USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -113:sc= 0.212 (180deg=-0.192) USER MOD Set 2.2: A 66 THR OG1 : rot 140:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot -123:sc= 0.00278 USER MOD Set 3.2: A 56 SER OG : rot -98:sc= 0.19 USER MOD Set 4.1: A 7 ASN :FLIP amide:sc= 0.351 X(o=0.51,f=0.68) USER MOD Set 4.2: A 67 ASN : amide:sc= 0.328 X(o=0.68,f=0.51) USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00983 (180deg=-0.00983) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -164:sc= 1.34 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 0.442 (180deg=0.0755) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -33:sc= 0.665 USER MOD Single : A 34 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.055) USER MOD Single : A 37 THR OG1 : rot -163:sc= -0.542 USER MOD Single : A 38 GLN : amide:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.971 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 65 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.0028) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.722 5.899 5.927 1.00 0.92 N ATOM 2 CA MET A 1 9.805 4.751 5.663 1.00 0.55 C ATOM 3 C MET A 1 8.457 4.997 6.353 1.00 0.50 C ATOM 4 O MET A 1 8.400 5.375 7.510 1.00 0.68 O ATOM 5 CB MET A 1 10.430 3.458 6.201 1.00 0.76 C ATOM 6 CG MET A 1 9.911 2.263 5.396 1.00 0.85 C ATOM 7 SD MET A 1 10.585 0.729 6.085 1.00 1.31 S ATOM 8 CE MET A 1 10.885 -0.111 4.509 1.00 1.49 C ATOM 0 H1 MET A 1 11.635 5.729 5.458 1.00 0.92 H new ATOM 0 H2 MET A 1 10.299 6.774 5.556 1.00 0.92 H new ATOM 0 H3 MET A 1 10.872 5.995 6.952 1.00 0.92 H new ATOM 0 HA MET A 1 9.648 4.656 4.589 1.00 0.55 H new ATOM 0 HB2 MET A 1 11.517 3.511 6.132 1.00 0.76 H new ATOM 0 HB3 MET A 1 10.183 3.334 7.255 1.00 0.76 H new ATOM 0 HG2 MET A 1 8.822 2.238 5.424 1.00 0.85 H new ATOM 0 HG3 MET A 1 10.201 2.362 4.350 1.00 0.85 H new ATOM 0 HE1 MET A 1 11.309 -1.097 4.697 1.00 1.49 H new ATOM 0 HE2 MET A 1 9.944 -0.218 3.969 1.00 1.49 H new ATOM 0 HE3 MET A 1 11.582 0.476 3.911 1.00 1.49 H new ATOM 18 N ILE A 2 7.372 4.780 5.645 1.00 0.32 N ATOM 19 CA ILE A 2 6.015 4.995 6.241 1.00 0.28 C ATOM 20 C ILE A 2 5.207 3.691 6.186 1.00 0.25 C ATOM 21 O ILE A 2 5.528 2.780 5.443 1.00 0.29 O ATOM 22 CB ILE A 2 5.272 6.092 5.463 1.00 0.29 C ATOM 23 CG1 ILE A 2 5.108 5.677 3.994 1.00 0.30 C ATOM 24 CG2 ILE A 2 6.065 7.399 5.532 1.00 0.36 C ATOM 25 CD1 ILE A 2 4.055 6.563 3.323 1.00 0.36 C ATOM 0 H ILE A 2 7.369 4.462 4.676 1.00 0.32 H new ATOM 0 HA ILE A 2 6.130 5.303 7.280 1.00 0.28 H new ATOM 0 HB ILE A 2 4.288 6.235 5.909 1.00 0.29 H new ATOM 0 HG12 ILE A 2 6.060 5.768 3.472 1.00 0.30 H new ATOM 0 HG13 ILE A 2 4.810 4.630 3.933 1.00 0.30 H new ATOM 0 HG21 ILE A 2 5.536 8.175 4.979 1.00 0.36 H new ATOM 0 HG22 ILE A 2 6.173 7.704 6.573 1.00 0.36 H new ATOM 0 HG23 ILE A 2 7.051 7.250 5.093 1.00 0.36 H new ATOM 0 HD11 ILE A 2 3.941 6.266 2.280 1.00 0.36 H new ATOM 0 HD12 ILE A 2 3.102 6.450 3.839 1.00 0.36 H new ATOM 0 HD13 ILE A 2 4.372 7.605 3.371 1.00 0.36 H new ATOM 37 N GLU A 3 4.153 3.606 6.963 1.00 0.25 N ATOM 38 CA GLU A 3 3.306 2.373 6.965 1.00 0.25 C ATOM 39 C GLU A 3 1.895 2.732 6.482 1.00 0.23 C ATOM 40 O GLU A 3 1.167 3.454 7.139 1.00 0.34 O ATOM 41 CB GLU A 3 3.246 1.775 8.380 1.00 0.30 C ATOM 42 CG GLU A 3 2.922 2.867 9.409 1.00 0.40 C ATOM 43 CD GLU A 3 1.840 2.366 10.372 1.00 0.66 C ATOM 44 OE1 GLU A 3 0.674 2.452 10.020 1.00 0.84 O ATOM 45 OE2 GLU A 3 2.196 1.908 11.446 1.00 0.92 O ATOM 0 H GLU A 3 3.843 4.341 7.598 1.00 0.25 H new ATOM 0 HA GLU A 3 3.741 1.631 6.295 1.00 0.25 H new ATOM 0 HB2 GLU A 3 2.488 0.993 8.419 1.00 0.30 H new ATOM 0 HB3 GLU A 3 4.200 1.307 8.625 1.00 0.30 H new ATOM 0 HG2 GLU A 3 3.821 3.135 9.964 1.00 0.40 H new ATOM 0 HG3 GLU A 3 2.581 3.769 8.901 1.00 0.40 H new ATOM 52 N VAL A 4 1.514 2.240 5.327 1.00 0.22 N ATOM 53 CA VAL A 4 0.155 2.554 4.777 1.00 0.21 C ATOM 54 C VAL A 4 -0.724 1.294 4.778 1.00 0.20 C ATOM 55 O VAL A 4 -0.252 0.193 5.012 1.00 0.28 O ATOM 56 CB VAL A 4 0.293 3.084 3.343 1.00 0.24 C ATOM 57 CG1 VAL A 4 1.157 4.348 3.339 1.00 0.34 C ATOM 58 CG2 VAL A 4 0.951 2.020 2.457 1.00 0.30 C ATOM 0 H VAL A 4 2.086 1.633 4.740 1.00 0.22 H new ATOM 0 HA VAL A 4 -0.315 3.312 5.404 1.00 0.21 H new ATOM 0 HB VAL A 4 -0.698 3.319 2.955 1.00 0.24 H new ATOM 0 HG11 VAL A 4 1.252 4.720 2.319 1.00 0.34 H new ATOM 0 HG12 VAL A 4 0.689 5.111 3.962 1.00 0.34 H new ATOM 0 HG13 VAL A 4 2.146 4.114 3.733 1.00 0.34 H new ATOM 0 HG21 VAL A 4 1.046 2.401 1.440 1.00 0.30 H new ATOM 0 HG22 VAL A 4 1.939 1.781 2.849 1.00 0.30 H new ATOM 0 HG23 VAL A 4 0.336 1.120 2.451 1.00 0.30 H new ATOM 68 N VAL A 5 -1.999 1.456 4.513 1.00 0.20 N ATOM 69 CA VAL A 5 -2.930 0.283 4.488 1.00 0.23 C ATOM 70 C VAL A 5 -3.702 0.265 3.162 1.00 0.23 C ATOM 71 O VAL A 5 -4.050 1.301 2.623 1.00 0.44 O ATOM 72 CB VAL A 5 -3.922 0.372 5.659 1.00 0.31 C ATOM 73 CG1 VAL A 5 -3.195 0.067 6.971 1.00 0.47 C ATOM 74 CG2 VAL A 5 -4.529 1.779 5.727 1.00 0.46 C ATOM 0 H VAL A 5 -2.437 2.355 4.312 1.00 0.20 H new ATOM 0 HA VAL A 5 -2.348 -0.634 4.583 1.00 0.23 H new ATOM 0 HB VAL A 5 -4.720 -0.355 5.505 1.00 0.31 H new ATOM 0 HG11 VAL A 5 -3.899 0.130 7.800 1.00 0.47 H new ATOM 0 HG12 VAL A 5 -2.774 -0.937 6.929 1.00 0.47 H new ATOM 0 HG13 VAL A 5 -2.393 0.791 7.120 1.00 0.47 H new ATOM 0 HG21 VAL A 5 -5.231 1.833 6.559 1.00 0.46 H new ATOM 0 HG22 VAL A 5 -3.735 2.511 5.874 1.00 0.46 H new ATOM 0 HG23 VAL A 5 -5.054 1.994 4.796 1.00 0.46 H new ATOM 84 N VAL A 6 -3.968 -0.907 2.637 1.00 0.23 N ATOM 85 CA VAL A 6 -4.718 -1.013 1.343 1.00 0.25 C ATOM 86 C VAL A 6 -6.028 -1.782 1.564 1.00 0.27 C ATOM 87 O VAL A 6 -6.098 -2.690 2.373 1.00 0.39 O ATOM 88 CB VAL A 6 -3.861 -1.747 0.299 1.00 0.31 C ATOM 89 CG1 VAL A 6 -2.633 -0.899 -0.047 1.00 0.40 C ATOM 90 CG2 VAL A 6 -3.403 -3.103 0.854 1.00 0.42 C ATOM 0 H VAL A 6 -3.697 -1.799 3.050 1.00 0.23 H new ATOM 0 HA VAL A 6 -4.944 -0.010 0.981 1.00 0.25 H new ATOM 0 HB VAL A 6 -4.458 -1.910 -0.598 1.00 0.31 H new ATOM 0 HG11 VAL A 6 -2.027 -1.421 -0.787 1.00 0.40 H new ATOM 0 HG12 VAL A 6 -2.956 0.060 -0.453 1.00 0.40 H new ATOM 0 HG13 VAL A 6 -2.041 -0.731 0.853 1.00 0.40 H new ATOM 0 HG21 VAL A 6 -2.797 -3.616 0.107 1.00 0.42 H new ATOM 0 HG22 VAL A 6 -2.812 -2.946 1.756 1.00 0.42 H new ATOM 0 HG23 VAL A 6 -4.275 -3.712 1.093 1.00 0.42 H new ATOM 100 N ASN A 7 -7.064 -1.420 0.846 1.00 0.29 N ATOM 101 CA ASN A 7 -8.380 -2.116 0.997 1.00 0.32 C ATOM 102 C ASN A 7 -8.674 -2.916 -0.278 1.00 0.31 C ATOM 103 O ASN A 7 -8.668 -2.379 -1.373 1.00 0.37 O ATOM 104 CB ASN A 7 -9.490 -1.081 1.228 1.00 0.40 C ATOM 105 CG ASN A 7 -9.035 -0.058 2.277 1.00 0.43 C ATOM 106 OD1 ASN A 7 -8.947 -0.416 3.531 1.00 0.53 O flip ATOM 107 ND2 ASN A 7 -8.756 1.079 1.951 1.00 0.53 N flip ATOM 0 H ASN A 7 -7.054 -0.667 0.158 1.00 0.29 H new ATOM 0 HA ASN A 7 -8.341 -2.791 1.852 1.00 0.32 H new ATOM 0 HB2 ASN A 7 -9.729 -0.575 0.293 1.00 0.40 H new ATOM 0 HB3 ASN A 7 -10.400 -1.579 1.563 1.00 0.40 H new ATOM 0 HD21 ASN A 7 -8.824 1.360 0.973 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -8.454 1.752 2.655 1.00 0.53 H new ATOM 114 N ASP A 8 -8.919 -4.200 -0.144 1.00 0.33 N ATOM 115 CA ASP A 8 -9.200 -5.052 -1.342 1.00 0.38 C ATOM 116 C ASP A 8 -10.613 -4.771 -1.871 1.00 0.41 C ATOM 117 O ASP A 8 -10.778 -4.236 -2.952 1.00 0.55 O ATOM 118 CB ASP A 8 -9.079 -6.531 -0.959 1.00 0.41 C ATOM 119 CG ASP A 8 -7.603 -6.943 -0.961 1.00 0.52 C ATOM 120 OD1 ASP A 8 -7.118 -7.337 -2.012 1.00 0.70 O ATOM 121 OD2 ASP A 8 -6.982 -6.857 0.087 1.00 0.59 O ATOM 0 H ASP A 8 -8.936 -4.694 0.748 1.00 0.33 H new ATOM 0 HA ASP A 8 -8.477 -4.817 -2.123 1.00 0.38 H new ATOM 0 HB2 ASP A 8 -9.512 -6.698 0.027 1.00 0.41 H new ATOM 0 HB3 ASP A 8 -9.640 -7.146 -1.662 1.00 0.41 H new ATOM 126 N ARG A 9 -11.628 -5.134 -1.119 1.00 0.38 N ATOM 127 CA ARG A 9 -13.034 -4.896 -1.575 1.00 0.44 C ATOM 128 C ARG A 9 -13.882 -4.417 -0.386 1.00 0.41 C ATOM 129 O ARG A 9 -14.904 -4.999 -0.064 1.00 0.45 O ATOM 130 CB ARG A 9 -13.611 -6.201 -2.143 1.00 0.52 C ATOM 131 CG ARG A 9 -13.225 -6.339 -3.619 1.00 0.65 C ATOM 132 CD ARG A 9 -12.268 -7.522 -3.789 1.00 0.81 C ATOM 133 NE ARG A 9 -11.339 -7.259 -4.926 1.00 0.88 N ATOM 134 CZ ARG A 9 -10.082 -7.603 -4.833 1.00 0.76 C ATOM 135 NH1 ARG A 9 -9.713 -8.819 -5.142 1.00 