USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 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 74 ASN : amide:sc= 0.127! C(o=-2.1!,f=-8.2!) USER MOD Set 1.2: A 98 THR OG1 : rot -140:sc= -2.26! USER MOD Set 2.1: A 27 LYS NZ :NH3+ -164:sc= -5.2! (180deg=-5.41!) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.891 K(o=-6.1,f=-13!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 44:sc= 1.08 USER MOD Single : A 26 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.1) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.873 F(o=-3.9!,f=-0.87) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.91) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 116:sc= 0.327 USER MOD Single : A 63 THR OG1 : rot -46:sc= 0.551 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= -0.0151 (180deg=-0.145) USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= -2.08! (180deg=-3.43!) USER MOD Single : A 82 THR OG1 : rot 121:sc= 0.81 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0675) USER MOD Single : A 89 MET CE :methyl -124:sc= -1 (180deg=-1.05) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.264 F(o=-1.9!,f=-0.26) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0306 (180deg=-0.219) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.613 F(o=-1.3,f=-0.61) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.88! C(o=-2.9!,f=-11!) USER MOD Single : A 109 LYS NZ :NH3+ -117:sc= -0.447 (180deg=-2.33!) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc= -0.0233 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 2.732 5.456 8.627 1.00 0.00 N ATOM 113 CA LYS A 22 1.436 4.792 8.605 1.00 0.00 C ATOM 114 C LYS A 22 0.375 5.758 8.111 1.00 0.00 C ATOM 115 O LYS A 22 0.043 6.720 8.803 1.00 0.00 O ATOM 116 CB LYS A 22 1.029 4.285 9.997 1.00 0.00 C ATOM 117 CG LYS A 22 2.036 3.355 10.658 1.00 0.00 C ATOM 118 CD LYS A 22 2.999 4.105 11.566 1.00 0.00 C ATOM 119 CE LYS A 22 2.288 4.683 12.782 1.00 0.00 C ATOM 120 NZ LYS A 22 3.244 5.265 13.761 1.00 0.00 N ATOM 0 HA LYS A 22 1.519 3.936 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.867 5.144 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.075 3.764 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.505 2.600 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.600 2.827 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.791 3.431 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.476 4.910 11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.586 5.452 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.704 3.901 13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.719 5.647 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.899 4.526 14.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.784 6.029 13.307 1.00 0.00 H new ATOM 134 N VAL A 23 -0.150 5.519 6.920 1.00 0.00 N ATOM 135 CA VAL A 23 -1.204 6.376 6.397 1.00 0.00 C ATOM 136 C VAL A 23 -2.393 5.530 5.971 1.00 0.00 C ATOM 137 O VAL A 23 -2.238 4.354 5.638 1.00 0.00 O ATOM 138 CB VAL A 23 -0.727 7.270 5.216 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.489 8.086 5.615 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.414 6.455 3.974 1.00 0.00 C ATOM 0 H VAL A 23 0.129 4.754 6.306 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.498 7.051 7.201 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.550 7.944 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.805 8.703 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.236 8.726 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.300 7.415 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.085 7.120 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.376 5.739 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.308 5.920 3.655 1.00 0.00 H new ATOM 150 N THR A 24 -3.580 6.108 6.015 1.00 0.00 N ATOM 151 CA THR A 24 -4.768 5.396 5.600 1.00 0.00 C ATOM 152 C THR A 24 -5.474 6.144 4.478 1.00 0.00 C ATOM 153 O THR A 24 -5.750 7.345 4.577 1.00 0.00 O ATOM 154 CB THR A 24 -5.738 5.141 6.778 1.00 0.00 C ATOM 155 OG1 THR A 24 -6.874 4.385 6.330 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.210 6.443 7.410 1.00 0.00 C ATOM 0 H THR A 24 -3.743 7.063 6.333 1.00 0.00 H new ATOM 0 HA THR A 24 -4.448 4.422 5.230 1.00 0.00 H new ATOM 0 HB THR A 24 -5.194 4.574 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.573 3.659 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.889 6.222 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.350 6.997 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.729 7.043 6.662 1.00 0.00 H new ATOM 164 N LEU A 25 -5.728 5.433 3.396 1.00 0.00 N ATOM 165 CA LEU A 25 -6.409 5.993 2.246 1.00 0.00 C ATOM 166 C LEU A 25 -7.654 5.175 1.960 1.00 0.00 C ATOM 167 O LEU A 25 -8.019 4.290 2.739 1.00 0.00 O ATOM 168 CB LEU A 25 -5.514 5.986 0.995 1.00 0.00 C ATOM 169 CG LEU A 25 -4.215 6.795 1.068 1.00 0.00 C ATOM 170 CD1 LEU A 25 -4.463 8.168 1.661 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.150 6.044 1.848 1.00 0.00 C ATOM 0 H LEU A 25 -5.468 4.452 3.290 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.666 7.027 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.257 4.951 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.100 6.361 0.156 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.847 6.934 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.525 8.722 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.177 8.709 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.866 8.062 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.238 6.640 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.504 5.859 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.942 5.093 1.357 1.00 0.00 H new ATOM 183 N GLN A 26 -8.279 5.452 0.836 1.00 0.00 N ATOM 184 CA GLN A 26 -9.453 4.729 0.420 1.00 0.00 C ATOM 185 C GLN A 26 -9.307 4.312 -1.019 1.00 0.00 C ATOM 186 O GLN A 26 -8.816 5.073 -1.845 1.00 0.00 O ATOM 187 CB GLN A 26 -10.706 5.569 0.631 1.00 0.00 C ATOM 188 CG GLN A 26 -11.050 5.713 2.098 1.00 0.00 C ATOM 189 CD GLN A 26 -12.058 6.804 2.375 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.150 7.787 1.639 1.00 0.00 O ATOM 191 NE2 GLN A 26 -12.803 6.647 3.453 1.00 0.00 N ATOM 0 H GLN A 26 -7.986 6.184 0.189 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.556 3.832 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.558 6.557 0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.543 5.110 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.442 4.765 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.138 5.920 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.692 5.816 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.490 7.357 3.706 1.00 0.00 H new ATOM 200 N LYS A 27 -9.708 3.080 -1.277 1.00 0.00 N ATOM 201 CA LYS A 27 -9.574 2.450 -2.591 1.00 0.00 C ATOM 202 C LYS A 27 -9.974 3.376 -3.728 1.00 0.00 C ATOM 203 O LYS A 27 -10.880 4.199 -3.602 1.00 0.00 O ATOM 204 CB LYS A 27 -10.453 1.211 -2.676 1.00 0.00 C ATOM 205 CG LYS A 27 -10.264 0.229 -1.544 1.00 0.00 C ATOM 206 CD LYS A 27 -8.863 -0.326 -1.523 1.00 0.00 C ATOM 207 CE LYS A 27 -8.842 -1.698 -0.899 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.611 -2.674 -1.708 1.00 0.00 N ATOM 0 H LYS A 27 -10.141 2.477 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.520 2.195 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.497 1.523 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.252 0.702 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.476 0.721 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.979 -0.588 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.472 -0.377 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.210 0.343 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.811 -2.038 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.260 -1.648 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.808 -3.520 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.508 -2.244 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.057 -2.944 -2.546 1.00 0.00 H new ATOM 222 N ASP A 28 -9.311 3.191 -4.850 1.00 0.00 N ATOM 223 CA ASP A 28 -9.592 3.959 -6.049 1.00 0.00 C ATOM 224 C ASP A 28 -10.730 3.274 -6.801 1.00 0.00 C ATOM 225 O ASP A 28 -11.307 2.313 -6.289 1.00 0.00 O ATOM 226 CB ASP A 28 -8.325 4.053 -6.917 1.00 0.00 C ATOM 227 CG ASP A 28 -8.429 5.066 -8.045 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.112 6.251 -7.824 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.826 4.679 -9.163 1.00 0.00 O ATOM 0 H ASP A 28 -8.563 2.506 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.893 4.975 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.479 4.316 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.112 3.072 -7.341 1.00 0.00 H new ATOM 234 N ALA A 29 -11.040 3.722 -8.004 1.00 0.00 N ATOM 235 CA ALA A 29 -12.111 3.120 -8.786 1.00 0.00 C ATOM 236 C ALA A 29 -11.800 1.659 -9.097 1.00 0.00 C ATOM 237 O ALA A 29 -12.699 0.853 -9.345 1.00 0.00 O ATOM 238 CB ALA A 29 -12.322 3.906 -10.072 1.00 0.00 C ATOM 0 H ALA A 29 -10.567 4.500 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.029 3.152 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.125 3.449 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.590 4.935 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.403 3.899 -10.658 1.00 0.00 H new ATOM 244 N GLN A 30 -10.518 1.321 -9.041 1.00 0.00 N ATOM 245 CA GLN A 30 -10.055 -0.015 -9.372 1.00 0.00 C ATOM 246 C GLN A 30 -9.892 -0.873 -8.114 1.00 0.00 C ATOM 247 O GLN A 30 -9.301 -1.953 -8.158 1.00 0.00 O ATOM 248 CB GLN A 30 -8.743 0.091 -10.111 1.00 0.00 C ATOM 249 CG GLN A 30 -8.379 -1.131 -10.936 1.00 0.00 C ATOM 250 CD GLN A 30 -7.112 -0.926 -11.745 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.221 -0.082 -11.255 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.943 -1.514 -12.813 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.775 1.964 -8.766 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.797 -0.501 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.782 0.959 -10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.948 0.274 -9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.250 -1.987 -10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.202 -1.370 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.654 -2.158 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.092 -1.357 -13.352 1.00 0.00 H new ATOM 261 N ASN A 31 -10.402 -0.366 -6.989 1.00 0.00 N ATOM 262 CA ASN A 31 -10.416 -1.109 -5.714 1.00 0.00 C ATOM 263 C ASN A 31 -9.008 -1.251 -5.132 1.00 0.00 C ATOM 264 O ASN A 31 -8.766 -2.049 -4.224 1.00 0.00 O ATOM 265 CB ASN A 31 -11.046 -2.494 -5.919 1.00 0.00 C ATOM 266 CG ASN A 31 -11.194 -3.309 -4.638 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.483 -2.771 -3.570 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.968 -4.616 -4.736 1.00 0.00 N ATOM 0 H ASN A 31 -10.816 0.564 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.015 -0.542 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.029 -2.370 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.437 -3.057 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.032 -5.208 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.731 -5.026 -5.639 1.00 0.00 H new ATOM 275 N LEU A 32 -8.079 -0.468 -5.637 1.00 0.00 N ATOM 276 CA LEU A 32 -6.708 -0.540 -5.161 1.00 0.00 C ATOM 277 C LEU A 32 -6.177 0.831 -4.776 1.00 0.00 C ATOM 278 O LEU A 32 -6.928 1.807 -4.760 1.00 0.00 O ATOM 279 CB LEU A 32 -5.807 -1.206 -6.208 1.00 0.00 C ATOM 280 CG LEU A 32 -5.955 -0.733 -7.660 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.504 0.709 -7.835 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.166 -1.645 -8.582 1.00 0.00 C ATOM 0 H LEU A 32 -8.242 0.221 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.700 -1.155 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.770 -1.055 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.994 -2.280 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.013 -0.778 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.625 1.004 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.108 1.359 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.455 0.799 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.275 -1.304 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.113 -1.623 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.543 -2.664 -8.495 1.00 0.00 H new ATOM 294 N ILE A 33 -4.891 0.901 -4.463 1.00 0.00 N ATOM 295 CA ILE A 33 -4.293 2.132 -4.006 1.00 0.00 C ATOM 296 C ILE A 33 -3.444 2.773 -5.089 1.00 0.00 C ATOM 297 O ILE A 33 -3.226 3.982 -5.076 1.00 0.00 O ATOM 298 CB ILE A 33 -3.428 1.910 -2.752 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.432 0.433 -2.338 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.935 2.789 -1.625 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.471 0.110 -1.212 1.00 0.00 C ATOM 0 H ILE A 33 -4.246 0.113 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.116 2.802 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.398 2.184 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.441 0.154 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.180 -0.178 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.323 2.632 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.877 3.835 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.971 2.533 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.531 -0.952 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.455 0.356 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.735 0.693 -0.330 1.00 0.00 H new ATOM 313 N GLY A 34 -2.966 1.961 -6.024 1.00 0.00 N ATOM 314 CA GLY A 34 -2.169 2.482 -7.119 1.00 0.00 C ATOM 315 C GLY A 34 -0.681 2.366 -6.859 1.00 0.00 C ATOM 316 O GLY A 34 0.080 3.286 -7.159 1.00 0.00 O ATOM 0 H GLY A 34 -3.116 0.952 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.418 1.944 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.425 3.528 -7.285 1.00 0.00 H new ATOM 320 N ILE A 35 -0.266 1.239 -6.300 1.00 0.00 N ATOM 321 CA ILE A 35 1.137 1.018 -5.960 1.00 0.00 C ATOM 322 C ILE A 35 1.646 -0.306 -6.506 1.00 0.00 C ATOM 323 O ILE A 35 0.897 -1.088 -7.098 1.00 0.00 O ATOM 324 CB ILE A 35 1.353 1.041 -4.430 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.396 0.077 -3.717 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.196 2.446 -3.888 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.929 -1.327 -3.586 1.00 0.00 C ATOM 0 H ILE A 35 -0.882 0.459 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 35 1.698 1.832 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 35 2.372 0.707 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.178 0.467 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.547 0.048 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.352 2.439 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.930 3.101 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.192 2.810 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.196 -1.948 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.121 -1.737 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.857 -1.312 -3.014 1.00 0.00 H new ATOM 339 N SER A 36 2.930 -0.538 -6.295 1.00 0.00 N ATOM 340 CA SER A 36 3.561 -1.797 -6.633 1.00 0.00 C ATOM 341 C SER A 36 4.559 -2.192 -5.562 1.00 0.00 C ATOM 342 O SER A 36 5.424 -1.404 -5.180 1.00 0.00 O ATOM 343 CB SER A 36 4.228 -1.718 -8.002 1.00 0.00 C ATOM 344 OG SER A 36 3.237 -1.722 -9.009 1.00 0.00 O ATOM 0 H SER A 36 3.565 0.146 -5.883 1.00 0.00 H new ATOM 0 HA SER A 36 2.791 -2.567 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.831 -0.812 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.904 -2.562 -8.138 1.00 0.00 H new ATOM 0 HG SER A 36 3.665 -1.670 -9.889 1.00 0.00 H new ATOM 350 N ILE A 37 4.417 -3.413 -5.080 1.00 0.00 N ATOM 351 CA ILE A 37 5.222 -3.905 -3.967 1.00 0.00 C ATOM 352 C ILE A 37 6.141 -5.045 -4.404 1.00 0.00 C ATOM 353 O ILE A 37 5.784 -5.869 -5.248 1.00 0.00 O ATOM 