -8.653 1.00 0.00 O ATOM 1654 CB LYS A 103 8.309 -7.044 -7.316 1.00 0.00 C ATOM 1655 CG LYS A 103 9.822 -7.165 -7.124 1.00 0.00 C ATOM 1656 CD LYS A 103 10.252 -6.581 -5.777 1.00 0.00 C ATOM 1657 CE LYS A 103 10.928 -5.221 -5.960 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.853 -4.947 -4.837 1.00 0.00 N ATOM 0 H LYS A 103 6.401 -7.081 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 103 8.694 -8.504 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.044 -6.002 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.797 -7.354 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.117 -8.213 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.337 -6.645 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.382 -6.475 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.937 -7.268 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.476 -5.204 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.173 -4.437 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.304 -4.020 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.322 -4.943 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.584 -5.686 -4.802 1.00 0.00 H new ATOM 1672 N PRO A 104 7.042 -9.819 -7.209 1.00 0.00 N ATOM 1673 CA PRO A 104 6.073 -10.809 -6.769 1.00 0.00 C ATOM 1674 C PRO A 104 5.051 -10.189 -5.814 1.00 0.00 C ATOM 1675 O PRO A 104 5.184 -9.031 -5.423 1.00 0.00 O ATOM 1676 CB PRO A 104 6.899 -11.909 -6.124 1.00 0.00 C ATOM 1677 CG PRO A 104 8.249 -11.287 -5.810 1.00 0.00 C ATOM 1678 CD PRO A 104 8.344 -9.972 -6.566 1.00 0.00 C ATOM 0 HA PRO A 104 5.476 -11.208 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.419 -12.278 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.008 -12.760 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.352 -11.119 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.056 -11.957 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.552 -9.142 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.148 -9.995 -7.301 1.00 0.00 H new ATOM 1686 N PRO A 105 4.028 -11.010 -5.455 1.00 0.00 N ATOM 1687 CA PRO A 105 2.984 -10.555 -4.552 1.00 0.00 C ATOM 1688 C PRO A 105 3.492 -10.501 -3.110 1.00 0.00 C ATOM 1689 O PRO A 105 3.297 -9.504 -2.416 1.00 0.00 O ATOM 1690 CB PRO A 105 1.842 -11.539 -4.744 1.00 0.00 C ATOM 1691 CG PRO A 105 2.455 -12.768 -5.394 1.00 0.00 C ATOM 1692 CD PRO A 105 3.837 -12.388 -5.898 1.00 0.00 C ATOM 0 HA PRO A 105 2.655 -9.538 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.380 -11.792 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.061 -11.113 -5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.522 -13.586 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.831 -13.116 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.603 -13.046 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.898 -12.467 -6.983 1.00 0.00 H new ATOM 1700 N LYS A 106 4.133 -11.586 -2.701 1.00 0.00 N ATOM 1701 CA LYS A 106 4.670 -11.675 -1.354 1.00 0.00 C ATOM 1702 C LYS A 106 5.492 -10.420 -1.054 1.00 0.00 C ATOM 1703 O LYS A 106 5.379 -9.844 0.027 1.00 0.00 O ATOM 1704 CB LYS A 106 5.451 -12.978 -1.174 1.00 0.00 C ATOM 1705 CG LYS A 106 6.428 -13.197 -2.330 1.00 0.00 C ATOM 1706 CD LYS A 106 6.237 -14.580 -2.956 1.00 0.00 C ATOM 1707 CE LYS A 106 6.903 -15.664 -2.105 1.00 0.00 C ATOM 1708 NZ LYS A 106 5.988 -16.812 -1.920 1.00 0.00 N ATOM 0 H LYS A 106 4.293 -12.411 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 106 3.862 -11.710 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.998 -12.951 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.757 -13.817 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.279 -12.427 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.452 -13.095 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 106 5.173 -14.794 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.660 -14.590 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.823 -15.998 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.181 -15.253 