USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 25 TYR OH : rot 180:sc= -0.26 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 57 THR OG1 : rot -80:sc= 0.793 USER MOD Set 1.4: A 64 SER OG : rot 90:sc= -2.93! USER MOD Single : A 1 MET CE :methyl -146:sc= -3.65 (180deg=-5.86!) USER MOD Single : A 1 MET N :NH3+ -116:sc= 1.13 (180deg=-0.392!) USER MOD Single : A 4 LYS NZ :NH3+ -109:sc= -2.8 (180deg=-7.54!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.8!) USER MOD Single : A 15 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.02 K(o=-2,f=-7.7!) USER MOD Single : A 37 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.27) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -172:sc= -1.24 (180deg=-1.38) USER MOD Single : A 44 ASN : amide:sc= -5.41! C(o=-5.4!,f=-4.3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.0437 (180deg=-0.379) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.241 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.692 (180deg=-1.58) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -105:sc= -0.205 (180deg=-3.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.530 -10.192 8.436 1.00 0.00 N ATOM 2 CA MET A 1 -11.108 -10.474 8.533 1.00 0.00 C ATOM 3 C MET A 1 -10.527 -9.919 9.835 1.00 0.00 C ATOM 4 O MET A 1 -11.226 -9.254 10.597 1.00 0.00 O ATOM 5 CB MET A 1 -10.381 -9.847 7.341 1.00 0.00 C ATOM 6 CG MET A 1 -10.632 -8.339 7.277 1.00 0.00 C ATOM 7 SD MET A 1 -12.220 -8.016 6.529 1.00 0.00 S ATOM 8 CE MET A 1 -12.393 -6.280 6.906 1.00 0.00 C ATOM 0 H1 MET A 1 -13.062 -11.086 8.437 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.825 -9.613 9.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.722 -9.676 7.554 1.00 0.00 H new ATOM 0 HA MET A 1 -10.969 -11.555 8.527 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.311 -10.038 7.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.720 -10.315 6.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.600 -7.914 8.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.844 -7.855 6.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.443 -6.049 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.813 -6.042 7.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.028 -5.687 6.067 1.00 0.00 H new ATOM 18 N ASP A 2 -9.253 -10.214 10.049 1.00 0.00 N ATOM 19 CA ASP A 2 -8.570 -9.753 11.246 1.00 0.00 C ATOM 20 C ASP A 2 -7.625 -8.607 10.880 1.00 0.00 C ATOM 21 O ASP A 2 -7.092 -8.567 9.771 1.00 0.00 O ATOM 22 CB ASP A 2 -7.734 -10.873 11.869 1.00 0.00 C ATOM 23 CG ASP A 2 -8.404 -11.610 13.031 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.439 -12.260 12.769 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.866 -11.506 14.154 1.00 0.00 O ATOM 0 H ASP A 2 -8.676 -10.766 9.414 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.326 -9.426 11.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.488 -11.597 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.793 -10.451 12.221 1.00 0.00 H new ATOM 30 N ILE A 3 -7.446 -7.703 11.831 1.00 0.00 N ATOM 31 CA ILE A 3 -6.575 -6.559 11.622 1.00 0.00 C ATOM 32 C ILE A 3 -5.671 -6.382 12.844 1.00 0.00 C ATOM 33 O ILE A 3 -6.112 -6.558 13.978 1.00 0.00 O ATOM 34 CB ILE A 3 -7.397 -5.315 11.280 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.305 -5.571 10.076 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.491 -4.100 11.066 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.771 -4.255 9.450 1.00 0.00 C ATOM 0 H ILE A 3 -7.889 -7.739 12.749 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.924 -6.728 10.765 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.043 -5.090 12.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.771 -6.162 9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.170 -6.156 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.101 -3.229 10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.924 -3.904 11.976 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.802 -4.300 10.245 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.415 -4.466 8.596 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.326 -3.677 10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.905 -3.683 9.118 1.00 0.00 H new ATOM 49 N LYS A 4 -4.421 -6.035 12.571 1.00 0.00 N ATOM 50 CA LYS A 4 -3.451 -5.832 13.633 1.00 0.00 C ATOM 51 C LYS A 4 -2.685 -4.533 13.377 1.00 0.00 C ATOM 52 O LYS A 4 -1.951 -4.424 12.396 1.00 0.00 O ATOM 53 CB LYS A 4 -2.550 -7.060 13.778 1.00 0.00 C ATOM 54 CG LYS A 4 -1.587 -7.175 12.594 1.00 0.00 C ATOM 55 CD LYS A 4 -0.803 -8.488 12.651 1.00 0.00 C ATOM 56 CE LYS A 4 -1.653 -9.656 12.147 1.00 0.00 C ATOM 57 NZ LYS A 4 -0.791 -10.801 11.776 1.00 0.00 N ATOM 0 H LYS A 4 -4.058 -5.889 11.629 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.955 -5.721 14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.984 -6.993 14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.162 -7.959 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.146 -7.121 11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.895 -6.333 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.100 -8.403 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.484 -8.681 13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.359 -9.960 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.240 -9.341 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.785 -10.910 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.178 -10.629 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.160 -11.669 12.213 1.00 0.00 H new ATOM 71 N ILE A 5 -2.882 -3.580 14.277 1.00 0.00 N ATOM 72 CA ILE A 5 -2.218 -2.293 14.160 1.00 0.00 C ATOM 73 C ILE A 5 -0.715 -2.477 14.376 1.00 0.00 C ATOM 74 O ILE A 5 -0.269 -2.710 15.499 1.00 0.00 O ATOM 75 CB ILE A 5 -2.855 -1.274 15.108 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.341 -1.086 14.793 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.092 0.052 15.081 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.162 -0.958 16.078 1.00 0.00 C ATOM 0 H ILE A 5 -3.491 -3.674 15.089 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.349 -1.887 13.157 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.787 -1.664 16.124 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.477 -0.195 14.180 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.703 -1.932 14.209 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.565 0.758 15.763 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.060 -0.115 15.390 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.106 0.459 14.070 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.214 -0.825 15.826 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.043 -1.861 16.677 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.814 -0.096 16.648 1.00 0.00 H new ATOM 90 N ILE A 6 0.026 -2.366 13.283 1.00 0.00 N ATOM 91 CA ILE A 6 1.470 -2.518 13.339 1.00 0.00 C ATOM 92 C ILE A 6 2.074 -1.331 14.092 1.00 0.00 C ATOM 93 O ILE A 6 2.498 -1.470 15.238 1.00 0.00 O ATOM 94 CB ILE A 6 2.043 -2.711 11.934 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.676 -4.088 11.376 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.554 -2.470 11.920 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.683 -5.148 11.827 1.00 0.00 C ATOM 0 H ILE A 6 -0.347 -2.173 12.353 1.00 0.00 H new ATOM 0 HA ILE A 6 1.738 -3.417 13.893 1.00 0.00 H new ATOM 0 HB ILE A 6 1.593 -1.967 11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.676 -4.365 11.710 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.648 -4.048 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.936 -2.614 10.909 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.763 -1.451 12.245 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.041 -3.173 12.595 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.399 -6.117 11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.678 -4.880 11.470 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.691 -5.203 12.916 1.00 0.00 H new ATOM 109 N LYS A 7 2.094 -0.191 13.417 1.00 0.00 N ATOM 110 CA LYS A 7 2.640 1.019 14.008 1.00 0.00 C ATOM 111 C LYS A 7 1.750 2.208 13.639 1.00 0.00 C ATOM 112 O LYS A 7 0.968 2.132 12.693 1.00 0.00 O ATOM 113 CB LYS A 7 4.105 1.199 13.605 1.00 0.00 C ATOM 114 CG LYS A 7 5.042 0.679 14.697 1.00 0.00 C ATOM 115 CD LYS A 7 6.049 -0.321 14.126 1.00 0.00 C ATOM 116 CE LYS A 7 6.658 -1.181 15.235 1.00 0.00 C ATOM 117 NZ LYS A 7 7.900 -1.833 14.763 1.00 0.00 N ATOM 0 H LYS A 7 1.741 -0.080 12.467 1.00 0.00 H new ATOM 0 HA LYS A 7 2.640 0.945 15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.297 0.668 12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.308 2.254 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.573 1.514 15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.459 0.203 15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.556 -0.961 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.840 0.214 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.874 -0.562 16.106 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.941 -1.938 15.