USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 795 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 102 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.011) USER MOD Set 1.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 CYS SG : rot 77:sc= 0.745 USER MOD Set 2.2: A 80 SER OG : rot 101:sc= 1.4 USER MOD Set 3.1: A 45 ASN : amide:sc= -1.44 K(o=-2.7,f=0.68!) USER MOD Set 3.2: A 47 THR OG1 : rot 99:sc= -0.038 USER MOD Set 3.3: A 93 ASN : amide:sc= -1.19 K(o=-2.7,f=0.75) USER MOD Set 4.1: A 28 HIS : no HE2:sc= -2.59! C(o=-4.7!,f=-4.7!) USER MOD Set 4.2: A 30 TYR OH : rot 15:sc= -2.09 USER MOD Set 5.1: A 11 HIS : no HD1:sc= -6.57! C(o=-6.7!,f=-11!) USER MOD Set 5.2: A 37 LYS NZ :NH3+ -164:sc= -0.109 (180deg=-0.468) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.28! C(o=-7.3!,f=-15!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 29 CYS SG : rot 29:sc= 0.295 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.05! C(o=-5.1!,f=-9.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -131:sc= -2.51 (180deg=-6.95!) USER MOD Single : A 50 THR OG1 : rot -42:sc= 0.804 USER MOD Single : A 51 SER OG : rot -153:sc= 0.00197 USER MOD Single : A 60 SER OG : rot 28:sc= 0.0233 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 75 GLN : amide:sc= -2.66 K(o=-2.7,f=-8!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 33:sc= 0.928 USER MOD Single : A 85 ASN : amide:sc= 0.119 K(o=0.12,f=-5.7!) USER MOD Single : A 95 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 97 SER OG : rot -109:sc= -0.873 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.616 -4.015 7.618 1.00 0.00 N ATOM 67 CA PRO A 8 8.591 -5.061 7.560 1.00 0.00 C ATOM 68 C PRO A 8 8.721 -5.931 6.314 1.00 0.00 C ATOM 69 O PRO A 8 9.196 -5.477 5.273 1.00 0.00 O ATOM 70 CB PRO A 8 7.280 -4.271 7.526 1.00 0.00 C ATOM 71 CG PRO A 8 7.649 -2.949 6.947 1.00 0.00 C ATOM 72 CD PRO A 8 9.052 -2.671 7.412 1.00 0.00 C ATOM 0 HA PRO A 8 8.666 -5.753 8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.530 -4.775 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.858 -4.162 8.525 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.596 -2.971 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.965 -2.170 7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.617 -2.108 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.062 -2.086 8.332 1.00 0.00 H new ATOM 80 N LYS A 9 8.296 -7.185 6.427 1.00 0.00 N ATOM 81 CA LYS A 9 8.363 -8.120 5.310 1.00 0.00 C ATOM 82 C LYS A 9 7.330 -7.768 4.244 1.00 0.00 C ATOM 83 O LYS A 9 7.678 -7.291 3.163 1.00 0.00 O ATOM 84 CB LYS A 9 8.137 -9.551 5.802 1.00 0.00 C ATOM 85 CG LYS A 9 9.203 -10.038 6.768 1.00 0.00 C ATOM 86 CD LYS A 9 8.996 -9.465 8.160 1.00 0.00 C ATOM 87 CE LYS A 9 9.679 -10.317 9.220 1.00 0.00 C ATOM 88 NZ LYS A 9 9.703 -9.640 10.546 1.00 0.00 N ATOM 0 H LYS A 9 7.901 -7.577 7.282 1.00 0.00 H new ATOM 0 HA LYS A 9 9.356 -8.048 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.164 -9.609 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.104 -10.221 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.183 -11.127 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.188 -9.753 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.389 -8.449 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.929 -9.402 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.160 -11.271 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.699 -10.538 8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.176 -10.253 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.221 -8.741 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.729 -9.452 10.858 1.00 0.00 H new ATOM 102 N ILE A 10 6.060 -8.005 4.556 1.00 0.00 N ATOM 103 CA ILE A 10 4.978 -7.711 3.625 1.00 0.00 C ATOM 104 C ILE A 10 5.246 -6.418 2.862 1.00 0.00 C ATOM 105 O ILE A 10 5.968 -5.541 3.338 1.00 0.00 O ATOM 106 CB ILE A 10 3.626 -7.594 4.353 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.833 -7.090 5.782 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.909 -8.935 4.357 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.016 -8.199 6.794 1.00 0.00 C ATOM 0 H ILE A 10 5.756 -8.400 5.446 1.00 0.00 H new ATOM 0 HA ILE A 10 4.932 -8.542 2.921 1.00 0.00 H new ATOM 0 HB ILE A 10 3.005 -6.874 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.707 -6.440 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.976 -6.483 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.955 -8.836 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.733 -9.256 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.525 -9.675 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.158 -7.768 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.132 -8.837 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.891 -8.793 6.529 1.00 0.00 H new ATOM 121 N HIS A 11 4.658 -6.305 1.675 1.00 0.00 N ATOM 122 CA HIS A 11 4.831 -5.118 0.846 1.00 0.00 C ATOM 123 C HIS A 11 3.660 -4.954 -0.119 1.00 0.00 C ATOM 124 O HIS A 11 3.201 -5.923 -0.724 1.00 0.00 O ATOM 125 CB HIS A 11 6.142 -5.201 0.065 1.00 0.00 C ATOM 126 CG HIS A 11 6.020 -5.936 -1.235 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.270 -5.471 -2.294 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.560 -7.108 -1.643 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.352 -6.326 -3.298 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.129 -7.328 -2.929 1.00 0.00 N ATOM 0 H HIS A 11 4.058 -7.021 1.266 1.00 0.00 H new ATOM 0 HA HIS A 11 4.863 -4.249 1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.503 -4.191 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.893 -5.694 0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.208 -7.750 -1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.866 -6.223 -4.257 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.370 -8.134 -3.505 1.00 0.00 H new ATOM 138 N PHE A 12 3.182 -3.722 -0.258 1.00 0.00 N ATOM 139 CA PHE A 12 2.064 -3.431 -1.148 1.00 0.00 C ATOM 140 C PHE A 12 2.518 -3.417 -2.604 1.00 0.00 C ATOM 141 O PHE A 12 3.547 -2.832 -2.939 1.00 0.00 O ATOM 142 CB PHE A 12 1.432 -2.086 -0.785 1.00 0.00 C ATOM 143 CG PHE A 12 0.494 -2.160 0.385 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.783 -2.677 0.235 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.888 -1.711 1.635 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.649 -2.747 1.310 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.026 -1.779 2.714 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.244 -2.297 2.551 1.00 0.00 C ATOM 0 H PHE A 12 3.551 -2.909 0.234 1.00 0.00 H new ATOM 0 HA PHE A 12 1.320 -4.218 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.223 -1.371 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.891 -1.703 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.105 -3.029 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.879 -1.303 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.641 -3.153 1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.346 -1.427 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.919 -2.350 3.392 1.00 0.00 H new ATOM 158 N ASN A 13 1.742 -4.066 -3.466 1.00 0.00 N ATOM 159 CA ASN A 13 2.064 -4.129 -4.887 1.00 0.00 C ATOM 160 C ASN A 13 2.719 -2.833 -5.355 1.00 0.00 C ATOM 161 O ASN A 13 3.592 -2.844 -6.223 1.00 0.00 O ATOM 162 CB ASN A 13 0.800 -4.399 -5.706 1.00 0.00 C ATOM 163 CG ASN A 13 -0.351 -3.497 -5.307 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.206 -2.631 -4.444 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.505 -3.697 -5.934 1.00 0.00 N ATOM 0 H ASN A 13 0.886 -4.556 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 13 2.769 -4.947 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.019 -4.257 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.503 -5.440 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.316 -3.121 -5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.580 -4.426 -6.643 1.00 0.00 H new ATOM 172 N PHE A 14 2.294 -1.718 -4.772 1.00 0.00 N ATOM 173 CA PHE A 14 2.838 -0.413 -5.129 1.00 0.00 C ATOM 174 C PHE A 14 3.181 0.394 -3.879 1.00 0.00 C ATOM 175 O PHE A 14 2.907 -0.034 -2.758 1.00 0.00 O ATOM 176 CB PHE A 14 1.840 0.362 -5.992 1.00 0.00 C ATOM 177 CG PHE A 14 0.406 0.073 -5.654 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.160 0.569 -4.491 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.378 -0.694 -6.501 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.479 0.304 -4.178 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.699 -0.962 -6.193 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.250 -0.461 -5.030 1.00 0.00 C ATOM 0 H PHE A 14 1.574 -1.691 -4.050 1.00 0.00 H new ATOM 0 HA PHE A 14 3.753 -0.573 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.024 1.430 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.014 0.120 -7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.437 1.170 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.048 -1.087 -7.412 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.907 0.695 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.299 -1.562 -6.861 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.282 -0.667 -4.788 1.00 0.00 H new ATOM 192 N GLU A 15 3.781 1.562 -4.082 1.00 0.00 N ATOM 193 CA GLU A 15 4.162 2.428 -2.972 1.00 0.00 C ATOM 194 C GLU A 15 3.071 3.455 -2.684 1.00 0.00 C ATOM 195 O GLU A 15 2.745 3.724 -1.527 1.00 0.00 O ATOM 196 CB GLU A 15 5.480 3.140 -3.281 1.00 0.00 C ATOM 197 CG GLU A 15 5.404 4.068 -4.482 1.00 0.00 C ATOM 198 CD GLU A 15 6.713 4.784 -4.751 1.00 0.00 C ATOM 199 OE1 GLU A 15 7.644 4.141 -5.279 1.00 0.00 O ATOM 200 OE2 GLU A 15 6.807 5.988 -4.433 1.00 0.00 O ATOM 0 H GLU A 15 4.014 1.931 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 15 4.293 1.805 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.786 3.715 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.254 2.393 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.121 3.493 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.618 4.805 -4.317 1.00 0.00 H new ATOM 207 N LEU A 16 2.511 4.027 -3.744 1.00 0.00 N ATOM 208 CA LEU A 16 1.457 5.026 -3.607 1.00 0.00 C ATOM 209 C LEU A 16 0.287 4.714 -4.534 1.00 0.00 C ATOM 210 O LEU A 16 0.480 4.357 -5.697 1.00 0.00 O ATOM 211 CB LEU A 16 2.006 6.421 -3.912 1.00 0.00 C ATOM 212 CG LEU A 16 0.979 7.553 -3.950 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.622 8.871 -3.549 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.355 7.661 -5.334 1.00 0.00 C ATOM 0 H LEU A 16 2.769 3.816 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 16 1.098 5.000 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.759 6.665 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.515 6.387 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 16 0.189 7.325 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.876 9.665 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.020 8.789 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.432 9.106 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.373 8.472 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.133 7.865 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.143 6.724 -5.583 1.00 0.00 H new ATOM 226 N LEU A 17 -0.928 4.851 -4.013 1.00 0.00 N ATOM 227 CA LEU A 17 -2.130 4.586 -4.794 1.00 0.00 C ATOM 228 C LEU A 17 -2.857 5.884 -5.132 1.00 0.00 C ATOM 229 O LEU A 17 -3.549 6.457 -4.291 1.00 0.00 O ATOM 230 CB LEU A 17 -3.065 3.650 -4.026 1.00 0.00 C ATOM 231 CG LEU A 17 -4.496 3.547 -4.556 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.526 2.776 -5.866 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.400 2.887 -3.525 1.00 0.00 C ATOM 0 H LEU A 17 -1.106 5.144 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.830 4.106 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.627 2.652 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.106 3.981 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.867 4.555 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.552 2.713 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.912 3.290 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.135 1.771 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.414 2.822 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.031 1.885 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.403 3.481 -2.611 1.00 0.00 H new ATOM 245 N ASP A 18 -2.697 6.340 -6.369 1.00 