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.455 -17.538 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.122 -16.492 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.743 -17.214 -2.847 1.00 0.00 H new ATOM 1722 N GLU A 107 6.300 -10.032 -2.029 1.00 0.00 N ATOM 1723 CA GLU A 107 7.140 -8.856 -1.882 1.00 0.00 C ATOM 1724 C GLU A 107 6.308 -7.584 -2.057 1.00 0.00 C ATOM 1725 O GLU A 107 6.365 -6.681 -1.224 1.00 0.00 O ATOM 1726 CB GLU A 107 8.306 -8.888 -2.872 1.00 0.00 C ATOM 1727 CG GLU A 107 9.401 -9.847 -2.399 1.00 0.00 C ATOM 1728 CD GLU A 107 10.769 -9.163 -2.404 1.00 0.00 C ATOM 1729 OE1 GLU A 107 11.022 -8.406 -3.366 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.531 -9.412 -1.444 1.00 0.00 O ATOM 0 H GLU A 107 6.391 -10.512 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 107 7.560 -8.857 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.946 -9.197 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.719 -7.886 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.171 -10.200 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.426 -10.723 -3.047 1.00 0.00 H new ATOM 1737 N PHE A 108 5.553 -7.554 -3.146 1.00 0.00 N ATOM 1738 CA PHE A 108 4.710 -6.407 -3.440 1.00 0.00 C ATOM 1739 C PHE A 108 3.880 -6.009 -2.218 1.00 0.00 C ATOM 1740 O PHE A 108 3.637 -4.825 -1.988 1.00 0.00 O ATOM 1741 CB PHE A 108 3.766 -6.825 -4.569 1.00 0.00 C ATOM 1742 CG PHE A 108 2.635 -5.829 -4.835 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.920 -4.588 -5.312 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.345 -6.185 -4.594 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.871 -3.664 -5.559 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.295 -5.261 -4.841 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.581 -4.020 -5.318 1.00 0.00 C ATOM 0 H PHE A 108 5.508 -8.305 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 108 5.327 -5.553 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.345 -6.955 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.332 -7.795 -4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.945 -4.305 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.119 -7.171 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.097 -2.678 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.730 -5.544 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.217 -3.317 -5.506 1.00 0.00 H new ATOM 1757 N LEU A 109 3.468 -7.020 -1.467 1.00 0.00 N ATOM 1758 CA LEU A 109 2.671 -6.790 -0.275 1.00 0.00 C ATOM 1759 C LEU A 109 3.590 -6.383 0.878 1.00 0.00 C ATOM 1760 O LEU A 109 3.365 -5.361 1.525 1.00 0.00 O ATOM 1761 CB LEU A 109 1.803 -8.012 0.033 1.00 0.00 C ATOM 1762 CG LEU A 109 0.458 -8.080 -0.694 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.247 -6.722 -0.670 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.631 -8.611 -2.118 1.00 0.00 C ATOM 0 H LEU A 109 3.672 -8.000 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 109 1.976 -5.966 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.372 -8.908 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.615 -8.038 1.106 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.182 -8.785 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.200 -6.798 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.423 -6.422 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.379 -5.978 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.340 -8.649 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.296 -7.950 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.060 -9.612 -2.083 1.00 0.00 H new ATOM 1776 N GLU A 110 4.607 -7.203 1.100 1.00 0.00 N ATOM 1777 CA GLU A 110 5.562 -6.941 2.163 1.00 0.00 C ATOM 1778 C GLU A 110 6.163 -5.543 2.004 1.00 0.00 C ATOM 1779 O GLU A 110 6.530 -4.905 2.990 1.00 0.00 O ATOM 1780 CB GLU A 110 6.658 -8.008 2.192 1.00 0.00 C ATOM 1781 CG GLU A 110 7.434 -7.962 3.509 1.00 0.00 C ATOM 1782 CD GLU A 110 8.494 -9.065 3.560 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.108 -10.233 3.339 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.665 -8.714 3.820 1.00 0.00 O ATOM 0 H GLU A 110 4.790 -8.050 0.561 1.00 0.00 H new ATOM 0 HA GLU A 110 5.035 -6.983 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.213 -8.995 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.342 -7.854 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.911 -6.988 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.745 -8.076 4.346 1.00 0.00 H new ATOM 1791 N ARG A 111 6.245 -5.107 0.756 1.00 0.00 N ATOM 1792 CA ARG A 111 6.794 -3.796 0.455 1.00 0.00 C ATOM 1793 C ARG A 111 5.725 -2.717 0.637 1.00 0.00 C ATOM 1794 O ARG A 111 5.956 -1.715 1.312 1.00 0.00 O ATOM 1795 CB ARG A 111 7.330 -3.738 -0.977 1.00 0.00 C ATOM 1796 CG ARG A 111 7.967 -2.378 -1.269 1.00 0.00 C ATOM 1797 CD ARG A 111 9.494 -2.473 -1.251 1.00 0.00 C ATOM 1798 NE ARG A 111 10.046 -1.545 -0.239 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.353 -1.292 -0.086 1.00 0.00 C ATOM 1800 NH1 ARG A 111 12.250 -1.896 -0.878 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.763 -0.435 0.859 1.00 0.00 N ATOM 0 H ARG A 111 5.940 -5.639 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 111 7.617 -3.616 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.066 -4.528 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.518 -3.922 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.633 -2.017 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.635 -1.650 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.801 -3.494 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.894 -2.230 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 111 9.391 -1.068 0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.938 -2.548 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.245 -1.703 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.080 0.025 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.758 -0.242 0.976 1.00 0.00 H new ATOM 1815 N PHE A 112 4.576 -2.959 0.022 1.00 0.00 N ATOM 1816 CA PHE A 112 3.470 -2.020 0.107 1.00 0.00 C ATOM 1817 C PHE A 112 3.152 -1.678 1.564 1.00 0.00 C ATOM 1818 O PHE A 112 3.229 -0.517 1.964 1.00 0.00 O ATOM 1819 CB PHE A 112 2.254 -2.704 -0.521 1.00 0.00 C ATOM 1820 CG PHE A 112 0.972 -1.870 -0.464 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.014 -0.540 -0.743 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.208 -2.459 -0.135 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.175 0.234 -0.690 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.398 -1.685 -0.082 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.356 -0.355 -0.361 1.00 0.00 C ATOM 0 H PHE A 112 4.387 -3.791 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 112 3.727 -1.094 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.478 -2.936 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.081 -3.653 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.952 -0.072 -1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.241 -3.516 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.142 1.291 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.336 -2.153 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.260 0.234 -0.321 1.00 0.00 H new ATOM 1835 N LYS A 113 2.802 -2.710 2.318 1.00 0.00 N ATOM 1836 CA LYS A 113 2.472 -2.533 3.722 1.00 0.00 C ATOM 1837 C LYS A 113 3.513 -1.622 4.375 1.00 0.00 C ATOM 1838 O LYS A 113 3.165 -0.607 4.976 1.00 0.00 O ATOM 1839 CB LYS A 113 2.323 -3.890 4.412 1.00 0.00 C ATOM 1840 CG LYS A 113 2.195 -3.724 5.928 1.00 0.00 C ATOM 1841 CD LYS A 113 3.115 -4.698 6.666 1.00 0.00 C ATOM 1842 CE LYS A 113 4.541 -4.148 6.751 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.133 -4.445 8.075 1.00 0.00 N ATOM 0 H LYS A 113 2.740 -3.671 1.983 1.00 0.00 H new ATOM 0 HA LYS A 113 1.506 -2.040 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.444 -4.405 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.186 -4.515 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.444 -2.700 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.162 -3.895 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.730 -4.878 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.122 -5.659 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.154 -4.588 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.532 -3.071 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.100 -4.065 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.556 -4.004 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.159 -5.474 8.221 1.00 0.00 H new ATOM 1857 N SER A 114 4.770 -2.017 4.235 1.00 0.00 N ATOM 1858 CA SER A 114 5.864 -1.249 4.804 1.00 0.00 C ATOM 1859 C SER A 114 5.851 0.174 4.243 1.00 0.00 C ATOM 1860 O SER A 114 5.604 1.132 4.975 1.00 0.00 O ATOM 1861 CB SER A 114 7.211 -1.918 4.524 1.00 0.00 C ATOM 1862 OG SER A 114 7.576 -2.835 5.552 1.00 0.00 O ATOM 0 H SER A 114 5.055 -2.859 3.735 1.00 0.00 H new ATOM 0 HA SER A 114 5.727 -1.208 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.164 -2.443 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.982 -1.154 4.429 1.00 0.00 H new ATOM 0 HG SER A 114 8.441 -3.242 5.335 1.00 0.00 H new ATOM 1868 N LEU A 115 6.120 0.268 2.949 1.00 0.00 N ATOM 1869 CA LEU A 115 6.143 1.559 2.281 1.00 0.00 C ATOM 1870 C LEU A 115 4.943 2.389 2.744 1.00 0.00 C ATOM 1871 O LEU A 115 5.054 3.601 2.920 1.00 0.00 O ATOM 1872 CB LEU A 115 6.215 1.376 0.764 1.00 0.00 C ATOM 1873 CG LEU A 115 6.588 2.620 -0.044 1.00 0.00 C ATOM 1874 CD1 LEU A 115 7.424 3.589 0.794 1.00 0.00 C ATOM 1875 CD2 LEU A 115 7.291 2.237 -1.348 1.00 0.00 C ATOM 0 H LEU A 115 6.324 -0.528 2.345 1.00 0.00 H new ATOM 0 HA LEU A 115 7.040 2.114 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.942 0.594 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.247 1.017 0.415 1.00 0.00 H new ATOM 0 HG LEU A 115 5.668 3.139 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.675 4.464 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.853 3.900 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.340 3.094 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.545 3.140 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.201 1.682 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.628 1.616 -1.950 1.00 0.00 H new ATOM 1887 N LEU A 116 3.825 1.702 2.928 1.00 0.00 N ATOM 1888 CA LEU A 116 2.607 2.361 3.367 1.00 0.00 C ATOM 1889 C LEU A 116 2.745 2.752 4.840 1.00 0.00 C ATOM 1890 O LEU A 116 2.450 3.886 5.215 1.00 0.00 O ATOM 1891 CB LEU A 116 1.388 1.482 3.076 1.00 0.00 C ATOM 1892 CG LEU A 116 0.158 1.731 3.951 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.280 1.002 5.290 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.090 3.230 4.135 1.00 0.00 C ATOM 0 H LEU A 116 3.737 0.696 2.781 1.00 0.00 H new ATOM 0 HA LEU A 116 2.449 3.282 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.103 1.624 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.683 0.438 3.186 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.713 1.321 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.608 1.196 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.372 -0.070 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.163 1.359 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.970 3.379 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.777 3.686 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.254 3.694 3.162 1.00 0.00 H new ATOM 1906 N GLN A 117 3.195 1.792 5.634 1.00 0.00 N ATOM 1907 CA GLN A 117 3.376 2.022 7.057 1.00 0.00 C ATOM 1908 C GLN A 117 4.651 2.831 7.306 1.00 0.00 C ATOM 1909 O GLN A 117 4.997 3.115 8.452 1.00 0.00 O ATOM 1910 CB GLN A 117 3.407 0.700 7.827 1.00 0.00 C ATOM 1911 CG GLN A 117 4.834 0.157 7.929 1.00 0.00 C ATOM 1912 CD GLN A 117 5.506 0.621 9.223 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.025 0.389 10.320 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.641 1.289 9.034 1.00 0.00 N ATOM 0 H GLN A 117 3.440 0.853 5.319 1.00 0.00 H new ATOM 0 HA GLN A 