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.300 -2.413 15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.685 -2.439 13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.589 -1.106 14.483 1.00 0.00 H new ATOM 131 N ASP A 8 1.899 3.278 14.406 1.00 0.00 N ATOM 132 CA ASP A 8 1.119 4.481 14.171 1.00 0.00 C ATOM 133 C ASP A 8 2.064 5.675 14.018 1.00 0.00 C ATOM 134 O ASP A 8 2.717 6.081 14.978 1.00 0.00 O ATOM 135 CB ASP A 8 0.182 4.767 15.346 1.00 0.00 C ATOM 136 CG ASP A 8 -0.077 6.250 15.621 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.065 7.020 14.636 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.281 6.580 16.809 1.00 0.00 O ATOM 0 H ASP A 8 2.548 3.337 15.191 1.00 0.00 H new ATOM 0 HA ASP A 8 0.529 4.329 13.267 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.773 4.276 15.158 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.602 4.314 16.244 1.00 0.00 H new ATOM 143 N LYS A 9 2.106 6.203 12.804 1.00 0.00 N ATOM 144 CA LYS A 9 2.960 7.342 12.513 1.00 0.00 C ATOM 145 C LYS A 9 2.089 8.562 12.205 1.00 0.00 C ATOM 146 O LYS A 9 1.034 8.435 11.585 1.00 0.00 O ATOM 147 CB LYS A 9 3.952 6.998 11.400 1.00 0.00 C ATOM 148 CG LYS A 9 4.539 8.266 10.777 1.00 0.00 C ATOM 149 CD LYS A 9 6.027 8.088 10.470 1.00 0.00 C ATOM 150 CE LYS A 9 6.504 9.123 9.449 1.00 0.00 C ATOM 151 NZ LYS A 9 6.669 8.499 8.117 1.00 0.00 N ATOM 0 H LYS A 9 1.563 5.863 12.010 1.00 0.00 H new ATOM 0 HA LYS A 9 3.567 7.594 13.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.755 6.381 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.452 6.409 10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.001 8.507 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.402 9.107 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.606 8.185 11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.205 7.084 10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.785 9.940 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.450 9.555 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.993 9.215 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.372 7.735 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.758 8.108 7.801 1.00 0.00 H new ATOM 165 N LYS A 10 2.562 9.716 12.652 1.00 0.00 N ATOM 166 CA LYS A 10 1.840 10.957 12.431 1.00 0.00 C ATOM 167 C LYS A 10 2.666 11.868 11.522 1.00 0.00 C ATOM 168 O LYS A 10 3.896 11.830 11.550 1.00 0.00 O ATOM 169 CB LYS A 10 1.461 11.600 13.767 1.00 0.00 C ATOM 170 CG LYS A 10 -0.045 11.864 13.840 1.00 0.00 C ATOM 171 CD LYS A 10 -0.350 13.047 14.761 1.00 0.00 C ATOM 172 CE LYS A 10 -1.607 13.789 14.302 1.00 0.00 C ATOM 173 NZ LYS A 10 -2.817 12.988 14.594 1.00 0.00 N ATOM 0 H LYS A 10 3.437 9.818 13.166 1.00 0.00 H new ATOM 0 HA LYS A 10 0.898 10.764 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.760 10.947 14.587 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.005 12.537 13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.431 12.067 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.557 10.973 14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.486 12.692 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.498 13.732 14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.672 14.753 14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.547 13.991 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.661 13.506 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.760 12.078 14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.881 12.816 15.618 1.00 0.00 H new ATOM 187 N ASN A 11 1.958 12.667 10.737 1.00 0.00 N ATOM 188 CA ASN A 11 2.611 13.587 9.821 1.00 0.00 C ATOM 189 C ASN A 11 1.809 14.888 9.754 1.00 0.00 C ATOM 190 O ASN A 11 0.834 14.983 9.011 1.00 0.00 O ATOM 191 CB ASN A 11 2.681 13.002 8.410 1.00 0.00 C ATOM 192 CG ASN A 11 3.581 13.850 7.509 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.255 14.768 7.947 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.555 13.492 6.228 1.00 0.00 N ATOM 0 H ASN A 11 0.939 12.696 10.716 1.00 0.00 H new ATOM 0 HA ASN A 11 3.622 13.767 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.062 11.982 8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.679 12.950 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.122 13.996 5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.968 12.714 5.928 1.00 0.00 H new ATOM 201 N PRO A 12 2.261 15.884 10.563 1.00 0.00 N ATOM 202 CA PRO A 12 1.596 17.176 10.602 1.00 0.00 C ATOM 203 C PRO A 12 1.919 17.997 9.352 1.00 0.00 C ATOM 204 O PRO A 12 1.241 18.981 9.059 1.00 0.00 O ATOM 205 CB PRO A 12 2.084 17.830 11.885 1.00 0.00 C ATOM 206 CG PRO A 12 3.350 17.086 12.277 1.00 0.00 C ATOM 207 CD PRO A 12 3.412 15.808 11.457 1.00 0.00 C ATOM 0 HA PRO A 12 0.509 17.090 10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.286 18.890 11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.331 17.760 12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.229 17.703 12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.343 16.856 13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.345 15.742 10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.360 14.926 12.095 1.00 0.00 H new ATOM 215 N LEU A 13 2.954 17.563 8.649 1.00 0.00 N ATOM 216 CA LEU A 13 3.375 18.245 7.437 1.00 0.00 C ATOM 217 C LEU A 13 2.255 18.166 6.397 1.00 0.00 C ATOM 218 O LEU A 13 1.693 19.188 6.007 1.00 0.00 O ATOM 219 CB LEU A 13 4.712 17.688 6.945 1.00 0.00 C ATOM 220 CG LEU A 13 5.849 17.670 7.968 1.00 0.00 C ATOM 221 CD1 LEU A 13 7.110 17.037 7.376 1.00 0.00 C ATOM 222 CD2 LEU A 13 6.116 19.073 8.516 1.00 0.00 C ATOM 0 H LEU A 13 3.514 16.747 8.895 1.00 0.00 H new ATOM 0 HA LEU A 13 3.551 19.302 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.551 16.669 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.033 18.276 6.085 1.00 0.00 H new ATOM 0 HG LEU A 13 5.541 17.049 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.903 17.037 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.895 16.012 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.432 17.611 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.929 19.032 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.394 19.737 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.216 19.452 9.001 1.00 0.00 H new ATOM 234 N LEU A 14 1.965 16.943 5.979 1.00 0.00 N ATOM 235 CA LEU A 14 0.923 16.717 4.992 1.00 0.00 C ATOM 236 C LEU A 14 -0.444 16.788 5.676 1.00 0.00 C ATOM 237 O LEU A 14 -1.473 16.874 5.007 1.00 0.00 O ATOM 238 CB LEU A 14 1.169 15.406 4.243 1.00 0.00 C ATOM 239 CG LEU A 14 2.553 15.243 3.612 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.757 13.817 3.098 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.781 16.286 2.516 1.00 0.00 C ATOM 0 H LEU A 14 2.433 16.098 6.306 1.00 0.00 H new ATOM 0 HA LEU A 14 0.941 17.499 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.008 14.580 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.420 15.314 3.457 1.00 0.00 H new ATOM 0 HG LEU A 14 3.303 15.417 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.749 13.729 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.666 13.115 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.001 13.590 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.772 16.149 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.026 16.168 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.707 17.286 2.944 1.00 0.00 H new ATOM 253 N ASN A 15 -0.411 16.748 7.000 1.00 0.00 N ATOM 254 CA ASN A 15 -1.635 16.807 7.781 1.00 0.00 C ATOM 255 C ASN A 15 -2.374 15.472 7.663 1.00 0.00 C ATOM 256 O ASN A 15 -3.597 15.446 7.527 1.00 0.00 O ATOM 257 CB ASN A 15 -2.564 17.909 7.268 1.00 0.00 C ATOM 258 CG ASN A 15 -3.533 18.362 8.361 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.690 17.976 8.400 1.00 0.00 O ATOM 260 ND2 ASN A 15 -2.999 19.201 9.244 1.00 0.00 N ATOM 0 H ASN A 15 0.444 16.675 7.552 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.365 17.017 8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.972 18.758 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.125 17.545 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.565 19.561 10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.023 19.484 9.153 1.00 0.00 H new ATOM 267 N ARG A 16 -1.602 14.397 7.720 1.00 0.00 N ATOM 268 CA ARG A 16 -2.168 13.063 7.622 1.00 0.00 C ATOM 269 C ARG A 16 -1.589 12.159 8.711 1.00 0.00 C ATOM 270 O ARG A 16 -0.870 12.626 9.593 1.00 0.00 O ATOM 271 CB ARG A 16 -1.885 12.444 6.251 1.00 0.00 C ATOM 272 CG ARG A 16 -0.405 12.086 6.106 1.00 0.00 C ATOM 273 CD ARG A 16 -0.066 11.730 4.658 1.00 0.00 C ATOM 274 NE ARG A 16 1.246 11.048 4.598 1.00 0.00 N ATOM 275 CZ ARG A 16 1.900 10.776 3.460 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.369 11.127 2.281 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.086 10.153 3.502 1.00 0.00 N ATOM 0 H ARG A 16 -0.589 14.423 7.833 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.247 13.150 7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.494 11.549 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.172 13.143 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.209 12.926 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.165 11.245 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.840 11.084 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.044 12.633 4.048 1.00 0.00 H new ATOM 0 HE ARG A 16 1.680 10.767 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.467 11.601 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.867 10.920 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.490 9.886 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.584 9.946 2.636 1.00 0.00 H new ATOM 291 N ARG A 17 -1.924 10.880 8.615 1.00 0.00 N ATOM 292 CA ARG A 17 -1.446 9.906 9.581 1.00 0.00 C ATOM 293 C ARG A 17 -1.108 