0.00 N ATOM 246 CA ASP A 18 -3.341 7.569 -6.820 1.00 0.00 C ATOM 247 C ASP A 18 -4.785 7.305 -7.236 1.00 0.00 C ATOM 248 O ASP A 18 -5.044 6.800 -8.329 1.00 0.00 O ATOM 249 CB ASP A 18 -2.564 8.178 -7.989 1.00 0.00 C ATOM 250 CG ASP A 18 -1.070 7.947 -7.874 1.00 0.00 C ATOM 251 OD1 ASP A 18 -0.640 6.780 -7.987 1.00 0.00 O ATOM 252 OD2 ASP A 18 -0.331 8.932 -7.669 1.00 0.00 O ATOM 0 H ASP A 18 -2.127 5.878 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.344 8.274 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.924 7.749 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.761 9.249 -8.034 1.00 0.00 H new ATOM 257 N ILE A 19 -5.720 7.648 -6.357 1.00 0.00 N ATOM 258 CA ILE A 19 -7.137 7.448 -6.633 1.00 0.00 C ATOM 259 C ILE A 19 -7.640 8.442 -7.674 1.00 0.00 C ATOM 260 O ILE A 19 -8.822 8.453 -8.017 1.00 0.00 O ATOM 261 CB ILE A 19 -7.985 7.587 -5.355 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.743 8.949 -4.702 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.664 6.463 -4.382 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.560 9.172 -3.449 1.00 0.00 C ATOM 0 H ILE A 19 -5.522 8.066 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.243 6.435 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.038 7.517 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.685 9.043 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.975 9.734 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.271 6.575 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.882 5.503 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.608 6.504 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.337 10.158 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.621 9.111 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.311 8.409 -2.712 1.00 0.00 H new ATOM 276 N GLY A 20 -6.734 9.276 -8.175 1.00 0.00 N ATOM 277 CA GLY A 20 -7.104 10.262 -9.173 1.00 0.00 C ATOM 278 C GLY A 20 -8.284 11.110 -8.741 1.00 0.00 C ATOM 279 O GLY A 20 -8.419 11.447 -7.564 1.00 0.00 O ATOM 0 H GLY A 20 -5.750 9.286 -7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.250 10.909 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.347 9.755 -10.107 1.00 0.00 H new ATOM 283 N LYS A 21 -9.140 11.460 -9.694 1.00 0.00 N ATOM 284 CA LYS A 21 -10.315 12.275 -9.408 1.00 0.00 C ATOM 285 C LYS A 21 -11.509 11.399 -9.041 1.00 0.00 C ATOM 286 O LYS A 21 -11.838 10.451 -9.755 1.00 0.00 O ATOM 287 CB LYS A 21 -10.662 13.149 -10.615 1.00 0.00 C ATOM 288 CG LYS A 21 -9.912 14.470 -10.644 1.00 0.00 C ATOM 289 CD LYS A 21 -10.696 15.539 -11.386 1.00 0.00 C ATOM 290 CE LYS A 21 -10.532 15.406 -12.892 1.00 0.00 C ATOM 291 NZ LYS A 21 -11.058 16.598 -13.615 1.00 0.00 N ATOM 0 H LYS A 21 -9.042 11.192 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.082 12.917 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.443 12.596 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.734 13.349 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.718 14.802 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.943 14.329 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.752 15.464 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.359 16.526 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.477 15.272 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.053 14.513 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.928 16.469 -14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.071 16.712 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.543 17.447 -13.305 1.00 0.00 H new ATOM 305 N VAL A 22 -12.155 11.723 -7.926 1.00 0.00 N ATOM 306 CA VAL A 22 -13.314 10.967 -7.467 1.00 0.00 C ATOM 307 C VAL A 22 -14.479 11.893 -7.136 1.00 0.00 C ATOM 308 O VAL A 22 -14.339 12.826 -6.345 1.00 0.00 O ATOM 309 CB VAL A 22 -12.976 10.121 -6.224 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.772 9.232 -6.494 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.728 11.019 -5.021 1.00 0.00 C ATOM 0 H VAL A 22 -11.895 12.504 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.602 10.303 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.828 9.479 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.548 8.642 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.992 8.564 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.911 9.852 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.491 10.406 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.893 11.688 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.622 11.608 -4.816 1.00 0.00 H new ATOM 321 N PHE A 23 -15.629 11.630 -7.747 1.00 0.00 N ATOM 322 CA PHE A 23 -16.819 12.440 -7.519 1.00 0.00 C ATOM 323 C PHE A 23 -17.067 12.633 -6.025 1.00 0.00 C ATOM 324 O PHE A 23 -16.624 11.833 -5.201 1.00 0.00 O ATOM 325 CB PHE A 23 -18.040 11.786 -8.169 1.00 0.00 C ATOM 326 CG PHE A 23 -19.128 12.762 -8.518 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.835 13.930 -9.203 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.443 12.510 -8.162 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.834 14.830 -9.525 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.446 13.406 -8.481 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.141 14.567 -9.164 1.00 0.00 C ATOM 0 H PHE A 23 -15.762 10.861 -8.404 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.655 13.418 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.725 11.266 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.442 11.032 -7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.815 14.140 -9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.687 11.603 -7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.593 15.738 -10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.467 13.198 -8.196 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.923 15.268 -9.415 1.00 0.00 H new ATOM 341 N THR A 24 -17.779 13.703 -5.683 1.00 0.00 N ATOM 342 CA THR A 24 -18.085 14.004 -4.290 1.00 0.00 C ATOM 343 C THR A 24 -19.252 13.161 -3.790 1.00 0.00 C ATOM 344 O THR A 24 -20.262 13.011 -4.476 1.00 0.00 O ATOM 345 CB THR A 24 -18.423 15.494 -4.099 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.689 15.762 -2.717 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.630 15.887 -4.938 1.00 0.00 C ATOM 0 H THR A 24 -18.154 14.375 -6.352 1.00 0.00 H new ATOM 0 HA THR A 24 -17.193 13.765 -3.711 1.00 0.00 H new ATOM 0 HB THR A 24 -17.566 16.083 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.901 16.712 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.850 16.944 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.415 15.708 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.492 15.291 -4.638 1.00 0.00 H new ATOM 355 N GLY A 25 -19.107 12.612 -2.587 1.00 0.00 N ATOM 356 CA GLY A 25 -20.158 11.791 -2.015 1.00 0.00 C ATOM 357 C GLY A 25 -20.097 10.354 -2.494 1.00 0.00 C ATOM 358 O GLY A 25 -20.052 9.425 -1.688 1.00 0.00 O ATOM 0 H GLY A 25 -18.281 12.721 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.080 11.812 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.128 12.216 -2.273 1.00 0.00 H new ATOM 362 N SER A 26 -20.098 10.170 -3.811 1.00 0.00 N ATOM 363 CA SER A 26 -20.048 8.836 -4.397 1.00 0.00 C ATOM 364 C SER A 26 -18.865 8.045 -3.846 1.00 0.00 C ATOM 365 O SER A 26 -17.771 8.581 -3.676 1.00 0.00 O ATOM 366 CB SER A 26 -19.950 8.928 -5.921 1.00 0.00 C ATOM 367 OG SER A 26 -21.067 9.609 -6.463 1.00 0.00 O ATOM 0 H SER A 26 -20.133 10.929 -4.492 1.00 0.00 H new ATOM 0 HA SER A 26 -20.967 8.314 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.033 9.448 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.890 7.926 -6.346 1.00 0.00 H new ATOM 0 HG SER A 26 -20.980 9.656 -7.438 1.00 0.00 H new ATOM 373 N ALA A 27 -19.095 6.765 -3.570 1.00 0.00 N ATOM 374 CA ALA A 27 -18.049 5.899 -3.041 1.00 0.00 C ATOM 375 C ALA A 27 -17.354 5.131 -4.160 1.00 0.00 C ATOM 376 O ALA A 27 -18.006 4.589 -5.053 1.00 0.00 O ATOM 377 CB ALA A 27 -18.630 4.934 -2.018 1.00 0.00 C ATOM 0 H ALA A 27 -19.996 6.306 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.305 6.527 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.838 4.293 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.074 5.498 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.395 4.319 -2.492 1.00 0.00 H new ATOM 383 N HIS A 28 -16.026 5.088 -4.106 1.00 0.00 N ATOM 384 CA HIS A 28 -15.242 4.386 -5.116 1.00 0.00 C ATOM 385 C HIS A 28 -14.699 3.071 -4.565 1.00 0.00 C ATOM 386 O HIS A 28 -14.395 2.963 -3.377 1.00 0.00 O ATOM 387 CB HIS A 28 -14.089 5.265 -5.599 1.00 0.00 C ATOM 388 CG HIS A 28 -14.521 6.376 -6.505 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.321 6.355 -7.870 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.148 7.545 -6.236 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.804 7.464 -8.400 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.312 8.203 -7.430 1.00 0.00 N ATOM 0 H HIS A 28 -15.471 5.531 -3.374 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.897 4.164 -5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.580 5.690 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.363 4.642 -6.122 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.871 5.601 -8.389 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.461 7.895 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.787 7.723 -9.448 1.00 0.00 H new ATOM 400 N CYS A 29 -14.581 2.074 -5.436 1.00 0.00 N ATOM 401 CA CYS A 29 -14.076 0.766 -5.036 1.00 0.00 C ATOM 402 C CYS A 29 -12.635 0.575 -5.496 1.00 0.00 C ATOM 403 O CYS A 29 -12.335 0.667 -6.687 1.00 0.00 O ATOM 404 CB CYS A 29 -14.959 -0.343 -5.612 1.00 0.00 C ATOM 405 SG CYS A 29 -15.010 -0.382 -7.419 1.00 0.00 S ATOM 0 H CYS A 29 -14.828 2.147 -6.423 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.101 0.712 -3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.599 -1.305 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.973 -0.219 -5.233 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.890 0.074 -7.895 1.00 0.00 H new ATOM 411 N TYR A 30 -11.746 0.311 -4.545 1.00 0.00 N ATOM 412 CA TYR A 30 -10.334 0.112 -4.852 1.00 0.00 C ATOM 413 C TYR A 30 -9.838 -1.219 -4.296 1.00 0.00 C ATOM 414 O TYR A 30 -10.480 -1.822 -3.436 1.00 0.00 O ATOM 415 CB TYR A 30 -9.500 1.259 -4.281 1.00 0.00 C ATOM 416 CG TYR A 30 -10.042 2.629 -4.618 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.168 3.043 -5.938 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.431 3.510 -3.616 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.663 4.294 -6.251 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.928 4.763 -3.919 1.00 0.00 C ATOM 421 CZ TYR A 30 -11.042 5.150 -5.238 1.00 0.00 C ATOM 422 OH TYR A 30 -11.536 6.397 -5.545 1.00 0.00 O ATOM 0 H TYR A 30 -11.978 0.230 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.223 0.096 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.448 1.155 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.480 1.178 -4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.874 2.375 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.343 3.210 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.753 4.600 -7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.225 5.435 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.775 6.429 -6.495 1.00 0.00 H new ATOM 432 N GLU A 31 -8.691 -1.671 -4.793 1.00 0.00 N ATOM 433 CA GLU A 31 -8.108 -2.930 -4.346 1.00 0.00 C ATOM 434 C GLU A 31 -6.596 -2.803 -4.184 1.00 0.00 C ATOM 435 O GLU A 31 -5.912 -2.262 -5.052 1.00 0.00 O ATOM 436 CB GLU A 31 -8.434 -4.049 -5.338 1.00 0.00 C ATOM 437 CG GLU A 31 -7.994 -5.426 -4.868 1.00 0.00 C ATOM 438 CD GLU A 31 -7.891 -6.424 -6.005 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.408 -6.038 -7.090 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.292 -7.590 -5.810 1.00 0.00 O ATOM 0 H GLU A 31 -8.147 -1.184 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.540 -3.177 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.509 -4.062 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.954 -3.829 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.027 -5.345 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.702 -5.797 -4.127 1.00 0.00 H new ATOM 447 N ALA A 32 -6.083 -3.306 -3.066 1.00 0.00 N ATOM 448 CA ALA A 32 -4.652 -3.250 -2.790 1.00 0.00 C ATOM 449 C ALA A 32 -4.111 -4.627 -2.418 1.00 0.00 C ATOM 450 O ALA A 32 -4.548 -5.231 -1.438 1.00 0.00 O ATOM 