1.24 N ATOM 136 NH2 ARG A 9 -9.195 -6.731 -4.434 1.00 0.95 N ATOM 0 H ARG A 9 -11.541 -5.585 -0.208 1.00 0.38 H new ATOM 0 HA ARG A 9 -13.047 -4.132 -2.352 1.00 0.44 H new ATOM 0 HB2 ARG A 9 -13.233 -7.053 -1.578 1.00 0.52 H new ATOM 0 HB3 ARG A 9 -14.696 -6.205 -2.039 1.00 0.52 H new ATOM 0 HG2 ARG A 9 -14.117 -6.489 -4.227 1.00 0.65 H new ATOM 0 HG3 ARG A 9 -12.752 -5.422 -3.969 1.00 0.65 H new ATOM 0 HD2 ARG A 9 -11.700 -7.677 -2.872 1.00 0.81 H new ATOM 0 HD3 ARG A 9 -12.833 -8.436 -3.973 1.00 0.81 H new ATOM 0 HE ARG A 9 -11.685 -6.811 -5.775 1.00 0.88 H new ATOM 0 HH11 ARG A 9 -10.406 -9.498 -5.455 1.00 1.24 H new ATOM 0 HH12 ARG A 9 -8.732 -9.088 -5.070 1.00 1.24 H new ATOM 0 HH21 ARG A 9 -9.484 -5.782 -4.195 1.00 0.95 H new ATOM 0 HH22 ARG A 9 -8.213 -6.999 -4.361 1.00 0.95 H new ATOM 150 N LEU A 10 -13.459 -3.355 0.267 1.00 0.43 N ATOM 151 CA LEU A 10 -14.222 -2.817 1.439 1.00 0.51 C ATOM 152 C LEU A 10 -14.378 -3.920 2.500 1.00 0.50 C ATOM 153 O LEU A 10 -15.449 -4.472 2.692 1.00 0.73 O ATOM 154 CB LEU A 10 -15.602 -2.325 0.975 1.00 0.61 C ATOM 155 CG LEU A 10 -15.697 -0.808 1.159 1.00 0.98 C ATOM 156 CD1 LEU A 10 -15.564 -0.120 -0.202 1.00 1.52 C ATOM 157 CD2 LEU A 10 -17.050 -0.457 1.788 1.00 1.25 C ATOM 0 H LEU A 10 -12.612 -2.837 0.034 1.00 0.43 H new ATOM 0 HA LEU A 10 -13.679 -1.979 1.876 1.00 0.51 H new ATOM 0 HB2 LEU A 10 -15.758 -2.585 -0.072 1.00 0.61 H new ATOM 0 HB3 LEU A 10 -16.387 -2.820 1.547 1.00 0.61 H new ATOM 0 HG LEU A 10 -14.895 -0.467 1.814 1.00 0.98 H new ATOM 0 HD11 LEU A 10 -15.632 0.960 -0.072 1.00 1.52 H new ATOM 0 HD12 LEU A 10 -14.601 -0.373 -0.645 1.00 1.52 H new ATOM 0 HD13 LEU A 10 -16.365 -0.457 -0.860 1.00 1.52 H new ATOM 0 HD21 LEU A 10 -17.121 0.623 1.920 1.00 1.25 H new ATOM 0 HD22 LEU A 10 -17.854 -0.796 1.135 1.00 1.25 H new ATOM 0 HD23 LEU A 10 -17.139 -0.948 2.757 1.00 1.25 H new ATOM 169 N GLY A 11 -13.307 -4.248 3.183 1.00 0.70 N ATOM 170 CA GLY A 11 -13.369 -5.315 4.228 1.00 0.77 C ATOM 171 C GLY A 11 -11.966 -5.869 4.476 1.00 0.66 C ATOM 172 O GLY A 11 -11.472 -5.852 5.589 1.00 0.77 O ATOM 0 H GLY A 11 -12.389 -3.820 3.060 1.00 0.70 H new ATOM 0 HA2 GLY A 11 -13.780 -4.910 5.153 1.00 0.77 H new ATOM 0 HA3 GLY A 11 -14.036 -6.115 3.907 1.00 0.77 H new ATOM 176 N LYS A 12 -11.323 -6.357 3.441 1.00 0.57 N ATOM 177 CA LYS A 12 -9.948 -6.917 3.598 1.00 0.52 C ATOM 178 C LYS A 12 -8.928 -5.771 3.626 1.00 0.45 C ATOM 179 O LYS A 12 -8.703 -5.102 2.631 1.00 0.58 O ATOM 180 CB LYS A 12 -9.643 -7.857 2.429 1.00 0.62 C ATOM 181 CG LYS A 12 -9.063 -9.167 2.965 1.00 0.78 C ATOM 182 CD LYS A 12 -8.082 -9.746 1.943 1.00 1.09 C ATOM 183 CE LYS A 12 -6.702 -9.915 2.586 1.00 1.44 C ATOM 184 NZ LYS A 12 -5.743 -10.469 1.585 1.00 1.99 N ATOM 0 H LYS A 12 -11.695 -6.390 2.492 1.00 0.57 H new ATOM 0 HA LYS A 12 -9.885 -7.475 4.532 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -10.552 -8.055 1.861 1.00 0.62 H new ATOM 0 HB3 LYS A 12 -8.936 -7.387 1.745 1.00 0.62 H new ATOM 0 HG2 LYS A 12 -8.555 -8.991 3.913 1.00 0.78 H new ATOM 0 HG3 LYS A 12 -9.865 -9.879 3.160 1.00 0.78 H new ATOM 0 HD2 LYS A 12 -8.445 -10.708 1.581 1.00 1.09 H new ATOM 0 HD3 LYS A 12 -8.012 -9.086 1.078 1.00 1.09 H new ATOM 0 HE2 LYS A 12 -6.342 -8.954 2.955 1.00 1.44 H new ATOM 0 HE3 LYS A 12 -6.770 -10.582 3.446 1.00 1.44 H new ATOM 0 HZ1 LYS A 12 -4.808 -10.582 2.026 1.00 1.99 H new ATOM 0 HZ2 LYS A 12 -6.083 -11.394 1.253 1.00 1.99 H new ATOM 0 HZ3 LYS A 12 -5.669 -9.817 0.778 1.00 1.99 H new ATOM 198 N LYS A 13 -8.317 -5.542 4.765 1.00 0.37 N ATOM 199 CA LYS A 13 -7.313 -4.440 4.881 1.00 0.34 C ATOM 200 C LYS A 13 -5.913 -5.029 5.103 1.00 0.31 C ATOM 201 O LYS A 13 -5.691 -5.795 6.025 1.00 0.45 O ATOM 202 CB LYS A 13 -7.677 -3.540 6.066 1.00 0.42 C ATOM 203 CG LYS A 13 -6.916 -2.217 5.954 1.00 0.49 C ATOM 204 CD LYS A 13 -7.074 -1.423 7.252 1.00 0.61 C ATOM 205 CE LYS A 13 -7.362 0.045 6.925 1.00 0.67 C ATOM 206 NZ LYS A 13 -8.749 0.392 7.350 1.00 1.07 N ATOM 0 H LYS A 13 -8.472 -6.074 5.621 1.00 0.37 H new ATOM 0 HA LYS A 13 -7.316 -3.856 3.961 1.00 0.34 H new ATOM 0 HB2 LYS A 13 -8.751 -3.354 6.079 1.00 0.42 H new ATOM 0 HB3 LYS A 13 -7.428 -4.037 7.004 1.00 0.42 H new ATOM 0 HG2 LYS A 13 -5.861 -2.408 5.759 1.00 0.49 H new ATOM 0 HG3 LYS A 13 -7.296 -1.637 5.113 1.00 0.49 H new ATOM 0 HD2 LYS A 13 -7.886 -1.839 7.848 1.00 0.61 H new ATOM 0 HD3 LYS A 13 -6.167 -1.501 7.851 1.00 0.61 H new ATOM 0 HE2 LYS A 13 -6.644 0.688 7.433 1.00 0.67 H new ATOM 0 HE3 LYS A 13 -7.245 0.219 5.855 1.00 0.67 H new ATOM 0 HZ1 LYS A 13 -8.941 1.389 7.127 1.00 1.07 H new ATOM 0 HZ2 LYS A 13 -9.428 -0.213 6.846 1.00 1.07 H new ATOM 0 HZ3 LYS A 13 -8.846 0.242 8.375 1.00 1.07 H new ATOM 220 N VAL A 14 -4.968 -4.660 4.268 1.00 0.29 N ATOM 221 CA VAL A 14 -3.568 -5.174 4.415 1.00 0.30 C ATOM 222 C VAL A 14 -2.634 -3.993 4.720 1.00 0.26 C ATOM 223 O VAL A 14 -2.843 -2.892 4.245 1.00 0.33 O ATOM 224 CB VAL A 14 -3.122 -5.860 3.112 1.00 0.38 C ATOM 225 CG1 VAL A 14 -1.893 -6.732 3.383 1.00 0.53 C ATOM 226 CG2 VAL A 14 -4.256 -6.738 2.569 1.00 0.55 C ATOM 0 H VAL A 14 -5.109 -4.020 3.486 1.00 0.29 H new ATOM 0 HA VAL A 14 -3.528 -5.899 5.228 1.00 0.30 H new ATOM 0 HB VAL A 14 -2.873 -5.095 2.376 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -1.580 -7.217 2.458 1.00 0.53 H new ATOM 0 HG12 VAL A 14 -1.081 -6.110 3.760 1.00 0.53 H new ATOM 0 HG13 VAL A 14 -2.142 -7.491 4.124 1.00 0.53 H new ATOM 0 HG21 VAL A 14 -3.933 -7.220 1.646 1.00 0.55 H new ATOM 0 HG22 VAL A 14 -4.512 -7.499 3.306 1.00 0.55 H new ATOM 0 HG23 VAL A 14 -5.131 -6.119 2.368 1.00 0.55 H new ATOM 236 N ARG A 15 -1.605 -4.217 5.504 1.00 0.26 N ATOM 237 CA ARG A 15 -0.653 -3.112 5.843 1.00 0.28 C ATOM 238 C ARG A 15 0.686 -3.350 5.134 1.00 0.27 C ATOM 239 O ARG A 15 1.114 -4.478 4.958 1.00 0.41 O ATOM 240 CB ARG A 15 -0.434 -3.060 7.361 1.00 0.37 C ATOM 241 CG ARG A 15 0.208 -4.366 7.844 1.00 0.47 C ATOM 242 CD ARG A 15 -0.503 -4.848 9.109 1.00 1.10 C ATOM 243 NE ARG A 15 -0.556 -6.340 9.123 1.00 1.34 N ATOM 244 CZ ARG A 15 -1.241 -6.987 8.214 1.00 2.22 C ATOM 245 NH1 ARG A 15 -2.534 -7.125 8.343 1.00 2.93 N ATOM 246 NH2 ARG A 15 -0.630 -7.501 7.181 1.00 2.76 N ATOM 0 H ARG A 15 -1.384 -5.120 5.924 1.00 0.26 H new ATOM 0 HA ARG A 15 -1.073 -2.163 5.511 1.00 0.28 H new ATOM 0 HB2 ARG A 15 0.206 -2.215 7.616 1.00 0.37 H new ATOM 0 HB3 ARG A 15 -1.386 -2.904 7.869 1.00 0.37 H new ATOM 0 HG2 ARG A 15 0.142 -5.126 7.065 1.00 0.47 H new ATOM 0 HG3 ARG A 15 1.267 -4.209 8.047 1.00 0.47 H new ATOM 0 HD2 ARG A 15 0.022 -4.485 9.993 1.00 1.10 H new ATOM 0 HD3 ARG A 15 -1.513 -4.439 9.148 1.00 1.10 H new ATOM 0 HE ARG A 15 -0.056 -6.858 9.845 1.00 1.34 H new ATOM 0 HH11 ARG A 15 -3.011 -6.728 9.153 1.00 2.93 H new ATOM 0 HH12 ARG A 15 -3.066 -7.629 7.634 1.00 2.93 H new ATOM 0 HH21 ARG A 15 0.380 -7.398 7.083 1.00 2.76 H new ATOM 0 HH22 ARG A 15 -1.163 -8.005 6.472 1.00 2.76 H new ATOM 260 N VAL A 16 1.342 -2.294 4.720 1.00 0.26 N ATOM 261 CA VAL A 16 2.650 -2.443 4.012 1.00 0.26 C ATOM 262 C VAL A 16 3.524 -1.207 4.280 1.00 0.28 C ATOM 263 O VAL A 16 3.035 -0.092 4.343 1.00 0.41 O ATOM 264 CB VAL A 16 2.386 -2.605 2.506 1.00 0.29 C ATOM 265 CG1 VAL A 16 1.597 -1.403 1.975 1.00 0.39 C ATOM 266 CG2 VAL A 16 3.714 -2.717 1.750 1.00 0.35 C ATOM 0 H VAL A 16 1.026 -1.332 4.843 1.00 0.26 H new ATOM 0 HA VAL A 16 3.178 -3.324 4.378 1.00 0.26 H new ATOM 0 HB VAL A 16 1.804 -3.513 2.351 1.00 0.29 H new ATOM 0 HG11 VAL A 16 1.416 -1.529 0.908 1.00 0.39 H new ATOM 0 HG12 VAL A 16 0.644 -1.333 2.499 1.00 0.39 H new ATOM 0 HG13 VAL A 16 2.169 -0.490 2.141 1.00 0.39 H new ATOM 0 HG21 VAL A 16 3.517 -2.831 0.684 1.00 0.35 H new ATOM 0 HG22 VAL A 16 4.304 -1.816 1.915 1.00 0.35 H new ATOM 0 HG23 VAL A 16 4.267 -3.584 2.112 1.00 0.35 H new ATOM 276 N LYS A 17 4.813 -1.401 4.445 1.00 0.29 N ATOM 277 CA LYS A 17 5.722 -0.245 4.720 1.00 0.33 C ATOM 278 C LYS A 17 6.591 0.055 3.489 1.00 0.30 C ATOM 279 O LYS A 17 7.109 -0.839 2.842 1.00 0.40 O ATOM 280 CB LYS A 17 6.620 -0.560 5.926 1.00 0.45 C ATOM 281 CG LYS A 17 7.518 -1.766 5.621 1.00 0.53 C ATOM 282 CD LYS A 17 7.541 -2.706 6.828 1.00 1.01 C ATOM 283 CE LYS A 17 7.626 -4.160 6.349 1.00 1.49 C ATOM 284 NZ LYS A 17 6.360 -4.880 6.676 1.00 2.05 N ATOM 0 H LYS A 17 5.273 -2.311 4.401 