USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 955 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 122 SER OG : rot 100:sc= 1.18 USER MOD Set 1.2: A 125 THR OG1 : rot -140:sc= 1.03 USER MOD Set 2.1: A 99 GLN : amide:sc= -0.615 X(o=-0.6,f=-0.63) USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0106 K(o=-0.6,f=-1.7) USER MOD Set 3.1: A 64 TYR OH : rot 0:sc= 0.517 USER MOD Set 3.2: A 71 CYS SG : rot -99:sc= 1.33! USER MOD Set 4.1: A 25 HIS : no HD1:sc= -0.0583 X(o=-0.3,f=-0.54) USER MOD Set 4.2: A 29 ASN : amide:sc= -0.244 X(o=-0.3,f=-0.58) USER MOD Set 5.1: A 5 THR OG1 : rot 144:sc= 0.922 USER MOD Set 5.2: A 84 LYS NZ :NH3+ -147:sc= -0.856 (180deg=-4.48!) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0556) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc=-0.00635 (180deg=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -82:sc= 0.984 USER MOD Single : A 28 THR OG1 : rot -58:sc= 0.099 USER MOD Single : A 33 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 43 GLN : amide:sc= -2.32 K(o=-2.3,f=-3!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -41:sc= 0.424 USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -0.117 (180deg=-1.09) USER MOD Single : A 59 CYS SG : rot -165:sc= -3.57 USER MOD Single : A 61 SER OG : rot 31:sc= 0.411 USER MOD Single : A 62 SER OG : rot -13:sc= 0.0245 USER MOD Single : A 66 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.49 (180deg=0.179) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -1.7 (180deg=-2.03) USER MOD Single : A 78 CYS SG : rot 85:sc= -1.58! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.12) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc=-0.00153 (180deg=-0.0526) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= -0.527 (180deg=-0.713) USER MOD Single : A 111 MET CE :methyl 170:sc=-0.00791 (180deg=-0.235) USER MOD Single : A 117 TYR OH : rot -48:sc= -0.666 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot -50:sc= 0.22 USER MOD Single : A 130 MET CE :methyl 168:sc= -4.11! (180deg=-4.36!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -3.656 7.172 12.581 1.00 0.00 N ATOM 21 CA GLU A 2 -4.500 6.130 12.019 1.00 0.00 C ATOM 22 C GLU A 2 -5.658 6.873 11.350 1.00 0.00 C ATOM 23 O GLU A 2 -6.757 6.974 11.882 1.00 0.00 O ATOM 24 CB GLU A 2 -4.996 5.178 13.122 1.00 0.00 C ATOM 25 CG GLU A 2 -3.859 4.389 13.792 1.00 0.00 C ATOM 26 CD GLU A 2 -4.385 3.539 14.965 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.343 2.790 14.774 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.828 3.632 16.059 1.00 0.00 O ATOM 0 HA GLU A 2 -3.965 5.504 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.526 5.754 13.880 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.713 4.478 12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.380 3.742 13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.097 5.080 14.153 1.00 0.00 H new ATOM 35 N LYS A 3 -5.328 7.368 10.138 1.00 0.00 N ATOM 36 CA LYS A 3 -6.248 8.127 9.333 1.00 0.00 C ATOM 37 C LYS A 3 -7.017 7.144 8.451 1.00 0.00 C ATOM 38 O LYS A 3 -6.804 5.937 8.442 1.00 0.00 O ATOM 39 CB LYS A 3 -5.510 9.234 8.572 1.00 0.00 C ATOM 40 CG LYS A 3 -4.993 10.305 9.528 1.00 0.00 C ATOM 41 CD LYS A 3 -4.169 11.379 8.810 1.00 0.00 C ATOM 42 CE LYS A 3 -3.763 12.534 9.728 1.00 0.00 C ATOM 43 NZ LYS A 3 -4.901 13.339 10.156 1.00 0.00 N ATOM 0 H LYS A 3 -4.411 7.241 9.710 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.980 8.658 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.676 8.804 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.180 9.687 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.837 10.775 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.381 9.836 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.272 10.922 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.746 11.773 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.255 12.134 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.047 13.171 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.560 14.182 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.451 13.633 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.505 12.777 10.789 1.00 0.00 H new ATOM 56 N LYS A 4 -7.935 7.803 7.718 1.00 0.00 N ATOM 57 CA LYS A 4 -8.882 7.158 6.829 1.00 0.00 C ATOM 58 C LYS A 4 -8.448 7.382 5.368 1.00 0.00 C ATOM 59 O LYS A 4 -8.622 8.461 4.817 1.00 0.00 O ATOM 60 CB LYS A 4 -10.278 7.724 7.196 1.00 0.00 C ATOM 61 CG LYS A 4 -10.631 9.147 6.723 1.00 0.00 C ATOM 62 CD LYS A 4 -9.698 10.259 7.224 1.00 0.00 C ATOM 63 CE LYS A 4 -10.185 11.653 6.818 1.00 0.00 C ATOM 64 NZ LYS A 4 -11.438 12.030 7.464 1.00 0.00 N ATOM 0 H LYS A 4 -8.029 8.818 7.738 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.921 6.074 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.030 7.043 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.373 7.700 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.631 9.160 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.647 9.377 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.622 10.205 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.696 10.096 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.419 12.387 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.316 11.685 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.622 13.041 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.217 11.468 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.369 11.850 8.486 1.00 0.00 H new ATOM 77 N THR A 5 -7.866 6.304 4.774 1.00 0.00 N ATOM 78 CA THR A 5 -7.425 6.333 3.375 1.00 0.00 C ATOM 79 C THR A 5 -6.652 5.022 3.132 1.00 0.00 C ATOM 80 O THR A 5 -5.575 4.824 3.683 1.00 0.00 O ATOM 81 CB THR A 5 -6.552 7.585 3.056 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.872 8.182 4.203 1.00 0.00 O ATOM 83 CG2 THR A 5 -7.313 8.565 2.105 1.00 0.00 C ATOM 0 H THR A 5 -7.698 5.417 5.248 1.00 0.00 H new ATOM 0 HA THR A 5 -8.284 6.409 2.708 1.00 0.00 H new ATOM 0 HB THR A 5 -5.688 7.239 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.995 8.519 3.924 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.685 9.431 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.550 8.055 1.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.236 8.893 2.583 1.00 0.00 H new ATOM 91 N ILE A 6 -7.239 4.162 2.256 1.00 0.00 N ATOM 92 CA ILE A 6 -6.642 2.890 1.916 1.00 0.00 C ATOM 93 C ILE A 6 -7.052 2.634 0.468 1.00 0.00 C ATOM 94 O ILE A 6 -8.207 2.359 0.178 1.00 0.00 O ATOM 95 CB ILE A 6 -7.094 1.693 2.812 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.585 1.810 3.357 1.00 0.00 C ATOM 97 CG2 ILE A 6 -6.274 0.438 2.312 1.00 0.00 C ATOM 98 CD1 ILE A 6 -8.655 2.623 4.646 1.00 0.00 C ATOM 0 H ILE A 6 -8.125 4.348 1.785 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.565 2.950 2.071 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.846 1.605 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.214 2.276 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.987 0.812 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.548 -0.435 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.500 0.250 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.207 0.632 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.689 2.679 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.047 2.142 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.278 3.629 4.462 1.00 0.00 H new ATOM 110 N VAL A 7 -6.041 2.703 -0.418 1.00 0.00 N ATOM 111 CA VAL A 7 -6.282 2.456 -1.822 1.00 0.00 C ATOM 112 C VAL A 7 -6.097 0.970 -2.104 1.00 0.00 C ATOM 113 O VAL A 7 -5.125 0.373 -1.656 1.00 0.00 O ATOM 114 CB VAL A 7 -5.314 3.245 -2.750 1.00 0.00 C ATOM 115 CG1 VAL A 7 -3.843 3.061 -2.261 1.00 0.00 C ATOM 116 CG2 VAL A 7 -5.590 3.500 -4.245 1.00 0.00 C ATOM 0 H VAL A 7 -5.075 2.924 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.298 2.788 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.631 4.279 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.170 3.616 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.749 3.435 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.581 2.003 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.768 4.072 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.680 2.547 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.518 4.061 -4.353 1.00 0.00 H new ATOM 126 N LEU A 8 -7.103 0.397 -2.812 1.00 0.00 N ATOM 127 CA LEU A 8 -6.976 -1.018 -3.149 1.00 0.00 C ATOM 128 C LEU A 8 -7.143 -1.165 -4.664 1.00 0.00 C ATOM 129 O LEU A 8 -8.102 -0.676 -5.250 1.00 0.00 O ATOM 130 CB LEU A 8 -7.901 -1.919 -2.306 1.00 0.00 C ATOM 131 CG LEU A 8 -7.589 -3.434 -2.417 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.513 -3.997 -3.569 1.00 0.00 C ATOM 133 CD2 LEU A 8 -6.056 -3.603 -2.053 1.00 0.00 C ATOM 0 H LEU A 8 -7.950 0.864 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.982 -1.379 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.826 -1.620 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.933 -1.749 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.875 -4.243 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.333 -5.065 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.559 -3.832 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.285 -3.482 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.781 -4.656 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.450 -3.028 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.881 -3.242 -1.040 1.00 0.00 H new ATOM 145 N GLY A 9 -6.158 -1.903 -5.242 1.00 0.00 N ATOM 146 CA GLY A 9 -6.146 -2.200 -6.679 1.00 0.00 C ATOM 147 C GLY A 9 -5.707 -3.655 -6.937 1.00 0.00 C ATOM 148 O GLY A 9 -5.278 -4.351 -6.027 1.00 0.00 O ATOM 0 H GLY A 9 -5.370 -2.297 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.140 -2.036 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.469 -1.516 -7.190 1.00 0.00 H new ATOM 152 N VAL A 10 -5.842 -4.074 -8.222 1.00 0.00 N ATOM 153 CA VAL A 10 -5.461 -5.425 -8.632 1.00 0.00 C ATOM 154 C VAL A 10 -4.983 -5.443 -10.087 1.00 0.00 C ATOM 155 O VAL A 10 -5.604 -4.843 -10.951 1.00 0.00 O ATOM 156 CB VAL A 10 -6.670 -6.394 -8.520 1.00 0.00 C ATOM 157 CG1 VAL A 10 -7.955 -5.782 -9.174 1.00 0.00 C ATOM 158 CG2 VAL A 10 -6.428 -7.890 -8.203 1.00 0.00 C ATOM 0 H VAL A 10 -6.209 -3.493 -8.975 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.656 -5.744 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.071 -6.563 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.782 -6.485 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.211 -4.850 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.767 -5.584 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.384 -8.413 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.805 -8.331 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.924 -7.981 -7.241 1.00 0.00 H new ATOM 168 N ILE A 11 -3.877 -6.186 -10.331 1.00 0.00 N ATOM 169 CA ILE A 11 -3.405 -6.181 -11.731 1.00 0.00 C ATOM 170 C ILE A 11 -2.603 -7.461 -12.022 1.00 0.00 C ATOM 171 O ILE A 11 -1.382 -7.499 -11.935 1.00 0.00 O ATOM 172 CB ILE A 11 -2.578 -4.889 -12.059 1.00 0.00 C ATOM 173 CG1 ILE A 11 -2.441 -4.506 -13.552 1.00 0.00 C ATOM 174 CG2 ILE A 11 -1.625 -4.521 -10.873 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.740 -4.478 -14.386 1.00 0.00 C ATOM 0 H ILE A 11 -3.346 -6.739 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.275 -6.167 -12.387 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.065 -3.914 -12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.980 -3.520 -13.609 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.751 -5.208 -14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.062 -3.622 -11.124 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.215 -4.341 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.933 -5.344 -10.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.507 -4.196 -15.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.200 -5.466 -14.377 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.431 -3.752 -13.958 1.00 0.00 H new ATOM 187 N GLY A 12 -3.378 -8.486 -12.442 1.00 0.00 N ATOM 188 CA GLY A 12 -2.850 -9.803 -12.792 1.00 0.00 C ATOM 189 C GLY A 12 -3.973 -10.807 -12.535 1.00 0.00 C ATOM 190 O GLY A 12 -4.287 -11.084 -11.386 1.00 0.00 O ATOM 0 H GLY A 12 -4.390 -8.412 -12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.538 -9.830 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.973 -10.041 -12.191 1.00 0.00 H new ATOM 292 N LYS A 21 -11.167 -10.088 -3.404 1.00 0.00 N ATOM 293 CA LYS A 21 -11.304 -10.999 -2.251 1.00 0.00 C ATOM 294 C LYS A 21 -11.421 -10.168 -0.994 1.00 0.00 C ATOM 295 O LYS A 21 -10.683 -10.223 -0.017 1.00 0.00 O ATOM 296 CB LYS A 21 -10.144 -12.009 -2.186 1.00 0.00 C ATOM 297 CG LYS A 21 -10.272 -13.121 -1.121 1.00 0.00 C ATOM 298 CD LYS A 21 -11.471 -14.068 -1.300 1.00 0.00 C ATOM 299 CE LYS A 21 -12.758 -13.604 -0.604 1.00 0.00 C ATOM 300 NZ LYS A 21 -13.782 -14.640 -0.596 1.00 0.00 N ATOM 0 HA LYS A 21 -12.207 -11.599 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.044 -12.480 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.221 -11.460 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.358 -13.714 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.342 -12.654 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.671 -14.184 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.201 -15.052 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.530 -13.313 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.143 -12.718 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.633 -14.283 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.020 -14.901 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.425 -15.477 -0.092 1.00 0.00 H new ATOM 313 N ILE A 22 -12.472 -9.391 -1.190 1.00 0.00 N ATOM 314 CA ILE A 22 -13.084 -8.380 -0.417 1.00 0.00 C ATOM 315 C ILE A 22 -11.995 -7.683 0.406 1.00 0.00 C ATOM 316 O ILE A 22 -12.059 -7.555 1.621 1.00 0.00 O ATOM 317 CB ILE A 22 -14.345 -8.931 0.290 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.643 -10.442 0.174 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.408 -7.787 0.359 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.237 -10.785 -1.201 1.00 0.00 C ATOM 0 H ILE A 22 -12.989 -9.498 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.516 -7.569 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.220 -9.168 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.725 -11.010 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.339 -10.740 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.307 -8.155 