451 CB ALA A 32 -4.368 -2.251 -1.679 1.00 0.00 C ATOM 0 H ALA A 32 -6.636 -3.757 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.144 -2.922 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.296 -2.219 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.711 -1.262 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.893 -2.555 -0.774 1.00 0.00 H new ATOM 457 N ILE A 33 -3.159 -5.116 -3.206 1.00 0.00 N ATOM 458 CA ILE A 33 -2.559 -6.421 -2.958 1.00 0.00 C ATOM 459 C ILE A 33 -1.317 -6.297 -2.081 1.00 0.00 C ATOM 460 O ILE A 33 -0.551 -5.341 -2.204 1.00 0.00 O ATOM 461 CB ILE A 33 -2.177 -7.124 -4.274 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.241 -6.867 -5.342 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.999 -8.617 -4.044 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.618 -7.359 -4.955 1.00 0.00 C ATOM 0 H ILE A 33 -2.787 -4.628 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.308 -7.020 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.230 -6.715 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.290 -5.797 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.938 -7.353 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.729 -9.100 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.209 -8.781 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.932 -9.042 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.321 -7.143 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.585 -8.435 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.942 -6.854 -4.045 1.00 0.00 H new ATOM 476 N LEU A 34 -1.124 -7.271 -1.199 1.00 0.00 N ATOM 477 CA LEU A 34 0.027 -7.273 -0.302 1.00 0.00 C ATOM 478 C LEU A 34 0.763 -8.607 -0.364 1.00 0.00 C ATOM 479 O LEU A 34 0.202 -9.653 -0.039 1.00 0.00 O ATOM 480 CB LEU A 34 -0.420 -6.991 1.133 1.00 0.00 C ATOM 481 CG LEU A 34 0.678 -6.559 2.106 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.018 -5.089 1.909 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.253 -6.822 3.543 1.00 0.00 C ATOM 0 H LEU A 34 -1.749 -8.069 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 34 0.710 -6.487 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.183 -6.213 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.894 -7.890 1.528 1.00 0.00 H new ATOM 0 HG LEU A 34 1.571 -7.149 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.801 -4.800 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.367 -4.930 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.130 -4.483 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.047 -6.508 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.655 -6.260 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.062 -7.887 3.677 1.00 0.00 H new ATOM 495 N TYR A 35 2.023 -8.562 -0.783 1.00 0.00 N ATOM 496 CA TYR A 35 2.837 -9.767 -0.888 1.00 0.00 C ATOM 497 C TYR A 35 3.558 -10.055 0.426 1.00 0.00 C ATOM 498 O TYR A 35 4.324 -9.229 0.920 1.00 0.00 O ATOM 499 CB TYR A 35 3.856 -9.623 -2.020 1.00 0.00 C ATOM 500 CG TYR A 35 3.233 -9.620 -3.398 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.339 -8.625 -3.775 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.538 -10.611 -4.322 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.767 -8.618 -5.033 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.972 -10.612 -5.582 1.00 0.00 C ATOM 505 CZ TYR A 35 2.087 -9.613 -5.933 1.00 0.00 C ATOM 506 OH TYR A 35 1.520 -9.611 -7.187 1.00 0.00 O ATOM 0 H TYR A 35 2.503 -7.704 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 35 2.174 -10.604 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.413 -8.697 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.575 -10.440 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.087 -7.844 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.230 -11.395 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.073 -7.838 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.221 -11.390 -6.288 1.00 0.00 H new ATOM 0 HH TYR A 35 1.852 -10.379 -7.697 1.00 0.00 H new ATOM 516 N ASN A 36 3.305 -11.233 0.986 1.00 0.00 N ATOM 517 CA ASN A 36 3.929 -11.631 2.242 1.00 0.00 C ATOM 518 C ASN A 36 5.246 -12.359 1.989 1.00 0.00 C ATOM 519 O ASN A 36 5.260 -13.497 1.521 1.00 0.00 O ATOM 520 CB ASN A 36 2.984 -12.529 3.043 1.00 0.00 C ATOM 521 CG ASN A 36 3.533 -12.869 4.415 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.164 -12.037 5.067 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.296 -14.098 4.860 1.00 0.00 N ATOM 0 H ASN A 36 2.672 -11.928 0.590 1.00 0.00 H new ATOM 0 HA ASN A 36 4.137 -10.729 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.021 -12.031 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.805 -13.450 2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.642 -14.384 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.768 -14.755 4.286 1.00 0.00 H new ATOM 530 N LYS A 37 6.353 -11.694 2.303 1.00 0.00 N ATOM 531 CA LYS A 37 7.676 -12.276 2.113 1.00 0.00 C ATOM 532 C LYS A 37 8.171 -12.934 3.397 1.00 0.00 C ATOM 533 O LYS A 37 9.316 -12.740 3.803 1.00 0.00 O ATOM 534 CB LYS A 37 8.668 -11.202 1.662 1.00 0.00 C ATOM 535 CG LYS A 37 8.601 -10.896 0.176 1.00 0.00 C ATOM 536 CD LYS A 37 7.233 -10.372 -0.224 1.00 0.00 C ATOM 537 CE LYS A 37 7.128 -10.178 -1.729 1.00 0.00 C ATOM 538 NZ LYS A 37 8.420 -9.733 -2.322 1.00 0.00 N ATOM 0 H LYS A 37 6.360 -10.751 2.691 1.00 0.00 H new ATOM 0 HA LYS A 37 7.601 -13.041 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.478 -10.286 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.679 -11.525 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.363 -10.159 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.827 -11.798 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.464 -11.069 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.044 -9.424 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.817 -11.113 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.355 -9.441 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.252 -9.355 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.839 -8.992 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.072 -10.541 -2.380 1.00 0.00 H new ATOM 552 N GLY A 38 7.301 -13.714 4.030 1.00 0.00 N ATOM 553 CA GLY A 38 7.669 -14.390 5.261 1.00 0.00 C ATOM 554 C GLY A 38 7.840 -15.885 5.072 1.00 0.00 C ATOM 555 O GLY A 38 7.285 -16.468 4.142 1.00 0.00 O ATOM 0 H GLY A 38 6.348 -13.890 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.599 -13.966 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.904 -14.207 6.015 1.00 0.00 H new ATOM 559 N SER A 39 8.613 -16.506 5.958 1.00 0.00 N ATOM 560 CA SER A 39 8.860 -17.941 5.881 1.00 0.00 C ATOM 561 C SER A 39 7.599 -18.729 6.224 1.00 0.00 C ATOM 562 O SER A 39 7.401 -19.845 5.741 1.00 0.00 O ATOM 563 CB SER A 39 9.994 -18.336 6.830 1.00 0.00 C ATOM 564 OG SER A 39 10.301 -19.714 6.712 1.00 0.00 O ATOM 0 H SER A 39 9.078 -16.038 6.736 1.00 0.00 H new ATOM 0 HA SER A 39 9.150 -18.180 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.881 -17.742 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.708 -18.111 7.857 1.00 0.00 H new ATOM 0 HG SER A 39 11.029 -19.941 7.327 1.00 0.00 H new ATOM 570 N ILE A 40 6.750 -18.140 7.059 1.00 0.00 N ATOM 571 CA ILE A 40 5.508 -18.786 7.465 1.00 0.00 C ATOM 572 C ILE A 40 4.376 -17.771 7.590 1.00 0.00 C ATOM 573 O ILE A 40 4.554 -16.589 7.295 1.00 0.00 O ATOM 574 CB ILE A 40 5.670 -19.525 8.806 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.571 -18.724 9.749 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.236 -20.918 8.579 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.887 -17.524 10.365 1.00 0.00 C ATOM 0 H ILE A 40 6.899 -17.217 7.467 1.00 0.00 H new ATOM 0 HA ILE A 40 5.260 -19.510 6.689 1.00 0.00 H new ATOM 0 HB ILE A 40 4.689 -19.625 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.923 -19.379 10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.451 -18.388 9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.344 -21.427 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.559 -21.486 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.210 -20.841 8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.585 -17.004 11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.559 -16.847 9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.023 -17.854 10.942 1.00 0.00 H new ATOM 589 N ASP A 41 3.214 -18.240 8.030 1.00 0.00 N ATOM 590 CA ASP A 41 2.053 -17.373 8.197 1.00 0.00 C ATOM 591 C ASP A 41 2.445 -16.066 8.878 1.00 0.00 C ATOM 592 O ASP A 41 2.849 -16.057 10.040 1.00 0.00 O ATOM 593 CB ASP A 41 0.973 -18.084 9.013 1.00 0.00 C ATOM 594 CG ASP A 41 0.740 -19.508 8.549 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.654 -20.343 8.715 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.357 -19.788 8.022 1.00 0.00 O ATOM 0 H ASP A 41 3.051 -19.216 8.278 1.00 0.00 H new ATOM 0 HA ASP A 41 1.657 -17.142 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.261 -18.090 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.040 -17.524 8.941 1.00 0.00 H new ATOM 601 N ALA A 42 2.324 -14.963 8.145 1.00 0.00 N ATOM 602 CA ALA A 42 2.665 -13.650 8.679 1.00 0.00 C ATOM 603 C ALA A 42 1.411 -12.871 9.060 1.00 0.00 C ATOM 604 O ALA A 42 0.540 -12.628 8.224 1.00 0.00 O ATOM 605 CB ALA A 42 3.489 -12.867 7.668 1.00 0.00 C ATOM 0 H ALA A 42 1.993 -14.953 7.180 1.00 0.00 H new ATOM 0 HA ALA A 42 3.260 -13.794 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.736 -11.889 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.408 -13.411 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.914 -12.740 6.751 1.00 0.00 H new ATOM 611 N LEU A 43 1.325 -12.481 10.327 1.00 0.00 N ATOM 612 CA LEU A 43 0.177 -11.728 10.820 1.00 0.00 C ATOM 613 C LEU A 43 0.306 -10.248 10.475 1.00 0.00 C ATOM 614 O LEU A 43 1.411 -9.737 10.293 1.00 0.00 O ATOM 615 CB LEU A 43 0.041 -11.900 12.334 1.00 0.00 C ATOM 616 CG LEU A 43 0.007 -13.341 12.846 1.00 0.00 C ATOM 617 CD1 LEU A 43 1.399 -13.953 12.810 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.564 -13.393 14.255 1.00 0.00 C ATOM 0 H LEU A 43 2.037 -12.674 11.032 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.717 -12.118 10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.873 -11.385 12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.872 -11.400 12.656 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.641 -13.924 12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.355 -14.978 13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.771 -13.951 11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.069 -13.369 13.441 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.581 -14.426 14.