1.00 0.29 H new ATOM 0 HA LYS A 17 5.114 0.632 4.944 1.00 0.33 H new ATOM 0 HB2 LYS A 17 7.234 0.308 6.167 1.00 0.45 H new ATOM 0 HB3 LYS A 17 6.005 -0.768 6.801 1.00 0.45 H new ATOM 0 HG2 LYS A 17 7.148 -2.295 4.742 1.00 0.53 H new ATOM 0 HG3 LYS A 17 8.529 -1.430 5.389 1.00 0.53 H new ATOM 0 HD2 LYS A 17 8.393 -2.473 7.466 1.00 1.01 H new ATOM 0 HD3 LYS A 17 6.643 -2.563 7.430 1.00 1.01 H new ATOM 0 HE2 LYS A 17 7.802 -4.188 5.274 1.00 1.49 H new ATOM 0 HE3 LYS A 17 8.471 -4.659 6.824 1.00 1.49 H new ATOM 0 HZ1 LYS A 17 6.426 -5.865 6.348 1.00 2.05 H new ATOM 0 HZ2 LYS A 17 6.209 -4.867 7.705 1.00 2.05 H new ATOM 0 HZ3 LYS A 17 5.562 -4.410 6.203 1.00 2.05 H new ATOM 298 N CYS A 18 6.752 1.319 3.173 1.00 0.28 N ATOM 299 CA CYS A 18 7.587 1.723 1.996 1.00 0.31 C ATOM 300 C CYS A 18 7.974 3.202 2.137 1.00 0.27 C ATOM 301 O CYS A 18 7.301 3.965 2.806 1.00 0.33 O ATOM 302 CB CYS A 18 6.791 1.519 0.700 1.00 0.39 C ATOM 303 SG CYS A 18 5.259 2.482 0.766 1.00 0.51 S ATOM 0 H CYS A 18 6.336 2.096 3.686 1.00 0.28 H new ATOM 0 HA CYS A 18 8.488 1.110 1.960 1.00 0.31 H new ATOM 0 HB2 CYS A 18 7.389 1.827 -0.158 1.00 0.39 H new ATOM 0 HB3 CYS A 18 6.562 0.462 0.565 1.00 0.39 H new ATOM 0 HG CYS A 18 4.443 2.063 -0.155 1.00 0.51 H new ATOM 309 N LEU A 19 9.052 3.612 1.509 1.00 0.30 N ATOM 310 CA LEU A 19 9.481 5.041 1.605 1.00 0.32 C ATOM 311 C LEU A 19 8.691 5.880 0.596 1.00 0.34 C ATOM 312 O LEU A 19 8.349 5.416 -0.479 1.00 0.39 O ATOM 313 CB LEU A 19 10.981 5.150 1.300 1.00 0.38 C ATOM 314 CG LEU A 19 11.790 4.762 2.541 1.00 0.51 C ATOM 315 CD1 LEU A 19 12.542 3.455 2.277 1.00 0.95 C ATOM 316 CD2 LEU A 19 12.795 5.872 2.867 1.00 0.94 C ATOM 0 H LEU A 19 9.651 3.018 0.936 1.00 0.30 H new ATOM 0 HA LEU A 19 9.290 5.410 2.613 1.00 0.32 H new ATOM 0 HB2 LEU A 19 11.241 4.498 0.466 1.00 0.38 H new ATOM 0 HB3 LEU A 19 11.227 6.168 0.997 1.00 0.38 H new ATOM 0 HG LEU A 19 11.113 4.626 3.384 1.00 0.51 H new ATOM 0 HD11 LEU A 19 13.117 3.181 3.162 1.00 0.95 H new ATOM 0 HD12 LEU A 19 11.828 2.664 2.049 1.00 0.95 H new ATOM 0 HD13 LEU A 19 13.218 3.588 1.432 1.00 0.95 H new ATOM 0 HD21 LEU A 19 13.370 5.594 3.750 1.00 0.94 H new ATOM 0 HD22 LEU A 19 13.471 6.010 2.023 1.00 0.94 H new ATOM 0 HD23 LEU A 19 12.260 6.802 3.060 1.00 0.94 H new ATOM 328 N ALA A 20 8.405 7.117 0.933 1.00 0.36 N ATOM 329 CA ALA A 20 7.644 8.003 -0.004 1.00 0.42 C ATOM 330 C ALA A 20 8.455 8.212 -1.294 1.00 0.42 C ATOM 331 O ALA A 20 7.903 8.489 -2.344 1.00 0.46 O ATOM 332 CB ALA A 20 7.390 9.356 0.669 1.00 0.49 C ATOM 0 H ALA A 20 8.667 7.551 1.818 1.00 0.36 H new ATOM 0 HA ALA A 20 6.691 7.535 -0.252 1.00 0.42 H new ATOM 0 HB1 ALA A 20 6.836 10.003 -0.012 1.00 0.49 H new ATOM 0 HB2 ALA A 20 6.810 9.206 1.580 1.00 0.49 H new ATOM 0 HB3 ALA A 20 8.343 9.823 0.918 1.00 0.49 H new ATOM 338 N GLU A 21 9.762 8.065 -1.220 1.00 0.42 N ATOM 339 CA GLU A 21 10.620 8.239 -2.435 1.00 0.45 C ATOM 340 C GLU A 21 10.669 6.925 -3.234 1.00 0.40 C ATOM 341 O GLU A 21 11.019 6.922 -4.400 1.00 0.44 O ATOM 342 CB GLU A 21 12.041 8.642 -2.018 1.00 0.54 C ATOM 343 CG GLU A 21 12.620 7.611 -1.040 1.00 0.56 C ATOM 344 CD GLU A 21 12.860 8.271 0.323 1.00 0.72 C ATOM 345 OE1 GLU A 21 11.896 8.459 1.049 1.00 0.75 O ATOM 346 OE2 GLU A 21 14.004 8.576 0.619 1.00 0.92 O ATOM 0 H GLU A 21 10.269 7.831 -0.366 1.00 0.42 H new ATOM 0 HA GLU A 21 10.193 9.024 -3.060 1.00 0.45 H new ATOM 0 HB2 GLU A 21 12.679 8.716 -2.899 1.00 0.54 H new ATOM 0 HB3 GLU A 21 12.025 9.627 -1.552 1.00 0.54 H new ATOM 0 HG2 GLU A 21 11.933 6.771 -0.933 1.00 0.56 H new ATOM 0 HG3 GLU A 21 13.555 7.210 -1.431 1.00 0.56 H new ATOM 353 N ASP A 22 10.317 5.812 -2.619 1.00 0.36 N ATOM 354 CA ASP A 22 10.337 4.501 -3.345 1.00 0.37 C ATOM 355 C ASP A 22 9.309 4.527 -4.485 1.00 0.32 C ATOM 356 O ASP A 22 8.423 5.365 -4.515 1.00 0.41 O ATOM 357 CB ASP A 22 9.986 3.366 -2.371 1.00 0.41 C ATOM 358 CG ASP A 22 11.237 2.534 -2.067 1.00 0.48 C ATOM 359 OD1 ASP A 22 11.688 1.827 -2.954 1.00 0.59 O ATOM 360 OD2 ASP A 22 11.719 2.614 -0.949 1.00 0.70 O ATOM 0 H ASP A 22 10.017 5.760 -1.645 1.00 0.36 H new ATOM 0 HA ASP A 22 11.333 4.334 -3.756 1.00 0.37 H new ATOM 0 HB2 ASP A 22 9.581 3.780 -1.448 1.00 0.41 H new ATOM 0 HB3 ASP A 22 9.212 2.731 -2.802 1.00 0.41 H new ATOM 365 N SER A 23 9.424 3.617 -5.422 1.00 0.31 N ATOM 366 CA SER A 23 8.461 3.587 -6.566 1.00 0.31 C ATOM 367 C SER A 23 7.307 2.622 -6.264 1.00 0.27 C ATOM 368 O SER A 23 7.356 1.851 -5.321 1.00 0.30 O ATOM 369 CB SER A 23 9.189 3.135 -7.836 1.00 0.41 C ATOM 370 OG SER A 23 9.254 4.220 -8.752 1.00 1.40 O ATOM 0 H SER A 23 10.143 2.894 -5.443 1.00 0.31 H new ATOM 0 HA SER A 23 8.055 4.588 -6.713 1.00 0.31 H new ATOM 0 HB2 SER A 23 10.194 2.791 -7.590 1.00 0.41 H new ATOM 0 HB3 SER A 23 8.666 2.293 -8.289 1.00 0.41 H new ATOM 0 HG SER A 23 8.834 3.959 -9.598 1.00 1.40 H new ATOM 376 N VAL A 24 6.269 2.663 -7.072 1.00 0.27 N ATOM 377 CA VAL A 24 5.099 1.751 -6.858 1.00 0.27 C ATOM 378 C VAL A 24 5.566 0.293 -6.974 1.00 0.26 C ATOM 379 O VAL A 24 5.036 -0.582 -6.316 1.00 0.28 O ATOM 380 CB VAL A 24 4.019 2.039 -7.909 1.00 0.30 C ATOM 381 CG1 VAL A 24 2.845 1.074 -7.723 1.00 0.38 C ATOM 382 CG2 VAL A 24 3.520 3.478 -7.748 1.00 0.38 C ATOM 0 H VAL A 24 6.184 3.291 -7.871 1.00 0.27 H new ATOM 0 HA VAL A 24 4.681 1.920 -5.866 1.00 0.27 H new ATOM 0 HB VAL A 24 4.443 1.906 -8.904 1.00 0.30 H new ATOM 0 HG11 VAL A 24 2.081 1.282 -8.472 1.00 0.38 H new ATOM 0 HG12 VAL A 24 3.195 0.048 -7.838 1.00 0.38 H new ATOM 0 HG13 VAL A 24 2.422 1.203 -6.727 1.00 0.38 H new ATOM 0 HG21 VAL A 24 2.753 3.683 -8.495 1.00 0.38 H new ATOM 0 HG22 VAL A 24 3.100 3.608 -6.751 1.00 0.38 H new ATOM 0 HG23 VAL A 24 4.352 4.169 -7.884 1.00 0.38 H new ATOM 392 N GLY A 25 6.565 0.032 -7.794 1.00 0.29 N ATOM 393 CA GLY A 25 7.086 -1.363 -7.938 1.00 0.33 C ATOM 394 C GLY A 25 7.524 -1.874 -6.562 1.00 0.30 C ATOM 395 O GLY A 25 7.204 -2.983 -6.174 1.00 0.33 O ATOM 0 H GLY A 25 7.039 0.729 -8.368 1.00 0.29 H new ATOM 0 HA2 GLY A 25 6.315 -2.012 -8.353 1.00 0.33 H new ATOM 0 HA3 GLY A 25 7.926 -1.382 -8.632 1.00 0.33 H new ATOM 399 N ASP A 26 8.234 -1.056 -5.813 1.00 0.31 N ATOM 400 CA ASP A 26 8.678 -1.463 -4.443 1.00 0.31 C ATOM 401 C ASP A 26 7.438 -1.660 -3.560 1.00 0.28 C ATOM 402 O ASP A 26 7.374 -2.578 -2.764 1.00 0.32 O ATOM 403 CB ASP A 26 9.571 -0.364 -3.848 1.00 0.38 C ATOM 404 CG ASP A 26 9.992 -0.743 -2.422 1.00 0.56 C ATOM 405 OD1 ASP A 26 10.920 -1.525 -2.285 1.00 0.80 O ATOM 406 OD2 ASP A 26 9.381 -0.241 -1.491 1.00 0.73 O ATOM 0 H ASP A 26 8.524 -0.120 -6.097 1.00 0.31 H new ATOM 0 HA ASP A 26 9.244 -2.393 -4.494 1.00 0.31 H new ATOM 0 HB2 ASP A 26 10.454 -0.225 -4.472 1.00 0.38 H new ATOM 0 HB3 ASP A 26 9.035 0.585 -3.837 1.00 0.38 H new ATOM 411 N PHE A 27 6.448 -0.806 -3.718 1.00 0.26 N ATOM 412 CA PHE A 27 5.188 -0.922 -2.920 1.00 0.26 C ATOM 413 C PHE A 27 4.559 -2.304 -3.162 1.00 0.24 C ATOM 414 O PHE A 27 4.159 -2.983 -2.233 1.00 0.28 O ATOM 415 CB PHE A 27 4.213 0.173 -3.377 1.00 0.30 C ATOM 416 CG PHE A 27 3.098 0.348 -2.369 1.00 0.27 C ATOM 417 CD1 PHE A 27 2.164 -0.677 -2.170 1.00 0.33 C ATOM 418 CD2 PHE A 27 2.991 1.540 -1.645 1.00 0.37 C ATOM 419 CE1 PHE A 27 1.125 -0.508 -1.248 1.00 0.36 C ATOM 420 CE2 PHE A 27 1.953 1.708 -0.722 1.00 0.38 C ATOM 421 CZ PHE A 27 1.020 0.683 -0.525 1.00 0.33 C ATOM 0 H PHE A 27 6.464 -0.026 -4.375 1.00 0.26 H new ATOM 0 HA PHE A 27 5.405 -0.806 -1.858 1.00 0.26 H new ATOM 0 HB2 PHE A 27 4.748 1.114 -3.503 1.00 0.30 H new ATOM 0 HB3 PHE A 27 3.794 -0.088 -4.349 1.00 0.30 H new ATOM 0 HD1 PHE A 27 2.246 -1.598 -2.728 1.00 0.33 H new ATOM 0 HD2 PHE A 27 3.710 2.331 -1.799 1.00 0.37 H new ATOM 0 HE1 PHE A 27 0.404 -1.298 -1.095 1.00 0.36 H new ATOM 0 HE2 PHE A 27 1.872 2.628 -0.162 1.00 0.38 H new ATOM 0 HZ PHE A 27 0.218 0.813 0.187 1.00 0.33 H new ATOM 431 N LYS A 28 4.476 -2.718 -4.408 1.00 0.25 N ATOM 432 CA LYS A 28 3.878 -4.052 -4.736 1.00 0.27 C ATOM 433 C LYS A 28 4.799 -5.180 -4.252 1.00 0.25 C ATOM 434 O LYS A 28 4.340 -6.256 -3.923 1.00 0.31 O ATOM 435 CB LYS A 28 3.694 -4.167 -6.254 1.00 0.32 C ATOM 436 CG LYS A 28 2.573 -3.228 -6.706 1.00 0.37 C ATOM 437 CD LYS A 28 2.593 -3.086 -8.231 1.00 0.61 C ATOM 438 CE LYS A 28 1.391 -2.250 -8.685 1.00 0.67 C ATOM 439 NZ LYS A 28 1.686 -1.620 -10.005 1.00 0.97 N ATOM 0 H LYS A 28 4.799 -2.184 -5.215 1.00 0.25 H new ATOM 0 HA LYS A 28 2.913 -4.140 -4.236 1.00 0.27 H new ATOM 0 HB2 LYS A 28 4.623 -3.913 -6.764 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.453 -5.195 -6.525 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.608 -3.617 -6.381 1.00 0.37 H new ATOM 0 HG3 LYS A 28 2.696 -2.250 -6.240 1.00 0.37 H new ATOM 0 HD2 LYS A 28 3.521 -2.611 -8.550 1.00 0.61 H new ATOM 0 HD3 LYS A 28 2.562 -4.070 -8.699 1.00 0.61 H new ATOM 0 HE2 LYS A 28 0.505 -2.881 -8.762 1.00 0.67 H new ATOM 0 HE3 LYS A 28 1.171 -1.481 -7.945 1.00 0.67 H new ATOM 0 HZ1 LYS A 28 1.201 -0.702 -10.068 1.00 0.97 H new ATOM 0 HZ2 LYS A 28 2.712 -1.476 -10.100 1.00 0.97 H new ATOM 0 HZ3 LYS A 28 1.352 -2.242 -10.769 1.00 0.97 H new ATOM 453 N LYS A 29 6.092 -4.942 -4.211 1.00 0.24 N ATOM 454 CA LYS A 29 7.045 -6.002 -3.751 1.00 0.27 C ATOM 455 C LYS A 29 6.880 -6.238 -2.246 1.00 0.24 C ATOM 456 O LYS A 29 6.857 -7.367 -1.790 1.00 0.30 O ATOM 457 CB LYS A 29 8.482 -5.564 -4.044 1.00 0.31 C ATOM 458 CG LYS A 29 8.809 -5.835 -5.514 1.00 0.39 C ATOM 459 CD LYS A 29 10.327 -5.813 -5.719 1.00 1.04 C ATOM 460 CE LYS A 29 10.662 -5.010 -6.978 1.00 1.59 C ATOM 461 NZ LYS A 29 12.140 -4.973 -7.178 1.00 2.32 N ATOM 0 H LYS A 29 6.526 -4.058 -4.477 1.00 0.24 H new ATOM 0 HA LYS A 29 6.830 -6.928 -4.284 1.00 0.27 H new ATOM 0 HB2 LYS A 29 8.602 -4.503 -3.823 1.00 0.31 H new ATOM 0 HB3 LYS A 29 9.176 -6.104 -3.400 1.00 0.31 H new ATOM 0 HG2 LYS A 29 8.406 -6.802 -5.814 1.00 0.39 H new ATOM 0 HG3 LYS A 29 8.336 -5.083 -6.146 1.00 0.39 H new ATOM 0 HD2 LYS A 29 10.815 -5.369 -4.851 1.00 1.04 H new ATOM 0 HD3 LYS A 29 10.707 -6.831 -5.812 1.00 1.04 H new ATOM 0 HE2 LYS A 29 10.180 -5.460 -7.846 1.00 1.59 H new ATOM 0 HE3 LYS A 29 10.273 -3.996 -6.887 1.00 1.59 H new ATOM 0 HZ1 LYS A 29 12.361 -4.426 -8.035 1.00 2.32 H new ATOM 0 HZ2 LYS A 29 12.591 -4.524 -6.355 1.00 2.32 H new ATOM 0 HZ3 LYS A 29 12.500 -5.943 -7.284 1.00 2.32 H new ATOM 475 N VAL A 30 6.759 -5.184 -1.471 1.00 0.22 N ATOM 476 CA VAL A 30 6.586 -5.352 0.005 1.00 0.22 C ATOM 477 C VAL A 30 5.158 -5.836 0.285 1.00 0.22 C ATOM 478 O VAL A 30 4.937 -6.665 1.148 1.00 0.30 O ATOM 479 CB VAL A 30 6.828 -4.014 0.721 1.00 0.29 C ATOM 480 CG1 VAL A 30 6.767 -4.228 2.237 1.00 0.36 C ATOM 481 CG2 VAL A 30 8.209 -3.467 0.347 1.00 0.37 C ATOM 0 H VAL A 30 6.773 -4.218 -1.798 1.00 0.22 H new ATOM 0 HA VAL A 30 7.306 -6.082 0.375 1.00 0.22 H new ATOM 0 HB VAL A 30 6.061 -3.302 0.417 1.00 0.29 H new ATOM 0 HG11 VAL A 30 6.939 -3.279 2.746 1.00 0.36 H new ATOM 0 HG12 VAL A 30 5.785 -4.614 2.511 1.00 0.36 H new ATOM 0 HG13 VAL A 30 7.534 -4.943 2.535 1.00 0.36 H new ATOM 0 HG21 VAL A 30 8.375 -2.518 0.857 1.00 0.37 H new ATOM 0 HG22 VAL A 30 8.976 -4.180 0.648 1.00 0.37 H new ATOM 0 HG23 VAL A 30 8.260 -3.313 -0.731 1.00 0.37 H new ATOM 491 N LEU A 31 4.193 -5.323 -0.444 1.00 0.23 N ATOM 492 CA LEU A 31 2.773 -5.742 -0.238 1.00 0.26 C ATOM 493 C LEU A 31 2.593 -7.208 -0.657 1.00 0.25 C ATOM 494 O LEU A 31 1.925 -7.967 0.019 1.00 0.29 O ATOM 495 CB LEU A 31 1.853 -4.848 -1.079 1.00 0.33 C ATOM 496 CG LEU A 31 0.387 -5.164 -0.762 1.00 0.34 C ATOM 497 CD1 LEU A 31 0.044 -4.669 0.647 1.00 0.52 C ATOM 498 CD2 LEU A 31 -0.515 -4.466 -1.784 1.00 0.44 C ATOM 0 H LEU A 31 4.332 -4.628 -1.177 1.00 0.23 H new ATOM 0 HA LEU A 31 2.517 -5.641 0.817 1.00 0.26 H new ATOM 0 HB2 LEU A 31 2.061 -3.799 -0.870 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.047 -5.007 -2.140 1.00 0.33 H new ATOM 0 HG LEU A 31 0.230 -6.241 -0.812 1.00 0.34 H new ATOM 0 HD11 LEU A 31 -0.999 -4.896 0.868 1.00 0.52 H new ATOM 0 HD12 LEU A 31 0.686 -5.167 1.374 1.00 0.52 H new ATOM 0 HD13 LEU A 31 0.201 -3.592 0.702 1.00 0.52 H new ATOM 0 HD21 LEU A 31 -1.558 -4.689 -1.561 1.00 0.44 H new ATOM 0 HD22 LEU A 31 -0.356 -3.389 -1.734 1.00 0.44 H new ATOM 0 HD23 LEU A 31 -0.274 -4.823 -2.785 1.00 0.44 H new ATOM 510 N SER A 32 3.185 -7.607 -1.766 1.00 0.25 N ATOM 511 CA SER A 32 3.051 -9.025 -2.246 1.00 0.28 C ATOM 512 C SER A 32 3.504 -10.017 -1.161 1.00 0.29 C ATOM 513 O SER A 32 3.090 -11.160 -1.160 1.00 0.35 O ATOM 514 CB SER A 32 3.899 -9.229 -3.508 1.00 0.34 C ATOM 515 OG SER A 32 5.272 -9.013 -3.206 1.00 0.36 O ATOM 0 H SER A 32 3.757 -7.007 -2.360 1.00 0.25 H new ATOM 0 HA SER A 32 2.001 -9.211 -2.472 1.00 0.28 H new ATOM 0 HB2 SER A 32 3.756 -10.238 -3.894 1.00 0.34 H new ATOM 0 HB3 SER A 32 3.576 -8.541 -4.289 1.00 0.34 H new ATOM 0 HG SER A 32 5.350 -8.326 -2.512 1.00 0.36 H new ATOM 521 N LEU A 33 4.343 -9.597 -0.242 1.00 0.30 N ATOM 522 CA LEU A 33 4.808 -10.522 0.837 1.00 0.37 C ATOM 523 C LEU A 33 3.677 -10.748 1.854 1.00 0.37 C ATOM 524 O LEU A 33 3.557 -11.816 2.428 1.00 0.45 O ATOM 525 CB LEU A 33 6.022 -9.910 1.551 1.00 0.43 C ATOM 526 CG LEU A 33 7.294 -10.700 1.209 1.00 0.57 C ATOM 527 CD1 LEU A 33 7.152 -12.149 1.684 1.00 0.83 C ATOM 528 CD2 LEU A 33 7.530 -10.675 -0.306 1.00 0.74 C ATOM 0 H LEU A 33 4.725 -8.652 -0.194 1.00 0.30 H new ATOM 0 HA LEU A 33 5.089 -11.477 0.393 1.00 0.37 H new ATOM 0 HB2 LEU A 33 6.141 -8.868 1.253 1.00 0.43 H new ATOM 0 HB3 LEU A 33 5.860 -9.916 2.629 1.00 0.43 H new ATOM 0 HG LEU A 33 8.144 -10.240 1.713 1.00 0.57 H new ATOM 0 HD11 LEU A 33 8.058 -12.703 1.438 1.00 0.83 H new ATOM 0 HD12 LEU A 33 6.999 -12.165 2.763 1.00 0.83 H new ATOM 0 HD13 LEU A 33 6.298 -12.612 1.190 1.00 0.83 H new ATOM 0 HD21 LEU A 33 8.434 -11.237 -0.543 1.00 0.74 H new ATOM 0 HD22 LEU A 33 6.678 -11.127 -0.814 1.00 0.74 H new ATOM 0 HD23 LEU A 33 7.646 -9.644 -0.639 1.00 0.74 H new ATOM 540 N GLN A 34 2.854 -9.748 2.082 1.00 0.35 N ATOM 541 CA GLN A 34 1.730 -9.887 3.061 1.00 0.40 C ATOM 542 C GLN A 34 0.536 -10.592 2.401 1.00 0.41 C ATOM 543 O GLN A 34 -0.036 -11.508 2.964 1.00 0.53 O ATOM 544 CB GLN A 34 1.295 -8.497 3.539 1.00 0.41 C ATOM 545 CG GLN A 34 2.299 -7.964 4.566 1.00 0.44 C ATOM 546 CD GLN A 34 3.356 -7.108 3.862 1.00 0.36 C ATOM 547 OE1 GLN A 34 4.519 -7.459 3.840 1.00 0.49 O ATOM 548 NE2 GLN A 34 3.001 -5.992 3.282 1.00 0.38 N ATOM 0 H GLN A 34 2.915 -8.837 1.628 1.00 0.35 H new ATOM 0 HA GLN A 34 2.071 -10.481 3.909 1.00 0.40 H new ATOM 0 HB2 GLN A 34 1.231 -7.815 2.692 1.00 0.41 H new ATOM 0 HB3 GLN A 34 0.301 -8.549 3.982 1.00 0.41 H new ATOM 0 HG2 GLN A 34 1.782 -7.372 5.321 1.00 0.44 H new ATOM 0 HG3 GLN A 34 2.777 -8.794 5.086 1.00 0.44 H new ATOM 0 HE21 GLN A 34 2.025 -5.696 3.300 1.00 0.38 H new ATOM 0 HE22 GLN A 34 3.700 -5.417 2.812 1.00 0.38 H new ATOM 557 N ILE A 35 0.151 -10.164 1.219 1.00 0.36 N ATOM 558 CA ILE A 35 -1.018 -10.801 0.522 1.00 0.40 C ATOM 559 C ILE A 35 -0.588 -12.080 -0.209 1.00 0.39 C ATOM 560 O ILE A 35 -1.403 -12.948 -0.466 1.00 0.51 O ATOM 561 CB ILE A 35 -1.636 -9.826 -0.500 1.00 0.40 C ATOM 562 CG1 ILE A 35 -0.537 -9.183 -1.361 1.00 0.37 C ATOM 563 CG2 ILE A 35 -2.411 -8.735 0.237 1.00 0.51 C ATOM 564 CD1 ILE A 35 -1.174 -8.315 -2.449 1.00 0.43 C ATOM 0 H ILE A 35 0.595 -9.402 0.707 1.00 0.36 H new ATOM 0 HA ILE A 35 -1.758 -11.052 1.282 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.312 -10.381 -1.150 1.00 0.40 H new ATOM 0 HG12 ILE A 35 0.119 -8.577 -0.737 1.00 0.37 H new ATOM 0 HG13 ILE A 35 0.081 -9.957 -1.816 1.00 0.37 H new ATOM 0 HG21 ILE A 35 -2.847 -8.047 -0.487 1.00 0.51 H new ATOM 0 HG22 ILE A 35 -3.205 -9.190 0.830 1.00 0.51 H new ATOM 0 HG23 ILE A 35 -1.735 -8.189 0.895 1.00 0.51 H new ATOM 0 HD11 ILE A 35 -0.391 -7.861 -3.057 1.00 0.43 H new ATOM 0 HD12 ILE A 35 -1.812 -8.933 -3.081 1.00 0.43 H new ATOM 0 HD13 ILE A 35 -1.773 -7.532 -1.985 1.00 0.43 H new ATOM 576 N GLY A 36 0.672 -12.197 -0.564 1.00 0.33 N ATOM 577 CA GLY A 36 1.136 -13.413 -1.301 1.00 0.34 C ATOM 578 C GLY A 36 0.512 -13.398 -2.697 1.00 0.30 C ATOM 579 O GLY A 36 0.019 -14.401 -3.181 1.00 0.39 O ATOM 0 H GLY A 36 1.395 -11.503 -0.375 1.00 0.33 H new ATOM 0 HA2 GLY A 36 2.224 -13.422 -1.372 1.00 0.34 H new ATOM 0 HA3 GLY A 36 0.844 -14.316 -0.765 1.00 0.34 H new ATOM 583 N THR A 37 0.517 -12.251 -3.333 1.00 0.25 N ATOM 584 CA THR A 37 -0.085 -12.117 -4.696 1.00 0.26 C ATOM 585 C THR A 37 1.007 -11.766 -5.726 1.00 0.23 C ATOM 586 O THR A 37 0.731 -11.671 -6.908 1.00 0.33 O ATOM 587 CB THR A 37 -1.149 -11.004 -4.658 1.00 0.32 C ATOM 588 OG1 THR A 37 -1.926 -11.124 -3.470 1.00 0.40 O ATOM 589 CG2 THR A 37 -2.070 -11.115 -5.873 1.00 0.48 C ATOM 0 H THR A 37 0.918 -11.391 -2.960 1.00 0.25 H new ATOM 0 HA THR A 37 -0.545 -13.060 -4.989 1.00 0.26 H new ATOM 0 HB THR A 37 -0.646 -10.037 -4.674 1.00 0.32 H new ATOM 0 HG1 THR A 37 -2.755 -10.611 -3.568 1.00 0.40 H new ATOM 0 HG21 THR A 37 -2.818 -10.323 -5.836 1.00 0.48 H new ATOM 0 HG22 THR A 37 -1.482 -11.016 -6.785 1.00 0.48 H new ATOM 0 HG23 THR A 37 -2.567 -12.085 -5.865 1.00 0.48 H new ATOM 597 N GLN A 38 2.242 -11.577 -5.285 1.00 0.27 N ATOM 598 CA GLN A 38 3.367 -11.236 -6.223 1.00 0.33 C ATOM 599 C GLN A 38 3.166 -9.826 -6.809 1.00 0.35 C ATOM 600 O GLN A 38 2.051 -9.347 -6.904 1.00 0.41 O ATOM 601 CB GLN A 38 3.436 -12.268 -7.360 1.00 0.44 C ATOM 602 CG GLN A 38 3.817 -13.641 -6.795 1.00 0.84 C ATOM 603 CD GLN A 38 4.947 -14.245 -7.632 1.00 1.54 C ATOM 604 OE1 GLN A 38 4.750 -15.232 -8.312 1.00 1.82 O ATOM 605 NE2 GLN A 38 6.129 -13.689 -7.614 1.00 2.42 N ATOM 0 H GLN A 38 2.515 -11.646 -4.305 1.00 0.27 H new ATOM 0 HA GLN A 38 4.303 -11.256 -5.665 1.00 0.33 H new ATOM 0 HB2 GLN A 38 2.473 -12.328 -7.867 1.00 0.44 H new ATOM 0 HB3 GLN A 38 4.169 -11.955 -8.103 1.00 0.44 H new ATOM 0 HG2 GLN A 38 4.133 -13.543 -5.756 1.00 0.84 H new ATOM 0 HG3 GLN A 38 2.951 -14.302 -6.804 1.00 0.84 H new ATOM 0 HE21 GLN A 38 6.294 -12.860 -7.043 1.00 2.42 H new ATOM 0 HE22 GLN A 38 6.887 -14.084 -8.171 1.00 2.42 H new ATOM 614 N PRO A 39 4.262 -9.202 -7.189 1.00 0.44 N ATOM 615 CA PRO A 39 4.245 -7.843 -7.776 1.00 0.56 C ATOM 616 C PRO A 39 3.747 -7.851 -9.237 1.00 0.70 C ATOM 617 O PRO A 39 3.777 -6.834 -9.908 1.00 1.38 O ATOM 618 CB PRO A 39 5.712 -7.393 -7.681 1.00 0.63 C ATOM 619 CG PRO A 39 6.562 -8.679 -7.570 1.00 0.63 C ATOM 620 CD PRO A 39 5.616 -9.794 -7.082 1.00 0.51 C ATOM 0 HA PRO A 39 3.561 -7.172 -7.257 1.00 0.56 H new ATOM 0 HB2 PRO A 39 5.997 -6.815 -8.560 1.00 0.63 H new ATOM 0 HB3 PRO A 39 5.865 -6.751 -6.813 1.00 0.63 H new ATOM 0 HG2 PRO A 39 7.000 -8.938 -8.534 1.00 0.63 H new ATOM 0 HG3 PRO A 39 7.387 -8.538 -6.872 1.00 0.63 H new ATOM 0 HD2 PRO A 39 5.708 -10.690 -7.696 1.00 0.51 H new ATOM 0 HD3 PRO A 39 5.842 -10.086 -6.056 1.00 0.51 H new ATOM 628 N ASN A 40 3.281 -8.980 -9.731 1.00 0.51 N ATOM 629 CA ASN A 40 2.773 -9.049 -11.136 1.00 0.58 C ATOM 630 C ASN A 40 1.233 -9.131 -11.139 1.00 0.57 C ATOM 631 O ASN A 40 0.597 -8.836 -12.138 1.00 0.74 O ATOM 632 CB ASN A 40 3.356 -10.290 -11.823 1.00 0.69 C ATOM 633 CG ASN A 40 4.659 -9.916 -12.534 1.00 1.03 C ATOM 634 OD1 ASN A 40 4.642 -9.495 -13.673 1.00 1.48 O ATOM 635 ND2 ASN A 40 5.798 -10.050 -11.906 1.00 1.38 N ATOM 0 H ASN A 40 3.233 -9.858 -9.215 1.00 0.51 H new ATOM 0 HA ASN A 40 3.079 -8.152 -11.674 1.00 0.58 H new ATOM 0 HB2 ASN A 40 3.543 -11.072 -11.087 1.00 0.69 H new ATOM 0 HB3 ASN A 40 2.640 -10.691 -12.540 1.00 0.69 H new ATOM 0 HD21 ASN A 40 6.670 -9.801 -12.373 1.00 1.38 H new ATOM 0 HD22 ASN A 40 5.814 -10.403 -10.949 1.00 1.38 H new ATOM 642 N LYS A 41 0.632 -9.533 -10.038 1.00 0.48 N ATOM 643 CA LYS A 41 -0.862 -9.644 -9.976 1.00 0.53 C ATOM 644 C LYS A 41 -1.447 -8.590 -9.013 1.00 0.47 C ATOM 645 O LYS A 41 -2.615 -8.646 -8.670 1.00 0.55 O ATOM 646 CB LYS A 41 -1.235 -11.041 -9.469 1.00 0.65 C ATOM 647 CG LYS A 41 -2.137 -11.744 -10.487 1.00 0.99 C ATOM 648 CD LYS A 41 -2.740 -13.003 -9.857 1.00 1.20 C ATOM 649 CE LYS A 41 -2.910 -14.092 -10.922 1.00 1.54 C ATOM 650 NZ LYS A 41 -4.192 -13.884 -11.652 1.00 2.37 N ATOM 0 H LYS A 41 1.116 -9.789 -9.178 1.00 0.48 H new ATOM 0 HA LYS A 41 -1.270 -9.475 -10.973 1.00 0.53 H new ATOM 0 HB2 LYS A 41 -0.333 -11.629 -9.303 1.00 0.65 H new ATOM 0 HB3 LYS A 41 -1.747 -10.964 -8.510 1.00 0.65 H new ATOM 0 HG2 LYS A 41 -2.931 -11.071 -10.810 1.00 0.99 H new ATOM 0 HG3 LYS A 41 -1.563 -12.009 -11.375 1.00 0.99 H new ATOM 0 HD2 LYS A 41 -2.095 -13.364 -9.056 1.00 1.20 H new ATOM 0 HD3 LYS A 41 -3.705 -12.768 -9.408 1.00 1.20 H new ATOM 0 HE2 LYS A 41 -2.074 -14.065 -11.621 1.00 1.54 H new ATOM 0 HE3 LYS A 41 -2.902 -15.076 -10.454 1.00 1.54 H new ATOM 0 HZ1 LYS A 41 -4.305 -14.624 -12.374 1.00 2.37 H new ATOM 0 HZ2 LYS A 41 -4.985 -13.931 -10.981 1.00 2.37 H new ATOM 0 HZ3 LYS A 41 -4.182 -12.951 -12.112 1.00 2.37 H new ATOM 664 N ILE A 42 -0.653 -7.639 -8.566 1.00 0.40 N ATOM 665 CA ILE A 42 -1.181 -6.608 -7.619 1.00 0.35 C ATOM 666 C ILE A 42 -1.478 -5.299 -8.364 1.00 0.35 C ATOM 667 O ILE A 42 -0.657 -4.787 -9.105 1.00 0.49 O ATOM 668 CB ILE A 42 -0.153 -6.359 -6.509 1.00 0.38 C ATOM 669 CG1 ILE A 42 -0.046 -7.612 -5.633 1.00 0.46 C ATOM 670 CG2 ILE A 42 -0.607 -5.179 -5.646 1.00 0.45 C ATOM 671 CD1 ILE A 42 1.219 -7.535 -4.779 1.00 0.50 C ATOM 0 H ILE A 42 0.330 -7.536 -8.816 1.00 0.40 H new ATOM 0 HA ILE A 42 -2.109 -6.972 -7.178 1.00 0.35 H new ATOM 0 HB ILE A 42 0.816 -6.133 -6.953 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -0.924 -7.696 -4.993 1.00 0.46 H new ATOM 0 HG13 ILE A 42 -0.021 -8.504 -6.259 1.00 0.46 H new ATOM 0 HG21 ILE A 42 0.124 -5.003 -4.857 1.00 0.45 H new ATOM 0 HG22 ILE A 42 -0.694 -4.287 -6.266 1.00 0.45 H new ATOM 0 HG23 ILE A 42 -1.575 -5.406 -5.199 1.00 0.45 H new ATOM 0 HD11 ILE A 42 1.293 -8.427 -4.157 1.00 0.50 H new ATOM 0 HD12 ILE A 42 2.093 -7.472 -5.428 1.00 0.50 H new ATOM 0 HD13 ILE A 42 1.175 -6.651 -4.142 1.00 0.50 H new ATOM 683 N VAL A 43 -2.653 -4.756 -8.142 1.00 0.29 N ATOM 684 CA VAL A 43 -3.055 -3.468 -8.791 1.00 0.29 C ATOM 685 C VAL A 43 -3.395 -2.464 -7.681 1.00 0.27 C ATOM 686 O VAL A 43 -4.400 -2.595 -7.005 1.00 0.36 O ATOM 687 CB VAL A 43 -4.292 -3.692 -9.674 1.00 0.36 C ATOM 688 CG1 VAL A 43 -4.699 -2.372 -10.338 1.00 0.48 C ATOM 689 CG2 VAL A 43 -3.976 -4.729 -10.760 1.00 0.49 C ATOM 0 H VAL A 43 -3.361 -5.159 -7.528 1.00 0.29 H new ATOM 0 HA VAL A 43 -2.244 -3.091 -9.414 1.00 0.29 H new ATOM 0 HB VAL A 43 -5.110 -4.056 -9.053 1.00 0.36 H new ATOM 0 HG11 VAL A 43 -5.577 -2.535 -10.964 1.00 0.48 H new ATOM 0 HG12 VAL A 43 -4.933 -1.635 -9.570 1.00 0.48 H new ATOM 0 HG13 VAL A 43 -3.877 -2.006 -10.954 1.00 0.48 H new ATOM 0 HG21 VAL A 43 -4.857 -4.884 -11.383 1.00 0.49 H new ATOM 0 HG22 VAL A 43 -3.153 -4.369 -11.378 1.00 0.49 H new ATOM 0 HG23 VAL A 43 -3.693 -5.672 -10.292 1.00 0.49 H new ATOM 699 N LEU A 44 -2.557 -1.476 -7.479 1.00 0.26 N ATOM 700 CA LEU A 44 -2.823 -0.470 -6.401 1.00 0.29 C ATOM 701 C LEU A 44 -3.449 0.793 -7.000 1.00 0.28 C ATOM 702 O LEU A 44 -3.150 1.177 -8.116 1.00 0.34 O ATOM 703 CB LEU A 44 -1.509 -0.114 -5.700 1.00 0.40 C ATOM 704 CG LEU A 44 -1.053 -1.303 -4.851 1.00 0.53 C ATOM 705 CD1 LEU A 44 0.474 -1.375 -4.846 1.00 0.66 C ATOM 706 CD2 LEU A 44 -1.562 -1.131 -3.418 1.00 0.58 C ATOM 0 H LEU A 44 -1.701 -1.322 -8.013 1.00 0.26 H new ATOM 0 HA LEU A 44 -3.518 -0.897 -5.678 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -0.746 0.136 -6.437 1.00 0.40 H new ATOM 0 HB3 LEU A 44 -1.645 0.766 -5.071 1.00 0.40 H new ATOM 0 HG LEU A 44 -1.456 -2.224 -5.272 1.00 0.53 H new ATOM 0 HD11 LEU A 44 0.796 -2.222 -4.241 1.00 0.66 H new ATOM 0 HD12 LEU A 44 0.836 -1.500 -5.867 1.00 0.66 H new ATOM 0 HD13 LEU A 44 0.880 -0.454 -4.427 1.00 0.66 H new ATOM 0 HD21 LEU A 44 -1.238 -1.977 -2.813 1.00 0.58 H new ATOM 0 HD22 LEU A 44 -1.160 -0.209 -2.997 1.00 0.58 H new ATOM 0 HD23 LEU A 44 -2.651 -1.084 -3.422 1.00 0.58 H new ATOM 718 N GLN A 45 -4.318 1.438 -6.255 1.00 0.31 N ATOM 719 CA GLN A 45 -4.980 2.685 -6.754 1.00 0.35 C ATOM 720 C GLN A 45 -4.961 3.750 -5.647 1.00 0.37 C ATOM 721 O GLN A 45 -5.187 3.453 -4.487 1.00 0.39 O ATOM 722 CB GLN A 45 -6.437 2.392 -7.148 1.00 0.40 C ATOM 723 CG GLN A 45 -6.563 0.972 -7.717 1.00 0.47 C ATOM 724 CD GLN A 45 -7.882 0.846 -8.483 1.00 0.62 C ATOM 725 OE1 GLN A 45 -7.896 0.878 -9.697 1.00 1.00 O ATOM 726 NE2 GLN A 45 -8.999 0.703 -7.821 1.00 0.83 N ATOM 0 H GLN A 45 -4.598 1.151 -5.317 1.00 0.31 H new ATOM 0 HA GLN A 45 -4.439 3.047 -7.628 1.00 0.35 H new ATOM 0 HB2 GLN A 45 -7.084 2.501 -6.278 1.00 0.40 H new ATOM 0 HB3 GLN A 45 -6.773 3.118 -7.888 1.00 0.40 H new ATOM 0 HG2 GLN A 45 -5.724 0.758 -8.379 1.00 0.47 H new ATOM 0 HG3 GLN A 45 -6.527 0.240 -6.910 1.00 0.47 H new ATOM 0 HE21 GLN A 45 -8.988 0.676 -6.801 1.00 0.83 H new ATOM 0 HE22 GLN A 45 -9.882 0.618 -8.324 1.00 0.83 H new ATOM 735 N LYS A 46 -4.693 4.985 -6.003 1.00 0.45 N ATOM 