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.002 -6.946 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.658 -7.461 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.437 -11.855 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.167 -10.235 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.529 -10.509 -1.982 1.00 0.00 H new ATOM 332 N LEU A 23 -10.966 -7.252 -0.374 1.00 0.00 N ATOM 333 CA LEU A 23 -9.884 -6.450 0.168 1.00 0.00 C ATOM 334 C LEU A 23 -10.559 -5.066 0.408 1.00 0.00 C ATOM 335 O LEU A 23 -10.191 -4.294 1.287 1.00 0.00 O ATOM 336 CB LEU A 23 -8.762 -6.514 -0.882 1.00 0.00 C ATOM 337 CG LEU A 23 -7.362 -5.956 -0.533 1.00 0.00 C ATOM 338 CD1 LEU A 23 -7.442 -4.833 0.561 1.00 0.00 C ATOM 339 CD2 LEU A 23 -6.324 -7.100 -0.851 1.00 0.00 C ATOM 0 H LEU A 23 -10.882 -7.456 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.418 -6.755 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.636 -7.560 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.113 -5.986 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.768 -5.217 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.439 -4.466 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.057 -4.011 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.885 -5.241 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.317 -6.752 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.553 -7.977 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.384 -7.362 -1.907 1.00 0.00 H new ATOM 351 N ASP A 24 -11.629 -4.818 -0.394 1.00 0.00 N ATOM 352 CA ASP A 24 -12.395 -3.598 -0.195 1.00 0.00 C ATOM 353 C ASP A 24 -13.124 -3.723 1.184 1.00 0.00 C ATOM 354 O ASP A 24 -13.577 -2.736 1.753 1.00 0.00 O ATOM 355 CB ASP A 24 -13.342 -3.419 -1.397 1.00 0.00 C ATOM 356 CG ASP A 24 -14.074 -2.068 -1.383 1.00 0.00 C ATOM 357 OD1 ASP A 24 -13.439 -1.049 -1.657 1.00 0.00 O ATOM 358 OD2 ASP A 24 -15.273 -2.051 -1.107 1.00 0.00 O ATOM 0 H ASP A 24 -11.955 -5.426 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.776 -2.701 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.770 -3.507 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.076 -4.225 -1.398 1.00 0.00 H new ATOM 363 N HIS A 25 -13.189 -4.971 1.718 1.00 0.00 N ATOM 364 CA HIS A 25 -13.830 -5.183 3.018 1.00 0.00 C ATOM 365 C HIS A 25 -12.898 -4.623 4.086 1.00 0.00 C ATOM 366 O HIS A 25 -13.349 -4.221 5.146 1.00 0.00 O ATOM 367 CB HIS A 25 -14.129 -6.649 3.406 1.00 0.00 C ATOM 368 CG HIS A 25 -15.013 -6.690 4.635 1.00 0.00 C ATOM 369 ND1 HIS A 25 -14.696 -7.355 5.766 1.00 0.00 N ATOM 370 CD2 HIS A 25 -16.254 -6.058 4.828 1.00 0.00 C ATOM 371 CE1 HIS A 25 -15.710 -7.133 6.620 1.00 0.00 C ATOM 372 NE2 HIS A 25 -16.666 -6.354 6.082 1.00 0.00 N ATOM 0 H HIS A 25 -12.816 -5.812 1.277 1.00 0.00 H new ATOM 0 HA HIS A 25 -14.799 -4.689 2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.620 -7.160 2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -13.197 -7.180 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.781 -5.449 4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -15.752 -7.534 7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -17.529 -6.048 6.530 1.00 0.00 H new ATOM 380 N SER A 26 -11.591 -4.629 3.741 1.00 0.00 N ATOM 381 CA SER A 26 -10.510 -4.155 4.596 1.00 0.00 C ATOM 382 C SER A 26 -10.847 -2.750 5.113 1.00 0.00 C ATOM 383 O SER A 26 -10.712 -2.438 6.291 1.00 0.00 O ATOM 384 CB SER A 26 -9.131 -4.192 3.884 1.00 0.00 C ATOM 385 OG SER A 26 -8.656 -3.063 3.046 1.00 0.00 O ATOM 0 H SER A 26 -11.264 -4.973 2.838 1.00 0.00 H new ATOM 0 HA SER A 26 -10.423 -4.834 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.380 -4.349 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.126 -5.079 3.251 1.00 0.00 H new ATOM 0 HG SER A 26 -9.046 -3.134 2.150 1.00 0.00 H new ATOM 391 N PHE A 27 -11.339 -1.945 4.151 1.00 0.00 N ATOM 392 CA PHE A 27 -11.699 -0.555 4.464 1.00 0.00 C ATOM 393 C PHE A 27 -12.719 -0.531 5.599 1.00 0.00 C ATOM 394 O PHE A 27 -12.603 0.201 6.570 1.00 0.00 O ATOM 395 CB PHE A 27 -12.125 0.280 3.222 1.00 0.00 C ATOM 396 CG PHE A 27 -13.602 0.492 2.911 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.478 1.134 3.790 1.00 0.00 C ATOM 398 CD2 PHE A 27 -14.109 0.080 1.682 1.00 0.00 C ATOM 399 CE1 PHE A 27 -15.810 1.342 3.458 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.440 0.291 1.341 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.294 0.920 2.231 1.00 0.00 C ATOM 0 H PHE A 27 -11.491 -2.224 3.182 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.799 -0.047 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.671 1.266 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.675 -0.189 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.112 1.475 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.455 -0.414 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.470 1.834 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.809 -0.036 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.330 1.080 1.970 1.00 0.00 H new ATOM 411 N THR A 28 -13.708 -1.401 5.395 1.00 0.00 N ATOM 412 CA THR A 28 -14.852 -1.546 6.273 1.00 0.00 C ATOM 413 C THR A 28 -14.508 -2.246 7.600 1.00 0.00 C ATOM 414 O THR A 28 -15.243 -2.184 8.578 1.00 0.00 O ATOM 415 CB THR A 28 -15.878 -2.334 5.404 1.00 0.00 C ATOM 416 OG1 THR A 28 -15.736 -2.286 3.941 1.00 0.00 O ATOM 417 CG2 THR A 28 -17.327 -2.086 5.880 1.00 0.00 C ATOM 0 H THR A 28 -13.730 -2.035 4.596 1.00 0.00 H new ATOM 0 HA THR A 28 -15.247 -0.587 6.609 1.00 0.00 H new ATOM 0 HB THR A 28 -15.606 -3.372 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.772 -1.354 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.018 -2.650 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.430 -2.410 6.916 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.557 -1.023 5.808 1.00 0.00 H new ATOM 425 N ASN A 29 -13.358 -2.893 7.545 1.00 0.00 N ATOM 426 CA ASN A 29 -12.743 -3.706 8.557 1.00 0.00 C ATOM 427 C ASN A 29 -12.176 -2.823 9.649 1.00 0.00 C ATOM 428 O ASN A 29 -11.921 -3.305 10.746 1.00 0.00 O ATOM 429 CB ASN A 29 -11.668 -4.620 7.937 1.00 0.00 C ATOM 430 CG ASN A 29 -11.784 -6.087 8.353 1.00 0.00 C ATOM 431 OD1 ASN A 29 -11.697 -6.446 9.521 1.00 0.00 O ATOM 432 ND2 ASN A 29 -11.982 -6.896 7.295 1.00 0.00 N ATOM 0 H ASN A 29 -12.782 -2.853 6.704 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.494 -4.355 9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.733 -4.555 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.683 -4.249 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.073 -7.903 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.041 -6.502 6.356 1.00 0.00 H new ATOM 439 N ALA A 30 -11.981 -1.529 9.316 1.00 0.00 N ATOM 440 CA ALA A 30 -11.457 -0.624 10.301 1.00 0.00 C ATOM 441 C ALA A 30 -12.224 0.692 10.186 1.00 0.00 C ATOM 442 O ALA A 30 -11.823 1.691 10.772 1.00 0.00 O ATOM 443 CB ALA A 30 -9.939 -0.474 10.152 1.00 0.00 C ATOM 0 H ALA A 30 -12.177 -1.121 8.402 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.602 -1.011 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.566 0.216 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.463 -1.446 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.707 -0.085 9.160 1.00 0.00 H new ATOM 449 N GLY A 31 -13.341 0.654 9.418 1.00 0.00 N ATOM 450 CA GLY A 31 -14.169 1.836 9.221 1.00 0.00 C ATOM 451 C GLY A 31 -13.386 3.026 8.641 1.00 0.00 C ATOM 452 O GLY A 31 -13.755 4.178 8.837 1.00 0.00 O ATOM 0 H GLY A 31 -13.674 -0.181 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.993 1.589 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.610 2.128 10.174 1.00 0.00 H new ATOM 456 N PHE A 32 -12.295 2.670 7.920 1.00 0.00 N ATOM 457 CA PHE A 32 -11.455 3.700 7.318 1.00 0.00 C ATOM 458 C PHE A 32 -11.889 3.759 5.852 1.00 0.00 C ATOM 459 O PHE A 32 -12.247 2.768 5.234 1.00 0.00 O ATOM 460 CB PHE A 32 -9.957 3.374 7.488 1.00 0.00 C ATOM 461 CG PHE A 32 -9.429 3.575 8.890 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.713 4.726 9.623 1.00 0.00 C ATOM 463 CD2 PHE A 32 -8.620 2.603 9.470 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.208 4.896 10.906 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.115 2.768 10.753 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.409 3.915 11.473 1.00 0.00 C ATOM 0 H PHE A 32 -11.994 1.710 7.752 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.578 4.670 7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.788 2.338 7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.382 3.998 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.334 5.495 9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.381 1.708 8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.438 5.793 11.462 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.492 2.001 11.190 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.018 4.044 12.471 1.00 0.00 H new ATOM 476 N ASN A 33 -11.823 5.013 5.359 1.00 0.00 N ATOM 477 CA ASN A 33 -12.219 5.404 4.018 1.00 0.00 C ATOM 478 C ASN A 33 -11.217 4.807 3.035 1.00 0.00 C ATOM 479 O ASN A 33 -10.009 4.817 3.235 1.00 0.00 O ATOM 480 CB ASN A 33 -12.224 6.943 3.890 1.00 0.00 C ATOM 481 CG ASN A 33 -13.255 7.610 4.817 1.00 0.00 C ATOM 482 OD1 ASN A 33 -13.933 6.972 5.613 1.00 0.00 O ATOM 483 ND2 ASN A 33 -13.321 8.943 4.648 1.00 0.00 N ATOM 0 H ASN A 33 -11.479 5.797 5.913 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.224 5.040 3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.230 7.326 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.438 7.217 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.972 9.496 5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.721 9.400 3.962 1.00 0.00 H new ATOM 490 N VAL A 34 -11.820 4.295 1.944 1.00 0.00 N ATOM 491 CA VAL A 34 -11.030 3.701 0.883 1.00 0.00 C ATOM 492 C VAL A 34 -10.942 4.681 -0.271 1.00 0.00 C ATOM 493 O VAL A 34 -11.577 5.727 -0.330 1.00 0.00 O ATOM 494 CB VAL A 34 -11.645 2.353 0.371 1.00 0.00 C ATOM 495 CG1 VAL A 34 -13.067 2.587 -0.235 1.00 0.00 C ATOM 496 CG2 VAL A 34 -10.835 1.043 0.116 1.00 0.00 C ATOM 0 H VAL A 34 -12.828 4.286 1.789 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.041 3.480 1.284 1.00 0.00 H new ATOM 0 HB VAL A 34 -11.651 1.694 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.474 1.638 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -13.723 3.005 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.996 3.281 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.509 0.261 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.070 1.229 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.360 0.723 1.043 1.00 0.00 H new ATOM 506 N VAL A 35 -10.081 4.205 -1.175 1.00 0.00 N ATOM 507 CA VAL A 35 -9.796 4.837 -2.435 1.00 0.00 C ATOM 508 C VAL A 35 -9.696 3.670 -3.410 1.00 0.00 C ATOM 509 O VAL A 35 -8.626 3.248 -3.833 1.00 0.00 O ATOM 510 CB VAL A 35 -8.514 5.732 -2.403 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.397 6.444 -3.784 1.00 0.00 C ATOM 512 CG2 VAL A 35 -7.897 6.358 -1.134 1.00 0.00 C ATOM 0 H VAL A 35 -9.555 3.343 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.569 5.549 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.694 5.042 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.510 7.077 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.317 5.696 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.282 7.057 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.010 6.931 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.625 7.018 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.619 5.568 -0.437 1.00 0.00 H new ATOM 522 N ASN A 36 -10.905 3.140 -3.702 1.00 0.00 N ATOM 523 CA ASN A 36 -10.945 2.029 -4.643 1.00 0.00 C ATOM 524 C ASN A 36 -10.591 2.666 -5.997 1.00 0.00 C ATOM 525 O ASN A 36 -11.286 3.544 -6.496 1.00 0.00 O ATOM 526 CB ASN A 36 -12.331 1.360 -4.623 1.00 0.00 C ATOM 527 CG ASN A 36 -12.333 0.052 -5.430 1.00 0.00 C ATOM 528 OD1 ASN A 36 -12.171 -1.035 -4.889 1.00 0.00 O ATOM 529 ND2 ASN A 36 -12.529 0.233 -6.750 1.00 0.00 N ATOM 0 H ASN A 36 -11.802 3.445 -3.324 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.249 1.225 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.623 1.155 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.073 2.044 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.550 -0.571 -7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.656 1.174 -7.122 1.00 0.00 H new ATOM 536 N ILE A 37 -9.460 2.160 -6.539 1.00 0.00 N ATOM 537 CA ILE A 37 -8.935 2.664 -7.798 1.00 0.00 C ATOM 538 C ILE A 37 -9.601 1.803 -8.875 1.00 0.00 C ATOM 539 O ILE A 37 -10.673 2.135 -9.366 1.00 0.00 O ATOM 540 CB ILE A 37 -7.367 2.658 -7.833 1.00 0.00 C ATOM 541 CG1 ILE A 37 -6.803 4.114 -8.107 1.00 0.00 C ATOM 542 CG2 ILE A 37 -6.786 1.474 -6.960 1.00 0.00 C ATOM 543 CD1 ILE A 37 -5.275 4.188 -8.314 1.00 0.00 C ATOM 0 H ILE A 37 -8.909 1.412 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.170 3.716 -7.960 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.784 2.292 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.295 4.519 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.074 4.757 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.697 1.492 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.112 1.590 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.148 0.523 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.982 5.222 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.769 3.818 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.994 3.576 -9.171 1.00 0.00 H new ATOM 555 N GLY A 38 -8.925 0.692 -9.209 1.00 0.00 N ATOM 556 CA GLY A 38 -9.456 -0.214 -10.207 1.00 0.00 C ATOM 557 C GLY A 38 -8.439 -1.326 -10.426 1.00 0.00 C ATOM 558 O GLY A 38 -8.185 -2.147 -9.553 1.00 0.00 O ATOM 0 H GLY A 38 -8.030 0.414 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.408 -0.629 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.646 0.317 -11.140 1.00 0.00 H new ATOM 562 N VAL A 39 -7.875 -1.283 -11.651 1.00 0.00 N ATOM 563 CA VAL A 39 -6.871 -2.256 -12.044 1.00 0.00 C ATOM 564 C VAL A 39 -5.485 -1.744 -11.624 1.00 0.00 C ATOM 565 O VAL A 39 -4.737 -2.404 -10.914 1.00 0.00 O ATOM 566 CB VAL A 39 -6.969 -2.498 -13.588 1.00 0.00 C ATOM 567 CG1 VAL A 39 -7.340 -3.991 -13.848 1.00 0.00 C ATOM 568 CG2 VAL A 39 -7.205 -1.358 -14.616 1.00 0.00 C ATOM 0 H VAL A 39 -8.102 -0.591 -12.365 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.038 -3.211 -11.547 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.004 -2.296 -14.