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.058 -12.795 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.579 -12.995 14.251 1.00 0.00 H new ATOM 630 N PHE A 44 -0.830 -9.564 10.387 1.00 0.00 N ATOM 631 CA PHE A 44 -0.844 -8.142 10.065 1.00 0.00 C ATOM 632 C PHE A 44 -2.069 -7.460 10.666 1.00 0.00 C ATOM 633 O PHE A 44 -2.919 -8.110 11.273 1.00 0.00 O ATOM 634 CB PHE A 44 -0.827 -7.941 8.548 1.00 0.00 C ATOM 635 CG PHE A 44 -2.013 -8.544 7.851 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.088 -9.912 7.641 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.051 -7.744 7.404 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.178 -10.470 7.000 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.144 -8.296 6.762 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.206 -9.661 6.559 1.00 0.00 C ATOM 0 H PHE A 44 -1.753 -9.972 10.534 1.00 0.00 H new ATOM 0 HA PHE A 44 0.049 -7.689 10.495 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.792 -6.873 8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.085 -8.379 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.286 -10.549 7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.006 -6.676 7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.225 -11.538 6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.948 -7.661 6.420 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.058 -10.095 6.056 1.00 0.00 H new ATOM 650 N ASN A 45 -2.151 -6.145 10.493 1.00 0.00 N ATOM 651 CA ASN A 45 -3.271 -5.373 11.019 1.00 0.00 C ATOM 652 C ASN A 45 -3.204 -3.925 10.545 1.00 0.00 C ATOM 653 O ASN A 45 -2.123 -3.392 10.296 1.00 0.00 O ATOM 654 CB ASN A 45 -3.277 -5.421 12.548 1.00 0.00 C ATOM 655 CG ASN A 45 -4.392 -4.587 13.149 1.00 0.00 C ATOM 656 OD1 ASN A 45 -4.290 -3.363 13.234 1.00 0.00 O ATOM 657 ND2 ASN A 45 -5.465 -5.248 13.569 1.00 0.00 N ATOM 0 H ASN A 45 -1.455 -5.592 9.993 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.193 -5.817 10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.384 -6.455 12.876 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.318 -5.065 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.248 -4.740 13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.506 -6.263 13.479 1.00 0.00 H new ATOM 664 N MET A 46 -4.368 -3.294 10.423 1.00 0.00 N ATOM 665 CA MET A 46 -4.441 -1.906 9.980 1.00 0.00 C ATOM 666 C MET A 46 -4.578 -0.962 11.171 1.00 0.00 C ATOM 667 O MET A 46 -5.211 -1.297 12.173 1.00 0.00 O ATOM 668 CB MET A 46 -5.620 -1.714 9.024 1.00 0.00 C ATOM 669 CG MET A 46 -5.499 -2.520 7.741 1.00 0.00 C ATOM 670 SD MET A 46 -4.172 -1.929 6.672 1.00 0.00 S ATOM 671 CE MET A 46 -4.748 -0.273 6.302 1.00 0.00 C ATOM 0 H MET A 46 -5.272 -3.721 10.624 1.00 0.00 H new ATOM 0 HA MET A 46 -3.515 -1.669 9.455 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.541 -1.995 9.535 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.705 -0.657 8.773 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.322 -3.566 7.989 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.444 -2.477 7.199 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.697 -0.102 5.227 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.779 -0.163 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.119 0.454 6.815 1.00 0.00 H new ATOM 681 N THR A 47 -3.981 0.220 11.055 1.00 0.00 N ATOM 682 CA THR A 47 -4.035 1.211 12.122 1.00 0.00 C ATOM 683 C THR A 47 -5.058 2.298 11.811 1.00 0.00 C ATOM 684 O THR A 47 -5.106 2.840 10.707 1.00 0.00 O ATOM 685 CB THR A 47 -2.660 1.866 12.351 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.809 0.976 13.082 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.804 3.176 13.111 1.00 0.00 C ATOM 0 H THR A 47 -3.454 0.514 10.232 1.00 0.00 H new ATOM 0 HA THR A 47 -4.333 0.684 13.028 1.00 0.00 H new ATOM 0 HB THR A 47 -2.216 2.076 11.378 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.206 0.516 12.461 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.820 3.620 13.261 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.428 3.862 12.538 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.267 2.986 14.079 1.00 0.00 H new ATOM 695 N PRO A 48 -5.895 2.627 12.806 1.00 0.00 N ATOM 696 CA PRO A 48 -6.931 3.654 12.663 1.00 0.00 C ATOM 697 C PRO A 48 -6.345 5.058 12.560 1.00 0.00 C ATOM 698 O PRO A 48 -5.552 5.489 13.397 1.00 0.00 O ATOM 699 CB PRO A 48 -7.753 3.510 13.946 1.00 0.00 C ATOM 700 CG PRO A 48 -6.810 2.917 14.935 1.00 0.00 C ATOM 701 CD PRO A 48 -5.893 2.022 14.149 1.00 0.00 C ATOM 0 HA PRO A 48 -7.513 3.522 11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.128 4.475 14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.620 2.868 13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.247 3.694 15.452 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.348 2.352 15.697 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.891 1.998 14.577 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.256 0.994 14.127 1.00 0.00 H new ATOM 709 N PRO A 49 -6.745 5.791 11.510 1.00 0.00 N ATOM 710 CA PRO A 49 -6.272 7.159 11.274 1.00 0.00 C ATOM 711 C PRO A 49 -6.821 8.147 12.297 1.00 0.00 C ATOM 712 O PRO A 49 -7.774 7.846 13.017 1.00 0.00 O ATOM 713 CB PRO A 49 -6.807 7.483 9.877 1.00 0.00 C ATOM 714 CG PRO A 49 -7.998 6.602 9.714 1.00 0.00 C ATOM 715 CD PRO A 49 -7.688 5.342 10.473 1.00 0.00 C ATOM 0 HA PRO A 49 -5.188 7.236 11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.078 8.535 9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.059 7.283 9.110 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.895 7.082 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.184 6.388 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.586 4.904 10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.245 4.583 9.828 1.00 0.00 H new ATOM 723 N THR A 50 -6.215 9.328 12.356 1.00 0.00 N ATOM 724 CA THR A 50 -6.643 10.361 13.292 1.00 0.00 C ATOM 725 C THR A 50 -7.157 11.592 12.555 1.00 0.00 C ATOM 726 O THR A 50 -7.403 12.634 13.163 1.00 0.00 O ATOM 727 CB THR A 50 -5.495 10.779 14.230 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.991 11.654 15.250 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.387 11.473 13.453 1.00 0.00 C ATOM 0 H THR A 50 -5.426 9.594 11.767 1.00 0.00 H new ATOM 0 HA THR A 50 -7.451 9.934 13.887 1.00 0.00 H new ATOM 0 HB THR A 50 -5.085 9.880 14.691 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.614 12.298 14.854 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.587 11.759 14.136 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.993 10.794 12.697 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.786 12.364 12.968 1.00 0.00 H new ATOM 737 N SER A 51 -7.316 11.466 11.241 1.00 0.00 N ATOM 738 CA SER A 51 -7.798 12.571 10.421 1.00 0.00 C ATOM 739 C SER A 51 -9.147 12.234 9.793 1.00 0.00 C ATOM 740 O SER A 51 -9.508 11.065 9.662 1.00 0.00 O ATOM 741 CB SER A 51 -6.782 12.902 9.326 1.00 0.00 C ATOM 742 OG SER A 51 -7.140 14.088 8.638 1.00 0.00 O ATOM 0 H SER A 51 -7.118 10.610 10.722 1.00 0.00 H new ATOM 0 HA SER A 51 -7.924 13.441 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.792 13.019 9.768 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.720 12.073 8.621 1.00 0.00 H new ATOM 0 HG SER A 51 -6.780 14.059 7.727 1.00 0.00 H new ATOM 748 N ALA A 52 -9.888 13.267 9.407 1.00 0.00 N ATOM 749 CA ALA A 52 -11.196 13.082 8.792 1.00 0.00 C ATOM 750 C ALA A 52 -11.095 12.222 7.537 1.00 0.00 C ATOM 751 O ALA A 52 -11.795 11.217 7.402 1.00 0.00 O ATOM 752 CB ALA A 52 -11.820 14.430 8.462 1.00 0.00 C ATOM 0 H ALA A 52 -9.604 14.241 9.509 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.836 12.563 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.797 14.276 8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.936 15.011 9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.175 14.970 7.769 1.00 0.00 H new ATOM 758 N LEU A 53 -10.222 12.623 6.619 1.00 0.00 N ATOM 759 CA LEU A 53 -10.030 11.888 5.373 1.00 0.00 C ATOM 760 C LEU A 53 -9.571 10.460 5.648 1.00 0.00 C ATOM 761 O LEU A 53 -10.215 9.499 5.231 1.00 0.00 O ATOM 762 CB LEU A 53 -9.008 12.604 4.489 1.00 0.00 C ATOM 763 CG LEU A 53 -9.566 13.667 3.543 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.395 13.021 2.443 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.397 14.683 4.313 1.00 0.00 C ATOM 0 H LEU A 53 -9.636 13.453 6.714 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.987 11.848 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.266 13.074 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.485 11.856 3.894 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.729 14.189 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.784 13.793 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.770 12.333 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.226 12.473 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.786 15.432 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.227 14.176 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.773 15.169 5.063 1.00 0.00 H new ATOM 777 N GLY A 54 -8.453 10.329 6.356 1.00 0.00 N ATOM 778 CA GLY A 54 -7.927 9.015 6.676 1.00 0.00 C ATOM 779 C GLY A 54 -9.006 8.058 7.144 1.00 0.00 C ATOM 780 O GLY A 54 -9.059 6.910 6.704 1.00 0.00 O ATOM 0 H GLY A 54 -7.902 11.110 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.434 8.600 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.168 9.110 7.452 1.00 0.00 H new ATOM 784 N ALA A 55 -9.867 8.530 8.039 1.00 0.00 N ATOM 785 CA ALA A 55 -10.949 7.708 8.566 1.00 0.00 C ATOM 786 C ALA A 55 -11.920 7.305 7.462 1.00 0.00 C ATOM 787 O ALA A 55 -12.215 6.123 7.283 1.00 0.00 O ATOM 788 CB ALA A 55 -11.683 8.449 9.674 1.00 0.00 C ATOM 0 H ALA A 55 -9.836 9.478 8.414 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.513 6.798 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.489 7.823 10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.987 8.680 10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.100 9.375 9.278 1.00 0.00 H new ATOM 794 N CYS A 56 -12.414 8.294 6.726 1.00 0.00 N ATOM 795 CA CYS A 56 -13.354 8.042 5.639 1.00 0.00 C ATOM 796 C CYS A 56 -13.022 6.737 4.924 1.00 0.00 C ATOM 797 O CYS A 56 -13.915 6.000 4.507 1.00 0.00 O ATOM 798 CB CYS A 56 -13.337 9.202 4.643 1.00 0.00 C ATOM 799 SG CYS A 56 -14.468 10.550 5.059 1.00 0.00 S ATOM 0 H CYS A 56 -12.180 9.277 6.862 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.352 7.956 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.324 9.599 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.591 8.821 3.654 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.957 11.265 6.017 1.00 0.00 H new ATOM 805 N PHE A 57 -11.730 6.457 4.784 1.00 0.00 N ATOM 806 CA PHE A 57 -11.279 5.242 4.117 1.00 0.00 C ATOM 807 C PHE A 57 -11.559 4.013 4.977 1.00 0.00 C ATOM 808 O PHE A 57 -11.441 4.058 6.202 1.00 0.00 O ATOM 809 CB PHE A 57 -9.783 5.330 3.806 1.00 0.00 C ATOM 810 CG PHE A 57 -9.472 6.146 2.584 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.596 7.526 2.607 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.056 5.534 1.413 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.311 8.279 1.483 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.770 6.282 0.287 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.897 7.657 0.322 1.00 0.00 C ATOM 0 H PHE A 57 -10.977 7.056 5.124 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.832 5.144 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.267 5.762 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.388 4.323 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.919 8.018 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.954 4.459 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.412 9.354 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.447 5.792 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.673 8.244 -0.556 1.00 0.00 H new ATOM 825 N VAL A 58 -11.931 2.915 4.327 1.00 0.00 N ATOM 826 CA VAL A 58 -12.228 1.673 5.031 1.00 0.00 C ATOM 827 C VAL A 58 -11.341 0.536 4.536 1.00 0.00 C ATOM 828 O VAL A 58 -11.603 -0.060 3.491 1.00 0.00 O ATOM 829 CB VAL A 58 -13.705 1.270 4.860 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.967 -0.083 5.504 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.618 2.335 5.446 1.00 0.00 C ATOM 0 H VAL A 58 -12.034 2.860 3.314 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.029 1.852 6.088 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.920 1.186 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.015 -0.351 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.338 -0.838 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.736 -0.030 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.658 2.034 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.404 2.453 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.448 3.282 4.934 1.00 0.00 H new ATOM 841 N PHE A 59 -10.292 0.238 5.295 1.00 0.00 N ATOM 842 CA PHE A 59 -9.365 -0.828 4.934 1.00 0.00 C ATOM 843 C PHE A 59 -9.744 -2.135 5.625 1.00 0.00 C ATOM 844 O PHE A 59 -9.938 -2.174 6.840 1.00 0.00 O ATOM 845 CB PHE A 59 -7.934 -0.437 5.307 1.00 0.00 C ATOM 846 CG PHE A 59 -7.378 0.676 4.466 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.716 1.994 4.726 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.517 0.404 3.415 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.207 3.020 3.953 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.004 1.427 2.639 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.348 2.736 2.909 1.00 0.00 C ATOM 0 H PHE A 59 -10.063 0.720 6.164 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.424 -0.977 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.909 -0.137 6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.290 -1.311 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.385 2.222 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.244 -0.618 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.480 4.043 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.334 1.202 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.947 3.537 2.305 1.00 0.00 H new ATOM 861 N SER A 60 -9.848 -3.204 4.841 1.00 0.00 N ATOM 862 CA SER A 60 -10.207 -4.512 5.375 1.00 0.00 C ATOM 863 C SER A 60 -9.508 -5.626 4.602 1.00 0.00 C ATOM 864 O SER A 60 -9.048 -5.440 3.475 1.00 0.00 O ATOM 865 CB SER A 60 -11.723 -4.710 5.319 1.00 0.00 C ATOM 866 OG SER A 60 -12.340 -4.268 6.516 1.00 0.00 O ATOM 0 H SER A 60 -9.689 -3.189 3.834 1.00 0.00 H new ATOM 0 HA SER A 60 -9.880 -4.555 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.133 -4.162 4.471 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.949 -5.764 5.157 1.00 0.00 H new ATOM 0 HG SER A 60 -11.795 -3.563 6.924 1.00 0.00 H new ATOM 872 N PRO A 61 -9.426 -6.813 5.221 1.00 0.00 N ATOM 873 CA PRO A 61 -9.970 -7.046 6.562 1.00 0.00 C ATOM 874 C PRO A 61 -9.178 -6.318 7.643 1.00 0.00 C ATOM 875 O PRO A 61 -7.952 -6.232 7.578 1.00 0.00 O ATOM 876 CB PRO A 61 -9.845 -8.561 6.737 1.00 0.00 C ATOM 877 CG PRO A 61 -8.729 -8.956 5.833 1.00 0.00 C ATOM 878 CD PRO A 61 -8.796 -8.019 4.659 1.00 0.00 C ATOM 0 HA PRO A 61 -10.990 -6.675 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.627 -8.823 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.771 -9.068 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.768 -8.877 6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.835 -9.992 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.805 -7.805 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.386 -8.438 3.844 1.00 0.00 H new ATOM 886 N LYS A 62 -9.887 -5.793 8.637 1.00 0.00 N ATOM 887 CA LYS A 62 -9.252 -5.073 9.734 1.00 0.00 C ATOM 888 C LYS A 62 -8.048 -5.845 10.266 1.00 0.00 C ATOM 889 O LYS A 62 -7.126 -5.259 10.832 1.00 0.00 O ATOM 890 CB LYS A 62 -10.256 -4.833 10.863 1.00 0.00 C ATOM 891 CG LYS A 62 -10.634 -6.094 11.620 1.00 0.00 C ATOM 892 CD LYS A 62 -11.712 -5.821 12.656 1.00 0.00 C ATOM 893 CE LYS A 62 -13.094 -5.777 12.024 1.00 0.00 C ATOM 894 NZ LYS A 62 -14.107 -5.189 12.945 1.00 0.00 N ATOM 0 H LYS A 62 -10.903 -5.853 8.705 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.907 -4.112 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.836 -4.111 11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.158 -4.385 10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.986 -6.849 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.751 -6.503 12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.686 -6.595 13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.508 -4.873 13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.055 -5.191 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.398 -6.786 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.036 -5.177 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.163 -5.762 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.830 -4.217 13.191 1.00 0.00 H new ATOM 908 N GLU A 63 -8.064 -7.161 10.079 1.00 0.00 N ATOM 909 CA GLU A 63 -6.973 -8.011 10.540 1.00 0.00 C ATOM 910 C GLU A 63 -7.045 -9.390 9.891 1.00 0.00 C ATOM 911 O GLU A 63 -8.115 -9.841 9.484 1.00 0.00 O ATOM 912 CB GLU A 63 -7.013 -8.149 12.063 1.00 0.00 C ATOM 913 CG GLU A 63 -8.126 -9.055 12.562 1.00 0.00 C ATOM 914 CD GLU A 63 -8.580 -8.703 13.966 1.00 0.00 C ATOM 915 OE1 GLU A 63 -8.940 -7.529 14.196 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.574 -9.600 14.834 1.00 0.00 O ATOM 0 H GLU A 63 -8.820 -7.661 9.612 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.033 -7.541 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.056 -8.539 12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.134 -7.161 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.975 -8.989 11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.783 -10.089 12.544 1.00 0.00 H new ATOM 923 N GLY A 64 -5.897 -10.054 9.796 1.00 0.00 N ATOM 924 CA GLY A 64 -5.852 -11.374 9.195 1.00 0.00 C ATOM 925 C GLY A 64 -4.440 -11.915 9.090 1.00 0.00 C ATOM 926 O GLY A 64 -3.501 -11.325 9.625 1.00 0.00 O ATOM 0 H GLY A 64 -4.998 -9.701 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.458 -12.060 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.297 -11.333 8.201 1.00 0.00 H new ATOM 930 N ILE A 65 -4.289 -13.040 8.400 1.00 0.00 N ATOM 931 CA ILE A 65 -2.981 -13.660 8.227 1.00 0.00 C ATOM 932 C ILE A 65 -2.690 -13.929 6.755 1.00 0.00 C ATOM 933 O ILE A 65 -3.528 -14.473 6.035 1.00 0.00 O ATOM 934 CB ILE A 65 -2.877 -14.983 9.009 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.018 -14.726 10.511 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.557 -15.676 8.706 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.151 -15.990 11.330 1.00 0.00 C ATOM 0 H ILE A 65 -5.056 -13.541 7.952 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.245 -12.957 8.618 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.689 -15.638 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.149 -14.167 10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.892 -14.097 10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.499 -16.609 9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.494 -15.889 7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.730 -15.027 8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.247 -15.732 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.036 -16.540 11.009 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.266 -16.611 11.187 1.00 0.00 H new ATOM 949 N ILE A 66 -1.497 -13.546 6.313 1.00 0.00 N ATOM 950 CA ILE A 66 -1.094 -13.748 4.927 1.00 0.00 C ATOM 951 C ILE A 66 -0.148 -14.937 4.797 1.00 0.00 C ATOM 952 O ILE A 66 0.905 -14.977 5.433 1.00 0.00 O ATOM 953 CB ILE A 66 -0.408 -12.495 4.352 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.199 -11.239 4.722 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.268 -12.614 2.841 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.610 -9.965 4.155 1.00 0.00 C ATOM 0 H ILE A 66 -0.792 -13.094 6.895 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.003 -13.947 4.360 1.00 0.00 H new ATOM 0 HB ILE A 66 0.589 -12.414 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.223 -11.346 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.247 -11.156 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.219 -11.721 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.333 -13.490 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.256 -12.716 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.222 -9.115 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.404 -9.834 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.588 -10.027 3.067 1.00 0.00 H new ATOM 968 N GLU A 67 -0.531 -15.903 3.968 1.00 0.00 N ATOM 969 CA GLU A 67 0.285 -17.092 3.754 1.00 0.00 C ATOM 970 C GLU A 67 1.690 -16.714 3.293 1.00 0.00 C ATOM 971 O GLU A 67 1.910 -15.664 2.689 1.00 0.00 O ATOM 972 CB GLU A 67 -0.373 -18.010 2.721 1.00 0.00 C ATOM 973 CG GLU A 67 -0.631 -17.335 1.385 1.00 0.00 C ATOM 974 CD GLU A 67 -1.195 -18.288 0.349 1.00 0.00 C ATOM 975 OE1 GLU A 67 -0.554 -19.329 0.090 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.277 -17.995 -0.202 1.00 0.00 O ATOM 0 H GLU A 67 -1.400 -15.885 3.434 1.00 0.00 H new ATOM 0 HA GLU A 67 0.364 -17.622 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.264 -18.880 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.318 -18.376 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.326 -16.508 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.300 -16.908 1.012 1.00 0.00 H new ATOM 983 N PRO A 68 2.664 -17.589 3.585 1.00 0.00 N ATOM 984 CA PRO A 68 4.064 -17.368 3.210 1.00 0.00 C ATOM 985 C PRO A 68 4.284 -17.475 1.705 1.00 0.00 C ATOM 986 O PRO A 68 3.797 -18.404 1.060 1.00 0.00 O ATOM 987 CB PRO A 68 4.807 -18.490 3.940 1.00 0.00 C ATOM 988 CG PRO A 68 3.790 -19.563 4.120 1.00 0.00 C ATOM 989 CD PRO A 68 2.473 -18.860 4.302 1.00 0.00 C ATOM 0 HA PRO A 68 4.405 -16.368 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.658 -18.845 3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.196 -18.148 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.763 -20.224 3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.025 -20.182 4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.648 -19.437 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.247 -18.697 5.356 1.00 0.00 H new ATOM 997 N SER A 69 5.021 -16.518 1.150 1.00 0.00 N ATOM 998 CA SER A 69 5.304 -16.502 -0.281 1.00 0.00 C ATOM 999 C SER A 69 4.020 -16.323 -1.086 1.00 0.00 C ATOM 1000 O SER A 69 3.903 -16.815 -2.207 1.00 0.00 O ATOM 1001 CB SER A 69 6.004 -17.797 -0.698 1.00 0.00 C ATOM 1002 OG SER A 69 6.917 -18.226 0.297 1.00 0.00 O ATOM 0 H SER A 69 5.433 -15.743 1.670 1.00 0.00 H new ATOM 0 HA SER A 69 5.963 -15.658 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.261 -18.575 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.533 -17.642 -1.639 1.00 0.00 H new ATOM 0 HG SER A 69 7.350 -19.056 0.008 1.00 0.00 H new ATOM 1008 N GLY A 70 3.058 -15.613 -0.504 1.00 0.00 N ATOM 1009 CA GLY A 70 1.795 -15.380 -1.180 1.00 0.00 C ATOM 1010 C GLY A 70 1.383 -13.922 -1.152 1.00 0.00 C ATOM 1011 O GLY A 70 2.199 -13.043 -0.872 1.00 0.00 O ATOM 0 H GLY A 70 3.131 -15.195 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.874 -15.712 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.018 -15.983 -0.710 1.00 0.00 H new ATOM 1015 N VAL A 71 0.113 -13.662 -1.445 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.407 -12.299 -1.453 1.00 0.00 C ATOM 1017 C VAL A 71 -1.778 -12.230 -0.790 1.00 0.00 C ATOM 1018 O VAL A 71 -2.437 -13.251 -0.598 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.514 -11.748 -2.887 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.828 -11.840 -3.597 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.589 -12.492 -3.665 1.00 0.00 C ATOM 0 H VAL A 71 -0.575 -14.377 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 71 0.297 -11.688 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.798 -10.697 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.732 -11.446 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.570 -11.258 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.145 -12.882 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.651 -12.089 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.337 -13.552 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.550 -12.369 -3.166 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.200 -11.019 -0.442 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.493 -10.816 0.201 1.00 0.00 C ATOM 1033 C GLN A 72 -4.194 -9.584 -0.362 1.00 0.00 C ATOM 1034 O GLN A 72 -3.616 -8.499 -0.415 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.318 -10.671 1.713 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.560 -10.159 2.424 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.691 -11.168 2.424 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.610 -12.207 3.080 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.754 -10.868 1.688 1.00 0.00 N ATOM 0 H GLN A 72 -1.666 -10.164 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.112 -11.689 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.042 -11.638 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.490 -9.990 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.306 -9.904 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.897 -9.241 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.779 -9.996 1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.546 -11.510 1.651 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.443 -9.760 -0.782 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.223 -8.662 -1.340 1.00 0.00 C ATOM 1050 C ALA A 73 -6.752 -7.750 -0.238 1.00 0.00 C ATOM 1051 O ALA A 73 -7.295 -8.220 0.762 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.372 -9.203 -2.177 1.00 0.00 C ATOM 0 H ALA A 73 -5.936 -10.652 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.568 -8.072 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.946 -8.372 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.975 -9.808 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.020 -9.818 -1.552 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.588 -6.445 -0.428 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.050 -5.468 0.550 1.00 0.00 C ATOM 1060 C ILE A 74 -8.189 -4.624 -0.012 1.00 0.00 C ATOM 1061 O ILE A 74 -8.008 -3.887 -0.981 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.908 -4.536 0.997 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.768 -5.350 1.613 