736 CA LYS A 46 -4.654 6.084 -4.984 1.00 0.51 C ATOM 737 C LYS A 46 -6.075 6.610 -4.738 1.00 0.60 C ATOM 738 O LYS A 46 -6.557 6.615 -3.619 1.00 0.73 O ATOM 739 CB LYS A 46 -3.767 7.227 -5.497 1.00 0.52 C ATOM 740 CG LYS A 46 -2.496 7.320 -4.648 1.00 0.67 C ATOM 741 CD LYS A 46 -2.627 8.472 -3.645 1.00 0.91 C ATOM 742 CE LYS A 46 -3.266 7.959 -2.350 1.00 0.98 C ATOM 743 NZ LYS A 46 -2.552 8.531 -1.171 1.00 1.32 N ATOM 0 H LYS A 46 -4.499 5.280 -6.960 1.00 0.45 H new ATOM 0 HA LYS A 46 -4.245 5.697 -4.051 1.00 0.51 H new ATOM 0 HB2 LYS A 46 -3.506 7.056 -6.541 1.00 0.52 H new ATOM 0 HB3 LYS A 46 -4.313 8.170 -5.455 1.00 0.52 H new ATOM 0 HG2 LYS A 46 -2.331 6.381 -4.119 1.00 0.67 H new ATOM 0 HG3 LYS A 46 -1.630 7.481 -5.290 1.00 0.67 H new ATOM 0 HD2 LYS A 46 -1.646 8.897 -3.434 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -3.235 9.270 -4.071 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -4.319 8.237 -2.319 1.00 0.98 H new ATOM 0 HE3 LYS A 46 -3.223 6.870 -2.319 1.00 0.98 H new ATOM 0 HZ1 LYS A 46 -2.057 7.771 -0.662 1.00 1.32 H new ATOM 0 HZ2 LYS A 46 -1.861 9.238 -1.493 1.00 1.32 H new ATOM 0 HZ3 LYS A 46 -3.239 8.983 -0.535 1.00 1.32 H new ATOM 757 N GLY A 47 -6.744 7.053 -5.779 1.00 0.63 N ATOM 758 CA GLY A 47 -8.135 7.583 -5.626 1.00 0.78 C ATOM 759 C GLY A 47 -8.824 7.594 -6.993 1.00 0.79 C ATOM 760 O GLY A 47 -9.060 8.641 -7.569 1.00 1.00 O ATOM 0 H GLY A 47 -6.382 7.069 -6.732 1.00 0.63 H new ATOM 0 HA2 GLY A 47 -8.698 6.964 -4.927 1.00 0.78 H new ATOM 0 HA3 GLY A 47 -8.109 8.590 -5.211 1.00 0.78 H new ATOM 764 N GLY A 48 -9.136 6.432 -7.517 1.00 0.72 N ATOM 765 CA GLY A 48 -9.798 6.350 -8.857 1.00 0.84 C ATOM 766 C GLY A 48 -8.736 6.271 -9.966 1.00 0.84 C ATOM 767 O GLY A 48 -9.044 6.423 -11.134 1.00 1.16 O ATOM 0 H GLY A 48 -8.959 5.532 -7.071 1.00 0.72 H new ATOM 0 HA2 GLY A 48 -10.445 5.474 -8.899 1.00 0.84 H new ATOM 0 HA3 GLY A 48 -10.433 7.222 -9.012 1.00 0.84 H new ATOM 771 N SER A 49 -7.491 6.030 -9.608 1.00 0.67 N ATOM 772 CA SER A 49 -6.406 5.934 -10.632 1.00 0.68 C ATOM 773 C SER A 49 -5.429 4.825 -10.229 1.00 0.54 C ATOM 774 O SER A 49 -5.073 4.693 -9.071 1.00 0.48 O ATOM 775 CB SER A 49 -5.659 7.270 -10.715 1.00 0.78 C ATOM 776 OG SER A 49 -5.715 7.758 -12.050 1.00 1.27 O ATOM 0 H SER A 49 -7.184 5.896 -8.645 1.00 0.67 H new ATOM 0 HA SER A 49 -6.841 5.703 -11.605 1.00 0.68 H new ATOM 0 HB2 SER A 49 -6.106 7.993 -10.032 1.00 0.78 H new ATOM 0 HB3 SER A 49 -4.622 7.140 -10.407 1.00 0.78 H new ATOM 0 HG SER A 49 -5.240 8.613 -12.106 1.00 1.27 H new ATOM 782 N VAL A 50 -4.996 4.026 -11.176 1.00 0.54 N ATOM 783 CA VAL A 50 -4.043 2.916 -10.855 1.00 0.45 C ATOM 784 C VAL A 50 -2.617 3.472 -10.722 1.00 0.39 C ATOM 785 O VAL A 50 -2.263 4.460 -11.340 1.00 0.51 O ATOM 786 CB VAL A 50 -4.081 1.848 -11.960 1.00 0.56 C ATOM 787 CG1 VAL A 50 -5.472 1.211 -12.013 1.00 0.69 C ATOM 788 CG2 VAL A 50 -3.761 2.485 -13.319 1.00 0.68 C ATOM 0 H VAL A 50 -5.262 4.095 -12.158 1.00 0.54 H new ATOM 0 HA VAL A 50 -4.341 2.461 -9.911 1.00 0.45 H new ATOM 0 HB VAL A 50 -3.337 1.083 -11.738 1.00 0.56 H new ATOM 0 HG11 VAL A 50 -5.496 0.454 -12.797 1.00 0.69 H new ATOM 0 HG12 VAL A 50 -5.696 0.746 -11.053 1.00 0.69 H new ATOM 0 HG13 VAL A 50 -6.216 1.979 -12.227 1.00 0.69 H new ATOM 0 HG21 VAL A 50 -3.790 1.720 -14.095 1.00 0.68 H new ATOM 0 HG22 VAL A 50 -4.498 3.257 -13.542 1.00 0.68 H new ATOM 0 HG23 VAL A 50 -2.767 2.931 -13.287 1.00 0.68 H new ATOM 798 N LEU A 51 -1.803 2.832 -9.916 1.00 0.32 N ATOM 799 CA LEU A 51 -0.396 3.298 -9.723 1.00 0.32 C ATOM 800 C LEU A 51 0.550 2.374 -10.498 1.00 0.30 C ATOM 801 O LEU A 51 0.468 1.161 -10.398 1.00 0.41 O ATOM 802 CB LEU A 51 -0.038 3.272 -8.226 1.00 0.36 C ATOM 803 CG LEU A 51 -1.202 3.825 -7.392 1.00 0.38 C ATOM 804 CD1 LEU A 51 -0.877 3.689 -5.903 1.00 0.46 C ATOM 805 CD2 LEU A 51 -1.425 5.303 -7.728 1.00 0.45 C ATOM 0 H LEU A 51 -2.057 2.001 -9.381 1.00 0.32 H new ATOM 0 HA LEU A 51 -0.296 4.318 -10.093 1.00 0.32 H new ATOM 0 HB2 LEU A 51 0.188 2.252 -7.916 1.00 0.36 H new ATOM 0 HB3 LEU A 51 0.859 3.865 -8.049 1.00 0.36 H new ATOM 0 HG LEU A 51 -2.105 3.260 -7.622 1.00 0.38 H new ATOM 0 HD11 LEU A 51 -1.705 4.082 -5.313 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -0.724 2.638 -5.659 1.00 0.46 H new ATOM 0 HD13 LEU A 51 0.029 4.250 -5.676 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -2.252 5.691 -7.133 1.00 0.45 H new ATOM 0 HD22 LEU A 51 -0.520 5.868 -7.503 1.00 0.45 H new ATOM 0 HD23 LEU A 51 -1.661 5.404 -8.787 1.00 0.45 H new ATOM 817 N LYS A 52 1.439 2.942 -11.276 1.00 0.33 N ATOM 818 CA LYS A 52 2.392 2.113 -12.076 1.00 0.35 C ATOM 819 C LYS A 52 3.769 2.098 -11.404 1.00 0.30 C ATOM 820 O LYS A 52 4.197 3.078 -10.819 1.00 0.31 O ATOM 821 CB LYS A 52 2.522 2.710 -13.480 1.00 0.42 C ATOM 822 CG LYS A 52 2.904 1.613 -14.475 1.00 0.60 C ATOM 823 CD LYS A 52 1.679 1.223 -15.308 1.00 1.40 C ATOM 824 CE LYS A 52 1.247 -0.207 -14.961 1.00 2.04 C ATOM 825 NZ LYS A 52 -0.227 -0.252 -14.730 1.00 3.04 N ATOM 0 H LYS A 52 1.545 3.950 -11.391 1.00 0.33 H new ATOM 0 HA LYS A 52 2.014 1.093 -12.138 1.00 0.35 H new ATOM 0 HB2 LYS A 52 1.581 3.172 -13.777 1.00 0.42 H new ATOM 0 HB3 LYS A 52 3.278 3.496 -13.483 1.00 0.42 H new ATOM 0 HG2 LYS A 52 3.703 1.963 -15.128 1.00 0.60 H new ATOM 0 HG3 LYS A 52 3.286 0.742 -13.942 1.00 0.60 H new ATOM 0 HD2 LYS A 52 0.861 1.917 -15.115 1.00 1.40 H new ATOM 0 HD3 LYS A 52 1.913 1.294 -16.370 1.00 1.40 H new ATOM 0 HE2 LYS A 52 1.517 -0.884 -15.771 1.00 2.04 H new ATOM 0 HE3 LYS A 52 1.774 -0.549 -14.070 1.00 2.04 H new ATOM 0 HZ1 LYS A 52 -0.512 -1.224 -14.495 1.00 3.04 H new ATOM 0 HZ2 LYS A 52 -0.474 0.381 -13.943 1.00 3.04 H new ATOM 0 HZ3 LYS A 52 -0.723 0.056 -15.591 1.00 3.04 H new ATOM 839 N ASP A 53 4.465 0.989 -11.501 1.00 0.32 N ATOM 840 CA ASP A 53 5.828 0.880 -10.886 1.00 0.34 C ATOM 841 C ASP A 53 6.782 1.904 -11.527 1.00 0.35 C ATOM 842 O ASP A 53 7.762 2.306 -10.925 1.00 0.41 O ATOM 843 CB ASP A 53 6.374 -0.538 -11.105 1.00 0.39 C ATOM 844 CG ASP A 53 6.504 -0.827 -12.608 1.00 0.48 C ATOM 845 OD1 ASP A 53 5.522 -1.245 -13.200 1.00 0.59 O ATOM 846 OD2 ASP A 53 7.585 -0.625 -13.141 1.00 0.60 O ATOM 0 H ASP A 53 4.145 0.149 -11.983 1.00 0.32 H new ATOM 0 HA ASP A 53 5.755 1.085 -9.818 1.00 0.34 H new ATOM 0 HB2 ASP A 53 7.346 -0.641 -10.622 1.00 0.39 H new ATOM 0 HB3 ASP A 53 5.709 -1.268 -10.643 1.00 0.39 H new ATOM 851 N HIS A 54 6.500 2.323 -12.744 1.00 0.36 N ATOM 852 CA HIS A 54 7.379 3.317 -13.439 1.00 0.42 C ATOM 853 C HIS A 54 7.274 4.701 -12.772 1.00 0.39 C ATOM 854 O HIS A 54 8.093 5.568 -13.016 1.00 0.49 O ATOM 855 CB HIS A 54 6.950 3.430 -14.905 1.00 0.48 C ATOM 856 CG HIS A 54 7.308 2.164 -15.637 1.00 0.61 C ATOM 857 ND1 HIS A 54 6.396 1.139 -15.832 1.00 0.87 N ATOM 858 CD2 HIS A 54 8.474 1.745 -16.226 1.00 0.88 C ATOM 859 CE1 HIS A 54 7.023 0.163 -16.511 1.00 0.98 C ATOM 860 NE2 HIS A 54 8.292 0.480 -16.778 1.00 0.97 N ATOM 0 H HIS A 54 5.693 2.015 -13.286 1.00 0.36 H new ATOM 0 HA HIS A 54 8.412 2.976 -13.373 1.00 0.42 H new ATOM 0 HB2 HIS A 54 5.876 3.606 -14.967 1.00 0.48 H new ATOM 0 HB3 HIS A 54 7.441 4.283 -15.373 1.00 0.48 H new ATOM 0 HD2 HIS A 54 9.394 2.311 -16.257 1.00 0.88 H new ATOM 0 HE1 HIS A 54 6.556 -0.766 -16.805 1.00 0.98 H new ATOM 0 HE2 HIS A 54 8.980 -0.083 -17.278 1.00 0.97 H new ATOM 868 N ILE A 55 6.279 4.918 -11.937 1.00 0.32 N ATOM 869 CA ILE A 55 6.133 6.247 -11.265 1.00 0.32 C ATOM 870 C ILE A 55 6.494 6.112 -9.780 1.00 0.29 C ATOM 871 O ILE A 55 6.193 5.114 -9.145 1.00 0.33 O ATOM 872 CB ILE A 55 4.686 6.745 -11.413 1.00 0.34 C ATOM 873 CG1 ILE A 55 4.378 6.978 -12.897 1.00 0.42 C ATOM 874 CG2 ILE A 55 4.507 8.064 -10.651 1.00 0.40 C ATOM 875 CD1 ILE A 55 3.691 5.743 -13.483 1.00 0.50 C ATOM 0 H ILE A 55 5.565 4.231 -11.695 1.00 0.32 H new ATOM 0 HA ILE A 55 6.805 6.967 -11.732 1.00 0.32 H new ATOM 0 HB ILE A 55 4.007 5.996 -11.005 1.00 0.34 H new ATOM 0 HG12 ILE A 55 3.736 7.852 -13.012 1.00 0.42 H new ATOM 0 HG13 ILE A 55 5.299 7.186 -13.441 1.00 0.42 H new ATOM 0 HG21 ILE A 55 3.479 8.411 -10.760 1.00 0.40 H new ATOM 0 HG22 ILE A 55 4.726 7.907 -9.595 1.00 0.40 H new ATOM 0 HG23 ILE A 55 5.188 8.813 -11.055 1.00 0.40 H new ATOM 0 HD11 ILE A 55 3.474 5.913 -14.538 1.00 0.50 H new ATOM 0 HD12 ILE A 55 