117 2.526 2.598 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.998 0.848 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.771 -0.031 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.816 -0.932 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.417 0.493 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.988 1.448 8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.165 1.642 9.835 1.00 0.00 H new ATOM 1923 N LYS A 118 5.315 3.179 6.214 1.00 0.00 N ATOM 1924 CA LYS A 118 6.544 3.949 6.299 1.00 0.00 C ATOM 1925 C LYS A 118 6.225 5.433 6.108 1.00 0.00 C ATOM 1926 O LYS A 118 6.538 6.255 6.968 1.00 0.00 O ATOM 1927 CB LYS A 118 7.583 3.412 5.313 1.00 0.00 C ATOM 1928 CG LYS A 118 9.001 3.589 5.859 1.00 0.00 C ATOM 1929 CD LYS A 118 9.847 2.340 5.604 1.00 0.00 C ATOM 1930 CE LYS A 118 10.086 1.565 6.902 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.118 0.524 6.701 1.00 0.00 N ATOM 0 H LYS A 118 5.025 2.942 5.265 1.00 0.00 H new ATOM 0 HA LYS A 118 6.992 3.843 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.394 2.356 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.489 3.933 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.470 4.453 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.960 3.792 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.345 1.698 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.803 2.627 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.401 2.250 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.156 1.104 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.268 0.008 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.803 -0.139 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 12.009 0.971 6.406 1.00 0.00 H new ATOM 1945 N MET A 119 5.606 5.731 4.975 1.00 0.00 N ATOM 1946 CA MET A 119 5.241 7.102 4.659 1.00 0.00 C ATOM 1947 C MET A 119 3.926 7.489 5.338 1.00 0.00 C ATOM 1948 O MET A 119 3.922 8.251 6.303 1.00 0.00 O ATOM 1949 CB MET A 119 5.099 7.257 3.144 1.00 0.00 C ATOM 1950 CG MET A 119 5.993 8.384 2.622 1.00 0.00 C ATOM 1951 SD MET A 119 7.649 7.773 2.351 1.00 0.00 S ATOM 1952 CE MET A 119 8.574 9.285 2.558 1.00 0.00 C ATOM 0 H MET A 119 5.348 5.046 4.264 1.00 0.00 H new ATOM 0 HA MET A 119 6.027 7.762 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.364 6.321 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.059 7.466 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 119 5.586 8.781 1.692 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.012 9.206 3.338 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.227 9.432 1.698 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.884 10.125 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.176 9.222 3.465 1.00 0.00 H new ATOM 1962 N ILE A 120 2.841 6.946 4.806 1.00 0.00 N ATOM 1963 CA ILE A 120 1.522 7.225 5.348 1.00 0.00 C ATOM 1964 C ILE A 120 1.592 7.220 6.877 1.00 0.00 C ATOM 1965 O ILE A 120 0.893 7.987 7.536 1.00 0.00 O ATOM 1966 CB ILE A 120 0.490 6.250 4.777 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.046 6.679 3.377 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.696 6.085 5.729 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.254 6.967 2.483 1.00 0.00 C ATOM 0 H ILE A 120 2.848 6.314 4.005 1.00 0.00 H new ATOM 0 HA ILE A 120 1.189 8.218 5.046 1.00 0.00 H new ATOM 0 HB ILE A 120 0.962 5.272 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.564 5.895 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.580 7.569 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.414 5.387 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.344 5.699 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.177 7.051 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.911 7.270 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.849 7.768 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.865 6.068 2.396 1.00 0.00 H new ATOM 1981 N HIS A 121 2.442 6.346 7.395 1.00 0.00 N ATOM 1982 CA HIS A 121 2.613 6.231 8.834 1.00 0.00 C ATOM 