354 CB ILE A 37 4.337 -4.387 -2.788 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.410 -3.273 -2.306 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.187 -4.898 -1.631 1.00 0.00 C ATOM 357 CD1 ILE A 37 4.134 -2.049 -1.788 1.00 0.00 C ATOM 0 H ILE A 37 3.747 -4.091 -5.443 1.00 0.00 H new ATOM 0 HA ILE A 37 5.830 -3.065 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 37 3.727 -5.212 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.758 -2.976 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.769 -3.664 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.537 -5.228 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.798 -5.734 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.834 -4.097 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.406 -1.305 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.765 -2.329 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.754 -1.630 -2.581 1.00 0.00 H new ATOM 369 N GLY A 38 7.329 -5.055 -3.833 1.00 0.00 N ATOM 370 CA GLY A 38 8.282 -6.108 -4.051 1.00 0.00 C ATOM 371 C GLY A 38 9.561 -5.853 -3.283 1.00 0.00 C ATOM 372 O GLY A 38 10.167 -4.789 -3.412 1.00 0.00 O ATOM 0 H GLY A 38 7.656 -4.324 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.853 -7.061 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.503 -6.188 -5.115 1.00 0.00 H new ATOM 514 N ILE A 49 7.994 -0.867 -1.807 1.00 0.00 N ATOM 515 CA ILE A 49 7.213 -0.075 -2.740 1.00 0.00 C ATOM 516 C ILE A 49 8.105 0.408 -3.892 1.00 0.00 C ATOM 517 O ILE A 49 9.019 1.220 -3.726 1.00 0.00 O ATOM 518 CB ILE A 49 6.417 1.064 -2.039 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.156 1.399 -2.846 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.257 2.311 -1.834 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.377 2.421 -3.942 1.00 0.00 C ATOM 0 HA ILE A 49 6.442 -0.711 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 49 6.132 0.702 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.768 0.483 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.390 1.772 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.657 3.077 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.120 2.070 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.598 2.683 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.438 2.602 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.734 3.353 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.118 2.044 -4.647 1.00 0.00 H new ATOM 533 N VAL A 50 7.857 -0.166 -5.061 1.00 0.00 N ATOM 534 CA VAL A 50 8.719 0.024 -6.219 1.00 0.00 C ATOM 535 C VAL A 50 8.149 1.063 -7.180 1.00 0.00 C ATOM 536 O VAL A 50 8.891 1.711 -7.918 1.00 0.00 O ATOM 537 CB VAL A 50 8.925 -1.313 -6.973 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.905 -1.154 -8.128 1.00 0.00 C ATOM 539 CG2 VAL A 50 9.399 -2.400 -6.019 1.00 0.00 C ATOM 0 H VAL A 50 7.056 -0.774 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 50 9.679 0.385 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 50 7.962 -1.610 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.027 -2.111 -8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.521 -0.416 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.869 -0.822 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.538 -3.331 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.345 -2.101 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.654 -2.548 -5.237 1.00 0.00 H new ATOM 549 N GLN A 51 6.836 1.246 -7.158 1.00 0.00 N ATOM 550 CA GLN A 51 6.193 2.135 -8.104 1.00 0.00 C ATOM 551 C GLN A 51 4.871 2.641 -7.556 1.00 0.00 C ATOM 552 O GLN A 51 4.164 1.924 -6.849 1.00 0.00 O ATOM 553 CB GLN A 51 5.983 1.426 -9.452 1.00 0.00 C ATOM 554 CG GLN A 51 4.581 1.577 -10.015 1.00 0.00 C ATOM 555 CD GLN A 51 4.454 1.049 -11.424 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.398 1.113 -12.213 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.290 0.524 -11.750 1.00 0.00 N ATOM 0 H GLN A 51 6.203 0.793 -6.499 1.00 0.00 H new ATOM 0 HA GLN A 51 6.846 2.993 -8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.698 1.820 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.203 0.365 -9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.877 1.051 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.300 2.630 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.535 0.492 -11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.144 0.150 -12.688 1.00 0.00 H new ATOM 566 N VAL A 52 4.565 3.885 -7.870 1.00 0.00 N ATOM 567 CA VAL A 52 3.279 4.467 -7.547 1.00 0.00 C ATOM 568 C VAL A 52 2.831 5.334 -8.714 1.00 0.00 C ATOM 569 O VAL A 52 3.646 5.703 -9.562 1.00 0.00 O ATOM 570 CB VAL A 52 3.333 5.315 -6.260 1.00 0.00 C ATOM 571 CG1 VAL A 52 4.015 6.652 -6.506 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.942 5.509 -5.687 1.00 0.00 C ATOM 0 H VAL A 52 5.200 4.519 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 52 2.570 3.658 -7.372 1.00 0.00 H new ATOM 0 HB VAL A 52 3.930 4.773 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.037 7.225 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.035 6.482 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.463 7.208 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.003 6.110 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.315 6.019 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.507 4.538 -5.451 1.00 0.00 H new ATOM 582 N PHE A 53 1.551 5.633 -8.780 1.00 0.00 N ATOM 583 CA PHE A 53 1.040 6.498 -9.831 1.00 0.00 C ATOM 584 C PHE A 53 0.975 7.949 -9.341 1.00 0.00 C ATOM 585 O PHE A 53 1.916 8.418 -8.700 1.00 0.00 O ATOM 586 CB PHE A 53 -0.316 5.994 -10.320 1.00 0.00 C ATOM 587 CG PHE A 53 -0.248 4.607 -10.899 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.341 4.387 -12.134 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.755 3.523 -10.203 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.418 3.113 -12.664 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.681 2.247 -10.727 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.093 2.041 -11.959 1.00 0.00 C ATOM 0 H PHE A 53 0.846 5.294 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 53 1.722 6.473 -10.681 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.022 6.002 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.703 6.679 -11.074 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.745 5.221 -12.689 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.214 3.677 -9.238 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.877 2.956 -13.629 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.083 1.411 -10.173 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.033 1.044 -12.370 1.00 0.00 H new ATOM 602 N ASP A 54 -0.101 8.672 -9.640 1.00 0.00 N ATOM 603 CA ASP A 54 -0.203 10.065 -9.199 1.00 0.00 C ATOM 604 C ASP A 54 -1.588 10.424 -8.661 1.00 0.00 C ATOM 605 O ASP A 54 -1.712 11.172 -7.692 1.00 0.00 O ATOM 606 CB ASP A 54 0.141 10.987 -10.361 1.00 0.00 C ATOM 607 CG ASP A 54 0.240 12.437 -9.935 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.254 12.808 -9.308 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.692 13.214 -10.220 1.00 0.00 O ATOM 0 H ASP A 54 -0.900 8.329 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 54 0.501 10.193 -8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.088 10.675 -10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.619 10.890 -11.136 1.00 0.00 H new ATOM 614 N ASN A 55 -2.614 9.862 -9.269 1.00 0.00 N ATOM 615 CA ASN A 55 -3.990 10.245 -9.001 1.00 0.00 C ATOM 616 C ASN A 55 -4.621 9.238 -8.072 1.00 0.00 C ATOM 617 O ASN A 55 -5.783 9.359 -7.689 1.00 0.00 O ATOM 618 CB ASN A 55 -4.795 10.315 -10.301 1.00 0.00 C ATOM 619 CG ASN A 55 -4.315 11.412 -11.224 1.00 0.00 C ATOM 620 OD1 ASN A 55 -4.820 12.534 -11.194 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.337 11.098 -12.054 1.00 0.00 N ATOM 0 H ASN A 55 -2.518 9.124 -9.966 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.993 11.231 -8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.729 