8.588 8.883 1.00 0.00 C ATOM 294 O ARG A 17 -1.932 8.039 8.154 1.00 0.00 O ATOM 295 CB ARG A 17 -2.493 9.648 10.666 1.00 0.00 C ATOM 296 CG ARG A 17 -1.861 9.689 12.059 1.00 0.00 C ATOM 297 CD ARG A 17 -2.345 8.517 12.916 1.00 0.00 C ATOM 298 NE ARG A 17 -3.079 9.023 14.097 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.209 8.347 15.247 1.00 0.00 C ATOM 300 NH1 ARG A 17 -2.655 7.134 15.377 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.894 8.884 16.266 1.00 0.00 N ATOM 0 H ARG A 17 -2.521 10.496 7.882 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.549 10.314 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.283 10.396 10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.959 8.676 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.775 9.655 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.112 10.630 12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.992 7.867 12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.495 7.915 13.236 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.513 9.944 14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.134 6.725 14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.754 6.619 16.252 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.316 9.807 16.166 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.993 8.370 17.141 1.00 0.00 H new ATOM 315 N GLU A 18 0.105 8.117 9.132 1.00 0.00 N ATOM 316 CA GLU A 18 0.562 6.873 8.536 1.00 0.00 C ATOM 317 C GLU A 18 0.399 5.719 9.528 1.00 0.00 C ATOM 318 O GLU A 18 1.112 5.649 10.528 1.00 0.00 O ATOM 319 CB GLU A 18 2.013 6.991 8.066 1.00 0.00 C ATOM 320 CG GLU A 18 2.195 8.202 7.148 1.00 0.00 C ATOM 321 CD GLU A 18 1.685 7.902 5.737 1.00 0.00 C ATOM 322 OE1 GLU A 18 0.450 7.772 5.596 1.00 0.00 O ATOM 323 OE2 GLU A 18 2.542 7.809 4.832 1.00 0.00 O ATOM 0 H GLU A 18 0.786 8.575 9.739 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.053 6.664 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.672 7.082 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.303 6.083 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.659 9.058 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.249 8.477 7.107 1.00 0.00 H new ATOM 330 N LEU A 19 -0.543 4.842 9.216 1.00 0.00 N ATOM 331 CA LEU A 19 -0.809 3.694 10.066 1.00 0.00 C ATOM 332 C LEU A 19 -0.547 2.409 9.278 1.00 0.00 C ATOM 333 O LEU A 19 -0.947 2.293 8.121 1.00 0.00 O ATOM 334 CB LEU A 19 -2.219 3.778 10.654 1.00 0.00 C ATOM 335 CG LEU A 19 -2.638 5.144 11.201 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.726 5.773 10.329 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.066 5.041 12.666 1.00 0.00 C ATOM 0 H LEU A 19 -1.132 4.903 8.386 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.132 3.688 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.931 3.484 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.300 3.047 11.458 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.773 5.806 11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.006 6.743 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.349 5.903 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.599 5.121 10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.359 6.026 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.910 4.357 12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.234 4.666 13.263 1.00 0.00 H new ATOM 349 N ASP A 20 0.124 1.476 9.937 1.00 0.00 N ATOM 350 CA ASP A 20 0.445 0.203 9.313 1.00 0.00 C ATOM 351 C ASP A 20 -0.230 -0.927 10.092 1.00 0.00 C ATOM 352 O ASP A 20 -0.323 -0.872 11.317 1.00 0.00 O ATOM 353 CB ASP A 20 1.954 -0.051 9.323 1.00 0.00 C ATOM 354 CG ASP A 20 2.675 0.286 8.017 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.963 0.473 7.007 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.923 0.350 8.058 1.00 0.00 O ATOM 0 H ASP A 20 0.454 1.576 10.897 1.00 0.00 H new ATOM 0 HA ASP A 20 0.092 0.235 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.400 0.533 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.129 -1.101 9.556 1.00 0.00 H new ATOM 361 N PHE A 21 -0.685 -1.926 9.349 1.00 0.00 N ATOM 362 CA PHE A 21 -1.349 -3.067 9.955 1.00 0.00 C ATOM 363 C PHE A 21 -1.341 -4.271 9.012 1.00 0.00 C ATOM 364 O PHE A 21 -1.048 -4.132 7.825 1.00 0.00 O ATOM 365 CB PHE A 21 -2.798 -2.652 10.221 1.00 0.00 C ATOM 366 CG PHE A 21 -3.582 -2.287 8.959 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.406 -1.071 8.377 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.455 -3.179 8.419 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.134 -0.732 7.206 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.183 -2.840 7.248 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.007 -1.624 6.666 1.00 0.00 C ATOM 0 H PHE A 21 -0.607 -1.968 8.333 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.833 -3.354 10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.311 -3.467 10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.802 -1.798 10.899 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.712 -0.363 8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.595 -4.145 8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.994 0.234 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.877 -3.548 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.560 -1.366 5.775 1.00 0.00 H new ATOM 381 N ILE A 22 -1.665 -5.426 9.574 1.00 0.00 N ATOM 382 CA ILE A 22 -1.698 -6.654 8.798 1.00 0.00 C ATOM 383 C ILE A 22 -3.121 -7.217 8.804 1.00 0.00 C ATOM 384 O ILE A 22 -3.745 -7.325 9.858 1.00 0.00 O ATOM 385 CB ILE A 22 -0.644 -7.639 9.307 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.742 -6.993 9.335 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.659 -8.930 8.487 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.383 -7.009 7.946 1.00 0.00 C ATOM 0 H ILE A 22 -1.907 -5.537 10.559 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.438 -6.455 7.758 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.894 -7.907 10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.661 -5.966 9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.381 -7.525 10.040 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.100 -9.613 8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.640 -9.398 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.447 -8.700 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.368 -6.544 7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.485 -8.039 7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.754 -6.456 7.249 1.00 0.00 H new ATOM 400 N VAL A 23 -3.591 -7.562 7.614 1.00 0.00 N ATOM 401 CA VAL A 23 -4.928 -8.112 7.469 1.00 0.00 C ATOM 402 C VAL A 23 -4.834 -9.627 7.277 1.00 0.00 C ATOM 403 O VAL A 23 -4.152 -10.100 6.370 1.00 0.00 O ATOM 404 CB VAL A 23 -5.662 -7.409 6.325 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.138 -7.811 6.291 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.509 -5.890 6.427 1.00 0.00 C ATOM 0 H VAL A 23 -3.070 -7.471 6.742 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.514 -7.934 8.371 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.207 -7.729 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.636 -7.297 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.218 -8.889 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.612 -7.534 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.040 -5.415 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.925 -5.545 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.452 -5.627 6.378 1.00 0.00 H new ATOM 416 N LYS A 24 -5.529 -10.345 8.146 1.00 0.00 N ATOM 417 CA LYS A 24 -5.533 -11.797 8.084 1.00 0.00 C ATOM 418 C LYS A 24 -6.962 -12.290 7.850 1.00 0.00 C ATOM 419 O LYS A 24 -7.923 -11.618 8.222 1.00 0.00 O ATOM 420 CB LYS A 24 -4.875 -12.388 9.333 1.00 0.00 C ATOM 421 CG LYS A 24 -3.399 -12.701 9.079 1.00 0.00 C ATOM 422 CD LYS A 24 -2.651 -12.920 10.396 1.00 0.00 C ATOM 423 CE LYS A 24 -1.241 -13.458 10.142 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.165 -14.895 10.490 1.00 0.00 N ATOM 0 H LYS A 24 -6.094 -9.949 8.897 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.934 -12.144 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.964 -11.686 10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.398 -13.298 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.314 -13.591 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.939 -11.881 8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.592 -11.981 10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.205 -13.621 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.974 -13.317 9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.519 -12.896 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.202 -15.245 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.399 -15.022 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.841 -15.429 9.907 1.00 0.00 H new ATOM 438 N TYR A 25 -7.057 -13.459 7.234 1.00 0.00 N ATOM 439 CA TYR A 25 -8.353 -14.050 6.946 1.00 0.00 C ATOM 440 C TYR A 25 -8.212 -15.528 6.576 1.00 0.00 C ATOM 441 O TYR A 25 -7.108 -16.004 6.319 1.00 0.00 O ATOM 442 CB TYR A 25 -8.906 -13.285 5.741 1.00 0.00 C ATOM 443 CG TYR A 25 -7.862 -12.979 4.666 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.114 -11.822 4.740 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.669 -13.860 3.621 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.131 -11.533 3.728 1.00 