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.410 -4.167 -14.921 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.571 -4.636 -13.424 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.299 -4.214 -13.380 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.235 -1.776 -15.622 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.152 -0.864 -14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.394 -0.633 -14.548 1.00 0.00 H new ATOM 578 N LEU A 40 -5.201 -0.513 -12.094 1.00 0.00 N ATOM 579 CA LEU A 40 -3.920 0.093 -11.789 1.00 0.00 C ATOM 580 C LEU A 40 -4.059 0.735 -10.411 1.00 0.00 C ATOM 581 O LEU A 40 -5.130 1.116 -9.954 1.00 0.00 O ATOM 582 CB LEU A 40 -3.520 1.144 -12.838 1.00 0.00 C ATOM 583 CG LEU A 40 -3.436 0.582 -14.291 1.00 0.00 C ATOM 584 CD1 LEU A 40 -3.117 1.769 -15.247 1.00 0.00 C ATOM 585 CD2 LEU A 40 -3.112 -0.891 -14.634 1.00 0.00 C ATOM 0 H LEU A 40 -5.827 0.053 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.134 -0.662 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.242 1.960 -12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.553 1.567 -12.565 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.395 0.130 -14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.052 1.404 -16.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.908 2.515 -15.177 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.167 2.220 -14.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.115 -1.022 -15.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.129 -1.149 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.864 -1.542 -14.188 1.00 0.00 H new ATOM 597 N SER A 41 -2.862 0.801 -9.805 1.00 0.00 N ATOM 598 CA SER A 41 -2.648 1.389 -8.498 1.00 0.00 C ATOM 599 C SER A 41 -1.183 1.820 -8.605 1.00 0.00 C ATOM 600 O SER A 41 -0.307 1.396 -7.861 1.00 0.00 O ATOM 601 CB SER A 41 -2.928 0.317 -7.393 1.00 0.00 C ATOM 602 OG SER A 41 -2.828 0.603 -5.939 1.00 0.00 O ATOM 0 H SER A 41 -2.008 0.437 -10.228 1.00 0.00 H new ATOM 0 HA SER A 41 -3.296 2.221 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.940 -0.048 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.251 -0.514 -7.591 1.00 0.00 H new ATOM 0 HG SER A 41 -3.046 -0.206 -5.431 1.00 0.00 H new ATOM 608 N SER A 42 -1.023 2.694 -9.633 1.00 0.00 N ATOM 609 CA SER A 42 0.210 3.307 -10.101 1.00 0.00 C ATOM 610 C SER A 42 0.951 3.908 -8.904 1.00 0.00 C ATOM 611 O SER A 42 0.390 4.192 -7.855 1.00 0.00 O ATOM 612 CB SER A 42 -0.140 4.345 -11.213 1.00 0.00 C ATOM 613 OG SER A 42 -1.543 4.811 -11.358 1.00 0.00 O ATOM 0 H SER A 42 -1.824 3.000 -10.186 1.00 0.00 H new ATOM 0 HA SER A 42 0.884 2.578 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.482 5.225 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.163 3.916 -12.168 1.00 0.00 H new ATOM 0 HG SER A 42 -1.599 5.457 -12.093 1.00 0.00 H new ATOM 619 N GLN A 43 2.266 4.073 -9.152 1.00 0.00 N ATOM 620 CA GLN A 43 3.160 4.581 -8.134 1.00 0.00 C ATOM 621 C GLN A 43 3.070 6.111 -8.122 1.00 0.00 C ATOM 622 O GLN A 43 2.268 6.684 -7.401 1.00 0.00 O ATOM 623 CB GLN A 43 4.578 4.024 -8.378 1.00 0.00 C ATOM 624 CG GLN A 43 5.645 4.524 -7.389 1.00 0.00 C ATOM 625 CD GLN A 43 5.241 4.263 -5.932 1.00 0.00 C ATOM 626 OE1 GLN A 43 5.120 5.178 -5.127 1.00 0.00 O ATOM 627 NE2 GLN A 43 5.049 2.962 -5.654 1.00 0.00 N ATOM 0 H GLN A 43 2.713 3.860 -10.044 1.00 0.00 H new ATOM 0 HA GLN A 43 2.877 4.247 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.539 2.936 -8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.888 4.287 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.593 4.029 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.804 5.592 -7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.171 2.261 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.781 2.676 -4.712 1.00 0.00 H new ATOM 636 N GLU A 44 3.933 6.729 -8.956 1.00 0.00 N ATOM 637 CA GLU A 44 4.088 8.172 -9.059 1.00 0.00 C ATOM 638 C GLU A 44 2.785 8.869 -9.496 1.00 0.00 C ATOM 639 O GLU A 44 2.687 10.081 -9.338 1.00 0.00 O ATOM 640 CB GLU A 44 5.307 8.536 -9.942 1.00 0.00 C ATOM 641 CG GLU A 44 5.543 7.631 -11.167 1.00 0.00 C ATOM 642 CD GLU A 44 4.332 7.576 -12.110 1.00 0.00 C ATOM 643 OE1 GLU A 44 4.078 8.563 -12.798 1.00 0.00 O ATOM 644 OE2 GLU A 44 3.661 6.545 -12.148 1.00 0.00 O ATOM 0 H GLU A 44 4.550 6.215 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 44 4.298 8.560 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.186 9.562 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.202 8.514 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.411 7.993 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.779 6.622 -10.828 1.00 0.00 H new ATOM 651 N ASP A 45 1.792 8.120 -10.032 1.00 0.00 N ATOM 652 CA ASP A 45 0.562 8.795 -10.440 1.00 0.00 C ATOM 653 C ASP A 45 -0.378 8.791 -9.240 1.00 0.00 C ATOM 654 O ASP A 45 -1.064 9.778 -9.000 1.00 0.00 O ATOM 655 CB ASP A 45 -0.114 8.127 -11.652 1.00 0.00 C ATOM 656 CG ASP A 45 0.776 8.144 -12.907 1.00 0.00 C ATOM 657 OD1 ASP A 45 1.174 9.228 -13.333 1.00 0.00 O ATOM 658 OD2 ASP A 45 1.055 7.075 -13.449 1.00 0.00 O ATOM 0 H ASP A 45 1.820 7.111 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 45 0.804 9.810 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.364 7.096 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.052 8.639 -11.869 1.00 0.00 H new ATOM 663 N PHE A 46 -0.389 7.659 -8.491 1.00 0.00 N ATOM 664 CA PHE A 46 -1.287 7.615 -7.348 1.00 0.00 C ATOM 665 C PHE A 46 -0.627 8.338 -6.158 1.00 0.00 C ATOM 666 O PHE A 46 -1.281 8.591 -5.156 1.00 0.00 O ATOM 667 CB PHE A 46 -1.741 6.189 -6.996 1.00 0.00 C ATOM 668 CG PHE A 46 -2.806 6.247 -5.944 1.00 0.00 C ATOM 669 CD1 PHE A 46 -4.084 6.705 -6.251 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.502 5.906 -4.636 1.00 0.00 C ATOM 671 CE1 PHE A 46 -5.037 6.858 -5.256 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.452 6.057 -3.646 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.717 6.535 -3.946 1.00 0.00 C ATOM 0 H PHE A 46 0.178 6.827 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.206 8.139 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.121 5.687 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.893 5.604 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.336 6.943 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.523 5.522 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.023 7.226 -5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.206 5.800 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.451 6.656 -3.163 1.00 0.00 H new ATOM 683 N ILE A 47 0.673 8.674 -6.298 1.00 0.00 N ATOM 684 CA ILE A 47 1.364 9.382 -5.227 1.00 0.00 C ATOM 685 C ILE A 47 0.933 10.856 -5.363 1.00 0.00 C ATOM 686 O ILE A 47 0.873 11.592 -4.384 1.00 0.00 O ATOM 687 CB ILE A 47 2.901 9.090 -5.251 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.399 7.980 -4.279 1.00 0.00 C ATOM 689 CG2 ILE A 47 3.690 10.201 -6.012 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.586 6.666 -4.227 1.00 0.00 C ATOM 0 H ILE A 47 1.241 8.469 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 47 1.091 9.043 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 47 3.498 8.384 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.425 7.731 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.426 8.400 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.753 9.961 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.337 10.258 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.532 11.161 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.043 5.983 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.563 6.883 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.578 6.204 -5.214 1.00 0.00 H new ATOM 702 N ASN A 48 0.605 11.232 -6.629 1.00 0.00 N ATOM 703 CA ASN A 48 0.136 12.580 -6.897 1.00 0.00 C ATOM 704 C ASN A 48 -1.326 12.635 -6.395 1.00 0.00 C ATOM 705 O ASN A 48 -1.813 13.687 -5.998 1.00 0.00 O ATOM 706 CB ASN A 48 0.264 12.888 -8.401 1.00 0.00 C ATOM 707 CG ASN A 48 -0.137 14.336 -8.717 1.00 0.00 C ATOM 708 OD1 ASN A 48 -1.195 14.605 -9.273 1.00 0.00 O ATOM 709 ND2 ASN A 48 0.778 15.242 -8.324 1.00 0.00 N ATOM 0 H ASN A 48 0.661 10.624 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 48 0.727 13.339 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.291 12.716 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.366 12.203 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.613 16.236 -8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.636 14.935 -7.866 1.00 0.00 H new ATOM 716 N ALA A 49 -1.989 11.448 -6.419 1.00 0.00 N ATOM 717 CA ALA A 49 -3.363 11.355 -5.959 1.00 0.00 C ATOM 718 C ALA A 49 -3.345 11.013 -4.457 1.00 0.00 C ATOM 719 O ALA A 49 -4.399 10.833 -3.869 1.00 0.00 O ATOM 720 CB ALA A 49 -4.129 10.291 -6.752 1.00 0.00 C ATOM 0 H ALA A 49 -1.587 10.570 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.874 12.305 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.156 10.238 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.129 10.555 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.647 9.322 -6.620 1.00 0.00 H new ATOM 726 N ALA A 50 -2.136 10.915 -3.855 1.00 0.00 N ATOM 727 CA ALA A 50 -2.027 10.624 -2.430 1.00 0.00 C ATOM 728 C ALA A 50 -2.024 11.967 -1.711 1.00 0.00 C ATOM 729 O ALA A 50 -2.224 12.026 -0.508 1.00 0.00 O ATOM 730 CB ALA A 50 -0.773 9.806 -2.113 1.00 0.00 C ATOM 0 H ALA A 50 -1.244 11.033 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.864 10.011 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.728 9.610 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.809 8.860 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.112 10.364 -2.417 1.00 0.00 H new ATOM 736 N ILE A 51 -1.780 13.037 -2.492 1.00 0.00 N ATOM 737 CA ILE A 51 -1.825 14.383 -1.948 1.00 0.00 C ATOM 738 C ILE A 51 -3.332 14.729 -1.907 1.00 0.00 C ATOM 739 O ILE A 51 -3.833 15.345 -0.975 1.00 0.00 O ATOM 740 CB ILE A 51 -1.040 15.359 -2.885 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.173 14.770 -3.635 1.00 0.00 C ATOM 742 CG2 ILE A 51 -1.266 16.830 -2.405 1.00 0.00 C ATOM 743 CD1 ILE A 51 0.978 15.747 -4.519 1.00 0.00 C ATOM 0 H ILE A 51 -1.554 12.985 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.366 14.465 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.381 15.517 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.851 14.337 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.179 13.952 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.720 17.513 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.330 17.065 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.906 16.938 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.803 15.214 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.327 16.163 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.373 16.554 -3.902 1.00 0.00 H new ATOM 755 N GLU A 52 -3.996 14.255 -2.987 1.00 0.00 N ATOM 756 CA GLU A 52 -5.406 14.435 -3.256 1.00 0.00 C ATOM 757 C GLU A 52 -6.268 13.770 -2.165 1.00 0.00 C ATOM 758 O GLU A 52 -6.893 14.463 -1.371 1.00 0.00 O ATOM 759 CB GLU A 52 -5.731 13.889 -4.661 1.00 0.00 C ATOM 760 CG GLU A 52 -7.218 13.974 -5.043 1.00 0.00 C ATOM 761 CD GLU A 52 -7.436 13.439 -6.468 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.447 12.221 -6.643 1.00 0.00 O ATOM 763 OE2 GLU A 52 -7.593 14.244 -7.387 1.00 0.00 O ATOM 0 H GLU A 52 -3.526 13.716 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.645 15.498 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.146 14.441 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.412 12.848 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.815 13.398 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.558 15.008 -4.980 1.00 0.00 H new ATOM 770 N THR A 53 -6.297 12.411 -2.170 1.00 0.00 N ATOM 771 CA THR A 53 -7.155 11.679 -1.258 1.00 0.00 C ATOM 772 C THR A 53 -6.588 11.710 0.152 1.00 0.00 C ATOM 773 O THR A 53 -7.347 11.821 1.107 1.00 0.00 O ATOM 774 CB THR A 53 -7.483 10.235 -1.770 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.390 9.499 -2.401 1.00 0.00 O ATOM 776 CG2 THR A 53 -8.826 10.218 -2.568 1.00 0.00 C ATOM 0 H THR A 53 -5.739 11.827 -2.792 1.00 0.00 H new ATOM 0 HA THR A 53 -8.120 12.185 -1.222 1.00 0.00 H new ATOM 0 HB THR A 53 -7.626 9.639 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.882 10.103 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.032 9.205 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.637 10.553 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.747 10.884 -3.427 1.00 0.00 H new ATOM 784 N LYS A 54 -5.248 11.605 0.220 1.00 0.00 N ATOM 785 CA LYS A 54 -4.484 11.583 1.472 1.00 0.00 C ATOM 786 C LYS A 54 -4.218 10.099 1.737 1.00 0.00 C ATOM 787 O LYS A 54 -4.317 9.634 2.862 1.00 0.00 O ATOM 788 CB LYS A 54 -5.186 12.241 2.688 1.00 0.00 C ATOM 789 CG LYS A 54 -4.237 12.541 3.855 1.00 0.00 C ATOM 790 CD LYS A 54 -4.948 12.699 5.208 1.00 0.00 C ATOM 791 CE LYS A 54 -5.920 13.884 5.274 1.00 0.00 C ATOM 792 NZ LYS A 54 -7.213 13.610 4.657 1.00 0.00 N ATOM 0 H LYS A 54 -4.660 11.532 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.581 12.182 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.658 13.169 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.982 11.583 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.505 11.737 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.685 13.455 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.495 11.782 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.197 12.816 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.075 14.159 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.466 14.744 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.960 14.113 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.202 13.934 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.401 12.587 4.684 1.00 0.00 H new ATOM 805 N ALA A 55 -3.877 9.389 0.638 1.00 0.00 N ATOM 806 CA ALA A 55 -3.632 7.957 0.655 1.00 0.00 C ATOM 807 C ALA A 55 -2.588 7.636 1.727 1.00 0.00 C ATOM 808 O ALA A 55 -1.504 8.203 1.728 1.00 0.00 O ATOM 809 CB ALA A 55 -3.161 7.471 -0.707 1.00 0.00 C ATOM 0 H ALA A 55 -3.767 9.811 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.563 7.441 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.984 6.396 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.925 7.687 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.236 7.981 -0.976 1.00 0.00 H new ATOM 815 N ASP A 56 -2.983 6.694 2.623 1.00 0.00 N ATOM 816 CA ASP A 56 -2.103 6.292 3.707 1.00 0.00 C ATOM 817 C ASP A 56 -1.573 4.902 3.346 1.00 0.00 C ATOM 818 O ASP A 56 -0.452 4.756 2.875 1.00 0.00 O ATOM 819 CB ASP A 56 -2.856 6.363 5.053 1.00 0.00 C ATOM 820 CG ASP A 56 -1.953 5.981 6.243 1.00 0.00 C