USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 997 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 77 LYS NZ :NH3+ 139:sc= 0.777 (180deg=0) USER MOD Set 1.2: A 84 GLN : amide:sc= -3.71! C(o=-7.2!,f=-9.7!) USER MOD Set 1.3: A 86 TYR OH : rot 177:sc= -4.24! USER MOD Set 2.1: A 36 GLN : amide:sc= -10.8! C(o=-12!,f=-13!) USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 1 SER N :NH3+ 141:sc= -1 (180deg=-1.53) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 2 GLN : amide:sc= -0.376! C(o=-0.38!,f=-9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.74! C(o=-4!,f=-1.7!) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.165 F(o=-0.77,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ -113:sc= -0.77 (180deg=-3.88!) USER MOD Single : A 15 LYS NZ :NH3+ -121:sc=-0.00881 (180deg=-0.129) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.0775 F(o=-1.6,f=-0.077) USER MOD Single : A 24 SER OG : rot 180:sc= 0.15 USER MOD Single : A 30 HIS : no HD1:sc= -2.02! C(o=-2!,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -150:sc= -1.47 (180deg=-2.33!) USER MOD Single : A 44 ASN : amide:sc= -5.79! C(o=-5.8!,f=-14!) USER MOD Single : A 45 GLN : amide:sc= -0.177 X(o=-0.18,f=0.057) USER MOD Single : A 46 ASN : amide:sc= -0.0929 K(o=-0.093,f=-0.73) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.99! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00324 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -42:sc= 0.938 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.2 F(o=-2.5,f=-1.2) USER MOD Single : A 74 HIS : no HD1:sc= -5.75! C(o=-5.7!,f=-8.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= -3.61! USER MOD Single : A 76 MET CE :methyl -167:sc= -0.925 (180deg=-1.67) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0821 F(o=-1.1,f=-0.082) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0601) USER MOD Single : A 90 TYR OH : rot 87:sc= -0.352 USER MOD Single : A 93 ASN : amide:sc= 0.0578 K(o=0.058,f=-5.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0.729 (180deg=0.197!) USER MOD Single : A 101 SER OG : rot 50:sc= 0.00136 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.841 F(o=-2.6,f=-0.84) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= 0.654 (180deg=0.652) USER MOD Single : A 111 MET CE :methyl -126:sc= -7.21! (180deg=-10.1!) USER MOD Single : A 123 THR OG1 : rot 48:sc= 1.37 USER MOD Single : A 124 HIS : no HE2:sc= -8! C(o=-8!,f=-9.1!) USER MOD Single : A 126 LYS NZ :NH3+ 137:sc= 0.557 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.996 13.795 6.614 1.00 0.00 N ATOM 2 CA SER A 1 -1.132 13.369 7.756 1.00 0.00 C ATOM 3 C SER A 1 -1.268 11.862 7.985 1.00 0.00 C ATOM 4 O SER A 1 -1.436 11.097 7.057 1.00 0.00 O ATOM 5 CB SER A 1 -1.651 14.146 8.967 1.00 0.00 C ATOM 6 OG SER A 1 -1.667 15.535 8.661 1.00 0.00 O ATOM 0 H1 SER A 1 -2.430 14.715 6.831 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.418 13.879 5.754 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.743 13.088 6.461 1.00 0.00 H new ATOM 0 HA SER A 1 -0.077 13.570 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.654 13.808 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.016 13.960 9.833 1.00 0.00 H new ATOM 0 HG SER A 1 -2.001 16.036 9.434 1.00 0.00 H new ATOM 14 N GLN A 2 -1.195 11.429 9.213 1.00 0.00 N ATOM 15 CA GLN A 2 -1.319 9.973 9.495 1.00 0.00 C ATOM 16 C GLN A 2 -2.771 9.510 9.343 1.00 0.00 C ATOM 17 O GLN A 2 -3.672 10.316 9.247 1.00 0.00 O ATOM 18 CB GLN A 2 -0.865 9.811 10.909 1.00 0.00 C ATOM 19 CG GLN A 2 0.244 8.837 10.931 1.00 0.00 C ATOM 20 CD GLN A 2 -0.296 7.413 11.106 1.00 0.00 C ATOM 21 OE1 GLN A 2 -1.119 6.969 10.330 1.00 0.00 O ATOM 22 NE2 GLN A 2 0.128 6.668 12.098 1.00 0.00 N ATOM 0 H GLN A 2 -1.055 12.020 10.032 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.728 9.375 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.538 10.768 11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.687 9.464 11.535 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.814 8.905 10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.929 9.075 11.745 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.819 7.035 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.233 5.721 12.215 1.00 0.00 H new ATOM 31 N VAL A 3 -3.012 8.224 9.325 1.00 0.00 N ATOM 32 CA VAL A 3 -4.386 7.731 9.185 1.00 0.00 C ATOM 33 C VAL A 3 -4.488 6.405 9.942 1.00 0.00 C ATOM 34 O VAL A 3 -3.490 5.877 10.392 1.00 0.00 O ATOM 35 CB VAL A 3 -4.554 7.472 7.685 1.00 0.00 C ATOM 36 CG1 VAL A 3 -3.826 8.549 6.870 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.036 6.069 7.299 1.00 0.00 C ATOM 0 H VAL A 3 -2.299 7.499 9.403 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.137 8.421 9.569 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.619 7.515 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.956 8.350 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.241 9.528 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.764 8.535 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.169 5.914 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.978 5.990 7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.596 5.311 7.847 1.00 0.00 H new ATOM 47 N ASP A 4 -5.645 5.826 10.048 1.00 0.00 N ATOM 48 CA ASP A 4 -5.707 4.521 10.722 1.00 0.00 C ATOM 49 C ASP A 4 -5.281 3.477 9.760 1.00 0.00 C ATOM 50 O ASP A 4 -5.454 3.583 8.561 1.00 0.00 O ATOM 51 CB ASP A 4 -7.125 4.350 11.310 1.00 0.00 C ATOM 52 CG ASP A 4 -7.749 3.027 10.846 1.00 0.00 C ATOM 53 OD1 ASP A 4 -8.001 2.897 9.660 1.00 0.00 O ATOM 54 OD2 ASP A 4 -7.963 2.170 11.688 1.00 0.00 O ATOM 0 H ASP A 4 -6.531 6.195 9.703 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.023 4.437 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.078 4.373 12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.755 5.184 11.000 1.00 0.00 H new ATOM 59 N VAL A 5 -4.536 2.558 10.276 1.00 0.00 N ATOM 60 CA VAL A 5 -3.887 1.618 9.387 1.00 0.00 C ATOM 61 C VAL A 5 -3.337 0.421 10.181 1.00 0.00 C ATOM 62 O VAL A 5 -3.549 0.319 11.373 1.00 0.00 O ATOM 63 CB VAL A 5 -2.833 2.580 8.897 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.466 2.267 9.512 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.758 2.528 7.370 1.00 0.00 C ATOM 0 H VAL A 5 -4.357 2.428 11.272 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.473 1.127 8.610 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.112 3.586 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.728 2.977 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.529 2.345 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.167 1.255 9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.996 3.224 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.500 1.518 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.724 2.805 6.949 1.00 0.00 H new ATOM 75 N LYS A 6 -2.636 -0.485 9.550 1.00 0.00 N ATOM 76 CA LYS A 6 -2.103 -1.659 10.318 1.00 0.00 C ATOM 77 C LYS A 6 -0.872 -2.244 9.694 1.00 0.00 C ATOM 78 O LYS A 6 -0.743 -2.414 8.510 1.00 0.00 O ATOM 79 CB LYS A 6 -3.201 -2.716 10.339 1.00 0.00 C ATOM 80 CG LYS A 6 -4.585 -2.084 10.145 1.00 0.00 C ATOM 81 CD LYS A 6 -5.666 -3.157 10.287 1.00 0.00 C ATOM 82 CE LYS A 6 -6.768 -2.647 11.218 1.00 0.00 C ATOM 83 NZ LYS A 6 -7.860 -3.653 11.109 1.00 0.00 N ATOM 0 H LYS A 6 -2.410 -0.469 8.555 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.825 -1.329 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.019 -3.448 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.174 -3.253 11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.742 -1.296 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.648 -1.618 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.084 -3.400 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.233 -4.075 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.410 -2.562 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.112 -1.657 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.653 -3.372 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.185 -3.707 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.506 -4.584 11.408 1.00 0.00 H new ATOM 97 N ASP A 7 0.016 -2.570 10.541 1.00 0.00 N ATOM 98 CA ASP A 7 1.291 -3.195 10.127 1.00 0.00 C ATOM 99 C ASP A 7 1.101 -4.711 9.979 1.00 0.00 C ATOM 100 O ASP A 7 0.304 -5.309 10.676 1.00 0.00 O ATOM 101 CB ASP A 7 2.171 -2.866 11.303 1.00 0.00 C ATOM 102 CG ASP A 7 3.421 -3.749 11.296 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.376 -3.385 10.630 1.00 0.00 O ATOM 104 OD2 ASP A 7 3.400 -4.774 11.958 1.00 0.00 O ATOM 0 H ASP A 7 -0.078 -2.430 11.547 1.00 0.00 H new ATOM 0 HA ASP A 7 1.688 -2.852 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.460 -1.816 11.267 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.619 -3.013 12.231 1.00 0.00 H new ATOM 109 N CYS A 8 1.820 -5.339 9.090 1.00 0.00 N ATOM 110 CA CYS A 8 1.670 -6.812 8.918 1.00 0.00 C ATOM 111 C CYS A 8 3.044 -7.447 8.763 1.00 0.00 C ATOM 112 O CYS A 8 3.172 -8.575 8.329 1.00 0.00 O ATOM 113 CB CYS A 8 0.849 -6.999 7.647 1.00 0.00 C ATOM 114 SG CYS A 8 1.480 -5.960 6.288 1.00 0.00 S ATOM 0 H CYS A 8 2.504 -4.897 8.476 1.00 0.00 H new ATOM 0 HA CYS A 8 1.184 -7.280 9.774 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.873 -8.047 7.347 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.193 -6.748 7.845 1.00 0.00 H new ATOM 119 N ALA A 9 4.087 -6.709 9.062 1.00 0.00 N ATOM 120 CA ALA A 9 5.452 -7.284 8.859 1.00 0.00 C ATOM 121 C ALA A 9 6.250 -7.180 10.132 1.00 0.00 C ATOM 122 O ALA A 9 6.274 -8.086 10.942 1.00 0.00 O ATOM 123 CB ALA A 9 6.071 -6.452 7.718 1.00 0.00 C ATOM 0 H ALA A 9 4.055 -5.758 9.428 1.00 0.00 H new ATOM 0 HA ALA A 9 5.432 -8.343 8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.078 -6.814 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.457 -6.549 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.117 -5.404 8.015 1.00 0.00 H new ATOM 129 N ASN A 10 6.865 -6.094 10.339 1.00 0.00 N ATOM 130 CA ASN A 10 7.626 -5.938 11.607 1.00 0.00 C ATOM 131 C ASN A 10 7.895 -4.474 11.933 1.00 0.00 C ATOM 132 O ASN A 10 9.017 -4.010 11.936 1.00 0.00 O ATOM 133 CB ASN A 10 8.890 -6.771 11.479 1.00 0.00 C ATOM 134 CG ASN A 10 9.975 -6.289 12.458 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.932 -5.470 12.067 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 9.954 -6.666 13.613 1.00 0.00 N flip ATOM 0 H ASN A 10 6.889 -5.296 9.704 1.00 0.00 H new ATOM 0 HA ASN A 10 7.043 -6.299 12.455 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.660 -7.818 11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.266 -6.712 10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.220 -7.299 13.929 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.671 -6.349 14.266 1.00 0.00 H new ATOM 143 N HIS A 11 6.843 -3.755 12.226 1.00 0.00 N ATOM 144 CA HIS A 11 6.967 -2.312 12.580 1.00 0.00 C ATOM 145 C HIS A 11 8.097 -1.667 11.791 1.00 0.00 C ATOM 146 O HIS A 11 8.760 -0.757 12.250 1.00 0.00 O ATOM 147 CB HIS A 11 7.258 -2.282 14.070 1.00 0.00 C ATOM 148 CG HIS A 11 6.434 -3.323 14.784 1.00 0.00 C ATOM 149 ND1 HIS A 11 6.622 -4.670 14.974 1.00 0.00 N flip ATOM 150 CD2 HIS A 11 5.237 -3.016 15.413 1.00 0.00 C flip ATOM 151 CE1 HIS A 11 5.561 -5.193 15.708 1.00 0.00 C flip ATOM 152 NE2 HIS A 11 4.755 -4.153 15.946 1.00 0.00 N flip ATOM 0 H HIS A 11 5.888 -4.114 12.235 1.00 0.00 H new ATOM 0 HA HIS A 11 6.062 -1.754 12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.318 -2.465 14.244 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.035 -1.293 14.471 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.775 -2.041 15.465 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.419 -6.218 16.018 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.881 -4.214 16.468 1.00 0.00 H new ATOM 160 N GLU A 12 8.312 -2.139 10.602 1.00 0.00 N ATOM 161 CA GLU A 12 9.394 -1.567 9.757 1.00 0.00 C ATOM 162 C GLU A 12 8.883 -0.365 8.964 1.00 0.00 C ATOM 163 O GLU A 12 9.436 0.006 7.947 1.00 0.00 O ATOM 164 CB GLU A 12 9.834 -2.668 8.856 1.00 0.00 C ATOM 165 CG GLU A 12 11.275 -3.065 9.161 1.00 0.00 C ATOM 166 CD GLU A 12 11.445 -4.568 8.937 1.00 0.00 C ATOM 167 OE1 GLU A 12 10.438 -5.253 8.860 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.579 -5.010 8.849 1.00 0.00 O ATOM 0 H GLU A 12 7.784 -2.900 10.174 1.00 0.00 H new ATOM 0 HA GLU A 12 10.225 -1.201 10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.179 -3.531 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.750 -2.351 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.960 -2.511 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.524 -2.809 10.191 1.00 0.00 H new ATOM 175 N ILE A 13 7.805 0.223 9.410 1.00 0.00 N ATOM 176 CA ILE A 13 7.209 1.375 8.686 1.00 0.00 C ATOM 177 C ILE A 13 7.133 2.606 9.591 1.00 0.00 C ATOM 178 O ILE A 13 7.726 2.664 10.650 1.00 0.00 O ATOM 179 CB ILE A 13 5.833 0.797 8.303 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.743 0.683 6.774 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.654 1.644 8.841 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.284 0.497 6.345 1.00 0.00 C ATOM 0 H ILE A 13 7.308 -0.053 10.257 1.00 0.00 H new ATOM 0 HA ILE A 13 7.771 1.734 7.824 1.00 0.00 H new ATOM 0 HB ILE A 13 5.748 -0.186 8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.155 1.579 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.342 -0.160 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.711 1.188 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.704 1.688 9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.715 2.653 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.231 0.417 5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.885 -0.412 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.696 1.353 6.675 1.00 0.00 H new ATOM 194 N LYS A 14 6.401 3.579 9.161 1.00 0.00 N ATOM 195 CA LYS A 14 6.248 4.829 9.953 1.00 0.00 C ATOM 196 C LYS A 14 5.020 5.628 9.489 1.00 0.00 C ATOM 197 O LYS A 14 4.264 6.097 10.316 1.00 0.00 O ATOM 198 CB LYS A 14 7.546 5.629 9.798 1.00 0.00 C ATOM 199 CG LYS A 14 7.827 5.946 8.330 1.00 0.00 C ATOM 200 CD LYS A 14 8.793 7.130 8.246 1.00 0.00 C ATOM 201 CE LYS A 14 10.012 6.739 7.404 1.00 0.00 C ATOM 202 NZ LYS A 14 10.589 8.029 6.923 1.00 0.00 N ATOM 0 H LYS A 14 5.890 3.567 8.278 1.00 0.00 H new ATOM 0 HA LYS A 14 6.078 4.602 11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.475 6.557 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.378 5.062 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.256 5.076 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.897 6.182 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.292 7.990 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.109 7.426 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.737 6.181 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.724 6.101 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.477 8.096 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.093 8.822 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.600 8.069 7.165 1.00 0.00 H new ATOM 216 N LYS A 15 4.761 5.799 8.197 1.00 0.00 N ATOM 217 CA LYS A 15 3.523 6.576 7.863 1.00 0.00 C ATOM 218 C LYS A 15 2.890 6.161 6.559 1.00 0.00 C ATOM 219 O LYS A 15 