0.00 C ATOM 447 CE2 TYR A 25 -6.686 -13.571 2.609 1.00 0.00 C ATOM 448 CZ TYR A 25 -5.966 -12.423 2.712 1.00 0.00 C ATOM 449 OH TYR A 25 -5.038 -12.150 1.756 1.00 0.00 O ATOM 0 H TYR A 25 -6.258 -14.013 6.926 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.006 -13.988 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.713 -13.866 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.341 -12.348 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.266 -11.133 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.255 -14.765 3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.539 -10.631 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.525 -14.252 1.786 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.028 -12.872 1.094 1.00 0.00 H new ATOM 459 N GLU A 26 -9.347 -16.212 6.560 1.00 0.00 N ATOM 460 CA GLU A 26 -9.364 -17.626 6.226 1.00 0.00 C ATOM 461 C GLU A 26 -10.397 -17.900 5.131 1.00 0.00 C ATOM 462 O GLU A 26 -11.447 -18.484 5.396 1.00 0.00 O ATOM 463 CB GLU A 26 -9.638 -18.479 7.466 1.00 0.00 C ATOM 464 CG GLU A 26 -8.333 -18.879 8.156 1.00 0.00 C ATOM 465 CD GLU A 26 -8.102 -20.389 8.058 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.952 -21.130 8.597 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.080 -20.767 7.446 1.00 0.00 O ATOM 0 H GLU A 26 -10.261 -15.813 6.773 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.380 -17.902 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.266 -17.923 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.192 -19.374 7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.498 -18.349 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.364 -18.579 9.204 1.00 0.00 H new ATOM 474 N GLY A 27 -10.063 -17.466 3.925 1.00 0.00 N ATOM 475 CA GLY A 27 -10.949 -17.658 2.789 1.00 0.00 C ATOM 476 C GLY A 27 -10.730 -16.572 1.733 1.00 0.00 C ATOM 477 O GLY A 27 -9.598 -16.155 1.492 1.00 0.00 O ATOM 0 H GLY A 27 -9.191 -16.982 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.774 -18.639 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.986 -17.640 3.125 1.00 0.00 H new ATOM 481 N SER A 28 -11.831 -16.145 1.132 1.00 0.00 N ATOM 482 CA SER A 28 -11.773 -15.116 0.108 1.00 0.00 C ATOM 483 C SER A 28 -11.103 -13.859 0.667 1.00 0.00 C ATOM 484 O SER A 28 -11.177 -13.592 1.865 1.00 0.00 O ATOM 485 CB SER A 28 -13.171 -14.782 -0.417 1.00 0.00 C ATOM 486 OG SER A 28 -13.579 -15.672 -1.452 1.00 0.00 O ATOM 0 H SER A 28 -12.768 -16.493 1.335 1.00 0.00 H new ATOM 0 HA SER A 28 -11.182 -15.496 -0.725 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.887 -14.828 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.182 -13.759 -0.793 1.00 0.00 H new ATOM 0 HG SER A 28 -14.477 -15.427 -1.759 1.00 0.00 H new ATOM 492 N THR A 29 -10.463 -13.121 -0.229 1.00 0.00 N ATOM 493 CA THR A 29 -9.780 -11.899 0.159 1.00 0.00 C ATOM 494 C THR A 29 -10.793 -10.786 0.435 1.00 0.00 C ATOM 495 O THR A 29 -11.778 -10.645 -0.288 1.00 0.00 O ATOM 496 CB THR A 29 -8.776 -11.548 -0.941 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.632 -12.341 -0.633 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.271 -10.108 -0.836 1.00 0.00 C ATOM 0 H THR A 29 -10.403 -13.346 -1.222 1.00 0.00 H new ATOM 0 HA THR A 29 -9.230 -12.033 1.090 1.00 0.00 H new ATOM 0 HB THR A 29 -9.239 -11.699 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.931 -12.176 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.562 -9.912 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.113 -9.420 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.778 -9.964 0.126 1.00 0.00 H new ATOM 506 N PRO A 30 -10.508 -10.003 1.509 1.00 0.00 N ATOM 507 CA PRO A 30 -11.383 -8.906 1.889 1.00 0.00 C ATOM 508 C PRO A 30 -11.219 -7.719 0.938 1.00 0.00 C ATOM 509 O PRO A 30 -10.271 -7.673 0.155 1.00 0.00 O ATOM 510 CB PRO A 30 -10.999 -8.576 3.323 1.00 0.00 C ATOM 511 CG PRO A 30 -9.620 -9.179 3.535 1.00 0.00 C ATOM 512 CD PRO A 30 -9.350 -10.140 2.388 1.00 0.00 C ATOM 0 HA PRO A 30 -12.439 -9.168 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.983 -7.498 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.720 -8.993 4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.862 -8.397 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.575 -9.702 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.426 -9.886 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.244 -11.164 2.746 1.00 0.00 H new ATOM 520 N SER A 31 -12.158 -6.789 1.036 1.00 0.00 N ATOM 521 CA SER A 31 -12.129 -5.606 0.194 1.00 0.00 C ATOM 522 C SER A 31 -11.508 -4.435 0.958 1.00 0.00 C ATOM 523 O SER A 31 -11.342 -4.501 2.175 1.00 0.00 O ATOM 524 CB SER A 31 -13.535 -5.239 -0.288 1.00 0.00 C ATOM 525 OG SER A 31 -14.178 -6.332 -0.938 1.00 0.00 O ATOM 0 H SER A 31 -12.943 -6.831 1.686 1.00 0.00 H new ATOM 0 HA SER A 31 -11.519 -5.824 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.137 -4.917 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.474 -4.394 -0.974 1.00 0.00 H new ATOM 0 HG SER A 31 -15.073 -6.059 -1.229 1.00 0.00 H new ATOM 531 N ARG A 32 -11.182 -3.389 0.212 1.00 0.00 N ATOM 532 CA ARG A 32 -10.583 -2.205 0.803 1.00 0.00 C ATOM 533 C ARG A 32 -11.592 -1.495 1.708 1.00 0.00 C ATOM 534 O ARG A 32 -11.246 -1.053 2.803 1.00 0.00 O ATOM 535 CB ARG A 32 -10.104 -1.233 -0.276 1.00 0.00 C ATOM 536 CG ARG A 32 -8.681 -1.570 -0.726 1.00 0.00 C ATOM 537 CD ARG A 32 -8.682 -2.212 -2.115 1.00 0.00 C ATOM 538 NE ARG A 32 -8.938 -1.183 -3.147 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.990 -0.397 -3.675 1.00 0.00 C ATOM 540 NH1 ARG A 32 -6.718 -0.518 -3.271 1.00 0.00 N ATOM 541 NH2 ARG A 32 -8.313 0.509 -4.608 1.00 0.00 N ATOM 0 H ARG A 32 -11.322 -3.337 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.725 -2.527 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.779 -1.273 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.136 -0.213 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.076 -0.663 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.220 -2.249 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.723 -2.696 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.446 -2.988 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.896 -1.065 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.472 -1.208 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.996 0.080 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.281 0.601 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.591 1.107 -5.010 1.00 0.00 H new ATOM 555 N ASN A 33 -12.820 -1.408 1.218 1.00 0.00 N ATOM 556 CA ASN A 33 -13.881 -0.760 1.969 1.00 0.00 C ATOM 557 C ASN A 33 -14.201 -1.591 3.213 1.00 0.00 C ATOM 558 O ASN A 33 -14.674 -1.057 4.215 1.00 0.00 O ATOM 559 CB ASN A 33 -15.158 -0.649 1.133 1.00 0.00 C ATOM 560 CG ASN A 33 -15.477 -1.975 0.440 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.511 -3.031 1.049 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.708 -1.861 -0.865 1.00 0.00 N ATOM 0 H ASN A 33 -13.104 -1.776 0.310 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.540 0.239 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.992 -0.359 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.041 0.137 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.930 -2.689 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.663 -0.946 -1.313 1.00 0.00 H new ATOM 569 N ASP A 34 -13.930 -2.883 3.108 1.00 0.00 N ATOM 570 CA ASP A 34 -14.184 -3.793 4.212 1.00 0.00 C ATOM 571 C ASP A 34 -13.146 -3.556 5.311 1.00 0.00 C ATOM 572 O ASP A 34 -13.501 -3.329 6.466 1.00 0.00 O ATOM 573 CB ASP A 34 -14.070 -5.251 3.761 1.00 0.00 C ATOM 574 CG ASP A 34 -15.402 -5.939 3.455 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.257 -5.952 4.367 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.535 -6.437 2.316 1.00 0.00 O ATOM 0 H ASP A 34 -13.537 -3.322 2.275 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.194 -3.606 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.444 -5.292 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.556 -5.817 4.538 1.00 0.00 H new ATOM 581 N VAL A 35 -11.884 -3.616 4.912 1.00 0.00 N ATOM 582 CA VAL A 35 -10.792 -3.410 5.849 1.00 0.00 C ATOM 583 C VAL A 35 -10.871 -1.990 6.412 1.00 0.00 C ATOM 584 O VAL A 35 -10.639 -1.776 7.601 1.00 0.00 O ATOM 585 CB VAL A 35 -9.455 -3.711 5.168 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.282 -3.260 6.042 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.340 -5.195 4.818 1.00 0.00 C ATOM 0 H VAL A 35 -11.593 -3.804 3.953 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.875 -4.098 6.690 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.417 -3.144 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.343 -3.485 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.351 -2.187 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.315 -3.787 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.381 -5.382 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.410 -5.790 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.147 -5.473 4.140 1.00 0.00 H new ATOM 597 N ARG A 36 -11.198 -1.055 5.532 1.00 0.00 N ATOM 598 CA ARG A 36 -11.310 0.338 5.927 1.00 0.00 C ATOM 599 C ARG A 36 -12.351 0.494 7.038 1.00 0.00 C ATOM 600 O ARG A 36 -12.061 1.062 8.090 1.00 0.00 O ATOM 601 CB ARG A 36 -11.707 1.217 4.739 1.00 0.00 C ATOM 602 CG ARG A 36 -10.499 1.986 4.198 1.00 0.00 C ATOM 603 CD ARG A 36 -10.943 3.162 3.326 1.00 0.00 