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.424 -3.504 1.988 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.071 -5.859 3.005 1.00 0.00 C ATOM 0 H ILE A 74 -6.139 -6.040 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.408 -6.030 1.412 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.524 -4.011 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.547 -6.198 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.870 -4.733 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.605 -2.853 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.206 -2.907 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.831 -4.011 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.219 -6.427 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.263 -5.015 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.950 -6.503 2.974 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.361 -4.736 0.604 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.529 -3.982 0.166 1.00 0.00 C ATOM 1079 C GLN A 75 -10.523 -2.576 0.757 1.00 0.00 C ATOM 1080 O GLN A 75 -10.518 -2.405 1.976 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.813 -4.711 0.567 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.297 -5.708 -0.473 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.174 -6.556 -1.037 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -10.197 -6.034 -1.575 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.306 -7.871 -0.915 1.00 0.00 N ATOM 0 H GLN A 75 -9.527 -5.342 1.408 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.490 -3.900 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.645 -5.234 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.598 -3.976 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.048 -6.358 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.785 -5.171 -1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.133 -8.261 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.581 -8.492 -1.274 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.523 -1.573 -0.115 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.518 -0.183 0.321 1.00 0.00 C ATOM 1096 C ILE A 76 -11.768 0.548 -0.159 1.00 0.00 C ATOM 1097 O ILE A 76 -12.177 0.409 -1.311 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.272 0.563 -0.191 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.999 -0.114 0.320 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.313 2.022 0.240 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.755 0.281 -0.445 1.00 0.00 C ATOM 0 H ILE A 76 -10.526 -1.698 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.502 -0.194 1.411 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.268 0.527 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.863 0.134 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.124 -1.195 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.425 2.536 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.204 2.497 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.339 2.079 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.891 -0.237 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.871 0.007 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.605 1.358 -0.365 1.00 0.00 H new ATOM 1113 N SER A 77 -12.369 1.329 0.733 1.00 0.00 N ATOM 1114 CA SER A 77 -13.573 2.082 0.402 1.00 0.00 C ATOM 1115 C SER A 77 -13.512 3.489 0.987 1.00 0.00 C ATOM 1116 O SER A 77 -13.533 3.670 2.205 1.00 0.00 O ATOM 1117 CB SER A 77 -14.814 1.354 0.923 1.00 0.00 C ATOM 1118 OG SER A 77 -15.285 0.409 -0.023 1.00 0.00 O ATOM 0 H SER A 77 -12.042 1.457 1.691 1.00 0.00 H new ATOM 0 HA SER A 77 -13.635 2.161 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.577 0.849 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.599 2.078 1.141 1.00 0.00 H new ATOM 0 HG SER A 77 -16.077 -0.044 0.334 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.438 4.485 0.110 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.373 5.878 0.538 1.00 0.00 C ATOM 1126 C PHE A 78 -14.554 6.671 -0.013 1.00 0.00 C ATOM 1127 O PHE A 78 -15.010 6.431 -1.130 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.059 6.513 0.080 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.032 8.008 0.227 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.016 8.593 1.483 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -12.024 8.827 -0.890 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.992 9.968 1.622 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.999 10.203 -0.757 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.984 10.774 0.501 1.00 0.00 C ATOM 0 H PHE A 78 -13.422 4.353 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.419 5.901 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.238 6.085 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.885 6.255 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.022 7.967 2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.037 8.386 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.980 10.412 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.991 10.831 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.966 11.849 0.607 1.00 0.00 H new ATOM 1144 N SER A 79 -15.044 7.618 0.781 1.00 0.00 N ATOM 1145 CA SER A 79 -16.175 8.445 0.376 1.00 0.00 C ATOM 1146 C SER A 79 -16.335 9.641 1.309 1.00 0.00 C ATOM 1147 O SER A 79 -16.698 9.489 2.476 1.00 0.00 O ATOM 1148 CB SER A 79 -17.461 7.617 0.365 1.00 0.00 C ATOM 1149 OG SER A 79 -17.811 7.200 1.673 1.00 0.00 O ATOM 0 H SER A 79 -14.676 7.832 1.708 1.00 0.00 H new ATOM 0 HA SER A 79 -15.981 8.815 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.273 8.206 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.330 6.745 -0.275 1.00 0.00 H new ATOM 0 HG SER A 79 -17.536 7.884 2.319 1.00 0.00 H new ATOM 1155 N SER A 80 -16.062 10.832 0.787 1.00 0.00 N ATOM 1156 CA SER A 80 -16.171 12.056 1.573 1.00 0.00 C ATOM 1157 C SER A 80 -16.638 13.220 0.704 1.00 0.00 C ATOM 1158 O SER A 80 -16.588 13.151 -0.524 1.00 0.00 O ATOM 1159 CB SER A 80 -14.826 12.394 2.219 1.00 0.00 C ATOM 1160 OG SER A 80 -15.007 13.115 3.425 1.00 0.00 O ATOM 0 H SER A 80 -15.763 10.976 -0.178 1.00 0.00 H new ATOM 0 HA SER A 80 -16.911 11.891 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.274 11.476 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.224 12.982 1.527 1.00 0.00 H new ATOM 0 HG SER A 80 -14.904 12.508 4.188 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.091 14.288 1.351 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.566 15.468 0.639 1.00 0.00 C ATOM 1168 C ILE A 81 -16.493 16.550 0.592 1.00 0.00 C ATOM 1169 O ILE A 81 -16.480 17.386 -0.312 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.836 16.046 1.291 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.597 16.308 2.780 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.010 15.099 1.096 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -19.666 17.163 3.423 1.00 0.00 C ATOM 0 H ILE A 81 -17.139 14.361 2.367 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.802 15.150 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.075 16.994 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.542 15.354 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.630 16.796 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.900 15.522 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.191 14.958 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.782 14.137 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.431 17.307 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.706 18.132 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.632 16.667 3.331 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.595 16.528 1.571 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.517 17.506 1.640 1.00 0.00 C ATOM 1187 C ILE A 82 -13.800 17.630 0.300 1.00 0.00 C ATOM 1188 O ILE A 82 -12.843 16.904 0.026 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.490 17.136 2.727 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.159 17.104 4.102 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.331 18.123 2.718 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.480 16.174 5.083 1.00 0.00 C ATOM 0 H ILE A 82 -15.593 15.844 2.327 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.974 18.462 1.894 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.097 16.142 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.168 18.112 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.199 16.799 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.614 17.849 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.841 18.100 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.707 19.128 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.008 16.202 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.494 15.157 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.448 16.491 5.230 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.268 18.554 -0.532 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.670 18.774 -1.844 1.00 0.00 C ATOM 1206 C LEU A 83 -12.185 19.100 -1.719 1.00 0.00 C ATOM 1207 O LEU A 83 -11.698 19.417 -0.635 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.393 19.910 -2.571 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.875 19.680 -2.869 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.493 20.921 -3.494 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.056 18.475 -3.780 1.00 0.00 C ATOM 0 H LEU A 83 -15.059 19.162 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.774 17.855 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.300 20.816 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.878 20.097 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.387 19.479 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.548 20.738 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.397 21.761 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.977 21.154 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.117 18.327 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.529 18.646 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.652 17.587 -3.294 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.471 19.021 -2.838 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.049 19.312 -2.832 1.00 0.00 C ATOM 1225 C GLY A 84 -9.203 18.066 -2.665 1.00 0.00 C ATOM 1226 O GLY A 84 -9.718 16.997 -2.337 1.00 0.00 O ATOM 0 H GLY A 84 -11.852 18.761 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.779 19.808 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.827 20.009 -2.024 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.901 18.202 -2.892 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.981 17.076 -2.766 1.00 0.00 C ATOM 1232 C ASN A 85 -6.587 16.856 -1.309 1.00 0.00 C ATOM 1233 O ASN A 85 -6.583 17.791 -0.508 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.731 17.315 -3.614 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.154 18.704 -3.415 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.694 19.510 -2.657 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.050 18.989 -4.097 1.00 0.00 N ATOM 0 H ASN A 85 -7.459 19.080 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.490 16.181 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.976 16.571 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.977 17.174 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.616 19.907 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.637 18.290 -4.714 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.254 15.614 -0.973 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.858 15.270 0.388 1.00 0.00 C ATOM 1246 C PHE A 86 -4.702 14.274 0.382 1.00 0.00 C ATOM 1247 O PHE A 86 -4.549 13.491 -0.555 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.046 14.687 1.155 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.599 13.433 0.542 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.100 12.191 0.902 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.617 13.495 -0.396 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.606 11.036 0.338 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.128 12.343 -0.963 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.622 11.111 -0.595 1.00 0.00 C ATOM 0 H PHE A 86 -6.250 14.829 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.526 16.181 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.738 