9.357 -10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.846 10.478 -10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.973 11.797 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.945 10.156 -12.048 1.00 0.00 H new ATOM 628 N THR A 56 -3.834 8.244 -7.707 1.00 0.00 N ATOM 629 CA THR A 56 -4.317 7.156 -6.904 1.00 0.00 C ATOM 630 C THR A 56 -4.166 7.535 -5.458 1.00 0.00 C ATOM 631 O THR A 56 -3.201 8.210 -5.127 1.00 0.00 O ATOM 632 CB THR A 56 -3.520 5.871 -7.183 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.164 6.021 -6.738 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.515 5.560 -8.659 1.00 0.00 C ATOM 0 H THR A 56 -2.849 8.175 -7.961 1.00 0.00 H new ATOM 0 HA THR A 56 -5.362 6.965 -7.147 1.00 0.00 H new ATOM 0 HB THR A 56 -3.998 5.055 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.985 5.385 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.946 4.647 -8.837 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.539 5.422 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.056 6.385 -9.203 1.00 0.00 H new ATOM 642 N PRO A 57 -5.085 7.130 -4.582 1.00 0.00 N ATOM 643 CA PRO A 57 -5.075 7.560 -3.184 1.00 0.00 C ATOM 644 C PRO A 57 -3.684 7.438 -2.566 1.00 0.00 C ATOM 645 O PRO A 57 -3.230 8.320 -1.831 1.00 0.00 O ATOM 646 CB PRO A 57 -6.045 6.587 -2.502 1.00 0.00 C ATOM 647 CG PRO A 57 -6.361 5.539 -3.524 1.00 0.00 C ATOM 648 CD PRO A 57 -6.176 6.192 -4.856 1.00 0.00 C ATOM 0 HA PRO A 57 -5.357 8.607 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.594 6.144 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.950 7.101 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.701 4.678 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.382 5.175 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.911 5.472 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.079 6.702 -5.190 1.00 0.00 H new ATOM 656 N ALA A 58 -3.011 6.344 -2.911 1.00 0.00 N ATOM 657 CA ALA A 58 -1.653 6.071 -2.453 1.00 0.00 C ATOM 658 C ALA A 58 -0.674 7.164 -2.867 1.00 0.00 C ATOM 659 O ALA A 58 0.056 7.687 -2.029 1.00 0.00 O ATOM 660 CB ALA A 58 -1.180 4.740 -2.991 1.00 0.00 C ATOM 0 H ALA A 58 -3.394 5.619 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.681 6.044 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.165 4.547 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.842 3.949 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.191 4.763 -4.081 1.00 0.00 H new ATOM 666 N ALA A 59 -0.643 7.502 -4.155 1.00 0.00 N ATOM 667 CA ALA A 59 0.255 8.551 -4.621 1.00 0.00 C ATOM 668 C ALA A 59 -0.263 9.898 -4.168 1.00 0.00 C ATOM 669 O ALA A 59 0.428 10.671 -3.505 1.00 0.00 O ATOM 670 CB ALA A 59 0.341 8.531 -6.132 1.00 0.00 C ATOM 0 H ALA A 59 -1.218 7.073 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 59 1.247 8.378 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.015 9.319 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.720 7.564 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.650 8.696 -6.555 1.00 0.00 H new ATOM 676 N LEU A 60 -1.501 10.133 -4.551 1.00 0.00 N ATOM 677 CA LEU A 60 -2.237 11.353 -4.276 1.00 0.00 C ATOM 678 C LEU A 60 -2.064 11.848 -2.833 1.00 0.00 C ATOM 679 O LEU A 60 -1.329 12.804 -2.578 1.00 0.00 O ATOM 680 CB LEU A 60 -3.706 11.012 -4.540 1.00 0.00 C ATOM 681 CG LEU A 60 -4.652 12.152 -4.900 1.00 0.00 C ATOM 682 CD1 LEU A 60 -4.833 13.118 -3.740 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.153 12.869 -6.139 1.00 0.00 C ATOM 0 H LEU A 60 -2.045 9.454 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.867 12.161 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.739 10.282 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.100 10.520 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.632 11.726 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.514 13.917 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.247 12.585 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.868 13.546 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.835 13.682 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.159 13.275 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.105 12.167 -6.971 1.00 0.00 H new ATOM 695 N ASP A 61 -2.741 11.194 -1.898 1.00 0.00 N ATOM 696 CA ASP A 61 -2.722 11.620 -0.501 1.00 0.00 C ATOM 697 C ASP A 61 -1.707 10.834 0.318 1.00 0.00 C ATOM 698 O ASP A 61 -1.005 11.387 1.165 1.00 0.00 O ATOM 699 CB ASP A 61 -4.115 11.486 0.118 1.00 0.00 C ATOM 700 CG ASP A 61 -4.180 12.038 1.533 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.047 13.267 1.702 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.363 11.246 2.484 1.00 0.00 O ATOM 0 H ASP A 61 -3.310 10.367 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.422 12.668 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.838 12.010 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.405 10.435 0.128 1.00 0.00 H new ATOM 707 N GLY A 62 -1.628 9.541 0.038 1.00 0.00 N ATOM 708 CA GLY A 62 -0.918 8.617 0.915 1.00 0.00 C ATOM 709 C GLY A 62 0.584 8.810 0.938 1.00 0.00 C ATOM 710 O GLY A 62 1.255 8.353 1.865 1.00 0.00 O ATOM 0 H GLY A 62 -2.045 9.108 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.303 8.729 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.137 7.596 0.602 1.00 0.00 H new ATOM 714 N THR A 63 1.096 9.459 -0.101 1.00 0.00 N ATOM 715 CA THR A 63 2.526 9.723 -0.284 1.00 0.00 C ATOM 716 C THR A 63 3.372 8.468 -0.037 1.00 0.00 C ATOM 717 O THR A 63 4.506 8.535 0.434 1.00 0.00 O ATOM 718 CB THR A 63 3.039 10.930 0.555 1.00 0.00 C ATOM 719 OG1 THR A 63 4.382 11.254 0.174 1.00 0.00 O ATOM 720 CG2 THR A 63 3.003 10.661 2.050 1.00 0.00 C ATOM 0 H THR A 63 0.520 9.826 -0.858 1.00 0.00 H new ATOM 0 HA THR A 63 2.646 10.006 -1.330 1.00 0.00 H new ATOM 0 HB THR A 63 2.368 11.764 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.915 10.433 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.371 11.536 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.978 10.452 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.633 9.802 2.280 1.00 0.00 H new ATOM 728 N VAL A 64 2.809 7.317 -0.384 1.00 0.00 N ATOM 729 CA VAL A 64 3.521 6.049 -0.306 1.00 0.00 C ATOM 730 C VAL A 64 4.132 5.730 -1.637 1.00 0.00 C ATOM 731 O VAL A 64 3.905 4.684 -2.242 1.00 0.00 O ATOM 732 CB VAL A 64 2.652 4.904 0.210 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.432 5.142 1.673 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.328 4.811 -0.529 1.00 0.00 C ATOM 0 H VAL A 64 1.851 7.237 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 64 4.316 6.161 0.432 1.00 0.00 H new ATOM 0 HB VAL A 64 3.156 3.953 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.813 4.344 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.393 5.157 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.930 6.099 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.745 3.982 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.774 5.741 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.514 4.643 -1.590 1.00 0.00 H new ATOM 744 N ALA A 65 4.902 6.686 -2.072 1.00 0.00 N ATOM 745 CA ALA A 65 5.432 6.712 -3.416 1.00 0.00 C ATOM 746 C ALA A 65 6.693 5.874 -3.521 1.00 0.00 C ATOM 747 O ALA A 65 7.284 5.493 -2.510 1.00 0.00 O ATOM 748 CB ALA A 65 5.712 8.148 -3.827 1.00 0.00 C ATOM 0 H ALA A 65 5.186 7.482 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 65 4.691 6.284 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.112 8.165 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.787 8.723 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.439 8.587 -3.143 1.00 0.00 H new ATOM 754 N ALA A 66 7.085 5.585 -4.757 1.00 0.00 N ATOM 755 CA ALA A 66 8.222 4.722 -5.035 1.00 0.00 C ATOM 756 C ALA A 66 9.482 5.245 -4.368 1.00 0.00 C ATOM 757 O ALA A 66 10.076 6.226 -4.818 1.00 0.00 O ATOM 758 CB ALA A 66 8.422 4.607 -6.535 1.00 0.00 C ATOM 0 H ALA A 66 6.622 5.943 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 66 8.016 3.733 