ATOM 821 OD1 ASP A 56 -1.172 6.825 6.683 1.00 0.00 O ATOM 822 OD2 ASP A 56 -2.040 4.847 6.714 1.00 0.00 O ATOM 0 H ASP A 56 -3.886 6.220 2.603 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.251 6.960 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.241 7.372 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.717 5.695 5.022 1.00 0.00 H new ATOM 827 N LEU A 57 -2.439 3.896 3.599 1.00 0.00 N ATOM 828 CA LEU A 57 -2.069 2.517 3.345 1.00 0.00 C ATOM 829 C LEU A 57 -2.280 2.268 1.849 1.00 0.00 C ATOM 830 O LEU A 57 -3.397 2.292 1.348 1.00 0.00 O ATOM 831 CB LEU A 57 -2.910 1.585 4.235 1.00 0.00 C ATOM 832 CG LEU A 57 -2.558 0.072 4.086 1.00 0.00 C ATOM 833 CD1 LEU A 57 -1.023 -0.142 4.193 1.00 0.00 C ATOM 834 CD2 LEU A 57 -3.546 -1.085 4.327 1.00 0.00 C ATOM 0 H LEU A 57 -3.379 4.025 3.972 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.027 2.314 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.776 1.877 5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.964 1.727 3.997 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.933 -0.178 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.795 -1.203 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.522 0.418 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.674 0.209 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.042 -2.036 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.906 -1.048 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.390 -0.991 3.643 1.00 0.00 H new ATOM 846 N ILE A 58 -1.131 2.023 1.176 1.00 0.00 N ATOM 847 CA ILE A 58 -1.155 1.768 -0.261 1.00 0.00 C ATOM 848 C ILE A 58 -1.037 0.246 -0.395 1.00 0.00 C ATOM 849 O ILE A 58 -0.100 -0.365 0.104 1.00 0.00 O ATOM 850 CB ILE A 58 -0.039 2.575 -1.010 1.00 0.00 C ATOM 851 CG1 ILE A 58 0.396 3.913 -0.377 1.00 0.00 C ATOM 852 CG2 ILE A 58 -0.144 2.272 -2.539 1.00 0.00 C ATOM 853 CD1 ILE A 58 -0.775 4.905 -0.409 1.00 0.00 C ATOM 0 H ILE A 58 -0.205 1.999 1.602 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.072 2.114 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 58 0.984 2.249 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.721 3.752 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.248 4.323 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.627 2.827 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.006 1.204 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.126 2.573 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.464 5.849 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.079 5.076 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.614 4.495 0.153 1.00 0.00 H new ATOM 865 N CYS A 59 -2.054 -0.316 -1.100 1.00 0.00 N ATOM 866 CA CYS A 59 -2.111 -1.756 -1.297 1.00 0.00 C ATOM 867 C CYS A 59 -2.706 -2.019 -2.683 1.00 0.00 C ATOM 868 O CYS A 59 -3.558 -1.308 -3.207 1.00 0.00 O ATOM 869 CB CYS A 59 -2.984 -2.415 -0.215 1.00 0.00 C ATOM 870 SG CYS A 59 -2.321 -2.179 1.445 1.00 0.00 S ATOM 0 H CYS A 59 -2.820 0.206 -1.525 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.110 -2.182 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.991 -2.001 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.068 -3.482 -0.421 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.903 -3.002 2.266 1.00 0.00 H new ATOM 876 N VAL A 60 -2.146 -3.114 -3.233 1.00 0.00 N ATOM 877 CA VAL A 60 -2.552 -3.645 -4.537 1.00 0.00 C ATOM 878 C VAL A 60 -2.543 -5.173 -4.366 1.00 0.00 C ATOM 879 O VAL A 60 -2.209 -5.649 -3.286 1.00 0.00 O ATOM 880 CB VAL A 60 -1.689 -3.165 -5.755 1.00 0.00 C ATOM 881 CG1 VAL A 60 -0.530 -2.216 -5.312 1.00 0.00 C ATOM 882 CG2 VAL A 60 -1.874 -3.702 -7.217 1.00 0.00 C ATOM 0 H VAL A 60 -1.403 -3.649 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.537 -3.261 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.212 -2.874 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.042 -1.908 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.947 -1.336 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.125 -2.741 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.157 -3.214 -7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.708 -4.779 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.886 -3.486 -7.558 1.00 0.00 H new ATOM 892 N SER A 61 -2.921 -5.931 -5.432 1.00 0.00 N ATOM 893 CA SER A 61 -2.900 -7.376 -5.262 1.00 0.00 C ATOM 894 C SER A 61 -2.373 -7.975 -6.554 1.00 0.00 C ATOM 895 O SER A 61 -3.098 -8.074 -7.536 1.00 0.00 O ATOM 896 CB SER A 61 -4.314 -7.921 -4.872 1.00 0.00 C ATOM 897 OG SER A 61 -5.446 -6.978 -4.724 1.00 0.00 O ATOM 0 H SER A 61 -3.219 -5.584 -6.344 1.00 0.00 H new ATOM 0 HA SER A 61 -2.246 -7.663 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.599 -8.657 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.209 -8.455 -3.928 1.00 0.00 H new ATOM 0 HG SER A 61 -5.322 -6.220 -5.332 1.00 0.00 H new ATOM 903 N SER A 62 -1.082 -8.390 -6.459 1.00 0.00 N ATOM 904 CA SER A 62 -0.390 -9.016 -7.577 1.00 0.00 C ATOM 905 C SER A 62 1.040 -9.282 -7.095 1.00 0.00 C ATOM 906 O SER A 62 1.468 -8.870 -6.025 1.00 0.00 O ATOM 907 CB SER A 62 -0.312 -8.078 -8.836 1.00 0.00 C ATOM 908 OG SER A 62 -1.521 -7.429 -9.385 1.00 0.00 O ATOM 0 H SER A 62 -0.516 -8.295 -5.616 1.00 0.00 H new ATOM 0 HA SER A 62 -0.926 -9.917 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.395 -7.283 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.128 -8.664 -9.643 1.00 0.00 H new ATOM 0 HG SER A 62 -2.319 -7.836 -8.989 1.00 0.00 H new ATOM 914 N LEU A 63 1.753 -9.987 -8.009 1.00 0.00 N ATOM 915 CA LEU A 63 3.142 -10.354 -7.844 1.00 0.00 C ATOM 916 C LEU A 63 3.935 -9.088 -8.245 1.00 0.00 C ATOM 917 O LEU A 63 3.470 -7.975 -8.027 1.00 0.00 O ATOM 918 CB LEU A 63 3.465 -11.596 -8.695 1.00 0.00 C ATOM 919 CG LEU A 63 2.672 -12.867 -8.252 1.00 0.00 C ATOM 920 CD1 LEU A 63 2.983 -14.019 -9.250 1.00 0.00 C ATOM 921 CD2 LEU A 63 2.124 -13.117 -6.824 1.00 0.00 C ATOM 0 H LEU A 63 1.352 -10.312 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 63 3.403 -10.646 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.241 -11.381 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.534 -11.803 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 63 1.614 -12.603 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.436 -14.914 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.678 -13.723 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.053 -14.228 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.613 -14.079 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.950 -13.122 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.423 -12.325 -6.560 1.00 0.00 H new ATOM 933 N TYR A 64 5.142 -9.291 -8.839 1.00 0.00 N ATOM 934 CA TYR A 64 5.948 -8.169 -9.278 1.00 0.00 C ATOM 935 C TYR A 64 5.402 -7.791 -10.659 1.00 0.00 C ATOM 936 O TYR A 64 5.801 -8.316 -11.692 1.00 0.00 O ATOM 937 CB TYR A 64 7.470 -8.468 -9.322 1.00 0.00 C ATOM 938 CG TYR A 64 8.188 -8.007 -8.075 1.00 0.00 C ATOM 939 CD1 TYR A 64 8.112 -6.679 -7.674 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.918 -8.894 -7.296 1.00 0.00 C ATOM 941 CE1 TYR A 64 8.708 -6.246 -6.500 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.532 -8.474 -6.123 1.00 0.00 C ATOM 943 CZ TYR A 64 9.421 -7.145 -5.699 1.00 0.00 C ATOM 944 OH TYR A 64 9.953 -6.747 -4.473 1.00 0.00 O ATOM 0 H TYR A 64 5.553 -10.208 -9.013 1.00 0.00 H new ATOM 0 HA TYR A 64 5.870 -7.349 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.623 -9.540 -9.450 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.908 -7.978 -10.191 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.578 -5.970 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.010 -9.924 -7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.622 -5.211 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.100 -9.179 -5.533 1.00 0.00 H new ATOM 0 HH TYR A 64 9.738 -5.804 -4.314 1.00 0.00 H new ATOM 954 N GLY A 65 4.460 -6.831 -10.570 1.00 0.00 N ATOM 955 CA GLY A 65 3.771 -6.246 -11.712 1.00 0.00 C ATOM 956 C GLY A 65 4.071 -4.741 -11.752 1.00 0.00 C ATOM 957 O GLY A 65 4.106 -4.115 -12.804 1.00 0.00 O ATOM 0 H GLY A 65 4.158 -6.440 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.101 -6.721 -12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.697 -6.415 -11.632 1.00 0.00 H new ATOM 961 N GLN A 66 4.297 -4.223 -10.522 1.00 0.00 N ATOM 962 CA GLN A 66 4.618 -2.827 -10.289 1.00 0.00 C ATOM 963 C GLN A 66 6.145 -2.676 -10.444 1.00 0.00 C ATOM 964 O GLN A 66 6.656 -1.606 -10.753 1.00 0.00 O ATOM 965 CB GLN A 66 4.072 -2.408 -8.908 1.00 0.00 C ATOM 966 CG GLN A 66 4.755 -3.115 -7.722 1.00 0.00 C ATOM 967 CD GLN A 66 4.144 -2.656 -6.391 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.156 -3.201 -5.915 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.801 -1.624 -5.827 1.00 0.00 N ATOM 0 H GLN A 66 4.257 -4.780 -9.668 1.00 0.00 H new ATOM 0 HA GLN A 66 4.148 -2.156 -11.007 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.192 -1.331 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.002 -2.615 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.646 -4.195 -7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.824 -2.900 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.618 -1.226 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.481 -1.241 -4.937 1.00 0.00 H new ATOM 978 N GLY A 67 6.833 -3.812 -10.220 1.00 0.00 N ATOM 979 CA GLY A 67 8.283 -3.871 -10.330 1.00 0.00 C ATOM 980 C GLY A 67 8.968 -3.469 -9.021 1.00 0.00 C ATOM 981 O GLY A 67 8.338 -3.117 -8.032 1.00 0.00 O ATOM 0 H GLY A 67 6.397 -4.697 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.586 -4.882 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.614 -3.211 -11.132 1.00 0.00 H new ATOM 985 N GLU A 68 10.314 -3.544 -9.114 1.00 0.00 N ATOM 986 CA GLU A 68 11.199 -3.224 -8.006 1.00 0.00 C ATOM 987 C GLU A 68 11.339 -1.688 -7.927 1.00 0.00 C ATOM 988 O GLU A 68 11.840 -1.164 -6.941 1.00 0.00 O ATOM 989 CB GLU A 68 12.580 -3.867 -8.228 1.00 0.00 C ATOM 990 CG GLU A 68 12.521 -5.392 -8.424 1.00 0.00 C ATOM 991 CD GLU A 68 13.910 -5.984 -8.741 1.00 0.00 C ATOM 992 OE1 GLU A 68 14.893 -5.565 -8.128 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.995 -6.862 -9.599 1.00 0.00 O ATOM 0 H GLU A 68 10.802 -3.829 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 68 10.786 -3.612 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.047 -3.414 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.218 -3.643 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.124 -5.859 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.832 -5.628 -9.235 1.00 0.00 H new ATOM 1000 N ILE A 69 10.882 -0.997 -8.998 1.00 0.00 N ATOM 1001 CA ILE A 69 10.960 0.454 -9.077 1.00 0.00 C ATOM 1002 C ILE A 69 9.845 1.001 -8.179 1.00 0.00 C ATOM 1003 O ILE A 69 10.069 1.865 -7.340 1.00 0.00 O ATOM 1004 CB ILE A 69 10.816 0.933 -10.562 1.00 0.00 C ATOM 1005 CG1 ILE A 69 11.244 -0.055 -11.679 1.00 0.00 C ATOM 1006 CG2 ILE A 69 10.738 2.493 -10.603 1.00 0.00 C ATOM 1007 CD1 ILE A 69 12.751 -0.327 -11.595 1.00 0.00 C ATOM 0 H ILE A 69 10.457 -1.437 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 69 11.927 0.824 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 69 9.905 0.773 -11.139 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.692 -0.990 -11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.996 0.359 -12.656 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.638 2.825 -11.636 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.875 2.829 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.647 2.914 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.040 -1.022 -12.384 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.297 0.608 -11.717 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.989 -0.761 -10.624 1.00 0.00 H new ATOM 1019 N ASP A 70 8.635 0.435 -8.397 1.00 0.00 N ATOM 1020 CA ASP A 70 7.478 0.854 -7.619 1.00 0.00 C ATOM 1021 C ASP A 70 7.641 0.289 -6.198 1.00 0.00 C ATOM 1022 O ASP A 70 6.981 0.748 -5.273 1.00 0.00 O ATOM 1023 CB ASP A 70 6.172 0.391 -8.283 1.00 0.00 C ATOM 1024 CG ASP A 70 5.897 1.057 -9.653 1.00 0.00 C ATOM 1025 OD1 ASP A 70 6.714 1.848 -10.127 1.00 0.00 O ATOM 1026 OD2 ASP A 70 4.849 0.776 -10.234 1.00 0.00 O ATOM 0 H ASP A 70 8.451 -0.292 -9.088 1.00 0.00 H new ATOM 0 HA ASP A 70 7.420 1.941 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.206 -0.690 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.339 0.604 -7.613 1.00 0.00 H new ATOM 1031 N CYS A 71 8.548 -0.714 -6.057 1.00 0.00 N ATOM 1032 CA CYS A 71 8.814 -1.283 -4.746 1.00 0.00 C ATOM 1033 C CYS A 71 9.607 -0.196 -3.998 1.00 0.00 C ATOM 1034 O CYS A 71 9.334 0.093 -2.842 1.00 0.00 O ATOM 1035 CB CYS A 71 9.568 -2.620 -4.844 1.00 0.00 C ATOM 1036 SG CYS A 71 9.499 -3.599 -3.326 1.00 0.00 S ATOM 0 H CYS A 71 9.084 -1.123 -6.822 1.00 0.00 H new ATOM 0 HA CYS A 71 7.898 -1.537 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 71 9.150 -3.205 -5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 71 10.611 -2.423 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 71 10.594 -3.425 -2.647 1.00 0.00 H new ATOM 1042 N LYS A 72 10.563 0.423 -4.747 1.00 0.00 N ATOM 1043 CA LYS A 72 11.394 1.498 -4.211 1.00 0.00 C ATOM 1044 C LYS A 72 10.700 2.842 -4.472 1.00 0.00 C ATOM 1045 O LYS A 72 11.326 3.893 -4.451 1.00 0.00 O ATOM 1046 CB LYS A 72 12.791 1.515 -4.865 1.00 0.00 C ATOM 1047 CG LYS A 72 13.647 0.294 -4.531 1.00 0.00 C ATOM 1048 CD LYS A 72 15.044 0.373 -5.170 1.00 0.00 C ATOM 1049 CE LYS A 72 15.048 0.062 -6.673 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.840 -1.353 -6.961 1.00 0.00 N ATOM 0 H LYS A 72 10.763 0.185 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 72 11.522 1.330 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.674 1.579 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.319 2.414 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.748 0.208 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.142 -0.608 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.451 1.372 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.708 -0.326 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.268 0.645 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.999 0.379 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.241 -1.580 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.309 -1.928 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.821 -1.561 -6.963 1.00 0.00 H new ATOM 1063 N GLY A 73 9.389 2.749 -4.709 1.00 0.00 N ATOM 1064 CA GLY A 73 8.545 3.900 -4.976 1.00 0.00 C ATOM 1065 C GLY A 73 7.835 4.348 -3.696 1.00 0.00 C ATOM 1066 O GLY A 73 