4.348 4.879 -13.383 1.00 0.50 H new ATOM 0 HD13 ILE A 55 2.761 5.555 -12.947 1.00 0.50 H new ATOM 887 N SER A 56 7.141 7.112 -9.228 1.00 0.30 N ATOM 888 CA SER A 56 7.536 7.060 -7.788 1.00 0.29 C ATOM 889 C SER A 56 6.321 7.343 -6.896 1.00 0.27 C ATOM 890 O SER A 56 5.399 8.039 -7.288 1.00 0.32 O ATOM 891 CB SER A 56 8.625 8.101 -7.514 1.00 0.34 C ATOM 892 OG SER A 56 9.693 7.486 -6.805 1.00 0.84 O ATOM 0 H SER A 56 7.412 7.965 -9.717 1.00 0.30 H new ATOM 0 HA SER A 56 7.918 6.064 -7.563 1.00 0.29 H new ATOM 0 HB2 SER A 56 8.989 8.519 -8.452 1.00 0.34 H new ATOM 0 HB3 SER A 56 8.216 8.928 -6.934 1.00 0.34 H new ATOM 0 HG SER A 56 9.601 7.674 -5.848 1.00 0.84 H new ATOM 898 N LEU A 57 6.324 6.811 -5.695 1.00 0.26 N ATOM 899 CA LEU A 57 5.185 7.041 -4.751 1.00 0.27 C ATOM 900 C LEU A 57 5.049 8.544 -4.471 1.00 0.30 C ATOM 901 O LEU A 57 3.953 9.057 -4.339 1.00 0.36 O ATOM 902 CB LEU A 57 5.445 6.298 -3.435 1.00 0.30 C ATOM 903 CG LEU A 57 5.359 4.785 -3.666 1.00 0.34 C ATOM 904 CD1 LEU A 57 6.024 4.051 -2.500 1.00 0.40 C ATOM 905 CD2 LEU A 57 3.889 4.363 -3.762 1.00 0.46 C ATOM 0 H LEU A 57 7.072 6.224 -5.327 1.00 0.26 H new ATOM 0 HA LEU A 57 4.264 6.668 -5.200 1.00 0.27 H new ATOM 0 HB2 LEU A 57 6.429 6.560 -3.047 1.00 0.30 H new ATOM 0 HB3 LEU A 57 4.715 6.602 -2.685 1.00 0.30 H new ATOM 0 HG LEU A 57 5.871 4.532 -4.595 1.00 0.34 H new ATOM 0 HD11 LEU A 57 5.963 2.975 -2.665 1.00 0.40 H new ATOM 0 HD12 LEU A 57 7.070 4.349 -2.432 1.00 0.40 H new ATOM 0 HD13 LEU A 57 5.513 4.306 -1.571 1.00 0.40 H new ATOM 0 HD21 LEU A 57 3.829 3.287 -3.926 1.00 0.46 H new ATOM 0 HD22 LEU A 57 3.376 4.617 -2.835 1.00 0.46 H new ATOM 0 HD23 LEU A 57 3.415 4.884 -4.594 1.00 0.46 H new ATOM 917 N GLU A 58 6.160 9.249 -4.388 1.00 0.30 N ATOM 918 CA GLU A 58 6.119 10.722 -4.129 1.00 0.35 C ATOM 919 C GLU A 58 5.284 11.418 -5.216 1.00 0.36 C ATOM 920 O GLU A 58 4.567 12.364 -4.940 1.00 0.42 O ATOM 921 CB GLU A 58 7.547 11.280 -4.146 1.00 0.40 C ATOM 922 CG GLU A 58 7.700 12.349 -3.058 1.00 0.64 C ATOM 923 CD GLU A 58 8.970 12.076 -2.247 1.00 0.89 C ATOM 924 OE1 GLU A 58 10.031 12.496 -2.682 1.00 1.20 O ATOM 925 OE2 GLU A 58 8.861 11.455 -1.202 1.00 1.59 O ATOM 0 H GLU A 58 7.097 8.859 -4.490 1.00 0.30 H new ATOM 0 HA GLU A 58 5.665 10.905 -3.155 1.00 0.35 H new ATOM 0 HB2 GLU A 58 8.264 10.475 -3.981 1.00 0.40 H new ATOM 0 HB3 GLU A 58 7.768 11.709 -5.123 1.00 0.40 H new ATOM 0 HG2 GLU A 58 7.751 13.339 -3.511 1.00 0.64 H new ATOM 0 HG3 GLU A 58 6.829 12.343 -2.403 1.00 0.64 H new ATOM 932 N ASP A 59 5.369 10.951 -6.445 1.00 0.35 N ATOM 933 CA ASP A 59 4.577 11.570 -7.553 1.00 0.38 C ATOM 934 C ASP A 59 3.080 11.360 -7.289 1.00 0.38 C ATOM 935 O ASP A 59 2.289 12.278 -7.406 1.00 0.45 O ATOM 936 CB ASP A 59 4.957 10.917 -8.888 1.00 0.43 C ATOM 937 CG ASP A 59 6.391 11.305 -9.263 1.00 0.49 C ATOM 938 OD1 ASP A 59 6.566 12.362 -9.849 1.00 0.70 O ATOM 939 OD2 ASP A 59 7.290 10.537 -8.961 1.00 0.68 O ATOM 0 H ASP A 59 5.956 10.165 -6.724 1.00 0.35 H new ATOM 0 HA ASP A 59 4.794 12.637 -7.599 1.00 0.38 H new ATOM 0 HB2 ASP A 59 4.872 9.833 -8.811 1.00 0.43 H new ATOM 0 HB3 ASP A 59 4.267 11.236 -9.669 1.00 0.43 H new ATOM 944 N TYR A 60 2.695 10.158 -6.921 1.00 0.37 N ATOM 945 CA TYR A 60 1.253 9.872 -6.627 1.00 0.41 C ATOM 946 C TYR A 60 0.841 10.549 -5.307 1.00 0.41 C ATOM 947 O TYR A 60 -0.335 10.701 -5.028 1.00 0.49 O ATOM 948 CB TYR A 60 1.044 8.358 -6.504 1.00 0.44 C ATOM 949 CG TYR A 60 1.044 7.720 -7.876 1.00 0.38 C ATOM 950 CD1 TYR A 60 0.111 8.126 -8.840 1.00 0.43 C ATOM 951 CD2 TYR A 60 1.974 6.718 -8.182 1.00 0.47 C ATOM 952 CE1 TYR A 60 0.110 7.530 -10.106 1.00 0.48 C ATOM 953 CE2 TYR A 60 1.972 6.123 -9.448 1.00 0.53 C ATOM 954 CZ TYR A 60 1.041 6.528 -10.411 1.00 0.51 C ATOM 955 OH TYR A 60 1.042 5.935 -11.661 1.00 0.63 O ATOM 0 H TYR A 60 3.321 9.360 -6.812 1.00 0.37 H new ATOM 0 HA TYR A 60 0.641 10.263 -7.440 1.00 0.41 H new ATOM 0 HB2 TYR A 60 1.834 7.923 -5.892 1.00 0.44 H new ATOM 0 HB3 TYR A 60 0.100 8.153 -5.999 1.00 0.44 H new ATOM 0 HD1 TYR A 60 -0.607 8.898 -8.606 1.00 0.43 H new ATOM 0 HD2 TYR A 60 2.693 6.405 -7.440 1.00 0.47 H new ATOM 0 HE1 TYR A 60 -0.609 7.843 -10.849 1.00 0.48 H new ATOM 0 HE2 TYR A 60 2.689 5.351 -9.682 1.00 0.53 H new ATOM 0 HH TYR A 60 0.722 6.578 -12.328 1.00 0.63 H new ATOM 965 N GLU A 61 1.804 10.944 -4.495 1.00 0.38 N ATOM 966 CA GLU A 61 1.504 11.604 -3.185 1.00 0.43 C ATOM 967 C GLU A 61 0.981 10.556 -2.193 1.00 0.39 C ATOM 968 O GLU A 61 -0.202 10.478 -1.912 1.00 0.58 O ATOM 969 CB GLU A 61 0.471 12.728 -3.377 1.00 0.56 C ATOM 970 CG GLU A 61 0.745 13.859 -2.377 1.00 0.70 C ATOM 971 CD GLU A 61 0.240 13.459 -0.985 1.00 0.95 C ATOM 972 OE1 GLU A 61 -0.941 13.630 -0.732 1.00 1.19 O ATOM 973 OE2 GLU A 61 1.045 12.990 -0.195 1.00 1.15 O ATOM 0 H GLU A 61 2.798 10.832 -4.693 1.00 0.38 H new ATOM 0 HA GLU A 61 2.417 12.046 -2.787 1.00 0.43 H new ATOM 0 HB2 GLU A 61 0.521 13.111 -4.396 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -0.536 12.338 -3.232 1.00 0.56 H new ATOM 0 HG2 GLU A 61 1.813 14.071 -2.339 1.00 0.70 H new ATOM 0 HG3 GLU A 61 0.250 14.773 -2.704 1.00 0.70 H new ATOM 980 N VAL A 62 1.871 9.754 -1.657 1.00 0.29 N ATOM 981 CA VAL A 62 1.460 8.707 -0.674 1.00 0.31 C ATOM 982 C VAL A 62 1.825 9.185 0.737 1.00 0.32 C ATOM 983 O VAL A 62 2.988 9.332 1.071 1.00 0.49 O ATOM 984 CB VAL A 62 2.185 7.390 -0.990 1.00 0.35 C ATOM 985 CG1 VAL A 62 1.844 6.341 0.074 1.00 0.44 C ATOM 986 CG2 VAL A 62 1.739 6.880 -2.365 1.00 0.44 C ATOM 0 H VAL A 62 2.870 9.782 -1.861 1.00 0.29 H new ATOM 0 HA VAL A 62 0.385 8.538 -0.735 1.00 0.31 H new ATOM 0 HB VAL A 62 3.261 7.565 -0.993 1.00 0.35 H new ATOM 0 HG11 VAL A 62 2.361 5.409 -0.155 1.00 0.44 H new ATOM 0 HG12 VAL A 62 2.160 6.700 1.053 1.00 0.44 H new ATOM 0 HG13 VAL A 62 0.768 6.167 0.081 1.00 0.44 H new ATOM 0 HG21 VAL A 62 2.253 5.945 -2.591 1.00 0.44 H new ATOM 0 HG22 VAL A 62 0.662 6.710 -2.358 1.00 0.44 H new ATOM 0 HG23 VAL A 62 1.984 7.622 -3.125 1.00 0.44 H new ATOM 996 N HIS A 63 0.835 9.439 1.558 1.00 0.31 N ATOM 997 CA HIS A 63 1.102 9.923 2.948 1.00 0.37 C ATOM 998 C HIS A 63 1.232 8.732 3.908 1.00 0.32 C ATOM 999 O HIS A 63 0.820 7.627 3.602 1.00 0.35 O ATOM 1000 CB HIS A 63 -0.054 10.820 3.405 1.00 0.49 C ATOM 1001 CG HIS A 63 0.487 11.971 4.209 1.00 0.80 C ATOM 1002 ND1 HIS A 63 1.181 13.018 3.625 1.00 1.15 N ATOM 1003 CD2 HIS A 63 0.445 12.251 5.552 1.00 1.37 C ATOM 1004 CE1 HIS A 63 1.527 13.872 4.605 1.00 1.53 C ATOM 1005 NE2 HIS A 63 1.102 13.452 5.801 1.00 1.66 N ATOM 0 H HIS A 63 -0.152 9.331 1.323 1.00 0.31 H new ATOM 0 HA HIS A 63 2.034 10.488 2.954 1.00 0.37 H new ATOM 0 HB2 HIS A 63 -0.602 11.193 2.540 1.00 0.49 H new ATOM 0 HB3 HIS A 63 -0.759 10.244 4.004 1.00 0.49 H new ATOM 0 HD2 HIS A 63 -0.026 11.633 6.302 1.00 1.37 H new ATOM 0 HE1 HIS A 63 2.081 14.785 4.445 1.00 1.53 H new ATOM 0 HE2 HIS A 63 1.231 13.913 6.702 1.00 1.66 H new ATOM 1013 N ASP A 64 1.796 8.957 5.073 1.00 0.33 N ATOM 1014 CA ASP A 64 1.948 7.849 6.067 1.00 0.31 C ATOM 1015 C ASP A 64 0.567 7.466 6.614 1.00 0.28 C ATOM 1016 O ASP A 64 -0.276 8.318 6.843 1.00 0.31 O ATOM 1017 CB ASP A 64 2.863 8.298 7.218 1.00 0.37 C ATOM 1018 CG ASP A 64 2.230 9.472 7.976 1.00 0.42 C ATOM 1019 OD1 ASP A 64 2.381 10.597 7.525 1.00 0.54 O ATOM 1020 OD2 ASP A 64 1.608 9.227 8.998 1.00 0.50 O ATOM 0 H ASP A 64 2.157 9.861 5.377 1.00 0.33 H new ATOM 0 HA ASP A 64 2.397 6.984 5.580 1.00 0.31 H new ATOM 0 HB2 ASP A 64 3.034 7.466 7.901 1.00 0.37 H new ATOM 0 HB3 ASP A 64 3.836 8.593 6.824 1.00 0.37 H new ATOM 1025 N GLN A 65 0.332 6.188 6.815 1.00 0.29 N ATOM 1026 CA GLN A 65 -0.992 5.720 7.340 1.00 0.31 C ATOM 1027 C GLN A 65 -2.117 6.115 6.363 1.00 0.31 C ATOM 1028 O GLN A 65 -3.243 6.358 6.766 1.00 0.41 O ATOM 1029 CB GLN A 65 -1.250 6.346 8.720 1.00 0.37 C ATOM 1030 CG GLN A 65 -0.782 5.386 9.817 1.00 0.45 C ATOM 1031 CD GLN A 65 0.468 5.952 10.498 1.00 0.57 C ATOM 1032 OE1 GLN A 65 0.402 6.426 11.615 1.00 0.83 O ATOM 1033 NE2 GLN A 65 1.612 5.923 9.869 1.00 0.62 N ATOM 0 H GLN A 65 1.007 5.444 6.636 1.00 0.29 H new ATOM 0 HA GLN A 65 -0.976 4.634 7.436 1.00 0.31 H new ATOM 0 HB2 GLN A 65 -0.721 7.295 8.804 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -2.312 6.561 8.840 