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.275 3.960 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.527 4.183 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.608 5.596 -6.954 1.00 0.00 H new ATOM 764 N GLY A 67 9.878 4.591 -3.289 1.00 0.00 N ATOM 765 CA GLY A 67 11.023 5.039 -2.536 1.00 0.00 C ATOM 766 C GLY A 67 10.848 4.843 -1.045 1.00 0.00 C ATOM 767 O GLY A 67 11.794 5.034 -0.283 1.00 0.00 O ATOM 0 H GLY A 67 9.423 3.755 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.908 4.497 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.199 6.095 -2.742 1.00 0.00 H new ATOM 771 N ASP A 68 9.640 4.475 -0.626 1.00 0.00 N ATOM 772 CA ASP A 68 9.381 4.178 0.776 1.00 0.00 C ATOM 773 C ASP A 68 9.421 2.678 0.982 1.00 0.00 C ATOM 774 O ASP A 68 9.584 1.921 0.022 1.00 0.00 O ATOM 775 CB ASP A 68 8.015 4.714 1.221 1.00 0.00 C ATOM 776 CG ASP A 68 8.017 6.195 1.545 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.917 6.655 2.282 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.085 6.901 1.101 1.00 0.00 O ATOM 0 H ASP A 68 8.829 4.376 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 68 10.149 4.667 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.286 4.525 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.686 4.159 2.100 1.00 0.00 H new ATOM 783 N GLU A 69 9.264 2.238 2.218 1.00 0.00 N ATOM 784 CA GLU A 69 9.237 0.816 2.489 1.00 0.00 C ATOM 785 C GLU A 69 7.917 0.435 3.147 1.00 0.00 C ATOM 786 O GLU A 69 7.359 1.202 3.936 1.00 0.00 O ATOM 787 CB GLU A 69 10.426 0.392 3.357 1.00 0.00 C ATOM 788 CG GLU A 69 11.781 0.757 2.769 1.00 0.00 C ATOM 789 CD GLU A 69 12.936 0.193 3.569 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.196 0.690 4.689 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.600 -0.753 3.082 1.00 0.00 O ATOM 0 H GLU A 69 9.155 2.836 3.037 1.00 0.00 H new ATOM 0 HA GLU A 69 9.321 0.284 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.330 0.856 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.386 -0.687 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.839 0.388 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.872 1.842 2.723 1.00 0.00 H new ATOM 798 N ILE A 70 7.408 -0.737 2.791 1.00 0.00 N ATOM 799 CA ILE A 70 6.136 -1.226 3.328 1.00 0.00 C ATOM 800 C ILE A 70 6.348 -2.538 4.087 1.00 0.00 C ATOM 801 O ILE A 70 6.778 -3.527 3.503 1.00 0.00 O ATOM 802 CB ILE A 70 5.106 -1.478 2.202 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.048 -0.300 1.222 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.728 -1.753 2.790 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.525 0.983 1.822 1.00 0.00 C ATOM 0 H ILE A 70 7.855 -1.372 2.130 1.00 0.00 H new ATOM 0 HA ILE A 70 5.754 -0.457 3.999 1.00 0.00 H new ATOM 0 HB ILE A 70 5.430 -2.357 1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.048 -0.121 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.417 -0.576 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.016 -1.928 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.775 -2.634 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.405 -0.894 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.517 1.764 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.511 0.826 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.168 1.287 2.648 1.00 0.00 H new ATOM 817 N THR A 71 6.032 -2.563 5.376 1.00 0.00 N ATOM 818 CA THR A 71 6.254 -3.763 6.171 1.00 0.00 C ATOM 819 C THR A 71 4.949 -4.491 6.460 1.00 0.00 C ATOM 820 O THR A 71 4.955 -5.706 6.647 1.00 0.00 O ATOM 821 CB THR A 71 7.009 -3.485 7.502 1.00 0.00 C ATOM 822 OG1 THR A 71 7.131 -4.688 8.270 1.00 0.00 O ATOM 823 CG2 THR A 71 6.321 -2.421 8.347 1.00 0.00 C ATOM 0 H THR A 71 5.627 -1.778 5.887 1.00 0.00 H new ATOM 0 HA THR A 71 6.893 -4.402 5.562 1.00 0.00 H new ATOM 0 HB THR A 71 7.997 -3.114 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.610 -4.497 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.887 -2.264 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.271 -1.487 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.312 -2.750 8.595 1.00 0.00 H new ATOM 831 N GLY A 72 3.828 -3.778 6.487 1.00 0.00 N ATOM 832 CA GLY A 72 2.582 -4.449 6.769 1.00 0.00 C ATOM 833 C GLY A 72 1.373 -3.800 6.155 1.00 0.00 C ATOM 834 O GLY A 72 1.361 -2.602 5.863 1.00 0.00 O ATOM 0 H GLY A 72 3.763 -2.773 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.648 -5.477 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.445 -4.495 7.849 1.00 0.00 H new ATOM 838 N VAL A 73 0.358 -4.627 5.964 1.00 0.00 N ATOM 839 CA VAL A 73 -0.925 -4.209 5.463 1.00 0.00 C ATOM 840 C VAL A 73 -1.926 -4.310 6.584 1.00 0.00 C ATOM 841 O VAL A 73 -1.834 -5.215 7.410 1.00 0.00 O ATOM 842 CB VAL A 73 -1.406 -5.110 4.305 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.331 -5.248 3.265 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.821 -6.491 4.803 1.00 0.00 C ATOM 0 H VAL A 73 0.412 -5.627 6.159 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.833 -3.188 5.092 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.279 -4.632 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.687 -5.886 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.081 -4.264 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.556 -5.694 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.154 -7.097 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.971 -6.975 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.635 -6.390 5.521 1.00 0.00 H new ATOM 854 N ASN A 74 -2.848 -3.375 6.649 1.00 0.00 N ATOM 855 CA ASN A 74 -3.964 -3.486 7.575 1.00 0.00 C ATOM 856 C ASN A 74 -3.464 -3.534 9.024 1.00 0.00 C ATOM 857 O ASN A 74 -4.172 -3.987 9.923 1.00 0.00 O ATOM 858 CB ASN A 74 -4.755 -4.758 7.242 1.00 0.00 C ATOM 859 CG ASN A 74 -6.235 -4.639 7.498 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.877 -5.600 7.925 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.797 -3.488 7.205 1.00 0.00 N ATOM 0 H ASN A 74 -2.852 -2.531 6.076 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.608 -2.612 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.596 -5.009 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.359 -5.585 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.802 -3.365 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.228 -2.718 6.854 1.00 0.00 H new ATOM 868 N GLY A 75 -2.228 -3.078 9.234 1.00 0.00 N ATOM 869 CA GLY A 75 -1.634 -3.086 10.558 1.00 0.00 C ATOM 870 C GLY A 75 -0.693 -4.264 10.793 1.00 0.00 C ATOM 871 O GLY A 75 0.094 -4.251 11.740 1.00 0.00 O ATOM 0 H GLY A 75 -1.626 -2.701 8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.085 -2.156 10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.428 -3.110 11.304 1.00 0.00 H new ATOM 875 N ARG A 76 -0.764 -5.277 9.935 1.00 0.00 N ATOM 876 CA ARG A 76 -0.021 -6.498 10.110 1.00 0.00 C ATOM 877 C ARG A 76 0.955 -6.746 8.957 1.00 0.00 C ATOM 878 O ARG A 76 0.622 -6.535 7.794 1.00 0.00 O ATOM 879 CB ARG A 76 -1.030 -7.620 10.210 1.00 0.00 C ATOM 880 CG ARG A 76 -2.272 -7.402 9.365 1.00 0.00 C ATOM 881 CD ARG A 76 -3.375 -8.371 9.740 1.00 0.00 C ATOM 882 NE ARG A 76 -4.662 -7.974 9.175 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.565 -8.833 8.716 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.285 -10.129 8.659 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.739 -8.393 8.283 1.00 0.00 N ATOM 0 H ARG A 76 -1.345 -5.263 9.097 1.00 0.00 H new ATOM 0 HA ARG A 76 0.588 -6.436 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.554 -8.553 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.327 -7.738 11.252 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.626 -6.379 9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.022 -7.523 8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.116 -9.370 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.456 -8.427 10.826 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.880 -6.979 9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.374 -10.468 