C ATOM 604 NE ARG A 36 -10.140 3.203 2.084 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.393 2.457 1.001 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.429 1.608 0.999 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.610 2.561 -0.082 1.00 0.00 N ATOM 0 H ARG A 36 -11.389 -1.235 4.546 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.334 0.658 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.132 0.597 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.483 1.919 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.895 2.352 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.867 1.315 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.001 3.065 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.827 4.097 3.875 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.344 3.839 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.026 1.529 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.621 1.040 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.822 3.208 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.803 1.993 -0.907 1.00 0.00 H new ATOM 621 N ASN A 37 -13.541 -0.021 6.765 1.00 0.00 N ATOM 622 CA ASN A 37 -14.626 0.053 7.729 1.00 0.00 C ATOM 623 C ASN A 37 -14.161 -0.536 9.062 1.00 0.00 C ATOM 624 O ASN A 37 -14.660 -0.156 10.120 1.00 0.00 O ATOM 625 CB ASN A 37 -15.839 -0.750 7.255 1.00 0.00 C ATOM 626 CG ASN A 37 -16.930 0.174 6.710 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.323 1.147 7.333 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.396 -0.183 5.517 1.00 0.00 N ATOM 0 H ASN A 37 -13.778 -0.491 5.891 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.907 1.100 7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.534 -1.454 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.236 -1.338 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.127 0.370 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.023 -1.009 5.050 1.00 0.00 H new ATOM 635 N LYS A 38 -13.210 -1.453 8.967 1.00 0.00 N ATOM 636 CA LYS A 38 -12.671 -2.098 10.152 1.00 0.00 C ATOM 637 C LYS A 38 -11.772 -1.112 10.901 1.00 0.00 C ATOM 638 O LYS A 38 -11.947 -0.893 12.098 1.00 0.00 O ATOM 639 CB LYS A 38 -11.971 -3.406 9.779 1.00 0.00 C ATOM 640 CG LYS A 38 -11.979 -4.387 10.954 1.00 0.00 C ATOM 641 CD LYS A 38 -12.556 -5.741 10.534 1.00 0.00 C ATOM 642 CE LYS A 38 -13.108 -6.500 11.742 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.587 -6.478 11.736 1.00 0.00 N ATOM 0 H LYS A 38 -12.799 -1.765 8.087 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.476 -2.376 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.469 -3.857 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.943 -3.200 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.964 -4.520 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.569 -3.975 11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.349 -5.591 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.782 -6.336 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.754 -7.531 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.735 -6.051 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.945 -6.998 12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.920 -5.493 11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.937 -6.928 10.866 1.00 0.00 H new ATOM 657 N LEU A 39 -10.830 -0.542 10.164 1.00 0.00 N ATOM 658 CA LEU A 39 -9.904 0.416 10.743 1.00 0.00 C ATOM 659 C LEU A 39 -10.687 1.614 11.283 1.00 0.00 C ATOM 660 O LEU A 39 -10.537 1.984 12.446 1.00 0.00 O ATOM 661 CB LEU A 39 -8.822 0.795 9.729 1.00 0.00 C ATOM 662 CG LEU A 39 -7.376 0.597 10.186 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.850 -0.776 9.761 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.482 1.733 9.685 1.00 0.00 C ATOM 0 H LEU A 39 -10.688 -0.725 9.171 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.376 -0.027 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.979 0.209 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.956 1.842 9.458 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.355 0.627 11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.820 -0.891 10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.467 -1.556 10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.888 -0.860 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.459 1.568 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.503 1.759 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.846 2.682 10.078 1.00 0.00 H new ATOM 676 N ALA A 40 -11.507 2.186 10.413 1.00 0.00 N ATOM 677 CA ALA A 40 -12.314 3.334 10.789 1.00 0.00 C ATOM 678 C ALA A 40 -13.022 3.042 12.113 1.00 0.00 C ATOM 679 O ALA A 40 -13.191 3.937 12.941 1.00 0.00 O ATOM 680 CB ALA A 40 -13.297 3.658 9.661 1.00 0.00 C ATOM 0 H ALA A 40 -11.630 1.876 9.449 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.686 4.213 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.903 4.519 9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.743 3.886 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.946 2.800 9.486 1.00 0.00 H new ATOM 686 N ALA A 41 -13.418 1.788 12.273 1.00 0.00 N ATOM 687 CA ALA A 41 -14.104 1.368 13.483 1.00 0.00 C ATOM 688 C ALA A 41 -13.092 1.255 14.624 1.00 0.00 C ATOM 689 O ALA A 41 -13.400 1.590 15.767 1.00 0.00 O ATOM 690 CB ALA A 41 -14.839 0.051 13.222 1.00 0.00 C ATOM 0 H ALA A 41 -13.277 1.049 11.584 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.851 2.105 13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.354 -0.264 14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.566 0.193 12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.121 -0.714 12.928 1.00 0.00 H new ATOM 696 N MET A 42 -11.905 0.780 14.276 1.00 0.00 N ATOM 697 CA MET A 42 -10.846 0.618 15.257 1.00 0.00 C ATOM 698 C MET A 42 -10.333 1.977 15.738 1.00 0.00 C ATOM 699 O MET A 42 -10.184 2.198 16.939 1.00 0.00 O ATOM 700 CB MET A 42 -9.693 -0.174 14.638 1.00 0.00 C ATOM 701 CG MET A 42 -9.998 -1.673 14.631 1.00 0.00 C ATOM 702 SD MET A 42 -8.521 -2.599 15.014 1.00 0.00 S ATOM 703 CE MET A 42 -7.564 -2.277 13.542 1.00 0.00 C ATOM 0 H MET A 42 -11.653 0.502 13.327 1.00 0.00 H new ATOM 0 HA MET A 42 -11.249 0.079 16.114 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.517 0.170 13.619 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.777 0.012 15.199 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.777 -1.897 15.360 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.380 -1.970 13.654 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.666 -2.895 13.549 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.161 -2.513 12.661 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.280 -1.225 13.516 1.00 0.00 H new ATOM 713 N LEU A 43 -10.075 2.851 14.777 1.00 0.00 N ATOM 714 CA LEU A 43 -9.582 4.182 15.087 1.00 0.00 C ATOM 715 C LEU A 43 -10.766 5.139 15.236 1.00 0.00 C ATOM 716 O LEU A 43 -10.579 6.343 15.404 1.00 0.00 O ATOM 717 CB LEU A 43 -8.556 4.630 14.044 1.00 0.00 C ATOM 718 CG LEU A 43 -7.919 3.517 13.209 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.768 4.060 12.360 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.477 2.351 14.095 1.00 0.00 C ATOM 0 H LEU A 43 -10.198 2.663 13.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.053 4.179 16.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.039 5.334 13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.762 5.174 14.555 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.672 3.131 12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.332 3.249 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.144 4.830 11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.006 4.488 13.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.028 1.574 13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.746 2.704 14.823 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.342 1.943 14.618 1.00 0.00 H new ATOM 732 N ASN A 44 -11.960 4.567 15.169 1.00 0.00 N ATOM 733 CA ASN A 44 -13.174 5.355 15.294 1.00 0.00 C ATOM 734 C ASN A 44 -13.021 6.651 14.497 1.00 0.00 C ATOM 735 O ASN A 44 -13.485 7.707 14.925 1.00 0.00 O ATOM 736 CB ASN A 44 -13.442 5.726 16.753 1.00 0.00 C ATOM 737 CG ASN A 44 -12.151 6.145 17.459 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.839 7.317 17.593 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.420 5.125 17.900 1.00 0.00 N ATOM 0 H ASN A 44 -12.112 3.568 15.030 1.00 0.00 H new ATOM 0 HA ASN A 44 -14.003 4.758 14.916 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -14.166 6.540 16.798 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.885 4.876 17.272 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.539 5.300 18.384 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.740 4.168 17.754 1.00 0.00 H new ATOM 746 N ALA A 45 -12.367 6.530 13.350 1.00 0.00 N ATOM 747 CA ALA A 45 -12.147 7.679 12.489 1.00 0.00 C ATOM 748 C ALA A 45 -13.082 7.594 11.282 1.00 0.00 C ATOM 749 O ALA A 45 -13.625 6.530 10.987 1.00 0.00 O ATOM 750 CB ALA A 45 -10.673 7.737 12.082 1.00 0.00 C ATOM 0 H ALA A 45 -11.983 5.653 12.998 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.376 8.604 13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.508 8.599 11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.053 7.827 12.974 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.407 6.826 11.546 1.00 0.00 H new ATOM 756 N PRO A 46 -13.246 8.758 10.598 1.00 0.00 