3.533 5.885 5.580 1.00 0.00 O ATOM 220 CB LYS A 15 3.911 8.052 7.862 1.00 0.00 C ATOM 221 CG LYS A 15 2.676 8.874 7.551 1.00 0.00 C ATOM 222 CD LYS A 15 2.813 10.229 8.235 1.00 0.00 C ATOM 223 CE LYS A 15 2.148 11.310 7.378 1.00 0.00 C ATOM 224 NZ LYS A 15 3.131 11.614 6.300 1.00 0.00 N ATOM 0 H LYS A 15 5.317 5.456 7.413 1.00 0.00 H new ATOM 0 HA LYS A 15 2.756 6.374 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.321 8.336 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.687 8.239 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.568 9.002 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.781 8.361 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.350 10.198 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.866 10.467 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.204 10.957 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.924 12.198 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.388 12.621 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.984 11.034 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.709 11.399 5.374 1.00 0.00 H new ATOM 238 N VAL A 16 1.609 6.118 6.556 1.00 0.00 N ATOM 239 CA VAL A 16 0.884 5.723 5.305 1.00 0.00 C ATOM 240 C VAL A 16 -0.254 6.681 5.013 1.00 0.00 C ATOM 241 O VAL A 16 -1.278 6.707 5.666 1.00 0.00 O ATOM 242 CB VAL A 16 0.357 4.291 5.488 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.650 3.493 4.217 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.040 3.609 6.680 1.00 0.00 C ATOM 0 H VAL A 16 1.014 6.336 7.356 1.00 0.00 H new ATOM 0 HA VAL A 16 1.565 5.764 4.455 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.716 4.329 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.281 2.474 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.153 3.964 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.725 3.471 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.652 2.596 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.116 3.569 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.838 4.177 7.588 1.00 0.00 H new ATOM 254 N LEU A 17 -0.049 7.450 4.001 1.00 0.00 N ATOM 255 CA LEU A 17 -1.076 8.443 3.556 1.00 0.00 C ATOM 256 C LEU A 17 -1.827 7.938 2.342 1.00 0.00 C ATOM 257 O LEU A 17 -1.270 7.635 1.308 1.00 0.00 O ATOM 258 CB LEU A 17 -0.340 9.722 3.258 1.00 0.00 C ATOM 259 CG LEU A 17 -0.686 10.767 4.298 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.060 12.105 3.912 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.204 10.911 4.411 1.00 0.00 C ATOM 0 H LEU A 17 0.803 7.442 3.441 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.825 8.606 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.735 9.541 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.606 10.082 2.264 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.290 10.454 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.311 12.854 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.023 11.997 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.444 12.420 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.443 11.665 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.613 11.215 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.639 9.956 4.705 1.00 0.00 H new ATOM 273 N VAL A 18 -3.108 7.861 2.493 1.00 0.00 N ATOM 274 CA VAL A 18 -3.979 7.381 1.375 1.00 0.00 C ATOM 275 C VAL A 18 -5.284 8.188 1.358 1.00 0.00 C ATOM 276 O VAL A 18 -5.804 8.540 2.399 1.00 0.00 O ATOM 277 CB VAL A 18 -4.251 5.906 1.676 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.128 5.300 0.576 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.925 5.139 1.737 1.00 0.00 C ATOM 0 H VAL A 18 -3.605 8.110 3.348 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.512 7.504 0.398 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.766 5.831 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.317 4.250 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.075 5.837 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.617 5.382 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.122 4.089 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.411 5.224 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.298 5.559 2.524 1.00 0.00 H new ATOM 289 N PRO A 19 -5.763 8.474 0.171 1.00 0.00 N ATOM 290 CA PRO A 19 -7.010 9.275 0.020 1.00 0.00 C ATOM 291 C PRO A 19 -8.225 8.499 0.565 1.00 0.00 C ATOM 292 O PRO A 19 -8.461 7.369 0.188 1.00 0.00 O ATOM 293 CB PRO A 19 -7.112 9.488 -1.495 1.00 0.00 C ATOM 294 CG PRO A 19 -6.342 8.375 -2.089 1.00 0.00 C ATOM 295 CD PRO A 19 -5.207 8.082 -1.130 1.00 0.00 C ATOM 0 HA PRO A 19 -6.991 10.213 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.150 9.472 -1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.699 10.454 -1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.972 7.496 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.959 8.649 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.926 7.029 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.313 8.655 -1.376 1.00 0.00 H new ATOM 303 N GLY A 20 -8.992 9.088 1.459 1.00 0.00 N ATOM 304 CA GLY A 20 -10.170 8.366 2.021 1.00 0.00 C ATOM 305 C GLY A 20 -10.034 8.316 3.543 1.00 0.00 C ATOM 306 O GLY A 20 -10.648 9.079 4.261 1.00 0.00 O ATOM 0 H GLY A 20 -8.849 10.032 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.093 8.873 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.224 7.357 1.613 1.00 0.00 H new ATOM 310 N CYS A 21 -9.220 7.425 4.035 1.00 0.00 N ATOM 311 CA CYS A 21 -9.026 7.327 5.523 1.00 0.00 C ATOM 312 C CYS A 21 -7.863 8.237 5.963 1.00 0.00 C ATOM 313 O CYS A 21 -6.813 8.217 5.353 1.00 0.00 O ATOM 314 CB CYS A 21 -8.686 5.870 5.825 1.00 0.00 C ATOM 315 SG CYS A 21 -9.672 4.769 4.772 1.00 0.00 S ATOM 0 H CYS A 21 -8.680 6.760 3.481 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.922 7.643 6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.624 5.694 5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.881 5.653 6.875 1.00 0.00 H new ATOM 320 N HIS A 22 -8.002 9.026 7.015 1.00 0.00 N ATOM 321 CA HIS A 22 -6.845 9.878 7.427 1.00 0.00 C ATOM 322 C HIS A 22 -6.727 9.933 8.931 1.00 0.00 C ATOM 323 O HIS A 22 -5.939 10.677 9.479 1.00 0.00 O ATOM 324 CB HIS A 22 -7.062 11.280 6.815 1.00 0.00 C ATOM 325 CG HIS A 22 -8.533 11.598 6.765 1.00 0.00 C ATOM 326 ND1 HIS A 22 -9.567 11.301 7.619 1.00 0.00 N flip ATOM 327 CD2 HIS A 22 -9.097 12.316 5.723 1.00 0.00 C flip ATOM 328 CE1 HIS A 22 -10.754 11.826 7.117 1.00 0.00 C flip ATOM 329 NE2 HIS A 22 -10.414 12.427 5.973 1.00 0.00 N flip ATOM 0 H HIS A 22 -8.843 9.111 7.586 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.907 9.459 7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.539 12.030 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.639 11.317 5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.574 12.714 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.738 11.762 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.073 12.911 5.363 1.00 0.00 H new ATOM 337 N GLY A 23 -7.456 9.115 9.603 1.00 0.00 N ATOM 338 CA GLY A 23 -7.317 9.089 11.084 1.00 0.00 C ATOM 339 C GLY A 23 -8.237 8.029 11.693 1.00 0.00 C ATOM 340 O GLY A 23 -8.610 7.077 11.038 1.00 0.00 O ATOM 0 H GLY A 23 -8.137 8.466 9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.282 8.878 11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.560 10.069 11.495 1.00 0.00 H new ATOM 344 N SER A 24 -8.613 8.176 12.945 1.00 0.00 N ATOM 345 CA SER A 24 -9.509 7.154 13.557 1.00 0.00 C ATOM 346 C SER A 24 -10.868 7.176 12.864 1.00 0.00 C ATOM 347 O SER A 24 -11.710 6.327 13.085 1.00 0.00 O ATOM 348 CB SER A 24 -9.659 7.582 14.995 1.00 0.00 C ATOM 349 OG SER A 24 -8.474 8.244 15.420 1.00 0.00 O ATOM 0 H SER A 24 -8.341 8.947 13.555 1.00 0.00 H new ATOM 0 HA SER A 24 -9.110 6.144 13.466 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.517 8.246 15.100 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.849 6.714 15.626 1.00 0.00 H new ATOM 0 HG SER A 24 -8.573 8.524 16.354 1.00 0.00 H new ATOM 355 N GLU A 25 -11.075 8.139 12.022 1.00 0.00 N ATOM 356 CA GLU A 25 -12.327 8.262 11.293 1.00 0.00 C ATOM 357 C GLU A 25 -12.614 7.126 10.366 1.00 0.00 C ATOM 358 O GLU A 25 -11.903 6.153 10.215 1.00 0.00 O ATOM 359 CB GLU A 25 -12.143 9.510 10.484 1.00 0.00 C ATOM 360 CG GLU A 25 -12.718 10.669 11.257 1.00 0.00 C ATOM 361 CD GLU A 25 -11.691 11.797 11.372 1.00 0.00 C ATOM 362 OE1 GLU A 25 -10.930 11.784 12.326 1.00 0.00 O ATOM 363 OE2 GLU A 25 -11.685 12.657 10.507 1.00 0.00 O ATOM 0 H GLU A 25 -10.392 8.867 11.811 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.165 8.275 11.990 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.085 9.677 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.641 9.413 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.616 11.036 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.017 10.338 12.252 1.00 0.00 H new ATOM 370 N PRO A 26 -13.750 7.347 9.860 1.00 0.00 N ATOM 371 CA PRO A 26 -14.494 6.488 8.962 1.00 0.00 C ATOM 372 C PRO A 26 -14.435 7.014 7.545 1.00 0.00 C ATOM 373 O PRO A 26 -14.917 8.079 7.216 1.00 0.00 O ATOM 374 CB PRO A 26 -15.875 6.612 9.646 1.00 0.00 C ATOM 375 CG PRO A 26 -15.767 7.887 10.488 1.00 0.00 C ATOM 376 CD PRO A 26 -14.535 8.529 10.095 1.00 0.00 C ATOM 0 HA PRO A 26 -14.151 5.461 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.677 6.687 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.091 5.742 10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.620 8.542 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.760 7.651 11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.645 9.149 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.120 9.165 10.877 1.00 0.00 H new ATOM 384 N CYS A 27 -13.821 6.234 6.718 1.00 0.00 N ATOM 385 CA CYS A 27 -13.671 6.622 5.274 1.00 0.00 C ATOM 386 C CYS A 27 -14.532 5.746 4.395 1.00 0.00 C ATOM 387 O CYS A 27 -14.290 4.572 4.197 1.00 0.00 O ATOM 388 CB CYS A 27 -12.187 6.482 4.918 1.00 0.00 C ATOM 389 SG CYS A 27 -11.548 4.896 5.522 1.00 0.00 S ATOM 0 H CYS A 27 -13.409 5.335 6.968 1.00 0.00 H new ATOM 0 HA CYS A 27 -14.001 7.648 5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.056 6.548 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.620 7.303 5.358 1.00 0.00 H new ATOM 394 N ILE A 28 -15.537 6.352 3.859 1.00 0.00 N ATOM 395 CA ILE A 28 -16.471 5.687 2.972 1.00 0.00 C ATOM 396 C ILE A 28 -15.854 5.684 1.574 1.00 0.00 C ATOM 397 O ILE A 28 -14.673 5.910 1.408 1.00 0.00 O ATOM 398 CB ILE A 28 -17.672 6.610 3.100 1.00 0.00 C ATOM 399 CG1 ILE A 28 -18.045 6.748 4.522 1.00 0.00 C ATOM 400 CG2 ILE A 28 -18.865 6.101 2.341 1.00 0.00 C ATOM 401 CD1 ILE A 28 -18.468 5.391 5.107 1.00 0.00 C ATOM 0 H ILE A 28 -15.748 7.337 4.018 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.723 4.648 3.186 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.383 7.572 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.202 7.146 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.862 7.463 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -19.697 6.794 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -18.615 6.017 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -19.150 5.121 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -18.739 5.515 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -19.325 5.008 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.640 4.686 5.027 1.00 0.00 H new ATOM 413 N ILE A 29 -16.633 5.449 0.583 1.00 0.00 N ATOM 414 CA ILE A 29 -16.111 5.448 -0.800 1.00 0.00 C ATOM 415 C ILE A 29 -16.925 6.381 -1.666 1.00 0.00 C ATOM 416 O ILE A 29 -18.101 6.188 -1.900 1.00 0.00 O ATOM 417 CB ILE A 29 -16.147 4.007 -1.263 1.00 0.00 C ATOM 418 CG1 ILE A 29 -14.818 3.693 -1.948 1.00 0.00 C ATOM 419 CG2 ILE A 29 -17.319 3.743 -2.224 1.00 0.00 C ATOM 420 CD1 ILE A 29 -14.628 4.564 -3.191 1.00 0.00 C ATOM 0 H ILE A 29 -17.630 5.253 0.666 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.089 5.821 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 29 -16.296 3.360 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.996 3.861 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.788 2.640 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.308 2.698 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -18.260 3.963 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.220 4.381 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.675 4.323 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.439 4.375 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.635 5.615 -2.903 1.00 0.00 H new ATOM 432 N HIS A 30 -16.292 7.405 -2.123 1.00 0.00 N ATOM 433 CA HIS A 30 -17.017 8.391 -2.969 1.00 0.00 C ATOM 434 C HIS A 30 -17.406 7.751 -4.301 1.00 0.00 C ATOM 435 O HIS A 30 -18.399 7.058 -4.399 1.00 0.00 O ATOM 436 CB HIS A 30 -16.088 9.588 -3.179 1.00 0.00 C ATOM 437 CG HIS A 30 -16.622 10.438 -4.302 1.00 0.00 C ATOM 438 ND1 HIS A 30 -15.792 11.041 -5.233 1.00 0.00 N ATOM 439 CD2 HIS A 30 -17.900 10.783 -4.658 1.00 0.00 C ATOM 440 CE1 HIS A 30 -16.574 11.711 -6.098 1.00 0.00 C ATOM 441 NE2 HIS A 30 -17.870 11.587 -5.793 1.00 0.00 N ATOM 0 H HIS A 30 -15.307 7.611 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 30 -17.938 8.719 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -16.019 10.175 -2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.080 9.245 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -18.795 10.477 -4.136 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -16.201 12.280 -6.937 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -18.665 11.994 -6.286 1.00 0.00 H new ATOM 449 N ARG A 31 -16.618 7.955 -5.313 1.00 0.00 N ATOM 450 CA ARG A 31 -16.918 7.347 -6.644 1.00 0.00 C ATOM 451 C ARG A 31 -15.662 7.349 -7.507 1.00 0.00 C ATOM 452 O ARG A 31 -14.690 8.001 -7.187 1.00 0.00 O ATOM 453 CB ARG A 31 -17.988 8.202 -7.278 1.00 0.00 C ATOM 454 CG ARG A 31 -19.322 7.872 -6.645 1.00 0.00 C ATOM 455 CD ARG A 31 -20.423 8.431 -7.547 1.00 0.00 C ATOM 456 NE ARG A 31 -21.708 8.033 -6.904 1.00 0.00 N ATOM 457 CZ ARG A 31 -22.424 7.073 -7.422 1.00 0.00 C ATOM 458 NH1 ARG A 31 -23.176 7.308 -8.461 1.00 0.00 N ATOM 459 NH2 ARG A 31 -22.392 5.878 -6.898 1.00 0.00 N ATOM 0 H ARG A 31 -15.770 8.521 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 31 -17.253 6.315 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.757 9.258 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.026 8.022 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.433 6.794 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.389 8.307 -5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.347 9.515 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.347 8.025 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 31 -22.027 8.510 -6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -23.205 8.242 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.736 6.557 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.807 5.694 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.952 5.128 -7.304 1.00 0.00 H new ATOM 473 N GLY A 32 -15.649 6.611 -8.581 1.00 0.00 N ATOM 474 CA GLY A 32 -14.442 6.574 -9.404 1.00 0.00 C ATOM 475 C GLY A 32 -13.404 5.854 -8.565 1.00 0.00 C ATOM 476 O GLY A 32 -13.225 6.207 -7.418 1.00 0.00 O ATOM 0 H GLY A 32 -16.426 6.039 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.622 6.049 -10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.111 7.580 -9.661 1.00 0.00 H new ATOM 480 N LYS A 33 -12.786 4.790 -9.032 1.00 0.00 N ATOM 481 CA LYS A 33 -11.892 4.096 -8.125 1.00 0.00 C ATOM 482 C LYS A 33 -10.418 4.072 -8.507 1.00 0.00 C ATOM 483 O LYS A 33 -9.953 3.215 -9.242 1.00 0.00 O ATOM 484 CB LYS A 33 -12.469 2.730 -8.021 1.00 0.00 C ATOM 485 CG LYS A 33 -13.872 2.897 -7.486 1.00 0.00 C ATOM 486 CD LYS A 33 -13.825 3.418 -6.058 1.00 0.00 C ATOM 487 CE LYS A 33 -14.113 2.275 -5.082 1.00 0.00 C ATOM 488 NZ LYS A 33 -15.595 2.119 -5.097 1.00 0.00 N ATOM 0 H LYS A 33 -12.874 4.404 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.849 4.632 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.481 2.239 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.872 2.106 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.430 3.589 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.398 1.943 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.846 3.849 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.558 4.214 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.616 1.356 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.751 2.510 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.917 1.773 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.039 3.038 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.865 1.437 -5.834 1.00 0.00 H new ATOM 502 N PRO A 34 -9.730 5.012 -7.957 1.00 0.00 N ATOM 503 CA PRO A 34 -8.276 5.165 -8.108 1.00 0.00 C ATOM 504 C PRO A 34 -7.620 4.759 -6.801 1.00 0.00 C ATOM 505 O PRO A 34 -8.145 4.994 -5.730 1.00 0.00 O ATOM 506 CB PRO A 34 -8.164 6.667 -8.326 1.00 0.00 C ATOM 507 CG PRO A 34 -9.374 7.250 -7.612 1.00 0.00 C ATOM 508 CD PRO A 34 -10.256 6.093 -7.174 1.00 0.00 C ATOM 0 HA PRO A 34 -7.811 4.574 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.234 7.059 -7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.172 6.915 -9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.062 7.840 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.923 7.919 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.176 5.900 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.309 6.278 -7.387 1.00 0.00 H new ATOM 516 N PHE A 35 -6.477 4.159 -6.870 1.00 0.00 N ATOM 517 CA PHE A 35 -5.799 3.753 -5.611 1.00 0.00 C ATOM 518 C PHE A 35 -4.434 4.427 -5.530 1.00 0.00 C ATOM 519 O PHE A 35 -3.460 3.951 -6.089 1.00 0.00 O ATOM 520 CB PHE A 35 -5.663 2.235 -5.654 1.00 0.00 C ATOM 521 CG PHE A 35 -6.921 1.622 -6.265 1.00 0.00 C ATOM 522 CD1 PHE A 35 -8.197 2.110 -5.911 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.819 0.562 -7.184 1.00 0.00 C ATOM 524 CE1 PHE A 35 -9.349 1.544 -6.470 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.976 0.001 -7.740 1.00 0.00 C ATOM 526 CZ PHE A 35 -9.238 0.491 -7.384 1.00 0.00 C ATOM 0 H PHE A 35 -5.982 3.931 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.366 4.054 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.788 1.955 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.509 1.845 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.285 2.923 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.848 0.180 -7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.323 1.920 -6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.894 -0.812 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.127 0.055 -7.816 1.00 0.00 H new ATOM 536 N GLN A 36 -4.371 5.545 -4.870 1.00 0.00 N ATOM 537 CA GLN A 36 -3.071 6.288 -4.741 1.00 0.00 C ATOM 538 C GLN A 36 -2.616 6.271 -3.264 1.00 0.00 C ATOM 539 O GLN A 36 -2.874 7.201 -2.526 1.00 0.00 O ATOM 540 CB GLN A 36 -3.361 7.718 -5.186 1.00 0.00 C ATOM 541 CG GLN A 36 -3.595 7.730 -6.639 1.00 0.00 C ATOM 542 CD GLN A 36 -4.942 7.056 -6.985 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.927 7.304 -6.318 1.00 0.00 O ATOM 544 NE2 GLN A 36 -5.045 6.204 -7.997 1.00 0.00 N ATOM 0 H GLN A 36 -5.165 5.987 -4.407 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.280 5.839 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.234 8.106 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.523 8.368 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.593 8.757 -7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.782 7.210 -7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.227 5.986 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.942 5.767 -8.206 1.00 0.00 H new ATOM 553 N LEU A 37 -1.945 5.229 -2.821 1.00 0.00 N ATOM 554 CA LEU A 37 -1.494 5.178 -1.400 1.00 0.00 C ATOM 555 C LEU A 37 0.040 5.315 -1.336 1.00 0.00 C ATOM 556 O LEU A 37 0.750 4.794 -2.174 1.00 0.00 O ATOM 557 CB LEU A 37 -1.986 3.796 -0.886 1.00 0.00 C ATOM 558 CG LEU A 37 -1.198 2.648 -1.521 1.00 0.00 C ATOM 559 CD1 LEU A 37 0.151 2.479 -0.815 1.00 0.00 C ATOM 560 CD2 LEU A 37 -1.992 1.340 -1.379 1.00 0.00 C ATOM 0 H LEU A 37 -1.694 4.417 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.891 5.987 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.884 3.753 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.046 3.679 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.034 2.878 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.703 1.659 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.727 3.400 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.015 2.257 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.431 0.523 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.156 1.127 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.954 1.442 -1.882 1.00 0.00 H new ATOM 572 N GLU A 38 0.556 6.037 -0.361 1.00 0.00 N ATOM 573 CA GLU A 38 2.034 6.232 -0.264 1.00 0.00 C ATOM 574 C GLU A 38 2.443 6.175 1.173 1.00 0.00 C ATOM 575 O GLU A 38 1.773 6.640 2.060 1.00 0.00 O ATOM 576 CB GLU A 38 2.286 7.623 -0.874 1.00 0.00 C ATOM 577 CG GLU A 38 1.382 8.654 -0.189 1.00 0.00 C ATOM 578 CD GLU A 38 2.086 10.011 -0.163 1.00 0.00 C ATOM 579 OE1 GLU A 38 2.956 10.221 -0.991 1.00 0.00 O ATOM 580 OE2 GLU A 38 1.744 10.818 0.687 1.00 0.00 O ATOM 0 H GLU A 38 0.012 6.497 0.369 1.00 0.00 H new ATOM 0 HA GLU A 38 2.609 5.466 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.332 7.902 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.086 7.603 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.435 8.734 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.150 8.333 0.827 1.00 0.00 H new ATOM 587 N ALA A 39 3.529 5.539 1.388 1.00 0.00 N ATOM 588 CA ALA A 39 4.015 5.353 2.796 1.00 0.00 C ATOM 589 C ALA A 39 5.533 5.448 2.908 1.00 0.00 C ATOM 590 O ALA A 39 6.283 5.138 2.006 1.00 0.00 O ATOM 591 CB ALA A 39 3.550 3.938 3.167 1.00 0.00 C ATOM 0 H ALA A 39 4.120 5.130 0.664 1.00 0.00 H new ATOM 0 HA ALA A 39 3.626 6.130 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.861 3.708 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.464 3.882 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.995 3.217 2.481 1.00 0.00 H new ATOM 597 N VAL A 40 5.951 5.868 4.060 1.00 0.00 N ATOM 598 CA VAL A 40 7.390 6.010 4.387 1.00 0.00 C ATOM 599 C VAL A 40 7.774 4.939 5.412 1.00 0.00 C ATOM 600 O VAL A 40 7.004 4.600 6.307 1.00 0.00 O ATOM 601 CB VAL A 40 7.604 7.414 4.926 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.021 8.336 3.776 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.322 7.930 5.545 1.00 0.00 C ATOM 0 H VAL A 40 5.326 6.130 4.822 1.00 0.00 H new ATOM 0 HA VAL A 40 8.022 5.869 3.510 1.00 0.00 H new ATOM 0 HB VAL A 40 8.385 7.394 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.176 9.345 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.947 7.969 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.237 8.350 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.483 8.937 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.536 7.951 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.023 7.274 6.362 1.00 0.00 H new ATOM 613 N PHE A 41 8.968 4.399 5.238 1.00 0.00 N ATOM 614 CA PHE A 41 9.511 3.328 6.097 1.00 0.00 C ATOM 615 C PHE A 41 11.041 3.390 6.002 1.00 0.00 C ATOM 616 O PHE A 41 11.610 3.277 4.929 1.00 0.00 O ATOM 617 CB PHE A 41 9.037 1.992 5.481 1.00 0.00 C ATOM 618 CG PHE A 41 9.022 2.076 3.965 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.207 1.888 3.232 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.819 2.316 3.288 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.186 1.948 1.831 1.00 0.00 C ATOM 622 CE2 PHE A 41 7.799 2.369 1.890 1.00 0.00 C ATOM 623 CZ PHE A 41 8.982 2.187 1.162 1.00 0.00 C ATOM 0 H PHE A 41 9.604 4.685 4.493 1.00 0.00 H new ATOM 0 HA PHE A 41 9.190 3.426 7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.697 1.185 5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.039 1.751 5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.136 1.697 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.906 2.460 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.098 1.810 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.869 2.551 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.964 2.231 0.083 1.00 0.00 H new ATOM 633 N GLU A 42 11.717 3.573 7.081 1.00 0.00 N ATOM 634 CA GLU A 42 13.208 3.594 7.011 1.00 0.00 C ATOM 635 C GLU A 42 13.686 2.200 6.684 1.00 0.00 C ATOM 636 O GLU A 42 13.067 1.203 6.998 1.00 0.00 O ATOM 637 CB GLU A 42 13.733 3.976 8.373 1.00 0.00 C ATOM 638 CG GLU A 42 15.125 4.571 8.177 1.00 0.00 C ATOM 639 CD GLU A 42 15.582 5.264 9.461 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.760 4.574 10.452 1.00 0.00 O ATOM 641 OE2 GLU A 42 15.747 6.472 9.433 1.00 0.00 O ATOM 0 H GLU A 42 11.318 3.709 8.010 1.00 0.00 H new ATOM 0 HA GLU A 42 13.553 4.300 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.071 4.698 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.777 3.104 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.831 3.785 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.112 5.285 7.353 1.00 0.00 H new ATOM 648 N ALA A 43 14.796 2.155 6.080 1.00 0.00 N ATOM 649 CA ALA A 43 15.423 0.852 5.708 1.00 0.00 C ATOM 650 C ALA A 43 16.219 0.353 6.885 1.00 0.00 C ATOM 651 O ALA A 43 17.001 1.081 7.465 1.00 0.00 O ATOM 652 CB ALA A 43 16.347 1.172 4.526 1.00 0.00 C ATOM 0 H ALA A 43 15.334 2.978 5.808 1.00 0.00 H new ATOM 0 HA ALA A 43 14.696 0.085 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.845 0.260 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.759 1.582 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.095 1.902 4.836 1.00 0.00 H new ATOM 658 N ASN A 44 16.045 -0.882 7.248 1.00 0.00 N ATOM 659 CA ASN A 44 16.821 -1.376 8.379 1.00 0.00 C ATOM 660 C ASN A 44 17.815 -2.418 8.022 1.00 0.00 C ATOM 661 O ASN A 44 18.001 -3.455 8.626 1.00 0.00 O ATOM 662 CB ASN A 44 15.919 -1.708 9.569 1.00 0.00 C ATOM 663 CG ASN A 44 14.580 -2.364 9.142 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.607 -2.241 9.858 1.00 0.00 O ATOM 665 ND2 ASN A 44 14.457 -3.053 8.025 1.00 0.00 N ATOM 0 H ASN A 44 15.409 -1.550 6.812 1.00 0.00 H new ATOM 0 HA ASN A 44 17.458 -0.558 8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.449 -2.380 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.710 -0.795 10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.559 -3.469 7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.260 -3.170 7.407 1.00 0.00 H new ATOM 672 N GLN A 45 18.509 -1.999 7.049 1.00 0.00 N ATOM 673 CA GLN A 45 19.644 -2.696 6.486 1.00 0.00 C ATOM 674 C GLN A 45 20.098 -2.133 5.157 1.00 0.00 C ATOM 675 O GLN A 45 19.832 -0.996 4.794 1.00 0.00 O ATOM 676 CB GLN A 45 19.187 -4.087 6.257 1.00 0.00 C ATOM 677 CG GLN A 45 17.781 -4.041 5.681 1.00 0.00 C ATOM 678 CD GLN A 45 17.007 -5.321 6.063 1.00 0.00 C ATOM 679 OE1 GLN A 45 17.024 -5.721 7.210 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.325 -5.988 5.158 1.00 0.00 N ATOM 0 H GLN A 45 18.312 -1.115 6.579 1.00 0.00 H new ATOM 0 HA GLN A 45 20.488 -2.606 7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.861 -4.600 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.196 -4.648 7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.255 -3.163 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.827 -3.945 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.304 -5.661 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.817 -6.832 5.422 1.00 0.00 H new ATOM 689 N ASN A 46 20.848 -2.911 4.462 1.00 0.00 N ATOM 690 CA ASN A 46 21.402 -2.505 3.162 1.00 0.00 C ATOM 691 C ASN A 46 20.736 -3.296 2.091 1.00 0.00 C ATOM 692 O ASN A 46 20.258 -4.394 2.293 1.00 0.00 O ATOM 693 CB ASN A 46 22.813 -2.910 3.279 1.00 0.00 C ATOM 694 CG ASN A 46 23.585 -2.539 2.013 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.805 -1.375 1.739 1.00 0.00 O ATOM 696 ND2 ASN A 46 24.010 -3.487 1.221 1.00 0.00 N ATOM 0 H ASN A 46 21.112 -3.852 4.753 1.00 0.00 H new ATOM 0 HA ASN A 46 21.271 -1.449 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.266 -2.424 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.876 -3.985 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.526 -3.250 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 46 23.826 -4.464 1.450 1.00 0.00 H new ATOM 703 N THR A 47 20.682 -2.731 0.972 1.00 0.00 N ATOM 704 CA THR A 47 19.994 -3.454 -0.151 1.00 0.00 C ATOM 705 C THR A 47 20.132 -2.749 -1.494 1.00 0.00 C ATOM 706 O THR A 47 20.300 -1.559 -1.547 1.00 0.00 O ATOM 707 CB THR A 47 18.528 -3.450 0.305 1.00 0.00 C ATOM 708 OG1 THR A 47 17.669 -3.661 -0.806 1.00 0.00 O ATOM 709 CG2 THR A 47 18.160 -2.106 0.953 1.00 0.00 C ATOM 0 H THR A 47 21.066 -1.813 0.747 1.00 0.00 H new ATOM 0 HA THR A 47 20.419 -4.443 -0.321 1.00 0.00 H new ATOM 0 HB THR A 47 18.406 -4.251 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.737 -3.658 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.117 -2.127 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.797 -1.934 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.305 -1.302 0.231 1.00 0.00 H new ATOM 717 N LYS A 48 20.026 -3.460 -2.590 1.00 0.00 N ATOM 718 CA LYS A 48 20.111 -2.760 -3.924 1.00 0.00 C ATOM 719 C LYS A 48 18.742 -2.770 -4.631 1.00 0.00 C ATOM 720 O LYS A 48 18.639 -2.361 -5.766 1.00 0.00 O ATOM 721 CB LYS A 48 21.121 -3.522 -4.767 1.00 0.00 C ATOM 722 CG LYS A 48 22.455 -3.632 -4.027 1.00 0.00 C ATOM 723 CD LYS A 48 23.041 -5.032 -4.230 1.00 0.00 C ATOM 724 CE LYS A 48 24.518 -5.036 -3.824 1.00 0.00 C ATOM 725 NZ LYS A 48 25.178 -5.986 -4.766 1.00 0.00 N ATOM 0 H LYS A 48 19.888 -4.470 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 48 20.411 -1.721 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.739 -4.518 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.267 -3.013 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.151 -2.879 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.310 -3.438 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.488 -5.758 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.940 -5.332 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.951 -4.039 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.642 -5.357 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.194 -6.041 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.751 -6.929 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.051 -5.651 -5.742 1.00 0.00 H new ATOM 739 N THR A 49 17.685 -3.218 -3.981 1.00 0.00 N ATOM 740 CA THR A 49 16.355 -3.221 -4.637 1.00 0.00 C ATOM 741 C THR A 49 15.252 -3.492 -3.639 1.00 0.00 C ATOM 742 O THR A 49 15.402 -4.244 -2.696 1.00 0.00 O ATOM 743 CB THR A 49 16.374 -4.292 -5.684 1.00 0.00 C ATOM 744 OG1 THR A 49 17.243 -5.352 -5.306 1.00 0.00 O ATOM 745 CG2 THR A 49 16.833 -3.645 -6.977 1.00 0.00 C ATOM 0 H THR A 49 17.699 -3.578 -3.027 1.00 0.00 H new ATOM 0 HA THR A 49 16.158 -2.244 -5.079 1.00 0.00 H new ATOM 0 HB THR A 49 15.383 -4.728 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.240 -6.042 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.861 -4.394 -7.769 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.139 -2.851 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.829 -3.225 -6.840 1.00 0.00 H new ATOM 753 N ALA A 50 14.138 -2.891 -3.867 1.00 0.00 N ATOM 754 CA ALA A 50 12.969 -3.100 -2.962 1.00 0.00 C ATOM 755 C ALA A 50 11.696 -3.116 -3.773 1.00 0.00 C ATOM 756 O ALA A 50 11.127 -2.103 -4.115 1.00 0.00 O ATOM 757 CB ALA A 50 12.973 -1.943 -1.956 1.00 0.00 C ATOM 0 H ALA A 50 13.972 -2.254 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 50 13.031 -4.053 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.133 -2.054 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.905 -1.955 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.884 -0.997 -2.490 1.00 0.00 H new ATOM 763 N LYS A 51 11.270 -4.295 -4.054 1.00 0.00 N ATOM 764 CA LYS A 51 10.010 -4.499 -4.849 1.00 0.00 C ATOM 765 C LYS A 51 8.784 -4.070 -4.040 1.00 0.00 C ATOM 766 O LYS A 51 8.879 -3.671 -2.888 1.00 0.00 O ATOM 767 CB LYS A 51 9.930 -5.999 -5.175 1.00 0.00 C ATOM 768 CG LYS A 51 11.335 -6.560 -5.419 1.00 0.00 C ATOM 769 CD LYS A 51 11.290 -7.584 -6.554 1.00 0.00 C ATOM 770 CE LYS A 51 10.566 -8.846 -6.079 1.00 0.00 C ATOM 771 NZ LYS A 51 10.729 -9.821 -7.193 1.00 0.00 N ATOM 0 H LYS A 51 11.737 -5.156 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 51 10.026 -3.897 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.454 -6.533 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.309 -6.155 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.021 -5.752 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.714 -7.027 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.777 -7.162 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.302 -7.832 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.000 -9.226 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.513 -8.646 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.259 -10.715 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.301 -9.434 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.741 -9.996 -7.356 1.00 0.00 H new ATOM 785 N ILE A 52 7.635 -4.223 -4.631 1.00 0.00 N ATOM 786 CA ILE A 52 6.343 -3.855 -3.947 1.00 0.00 C ATOM 787 C ILE A 52 5.264 -4.890 -4.257 1.00 0.00 C ATOM 788 O ILE A 52 5.155 -5.362 -5.371 1.00 0.00 O ATOM 789 CB ILE A 52 5.854 -2.496 -4.516 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.893 -1.441 -4.276 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.572 -2.095 -3.795 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.356 -0.061 -4.717 1.00 0.00 C ATOM 0 H ILE A 52 7.523 -4.593 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 52 6.516 -3.806 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 52 5.675 -2.593 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.160 -1.416 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.801 -1.681 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.218 -1.141 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.810 -2.858 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.770 -1.999 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.117 0.699 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.111 -0.088 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.461 0.181 -4.144 1.00 0.00 H new ATOM 804 N GLU A 53 4.453 -5.241 -3.299 1.00 0.00 N ATOM 805 CA GLU A 53 3.393 -6.221 -3.575 1.00 0.00 C ATOM 806 C GLU A 53 2.128 -5.832 -2.870 1.00 0.00 C ATOM 807 O GLU A 53 1.977 -5.923 -1.660 1.00 0.00 O ATOM 808 CB GLU A 53 3.930 -7.550 -3.097 1.00 0.00 C ATOM 809 CG GLU A 53 2.810 -8.593 -3.083 1.00 0.00 C ATOM 810 CD GLU A 53 2.645 -9.181 -4.486 1.00 0.00 C ATOM 811 OE1 GLU A 53 3.625 -9.212 -5.214 1.00 0.00 O ATOM 812 OE2 GLU A 53 1.543 -9.592 -4.809 1.00 0.00 O ATOM 0 H GLU A 53 4.486 -4.887 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 53 3.140 -6.272 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.738 -7.881 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.351 -7.443 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.044 -9.384 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.876 -8.135 -2.756 1.00 0.00 H new ATOM 819 N ILE A 54 1.229 -5.400 -3.675 1.00 0.00 N ATOM 820 CA ILE A 54 -0.115 -4.970 -3.200 1.00 0.00 C ATOM 821 C ILE A 54 -1.059 -6.150 -3.239 1.00 0.00 C ATOM 822 O ILE A 54 -1.273 -6.770 -4.262 1.00 0.00 O ATOM 823 CB ILE A 54 -0.595 -3.937 -4.191 1.00 0.00 C ATOM 824 CG1 ILE A 54 -1.960 -3.481 -3.712 1.00 0.00 C ATOM 825 CG2 ILE A 54 -0.723 -4.556 -5.593 1.00 0.00 C ATOM 826 CD1 ILE A 54 -1.909 -2.000 -3.349 1.00 0.00 C ATOM 0 H ILE A 54 1.362 -5.319 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.075 -4.579 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 54 0.108 -3.106 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.704 -3.649 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.267 -4.067 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.070 -3.798 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.248 -4.931 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.438 -5.378 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.891 -1.676 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.178 -1.845 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.622 -1.420 -4.226 1.00 0.00 H new ATOM 838 N LYS A 55 -1.662 -6.419 -2.146 1.00 0.00 N ATOM 839 CA LYS A 55 -2.667 -7.526 -2.100 1.00 0.00 C ATOM 840 C LYS A 55 -3.976 -6.891 -1.648 1.00 0.00 C ATOM 841 O LYS A 55 -4.135 -6.540 -0.496 1.00 0.00 O ATOM 842 CB LYS A 55 -2.161 -8.590 -1.100 1.00 0.00 C ATOM 843 CG LYS A 55 -1.375 -9.670 -1.857 1.00 0.00 C ATOM 844 CD LYS A 55 -0.055 -9.946 -1.136 1.00 0.00 C ATOM 845 CE LYS A 55 -0.242 -11.111 -0.160 1.00 0.00 C ATOM 846 NZ LYS A 55 1.003 -11.135 0.657 1.00 0.00 N ATOM 0 H LYS A 55 -1.516 -5.928 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.814 -8.019 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.526 -8.124 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.003 -9.039 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.964 -10.585 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.181 -9.344 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.724 -10.185 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.271 -9.056 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.122 -10.964 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.383 -12.052 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.949 -11.909 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.823 -11.284 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.108 -10.229 1.157 1.00 0.00 H new ATOM 860 N ALA A 56 -4.896 -6.671 -2.550 1.00 0.00 N ATOM 861 CA ALA A 56 -6.140 -5.977 -2.146 1.00 0.00 C ATOM 862 C ALA A 56 -7.342 -6.906 -2.165 1.00 0.00 C ATOM 863 O ALA A 56 -7.621 -7.574 -3.139 1.00 0.00 O ATOM 864 CB ALA A 56 -6.276 -4.862 -3.180 1.00 0.00 C ATOM 0 H ALA A 56 -4.837 -6.939 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.097 -5.605 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.174 -4.280 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.403 -4.211 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.348 -5.297 -4.177 1.00 0.00 H new ATOM 870 N SER A 57 -8.070 -6.930 -1.082 1.00 0.00 N ATOM 871 CA SER A 57 -9.287 -7.800 -1.023 1.00 0.00 C ATOM 872 C SER A 57 -10.508 -6.891 -1.101 1.00 0.00 C ATOM 873 O SER A 57 -10.836 -6.231 -0.151 1.00 0.00 O ATOM 874 CB SER A 57 -9.211 -8.534 0.330 1.00 0.00 C ATOM 875 OG SER A 57 -10.179 -7.989 1.215 1.00 0.00 O ATOM 0 H SER A 57 -7.879 -6.389 -0.238 1.00 0.00 H new ATOM 0 HA SER A 57 -9.350 -8.524 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.390 -9.600 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.213 -8.432 0.757 1.00 0.00 H new ATOM 0 HG SER A 57 -10.184 -7.012 1.133 1.00 0.00 H new ATOM 881 N ILE A 58 -11.151 -6.814 -2.238 1.00 0.00 N ATOM 882 CA ILE A 58 -12.336 -5.878 -2.376 1.00 0.00 C ATOM 883 C ILE A 58 -13.639 -6.673 -2.605 1.00 0.00 C ATOM 884 O ILE A 58 -13.948 -7.148 -3.679 1.00 0.00 O ATOM 885 CB ILE A 58 -11.979 -4.930 -3.576 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.534 -5.501 -4.897 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.459 -4.775 -3.677 1.00 0.00 C ATOM 888 CD1 ILE A 58 -11.816 -4.866 -6.092 1.00 0.00 C ATOM 0 H ILE A 58 -10.919 -7.348 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.517 -5.296 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.432 -3.955 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.402 -6.583 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.605 -5.309 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.215 -4.117 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.075 -4.346 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.004 -5.752 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.217 -5.278 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.970 -3.787 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.749 -5.081 -6.032 1.00 0.00 H new ATOM 900 N ASP A 59 -14.396 -6.795 -1.559 1.00 0.00 N ATOM 901 CA ASP A 59 -15.726 -7.533 -1.602 1.00 0.00 C ATOM 902 C ASP A 59 -15.696 -8.773 -2.502 1.00 0.00 C ATOM 903 O ASP A 59 -16.406 -8.858 -3.485 1.00 0.00 O ATOM 904 CB ASP A 59 -16.772 -6.538 -2.133 1.00 0.00 C ATOM 905 CG ASP A 59 -16.301 -5.091 -1.944 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.498 -4.562 -0.863 1.00 0.00 O ATOM 907 OD2 ASP A 59 -15.750 -4.541 -2.883 1.00 0.00 O ATOM 0 H ASP A 59 -14.161 -6.412 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.963 -7.891 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.957 -6.729 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.718 -6.687 -1.612 1.00 0.00 H new ATOM 912 N GLY A 60 -14.920 -9.754 -2.142 1.00 0.00 N ATOM 913 CA GLY A 60 -14.878 -11.018 -2.926 1.00 0.00 C ATOM 914 C GLY A 60 -14.044 -10.859 -4.191 1.00 0.00 C ATOM 915 O GLY A 60 -13.683 -11.826 -4.830 1.00 0.00 O ATOM 0 H GLY A 60 -14.305 -9.734 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.461 -11.816 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.892 -11.317 -3.192 1.00 0.00 H new ATOM 919 N LEU A 61 -13.761 -9.658 -4.579 1.00 0.00 N ATOM 920 CA LEU A 61 -12.998 -9.436 -5.798 1.00 0.00 C ATOM 921 C LEU A 61 -11.583 -8.958 -5.490 1.00 0.00 C ATOM 922 O LEU A 61 -11.151 -7.916 -5.940 1.00 0.00 O ATOM 923 CB LEU A 61 -13.779 -8.367 -6.438 1.00 0.00 C ATOM 924 CG LEU A 61 -13.737 -8.597 -7.939 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.134 -8.414 -8.530 1.00 0.00 C ATOM 926 CD2 LEU A 61 -12.766 -7.609 -8.589 1.00 0.00 C ATOM 0 H LEU A 61 -14.038 -8.810 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.869 -10.331 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.808 -8.378 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.365 -7.390 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.396 -9.614 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.098 -8.580 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.818 -9.130 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.484 -7.401 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.740 -7.779 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.097 -6.590 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.768 -7.754 -8.175 1.00 0.00 H new ATOM 938 N GLU A 62 -10.856 -9.719 -4.724 1.00 0.00 N ATOM 939 CA GLU A 62 -9.507 -9.378 -4.363 1.00 0.00 C ATOM 940 C GLU A 62 -8.633 -9.262 -5.602 1.00 0.00 C ATOM 941 O GLU A 62 -8.435 -10.207 -6.339 1.00 0.00 O ATOM 942 CB GLU A 62 -9.240 -10.601 -3.500 1.00 0.00 C ATOM 943 CG GLU A 62 -8.172 -11.497 -4.119 1.00 0.00 C ATOM 944 CD GLU A 62 -7.519 -12.357 -3.035 1.00 0.00 C ATOM 945 OE1 GLU A 62 -7.658 -12.015 -1.872 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.891 -13.343 -3.386 1.00 0.00 O ATOM 0 H GLU A 62 -11.183 -10.600 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.321 -8.424 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.921 -10.285 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.163 -11.167 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.618 -12.135 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.417 -10.887 -4.615 1.00 0.00 H new ATOM 953 N VAL A 63 -8.116 -8.097 -5.832 1.00 0.00 N ATOM 954 CA VAL A 63 -7.259 -7.902 -7.022 1.00 0.00 C ATOM 955 C VAL A 63 -5.850 -8.395 -6.784 1.00 0.00 C ATOM 956 O VAL A 63 -5.252 -8.202 -5.745 1.00 0.00 O ATOM 957 CB VAL A 63 -7.211 -6.432 -7.315 1.00 0.00 C ATOM 958 CG1 VAL A 63 -8.634 -5.897 -7.465 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.490 -5.709 -6.177 1.00 0.00 C ATOM 0 H VAL A 63 -8.249 -7.271 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.677 -8.469 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.668 -6.259 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.600 -4.829 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.133 -6.415 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.185 -6.065 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.455 -4.640 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.026 -5.876 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.475 -6.095 -6.087 1.00 0.00 H new ATOM 969 N ASP A 64 -5.360 -9.081 -7.745 1.00 0.00 N ATOM 970 CA ASP A 64 -4.041 -9.687 -7.676 1.00 0.00 C ATOM 971 C ASP A 64 -3.342 -9.548 -9.010 1.00 0.00 C ATOM 972 O ASP A 64 -3.128 -10.502 -9.732 1.00 0.00 O ATOM 973 CB ASP A 64 -4.503 -11.065 -7.514 1.00 0.00 C ATOM 974 CG ASP A 64 -3.411 -11.957 -6.919 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.294 -11.484 -6.788 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.710 -13.097 -6.605 1.00 0.00 O ATOM 0 H ASP A 64 -5.851 -9.253 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.349 -9.293 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.380 -11.082 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.812 -11.462 -8.481 1.00 0.00 H new ATOM 981 N VAL A 65 -3.029 -8.364 -9.339 1.00 0.00 N ATOM 982 CA VAL A 65 -2.370 -8.096 -10.656 1.00 0.00 C ATOM 983 C VAL A 65 -1.464 -6.870 -10.575 1.00 0.00 C ATOM 984 O VAL A 65 -1.411 -6.196 -9.567 1.00 0.00 O ATOM 985 CB VAL A 65 -3.511 -7.835 -11.659 1.00 0.00 C ATOM 986 CG1 VAL A 65 -3.628 -9.017 -12.624 1.00 0.00 C ATOM 987 CG2 VAL A 65 -4.856 -7.642 -10.941 1.00 0.00 C ATOM 0 H VAL A 65 -3.193 -7.539 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.747 -8.938 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.274 -6.921 -12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.435 -8.830 -13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.690 -9.138 