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.981 -10.786 8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.948 -7.395 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.432 -9.053 7.930 1.00 0.00 H new ATOM 899 N SER A 77 2.150 -7.216 9.307 1.00 0.00 N ATOM 900 CA SER A 77 3.248 -7.426 8.358 1.00 0.00 C ATOM 901 C SER A 77 2.827 -8.226 7.119 1.00 0.00 C ATOM 902 O SER A 77 2.054 -9.183 7.209 1.00 0.00 O ATOM 903 CB SER A 77 4.387 -8.139 9.082 1.00 0.00 C ATOM 904 OG SER A 77 4.794 -7.398 10.220 1.00 0.00 O ATOM 0 H SER A 77 2.389 -7.465 10.267 1.00 0.00 H new ATOM 0 HA SER A 77 3.568 -6.449 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.065 -9.135 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.231 -8.269 8.405 1.00 0.00 H new ATOM 0 HG SER A 77 5.524 -7.870 10.674 1.00 0.00 H new ATOM 910 N ILE A 78 3.365 -7.831 5.960 1.00 0.00 N ATOM 911 CA ILE A 78 2.976 -8.436 4.690 1.00 0.00 C ATOM 912 C ILE A 78 3.761 -9.708 4.456 1.00 0.00 C ATOM 913 O ILE A 78 3.319 -10.613 3.747 1.00 0.00 O ATOM 914 CB ILE A 78 3.199 -7.513 3.465 1.00 0.00 C ATOM 915 CG1 ILE A 78 4.648 -7.567 2.944 1.00 0.00 C ATOM 916 CG2 ILE A 78 2.833 -6.083 3.805 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.655 -6.834 3.807 1.00 0.00 C ATOM 0 H ILE A 78 4.069 -7.097 5.879 1.00 0.00 H new ATOM 0 HA ILE A 78 1.907 -8.631 4.776 1.00 0.00 H new ATOM 0 HB ILE A 78 2.548 -7.881 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.952 -8.610 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.675 -7.146 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.996 -5.449 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.784 -6.036 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.456 -5.734 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.647 -6.925 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.381 -5.781 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.662 -7.268 4.807 1.00 0.00 H new ATOM 929 N LYS A 79 4.937 -9.756 5.071 1.00 0.00 N ATOM 930 CA LYS A 79 5.871 -10.853 4.901 1.00 0.00 C ATOM 931 C LYS A 79 5.265 -12.151 5.423 1.00 0.00 C ATOM 932 O LYS A 79 5.760 -13.245 5.149 1.00 0.00 O ATOM 933 CB LYS A 79 7.166 -10.512 5.637 1.00 0.00 C ATOM 934 CG LYS A 79 8.267 -11.553 5.495 1.00 0.00 C ATOM 935 CD LYS A 79 9.529 -11.147 6.241 1.00 0.00 C ATOM 936 CE LYS A 79 9.270 -10.942 7.728 1.00 0.00 C ATOM 937 NZ LYS A 79 8.728 -12.165 8.378 1.00 0.00 N ATOM 0 H LYS A 79 5.268 -9.028 5.705 1.00 0.00 H new ATOM 0 HA LYS A 79 6.089 -10.997 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.538 -9.556 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.943 -10.380 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.912 -12.511 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.499 -11.695 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.292 -11.914 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.924 -10.227 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.198 -10.652 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.568 -10.119 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.695 -12.025 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.768 -12.351 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.341 -12.976 8.159 1.00 0.00 H new ATOM 951 N GLY A 80 4.177 -12.007 6.167 1.00 0.00 N ATOM 952 CA GLY A 80 3.453 -13.150 6.660 1.00 0.00 C ATOM 953 C GLY A 80 2.865 -13.993 5.546 1.00 0.00 C ATOM 954 O GLY A 80 2.732 -15.208 5.696 1.00 0.00 O ATOM 0 H GLY A 80 3.783 -11.106 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.120 -13.766 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.651 -12.812 7.317 1.00 0.00 H new ATOM 958 N LYS A 81 2.519 -13.375 4.415 1.00 0.00 N ATOM 959 CA LYS A 81 1.941 -14.142 3.319 1.00 0.00 C ATOM 960 C LYS A 81 2.794 -14.066 2.052 1.00 0.00 C ATOM 961 O LYS A 81 3.951 -14.491 2.065 1.00 0.00 O ATOM 962 CB LYS A 81 0.475 -13.755 3.041 1.00 0.00 C ATOM 963 CG LYS A 81 0.204 -12.260 2.959 1.00 0.00 C ATOM 964 CD LYS A 81 0.068 -11.611 4.330 1.00 0.00 C ATOM 965 CE LYS A 81 -1.304 -11.844 4.960 1.00 0.00 C ATOM 966 NZ LYS A 81 -1.556 -13.270 5.308 1.00 0.00 N ATOM 0 H LYS A 81 2.626 -12.376 4.239 1.00 0.00 H new ATOM 0 HA LYS A 81 1.937 -15.183 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.166 -14.216 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.151 -14.179 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.014 -11.778 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.710 -12.091 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.839 -12.005 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.244 -10.539 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.391 -11.236 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.076 -11.503 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.294 -13.324 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.871 -13.784 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.680 -13.700 5.668 1.00 0.00 H new ATOM 980 N THR A 82 2.247 -13.505 0.978 1.00 0.00 N ATOM 981 CA THR A 82 2.872 -13.592 -0.338 1.00 0.00 C ATOM 982 C THR A 82 2.284 -12.508 -1.218 1.00 0.00 C ATOM 983 O THR A 82 1.148 -12.129 -0.999 1.00 0.00 O ATOM 984 CB THR A 82 2.605 -14.968 -1.000 1.00 0.00 C ATOM 985 OG1 THR A 82 2.705 -16.024 -0.034 1.00 0.00 O ATOM 986 CG2 THR A 82 3.588 -15.230 -2.132 1.00 0.00 C ATOM 0 H THR A 82 1.370 -12.984 0.993 1.00 0.00 H new ATOM 0 HA THR A 82 3.949 -13.469 -0.222 1.00 0.00 H new ATOM 0 HB THR A 82 1.594 -14.945 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.854 -16.507 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.378 -16.202 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.486 -14.453 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.605 -15.223 -1.740 1.00 0.00 H new ATOM 994 N LYS A 83 3.049 -12.016 -2.189 1.00 0.00 N ATOM 995 CA LYS A 83 2.610 -10.933 -3.085 1.00 0.00 C ATOM 996 C LYS A 83 1.153 -11.074 -3.503 1.00 0.00 C ATOM 997 O LYS A 83 0.341 -10.173 -3.301 1.00 0.00 O ATOM 998 CB LYS A 83 3.451 -10.906 -4.363 1.00 0.00 C ATOM 999 CG LYS A 83 4.766 -11.609 -4.261 1.00 0.00 C ATOM 1000 CD LYS A 83 5.617 -11.283 -5.470 1.00 0.00 C ATOM 1001 CE LYS A 83 6.969 -11.933 -5.376 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.912 -11.146 -4.540 1.00 0.00 N ATOM 0 H LYS A 83 3.992 -12.352 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 83 2.734 -10.012 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.875 -11.358 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.630 -9.868 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.281 -11.305 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.609 -12.686 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.111 -11.619 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.735 -10.203 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.861 -12.933 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.384 -12.051 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.831 -11.631 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.036 -10.200 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.530 -11.055 -3.577 1.00 0.00 H new ATOM 1016 N VAL A 84 0.845 -12.207 -4.102 1.00 0.00 N ATOM 1017 CA VAL A 84 -0.489 -12.500 -4.591 1.00 0.00 C ATOM 1018 C VAL A 84 -1.558 -12.384 -3.489 1.00 0.00 C ATOM 1019 O VAL A 84 -2.692 -11.971 -3.741 1.00 0.00 O ATOM 1020 CB VAL A 84 -0.516 -13.910 -5.202 1.00 0.00 C ATOM 1021 CG1 VAL A 84 -0.042 -14.949 -4.200 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.899 -14.235 -5.680 1.00 0.00 C ATOM 0 H VAL A 84 1.518 -12.956 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.730 -11.757 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 84 0.167 -13.929 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.071 -15.937 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.979 -14.721 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.693 -14.935 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.909 -15.236 