N ATOM 757 CA PRO A 46 -14.106 8.824 9.429 1.00 0.00 C ATOM 758 C PRO A 46 -13.439 8.167 8.219 1.00 0.00 C ATOM 759 O PRO A 46 -12.309 8.504 7.869 1.00 0.00 O ATOM 760 CB PRO A 46 -14.379 10.306 9.225 1.00 0.00 C ATOM 761 CG PRO A 46 -13.294 11.039 9.997 1.00 0.00 C ATOM 762 CD PRO A 46 -12.619 10.037 10.918 1.00 0.00 C ATOM 0 HA PRO A 46 -15.038 8.275 9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.350 10.567 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.369 10.575 9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.568 11.477 9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.723 11.858 10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.543 10.004 10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.767 10.300 11.965 1.00 0.00 H new ATOM 770 N LEU A 47 -14.167 7.241 7.613 1.00 0.00 N ATOM 771 CA LEU A 47 -13.660 6.533 6.449 1.00 0.00 C ATOM 772 C LEU A 47 -13.201 7.548 5.401 1.00 0.00 C ATOM 773 O LEU A 47 -12.106 7.428 4.854 1.00 0.00 O ATOM 774 CB LEU A 47 -14.702 5.540 5.930 1.00 0.00 C ATOM 775 CG LEU A 47 -14.171 4.169 5.508 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.578 3.090 6.513 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.613 3.824 4.085 1.00 0.00 C ATOM 0 H LEU A 47 -15.104 6.964 7.906 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.789 5.934 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.453 5.393 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.209 5.989 5.076 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.082 4.211 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.188 2.125 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.172 3.335 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.665 3.040 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.222 2.844 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.702 3.807 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.231 4.575 3.393 1.00 0.00 H new ATOM 789 N GLU A 48 -14.062 8.524 5.151 1.00 0.00 N ATOM 790 CA GLU A 48 -13.759 9.559 4.178 1.00 0.00 C ATOM 791 C GLU A 48 -12.339 10.088 4.390 1.00 0.00 C ATOM 792 O GLU A 48 -11.590 10.269 3.431 1.00 0.00 O ATOM 793 CB GLU A 48 -14.782 10.694 4.247 1.00 0.00 C ATOM 794 CG GLU A 48 -14.881 11.258 5.666 1.00 0.00 C ATOM 795 CD GLU A 48 -15.869 12.424 5.725 1.00 0.00 C ATOM 796 OE1 GLU A 48 -15.558 13.464 5.104 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.913 12.250 6.390 1.00 0.00 O ATOM 0 H GLU A 48 -14.970 8.619 5.606 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.818 9.121 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.497 11.487 3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.758 10.328 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.199 10.473 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.898 11.593 5.998 1.00 0.00 H new ATOM 804 N LEU A 49 -12.011 10.320 5.653 1.00 0.00 N ATOM 805 CA LEU A 49 -10.694 10.825 6.003 1.00 0.00 C ATOM 806 C LEU A 49 -9.677 9.685 5.916 1.00 0.00 C ATOM 807 O LEU A 49 -8.488 9.924 5.707 1.00 0.00 O ATOM 808 CB LEU A 49 -10.730 11.514 7.369 1.00 0.00 C ATOM 809 CG LEU A 49 -11.652 12.729 7.483 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.400 13.488 8.787 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.519 13.635 6.257 1.00 0.00 C ATOM 0 H LEU A 49 -12.634 10.168 6.446 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.378 11.590 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.034 10.781 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.717 11.826 7.623 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.682 12.375 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.068 14.347 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.586 12.828 9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.366 13.831 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.185 14.491 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.490 13.984 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.787 13.076 5.361 1.00 0.00 H new ATOM 823 N LEU A 50 -10.180 8.471 6.080 1.00 0.00 N ATOM 824 CA LEU A 50 -9.330 7.294 6.023 1.00 0.00 C ATOM 825 C LEU A 50 -9.115 6.897 4.561 1.00 0.00 C ATOM 826 O LEU A 50 -10.055 6.902 3.768 1.00 0.00 O ATOM 827 CB LEU A 50 -9.909 6.172 6.886 1.00 0.00 C ATOM 828 CG LEU A 50 -8.894 5.328 7.660 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.871 5.718 9.139 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.159 3.834 7.465 1.00 0.00 C ATOM 0 H LEU A 50 -11.166 8.277 6.253 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.348 7.512 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.605 6.612 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.488 5.509 6.244 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.902 5.533 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.141 5.103 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.596 6.769 9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.859 5.561 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.423 3.258 8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.159 3.592 7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.083 3.586 6.406 1.00 0.00 H new ATOM 842 N VAL A 51 -7.872 6.562 4.249 1.00 0.00 N ATOM 843 CA VAL A 51 -7.521 6.162 2.897 1.00 0.00 C ATOM 844 C VAL A 51 -6.550 4.982 2.954 1.00 0.00 C ATOM 845 O VAL A 51 -5.889 4.765 3.968 1.00 0.00 O ATOM 846 CB VAL A 51 -6.962 7.360 2.126 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.138 7.171 0.617 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.609 8.664 2.595 1.00 0.00 C ATOM 0 H VAL A 51 -7.095 6.559 4.910 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.406 5.828 2.356 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.894 7.423 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.733 8.036 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.609 6.273 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.198 7.069 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.194 9.499 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.686 8.615 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.409 8.808 3.657 1.00 0.00 H new ATOM 858 N ILE A 52 -6.493 4.249 1.851 1.00 0.00 N ATOM 859 CA ILE A 52 -5.614 3.096 1.763 1.00 0.00 C ATOM 860 C ILE A 52 -4.617 3.306 0.621 1.00 0.00 C ATOM 861 O ILE A 52 -5.015 3.557 -0.516 1.00 0.00 O ATOM 862 CB ILE A 52 -6.430 1.808 1.638 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.540 1.758 2.689 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.524 0.576 1.702 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.015 1.204 4.015 1.00 0.00 C ATOM 0 H ILE A 52 -7.042 4.432 1.011 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.033 2.990 2.679 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.912 1.803 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.945 2.758 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.359 1.135 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.129 -0.326 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.802 0.613 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.995 0.563 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.824 1.179 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.633 0.195 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.213 1.843 4.384 1.00 0.00 H new ATOM 877 N GLN A 53 -3.342 3.196 0.963 1.00 0.00 N ATOM 878 CA GLN A 53 -2.286 3.371 -0.019 1.00 0.00 C ATOM 879 C GLN A 53 -2.332 2.245 -1.054 1.00 0.00 C ATOM 880 O GLN A 53 -2.461 2.501 -2.250 1.00 0.00 O ATOM 881 CB GLN A 53 -0.915 3.439 0.656 1.00 0.00 C ATOM 882 CG GLN A 53 0.195 3.647 -0.376 1.00 0.00 C ATOM 883 CD GLN A 53 1.450 4.228 0.278 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.665 5.429 0.311 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.265 3.312 0.795 1.00 0.00 N ATOM 0 H GLN A 53 -3.016 2.988 1.907 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.448 4.318 -0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.902 4.255 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.733 2.519 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.436 2.697 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.154 4.318 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.025 2.323 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.130 3.599 1.253 1.00 0.00 H new ATOM 894 N ARG A 54 -2.224 1.022 -0.556 1.00 0.00 N ATOM 895 CA ARG A 54 -2.251 -0.144 -1.423 1.00 0.00 C ATOM 896 C ARG A 54 -2.036 -1.419 -0.605 1.00 0.00 C ATOM 897 O ARG A 54 -1.067 -1.523 0.146 1.00 0.00 O ATOM 898 CB ARG A 54 -1.173 -0.052 -2.505 1.00 0.00 C ATOM 899 CG ARG A 54 -1.764 -0.310 -3.892 1.00 0.00 C ATOM 900 CD ARG A 54 -1.464 0.852 -4.841 1.00 0.00 C ATOM 901 NE ARG A 54 -1.298 0.348 -6.222 1.00 0.00 N ATOM 902 CZ ARG A 54 -1.412 1.109 -7.319 1.00 0.00 C ATOM 903 NH1 ARG A 54 -1.694 2.414 -7.202 1.00 0.00 N ATOM 904 NH2 ARG A 54 -1.245 0.566 -8.532 1.00 0.00 N ATOM 0 H ARG A 54 -2.118 0.813 0.437 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.229 -0.177 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.712 0.935 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.385 -0.777 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.353 -1.233 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.842 -0.449 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.275 1.580 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.558 1.368 