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.842 -9.926 -12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.639 -7.460 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.096 -8.539 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.789 -6.790 -10.265 1.00 0.00 H new ATOM 997 N PRO A 66 -0.788 -6.623 -11.663 1.00 0.00 N ATOM 998 CA PRO A 66 0.126 -5.462 -11.752 1.00 0.00 C ATOM 999 C PRO A 66 -0.628 -4.165 -11.683 1.00 0.00 C ATOM 1000 O PRO A 66 -1.702 -3.979 -12.220 1.00 0.00 O ATOM 1001 CB PRO A 66 0.827 -5.638 -13.089 1.00 0.00 C ATOM 1002 CG PRO A 66 -0.104 -6.489 -13.892 1.00 0.00 C ATOM 1003 CD PRO A 66 -0.809 -7.392 -12.911 1.00 0.00 C ATOM 0 HA PRO A 66 0.832 -5.423 -10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.004 -4.678 -13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.798 -6.118 -12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.820 -5.874 -14.437 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.444 -7.072 -14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.828 -7.613 -13.229 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.295 -8.347 -12.803 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.027 -3.290 -10.981 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.619 -1.927 -10.758 1.00 0.00 C ATOM 1013 C GLY A 67 0.442 -0.820 -10.954 1.00 0.00 C ATOM 1014 O GLY A 67 0.414 -0.110 -11.939 1.00 0.00 O ATOM 0 H GLY A 67 0.875 -3.440 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.446 -1.769 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.030 -1.866 -9.750 1.00 0.00 H new ATOM 1018 N ILE A 68 1.378 -0.651 -10.040 1.00 0.00 N ATOM 1019 CA ILE A 68 2.403 0.423 -10.219 1.00 0.00 C ATOM 1020 C ILE A 68 3.787 -0.228 -10.325 1.00 0.00 C ATOM 1021 O ILE A 68 3.902 -1.403 -10.608 1.00 0.00 O ATOM 1022 CB ILE A 68 2.287 1.277 -8.945 1.00 0.00 C ATOM 1023 CG1 ILE A 68 2.702 2.693 -9.256 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.173 0.711 -7.828 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.495 3.465 -9.782 1.00 0.00 C ATOM 0 H ILE A 68 1.471 -1.206 -9.189 1.00 0.00 H new ATOM 0 HA ILE A 68 2.258 1.023 -11.117 1.00 0.00 H new ATOM 0 HB ILE A 68 1.252 1.260 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.095 3.175 -8.361 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.502 2.696 -9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.075 1.331 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.862 -0.308 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.213 0.707 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.789 4.490 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.123 2.986 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.710 3.472 -9.026 1.00 0.00 H new ATOM 1037 N ASP A 69 4.829 0.496 -10.048 1.00 0.00 N ATOM 1038 CA ASP A 69 6.179 -0.142 -10.084 1.00 0.00 C ATOM 1039 C ASP A 69 6.620 -0.300 -8.657 1.00 0.00 C ATOM 1040 O ASP A 69 6.293 0.489 -7.793 1.00 0.00 O ATOM 1041 CB ASP A 69 7.131 0.753 -10.850 1.00 0.00 C ATOM 1042 CG ASP A 69 8.574 0.409 -10.469 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.040 0.918 -9.464 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.188 -0.361 -11.191 1.00 0.00 O ATOM 0 H ASP A 69 4.813 1.486 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 69 6.160 -1.112 -10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.986 0.623 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.924 1.799 -10.625 1.00 0.00 H new ATOM 1049 N PRO A 70 7.246 -1.393 -8.456 1.00 0.00 N ATOM 1050 CA PRO A 70 7.652 -1.841 -7.147 1.00 0.00 C ATOM 1051 C PRO A 70 9.141 -1.705 -6.873 1.00 0.00 C ATOM 1052 O PRO A 70 9.596 -1.971 -5.785 1.00 0.00 O ATOM 1053 CB PRO A 70 7.237 -3.295 -7.249 1.00 0.00 C ATOM 1054 CG PRO A 70 7.127 -3.576 -8.758 1.00 0.00 C ATOM 1055 CD PRO A 70 7.664 -2.380 -9.422 1.00 0.00 C ATOM 0 HA PRO A 70 7.216 -1.266 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.972 -3.949 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.286 -3.470 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.694 -4.465 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.092 -3.755 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.746 -2.416 -9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.233 -2.215 -10.409 1.00 0.00 H new ATOM 1063 N ASN A 71 9.905 -1.288 -7.821 1.00 0.00 N ATOM 1064 CA ASN A 71 11.355 -1.148 -7.571 1.00 0.00 C ATOM 1065 C ASN A 71 11.692 0.337 -7.557 1.00 0.00 C ATOM 1066 O ASN A 71 12.041 0.912 -8.564 1.00 0.00 O ATOM 1067 CB ASN A 71 12.051 -1.859 -8.729 1.00 0.00 C ATOM 1068 CG ASN A 71 11.194 -3.020 -9.250 1.00 0.00 C ATOM 1069 OD1 ASN A 71 10.675 -3.872 -8.404 1.00 0.00 O flip ATOM 1070 ND2 ASN A 71 10.994 -3.154 -10.441 1.00 0.00 N flip ATOM 0 H ASN A 71 9.594 -1.037 -8.759 1.00 0.00 H new ATOM 0 HA ASN A 71 11.670 -1.577 -6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.240 -1.151 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.020 -2.235 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.397 -2.491 -11.104 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.423 -3.929 -10.778 1.00 0.00 H new ATOM 1077 N ALA A 72 11.579 0.967 -6.425 1.00 0.00 N ATOM 1078 CA ALA A 72 11.877 2.419 -6.350 1.00 0.00 C ATOM 1079 C ALA A 72 13.386 2.639 -6.408 1.00 0.00 C ATOM 1080 O ALA A 72 13.859 3.741 -6.208 1.00 0.00 O ATOM 1081 CB ALA A 72 11.331 2.874 -4.996 1.00 0.00 C ATOM 0 H ALA A 72 11.292 0.537 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 72 11.431 2.974 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.515 3.941 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.259 2.684 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.829 2.322 -4.199 1.00 0.00 H new ATOM 1087 N CYS A 73 14.168 1.614 -6.678 1.00 0.00 N ATOM 1088 CA CYS A 73 15.610 1.822 -6.732 1.00 0.00 C ATOM 1089 C CYS A 73 15.947 2.468 -8.062 1.00 0.00 C ATOM 1090 O CYS A 73 16.935 3.162 -8.202 1.00 0.00 O ATOM 1091 CB CYS A 73 16.154 0.437 -6.582 1.00 0.00 C ATOM 1092 SG CYS A 73 17.426 0.410 -5.287 1.00 0.00 S ATOM 0 H CYS A 73 13.851 0.661 -6.858 1.00 0.00 H new ATOM 0 HA CYS A 73 16.025 2.483 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.350 -0.254 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.578 0.099 -7.528 1.00 0.00 H new ATOM 1097 N HIS A 74 15.058 2.345 -9.008 1.00 0.00 N ATOM 1098 CA HIS A 74 15.247 3.055 -10.271 1.00 0.00 C ATOM 1099 C HIS A 74 14.598 4.430 -10.096 1.00 0.00 C ATOM 1100 O HIS A 74 14.280 5.121 -11.043 1.00 0.00 O ATOM 1101 CB HIS A 74 14.587 2.279 -11.408 1.00 0.00 C ATOM 1102 CG HIS A 74 14.467 0.833 -11.060 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.436 0.218 -10.319 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.541 -0.132 -11.361 1.00 0.00 C ATOM 1105 CE1 HIS A 74 15.095 -1.076 -10.188 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.941 -1.345 -10.807 1.00 0.00 N ATOM 0 H HIS A 74 14.212 1.779 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 74 16.303 3.158 -10.522 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.599 2.692 -11.611 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.173 2.391 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.641 0.024 -11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.680 -1.807 -9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.459 -2.242 -10.861 1.00 0.00 H new ATOM 1114 N TYR A 75 14.413 4.821 -8.850 1.00 0.00 N ATOM 1115 CA TYR A 75 13.813 6.107 -8.520 1.00 0.00 C ATOM 1116 C TYR A 75 14.655 6.814 -7.448 1.00 0.00 C ATOM 1117 O TYR A 75 14.448 7.979 -7.169 1.00 0.00 O ATOM 1118 CB TYR A 75 12.380 5.857 -8.033 1.00 0.00 C ATOM 1119 CG TYR A 75 11.611 4.914 -8.976 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.070 3.608 -9.273 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.423 5.367 -9.577 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.344 2.792 -10.160 1.00 0.00 C ATOM 1123 CE2 TYR A 75 9.706 4.542 -10.450 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.167 3.263 -10.743 1.00 0.00 C ATOM 1125 OH TYR A 75 9.464 2.467 -11.622 1.00 0.00 O ATOM 0 H TYR A 75 14.672 4.261 -8.038 1.00 0.00 H new ATOM 0 HA TYR A 75 13.784 6.756 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.406 5.427 -7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.851 6.807 -7.958 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.977 3.238 -8.819 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.061 6.362 -9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.699 1.798 -10.390 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.791 4.900 -10.898 1.00 0.00 H new ATOM 0 HH TYR A 75 8.669 2.947 -11.934 1.00 0.00 H new ATOM 1135 N MET A 76 15.632 6.144 -6.860 1.00 0.00 N ATOM 1136 CA MET A 76 16.468 6.818 -5.865 1.00 0.00 C ATOM 1137 C MET A 76 17.704 6.017 -5.508 1.00 0.00 C ATOM 1138 O MET A 76 17.680 4.839 -5.213 1.00 0.00 O ATOM 1139 CB MET A 76 15.607 7.101 -4.660 1.00 0.00 C ATOM 1140 CG MET A 76 15.480 5.846 -3.940 1.00 0.00 C ATOM 1141 SD MET A 76 13.840 5.694 -3.187 1.00 0.00 S ATOM 1142 CE MET A 76 13.901 3.920 -2.841 1.00 0.00 C ATOM 0 H MET A 76 15.866 5.168 -7.041 1.00 0.00 H new ATOM 0 HA MET A 76 16.849 7.752 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 76 16.061 7.866 -4.030 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.629 7.476 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.650 5.013 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.246 5.787 -3.167 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.903 3.565 -2.585 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.260 3.389 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.577 3.735 -2.006 1.00 0.00 H new ATOM 1152 N LYS A 77 18.772 6.723 -5.583 1.00 0.00 N ATOM 1153 CA LYS A 77 20.131 6.214 -5.316 1.00 0.00 C ATOM 1154 C LYS A 77 20.157 4.830 -4.730 1.00 0.00 C ATOM 1155 O LYS A 77 20.088 4.590 -3.543 1.00 0.00 O ATOM 1156 CB LYS A 77 20.803 7.235 -4.401 1.00 0.00 C ATOM 1157 CG LYS A 77 19.839 7.644 -3.287 1.00 0.00 C ATOM 1158 CD LYS A 77 20.312 7.049 -1.968 1.00 0.00 C ATOM 1159 CE LYS A 77 20.759 8.175 -1.032 1.00 0.00 C ATOM 1160 NZ LYS A 77 22.087 7.742 -0.515 1.00 0.00 N ATOM 0 H LYS A 77 18.759 7.710 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 77 20.671 6.106 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.711 6.811 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 77 21.102 8.111 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.791 8.730 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.832 7.296 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.508 6.475 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.137 6.358 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.833 9.124 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.047 8.319 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.732 8.558 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.977 7.356 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.481 7.010 -1.140 1.00 0.00 H new ATOM 1174 N CYS A 78 20.308 3.949 -5.634 1.00 0.00 N ATOM 1175 CA CYS A 78 20.415 2.511 -5.366 1.00 0.00 C ATOM 1176 C CYS A 78 21.906 2.131 -5.385 1.00 0.00 C ATOM 1177 O CYS A 78 22.639 2.647 -6.206 1.00 0.00 O ATOM 1178 CB CYS A 78 19.692 1.954 -6.553 1.00 0.00 C ATOM 1179 SG CYS A 78 19.188 0.245 -6.265 1.00 0.00 S ATOM 0 H CYS A 78 20.367 4.180 -6.626 1.00 0.00 H new ATOM 0 HA CYS A 78 20.017 2.162 -4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 78 18.814 2.564 -6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.336 2.003 -7.431 1.00 0.00 H new ATOM 1184 N PRO A 79 22.338 1.272 -4.496 1.00 0.00 N ATOM 1185 CA PRO A 79 21.454 0.637 -3.493 1.00 0.00 C ATOM 1186 C PRO A 79 21.132 1.551 -2.310 1.00 0.00 C ATOM 1187 O PRO A 79 21.681 2.621 -2.137 1.00 0.00 O ATOM 1188 CB PRO A 79 22.268 -0.555 -3.000 1.00 0.00 C ATOM 1189 CG PRO A 79 23.673 -0.243 -3.285 1.00 0.00 C ATOM 1190 CD PRO A 79 23.723 0.818 -4.355 1.00 0.00 C ATOM 0 HA PRO A 79 20.490 0.380 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.114 -0.715 -1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.963 -1.470 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.173 0.107 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.200 -1.138 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.381 1.638 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.105 0.416 -5.293 1.00 0.00 H new ATOM 1198 N LEU A 80 20.221 1.088 -1.511 1.00 0.00 N ATOM 1199 CA LEU A 80 19.762 1.821 -0.305 1.00 0.00 C ATOM 1200 C LEU A 80 20.445 1.280 0.965 1.00 0.00 C ATOM 1201 O LEU A 80 20.486 0.082 1.222 1.00 0.00 O ATOM 1202 CB LEU A 80 18.255 1.552 -0.295 1.00 0.00 C ATOM 1203 CG LEU A 80 17.579 2.400 -1.376 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.541 2.725 -2.538 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.384 1.634 -1.935 1.00 0.00 C ATOM 0 H LEU A 80 19.755 0.191 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 80 20.003 2.884 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.062 0.494 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.838 1.791 0.683 1.00 0.00 H new ATOM 0 HG LEU A 80 17.267 3.338 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.021 3.328 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.398 3.279 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.884 1.798 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.897 2.231 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.725 0.693 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.675 1.430 -1.133 1.00 0.00 H new ATOM 1217 N VAL A 81 20.999 2.185 1.737 1.00 0.00 N ATOM 1218 CA VAL A 81 21.704 1.827 2.977 1.00 0.00 C ATOM 1219 C VAL A 81 20.891 2.160 4.220 1.00 0.00 C ATOM 1220 O VAL A 81 20.180 3.136 4.328 1.00 0.00 O ATOM 1221 CB VAL A 81 23.019 2.585 2.967 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.059 1.796 3.765 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.518 2.774 1.528 1.00 0.00 C ATOM 0 H VAL A 81 20.983 3.185 1.539 1.00 0.00 H new ATOM 0 HA VAL A 81 21.869 0.750 3.014 1.00 0.00 H new ATOM 0 HB VAL A 81 22.867 3.566 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 81 25.006 2.335 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.714 1.675 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.199 0.815 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.462 3.319 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.667 1.799 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.780 3.338 0.958 1.00 0.00 H new ATOM 1233 N LYS A 82 20.970 1.240 5.096 1.00 0.00 N ATOM 1234 CA LYS A 82 20.219 1.216 6.387 1.00 0.00 C ATOM 1235 C LYS A 82 20.166 2.513 7.161 1.00 0.00 C ATOM 1236 O LYS A 82 21.140 3.069 7.625 1.00 0.00 O ATOM 1237 CB LYS A 82 20.874 0.113 7.186 1.00 0.00 C ATOM 1238 CG LYS A 82 20.052 -0.290 8.396 1.00 0.00 C ATOM 1239 CD LYS A 82 20.496 0.417 9.562 1.00 0.00 C ATOM 1240 CE LYS A 82 21.679 -0.348 10.010 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.260 0.405 11.157 1.00 0.00 N ATOM 0 H LYS A 82 21.572 0.426 4.975 1.00 0.00 H new ATOM 0 HA LYS A 82 19.162 1.047 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.024 -0.756 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.861 0.441 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.998 -0.078 