7.605 5.529 -3.470 1.00 0.00 O ATOM 0 H GLY A 73 8.886 1.862 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.148 4.718 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.809 3.650 -5.740 1.00 0.00 H new ATOM 1070 N LEU A 74 7.515 3.318 -2.880 1.00 0.00 N ATOM 1071 CA LEU A 74 6.845 3.528 -1.609 1.00 0.00 C ATOM 1072 C LEU A 74 7.944 3.734 -0.555 1.00 0.00 C ATOM 1073 O LEU A 74 7.713 4.350 0.478 1.00 0.00 O ATOM 1074 CB LEU A 74 5.920 2.338 -1.297 1.00 0.00 C ATOM 1075 CG LEU A 74 4.875 2.076 -2.459 1.00 0.00 C ATOM 1076 CD1 LEU A 74 3.926 0.880 -2.866 1.00 0.00 C ATOM 1077 CD2 LEU A 74 3.961 3.324 -2.488 1.00 0.00 C ATOM 0 H LEU A 74 7.716 2.341 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 74 6.200 4.406 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.522 1.442 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.386 2.528 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 74 5.665 1.756 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.367 1.148 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.525 -0.009 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.230 0.675 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.213 3.209 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.463 3.433 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.562 4.211 -2.688 1.00 0.00 H new ATOM 1089 N ARG A 75 9.152 3.208 -0.866 1.00 0.00 N ATOM 1090 CA ARG A 75 10.289 3.373 0.032 1.00 0.00 C ATOM 1091 C ARG A 75 10.768 4.827 -0.167 1.00 0.00 C ATOM 1092 O ARG A 75 11.334 5.436 0.731 1.00 0.00 O ATOM 1093 CB ARG A 75 11.403 2.359 -0.296 1.00 0.00 C ATOM 1094 CG ARG A 75 10.912 0.903 -0.292 1.00 0.00 C ATOM 1095 CD ARG A 75 10.832 0.246 1.097 1.00 0.00 C ATOM 1096 NE ARG A 75 9.666 -0.634 1.244 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.247 -1.543 0.327 1.00 0.00 C ATOM 1098 NH1 ARG A 75 9.946 -1.819 -0.769 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.105 -2.191 0.520 1.00 0.00 N ATOM 0 H ARG A 75 9.350 2.679 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 75 10.014 3.188 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.822 2.592 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.209 2.466 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.924 0.868 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.577 0.310 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.740 -0.330 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.793 1.024 1.860 1.00 0.00 H new ATOM 0 HE ARG A 75 9.126 -0.556 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.830 -1.341 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.598 -2.509 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.548 -2.005 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.785 -2.875 -0.165 1.00 0.00 H new ATOM 1113 N GLU A 76 10.486 5.338 -1.394 1.00 0.00 N ATOM 1114 CA GLU A 76 10.829 6.692 -1.785 1.00 0.00 C ATOM 1115 C GLU A 76 9.746 7.628 -1.214 1.00 0.00 C ATOM 1116 O GLU A 76 10.014 8.802 -1.011 1.00 0.00 O ATOM 1117 CB GLU A 76 10.927 6.782 -3.318 1.00 0.00 C ATOM 1118 CG GLU A 76 11.205 8.199 -3.844 1.00 0.00 C ATOM 1119 CD GLU A 76 11.366 8.182 -5.374 1.00 0.00 C ATOM 1120 OE1 GLU A 76 10.354 8.226 -6.073 1.00 0.00 O ATOM 1121 OE2 GLU A 76 12.500 8.125 -5.849 1.00 0.00 O ATOM 0 H GLU A 76 10.014 4.807 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 76 11.800 6.989 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.719 6.116 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.996 6.420 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.387 8.864 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.109 8.595 -3.381 1.00 0.00 H new ATOM 1128 N LYS A 77 8.534 7.069 -0.963 1.00 0.00 N ATOM 1129 CA LYS A 77 7.405 7.807 -0.420 1.00 0.00 C ATOM 1130 C LYS A 77 7.633 8.018 1.100 1.00 0.00 C ATOM 1131 O LYS A 77 7.000 8.859 1.726 1.00 0.00 O ATOM 1132 CB LYS A 77 6.120 6.994 -0.678 1.00 0.00 C ATOM 1133 CG LYS A 77 4.809 7.726 -0.366 1.00 0.00 C ATOM 1134 CD LYS A 77 3.619 6.759 -0.342 1.00 0.00 C ATOM 1135 CE LYS A 77 2.291 7.460 -0.052 1.00 0.00 C ATOM 1136 NZ LYS A 77 1.780 8.202 -1.194 1.00 0.00 N ATOM 0 H LYS A 77 8.330 6.085 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 77 7.307 8.782 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.107 6.689 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.160 6.083 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.891 8.228 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.636 8.500 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.553 6.248 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.794 5.994 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.553 6.718 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.422 8.142 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.009 8.827 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.545 8.773 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.421 7.536 -1.908 1.00 0.00 H new ATOM 1149 N CYS A 78 8.554 7.204 1.660 1.00 0.00 N ATOM 1150 CA CYS A 78 8.888 7.234 3.079 1.00 0.00 C ATOM 1151 C CYS A 78 10.017 8.216 3.254 1.00 0.00 C ATOM 1152 O CYS A 78 10.052 9.066 4.135 1.00 0.00 O ATOM 1153 CB CYS A 78 9.183 5.825 3.611 1.00 0.00 C ATOM 1154 SG CYS A 78 7.776 4.718 3.359 1.00 0.00 S ATOM 0 H CYS A 78 9.081 6.510 1.130 1.00 0.00 H new ATOM 0 HA CYS A 78 8.046 7.573 3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 78 10.061 5.421 3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.421 5.878 4.673 1.00 0.00 H new ATOM 0 HG CYS A 78 7.823 4.222 2.158 1.00 0.00 H new ATOM 1160 N ASP A 79 10.910 8.016 2.288 1.00 0.00 N ATOM 1161 CA ASP A 79 12.110 8.786 2.102 1.00 0.00 C ATOM 1162 C ASP A 79 11.731 10.147 1.495 1.00 0.00 C ATOM 1163 O ASP A 79 12.576 11.007 1.275 1.00 0.00 O ATOM 1164 CB ASP A 79 13.177 7.988 1.328 1.00 0.00 C ATOM 1165 CG ASP A 79 14.548 8.689 1.337 1.00 0.00 C ATOM 1166 OD1 ASP A 79 15.202 8.688 2.379 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.946 9.226 0.303 1.00 0.00 O ATOM 0 H ASP A 79 10.801 7.279 1.591 1.00 0.00 H new ATOM 0 HA ASP A 79 12.593 8.995 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.276 6.995 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.848 7.849 0.298 1.00 0.00 H new ATOM 1172 N GLU A 80 10.415 10.292 1.267 1.00 0.00 N ATOM 1173 CA GLU A 80 9.821 11.505 0.756 1.00 0.00 C ATOM 1174 C GLU A 80 9.716 12.407 1.978 1.00 0.00 C ATOM 1175 O GLU A 80 10.178 13.541 2.001 1.00 0.00 O ATOM 1176 CB GLU A 80 8.436 11.298 0.106 1.00 0.00 C ATOM 1177 CG GLU A 80 7.788 12.588 -0.424 1.00 0.00 C ATOM 1178 CD GLU A 80 8.614 13.210 -1.561 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.494 12.750 -2.696 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.368 14.148 -1.299 1.00 0.00 O ATOM 0 H GLU A 80 9.737 9.550 1.440 1.00 0.00 H new ATOM 0 HA GLU A 80 10.427 11.922 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.536 10.590 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.768 10.844 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.782 12.370 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.688 13.307 0.389 1.00 0.00 H new ATOM 1187 N ALA A 81 9.061 11.782 2.983 1.00 0.00 N ATOM 1188 CA ALA A 81 8.805 12.390 4.283 1.00 0.00 C ATOM 1189 C ALA A 81 7.927 13.631 4.043 1.00 0.00 C ATOM 1190 O ALA A 81 8.121 14.689 4.629 1.00 0.00 O ATOM 1191 CB ALA A 81 10.114 12.708 5.030 1.00 0.00 C ATOM 0 H ALA A 81 8.697 10.833 2.901 1.00 0.00 H new ATOM 0 HA ALA A 81 8.276 11.697 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.882 13.160 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.676 11.788 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.711 13.402 4.438 1.00 0.00 H new ATOM 1197 N GLY A 82 6.958 13.408 3.132 1.00 0.00 N ATOM 1198 CA GLY A 82 5.991 14.414 2.719 1.00 0.00 C ATOM 1199 C GLY A 82 4.674 13.700 2.418 1.00 0.00 C ATOM 1200 O GLY A 82 3.602 14.098 2.857 1.00 0.00 O ATOM 0 H GLY A 82 6.834 12.510 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.852 15.156 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.347 14.947 1.837 1.00 0.00 H new ATOM 1204 N LEU A 83 4.852 12.607 1.643 1.00 0.00 N ATOM 1205 CA LEU A 83 3.745 11.753 1.265 1.00 0.00 C ATOM 1206 C LEU A 83 3.664 10.735 2.405 1.00 0.00 C ATOM 1207 O LEU A 83 4.590 9.978 2.669 1.00 0.00 O ATOM 1208 CB LEU A 83 4.021 11.066 -0.078 1.00 0.00 C ATOM 1209 CG LEU A 83 4.015 12.044 -1.296 1.00 0.00 C ATOM 1210 CD1 LEU A 83 4.588 11.291 -2.533 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.065 13.255 -1.420 1.00 0.00 C ATOM 0 H LEU A 83 5.757 12.311 1.276 1.00 0.00 H new ATOM 0 HA LEU A 83 2.812 12.301 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.989 10.567 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.271 10.292 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 83 4.651 12.894 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.592 11.958 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.606 10.965 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.967 10.422 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.259 13.775 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.031 12.910 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.233 13.936 -0.586 1.00 0.00 H new ATOM 1223 N LYS A 84 2.489 10.791 3.059 1.00 0.00 N ATOM 1224 CA LYS A 84 2.187 9.933 4.191 1.00 0.00 C ATOM 1225 C LYS A 84 1.836 8.563 3.605 1.00 0.00 C ATOM 1226 O LYS A 84 0.824 8.384 2.942 1.00 0.00 O ATOM 1227 CB LYS A 84 1.044 10.546 5.029 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.239 10.864 4.232 1.00 0.00 C ATOM 1229 CD LYS A 84 -1.419 9.950 4.580 1.00 0.00 C ATOM 1230 CE LYS A 84 -2.156 10.367 5.855 1.00 0.00 C ATOM 1231 NZ LYS A 84 -3.491 9.791 5.919 1.00 0.00 N ATOM 0 H LYS A 84 1.735 11.432 2.810 1.00 0.00 H new ATOM 0 HA LYS A 84 3.029 9.830 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.793 9.857 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.404 11.464 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.525 11.899 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.026 10.778 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.123 9.945 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.056 8.929 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.582 10.052 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.227 11.454 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.131 10.452 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.840 9.615 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.457 8.894 6.444 1.00 0.00 H new ATOM 1244 N GLY A 85 2.748 7.611 3.886 1.00 0.00 N ATOM 1245 CA GLY A 85 2.533 6.263 3.390 1.00 0.00 C ATOM 1246 C GLY A 85 3.711 5.358 3.734 1.00 0.00 C ATOM 1247 O GLY A 85 4.361 4.783 2.869 1.00 0.00 O ATOM 0 H GLY A 85 3.599 7.752 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.619 5.855 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.393 6.288 2.309 1.00 0.00 H new ATOM 1251 N ILE A 86 3.924 5.278 5.066 1.00 0.00 N ATOM 1252 CA ILE A 86 4.971 4.439 5.629 1.00 0.00 C ATOM 1253 C ILE A 86 4.340 3.063 5.914 1.00 0.00 C ATOM 1254 O ILE A 86 5.004 2.158 6.403 1.00 0.00 O ATOM 1255 CB ILE A 86 5.594 5.089 6.894 1.00 0.00 C ATOM 1256 CG1 ILE A 86 6.865 5.956 6.512 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.460 5.311 7.969 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.601 6.632 7.690 1.00 0.00 C ATOM 0 H ILE A 86 3.378 5.789 5.760 1.00 0.00 H new ATOM 0 HA ILE A 86 5.800 4.323 4.931 1.00 0.00 H new ATOM 0 HB ILE A 86 6.213 4.566 7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.573 5.315 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.555 6.730 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.889 5.767 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.693 5.968 7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.014 4.352 8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.452 7.197 7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.918 7.307 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.952 5.870 8.385 1.00 0.00 H new ATOM 1270 N LYS A 87 3.032 2.960 5.575 1.00 0.00 N ATOM 1271 CA LYS A 87 2.262 1.751 5.748 1.00 0.00 C ATOM 1272 C LYS A 87 1.963 1.304 4.315 1.00 0.00 C ATOM 1273 O LYS A 87 1.313 2.010 3.553 1.00 0.00 O ATOM 1274 CB LYS A 87 0.951 2.048 6.496 1.00 0.00 C ATOM 1275 CG LYS A 87 1.085 2.927 7.750 1.00 0.00 C ATOM 1276 CD LYS A 87 1.888 2.277 8.881 1.00 0.00 C ATOM 1277 CE LYS A 87 1.974 3.169 10.122 1.00 0.00 C ATOM 1278 NZ LYS A 87 2.757 2.557 11.188 1.00 0.00 N ATOM 0 H LYS A 87 2.498 3.731 5.173 1.00 0.00 H new ATOM 0 HA LYS A 87 2.788 0.995 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.262 2.534 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.496 1.101 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.562 3.867 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.089 3.171 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.427 1.327 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.894 2.054 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.420 4.125 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.968 3.379 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.788 3.197 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.318 1.657 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.725 2.380 10.850 1.00 0.00 H new ATOM 1291 N LEU A 88 2.489 0.106 3.998 1.00 0.00 N ATOM 1292 CA LEU A 88 2.285 -0.464 2.673 1.00 0.00 C ATOM 1293 C LEU A 88 2.052 -1.946 2.923 1.00 0.00 C ATOM 1294 O LEU A 88 2.906 -2.602 3.506 1.00 0.00 O ATOM 1295 CB LEU A 88 3.529 -0.276 1.786 1.00 0.00 C ATOM 1296 CG LEU A 88 4.033 1.194 1.728 1.00 0.00 C ATOM 1297 CD1 LEU A 88 3.077 2.064 0.868 1.00 0.00 C ATOM 1298 CD2 LEU A 88 5.248 1.756 2.523 1.00 0.00 C ATOM 0 H LEU A 88 3.045 -0.468 4.632 1.00 0.00 H new ATOM 0 HA LEU A 88 1.456 0.017 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.331 -0.912 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.299 -0.613 0.775 1.00 0.00 H new ATOM 0 HG LEU A 88 5.110 1.356 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.446 3.089 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.034 1.665 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.079 2.050 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.375 2.814 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.071 1.636 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.150 1.212 2.241 1.00 0.00 H new ATOM 1310 N PHE A 89 0.877 -2.453 2.471 1.00 0.00 N ATOM 1311 CA PHE A 89 0.628 -3.875 2.662 1.00 0.00 C ATOM 1312 C PHE A 89 0.851 -4.415 1.245 1.00 0.00 C ATOM 1313 O PHE A 