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.083 -0.641 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.822 2.827 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.781 2.994 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.031 -0.427 -8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.332 1.146 -9.367 1.00 0.00 H new ATOM 918 N ILE A 55 -2.955 -2.357 -0.778 1.00 0.00 N ATOM 919 CA ILE A 55 -2.878 -3.621 -0.065 1.00 0.00 C ATOM 920 C ILE A 55 -2.041 -4.610 -0.878 1.00 0.00 C ATOM 921 O ILE A 55 -2.200 -4.711 -2.094 1.00 0.00 O ATOM 922 CB ILE A 55 -4.280 -4.133 0.272 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.940 -3.259 1.341 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.242 -5.607 0.679 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.286 -3.846 1.773 1.00 0.00 C ATOM 0 H ILE A 55 -3.757 -2.267 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.374 -3.488 0.892 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.895 -4.063 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.281 -3.175 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.086 -2.251 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.251 -5.946 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.841 -6.201 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.606 -5.726 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.735 -3.207 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.950 -3.906 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.133 -4.844 2.183 1.00 0.00 H new ATOM 937 N LYS A 56 -1.167 -5.316 -0.175 1.00 0.00 N ATOM 938 CA LYS A 56 -0.305 -6.294 -0.817 1.00 0.00 C ATOM 939 C LYS A 56 -0.665 -7.693 -0.313 1.00 0.00 C ATOM 940 O LYS A 56 -0.466 -8.004 0.860 1.00 0.00 O ATOM 941 CB LYS A 56 1.166 -5.926 -0.613 1.00 0.00 C ATOM 942 CG LYS A 56 2.084 -6.938 -1.302 1.00 0.00 C ATOM 943 CD LYS A 56 2.275 -6.587 -2.779 1.00 0.00 C ATOM 944 CE LYS A 56 3.724 -6.187 -3.065 1.00 0.00 C ATOM 945 NZ LYS A 56 3.907 -4.731 -2.873 1.00 0.00 N ATOM 0 H LYS A 56 -1.037 -5.230 0.833 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.464 -6.293 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.354 -4.929 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.392 -5.891 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.052 -6.957 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.660 -7.938 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.001 -7.441 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.608 -5.769 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.396 -6.734 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.988 -6.461 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.896 -4.476 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.280 -4.214 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.674 -4.478 -1.891 1.00 0.00 H new ATOM 959 N THR A 57 -1.188 -8.499 -1.225 1.00 0.00 N ATOM 960 CA THR A 57 -1.578 -9.857 -0.888 1.00 0.00 C ATOM 961 C THR A 57 -0.527 -10.852 -1.385 1.00 0.00 C ATOM 962 O THR A 57 -0.068 -10.759 -2.523 1.00 0.00 O ATOM 963 CB THR A 57 -2.972 -10.107 -1.466 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.707 -8.937 -1.117 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.710 -11.238 -0.748 1.00 0.00 C ATOM 0 H THR A 57 -1.351 -8.237 -2.197 1.00 0.00 H new ATOM 0 HA THR A 57 -1.629 -9.997 0.192 1.00 0.00 H new ATOM 0 HB THR A 57 -2.888 -10.345 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.007 -9.005 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.694 -11.374 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.138 -12.162 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.825 -10.986 0.306 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.510 -13.802 4.151 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.506 -12.528 4.848 1.00 0.00 C ATOM 1052 C GLU A 63 -2.233 -11.386 3.867 1.00 0.00 C ATOM 1053 O GLU A 63 -1.494 -11.559 2.899 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.485 -12.528 5.987 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.118 -11.100 6.395 1.00 0.00 C ATOM 1056 CD GLU A 63 0.025 -10.560 5.534 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.118 -11.163 5.598 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.220 -9.556 4.830 1.00 0.00 O ATOM 0 HA GLU A 63 -3.491 -12.375 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.893 -13.062 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.588 -13.063 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.990 -10.454 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.827 -11.082 7.445 1.00 0.00 H new ATOM 1065 N SER A 64 -2.844 -10.245 4.150 1.00 0.00 N ATOM 1066 CA SER A 64 -2.675 -9.076 3.304 1.00 0.00 C ATOM 1067 C SER A 64 -2.305 -7.861 4.158 1.00 0.00 C ATOM 1068 O SER A 64 -2.869 -7.657 5.232 1.00 0.00 O ATOM 1069 CB SER A 64 -3.944 -8.791 2.499 1.00 0.00 C ATOM 1070 OG SER A 64 -4.204 -9.808 1.535 1.00 0.00 O ATOM 0 H SER A 64 -3.457 -10.105 4.953 1.00 0.00 H new ATOM 0 HA SER A 64 -1.868 -9.277 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.793 -8.709 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.845 -7.830 1.994 1.00 0.00 H new ATOM 0 HG SER A 64 -4.756 -10.509 1.940 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.358 -7.087 3.649 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.905 -5.898 4.352 1.00 0.00 C ATOM 1078 C LYS A 65 -1.058 -4.681 3.437 1.00 0.00 C ATOM 1079 O LYS A 65 -0.850 -4.779 2.228 1.00 0.00 O ATOM 1080 CB LYS A 65 0.517 -6.097 4.879 1.00 0.00 C ATOM 1081 CG LYS A 65 1.536 -5.378 3.992 1.00 0.00 C ATOM 1082 CD LYS A 65 2.955 -5.549 4.537 1.00 0.00 C ATOM 1083 CE LYS A 65 3.429 -6.996 4.386 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.588 -7.343 2.956 1.00 0.00 N ATOM 0 H LYS A 65 -0.892 -7.260 2.758 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.523 -5.716 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.587 -5.719 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.749 -7.161 4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.482 -5.772 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.290 -4.318 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.635 -4.882 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.982 -5.261 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.377 -7.130 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.711 -7.671 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.184 -8.191 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.654 -7.532 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.037 -6.551 2.454 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.421 -3.563 4.048 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.604 -2.329 3.304 1.00 0.00 C ATOM 1100 C GLY A 66 -1.540 -1.114 4.232 1.00 0.00 C ATOM 1101 O GLY A 66 -2.048 -1.157 5.352 1.00 0.00 O ATOM 0 H GLY A 66 -1.593 -3.486 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.835 -2.246 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.565 -2.349 2.791 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.912 -0.060 3.733 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.775 1.164 4.504 1.00 0.00 C ATOM 1107 C TYR A 67 -1.996 2.068 4.318 1.00 0.00 C ATOM 1108 O TYR A 67 -2.421 2.320 3.192 1.00 0.00 O ATOM 1109 CB TYR A 67 0.460 1.876 3.949 1.00 0.00 C ATOM 1110 CG TYR A 67 1.509 2.220 5.009 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.148 2.945 6.126 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.815 1.805 4.847 1.00 0.00 C ATOM 1113 CE1 TYR A 67 2.135 3.268 7.124 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.802 2.128 5.845 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.413 2.844 6.934 1.00 0.00 C ATOM 1116 OH TYR A 67 4.345 3.150 7.876 1.00 0.00 O ATOM 0 H TYR A 67 -0.492 -0.028 2.804 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.686 0.940 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.920 1.244 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.145 2.794 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.126 3.270 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.097 1.238 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.866 3.834 8.003 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.828 1.809 5.731 1.00 0.00 H new ATOM 0 HH TYR A 67 4.610 2.335 8.351 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.525 2.531 5.441 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.689 3.401 5.417 1.00 0.00 C ATOM 1128 C ALA A 68 -3.267 4.820 5.804 1.00 0.00 C ATOM 1129 O ALA A 68 -2.274 5.007 6.505 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.766 2.839 6.346 1.00 0.00 C ATOM 0 H ALA A 68 -2.169 2.320 6.