1983 C HIS A 121 3.317 7.480 9.368 1.00 0.00 C ATOM 1984 O HIS A 121 2.705 8.294 10.058 1.00 0.00 O ATOM 1985 CB HIS A 121 3.347 4.937 9.192 1.00 0.00 C ATOM 1986 CG HIS A 121 3.038 4.420 10.577 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.612 4.950 11.720 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.211 3.417 10.990 1.00 0.00 C ATOM 1989 CE1 HIS A 121 3.144 4.287 12.768 1.00 0.00 C ATOM 1990 NE2 HIS A 121 2.277 3.338 12.313 1.00 0.00 N ATOM 0 H HIS A 121 3.020 5.711 6.845 1.00 0.00 H new ATOM 0 HA HIS A 121 1.638 6.172 9.317 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.087 4.170 8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.421 5.105 9.109 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.605 2.793 10.349 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.404 4.467 13.801 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.763 2.676 12.894 1.00 0.00 H new ATOM 1998 N GLN A 122 4.593 7.591 9.030 1.00 0.00 N ATOM 1999 CA GLN A 122 5.387 8.727 9.467 1.00 0.00 C ATOM 2000 C GLN A 122 4.646 10.034 9.181 1.00 0.00 C ATOM 2001 O GLN A 122 4.796 11.010 9.915 1.00 0.00 O ATOM 2002 CB GLN A 122 6.765 8.721 8.803 1.00 0.00 C ATOM 2003 CG GLN A 122 6.653 9.015 7.306 1.00 0.00 C ATOM 2004 CD GLN A 122 8.019 8.919 6.624 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.569 9.894 6.138 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.535 7.693 6.616 1.00 0.00 N ATOM 0 H GLN A 122 5.097 6.913 8.459 1.00 0.00 H new ATOM 0 HA GLN A 122 5.539 8.646 10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.404 9.466 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.240 7.752 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.962 8.310 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.238 10.012 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.022 6.921 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.444 7.525 6.185 1.00 0.00 H new ATOM 2015 N HIS A 123 3.862 10.012 8.113 1.00 0.00 N ATOM 2016 CA HIS A 123 3.097 11.183 7.721 1.00 0.00 C ATOM 2017 C HIS A 123 2.432 11.798 8.954 1.00 0.00 C ATOM 2018 O HIS A 123 2.516 13.006 9.172 1.00 0.00 O ATOM 2019 CB HIS A 123 2.095 10.834 6.619 1.00 0.00 C ATOM 2020 CG HIS A 123 0.825 11.649 6.663 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -0.408 11.137 6.298 1.00 0.00 N ATOM 2022 CD2 HIS A 123 0.609 12.944 7.033 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -1.317 12.090 6.445 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -0.684 13.209 6.900 1.00 0.00 N ATOM 0 H HIS A 123 3.740 9.201 7.507 1.00 0.00 H new ATOM 0 HA HIS A 123 3.765 11.934 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 123 2.573 10.976 5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.839 9.777 6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.363 13.637 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -2.373 11.997 6.240 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -1.131 14.103 7.104 1.00 0.00 H new ATOM 2032 N LEU A 124 1.786 10.939 9.729 1.00 0.00 N ATOM 2033 CA LEU A 124 1.107 11.382 10.934 1.00 0.00 C ATOM 2034 C LEU A 124 2.147 11.789 11.980 1.00 0.00 C ATOM 2035 O LEU A 124 2.103 12.900 12.505 1.00 0.00 O ATOM 2036 CB LEU A 124 0.129 10.312 11.423 1.00 0.00 C ATOM 2037 CG LEU A 124 -0.727 10.688 12.634 1.00 0.00 C ATOM 2038 CD1 LEU A 124 0.151 11.078 13.826 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -1.730 11.787 12.277 1.00 0.00 C ATOM 0 H LEU A 124 1.719 9.938 9.545 1.00 0.00 H new ATOM 0 HA LEU A 124 0.501 12.264 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.536 10.053 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.697 9.415 11.669 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.303 9.811 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.482 11.341 14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.790 10.238 14.097 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.771 11.933 13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.326 12.035 13.155 