14.476 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.837 15.435 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.307 12.126 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.016 14.455 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.207 10.075 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.922 12.406 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.020 10.209 -1.036 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.892 14.310 1.436 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.750 13.412 1.552 1.00 0.00 C ATOM 1266 C GLU A 87 -2.784 12.657 2.878 1.00 0.00 C ATOM 1267 O GLU A 87 -2.338 13.167 3.905 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.441 14.196 1.432 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.294 13.381 0.859 1.00 0.00 C ATOM 1270 CD GLU A 87 0.721 14.237 0.128 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.546 14.454 -1.090 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.691 14.690 0.771 1.00 0.00 O ATOM 0 H GLU A 87 -4.006 14.951 2.221 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.806 12.688 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.607 15.069 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.157 14.565 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.204 12.843 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.692 12.632 0.175 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.316 11.439 2.845 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.409 10.615 4.044 1.00 0.00 C ATOM 1281 C GLU A 88 -2.422 9.453 3.984 1.00 0.00 C ATOM 1282 O GLU A 88 -2.069 8.982 2.904 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.833 10.081 4.214 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.850 11.157 4.554 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.542 11.859 5.862 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -5.247 11.160 6.854 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -5.596 13.106 5.895 1.00 0.00 O ATOM 0 H GLU A 88 -3.689 11.002 2.002 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.158 11.238 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.138 9.583 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.838 9.327 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.878 11.892 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.842 10.709 4.611 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.983 8.996 5.152 1.00 0.00 N ATOM 1295 CA GLU A 89 -1.036 7.890 5.232 1.00 0.00 C ATOM 1296 C GLU A 89 -1.582 6.768 6.110 1.00 0.00 C ATOM 1297 O GLU A 89 -2.159 7.018 7.169 1.00 0.00 O ATOM 1298 CB GLU A 89 0.306 8.377 5.783 1.00 0.00 C ATOM 1299 CG GLU A 89 1.111 9.198 4.790 1.00 0.00 C ATOM 1300 CD GLU A 89 0.492 10.556 4.519 1.00 0.00 C ATOM 1301 OE1 GLU A 89 0.171 11.267 5.494 1.00 0.00 O ATOM 1302 OE2 GLU A 89 0.330 10.907 3.331 1.00 0.00 O ATOM 0 H GLU A 89 -2.268 9.374 6.056 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.887 7.500 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.127 8.976 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.897 7.515 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.123 9.334 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.195 8.648 3.853 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.396 5.531 5.663 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.871 4.369 6.406 1.00 0.00 C ATOM 1311 C PHE A 90 -0.719 3.423 6.731 1.00 0.00 C ATOM 1312 O PHE A 90 0.144 3.166 5.891 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.945 3.629 5.605 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.134 4.481 5.267 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.151 5.242 4.109 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.236 4.520 6.107 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.245 6.027 3.795 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.332 5.302 5.797 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.337 6.058 4.641 1.00 0.00 C ATOM 0 H PHE A 90 -0.920 5.307 4.789 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.304 4.720 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.504 3.253 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.279 2.762 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.300 5.222 3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.238 3.933 7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.246 6.615 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.185 5.322 6.459 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.192 6.672 4.399 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.712 2.908 7.955 1.00 0.00 N ATOM 1330 CA LEU A 91 0.334 1.990 8.393 1.00 0.00 C ATOM 1331 C LEU A 91 -0.245 0.613 8.703 1.00 0.00 C ATOM 1332 O LEU A 91 -1.402 0.491 9.106 1.00 0.00 O ATOM 1333 CB LEU A 91 1.044 2.547 9.628 1.00 0.00 C ATOM 1334 CG LEU A 91 1.655 3.941 9.479 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.242 4.410 10.801 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.718 3.944 8.390 1.00 0.00 C ATOM 0 H LEU A 91 -1.419 3.110 8.662 1.00 0.00 H new ATOM 0 HA LEU A 91 1.055 1.886 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.331 2.571 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.836 1.853 9.911 1.00 0.00 H new ATOM 0 HG LEU A 91 0.865 4.634 9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.672 5.404 10.676 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.456 4.447 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.019 3.716 11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.142 4.944 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.507 3.238 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.268 3.652 7.441 1.00 0.00 H new ATOM 1348 N VAL A 92 0.568 -0.421 8.515 1.00 0.00 N ATOM 1349 CA VAL A 92 0.138 -1.789 8.777 1.00 0.00 C ATOM 1350 C VAL A 92 0.987 -2.432 9.868 1.00 0.00 C ATOM 1351 O VAL A 92 2.185 -2.649 9.690 1.00 0.00 O ATOM 1352 CB VAL A 92 0.214 -2.656 7.506 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.363 -4.038 7.766 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.509 -1.975 6.354 1.00 0.00 C ATOM 0 H VAL A 92 1.529 -0.337 8.182 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.899 -1.736 9.110 1.00 0.00 H new ATOM 0 HB VAL A 92 1.262 -2.773 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.300 -4.635 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.203 -4.525 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.406 -3.946 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.446 -2.601 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.556 -1.826 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.044 -1.010 6.153 1.00 0.00 H new ATOM 1364 N ASN A 93 0.357 -2.736 10.999 1.00 0.00 N ATOM 1365 CA ASN A 93 1.055 -3.355 12.120 1.00 0.00 C ATOM 1366 C ASN A 93 1.311 -4.835 11.852 1.00 0.00 C ATOM 1367 O ASN A 93 0.526 -5.498 11.174 1.00 0.00 O ATOM 1368 CB ASN A 93 0.242 -3.191 13.406 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.565 -1.907 13.421 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.086 -0.865 13.870 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.796 -1.977 12.928 1.00 0.00 N ATOM 0 H ASN A 93 -0.635 -2.564 11.163 1.00 0.00 H new ATOM 0 HA ASN A 93 2.016 -2.855 12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.431 -4.041 13.518 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.916 -3.203 14.263 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.386 -1.145 12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.151 -2.862 12.567 1.00 0.00 H new ATOM 1378 N VAL A 94 2.414 -5.346 12.389 1.00 0.00 N ATOM 1379 CA VAL A 94 2.773 -6.747 12.210 1.00 0.00 C ATOM 1380 C VAL A 94 3.294 -7.352 13.509 1.00 0.00 C ATOM 1381 O VAL A 94 3.693 -6.632 14.423 1.00 0.00 O ATOM 1382 CB VAL A 94 3.841 -6.917 11.113 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.277 -8.371 11.012 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.315 -6.417 9.776 1.00 0.00 C ATOM 0 H VAL A 94 3.075 -4.810 12.952 1.00 0.00 H new ATOM 0 HA VAL A 94 1.865 -7.270 11.908 1.00 0.00 H new ATOM 0 HB VAL A 94 4.712 -6.319 11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.032 -8.471 10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.696 -8.692 11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.416 -8.993 10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.082 -6.545 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.428 -6.986 9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.057 -5.361 9.858 1.00 0.00 H new ATOM 1394 N ASN A 95 3.288 -8.679 13.582 1.00 0.00 N ATOM 1395 CA ASN A 95 3.760 -9.381 14.770 1.00 0.00 C ATOM 1396 C ASN A 95 5.264 -9.625 14.695 1.00 0.00 C ATOM 1397 O ASN A 95 5.730 -10.464 13.925 1.00 0.00 O ATOM 1398 CB ASN A 95 3.023 -10.713 14.927 1.00 0.00 C ATOM 1399 CG ASN A 95 3.668 -11.611 15.964 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.898 -11.199 17.102 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.964 -12.846 15.576 1.00 0.00 N ATOM 0 H ASN A 95 2.962 -9.290 12.833 1.00 0.00 H new ATOM 0 HA ASN A 95 3.554 -8.755 15.638 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.988 -10.521 15.210 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.001 -11.229 13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.400 -13.496 16.231 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.756 -13.145 14.623 1.00 0.00 H new ATOM 1408 N GLY A 96 6.019 -8.886 15.502 1.00 0.00 N ATOM 1409 CA GLY A 96 7.463 -9.037 15.513 1.00 0.00 C ATOM 1410 C GLY A 96 8.133 -8.281 14.382 1.00 0.00 C ATOM 1411 O GLY A 96 9.074 -8.780 13.766 1.00 0.00 O ATOM 0 H GLY A 96 5.657 -8.185 16.149 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.855 -8.682 16.466 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.715 -10.095 15.439 1.00 0.00 H new ATOM 1415 N SER A 97 7.647 -7.075 14.109 1.00 0.00 N ATOM 1416 CA SER A 97 8.201 -6.250 13.042 1.00 0.00 C ATOM 1417 C SER A 97 8.731 -4.930 13.594 1.00 0.00 C ATOM 1418 O SER A 97 8.166 -4.343 14.517 1.00 0.00 O ATOM 1419 CB SER A 97 7.140 -5.981 11.973 1.00 0.00 C ATOM 1420 OG SER A 97 7.661 -5.175 10.930 1.00 0.00 O ATOM 0 H SER A 97 6.870 -6.647 14.612 1.00 0.00 H new ATOM 0 HA SER A 97 9.031 -6.793 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.784 -6.926 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.281 -5.486 12.425 1.00 0.00 H new ATOM 0 HG SER A 97 7.262 -4.281 10.977 1.00 0.00 H new ATOM 1426 N PRO A 98 9.842 -4.451 13.016 1.00 0.00 N ATOM 1427 CA PRO A 98 10.473 -3.195 13.432 1.00 0.00 C ATOM 1428 C PRO A 98 9.636 -1.975 13.061 1.00 0.00 C ATOM 1429 O PRO A 98 9.413 -1.091 13.887 1.00 0.00 O ATOM 1430 CB PRO A 98 11.796 -3.190 12.663 1.00 0.00 C ATOM 1431 CG PRO A 98 11.541 -4.041 11.467 1.00 0.00 C ATOM 1432 CD PRO A 98 10.568 -5.098 11.910 1.00 0.00 C ATOM 0 HA PRO A 98 10.593 -3.139 14.514 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.083 -2.179 12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.608 -3.592 13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.129 -3.450 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.465 -4.490 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.895 -5.388 11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.079 -6.002 12.240 1.00 0.00 H new ATOM 1440 N GLU A 99 9.176 -1.936 11.815 1.00 0.00 N ATOM 1441 CA GLU A 99 8.364 -0.823 11.336 1.00 0.00 C ATOM 1442 C GLU A 99 7.210 -1.324 10.472 1.00 0.00 C ATOM 1443 O GLU A 99 7.333 -2.302 9.734 1.00 0.00 O ATOM 1444 CB GLU A 99 9.225 0.159 10.538 1.00 0.00 C ATOM 1445 CG GLU A 99 10.050 1.091 11.408 1.00 0.00 C ATOM 1446 CD GLU A 99 11.127 1.818 10.627 1.00 0.00 C ATOM 1447 OE1 GLU A 99 10.774 2.633 9.748 1.00 0.00 O ATOM 1448 OE2 GLU A 99 12.322 1.572 10.892 1.00 0.00 O ATOM 0 H GLU A 99 9.351 -2.661 11.119 1.00 0.00 H new ATOM 0 HA GLU A 99 7.949 -0.309 12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.894 -0.404 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.579 0.755 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.391 1.822 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.513 0.517 12.211 1.00 0.00 H new ATOM 1455 N PRO A 100 6.061 -0.639 10.566 1.00 0.00 N ATOM 1456 CA PRO A 100 4.863 -0.995 9.801 1.00 0.00 C ATOM 1457 C PRO A 100 5.022 -0.715 8.310 1.00 0.00 C ATOM 1458 O PRO A 100 6.020 -0.137 7.880 1.00 0.00 O ATOM 1459 CB PRO A 100 3.778 -0.096 10.401 1.00 0.00 C ATOM 