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.593 -14.195 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.202 -13.511 -6.436 1.00 0.00 H new ATOM 1032 N GLU A 85 -1.170 -12.702 -2.269 1.00 0.00 N ATOM 1033 CA GLU A 85 -2.087 -12.735 -1.142 1.00 0.00 C ATOM 1034 C GLU A 85 -2.094 -11.375 -0.498 1.00 0.00 C ATOM 1035 O GLU A 85 -3.047 -10.941 0.133 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.597 -13.767 -0.136 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.331 -15.124 -0.754 1.00 0.00 C ATOM 1038 CD GLU A 85 -1.028 -16.188 0.275 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.942 -16.564 1.040 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.126 -16.660 0.326 1.00 0.00 O ATOM 0 H GLU A 85 -0.209 -12.945 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.091 -12.998 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.683 -13.403 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.339 -13.874 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.199 -15.428 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.492 -15.045 -1.446 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.983 -10.737 -0.707 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.644 -9.463 -0.148 1.00 0.00 C ATOM 1049 C VAL A 86 -1.408 -8.335 -0.859 1.00 0.00 C ATOM 1050 O VAL A 86 -1.939 -7.432 -0.211 1.00 0.00 O ATOM 1051 CB VAL A 86 0.890 -9.340 -0.274 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.337 -8.117 -1.000 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.567 -9.460 1.065 1.00 0.00 C ATOM 0 H VAL A 86 -0.247 -11.112 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.935 -9.378 0.899 1.00 0.00 H new ATOM 0 HB VAL A 86 1.201 -10.183 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.426 -8.100 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.929 -8.124 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.984 -7.231 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.646 -9.369 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.212 -8.668 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.335 -10.430 1.504 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.484 -8.414 -2.188 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.338 -7.519 -2.964 1.00 0.00 C ATOM 1065 C ALA A 87 -3.796 -7.858 -2.694 1.00 0.00 C ATOM 1066 O ALA A 87 -4.661 -6.980 -2.675 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.029 -7.642 -4.448 1.00 0.00 C ATOM 0 H ALA A 87 -0.964 -9.089 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.146 -6.489 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.675 -6.968 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.986 -7.378 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.204 -8.668 -4.772 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.056 -9.145 -2.471 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.391 -9.602 -2.125 1.00 0.00 C ATOM 1075 C LYS A 88 -5.844 -8.959 -0.825 1.00 0.00 C ATOM 1076 O LYS A 88 -6.906 -8.366 -0.774 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.439 -11.116 -1.993 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.829 -11.634 -1.692 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.925 -13.127 -1.908 1.00 0.00 C ATOM 1080 CE LYS A 88 -6.185 -13.886 -0.831 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.915 -13.868 0.464 1.00 0.00 N ATOM 0 H LYS A 88 -3.357 -9.886 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.064 -9.307 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.080 -11.568 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.760 -11.429 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.091 -11.397 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.553 -11.126 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.972 -13.429 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.513 -13.383 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.038 -14.918 -1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.195 -13.450 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.477 -14.546 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.871 -12.913 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.909 -14.132 0.306 1.00 0.00 H new ATOM 1095 N MET A 89 -5.019 -9.077 0.211 1.00 0.00 N ATOM 1096 CA MET A 89 -5.290 -8.472 1.513 1.00 0.00 C ATOM 1097 C MET A 89 -5.764 -7.034 1.385 1.00 0.00 C ATOM 1098 O MET A 89 -6.789 -6.650 1.947 1.00 0.00 O ATOM 1099 CB MET A 89 -4.043 -8.527 2.356 1.00 0.00 C ATOM 1100 CG MET A 89 -3.766 -9.921 2.850 1.00 0.00 C ATOM 1101 SD MET A 89 -5.028 -10.527 3.984 1.00 0.00 S ATOM 1102 CE MET A 89 -4.850 -9.367 5.337 1.00 0.00 C ATOM 0 H MET A 89 -4.142 -9.596 0.172 1.00 0.00 H new ATOM 0 HA MET A 89 -6.091 -9.038 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.193 -8.172 1.773 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.149 -7.854 3.207 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.697 -10.596 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.797 -9.938 3.350 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.661 -9.913 6.261 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.015 -8.696 5.134 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.766 -8.785 5.440 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.011 -6.256 0.624 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.336 -4.863 0.376 1.00 0.00 C ATOM 1114 C ILE A 90 -6.696 -4.725 -0.301 1.00 0.00 C ATOM 1115 O ILE A 90 -7.570 -4.018 0.190 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.245 -4.204 -0.495 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -2.952 -4.032 0.311 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.706 -2.868 -1.072 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.090 -3.116 1.511 1.00 0.00 C ATOM 0 H ILE A 90 -4.159 -6.573 0.162 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.381 -4.354 1.339 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.049 -4.867 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.615 -5.011 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.176 -3.639 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.908 -2.439 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.589 -3.025 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.951 -2.185 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.133 -3.047 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.395 -2.124 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.841 -3.518 2.191 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.892 -5.422 -1.412 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.089 -5.243 -2.204 1.00 0.00 C ATOM 1133 C GLN A 91 -9.300 -5.910 -1.548 1.00 0.00 C ATOM 1134 O GLN A 91 -10.432 -5.473 -1.751 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.859 -5.776 -3.615 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.926 -7.286 -3.727 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.215 -7.822 -4.956 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.138 -7.166 -5.358 1.00 0.00 O flip ATOM 1139 NE2 GLN A 91 -7.617 -8.833 -5.526 1.00 0.00 N flip ATOM 0 H GLN A 91 -6.237 -6.112 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.308 -4.177 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.603 -5.340 -4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -6.882 -5.440 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.484 -7.731 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.970 -7.597 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.451 -9.312 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.116 -9.194 -6.338 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.047 -6.928 -0.730 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.105 -7.707 -0.095 1.00 0.00 C ATOM 1150 C GLU A 92 -10.862 -6.889 0.940 1.00 0.00 C ATOM 1151 O GLU A 92 -12.091 -6.835 0.912 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.513 -8.944 0.579 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.544 -9.822 1.243 