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.193 12.674 11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.387 11.436 11.481 1.00 0.00 H new ATOM 2051 N SER A 125 3.058 10.866 12.252 1.00 0.00 N ATOM 2052 CA SER A 125 4.108 11.114 13.225 1.00 0.00 C ATOM 2053 C SER A 125 5.455 10.644 12.674 1.00 0.00 C ATOM 2054 O SER A 125 5.700 9.444 12.563 1.00 0.00 O ATOM 2055 CB SER A 125 3.804 10.416 14.552 1.00 0.00 C ATOM 2056 OG SER A 125 3.717 11.339 15.634 1.00 0.00 O ATOM 0 H SER A 125 3.091 9.945 11.815 1.00 0.00 H new ATOM 0 HA SER A 125 4.155 12.187 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.865 9.868 14.467 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.583 9.683 14.763 1.00 0.00 H new ATOM 0 HG SER A 125 3.520 10.854 16.463 1.00 0.00 H new ATOM 2062 N SER A 126 6.294 11.615 12.343 1.00 0.00 N ATOM 2063 CA SER A 126 7.611 11.315 11.806 1.00 0.00 C ATOM 2064 C SER A 126 8.664 11.425 12.911 1.00 0.00 C ATOM 2065 O SER A 126 8.395 11.974 13.978 1.00 0.00 O ATOM 2066 CB SER A 126 7.958 12.251 10.647 1.00 0.00 C ATOM 2067 OG SER A 126 8.704 11.587 9.630 1.00 0.00 O ATOM 0 H SER A 126 6.088 12.610 12.436 1.00 0.00 H new ATOM 0 HA SER A 126 7.601 10.294 11.423 1.00 0.00 H new ATOM 0 HB2 SER A 126 7.040 12.654 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.532 13.097 11.024 1.00 0.00 H new ATOM 0 HG SER A 126 8.905 12.217 8.907 1.00 0.00 H new ATOM 2073 N ARG A 127 9.841 10.893 12.616 1.00 0.00 N ATOM 2074 CA ARG A 127 10.936 10.924 13.571 1.00 0.00 C ATOM 2075 C ARG A 127 12.269 10.689 12.858 1.00 0.00 C ATOM 2076 O ARG A 127 12.692 9.548 12.684 1.00 0.00 O ATOM 2077 CB ARG A 127 10.751 9.860 14.655 1.00 0.00 C ATOM 2078 CG ARG A 127 11.052 10.432 16.042 1.00 0.00 C ATOM 2079 CD ARG A 127 12.080 9.572 16.780 1.00 0.00 C ATOM 2080 NE ARG A 127 13.449 9.965 16.379 1.00 0.00 N ATOM 2081 CZ ARG A 127 14.563 9.533 16.986 1.00 0.00 C ATOM 2082 NH1 ARG A 127 14.476 8.692 18.025 1.00 0.00 N ATOM 2083 NH2 ARG A 127 15.763 9.942 16.554 1.00 0.00 N ATOM 0 H ARG A 127 10.060 10.438 11.730 1.00 0.00 H new ATOM 0 HA ARG A 127 10.939 11.908 14.040 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.729 9.482 14.628 1.00 0.00 H new ATOM 0 HB3 ARG A 127 11.409 9.014 14.456 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.428 11.451 15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.132 10.485 16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.959 9.690 17.857 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.914 8.519 16.554 1.00 0.00 H new ATOM 0 HE ARG A 127 13.551 10.605 15.591 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.562 8.381 18.354 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.324 8.363 18.487 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.829 10.582 15.763 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.611 9.613 17.016 1.00 0.00 H new ATOM 2097 N THR A 128 12.894 11.789 12.464 1.00 0.00 N ATOM 2098 CA THR A 128 14.171 11.718 11.774 1.00 0.00 C ATOM 2099 C THR A 128 14.134 10.634 10.695 1.00 0.00 C ATOM 2100 O THR A 128 13.062 10.159 10.324 1.00 0.00 O ATOM 2101 CB THR A 128 15.263 11.496 12.822 1.00 0.00 C ATOM 2102 OG1 THR A 128 14.845 10.323 13.515 1.00 0.00 O ATOM 2103 CG2 THR A 128 15.272 12.583 13.898 1.00 0.00 C ATOM 0 H THR A 128 12.540 12.734 12.609 1.00 0.00 H new ATOM 0 HA THR A 128 14.389 12.648 11.249 1.00 0.00 H new ATOM 0 HB THR A 128 16.236 11.464 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 128 14.296 9.770 12.921 1.00 0.00 H new ATOM 0 HG21 THR A 128 16.066 12.377 14.616 1.00 0.00 H new ATOM 0 HG22 THR A 128 15.446 13.554 13.433 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.311 12.594 14.412 1.00 0.00 H new ATOM 2111 N HIS A 129 15.318 10.274 10.222 1.00 0.00 N ATOM 2112 CA HIS A 129 15.435 9.255 9.193 1.00 0.00 C ATOM 2113 C HIS A 129 14.707 9.716 7.929 1.00 0.00 C ATOM 2114 O HIS A 129 13.488 9.882 7.935 1.00 0.00 O ATOM 2115 CB HIS A 129 14.932 7.904 9.707 1.00 0.00 C ATOM 2116 CG HIS A 129 16.031 