1460 CG PRO A 100 4.519 1.071 10.955 1.00 0.00 C ATOM 1461 CD PRO A 100 5.843 0.537 11.426 1.00 0.00 C ATOM 0 HA PRO A 100 4.639 -2.060 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.058 0.215 9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.218 -0.616 11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.657 1.841 10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.968 1.528 11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.638 1.273 11.309 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.814 0.264 12.481 1.00 0.00 H new ATOM 1469 N VAL A 101 4.032 -1.129 7.526 1.00 0.00 N ATOM 1470 CA VAL A 101 4.061 -0.921 6.083 1.00 0.00 C ATOM 1471 C VAL A 101 3.395 0.397 5.704 1.00 0.00 C ATOM 1472 O VAL A 101 2.173 0.472 5.571 1.00 0.00 O ATOM 1473 CB VAL A 101 3.361 -2.071 5.336 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.451 -1.864 3.831 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.964 -3.410 5.734 1.00 0.00 C ATOM 0 H VAL A 101 3.200 -1.611 7.866 1.00 0.00 H new ATOM 0 HA VAL A 101 5.110 -0.892 5.789 1.00 0.00 H new ATOM 0 HB VAL A 101 2.308 -2.074 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.951 -2.687 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.969 -0.924 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.498 -1.833 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.457 -4.211 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.025 -3.420 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.842 -3.559 6.807 1.00 0.00 H new ATOM 1485 N LYS A 102 4.206 1.435 5.530 1.00 0.00 N ATOM 1486 CA LYS A 102 3.696 2.751 5.164 1.00 0.00 C ATOM 1487 C LYS A 102 3.017 2.711 3.799 1.00 0.00 C ATOM 1488 O LYS A 102 3.502 2.063 2.871 1.00 0.00 O ATOM 1489 CB LYS A 102 4.834 3.775 5.150 1.00 0.00 C ATOM 1490 CG LYS A 102 4.382 5.181 4.794 1.00 0.00 C ATOM 1491 CD LYS A 102 5.273 6.232 5.436 1.00 0.00 C ATOM 1492 CE LYS A 102 4.547 7.559 5.591 1.00 0.00 C ATOM 1493 NZ LYS A 102 4.656 8.397 4.365 1.00 0.00 N ATOM 0 H LYS A 102 5.219 1.390 5.637 1.00 0.00 H new ATOM 0 HA LYS A 102 2.957 3.047 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.308 3.792 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.592 3.454 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.394 5.305 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.352 5.327 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.605 5.881 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.166 6.374 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.496 7.374 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.961 8.102 6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.207 9.320 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.659 8.538 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.178 7.919 3.574 1.00 0.00 H new ATOM 1507 N LEU A 103 1.892 3.409 3.683 1.00 0.00 N ATOM 1508 CA LEU A 103 1.146 3.455 2.430 1.00 0.00 C ATOM 1509 C LEU A 103 0.500 4.822 2.231 1.00 0.00 C ATOM 1510 O LEU A 103 -0.431 5.191 2.946 1.00 0.00 O ATOM 1511 CB LEU A 103 0.074 2.364 2.412 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.941 2.440 1.271 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.263 2.186 -0.066 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.071 1.445 1.496 1.00 0.00 C ATOM 0 H LEU A 103 1.477 3.951 4.441 1.00 0.00 H new ATOM 0 HA LEU A 103 1.846 3.282 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.571 1.395 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.468 2.399 3.357 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.365 3.444 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.002 2.244 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.510 2.937 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.190 1.194 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.784 1.513 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.663 0.435 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.576 1.674 2.435 1.00 0.00 H new ATOM 1526 N THR A 104 0.999 5.570 1.251 1.00 0.00 N ATOM 1527 CA THR A 104 0.470 6.895 0.956 1.00 0.00 C ATOM 1528 C THR A 104 -0.584 6.835 -0.144 1.00 0.00 C ATOM 1529 O THR A 104 -0.416 6.129 -1.139 1.00 0.00 O ATOM 1530 CB THR A 104 1.589 7.863 0.527 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.743 7.675 1.352 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.120 9.308 0.623 1.00 0.00 C ATOM 0 H THR A 104 1.769 5.280 0.648 1.00 0.00 H new ATOM 0 HA THR A 104 0.012 7.264 1.874 1.00 0.00 H new ATOM 0 HB THR A 104 1.847 7.649 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.450 8.293 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.927 9.974 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.259 9.455 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.838 9.531 1.652 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.669 7.578 0.042 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.749 7.610 -0.936 1.00 0.00 C ATOM 1542 C ILE A 105 -3.185 9.042 -1.229 1.00 0.00 C ATOM 1543 O ILE A 105 -3.836 9.684 -0.405 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.969 6.803 -0.454 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.584 5.338 -0.233 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.107 6.911 -1.458 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.725 4.483 0.272 1.00 0.00 C ATOM 0 H ILE A 105 -1.824 8.166 0.861 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.361 7.157 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.308 7.218 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.216 4.922 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.762 5.291 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.962 6.335 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.395 7.956 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.781 6.519 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.380 3.458 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.078 4.874 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.540 4.500 -0.451 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.822 9.535 -2.408 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.175 10.891 -2.810 1.00 0.00 C ATOM 1561 C ARG A 106 -4.300 10.877 -3.841 1.00 0.00 C ATOM 1562 O ARG A 106 -4.387 9.969 -4.667 1.00 0.00 O ATOM 1563 CB ARG A 106 -1.953 11.611 -3.383 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.551 11.123 -4.765 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.214 11.706 -5.194 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.355 13.050 -5.750 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.913 13.303 -6.928 1.00 0.00 C ATOM 1568 NH1 ARG A 106 -1.380 12.309 -7.672 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -1.005 14.552 -7.365 1.00 0.00 N ATOM 0 H ARG A 106 -2.284 9.016 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.522 11.426 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.161 12.680 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.112 11.480 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.491 10.035 -4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.319 11.400 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.459 11.737 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.245 11.053 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.006 13.837 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.311 11.347 -7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.808 12.507 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.647 15.319 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.434 14.745 -8.270 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.160 11.890 -3.786 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.267 11.974 -4.719 1.00 0.00 C ATOM 1585 C GLY A 107 -6.857 13.368 -4.794 1.00 0.00 C ATOM 1586 O GLY A 107 -6.269 14.327 -4.292 1.00 0.00 O ATOM 0 H GLY A 107 -5.109 12.654 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.927 11.673 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.044 11.270 -4.421 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.021 13.483 -5.424 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.690 14.772 -5.566 1.00 0.00 C ATOM 1592 C CYS A 108 -10.200 14.591 -5.677 1.00 0.00 C ATOM 1593 O CYS A 108 -10.693 13.945 -6.602 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.161 15.512 -6.795 1.00 0.00 C ATOM 1595 SG CYS A 108 -8.408 17.302 -6.742 1.00 0.00 S ATOM 0 H CYS A 108 -8.521 12.700 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.478 15.364 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.096 15.306 -6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.651 15.115 -7.684 1.00 0.00 H new ATOM 0 HG CYS A 108 -7.926 17.839 -7.823 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.931 15.166 -4.727 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.386 15.068 -4.717 1.00 0.00 C ATOM 1603 C VAL A 109 -13.022 16.257 -5.429 1.00 0.00 C ATOM 1604 O VAL A 109 -12.745 17.410 -5.099 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.934 14.991 -3.280 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.438 14.762 -3.293 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.227 13.894 -2.498 1.00 0.00 C ATOM 0 H VAL A 109 -10.539 15.705 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.645 14.151 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.739 15.942 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.807 14.710 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.927 15.585 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.659 13.826 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.627 13.854 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.388 12.935 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.159 14.106 -2.458 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.875 15.968 -6.405 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.551 17.014 -7.162 1.00 0.00 C ATOM 1619 C ILE A 110 -16.065 16.910 -7.012 1.00 0.00 C ATOM 1620 O ILE A 110 -16.586 15.893 -6.555 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.190 16.949 -8.658 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.660 15.625 -9.262 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.690 17.122 -8.848 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.607 15.597 -10.774 1.00 0.00 C ATOM 0 H ILE A 110 -14.115 15.018 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.212 17.967 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.699 17.762 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -14.043 14.817 -8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.683 15.430 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.450 17.074 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.382 18.089 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.162 16.327 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.954 14.628 -11.132 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.247 16.383 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.581 15.760 -11.105 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.768 17.969 -7.402 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.216 17.976 -7.304 1.00 0.00 C ATOM 1638 C GLY A 111 -18.884 18.303 -8.624 1.00 0.00 C ATOM 1639 O GLY A 111 -18.226 18.496 -9.647 1.00 0.00 O ATOM 0 H GLY A 111 -16.360 18.822 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.559 17.001 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.523 18.705 -6.554 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.224 18.367 -8.614 1.00 0.00 N ATOM 1644 CA PRO A 112 -21.011 18.671 -9.813 1.00 0.00 C ATOM 1645 C PRO A 112 -20.848 20.119 -10.261 1.00 0.00 C ATOM 1646 O PRO A 112 -19.979 20.433 -11.074 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.452 18.408 -9.367 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.432 18.600 -7.889 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.073 18.147 -7.431 1.00 0.00 C ATOM 0 HA PRO A 112 -20.699 18.072 -10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.147 19.097 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.770 17.400 -9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.603 19.645 -7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.219 18.019 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.725 18.723 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.079 17.099 -7.130 1.00 0.00 H new