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.115 3.445 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.639 3.492 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.051 1.842 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.376 2.782 7.362 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.042 5.784 5.329 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.762 7.180 5.617 1.00 0.00 C ATOM 1138 C LYS A 69 -4.960 7.798 6.340 1.00 0.00 C ATOM 1139 O LYS A 69 -6.039 7.924 5.765 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.366 7.921 4.338 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.923 7.602 3.943 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.774 7.533 2.422 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.744 6.514 1.821 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.782 7.198 1.018 1.00 0.00 N ATOM 0 H LYS A 69 -4.864 5.625 4.746 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.906 7.267 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.039 7.640 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.477 8.995 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.255 8.365 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.623 6.652 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.960 8.516 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.750 7.261 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.198 5.808 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.214 5.936 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.609 6.575 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.067 8.077 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.401 7.423 0.077 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.728 8.167 7.592 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.775 8.769 8.400 1.00 0.00 C ATOM 1160 C LEU A 70 -5.577 10.285 8.436 1.00 0.00 C ATOM 1161 O LEU A 70 -4.511 10.767 8.815 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.821 8.122 9.786 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.627 8.870 10.849 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.033 9.197 10.342 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.659 8.088 12.164 1.00 0.00 C ATOM 0 H LEU A 70 -3.831 8.061 8.066 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.753 8.585 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.235 7.119 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.799 8.009 10.146 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.129 9.818 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.585 9.729 11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.963 9.823 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.555 8.273 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.238 8.642 12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.120 7.114 11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.642 7.950 12.530 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.622 10.996 8.037 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.577 12.448 8.018 1.00 0.00 C ATOM 1179 C TYR A 71 -7.536 13.040 9.053 1.00 0.00 C ATOM 1180 O TYR A 71 -8.454 12.362 9.513 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.033 12.867 6.619 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.971 12.673 5.535 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.815 11.441 4.934 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.169 13.732 5.158 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.815 11.259 3.913 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.170 13.550 4.137 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.042 12.323 3.565 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.098 12.151 2.601 1.00 0.00 O ATOM 0 H TYR A 71 -7.505 10.593 7.724 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.574 12.803 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.921 12.294 6.350 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.326 13.917 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.443 10.613 5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.291 14.696 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.682 10.300 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.536 14.370 3.832 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.622 12.995 2.455 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.291 14.298 9.389 1.00 0.00 N ATOM 1199 CA GLU A 72 -8.122 14.989 10.360 1.00 0.00 C ATOM 1200 C GLU A 72 -9.269 15.716 9.656 1.00 0.00 C ATOM 1201 O GLU A 72 -10.366 15.826 10.201 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.291 15.959 11.201 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.246 15.211 12.030 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.518 16.161 12.983 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -5.238 17.298 12.546 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.258 15.729 14.127 1.00 0.00 O ATOM 0 H GLU A 72 -6.529 14.857 9.006 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.549 14.248 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.796 16.679 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.946 16.526 11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.729 14.418 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.525 14.733 11.367 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.976 16.195 8.456 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.968 16.909 7.671 1.00 0.00 C ATOM 1215 C ASP A 73 -9.903 16.433 6.219 1.00 0.00 C ATOM 1216 O ASP A 73 -8.874 15.929 5.772 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.703 18.416 7.688 1.00 0.00 C ATOM 1218 CG ASP A 73 -9.583 19.036 9.081 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -9.773 18.279 10.058 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.303 20.253 9.138 1.00 0.00 O ATOM 0 H ASP A 73 -8.064 16.102 8.008 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.948 16.710 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.783 18.614 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.509 18.917 7.152 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.016 16.609 5.521 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.098 16.204 4.129 1.00 0.00 C ATOM 1227 C ALA A 74 -10.489 17.296 3.247 1.00 0.00 C ATOM 1228 O ALA A 74 -9.792 17.000 2.278 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.556 15.910 3.768 1.00 0.00 C ATOM 0 H ALA A 74 -11.868 17.027 5.894 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.529 15.290 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.618 15.606 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.933 15.108 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.157 16.807 3.921 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.774 18.537 3.615 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.263 19.675 2.870 1.00 0.00 C ATOM 1237 C ASP A 75 -8.754 19.514 2.674 1.00 0.00 C ATOM 1238 O ASP A 75 -8.250 19.657 1.561 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.504 20.982 3.628 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.861 22.182 2.748 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -12.034 22.242 2.320 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -9.954 23.012 2.524 1.00 0.00 O ATOM 0 H ASP A 75 -11.352 18.779 4.420 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.782 19.712 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.308 20.825 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.608 21.223 4.200 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.074 19.218 3.773 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.633 19.036 3.735 1.00 0.00 C ATOM 1249 C ARG A 76 -6.263 17.936 2.738 1.00 0.00 C ATOM 1250 O ARG A 76 -5.402 18.134 1.882 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.089 18.667 5.116 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.115 19.732 5.624 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.923 19.882 4.677 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.849 20.659 5.334 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.560 20.617 4.970 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.177 19.833 3.952 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.654 21.356 5.624 1.00 0.00 N ATOM 0 H ARG A 76 -8.495 19.100 4.695 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.187 19.980 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.915 18.559 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.585 17.702 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.632 20.687 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.762 19.462 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.549 18.899 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.237 20.382 3.761 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.106 21.265 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.867 19.269 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.196 19.801 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.945 21.951 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.327 21.324 5.346 1.00 0.00 H new ATOM 1271 N MET A 77 -6.931 16.801 2.882 1.00 0.00 N ATOM 1272 CA MET A 77 -6.683 15.670 2.004 1.00 0.00 C ATOM 1273 C MET A 77 -6.750 16.091 0.535 1.00 0.00 C ATOM 1274 O MET A 77 -5.964 15.620 -0.286 1.00 0.00 O ATOM 1275 CB MET A 77 -7.723 14.580 2.271 1.00 0.00 C ATOM 1276 CG MET A 77 -7.726 13.539 1.149 1.00 0.00 C ATOM 1277 SD MET A 77 -8.284 11.965 1.778 1.00 0.00 S ATOM 1278 CE MET A 77 -10.040 12.272 1.869 1.00 0.00 C ATOM 0 H MET A 77 -7.644 16.640 3.594 1.00 0.00 H new ATOM 0 HA MET A 77 -5.682 15.288 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.509 14.094 3.223 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.712 15.029 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.377 13.868 0.339 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.724 13.439 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.330 12.422 2.909 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.284 13.164 1.292 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.580 11.418 1.461 1.00 0.00 H new