6.909 9.994 1.00 0.00 C ATOM 2117 ND1 HIS A 129 17.252 7.275 10.531 1.00 0.00 N ATOM 2118 CD2 HIS A 129 16.078 5.557 9.814 1.00 0.00 C ATOM 2119 CE1 HIS A 129 17.995 6.185 10.663 1.00 0.00 C ATOM 2120 NE2 HIS A 129 17.265 5.122 10.218 1.00 0.00 N ATOM 0 H HIS A 129 16.205 10.670 10.533 1.00 0.00 H new ATOM 0 HA HIS A 129 16.484 9.113 8.935 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.355 8.065 10.617 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.252 7.477 8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.284 4.945 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 129 19.001 6.146 11.054 1.00 0.00 H new ATOM 0 HE2 HIS A 129 17.580 4.152 10.199 1.00 0.00 H new ATOM 2128 N GLY A 130 15.485 9.910 6.874 1.00 0.00 N ATOM 2129 CA GLY A 130 14.930 10.348 5.605 1.00 0.00 C ATOM 2130 C GLY A 130 15.848 11.368 4.929 1.00 0.00 C ATOM 2131 O GLY A 130 15.647 12.574 5.062 1.00 0.00 O ATOM 0 H GLY A 130 16.496 9.772 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 130 14.790 9.489 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 130 13.947 10.789 5.767 1.00 0.00 H new ATOM 2135 N SER A 131 16.837 10.846 4.217 1.00 0.00 N ATOM 2136 CA SER A 131 17.786 11.696 3.519 1.00 0.00 C ATOM 2137 C SER A 131 18.541 10.883 2.465 1.00 0.00 C ATOM 2138 O SER A 131 19.317 9.991 2.803 1.00 0.00 O ATOM 2139 CB SER A 131 18.771 12.341 4.497 1.00 0.00 C ATOM 2140 OG SER A 131 19.387 11.377 5.347 1.00 0.00 O ATOM 0 H SER A 131 17.001 9.845 4.109 1.00 0.00 H new ATOM 0 HA SER A 131 17.231 12.493 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.539 12.875 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 131 18.248 13.079 5.105 1.00 0.00 H new ATOM 0 HG SER A 131 19.633 10.587 4.821 1.00 0.00 H new ATOM 2146 N GLU A 132 18.286 11.220 1.210 1.00 0.00 N ATOM 2147 CA GLU A 132 18.931 10.532 0.105 1.00 0.00 C ATOM 2148 C GLU A 132 18.503 11.150 -1.228 1.00 0.00 C ATOM 2149 O GLU A 132 17.628 10.618 -1.910 1.00 0.00 O ATOM 2150 CB GLU A 132 18.625 9.034 0.138 1.00 0.00 C ATOM 2151 CG GLU A 132 19.711 8.236 -0.589 1.00 0.00 C ATOM 2152 CD GLU A 132 20.244 7.106 0.294 1.00 0.00 C ATOM 2153 OE1 GLU A 132 20.831 7.436 1.346 1.00 0.00 O ATOM 2154 OE2 GLU A 132 20.052 5.936 -0.104 1.00 0.00 O ATOM 0 H GLU A 132 17.641 11.961 0.934 1.00 0.00 H new ATOM 0 HA GLU A 132 20.009 10.651 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 132 18.552 8.697 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 132 17.658 8.846 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.306 7.821 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.529 8.900 -0.870 1.00 0.00 H new ATOM 2161 N ASP A 133 19.139 12.265 -1.559 1.00 0.00 N ATOM 2162 CA ASP A 133 18.834 12.960 -2.798 1.00 0.00 C ATOM 2163 C ASP A 133 19.714 14.207 -2.907 1.00 0.00 C ATOM 2164 O ASP A 133 20.165 14.743 -1.896 1.00 0.00 O ATOM 2165 CB ASP A 133 17.372 13.409 -2.832 1.00 0.00 C ATOM 2166 CG ASP A 133 16.973 14.219 -4.067 1.00 0.00 C ATOM 2167 OD1 ASP A 133 17.223 13.714 -5.183 1.00 0.00 O ATOM 2168 OD2 ASP A 133 16.427 15.326 -3.868 1.00 0.00 O ATOM 0 H ASP A 133 19.864 12.704 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 133 19.020 12.274 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 133 16.735 12.526 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.170 14.007 -1.943 1.00 0.00 H new ATOM 2173 N SER A 134 19.932 14.632 -4.143 1.00 0.00 N ATOM 2174 CA SER A 134 20.750 15.806 -4.397 1.00 0.00 C ATOM 2175 C SER A 134 20.037 17.060 -3.889 1.00 0.00 C ATOM 2176 O SER A 134 20.684 18.027 -3.489 1.00 0.00 O ATOM 2177 CB SER A 134 21.068 15.943 -5.887 1.00 0.00 C ATOM 2178 OG SER A 134 22.466 15.846 -6.146 1.00 0.00 O ATOM 0 H SER A 134 19.557 14.185 -4.979 1.00 0.00 H new ATOM 0 HA SER A 134 21.692 15.689 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 134 20.542 15.167 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 134 20.698 16.902 -6.250 1.00 0.00 H new ATOM 0 HG SER A 134 22.627 15.937 -7.108 1.00 0.00 H new TER 2184 SER A 134