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -1.575 5.243 10.551 1.00 0.45 H new ATOM 0 HG3 GLN A 65 -0.564 4.408 9.389 1.00 0.45 H new ATOM 0 HE21 GLN A 65 1.669 5.525 8.931 1.00 0.62 H new ATOM 0 HE22 GLN A 65 2.449 6.298 10.315 1.00 0.62 H new ATOM 1042 N THR A 66 -1.820 6.174 5.082 1.00 0.28 N ATOM 1043 CA THR A 66 -2.867 6.549 4.079 1.00 0.29 C ATOM 1044 C THR A 66 -3.644 5.294 3.650 1.00 0.28 C ATOM 1045 O THR A 66 -3.155 4.181 3.753 1.00 0.31 O ATOM 1046 CB THR A 66 -2.202 7.209 2.856 1.00 0.33 C ATOM 1047 OG1 THR A 66 -3.202 7.792 2.033 1.00 0.41 O ATOM 1048 CG2 THR A 66 -1.415 6.171 2.045 1.00 0.34 C ATOM 0 H THR A 66 -0.898 5.978 4.691 1.00 0.28 H new ATOM 0 HA THR A 66 -3.562 7.259 4.527 1.00 0.29 H new ATOM 0 HB THR A 66 -1.512 7.978 3.204 1.00 0.33 H new ATOM 0 HG1 THR A 66 -2.885 8.656 1.695 1.00 0.41 H new ATOM 0 HG21 THR A 66 -0.952 6.656 1.185 1.00 0.34 H new ATOM 0 HG22 THR A 66 -0.641 5.730 2.673 1.00 0.34 H new ATOM 0 HG23 THR A 66 -2.092 5.389 1.700 1.00 0.34 H new ATOM 1056 N ASN A 67 -4.852 5.472 3.169 1.00 0.29 N ATOM 1057 CA ASN A 67 -5.672 4.301 2.730 1.00 0.30 C ATOM 1058 C ASN A 67 -5.609 4.177 1.203 1.00 0.31 C ATOM 1059 O ASN A 67 -6.025 5.065 0.479 1.00 0.47 O ATOM 1060 CB ASN A 67 -7.125 4.494 3.176 1.00 0.35 C ATOM 1061 CG ASN A 67 -7.366 3.720 4.475 1.00 0.41 C ATOM 1062 OD1 ASN A 67 -7.870 2.615 4.452 1.00 0.58 O ATOM 1063 ND2 ASN A 67 -7.024 4.257 5.615 1.00 0.56 N ATOM 0 H ASN A 67 -5.305 6.380 3.062 1.00 0.29 H new ATOM 0 HA ASN A 67 -5.278 3.391 3.182 1.00 0.30 H new ATOM 0 HB2 ASN A 67 -7.333 5.553 3.327 1.00 0.35 H new ATOM 0 HB3 ASN A 67 -7.805 4.143 2.399 1.00 0.35 H new ATOM 0 HD21 ASN A 67 -7.180 3.749 6.485 1.00 0.56 H new ATOM 0 HD22 ASN A 67 -6.601 5.185 5.635 1.00 0.56 H new ATOM 1070 N LEU A 68 -5.088 3.077 0.716 1.00 0.26 N ATOM 1071 CA LEU A 68 -4.983 2.868 -0.761 1.00 0.28 C ATOM 1072 C LEU A 68 -5.950 1.758 -1.198 1.00 0.26 C ATOM 1073 O LEU A 68 -6.568 1.099 -0.379 1.00 0.27 O ATOM 1074 CB LEU A 68 -3.547 2.461 -1.115 1.00 0.34 C ATOM 1075 CG LEU A 68 -2.643 3.697 -1.113 1.00 0.54 C ATOM 1076 CD1 LEU A 68 -1.342 3.376 -0.371 1.00 0.70 C ATOM 1077 CD2 LEU A 68 -2.326 4.099 -2.557 1.00 1.08 C ATOM 0 H LEU A 68 -4.728 2.310 1.284 1.00 0.26 H new ATOM 0 HA LEU A 68 -5.241 3.793 -1.276 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -3.179 1.729 -0.396 1.00 0.34 H new ATOM 0 HB3 LEU A 68 -3.525 1.985 -2.095 1.00 0.34 H new ATOM 0 HG LEU A 68 -3.152 4.520 -0.612 1.00 0.54 H new ATOM 0 HD11 LEU A 68 -0.698 4.255 -0.369 1.00 0.70 H new ATOM 0 HD12 LEU A 68 -1.570 3.091 0.656 1.00 0.70 H new ATOM 0 HD13 LEU A 68 -0.831 2.553 -0.871 1.00 0.70 H new ATOM 0 HD21 LEU A 68 -1.683 4.979 -2.557 1.00 1.08 H new ATOM 0 HD22 LEU A 68 -1.817 3.277 -3.060 1.00 1.08 H new ATOM 0 HD23 LEU A 68 -3.253 4.328 -3.083 1.00 1.08 H new ATOM 1089 N GLU A 69 -6.078 1.548 -2.487 1.00 0.29 N ATOM 1090 CA GLU A 69 -6.992 0.482 -2.998 1.00 0.29 C ATOM 1091 C GLU A 69 -6.154 -0.697 -3.501 1.00 0.29 C ATOM 1092 O GLU A 69 -5.133 -0.513 -4.138 1.00 0.35 O ATOM 1093 CB GLU A 69 -7.838 1.036 -4.149 1.00 0.35 C ATOM 1094 CG GLU A 69 -8.837 2.068 -3.610 1.00 0.37 C ATOM 1095 CD GLU A 69 -8.296 3.484 -3.841 1.00 0.46 C ATOM 1096 OE1 GLU A 69 -8.482 4.001 -4.932 1.00 0.65 O ATOM 1097 OE2 GLU A 69 -7.705 4.030 -2.922 1.00 0.62 O ATOM 0 H GLU A 69 -5.585 2.073 -3.209 1.00 0.29 H new ATOM 0 HA GLU A 69 -7.652 0.150 -2.196 1.00 0.29 H new ATOM 0 HB2 GLU A 69 -7.193 1.497 -4.897 1.00 0.35 H new ATOM 0 HB3 GLU A 69 -8.371 0.224 -4.644 1.00 0.35 H new ATOM 0 HG2 GLU A 69 -9.799 1.951 -4.108 1.00 0.37 H new ATOM 0 HG3 GLU A 69 -9.006 1.903 -2.546 1.00 0.37 H new ATOM 1104 N LEU A 70 -6.580 -1.904 -3.218 1.00 0.29 N ATOM 1105 CA LEU A 70 -5.817 -3.103 -3.672 1.00 0.30 C ATOM 1106 C LEU A 70 -6.723 -3.987 -4.535 1.00 0.29 C ATOM 1107 O LEU A 70 -7.837 -4.304 -4.160 1.00 0.35 O ATOM 1108 CB LEU A 70 -5.329 -3.895 -2.450 1.00 0.36 C ATOM 1109 CG LEU A 70 -4.599 -5.164 -2.905 1.00 0.34 C ATOM 1110 CD1 LEU A 70 -3.430 -4.794 -3.821 1.00 0.43 C ATOM 1111 CD2 LEU A 70 -4.061 -5.909 -1.680 1.00 0.39 C ATOM 0 H LEU A 70 -7.428 -2.109 -2.689 1.00 0.29 H new ATOM 0 HA LEU A 70 -4.956 -2.786 -4.261 1.00 0.30 H new ATOM 0 HB2 LEU A 70 -4.662 -3.277 -1.849 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -6.175 -4.160 -1.816 1.00 0.36 H new ATOM 0 HG LEU A 70 -5.297 -5.801 -3.449 1.00 0.34 H new ATOM 0 HD11 LEU A 70 -2.916 -5.701 -4.140 1.00 0.43 H new ATOM 0 HD12 LEU A 70 -3.807 -4.264 -4.696 1.00 0.43 H new ATOM 0 HD13 LEU A 70 -2.733 -4.153 -3.281 1.00 0.43 H new ATOM 0 HD21 LEU A 70 -3.542 -6.812 -2.002 1.00 0.39 H new ATOM 0 HD22 LEU A 70 -3.368 -5.265 -1.138 1.00 0.39 H new ATOM 0 HD23 LEU A 70 -4.890 -6.181 -1.027 1.00 0.39 H new ATOM 1123 N TYR A 71 -6.245 -4.382 -5.690 1.00 0.30 N ATOM 1124 CA TYR A 71 -7.057 -5.247 -6.598 1.00 0.33 C ATOM 1125 C TYR A 71 -6.160 -6.337 -7.196 1.00 0.37 C ATOM 1126 O TYR A 71 -4.978 -6.131 -7.409 1.00 0.46 O ATOM 1127 CB TYR A 71 -7.648 -4.391 -7.722 1.00 0.41 C ATOM 1128 CG TYR A 71 -8.963 -3.805 -7.266 1.00 0.45 C ATOM 1129 CD1 TYR A 71 -10.152 -4.519 -7.455 1.00 0.74 C ATOM 1130 CD2 TYR A 71 -8.993 -2.546 -6.651 1.00 0.52 C ATOM 1131 CE1 TYR A 71 -11.370 -3.976 -7.031 1.00 0.92 C ATOM 1132 CE2 TYR A 71 -10.210 -2.005 -6.226 1.00 0.71 C ATOM 1133 CZ TYR A 71 -11.399 -2.719 -6.415 1.00 0.86 C ATOM 1134 OH TYR A 71 -12.599 -2.184 -5.995 1.00 1.10 O ATOM 0 H TYR A 71 -5.320 -4.139 -6.044 1.00 0.30 H new ATOM 0 HA TYR A 71 -7.866 -5.712 -6.035 1.00 0.33 H new ATOM 0 HB2 TYR A 71 -6.955 -3.593 -7.990 1.00 0.41 H new ATOM 0 HB3 TYR A 71 -7.797 -4.997 -8.616 1.00 0.41 H new ATOM 0 HD1 TYR A 71 -10.129 -5.489 -7.928 1.00 0.74 H new ATOM 0 HD2 TYR A 71 -8.076 -1.994 -6.505 1.00 0.52 H new ATOM 0 HE1 TYR A 71 -12.287 -4.526 -7.179 1.00 0.92 H new ATOM 0 HE2 TYR A 71 -10.233 -1.035 -5.751 1.00 0.71 H new ATOM 0 HH TYR A 71 -12.441 -1.307 -5.588 1.00 1.10 H new ATOM 1144 N TYR A 72 -6.712 -7.497 -7.463 1.00 0.38 N ATOM 1145 CA TYR A 72 -5.891 -8.604 -8.041 1.00 0.45 C ATOM 1146 C TYR A 72 -6.155 -8.717 -9.547 1.00 0.47 C ATOM 1147 O TYR A 72 -7.263 -8.989 -9.975 1.00 0.60 O ATOM 1148 CB TYR A 72 -6.246 -9.928 -7.352 1.00 0.50 C ATOM 1149 CG TYR A 72 -5.867 -9.868 -5.884 1.00 0.49 C ATOM 1150 CD1 TYR A 72 -4.785 -9.080 -5.462 1.00 0.64 C ATOM 1151 CD2 TYR A 72 -6.602 -10.602 -4.946 1.00 0.79 C ATOM 1152 CE1 TYR A 72 -4.443 -9.028 -4.107 1.00 0.66 C ATOM 1153 CE2 TYR A 72 -6.259 -10.549 -3.589 1.00 0.98 C ATOM 1154 CZ TYR A 72 -5.180 -9.761 -3.170 1.00 0.78 C ATOM 1155 OH TYR A 72 -4.843 -9.708 -1.832 1.00 0.98 O ATOM 0 H TYR A 72 -7.694 -7.723 -7.305 1.00 0.38 H new ATOM 0 HA TYR A 72 -4.835 -8.387 -7.879 1.00 0.45 H new ATOM 0 HB2 TYR A 72 -7.313 -10.125 -7.453 1.00 0.50 H new ATOM 0 HB3 TYR A 72 -5.723 -10.752 -7.838 1.00 0.50 H new ATOM 0 HD1 TYR A 72 -4.216 -8.513 -6.184 1.00 0.64 H new ATOM 0 HD2 TYR A 72 -7.434 -11.210 -5.269 1.00 0.79 H new ATOM 0 HE1 TYR A 72 -3.610 -8.422 -3.784 1.00 0.66 H new ATOM 0 HE2 TYR A 72 -6.827 -11.116 -2.866 1.00 0.98 H new ATOM 0 HH TYR A 72 -5.456 -10.274 -1.318 1.00 0.98 H new ATOM 1165 N LEU A 73 -5.137 -8.508 -10.347 1.00 0.48 N ATOM 1166 CA LEU A 73 -5.301 -8.599 -11.830 1.00 0.55 C ATOM 1167 C LEU A 73 -3.958 -8.981 -12.473 1.00 0.77 C ATOM 1168 O LEU A 73 -2.991 -8.258 -12.273 1.00 0.91 O ATOM 1169 CB LEU A 73 -5.784 -7.247 -12.377 1.00 0.52 C ATOM 1170 CG LEU A 73 -6.969 -7.467 -13.322 1.00 0.93 C ATOM 1171 CD1 LEU A 73 -8.100 -6.500 -12.959 1.00 1.30 C ATOM 1172 CD2 LEU A 73 -6.522 -7.218 -14.767 1.00 1.26 C ATOM 1173 OXT LEU A 73 -3.917 -9.996 -13.149 1.00 1.02 O ATOM 0 H LEU A 73 -4.194 -8.277 -10.033 1.00 0.48 H new ATOM 0 HA LEU A 73 -6.040 -9.364 -12.070 1.00 0.55 H new ATOM 0 HB2 LEU A 73 -6.078 -6.595 -11.555 1.00 0.52 H new ATOM 0 HB3 LEU A 73 -4.973 -6.747 -12.906 1.00 0.52 H new ATOM 0 HG LEU A 73 -7.327 -8.492 -13.225 1.00 0.93 H new ATOM 0 HD11 LEU A 73 -8.943 -6.657 -13.632 1.00 1.30 H new ATOM 0 HD12 LEU A 73 -8.417 -6.680 -11.932 1.00 1.30 H new ATOM 0 HD13 LEU A 73 -7.746 -5.474 -13.055 1.00 1.30 H new ATOM 0 HD21 LEU A 73 -7.365 -7.374 -15.441 1.00 1.26 H new ATOM 0 HD22 LEU A 73 -6.164 -6.193 -14.866 1.00 1.26 H new ATOM 0 HD23 LEU A 73 -5.719 -7.909 -15.024 1.00 1.26 H new TER 1185 LEU A 73