89 0.182 -4.064 0.279 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.732 -4.171 3.329 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.677 -5.254 4.391 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.235 -6.308 4.327 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.577 -5.240 5.451 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.203 -7.340 5.252 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.575 -6.249 6.404 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.698 -7.311 6.299 1.00 0.00 C ATOM 0 H PHE A 89 0.140 -1.926 2.003 1.00 0.00 H new ATOM 0 HA PHE A 89 1.279 -4.373 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.111 -3.254 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.445 -4.467 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.978 -6.320 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.288 -4.432 5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.886 -8.171 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.264 -6.203 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.716 -8.109 7.027 1.00 0.00 H new ATOM 1330 N VAL A 90 1.883 -5.272 1.218 1.00 0.00 N ATOM 1331 CA VAL A 90 2.401 -5.878 0.015 1.00 0.00 C ATOM 1332 C VAL A 90 1.658 -7.179 -0.227 1.00 0.00 C ATOM 1333 O VAL A 90 2.021 -8.267 0.206 1.00 0.00 O ATOM 1334 CB VAL A 90 3.951 -6.055 0.161 1.00 0.00 C ATOM 1335 CG1 VAL A 90 4.504 -6.818 -1.077 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.859 -5.072 0.931 1.00 0.00 C ATOM 0 H VAL A 90 2.382 -5.560 2.060 1.00 0.00 H new ATOM 0 HA VAL A 90 2.240 -5.250 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 90 4.057 -6.655 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.582 -6.942 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.031 -7.798 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.287 -6.250 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.892 -5.418 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.788 -4.082 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.540 -5.021 1.972 1.00 0.00 H new ATOM 1346 N GLY A 91 0.569 -6.941 -0.969 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.292 -8.033 -1.366 1.00 0.00 C ATOM 1348 C GLY A 91 0.439 -8.914 -2.380 1.00 0.00 C ATOM 1349 O GLY A 91 0.638 -8.534 -3.526 1.00 0.00 O ATOM 0 H GLY A 91 0.278 -6.019 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.576 -8.622 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.212 -7.645 -1.802 1.00 0.00 H new ATOM 1353 N GLY A 92 0.807 -10.113 -1.871 1.00 0.00 N ATOM 1354 CA GLY A 92 1.549 -11.063 -2.684 1.00 0.00 C ATOM 1355 C GLY A 92 2.955 -10.488 -2.862 1.00 0.00 C ATOM 1356 O GLY A 92 3.644 -10.204 -1.890 1.00 0.00 O ATOM 0 H GLY A 92 0.601 -10.427 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.589 -12.039 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.065 -11.206 -3.650 1.00 0.00 H new ATOM 1360 N ASN A 93 3.317 -10.321 -4.155 1.00 0.00 N ATOM 1361 CA ASN A 93 4.591 -9.742 -4.557 1.00 0.00 C ATOM 1362 C ASN A 93 5.702 -10.727 -4.191 1.00 0.00 C ATOM 1363 O ASN A 93 5.651 -11.433 -3.191 1.00 0.00 O ATOM 1364 CB ASN A 93 4.803 -8.359 -3.902 1.00 0.00 C ATOM 1365 CG ASN A 93 5.757 -7.455 -4.694 1.00 0.00 C ATOM 1366 OD1 ASN A 93 5.736 -7.412 -5.917 1.00 0.00 O ATOM 1367 ND2 ASN A 93 6.579 -6.733 -3.911 1.00 0.00 N ATOM 0 H ASN A 93 2.723 -10.589 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 93 4.604 -9.574 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.839 -7.860 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.196 -8.498 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.250 -6.090 -4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.532 -6.829 -2.897 1.00 0.00 H new ATOM 1374 N ILE A 94 6.720 -10.705 -5.079 1.00 0.00 N ATOM 1375 CA ILE A 94 7.922 -11.513 -4.935 1.00 0.00 C ATOM 1376 C ILE A 94 7.485 -12.978 -4.818 1.00 0.00 C ATOM 1377 O ILE A 94 7.395 -13.545 -3.735 1.00 0.00 O ATOM 1378 CB ILE A 94 8.802 -11.007 -3.741 1.00 0.00 C ATOM 1379 CG1 ILE A 94 8.376 -9.677 -3.052 1.00 0.00 C ATOM 1380 CG2 ILE A 94 10.170 -11.756 -3.743 1.00 0.00 C ATOM 1381 CD1 ILE A 94 9.417 -9.063 -2.116 1.00 0.00 C ATOM 0 H ILE A 94 6.718 -10.120 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 94 8.570 -11.422 -5.807 1.00 0.00 H new ATOM 0 HB ILE A 94 8.662 -11.177 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.132 -8.948 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.463 -9.857 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.780 -11.402 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.998 -12.827 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.689 -11.563 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.023 -8.141 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.646 -9.766 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.326 -8.843 -2.677 1.00 0.00 H new ATOM 1393 N VAL A 95 7.234 -13.541 -6.020 1.00 0.00 N ATOM 1394 CA VAL A 95 6.798 -14.925 -6.149 1.00 0.00 C ATOM 1395 C VAL A 95 7.926 -15.841 -5.650 1.00 0.00 C ATOM 1396 O VAL A 95 9.094 -15.469 -5.632 1.00 0.00 O ATOM 1397 CB VAL A 95 6.423 -15.220 -7.637 1.00 0.00 C ATOM 1398 CG1 VAL A 95 5.255 -16.250 -7.700 1.00 0.00 C ATOM 1399 CG2 VAL A 95 6.883 -14.322 -8.820 1.00 0.00 C ATOM 0 H VAL A 95 7.330 -13.048 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 95 5.909 -15.110 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 95 7.248 -15.628 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.001 -16.449 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.562 -17.178 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.384 -15.844 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.499 -14.728 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.501 -13.311 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.972 -14.296 -8.855 1.00 0.00 H new ATOM 1409 N VAL A 96 7.477 -17.048 -5.234 1.00 0.00 N ATOM 1410 CA VAL A 96 8.313 -18.114 -4.694 1.00 0.00 C ATOM 1411 C VAL A 96 9.312 -17.584 -3.646 1.00 0.00 C ATOM 1412 O VAL A 96 10.512 -17.821 -3.705 1.00 0.00 O ATOM 1413 CB VAL A 96 8.952 -18.983 -5.828 1.00 0.00 C ATOM 1414 CG1 VAL A 96 9.851 -18.139 -6.785 1.00 0.00 C ATOM 1415 CG2 VAL A 96 8.935 -20.540 -5.908 1.00 0.00 C ATOM 0 H VAL A 96 6.490 -17.302 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 96 7.672 -18.803 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 96 8.072 -19.530 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.271 -18.786 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.251 -17.360 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.659 -17.681 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 96 9.457 -20.864 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.432 -20.955 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.904 -20.891 -5.941 1.00 0.00 H new ATOM 1425 N GLY A 97 8.703 -16.852 -2.688 1.00 0.00 N ATOM 1426 CA GLY A 97 9.445 -16.246 -1.595 1.00 0.00 C ATOM 1427 C GLY A 97 8.471 -15.866 -0.476 1.00 0.00 C ATOM 1428 O GLY A 97 7.378 -15.368 -0.721 1.00 0.00 O ATOM 0 H GLY A 97 7.699 -16.675 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.196 -16.941 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.977 -15.362 -1.947 1.00 0.00 H new ATOM 1432 N LYS A 98 8.939 -16.147 0.759 1.00 0.00 N ATOM 1433 CA LYS A 98 8.153 -15.858 1.948 1.00 0.00 C ATOM 1434 C LYS A 98 9.133 -16.008 3.112 1.00 0.00 C ATOM 1435 O LYS A 98 9.969 -16.903 3.128 1.00 0.00 O ATOM 1436 CB LYS A 98 6.960 -16.826 2.088 1.00 0.00 C ATOM 1437 CG LYS A 98 6.095 -16.538 3.326 1.00 0.00 C ATOM 1438 CD LYS A 98 4.832 -17.407 3.400 1.00 0.00 C ATOM 1439 CE LYS A 98 5.118 -18.901 3.598 1.00 0.00 C ATOM 1440 NZ LYS A 98 5.811 -19.190 4.847 1.00 0.00 N ATOM 0 H LYS A 98 9.849 -16.569 0.944 1.00 0.00 H new ATOM 0 HA LYS A 98 7.713 -14.861 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.339 -16.760 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.333 -17.849 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.692 -16.700 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.805 -15.487 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.208 -17.054 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.258 -17.275 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.177 -19.451 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.719 -19.263 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.871 -20.220 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.770 -18.789 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.287 -18.768 5.640 1.00 0.00 H new ATOM 1453 N GLN A 99 8.959 -15.064 4.069 1.00 0.00 N ATOM 1454 CA GLN A 99 9.746 -14.965 5.293 1.00 0.00 C ATOM 1455 C GLN A 99 11.066 -14.299 4.890 1.00 0.00 C ATOM 1456 O GLN A 99 11.257 -13.102 5.066 1.00 0.00 O ATOM 1457 CB GLN A 99 9.872 -16.315 6.046 1.00 0.00 C ATOM 1458 CG GLN A 99 10.443 -16.195 7.471 1.00 0.00 C ATOM 1459 CD GLN A 99 11.947 -15.886 7.477 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.376 -14.776 7.767 1.00 0.00 O ATOM 1461 NE2 GLN A 99 12.710 -16.941 7.139 1.00 0.00 N ATOM 0 H GLN A 99 8.246 -14.338 3.996 1.00 0.00 H new ATOM 0 HA GLN A 99 9.254 -14.350 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.888 -16.781 6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.510 -16.983 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.912 -15.409 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.264 -17.125 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.273 -17.834 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.725 -16.848 7.111 1.00 0.00 H new ATOM 1470 N ASN A 100 11.960 -15.155 4.350 1.00 0.00 N ATOM 1471 CA ASN A 100 13.266 -14.724 3.889 1.00 0.00 C ATOM 1472 C ASN A 100 13.032 -14.278 2.442 1.00 0.00 C ATOM 1473 O ASN A 100 12.675 -15.064 1.572 1.00 0.00 O ATOM 1474 CB ASN A 100 14.305 -15.856 4.031 1.00 0.00 C ATOM 1475 CG ASN A 100 13.849 -17.185 3.398 1.00 0.00 C ATOM 1476 OD1 ASN A 100 13.035 -17.915 3.951 1.00 0.00 O ATOM 1477 ND2 ASN A 100 14.434 -17.446 2.215 1.00 0.00 N ATOM 0 H ASN A 100 11.784 -16.152 4.229 1.00 0.00 H new ATOM 0 HA ASN A 100 13.685 -13.908 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 100 15.240 -15.542 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.513 -16.018 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.208 -18.304 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.103 -16.785 1.820 1.00 0.00 H new ATOM 1484 N TRP A 101 13.242 -12.958 2.260 1.00 0.00 N ATOM 1485 CA TRP A 101 13.054 -12.340 0.960 1.00 0.00 C ATOM 1486 C TRP A 101 14.445 -12.315 0.305 1.00 0.00 C ATOM 1487 O TRP A 101 15.453 -12.450 0.989 1.00 0.00 O ATOM 1488 CB TRP A 101 12.491 -10.921 1.142 1.00 0.00 C ATOM 1489 CG TRP A 101 11.155 -10.991 1.850 1.00 0.00 C ATOM 1490 CD1 TRP A 101 10.896 -10.592 3.164 1.00 0.00 C ATOM 1491 CD2 TRP A 101 9.910 -11.486 1.320 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.590 -10.815 3.449 1.00 0.00 N ATOM 1493 CE2 TRP A 101 8.945 -11.361 2.347 1.00 0.00 C ATOM 1494 CE3 TRP A 101 9.553 -12.002 0.103 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.655 -11.760 2.124 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.239 -12.405 -0.127 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.288 -12.285 0.885 1.00 0.00 C ATOM 0 H TRP A 101 13.538 -12.318 2.997 1.00 0.00 H new ATOM 0 HA TRP A 101 12.345 -12.885 0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.188 -10.314 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.375 -10.438 0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.622 -10.172 3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.145 -10.611 4.344 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.291 -12.097 -0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.919 -11.668 2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.958 -12.810 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.269 -12.598 0.710 1.00 0.00 H new ATOM 1508 N PRO A 102 14.476 -12.137 -1.053 1.00 0.00 N ATOM 1509 CA PRO A 102 15.735 -12.088 -1.799 1.00 0.00 C ATOM 1510 C PRO A 102 16.490 -10.787 -1.425 1.00 0.00 C ATOM 1511 O PRO A 102 16.358 -10.237 -0.337 1.00 0.00 O ATOM 1512 CB PRO A 102 15.303 -12.139 -3.290 1.00 0.00 C ATOM 1513 CG PRO A 102 13.828 -12.534 -3.295 1.00 0.00 C ATOM 1514 CD PRO A 102 13.295 -12.140 -1.920 1.00 0.00 C ATOM 0 HA PRO A 102 16.422 -12.905 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.448 -11.171 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.901 -12.863 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.286 -12.018 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.709 -13.603 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.819 -11.160 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.546 -12.849 -1.567 1.00 0.00 H new ATOM 1522 N ASP A 103 17.263 -10.315 -2.430 1.00 0.00 N ATOM 1523 CA ASP A 103 18.070 -9.110 -2.319 1.00 0.00 C ATOM 1524 C ASP A 103 17.123 -7.896 -2.315 1.00 0.00 C ATOM 1525 O ASP A 103 17.452 -6.844 -1.775 1.00 0.00 O ATOM 1526 CB ASP A 103 19.097 -9.042 -3.469 1.00 0.00 C ATOM 1527 CG ASP A 103 18.433 -9.058 -4.864 1.00 0.00 C ATOM 1528 OD1 ASP A 103 18.217 -10.142 -5.405 1.00 0.00 O ATOM 1529 OD2 ASP A 103 18.142 -7.985 -5.393 1.00 0.00 O ATOM 0 H ASP A 103 17.335 -10.772 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 103 18.642 -9.115 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 103 19.693 -8.135 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 103 19.783 -9.885 -3.388 1.00 0.00 H new ATOM 1534 N VAL A 104 15.936 -8.111 -2.938 1.00 0.00 N ATOM 1535 CA VAL A 104 14.915 -7.079 -3.048 1.00 0.00 C ATOM 1536 C VAL A 104 14.558 -6.525 -1.657 1.00 0.00 C ATOM 1537 O VAL A 104 14.895 -5.381 -1.379 1.00 0.00 O ATOM 1538 CB VAL A 104 13.738 -7.528 -3.967 1.00 0.00 C ATOM 1539 CG1 VAL A 104 14.162 -7.068 -5.425 1.00 0.00 C ATOM 1540 CG2 VAL A 104 13.133 -8.864 -3.376 1.00 0.00 C ATOM 0 H VAL A 104 15.678 -8.999 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 104 15.304 -6.211 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 104 12.734 -7.109 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.384 -7.348 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.296 -5.986 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.098 -7.554 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.307 -9.198 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.905 -9.634 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.770 -8.683 -2.364 1.00 0.00 H new ATOM 1550 N GLU A 105 13.923 -7.345 -0.778 1.00 0.00 N ATOM 1551 CA GLU A 105 13.586 -6.811 0.529 1.00 0.00 C ATOM 1552 C GLU A 105 14.744 -7.074 1.492 