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.138 -1.364 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.753 1.451 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.724 0.446 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.397 -1.357 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.405 -0.447 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.100 -0.095 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.531 1.359 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.555 0.477 11.918 1.00 0.00 H new ATOM 1255 N GLY A 83 18.956 2.940 7.296 1.00 0.00 N ATOM 1256 CA GLY A 83 18.600 4.163 8.034 1.00 0.00 C ATOM 1257 C GLY A 83 17.978 5.122 7.065 1.00 0.00 C ATOM 1258 O GLY A 83 17.295 6.062 7.423 1.00 0.00 O ATOM 0 H GLY A 83 18.150 2.457 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.905 3.932 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.486 4.604 8.492 1.00 0.00 H new ATOM 1262 N GLN A 84 18.213 4.874 5.833 1.00 0.00 N ATOM 1263 CA GLN A 84 17.650 5.738 4.806 1.00 0.00 C ATOM 1264 C GLN A 84 16.180 5.544 4.674 1.00 0.00 C ATOM 1265 O GLN A 84 15.667 4.457 4.466 1.00 0.00 O ATOM 1266 CB GLN A 84 18.347 5.502 3.498 1.00 0.00 C ATOM 1267 CG GLN A 84 19.797 5.950 3.616 1.00 0.00 C ATOM 1268 CD GLN A 84 20.345 6.347 2.226 1.00 0.00 C ATOM 1269 OE1 GLN A 84 21.435 6.878 2.138 1.00 0.00 O ATOM 1270 NE2 GLN A 84 19.651 6.120 1.122 1.00 0.00 N ATOM 0 H GLN A 84 18.779 4.098 5.490 1.00 0.00 H new ATOM 0 HA GLN A 84 17.810 6.774 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.301 4.446 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.847 6.053 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.870 6.796 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.401 5.147 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.735 5.675 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.032 6.390 0.215 1.00 0.00 H new ATOM 1279 N GLN A 85 15.517 6.619 4.791 1.00 0.00 N ATOM 1280 CA GLN A 85 14.034 6.592 4.658 1.00 0.00 C ATOM 1281 C GLN A 85 13.716 6.159 3.246 1.00 0.00 C ATOM 1282 O GLN A 85 14.394 6.506 2.301 1.00 0.00 O ATOM 1283 CB GLN A 85 13.510 8.020 4.951 1.00 0.00 C ATOM 1284 CG GLN A 85 13.461 8.858 3.661 1.00 0.00 C ATOM 1285 CD GLN A 85 13.541 10.358 4.012 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.456 10.767 5.266 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 13.683 11.179 3.128 1.00 0.00 N flip ATOM 0 H GLN A 85 15.921 7.537 4.975 1.00 0.00 H new ATOM 0 HA GLN A 85 13.560 5.899 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.515 7.964 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.156 8.507 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.288 8.583 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.540 8.651 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.750 10.876 2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.735 12.171 3.357 1.00 0.00 H new ATOM 1296 N TYR A 86 12.695 5.400 3.109 1.00 0.00 N ATOM 1297 CA TYR A 86 12.300 4.908 1.787 1.00 0.00 C ATOM 1298 C TYR A 86 10.797 4.910 1.743 1.00 0.00 C ATOM 1299 O TYR A 86 10.125 4.382 2.608 1.00 0.00 O ATOM 1300 CB TYR A 86 12.862 3.495 1.693 1.00 0.00 C ATOM 1301 CG TYR A 86 14.363 3.614 1.576 1.00 0.00 C ATOM 1302 CD1 TYR A 86 14.906 4.575 0.714 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.217 2.794 2.323 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.274 4.720 0.597 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.593 2.942 2.200 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.127 3.901 1.337 1.00 0.00 C ATOM 1307 OH TYR A 86 18.494 4.035 1.218 1.00 0.00 O ATOM 0 H TYR A 86 12.100 5.090 3.877 1.00 0.00 H new ATOM 0 HA TYR A 86 12.669 5.511 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.590 2.914 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.450 2.974 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.249 5.208 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.808 2.050 2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.683 5.467 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.254 2.311 2.776 1.00 0.00 H new ATOM 0 HH TYR A 86 18.938 3.421 1.839 1.00 0.00 H new ATOM 1317 N ASP A 87 10.272 5.542 0.766 1.00 0.00 N ATOM 1318 CA ASP A 87 8.803 5.634 0.669 1.00 0.00 C ATOM 1319 C ASP A 87 8.322 4.951 -0.589 1.00 0.00 C ATOM 1320 O ASP A 87 8.824 5.146 -1.678 1.00 0.00 O ATOM 1321 CB ASP A 87 8.462 7.136 0.648 1.00 0.00 C ATOM 1322 CG ASP A 87 9.347 7.847 -0.378 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.130 7.172 -1.026 1.00 0.00 O ATOM 1324 OD2 ASP A 87 9.226 9.054 -0.498 1.00 0.00 O ATOM 0 H ASP A 87 10.791 6.005 0.020 1.00 0.00 H new ATOM 0 HA ASP A 87 8.313 5.139 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.411 7.277 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.615 7.568 1.637 1.00 0.00 H new ATOM 1329 N ILE A 88 7.330 4.153 -0.412 1.00 0.00 N ATOM 1330 CA ILE A 88 6.734 3.415 -1.544 1.00 0.00 C ATOM 1331 C ILE A 88 5.449 4.118 -1.942 1.00 0.00 C ATOM 1332 O ILE A 88 4.878 4.886 -1.190 1.00 0.00 O ATOM 1333 CB ILE A 88 6.474 1.990 -1.043 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.445 1.043 -2.229 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.166 1.938 -0.239 1.00 0.00 C ATOM 1336 CD1 ILE A 88 5.557 -0.174 -1.962 1.00 0.00 C ATOM 0 H ILE A 88 6.892 3.973 0.492 1.00 0.00 H new ATOM 0 HA ILE A 88 7.380 3.380 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 88 7.276 1.679 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.080 1.573 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.459 0.711 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.994 0.920 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.238 2.608 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.336 2.249 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.563 -0.827 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.937 -0.719 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.537 0.156 -1.763 1.00 0.00 H new ATOM 1348 N LYS A 89 5.018 3.886 -3.131 1.00 0.00 N ATOM 1349 CA LYS A 89 3.791 4.567 -3.618 1.00 0.00 C ATOM 1350 C LYS A 89 3.021 3.708 -4.613 1.00 0.00 C ATOM 1351 O LYS A 89 3.587 2.916 -5.341 1.00 0.00 O ATOM 1352 CB LYS A 89 4.314 5.820 -4.310 1.00 0.00 C ATOM 1353 CG LYS A 89 3.132 6.694 -4.711 1.00 0.00 C ATOM 1354 CD LYS A 89 3.433 7.394 -6.039 1.00 0.00 C ATOM 1355 CE LYS A 89 3.749 8.868 -5.781 1.00 0.00 C ATOM 1356 NZ LYS A 89 5.155 8.879 -5.291 1.00 0.00 N ATOM 0 H LYS A 89 5.458 3.252 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 89 3.097 4.776 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.979 6.369 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.897 5.549 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.233 6.085 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.935 7.434 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.276 6.912 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.578 7.307 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.643 9.460 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.070 9.294 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.474 9.862 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.208 8.385 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.767 8.398 -5.981 1.00 0.00 H new ATOM 1370 N TYR A 90 1.729 3.884 -4.670 1.00 0.00 N ATOM 1371 CA TYR A 90 0.921 3.102 -5.646 1.00 0.00 C ATOM 1372 C TYR A 90 -0.277 3.922 -6.121 1.00 0.00 C ATOM 1373 O TYR A 90 -1.250 4.074 -5.386 1.00 0.00 O ATOM 1374 CB TYR A 90 0.424 1.865 -4.917 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.442 1.084 -5.896 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.811 1.382 -6.054 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.139 0.085 -6.688 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.575 0.674 -6.993 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.628 -0.613 -7.623 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.983 -0.321 -7.775 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.738 -1.013 -8.701 1.00 0.00 O ATOM 0 H TYR A 90 1.201 4.532 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 90 1.522 2.840 -6.517 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.262 1.257 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.150 2.144 -4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.270 2.153 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.188 -0.147 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.625 0.899 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.171 -1.381 -8.230 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.743 -0.524 -9.550 1.00 0.00 H new ATOM 1391 N THR A 91 -0.231 4.451 -7.310 1.00 0.00 N ATOM 1392 CA THR A 91 -1.380 5.250 -7.834 1.00 0.00 C ATOM 1393 C THR A 91 -1.856 4.583 -9.110 1.00 0.00 C ATOM 1394 O THR A 91 -1.146 4.493 -10.093 1.00 0.00 O ATOM 1395 CB THR A 91 -0.817 6.654 -8.106 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.739 7.380 -8.909 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.513 6.531 -8.846 1.00 0.00 C ATOM 0 H THR A 91 0.559 4.365 -7.950 1.00 0.00 H new ATOM 0 HA THR A 91 -2.224 5.313 -7.148 1.00 0.00 H new ATOM 0 HB THR A 91 -0.662 7.177 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.385 8.277 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.915 7.526 -9.040 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.218 5.968 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.357 6.012 -9.792 1.00 0.00 H new ATOM 1405 N TRP A 92 -3.039 4.065 -9.074 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.568 3.334 -10.253 1.00 0.00 C ATOM 1407 C TRP A 92 -5.067 3.617 -10.437 1.00 0.00 C ATOM 1408 O TRP A 92 -5.853 3.239 -9.592 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.371 1.894 -9.848 1.00 0.00 C ATOM 1410 CG TRP A 92 -3.070 1.073 -11.054 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.860 0.998 -11.651 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.958 0.210 -11.816 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.958 0.165 -12.756 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -3.232 -0.350 -12.894 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -5.312 -0.128 -11.680 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.834 -1.218 -13.806 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.923 -1.003 -12.594 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -5.184 -1.547 -13.657 1.00 0.00 C ATOM 0 H TRP A 92 -3.671 4.114 -8.275 1.00 0.00 H new ATOM 0 HA TRP A 92 -3.083 3.610 -11.189 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.555 1.816 -9.130 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.267 1.519 -9.354 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.964 1.503 -11.322 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.185 -0.042 -13.388 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.889 0.287 -10.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.260 -1.633 -14.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.966 -1.258 -12.478 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.658 -2.218 -14.358 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.513 4.278 -11.487 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.973 4.529 -11.579 1.00 0.00 C ATOM 1431 C ASN A 93 -7.703 3.223 -11.980 1.00 0.00 C ATOM 1432 O ASN A 93 -7.105 2.309 -12.511 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.104 5.583 -12.679 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.626 4.990 -14.009 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -5.537 4.458 -14.090 1.00 0.00 O ATOM 1436 ND2 ASN A 93 -7.396 5.056 -15.066 1.00 0.00 N ATOM 0 H ASN A 93 -4.944 4.639 -12.253 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.411 4.861 -10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.141 5.909 -12.765 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.513 6.464 -12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.081 4.662 -15.952 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.311 5.502 -15.003 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.981 3.128 -11.711 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.763 1.900 -12.039 1.00 0.00 C ATOM 1445 C VAL A 94 -11.252 2.292 -12.188 1.00 0.00 C ATOM 1446 O VAL A 94 -11.651 3.424 -11.833 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.498 0.942 -10.852 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.781 0.618 -10.071 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.900 -0.364 -11.381 1.00 0.00 C ATOM 0 H VAL A 94 -9.526 3.868 -11.268 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.482 1.419 -12.976 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.807 1.442 -10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.545 -0.057 -9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.208 1.539 -9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.501 0.142 -10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.712 -1.042 -10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.599 -0.829 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.963 -0.153 -11.896 1.00 0.00 H new ATOM 1459 N PRO A 95 -12.049 1.361 -12.696 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.465 1.632 -12.944 1.00 0.00 C ATOM 1461 C PRO A 95 -14.036 2.516 -11.874 1.00 0.00 C ATOM 1462 O PRO A 95 -13.488 2.654 -10.797 1.00 0.00 O ATOM 1463 CB PRO A 95 -14.076 0.234 -13.055 1.00 0.00 C ATOM 1464 CG PRO A 95 -13.041 -0.638 -12.448 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.784 -0.037 -12.995 1.00 0.00 C ATOM 0 HA PRO A 95 -13.675 2.202 -13.849 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.024 0.165 -12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.274 -0.038 -14.092 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.069 -0.610 -11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.159 -1.681 -12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.888 -0.411 -12.499 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.658 -0.223 -14.062 1.00 0.00 H new ATOM 1473 N LYS A 96 -15.059 3.226 -12.191 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.513 4.192 -11.215 1.00 0.00 C ATOM 1475 C LYS A 96 -16.333 3.610 -10.070 1.00 0.00 C ATOM 1476 O LYS A 96 -16.411 4.165 -8.991 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.244 5.177 -11.978 1.00 0.00 C ATOM 1478 CG LYS A 96 -15.144 6.009 -12.578 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.395 5.200 -13.620 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.793 6.132 -14.671 1.00 0.00 C ATOM 1481 NZ LYS A 96 -12.320 5.984 -14.512 1.00 0.00 N ATOM 0 H LYS A 96 -15.584 3.176 -13.064 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.661 4.621 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.867 4.716 -12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.904 5.772 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.562 6.907 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.458 6.338 -11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.606 4.618 -13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.071 4.490 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.112 5.854 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.106 7.164 -14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.834 6.594 -15.