1.00 0.00 C ATOM 1553 O GLU A 105 14.548 -7.056 2.697 1.00 0.00 O ATOM 1554 CB GLU A 105 12.250 -7.303 1.102 1.00 0.00 C ATOM 1555 CG GLU A 105 11.138 -7.559 0.083 1.00 0.00 C ATOM 1556 CD GLU A 105 10.786 -6.306 -0.731 1.00 0.00 C ATOM 1557 OE1 GLU A 105 10.154 -5.403 -0.185 1.00 0.00 O ATOM 1558 OE2 GLU A 105 11.138 -6.260 -1.909 1.00 0.00 O ATOM 0 H GLU A 105 13.656 -8.314 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 105 13.438 -5.739 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.431 -8.226 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.893 -6.567 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.448 -8.354 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.248 -7.912 0.603 1.00 0.00 H new ATOM 1565 N GLN A 106 15.965 -7.323 0.969 1.00 0.00 N ATOM 1566 CA GLN A 106 17.062 -7.498 1.914 1.00 0.00 C ATOM 1567 C GLN A 106 17.223 -6.111 2.569 1.00 0.00 C ATOM 1568 O GLN A 106 17.193 -5.955 3.783 1.00 0.00 O ATOM 1569 CB GLN A 106 18.342 -7.955 1.195 1.00 0.00 C ATOM 1570 CG GLN A 106 19.545 -8.108 2.139 1.00 0.00 C ATOM 1571 CD GLN A 106 20.789 -8.599 1.382 1.00 0.00 C ATOM 1572 OE1 GLN A 106 20.766 -8.850 0.183 1.00 0.00 O ATOM 1573 NE2 GLN A 106 21.872 -8.714 2.172 1.00 0.00 N ATOM 0 H GLN A 106 16.196 -7.401 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 106 16.864 -8.272 2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.153 -8.908 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.590 -7.235 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.760 -7.152 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.299 -8.812 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 106 21.807 -8.484 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 106 22.758 -9.031 1.779 1.00 0.00 H new ATOM 1582 N ARG A 107 17.338 -5.131 1.648 1.00 0.00 N ATOM 1583 CA ARG A 107 17.500 -3.742 2.023 1.00 0.00 C ATOM 1584 C ARG A 107 16.117 -3.062 2.153 1.00 0.00 C ATOM 1585 O ARG A 107 16.062 -1.988 2.739 1.00 0.00 O ATOM 1586 CB ARG A 107 18.416 -3.028 1.008 1.00 0.00 C ATOM 1587 CG ARG A 107 18.044 -3.313 -0.457 1.00 0.00 C ATOM 1588 CD ARG A 107 18.735 -2.378 -1.454 1.00 0.00 C ATOM 1589 NE ARG A 107 18.300 -1.003 -1.235 1.00 0.00 N ATOM 1590 CZ ARG A 107 18.529 -0.015 -2.129 1.00 0.00 C ATOM 1591 NH1 ARG A 107 19.193 -0.246 -3.259 1.00 0.00 N ATOM 1592 NH2 ARG A 107 18.081 1.210 -1.873 1.00 0.00 N ATOM 0 H ARG A 107 17.320 -5.294 0.641 1.00 0.00 H new ATOM 0 HA ARG A 107 17.983 -3.676 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.372 -1.953 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.447 -3.337 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 107 18.305 -4.344 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.964 -3.222 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.817 -2.448 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.501 -2.684 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 107 17.803 -0.778 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.540 -1.183 -3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 107 19.355 0.514 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.571 1.396 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.248 1.964 -2.540 1.00 0.00 H new ATOM 1606 N PHE A 108 15.013 -3.666 1.622 1.00 0.00 N ATOM 1607 CA PHE A 108 13.722 -2.964 1.739 1.00 0.00 C ATOM 1608 C PHE A 108 13.053 -3.383 3.047 1.00 0.00 C ATOM 1609 O PHE A 108 12.546 -2.547 3.785 1.00 0.00 O ATOM 1610 CB PHE A 108 12.758 -3.103 0.540 1.00 0.00 C ATOM 1611 CG PHE A 108 13.353 -2.858 -0.829 1.00 0.00 C ATOM 1612 CD1 PHE A 108 14.534 -2.142 -1.023 1.00 0.00 C ATOM 1613 CD2 PHE A 108 12.714 -3.387 -1.947 1.00 0.00 C ATOM 1614 CE1 PHE A 108 15.079 -2.010 -2.293 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.255 -3.255 -3.217 1.00 0.00 C ATOM 1616 CZ PHE A 108 14.447 -2.576 -3.388 1.00 0.00 C ATOM 0 H PHE A 108 14.995 -4.568 1.146 1.00 0.00 H new ATOM 0 HA PHE A 108 13.958 -1.900 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.336 -4.108 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.931 -2.408 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.029 -1.686 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 108 11.778 -3.911 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 108 16.001 -1.463 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.747 -3.681 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.884 -2.487 -4.372 1.00 0.00 H new ATOM 1626 N LYS A 109 13.079 -4.710 3.292 1.00 0.00 N ATOM 1627 CA LYS A 109 12.494 -5.265 4.517 1.00 0.00 C ATOM 1628 C LYS A 109 13.483 -5.009 5.668 1.00 0.00 C ATOM 1629 O LYS A 109 13.175 -5.340 6.808 1.00 0.00 O ATOM 1630 CB LYS A 109 12.017 -6.739 4.464 1.00 0.00 C ATOM 1631 CG LYS A 109 10.577 -6.917 3.945 1.00 0.00 C ATOM 1632 CD LYS A 109 9.570 -7.166 5.075 1.00 0.00 C ATOM 1633 CE LYS A 109 8.183 -7.546 4.555 1.00 0.00 C ATOM 1634 NZ LYS A 109 7.289 -7.934 5.637 1.00 0.00 N ATOM 0 H LYS A 109 13.492 -5.401 2.666 1.00 0.00 H new ATOM 0 HA LYS A 109 11.550 -4.743 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.694 -7.306 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.087 -7.168 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.282 -6.027 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.547 -7.753 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 109 9.943 -7.962 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 109 9.490 -6.269 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.754 -6.703 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 109 8.273 -8.368 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.316 -8.004 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.584 -8.856 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.327 -7.220 6.392 1.00 0.00 H new ATOM 1647 N ALA A 110 14.663 -4.397 5.353 1.00 0.00 N ATOM 1648 CA ALA A 110 15.616 -4.022 6.397 1.00 0.00 C ATOM 1649 C ALA A 110 14.844 -3.042 7.308 1.00 0.00 C ATOM 1650 O ALA A 110 14.988 -3.043 8.524 1.00 0.00 O ATOM 1651 CB ALA A 110 16.856 -3.336 5.807 1.00 0.00 C ATOM 0 H ALA A 110 14.956 -4.165 4.404 1.00 0.00 H new ATOM 0 HA ALA A 110 15.980 -4.897 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.542 -3.071 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.353 -4.016 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.554 -2.433 5.276 1.00 0.00 H new ATOM 1657 N MET A 111 14.000 -2.232 6.616 1.00 0.00 N ATOM 1658 CA MET A 111 13.122 -1.287 7.277 1.00 0.00 C ATOM 1659 C MET A 111 11.889 -2.123 7.666 1.00 0.00 C ATOM 1660 O MET A 111 11.490 -2.146 8.824 1.00 0.00 O ATOM 1661 CB MET A 111 12.733 -0.108 6.368 1.00 0.00 C ATOM 1662 CG MET A 111 13.919 0.775 5.964 1.00 0.00 C ATOM 1663 SD MET A 111 14.932 0.024 4.677 1.00 0.00 S ATOM 1664 CE MET A 111 13.956 0.514 3.243 1.00 0.00 C ATOM 0 H MET A 111 13.925 -2.231 5.599 1.00 0.00 H new ATOM 0 HA MET A 111 13.607 -0.823 8.136 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.257 -0.496 5.468 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.992 0.506 6.881 1.00 0.00 H new ATOM 0 HG2 MET A 111 13.548 1.738 5.614 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.537 0.971 6.840 1.00 0.00 H new ATOM 0 HE1 MET A 111 14.513 0.295 2.332 1.00 0.00 H new ATOM 0 HE2 MET A 111 13.017 -0.039 3.236 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.748 1.583 3.293 1.00 0.00 H new ATOM 1674 N GLY A 112 11.315 -2.803 6.635 1.00 0.00 N ATOM 1675 CA GLY A 112 10.154 -3.663 6.836 1.00 0.00 C ATOM 1676 C GLY A 112 8.952 -3.020 7.547 1.00 0.00 C ATOM 1677 O GLY A 112 8.307 -3.650 8.376 1.00 0.00 O ATOM 0 H GLY A 112 11.647 -2.762 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.823 -4.026 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.468 -4.534 7.411 1.00 0.00 H new ATOM 1681 N PHE A 113 8.685 -1.746 7.172 1.00 0.00 N ATOM 1682 CA PHE A 113 7.537 -1.036 7.735 1.00 0.00 C ATOM 1683 C PHE A 113 6.281 -1.484 6.948 1.00 0.00 C ATOM 1684 O PHE A 113 5.159 -1.139 7.295 1.00 0.00 O ATOM 1685 CB PHE A 113 7.738 0.498 7.736 1.00 0.00 C ATOM 1686 CG PHE A 113 8.429 1.063 6.515 1.00 0.00 C ATOM 1687 CD1 PHE A 113 7.943 0.854 5.226 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.584 1.825 6.674 1.00 0.00 C ATOM 1689 CE1 PHE A 113 8.604 1.385 4.125 1.00 0.00 C ATOM 1690 CE2 PHE A 113 10.243 2.363 5.577 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.753 2.142 4.300 1.00 0.00 C ATOM 0 H PHE A 113 9.237 -1.211 6.501 1.00 0.00 H new ATOM 0 HA PHE A 113 7.415 -1.292 8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.763 0.975 7.834 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.316 0.771 8.619 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.044 0.274 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.973 2.000 7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.222 1.208 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 113 11.136 2.953 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.264 2.558 3.444 1.00 0.00 H new ATOM 1701 N ASP A 114 6.554 -2.267 5.882 1.00 0.00 N ATOM 1702 CA ASP A 114 5.604 -2.844 4.963 1.00 0.00 C ATOM 1703 C ASP A 114 5.534 -4.334 5.343 1.00 0.00 C ATOM 1704 O ASP A 114 6.555 -4.945 5.636 1.00 0.00 O ATOM 1705 CB ASP A 114 6.142 -2.613 3.535 1.00 0.00 C ATOM 1706 CG ASP A 114 7.553 -3.218 3.327 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.539 -2.550 3.642 1.00 0.00 O ATOM 1708 OD2 ASP A 114 7.648 -4.347 2.848 1.00 0.00 O ATOM 0 H ASP A 114 7.513 -2.517 5.643 1.00 0.00 H new ATOM 0 HA ASP A 114 4.605 -2.410 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.452 -3.053 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.176 -1.543 3.332 1.00 0.00 H new ATOM 1713 N ARG A 115 4.290 -4.876 5.356 1.00 0.00 N ATOM 1714 CA ARG A 115 4.082 -6.285 5.680 1.00 0.00 C ATOM 1715 C ARG A 115 3.652 -6.896 4.350 1.00 0.00 C ATOM 1716 O ARG A 115 3.465 -6.179 3.381 1.00 0.00 O ATOM 1717 CB ARG A 115 3.046 -6.499 6.808 1.00 0.00 C ATOM 1718 CG ARG A 115 2.243 -5.251 7.219 1.00 0.00 C ATOM 1719 CD ARG A 115 3.053 -4.341 8.160 1.00 0.00 C ATOM 1720 NE ARG A 115 2.320 -3.146 8.555 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.144 -2.101 7.717 1.00 0.00 C ATOM 1722 NH1 ARG A 115 2.492 -2.163 6.437 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.606 -0.982 8.177 1.00 0.00 N ATOM 0 H ARG A 115 3.437 -4.357 5.148 1.00 0.00 H new ATOM 0 HA ARG A 115 4.978 -6.756 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.346 -7.272 6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.566 -6.880 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.957 -4.692 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.321 -5.557 7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.331 -4.903 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.979 -4.047 7.666 1.00 0.00 H new ATOM 0 HE ARG A 115 1.927 -3.096 9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.905 -3.017 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 115 2.346 -1.357 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.329 -0.914 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.469 -0.188 7.552 1.00 0.00 H new ATOM 1737 N VAL A 116 3.520 -8.240 4.336 1.00 0.00 N ATOM 1738 CA VAL A 116 3.081 -8.929 3.121 1.00 0.00 C ATOM 1739 C VAL A 116 2.118 -10.049 3.546 1.00 0.00 C ATOM 1740 O VAL A 116 2.126 -10.486 4.691 1.00 0.00 O ATOM 1741 CB VAL A 116 4.273 -9.474 2.251 1.00 0.00 C ATOM 1742 CG1 VAL A 116 5.649 -8.899 2.709 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.157 -10.558 1.127 1.00 0.00 C ATOM 0 H VAL A 116 3.707 -8.849 5.133 1.00 0.00 H new ATOM 0 HA VAL A 116 2.574 -8.217 2.470 1.00 0.00 H new ATOM 0 HB VAL A 116 3.882 -9.651 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.441 -9.304 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.636 -7.813 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.833 -9.178 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.141 -10.740 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.771 -11.484 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.478 -10.206 0.350 1.00 0.00 H new ATOM 1753 N TYR A 117 1.305 -10.499 2.560 1.00 0.00 N ATOM 1754 CA TYR A 117 0.332 -11.539 2.800 1.00 0.00 C ATOM 1755 C TYR A 117 0.990 -12.820 2.271 1.00 0.00 C ATOM 1756 O TYR A 117 1.918 -12.762 1.473 1.00 0.00 O ATOM 1757 CB TYR A 117 -0.895 -11.242 1.928 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.656 -9.998 2.302 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.112 -8.727 2.167 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -2.962 -10.112 2.747 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -1.876 -7.602 2.415 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -3.729 -8.997 3.044 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.192 -7.720 2.868 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.939 -6.590 3.168 1.00 0.00 O ATOM 0 H TYR A 117 1.320 -10.147 1.603 1.00 0.00 H new ATOM 0 HA TYR A 117 0.038 -11.615 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.572 -11.154 0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.573 -12.094 1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.081 -8.617 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.394 -11.095 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.451 -6.622 2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.738 -9.115 3.410 1.00 0.00 H new ATOM 0 HH TYR A 117 -3.408 -5.986 3.729 1.00 0.00 H new ATOM 1774 N PRO A 118 0.477 -13.998 2.734 1.00 0.00 N ATOM 1775 CA PRO A 118 1.011 -15.278 2.287 1.00 0.00 C ATOM 1776 C PRO A 118 0.497 -15.424 0.838 1.00 0.00 C ATOM 1777 O PRO A 118 -0.574 -14.927 0.509 1.00 0.00 O ATOM 1778 CB PRO A 118 0.380 -16.309 3.235 1.00 0.00 C ATOM 1779 CG PRO A 118 -0.900 -15.642 3.749 1.00 0.00 C ATOM 1780 CD PRO A 118 -0.614 -14.139 3.708 1.00 0.00 C ATOM 0 HA PRO A 118 2.095 -15.388 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.158 -17.240 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 118 1.054 -16.555 4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.755 -15.897 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.136 -15.970 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.495 -13.576 3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.321 -13.764 4.689 1.00 0.00 H new ATOM 1788 N PRO A 119 1.297 -16.117 -0.026 1.00 0.00 N ATOM 1789 CA PRO A 119 0.922 -16.317 -1.421 1.00 0.00 C ATOM 1790 C PRO A 119 -0.204 -17.357 -1.379 1.00 0.00 C ATOM 1791 O PRO A 119 -0.003 -18.529 -1.082 1.00 0.00 O ATOM 1792 CB PRO A 119 2.201 -16.846 -2.087 1.00 0.00 C ATOM 1793 CG PRO A 119 3.005 -17.481 -0.946 1.00 0.00 C ATOM 1794 CD PRO A 119 2.583 -16.723 0.316 1.00 0.00 C ATOM 0 HA PRO A 119 0.570 -15.441 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.970 -17.577 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.760 -16.041 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.788 -18.545 -0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.077 -17.388 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.489 -17.395 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.318 -15.965 0.587 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.393 -16.817 -1.703 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.627 -17.583 -1.723 1.00 0.00 C ATOM 1804 C GLY A 120 -3.757 -16.708 -1.176 1.00 0.00 C ATOM 1805 O GLY A 120 -3.536 -15.739 -0.459 1.00 0.00 O ATOM 0 H GLY A 120 -1.513 -15.836 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.856 -17.904 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.522 -18.485 -1.120 1.00 0.00 H new ATOM 1809 N THR A 121 -4.977 -17.129 -1.565 1.00 0.00 N ATOM 1810 CA THR A 121 -6.195 -16.441 -1.166 1.00 0.00 C ATOM 1811 C THR A 121 -6.422 -16.769 0.301 1.00 0.00 C ATOM 1812 O THR A 121 -6.162 -17.867 0.776 1.00 0.00 O ATOM 1813 CB THR A 121 -7.439 -16.858 -2.014 1.00 0.00 C ATOM 1814 OG1 THR A 121 -8.742 -16.818 -1.350 1.00 0.00 O ATOM 1815 CG2 THR A 121 -7.192 -18.151 -2.853 1.00 0.00 C ATOM 0 H THR A 121 -5.132 -17.945 -2.156 1.00 0.00 H new ATOM 0 HA THR A 121 -6.074 -15.371 -1.332 1.00 0.00 H new ATOM 0 HB THR A 121 -7.537 -16.035 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.439 -17.097 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.090 -18.393 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.361 -17.986 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.952 -18.978 -2.185 1.00 0.00 H new ATOM 1823 N SER A 122 -6.930 -15.703 0.957 1.00 0.00 N ATOM 1824 CA SER A 122 -7.232 -15.727 2.371 1.00 0.00 C ATOM 1825 C SER A 122 -7.639 -14.293 2.753 1.00 0.00 C ATOM 1826 O SER A 122 -6.781 -13.442 2.958 1.00 0.00 O ATOM 1827 CB SER A 122 -6.000 -16.143 3.232 1.00 0.00 C ATOM 1828 OG SER A 122 -4.741 -15.371 3.106 1.00 0.00 O ATOM 0 H SER A 122 -7.135 -14.812 0.506 1.00 0.00 H new ATOM 0 HA SER A 122 -8.019 -16.457 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.303 -16.109 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.773 -17.183 3.000 1.00 0.00 H new ATOM 0 HG SER A 122 -4.669 -14.739 3.852 1.00 0.00 H new ATOM 1834 N PRO A 123 -8.981 -14.033 2.867 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.481 -12.720 3.270 1.00 0.00 C ATOM 1836 C PRO A 123 -9.281 -12.576 4.797 1.00 0.00 C ATOM 1837 O PRO A 123 -9.576 -11.531 5.361 1.00 0.00 O ATOM 1838 CB PRO A 123 -10.982 -12.755 2.929 1.00 0.00 C ATOM 1839 CG PRO A 123 -11.335 -14.242 2.956 1.00 0.00 C ATOM 1840 CD PRO A 123 -10.062 -14.949 2.500 1.00 0.00 C ATOM 0 HA PRO A 123 -8.976 -11.889 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.569 -12.193 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -11.179 -12.316 1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.629 -14.561 3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -12.171 -14.463 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.947 -15.915 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -10.075 -15.137 1.426 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.768 -13.670 5.418 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.477 -13.798 6.834 1.00 0.00 C ATOM 1850 C GLU A 124 -7.360 -12.809 7.172 1.00 0.00 C ATOM 1851 O GLU A 124 -7.348 -12.193 8.231 1.00 0.00 O ATOM 1852 CB GLU A 124 -8.011 -15.246 7.090 1.00 0.00 C ATOM 1853 CG GLU A 124 -7.497 -15.491 8.518 1.00 0.00 C ATOM 1854 CD GLU A 124 -7.153 -16.976 8.727 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -6.032 -17.372 8.405 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -8.007 -17.719 9.210 1.00 0.00 O ATOM 0 H GLU A 124 -8.542 -14.519 4.901 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.349 -13.584 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.840 -15.925 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.220 -15.493 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.614 -14.879 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.254 -15.183 9.240 1.00 0.00 H new ATOM 1863 N THR A 125 -6.427 -12.703 6.205 1.00 0.00 N ATOM 1864 CA THR A 125 -5.289 -11.830 6.366 1.00 0.00 C ATOM 1865 C THR A 125 -5.767 -10.386 6.153 1.00 0.00 C ATOM 1866 O THR A 125 -5.097 -9.470 6.612 1.00 0.00 O ATOM 1867 CB THR A 125 -4.193 -12.216 5.323 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.105 -13.608 4.883 1.00 0.00 O ATOM 1869 CG2 THR A 125 -2.824 -11.572 5.682 1.00 0.00 C ATOM 0 H THR A 125 -6.454 -13.212 5.321 1.00 0.00 H new ATOM 0 HA THR A 125 -4.857 -11.926 7.362 1.00 0.00 H new ATOM 0 HB THR A 125 -4.561 -11.768 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.163 -13.867 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.081 -11.859 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 125 -2.925 -10.487 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.506 -11.919 6.665 1.00 0.00 H new ATOM 1877 N THR A 126 -6.922 -10.192 5.452 1.00 0.00 N ATOM 1878 CA THR A 126 -7.345 -8.821 5.238 1.00 0.00 C ATOM 1879 C THR A 126 -8.053 -8.278 6.481 1.00 0.00 C ATOM 1880 O THR A 126 -8.223 -7.069 6.636 1.00 0.00 O ATOM 1881 CB THR A 126 -8.278 -8.493 4.062 1.00 0.00 C ATOM 1882 OG1 THR A 126 -9.723 -8.659 4.240 1.00 0.00 O ATOM 1883 CG2 THR A 126 -7.744 -9.041 2.718 1.00 0.00 C ATOM 0 H THR A 126 -7.520 -10.920 5.062 1.00 0.00 H new ATOM 0 HA THR A 126 -6.388 -8.358 4.999 1.00 0.00 H new ATOM 0 HB THR A 126 -8.224 -7.405 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 126 -9.908 -9.550 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 126 -8.438 -8.783 1.918 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.769 -8.601 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 126 -7.648 -10.125 2.780 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.473 -9.216 7.355 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.076 -8.777 8.601 1.00 0.00 C ATOM 1893 C ILE A 127 -7.903 -8.127 9.362 1.00 0.00 C ATOM 1894 O ILE A 127 -8.062 -7.163 10.098 1.00 0.00 O ATOM 1895 CB ILE A 127 -9.714 -9.974 9.368 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.395 -11.048 8.499 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.047 -9.543 10.833 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.039 -12.224 9.260 1.00 0.00 C ATOM 0 H ILE A 127 -8.406 -10.225 7.222 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.901 -8.078 8.463 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.107 -10.830 9.662 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.165 -10.565 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -9.655 -11.450 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -10.493 -10.382 11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.132 -9.236 11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.749 -8.709 10.816 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.487 -12.917 8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.276 -12.743 9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -11.810 -11.845 9.931 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.711 -8.712 9.074 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.473 -8.255 9.641 1.00 0.00 C ATOM 1912 C ALA A 128 -4.868 -7.187 8.713 1.00 0.00 C ATOM 1913 O ALA A 128 -3.788 -6.701 9.010 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.516 -9.437 9.871 1.00 0.00 C ATOM 0 H ALA A 128 -6.611 -9.507 8.443 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.650 -7.803 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.583 -9.072 10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.976 -10.150 10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.309 -9.928 8.920 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.568 -6.815 7.604 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.066 -5.798 6.690 1.00 0.00 C ATOM 1922 C ASP A 129 -4.910 -4.502 7.491 1.00 0.00 C ATOM 1923 O ASP A 129 -3.832 -3.949 7.650 1.00 0.00 O ATOM 1924 CB ASP A 129 -6.054 -5.508 5.531 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.524 -4.582 4.421 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.526 -3.904 4.626 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -6.114 -4.559 3.344 1.00 0.00 O ATOM 0 H ASP A 129 -6.470 -7.211 7.340 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.129 -6.155 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.345 -6.457 5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.957 -5.064 5.950 1.00 0.00 H new ATOM 1932 N MET A 130 -6.094 -4.090 7.976 1.00 0.00 N ATOM 1933 CA MET A 130 -6.214 -2.828 8.678 1.00 0.00 C ATOM 1934 C MET A 130 -5.988 -2.997 10.181 1.00 0.00 C ATOM 1935 O MET A 130 -5.765 -2.003 10.862 1.00 0.00 O ATOM 1936 CB MET A 130 -7.578 -2.207 8.330 1.00 0.00 C ATOM 1937 CG MET A 130 -7.832 -2.171 6.818 1.00 0.00 C ATOM 1938 SD MET A 130 -6.348 -1.761 5.888 1.00 0.00 S ATOM 1939 CE MET A 130 -6.695 -0.023 5.656 1.00 0.00 C ATOM 0 H MET A 130 -6.964 -4.615 7.890 1.00 0.00 H new ATOM 0 HA MET A 130 -5.433 -2.140 8.354 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.369 -2.778 8.816 1.00 0.00 H new ATOM 0 HB3 MET A 130 -7.626 -1.194 8.728 1.00 0.00 H new ATOM 0 HG2 MET A 130 -8.207 -3.141 6.491 1.00 0.00 H new ATOM 0 HG3 MET A 130 -8.609 -1.439 6.599 1.00 0.00 H new ATOM 0 HE1 MET A 130 -5.802 0.480 5.284 1.00 0.00 H new ATOM 0 HE2 MET A 130 -7.504 0.093 4.935 1.00 0.00 H new ATOM 0 HE3 MET A 130 -6.991 0.419 6.607 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.037 -4.248 10.691 1.00 0.00 N ATOM 1950 CA LYS A 131 -5.840 -4.411 12.128 1.00 0.00 C ATOM 1951 C LYS A 131 -4.332 -4.547 12.410 1.00 0.00 C ATOM 1952 O LYS A 131 -3.922 -4.457 13.559 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.658 -5.597 12.669 1.00 0.00 C ATOM 1954 CG LYS A 131 -8.172 -5.356 12.562 1.00 0.00 C ATOM 1955 CD LYS A 131 -9.008 -6.548 13.047 1.00 0.00 C ATOM 1956 CE LYS A 131 -8.975 -6.730 14.568 1.00 0.00 C ATOM 1957 NZ LYS A 131 -9.821 -7.833 15.007 1.00 0.00 N ATOM 0 H LYS A 131 -6.201 -5.103 10.160 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.208 -3.532 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -6.396 -6.499 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.393 -5.773 13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.435 -4.474 13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -8.427 -5.140 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.041 -6.413 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.642 -7.458 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.949 -6.911 14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -9.302 -5.809 15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -9.769 -7.920 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.805 -7.650 14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.494 -8.717 14.568 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.522 -4.774 11.348 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.085 -4.902 11.553 1.00 0.00 C ATOM 1972 C GLU A 132 -1.471 -3.509 11.421 1.00 0.00 C ATOM 1973 O GLU A 132 -0.796 -2.999 12.304 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.467 -5.919 10.577 1.00 0.00 C ATOM 1975 CG GLU A 132 0.044 -6.109 10.798 1.00 0.00 C ATOM 1976 CD GLU A 132 0.638 -7.283 9.991 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.101 -8.187 9.604 1.00 0.00 O ATOM 1978 OE2 GLU A 132 1.847 -7.283 9.765 1.00 0.00 O ATOM 0 H GLU A 132 -3.836 -4.867 10.382 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.874 -5.293 12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -1.971 -6.879 10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.642 -5.587 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.562 -5.190 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.231 -6.276 11.859 1.00 0.00 H new ATOM 1985 N VAL A 133 -1.757 -2.943 10.243 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.242 -1.636 9.850 1.00 0.00 C ATOM 1987 C VAL A 133 -1.611 -0.498 10.823 1.00 0.00 C ATOM 1988 O VAL A 133 -0.740 0.243 11.263 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.629 -1.363 8.351 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.739 0.165 8.047 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.404 -2.395 7.216 1.00 0.00 C ATOM 0 H VAL A 133 -2.352 -3.381 9.539 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.154 -1.656 9.919 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.626 -1.795 8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.008 0.309 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.505 0.608 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.781 0.645 8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.751 -1.978 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.342 -2.628 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.961 -3.306 7.436 1.00 0.00 H new ATOM 2001 N LEU A 134 -2.922 -0.398 11.129 1.00 0.00 N ATOM 2002 CA LEU A 134 -3.367 0.677 12.005 1.00 0.00 C ATOM 2003 C LEU A 134 -3.304 0.184 13.455 1.00 0.00 C ATOM 2004 O LEU A 134 -2.971 0.954 14.346 1.00 0.00 O ATOM 2005 CB LEU A 134 -4.766 1.167 11.594 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.783 1.745 10.144 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -5.405 0.716 9.158 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -4.468 3.243 9.844 1.00 0.00 C ATOM 0 H LEU A 134 -3.654 -1.024 10.794 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.710 1.542 11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.474 0.341 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.101 1.933 12.293 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.877 2.092 9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -5.410 1.134 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -4.815 -0.200 9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.427 0.492 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.538 3.422 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.185 3.877 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -3.460 3.478 10.186 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.619 -1.117 13.661 1.00 0.00 N ATOM 2021 CA GLY A 135 -3.593 -1.645 15.021 1.00 0.00 C ATOM 2022 C GLY A 135 -2.178 -1.683 15.617 1.00 0.00 C ATOM 2023 O GLY A 135 -1.831 -0.869 16.465 1.00 0.00 O ATOM 0 H GLY A 135 -3.881 -1.783 12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.234 -1.033 15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.011 -2.652 15.023 1.00 0.00 H new