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.045 6.262 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.051 4.993 -14.677 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.957 2.507 -10.312 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.801 1.869 -9.272 1.00 0.00 C ATOM 1497 C ILE A 97 -17.759 0.331 -9.360 1.00 0.00 C ATOM 1498 O ILE A 97 -18.771 -0.340 -9.326 1.00 0.00 O ATOM 1499 CB ILE A 97 -19.164 2.436 -9.513 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.670 2.737 -8.167 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -20.096 1.521 -10.323 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -21.195 2.668 -8.073 1.00 0.00 C ATOM 0 H ILE A 97 -16.921 2.007 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.454 2.077 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 97 -19.118 3.322 -10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.235 2.034 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.338 3.733 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -21.063 2.008 -10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.655 1.326 -11.301 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.232 0.579 -9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.508 2.900 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.635 3.390 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.531 1.665 -8.336 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.583 -0.236 -9.476 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.472 -1.719 -9.578 1.00 0.00 C ATOM 1516 C ALA A 98 -16.679 -2.388 -8.215 1.00 0.00 C ATOM 1517 O ALA A 98 -17.574 -3.189 -8.057 1.00 0.00 O ATOM 1518 CB ALA A 98 -15.057 -1.992 -10.098 1.00 0.00 C ATOM 0 H ALA A 98 -15.696 0.267 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.236 -2.126 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.907 -3.067 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.929 -1.517 -11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.327 -1.587 -9.397 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.831 -2.047 -7.279 1.00 0.00 N ATOM 1525 CA PRO A 99 -15.912 -2.642 -5.918 1.00 0.00 C ATOM 1526 C PRO A 99 -17.162 -2.267 -5.250 1.00 0.00 C ATOM 1527 O PRO A 99 -17.927 -1.429 -5.685 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.643 -2.155 -5.221 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.283 -0.899 -5.952 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.730 -1.082 -7.382 1.00 0.00 C ATOM 0 HA PRO A 99 -15.948 -3.731 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.818 -1.964 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.845 -2.895 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.773 -0.036 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.209 -0.718 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.061 -0.141 -7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.923 -1.460 -8.009 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.468 -3.072 -4.295 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.774 -2.975 -3.706 1.00 0.00 C ATOM 1540 C LYS A 100 -18.683 -2.422 -2.296 1.00 0.00 C ATOM 1541 O LYS A 100 -18.267 -3.123 -1.402 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.288 -4.423 -3.714 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.565 -5.272 -4.753 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.530 -4.493 -6.059 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.583 -5.095 -6.942 1.00 0.00 C ATOM 1546 NZ LYS A 100 -18.988 -5.148 -8.304 1.00 0.00 N ATOM 0 H LYS A 100 -16.857 -3.790 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.439 -2.299 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.152 -4.863 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.358 -4.428 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.553 -5.501 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.078 -6.224 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.728 -3.435 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.547 -4.561 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.860 -6.091 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.491 -4.492 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.724 -5.398 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.588 -4.219 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.235 -5.865 -8.326 1.00 0.00 H new ATOM 1560 N SER A 101 -19.046 -1.186 -2.072 1.00 0.00 N ATOM 1561 CA SER A 101 -18.937 -0.665 -0.660 1.00 0.00 C ATOM 1562 C SER A 101 -19.517 -1.675 0.290 1.00 0.00 C ATOM 1563 O SER A 101 -20.701 -1.745 0.554 1.00 0.00 O ATOM 1564 CB SER A 101 -19.663 0.675 -0.581 1.00 0.00 C ATOM 1565 OG SER A 101 -20.882 0.605 -1.309 1.00 0.00 O ATOM 0 H SER A 101 -19.401 -0.531 -2.769 1.00 0.00 H new ATOM 0 HA SER A 101 -17.895 -0.510 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.864 0.929 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.032 1.466 -0.986 1.00 0.00 H new ATOM 0 HG SER A 101 -21.380 -0.194 -1.037 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.630 -2.455 0.796 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.004 -3.527 1.769 1.00 0.00 C ATOM 1573 C GLU A 102 -17.849 -4.040 2.485 1.00 0.00 C ATOM 1574 O GLU A 102 -17.903 -4.424 3.637 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.355 -4.831 1.022 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.551 -4.619 0.091 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.687 -5.815 -0.855 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.753 -6.595 -0.932 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.726 -5.930 -1.486 1.00 0.00 O ATOM 0 H GLU A 102 -17.634 -2.406 0.581 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.782 -3.069 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.494 -5.168 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.583 -5.617 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.463 -4.500 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.419 -3.702 -0.483 1.00 0.00 H new ATOM 1586 N ASN A 103 -16.912 -4.390 1.673 1.00 0.00 N ATOM 1587 CA ASN A 103 -15.928 -5.258 2.227 1.00 0.00 C ATOM 1588 C ASN A 103 -14.626 -5.291 1.458 1.00 0.00 C ATOM 1589 O ASN A 103 -14.347 -6.208 0.719 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.792 -6.478 1.996 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.024 -7.761 2.312 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -14.867 -7.696 2.931 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.478 -8.842 1.995 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.804 -4.116 0.696 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.546 -5.050 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.683 -6.420 2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.130 -6.498 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.376 -8.897 1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -15.961 -9.695 2.210 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.822 -4.320 1.660 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.503 -4.294 0.961 1.00 0.00 C ATOM 1602 C VAL A 104 -11.396 -3.736 1.879 1.00 0.00 C ATOM 1603 O VAL A 104 -11.648 -2.979 2.795 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.679 -3.423 -0.277 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.418 -3.448 -1.136 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -13.923 -3.803 -1.112 1.00 0.00 C ATOM 0 H VAL A 104 -14.004 -3.530 2.279 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.193 -5.302 0.685 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.846 -2.406 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.564 -2.820 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.575 -3.071 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.213 -4.471 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.993 -3.147 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.836 -4.837 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.819 -3.693 -0.501 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.170 -4.130 1.637 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.016 -3.666 2.460 1.00 0.00 C ATOM 1618 C VAL A 105 -7.727 -4.048 1.735 1.00 0.00 C ATOM 1619 O VAL A 105 -7.573 -5.144 1.240 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.172 -4.381 3.814 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.151 -5.515 3.964 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -8.968 -3.359 4.934 1.00 0.00 C ATOM 0 H VAL A 105 -9.918 -4.770 0.884 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.983 -2.587 2.614 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.170 -4.816 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.286 -6.001 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.298 -6.244 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.142 -5.107 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.076 -3.852 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.970 -2.928 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.713 -2.568 4.845 1.00 0.00 H new ATOM 1632 N VAL A 106 -6.813 -3.131 1.667 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.533 -3.412 0.959 1.00 0.00 C ATOM 1634 C VAL A 106 -4.399 -3.634 1.923 1.00 0.00 C ATOM 1635 O VAL A 106 -4.278 -2.991 2.940 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.291 -2.210 0.050 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.341 -1.192 0.703 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -4.687 -2.731 -1.254 1.00 0.00 C ATOM 0 H VAL A 106 -6.892 -2.197 2.070 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.592 -4.334 0.380 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.234 -1.695 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.191 -0.349 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.776 -0.836 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.382 -1.668 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.501 -1.895 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.748 -3.242 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.381 -3.428 -1.723 1.00 0.00 H new ATOM 1648 N THR A 107 -3.561 -4.535 1.565 1.00 0.00 N ATOM 1649 CA THR A 107 -2.371 -4.862 2.392 1.00 0.00 C ATOM 1650 C THR A 107 -1.181 -4.893 1.458 1.00 0.00 C ATOM 1651 O THR A 107 -1.075 -5.782 0.629 1.00 0.00 O ATOM 1652 CB THR A 107 -2.638 -6.225 2.945 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.039 -6.434 3.066 1.00 0.00 O ATOM 1654 CG2 THR A 107 -1.963 -6.319 4.311 1.00 0.00 C ATOM 0 H THR A 107 -3.643 -5.083 0.708 1.00 0.00 H new ATOM 0 HA THR A 107 -2.178 -4.151 3.195 1.00 0.00 H new ATOM 0 HB THR A 107 -2.240 -6.992 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.206 -7.330 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.142 -7.306 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.890 -6.162 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.374 -5.557 4.973 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.304 -3.937 1.506 1.00 0.00 N ATOM 1663 CA VAL A 108 0.820 -3.984 0.536 1.00 0.00 C ATOM 1664 C VAL A 108 2.140 -3.921 1.297 1.00 0.00 C ATOM 1665 O VAL A 108 2.280 -3.264 2.299 1.00 0.00 O ATOM 1666 CB VAL A 108 0.593 -2.790 -0.427 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.394 -2.927 -1.721 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -0.907 -2.613 -0.752 1.00 0.00 C ATOM 0 H VAL A 108 -0.311 -3.148 2.152 1.00 0.00 H new ATOM 0 HA VAL A 108 0.861 -4.906 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 108 0.951 -1.902 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.201 -2.066 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.458 -2.974 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.096 -3.839 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.035 -1.769 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.286 -3.519 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.459 -2.427 0.169 1.00 0.00 H new ATOM 1678 N LYS A 109 3.093 -4.654 0.806 1.00 0.00 N ATOM 1679 CA LYS A 109 4.428 -4.719 1.478 1.00 0.00 C ATOM 1680 C LYS A 109 5.562 -4.606 0.463 1.00 0.00 C ATOM 1681 O LYS A 109 5.483 -5.081 -0.652 1.00 0.00 O ATOM 1682 CB LYS A 109 4.446 -6.052 2.185 1.00 0.00 C ATOM 1683 CG LYS A 109 5.821 -6.517 2.407 1.00 0.00 C ATOM 1684 CD LYS A 109 6.199 -7.573 1.375 1.00 0.00 C ATOM 1685 CE LYS A 109 6.567 -8.858 2.107 1.00 0.00 C ATOM 1686 NZ LYS A 109 5.885 -9.948 1.354 1.00 0.00 N ATOM 0 H LYS A 109 3.010 -5.218 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 109 4.576 -3.893 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.929 -5.967 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.902 -6.788 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.511 -5.675 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.914 -6.931 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.367 -7.751 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.038 -7.228 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.647 -9.007 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.234 -8.829 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.066 -10.859 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.861 -9.767 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.251 -9.979 0.381 1.00 0.00 H new ATOM 1700 N VAL A 110 6.614 -3.993 0.874 1.00 0.00 N ATOM 1701 CA VAL A 110 7.808 -3.820 0.021 1.00 0.00 C ATOM 1702 C VAL A 110 8.852 -4.872 0.451 1.00 0.00 C ATOM 1703 O VAL A 110 9.126 -5.015 1.642 1.00 0.00 O ATOM 1704 CB VAL A 110 8.318 -2.413 0.324 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.780 -2.249 -0.125 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.456 -1.387 -0.400 1.00 0.00 C ATOM 0 H VAL A 110 6.704 -3.586 1.805 1.00 0.00 H new ATOM 0 HA VAL A 110 7.604 -3.944 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 110 8.262 -2.255 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.119 -1.238 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.406 -2.969 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.853 -2.424 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.823 -0.384 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.504 -1.565 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.423 -1.477 -0.063 1.00 0.00 H new ATOM 1716 N MET A 111 9.438 -5.582 -0.508 1.00 0.00 N ATOM 1717 CA MET A 111 10.482 -6.627 -0.206 1.00 0.00 C ATOM 1718 C MET A 111 11.817 -6.105 -0.689 1.00 0.00 C ATOM 1719 O MET A 111 11.976 -5.739 -1.837 1.00 0.00 O ATOM 1720 CB MET A 111 10.078 -7.846 -1.003 1.00 0.00 C ATOM 1721 CG MET A 111 9.057 -8.678 -0.221 1.00 0.00 C ATOM 1722 SD MET A 111 7.686 -9.128 -1.316 1.00 0.00 S ATOM 1723 CE MET A 111 7.120 -7.451 -1.702 1.00 0.00 C ATOM 0 H MET A 111 9.229 -5.474 -1.501 1.00 0.00 H new ATOM 0 HA MET A 111 10.560 -6.862 0.856 1.00 0.00 H new ATOM 0 HB2 MET A 111 9.652 -7.539 -1.958 1.00 0.00 H new ATOM 0 HB3 MET A 111 10.957 -8.451 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 111 9.530 -9.576 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 111 8.685 -8.110 0.632 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.057 -7.365 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 111 7.677 -6.732 -1.102 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.285 -7.246 -2.760 1.00 0.00 H new ATOM 1733 N GLY A 112 12.752 -5.999 0.179 1.00 0.00 N ATOM 1734 CA GLY A 112 14.064 -5.411 -0.233 1.00 0.00 C ATOM 1735 C GLY A 112 14.989 -6.404 -0.973 1.00 0.00 C ATOM 1736 O GLY A 112 14.571 -7.189 -1.802 1.00 0.00 O ATOM 0 H GLY A 112 12.685 -6.287 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.880 -4.552 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.579 -5.040 0.653 1.00 0.00 H new ATOM 1740 N ASP A 113 16.264 -6.304 -0.681 1.00 0.00 N ATOM 1741 CA ASP A 113 17.329 -7.139 -1.332 1.00 0.00 C ATOM 1742 C ASP A 113 17.366 -8.540 -0.775 1.00 0.00 C ATOM 1743 O ASP A 113 18.053 -9.416 -1.261 1.00 0.00 O ATOM 1744 CB ASP A 113 18.614 -6.389 -1.007 1.00 0.00 C ATOM 1745 CG ASP A 113 18.989 -6.615 0.459 1.00 0.00 C ATOM 1746 OD1 ASP A 113 18.096 -6.876 1.245 1.00 0.00 O ATOM 1747 OD2 ASP A 113 20.166 -6.522 0.770 1.00 0.00 O ATOM 0 H ASP A 113 16.626 -5.649 0.012 1.00 0.00 H new ATOM 0 HA ASP A 113 17.162 -7.265 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.420 -6.732 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.483 -5.324 -1.198 1.00 0.00 H new ATOM 1752 N ASP A 114 16.604 -8.747 0.217 1.00 0.00 N ATOM 1753 CA ASP A 114 16.516 -10.061 0.829 1.00 0.00 C ATOM 1754 C ASP A 114 15.057 -10.510 0.877 1.00 0.00 C ATOM 1755 O ASP A 114 14.741 -11.623 1.248 1.00 0.00 O ATOM 1756 CB ASP A 114 17.129 -9.951 2.217 1.00 0.00 C ATOM 1757 CG ASP A 114 16.682 -8.653 2.890 1.00 0.00 C ATOM 1758 OD1 ASP A 114 15.531 -8.287 2.724 1.00 0.00 O ATOM 1759 OD2 ASP A 114 17.500 -8.045 3.563 1.00 0.00 O ATOM 0 H ASP A 114 16.015 -8.035 0.648 1.00 0.00 H new ATOM 0 HA ASP A 114 17.057 -10.813 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.829 -10.806 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.216 -9.976 2.145 1.00 0.00 H new ATOM 1764 N GLY A 115 14.172 -9.642 0.479 1.00 0.00 N ATOM 1765 CA GLY A 115 12.744 -9.956 0.456 1.00 0.00 C ATOM 1766 C GLY A 115 12.157 -9.707 1.781 1.00 0.00 C ATOM 1767 O GLY A 115 11.920 -10.562 2.603 1.00 0.00 O ATOM 0 H GLY A 115 14.401 -8.700 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.241 -9.347 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.596 -10.998 0.173 1.00 0.00 H new ATOM 1771 N VAL A 116 11.908 -8.489 1.874 1.00 0.00 N ATOM 1772 CA VAL A 116 11.257 -7.825 3.058 1.00 0.00 C ATOM 1773 C VAL A 116 11.679 -6.358 3.185 1.00 0.00 C ATOM 1774 O VAL A 116 12.809 -6.002 2.919 1.00 0.00 O ATOM 1775 CB VAL A 116 11.633 -8.580 4.325 1.00 0.00 C ATOM 1776 CG1 VAL A 116 10.671 -9.753 4.530 1.00 0.00 C ATOM 1777 CG2 VAL A 116 13.086 -9.055 4.263 1.00 0.00 C ATOM 0 H VAL A 116 12.135 -7.831 1.129 1.00 0.00 H new ATOM 0 HA VAL A 116 10.177 -7.848 2.912 1.00 0.00 H new ATOM 0 HB VAL A 116 11.547 -7.909 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.942 -10.292 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.652 -9.376 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.732 -10.427 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 116 13.333 -9.592 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.216 -9.718 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.746 -8.194 4.158 1.00 0.00 H new ATOM 1787 N LEU A 117 10.771 -5.501 3.591 1.00 0.00 N ATOM 1788 CA LEU A 117 11.113 -4.056 3.735 1.00 0.00 C ATOM 1789 C LEU A 117 10.117 -3.337 4.646 1.00 0.00 C ATOM 1790 O LEU A 117 10.489 -2.754 5.644 1.00 0.00 O ATOM 1791 CB LEU A 117 11.081 -3.500 2.326 1.00 0.00 C ATOM 1792 CG LEU A 117 12.212 -2.479 2.146 1.00 0.00 C ATOM 1793 CD1 LEU A 117 12.268 -1.542 3.356 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.547 -3.215 2.007 1.00 0.00 C ATOM 0 H LEU A 117 9.809 -5.743 3.828 1.00 0.00 H new ATOM 0 HA LEU A 117 12.088 -3.914 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.190 -4.309 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.118 -3.028 2.133 1.00 0.00 H new ATOM 0 HG LEU A 117 12.023 -1.891 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.074 -0.820 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.319 -1.013 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.451 -2.124 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.351 -2.490 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.731 -3.807 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.511 -3.873 1.139 1.00 0.00 H new ATOM 1806 N ALA A 118 8.860 -3.374 4.319 1.00 0.00 N ATOM 1807 CA ALA A 118 7.843 -2.681 5.195 1.00 0.00 C ATOM 1808 C ALA A 118 6.455 -2.971 4.680 1.00 0.00 C ATOM 1809 O ALA A 118 6.189 -2.868 3.512 1.00 0.00 O ATOM 1810 CB ALA A 118 8.169 -1.188 5.093 1.00 0.00 C ATOM 0 H ALA A 118 8.482 -3.844 3.496 1.00 0.00 H new ATOM 0 HA ALA A 118 7.879 -3.020 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.469 -0.620 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.185 -1.013 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.085 -0.867 4.055 1.00 0.00 H new ATOM 1816 N CYS A 119 5.563 -3.351 5.521 1.00 0.00 N ATOM 1817 CA CYS A 119 4.193 -3.687 5.000 1.00 0.00 C ATOM 1818 C CYS A 119 3.083 -3.078 5.820 1.00 0.00 C ATOM 1819 O CYS A 119 3.105 -3.052 7.035 1.00 0.00 O ATOM 1820 CB CYS A 119 4.108 -5.209 4.986 1.00 0.00 C ATOM 1821 SG CYS A 119 3.485 -5.843 6.537 1.00 0.00 S ATOM 0 H CYS A 119 5.696 -3.449 6.528 1.00 0.00 H new ATOM 0 HA CYS A 119 4.058 -3.267 4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.458 -5.531 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 119 5.095 -5.628 4.790 1.00 0.00 H new ATOM 1826 N ALA A 120 2.109 -2.579 5.128 1.00 0.00 N ATOM 1827 CA ALA A 120 0.958 -1.945 5.824 1.00 0.00 C ATOM 1828 C ALA A 120 -0.344 -2.113 5.042 1.00 0.00 C ATOM 1829 O ALA A 120 -0.413 -1.994 3.822 1.00 0.00 O ATOM 1830 CB ALA A 120 1.331 -0.462 5.958 1.00 0.00 C ATOM 0 H ALA A 120 2.056 -2.580 4.109 1.00 0.00 H new ATOM 0 HA ALA A 120 0.779 -2.411 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.526 0.071 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.249 -0.369 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.483 -0.034 4.967 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.365 -2.428 5.775 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.714 -2.646 5.221 1.00 0.00 C ATOM 1838 C ILE A 121 -3.673 -1.520 5.647 1.00 0.00 C ATOM 1839 O ILE A 121 -3.765 -1.188 6.811 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.109 -3.942 5.839 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.209 -4.551 5.148 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.431 -3.786 7.306 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.499 -3.748 5.322 1.00 0.00 C ATOM 0 H ILE A 121 -1.312 -2.548 6.786 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.741 -2.655 4.131 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.248 -4.604 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.972 -4.634 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.358 -5.564 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.715 -4.753 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.555 -3.408 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.256 -3.084 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.309 -4.240 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.750 -3.688 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.358 -2.743 4.925 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.390 -0.936 4.723 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.336 0.154 5.084 1.00 0.00 C ATOM 1857 C ALA A 122 -6.712 -0.127 4.427 1.00 0.00 C ATOM 1858 O ALA A 122 -6.910 -1.162 3.814 1.00 0.00 O ATOM 1859 CB ALA A 122 -4.699 1.405 4.478 1.00 0.00 C ATOM 0 H ALA A 122 -4.359 -1.170 3.731 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.503 0.251 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.325 2.271 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.711 1.557 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.606 1.280 3.399 1.00 0.00 H new ATOM 1865 N THR A 123 -7.661 0.786 4.530 1.00 0.00 N ATOM 1866 CA THR A 123 -8.993 0.558 3.902 1.00 0.00 C ATOM 1867 C THR A 123 -9.223 1.552 2.755 1.00 0.00 C ATOM 1868 O THR A 123 -10.141 1.401 1.973 1.00 0.00 O ATOM 1869 CB THR A 123 -9.986 0.789 5.006 1.00 0.00 C ATOM 1870 OG1 THR A 123 -9.664 1.977 5.719 1.00 0.00 O ATOM 1871 CG2 THR A 123 -9.943 -0.420 5.927 1.00 0.00 C ATOM 0 H THR A 123 -7.561 1.674 5.023 1.00 0.00 H new ATOM 0 HA THR A 123 -9.080 -0.441 3.474 1.00 0.00 H new ATOM 0 HB THR A 123 -10.989 0.914 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.495 2.704 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 123 -10.655 -0.283 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.204 -1.316 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 123 -8.939 -0.529 6.337 1.00 0.00 H new ATOM 1879 N HIS A 124 -8.403 2.578 2.661 1.00 0.00 N ATOM 1880 CA HIS A 124 -8.589 3.597 1.562 1.00 0.00 C ATOM 1881 C HIS A 124 -9.967 4.240 1.651 1.00 0.00 C ATOM 1882 O HIS A 124 -10.127 5.343 2.131 1.00 0.00 O ATOM 1883 CB HIS A 124 -8.461 2.834 0.268 1.00 0.00 C ATOM 1884 CG HIS A 124 -7.014 2.629 -0.075 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -6.461 3.104 -1.254 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -5.995 1.991 0.587 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -5.166 2.747 -1.268 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -4.828 2.067 -0.168 1.00 0.00 N ATOM 0 H HIS A 124 -7.619 2.756 3.289 1.00 0.00 H new ATOM 0 HA HIS A 124 -7.854 4.398 1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -8.961 1.869 0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -8.958 3.379 -0.534 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -6.949 3.629 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.085 1.504 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.482 2.981 -2.070 1.00 0.00 H new ATOM 1896 N ALA A 125 -10.957 3.547 1.181 1.00 0.00 N ATOM 1897 CA ALA A 125 -12.352 4.081 1.213 1.00 0.00 C ATOM 1898 C ALA A 125 -13.338 2.909 1.095 1.00 0.00 C ATOM 1899 O ALA A 125 -13.447 2.292 0.053 1.00 0.00 O ATOM 1900 CB ALA A 125 -12.439 4.992 -0.014 1.00 0.00 C ATOM 0 H ALA A 125 -10.864 2.619 0.768 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.592 4.617 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -13.435 5.431 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.697 5.786 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.247 4.409 -0.915 1.00 0.00 H new ATOM 1906 N LYS A 126 -14.039 2.570 2.151 1.00 0.00 N ATOM 1907 CA LYS A 126 -14.974 1.418 2.078 1.00 0.00 C ATOM 1908 C LYS A 126 -16.359 1.810 2.572 1.00 0.00 C ATOM 1909 O LYS A 126 -16.835 2.901 2.343 1.00 0.00 O ATOM 1910 CB LYS A 126 -14.349 0.380 3.008 1.00 0.00 C ATOM 1911 CG LYS A 126 -12.878 0.192 2.638 1.00 0.00 C ATOM 1912 CD LYS A 126 -12.789 -0.587 1.329 1.00 0.00 C ATOM 1913 CE LYS A 126 -11.899 0.162 0.336 1.00 0.00 C ATOM 1914 NZ LYS A 126 -10.580 -0.532 0.390 1.00 0.00 N ATOM 0 H LYS A 126 -14.000 3.043 3.054 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.107 1.052 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -14.437 0.704 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -14.881 -0.568 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -12.390 1.161 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.356 -0.344 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -12.384 -1.582 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -13.785 -0.722 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -12.319 0.131 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.802 1.213 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -10.211 -0.651 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -9.912 0.036 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.697 -1.465 0.834 1.00 0.00 H new ATOM 1928 N ILE A 127 -17.009 0.908 3.230 1.00 0.00 N ATOM 1929 CA ILE A 127 -18.375 1.184 3.742 1.00 0.00 C ATOM 1930 C ILE A 127 -18.545 0.736 5.193 1.00 0.00 C ATOM 1931 O ILE A 127 -18.332 -0.408 5.540 1.00 0.00 O ATOM 1932 CB ILE A 127 -19.282 0.453 2.803 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -20.421 1.386 2.621 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -19.735 -0.904 3.360 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -21.648 0.658 2.071 1.00 0.00 C ATOM 0 H ILE A 127 -16.651 -0.024 3.441 1.00 0.00 H new ATOM 0 HA ILE A 127 -18.598 2.251 3.767 1.00 0.00 H new ATOM 0 HB ILE A 127 -18.788 0.200 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -20.669 1.853 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -20.134 2.187 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -20.391 -1.392 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -18.863 -1.532 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -20.273 -0.752 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -22.467 1.367 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -21.405 0.213 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -21.948 -0.126 2.766 1.00 0.00 H new ATOM 1947 N ARG A 128 -18.943 1.649 6.031 1.00 0.00 N ATOM 1948 CA ARG A 128 -19.159 1.329 7.469 1.00 0.00 C ATOM 1949 C ARG A 128 -19.874 2.480 8.188 1.00 0.00 C ATOM 1950 O ARG A 128 -19.743 3.626 7.805 1.00 0.00 O ATOM 1951 CB ARG A 128 -17.840 1.080 8.073 1.00 0.00 C ATOM 1952 CG ARG A 128 -18.151 0.037 9.106 1.00 0.00 C ATOM 1953 CD ARG A 128 -18.241 -1.326 8.435 1.00 0.00 C ATOM 1954 NE ARG A 128 -16.838 -1.819 8.368 1.00 0.00 N ATOM 1955 CZ ARG A 128 -16.489 -2.885 9.035 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -16.600 -2.907 10.334 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -16.026 -3.928 8.401 1.00 0.00 N ATOM 0 H ARG A 128 -19.131 2.619 5.777 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.795 0.449 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -17.118 0.722 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.421 1.982 8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -17.377 0.027 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.091 0.272 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.871 -2.007 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -18.679 -1.247 7.440 1.00 0.00 H new ATOM 0 HE ARG A 128 -16.150 -1.324 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -16.960 -2.091 10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.327 -3.740 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.937 -3.909 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -15.753 -4.762 8.922 1.00 0.00 H new ATOM 1971 N ASP A 129 -20.616 2.194 9.234 1.00 0.00 N ATOM 1972 CA ASP A 129 -21.326 3.271 9.983 1.00 0.00 C ATOM 1973 C ASP A 129 -21.838 4.355 9.028 1.00 0.00 C ATOM 1974 O ASP A 129 -22.352 3.999 7.981 1.00 0.00 O ATOM 1975 CB ASP A 129 -20.274 3.846 10.937 1.00 0.00 C ATOM 1976 CG ASP A 129 -19.412 2.717 11.512 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -19.873 2.052 12.425 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -18.306 2.536 11.027 1.00 0.00 O ATOM 1979 OXT ASP A 129 -21.709 5.521 9.364 1.00 0.00 O ATOM 0 H ASP A 129 -20.758 1.253 9.600 1.00 0.00 H new ATOM 0 HA ASP A 129 -22.199 2.891 10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -19.644 4.562 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -20.763 4.389 11.746 1.00 0.00 H new TER 1984 ASP A 129