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.443 -10.526 0.244 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -12.338 -9.868 -0.326 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -11.267 -11.744 0.028 1.00 0.00 O ATOM 0 H GLU A 92 -8.105 -7.235 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.804 -8.005 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.974 -9.530 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.784 -8.627 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.039 -10.566 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.155 -9.216 1.912 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.119 -6.280 1.868 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.722 -5.463 2.927 1.00 0.00 C ATOM 1165 C VAL A 93 -11.716 -4.460 2.344 1.00 0.00 C ATOM 1166 O VAL A 93 -12.756 -4.197 2.949 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.662 -4.726 3.788 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.684 -5.722 4.390 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.916 -3.665 2.988 1.00 0.00 C ATOM 0 H VAL A 93 -9.101 -6.336 1.908 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.253 -6.151 3.584 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.191 -4.215 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.947 -5.190 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.225 -6.428 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.178 -6.264 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.184 -3.174 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.405 -4.135 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.625 -2.926 2.614 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.387 -3.928 1.161 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.319 -3.133 0.355 1.00 0.00 C ATOM 1181 C LYS A 94 -12.663 -1.795 1.019 1.00 0.00 C ATOM 1182 O LYS A 94 -12.850 -1.704 2.229 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.588 -3.965 0.081 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.525 -3.402 -0.985 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.432 -2.298 -0.455 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.346 -2.792 0.657 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.191 -3.936 0.224 1.00 0.00 N ATOM 0 H LYS A 94 -10.466 -4.037 0.736 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.835 -2.888 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.286 -4.968 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.144 -4.065 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.933 -3.012 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.139 -4.209 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.821 -1.475 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.036 -1.903 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.743 -3.092 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.986 -1.975 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.932 -4.108 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.632 -3.715 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.601 -4.787 0.127 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.706 -0.742 0.214 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.188 0.539 0.690 1.00 0.00 C ATOM 1203 C GLY A 95 -12.101 1.413 1.275 1.00 0.00 C ATOM 1204 O GLY A 95 -12.157 2.635 1.164 1.00 0.00 O ATOM 0 H GLY A 95 -12.415 -0.753 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.664 1.069 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.955 0.372 1.446 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.110 0.799 1.899 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.063 1.541 2.555 1.00 0.00 C ATOM 1210 C GLU A 96 -8.750 0.796 2.422 1.00 0.00 C ATOM 1211 O GLU A 96 -8.703 -0.307 1.875 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.406 1.706 4.026 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.395 0.380 4.748 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.814 0.479 6.196 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.980 0.866 7.038 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.988 0.168 6.498 1.00 0.00 O ATOM 0 H GLU A 96 -11.014 -0.215 1.962 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.969 2.522 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.691 2.382 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.390 2.166 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.061 -0.311 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.392 -0.045 4.696 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.703 1.403 2.934 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.371 0.807 2.932 1.00 0.00 C ATOM 1225 C VAL A 97 -5.606 1.236 4.181 1.00 0.00 C ATOM 1226 O VAL A 97 -5.879 2.294 4.756 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.527 1.198 1.689 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.278 0.943 0.395 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.088 2.647 1.766 1.00 0.00 C ATOM 0 H VAL A 97 -7.743 2.326 3.366 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.522 -0.272 2.910 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.641 0.564 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.653 1.230 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.526 -0.116 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.195 1.532 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.498 2.896 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.966 3.291 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.483 2.797 2.660 1.00 0.00 H new ATOM 1239 N THR A 98 -4.665 0.410 4.601 1.00 0.00 N ATOM 1240 CA THR A 98 -3.806 0.736 5.725 1.00 0.00 C ATOM 1241 C THR A 98 -2.372 0.266 5.470 1.00 0.00 C ATOM 1242 O THR A 98 -2.087 -0.933 5.496 1.00 0.00 O ATOM 1243 CB THR A 98 -4.350 0.117 7.029 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.311 -0.908 6.724 1.00 0.00 O ATOM 1245 CG2 THR A 98 -5.003 1.181 7.901 1.00 0.00 C ATOM 0 H THR A 98 -4.475 -0.498 4.177 1.00 0.00 H new ATOM 0 HA THR A 98 -3.797 1.820 5.836 1.00 0.00 H new ATOM 0 HB THR A 98 -3.513 -0.318 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.057 -0.856 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.379 0.722 8.815 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.268 1.945 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.830 1.639 7.358 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.482 1.214 5.197 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.076 0.909 4.938 1.00 0.00 C ATOM 1255 C ILE A 99 0.761 1.170 6.174 1.00 0.00 C ATOM 1256 O ILE A 99 0.553 2.157 6.883 1.00 0.00 O ATOM 1257 CB ILE A 99 0.528 1.714 3.759 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.085 3.117 3.641 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.385 0.945 2.456 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.434 3.154 2.949 1.00 0.00 C ATOM 0 H ILE A 99 -1.710 2.207 5.149 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.053 -0.146 4.666 1.00 0.00 H new ATOM 0 HB ILE A 99 1.589 1.848 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.191 3.539 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.607 3.758 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.815 1.527 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.908 -0.008 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.671 0.764 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.794 4.182 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.334 2.764 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.145 2.542 3.504 1.00 0.00 H new ATOM 1272 N HIS A 100 1.715 0.292 6.423 1.00 0.00 N ATOM 1273 CA HIS A 100 2.509 0.369 7.633 1.00 0.00 C ATOM 1274 C HIS A 100 3.986 0.156 7.336 1.00 0.00 C ATOM 1275 O HIS A 100 4.344 -0.828 6.685 1.00 0.00 O ATOM 1276 CB HIS A 100 2.070 -0.729 8.595 1.00 0.00 C ATOM 1277 CG HIS A 100 2.043 -0.336 10.040 1.00 0.00 C ATOM 1278 ND1 HIS A 100 3.038 -0.253 10.952 1.00 0.00 N flip ATOM 1279 CD2 HIS A 100 0.884 -0.019 10.714 1.00 0.00 C flip ATOM 1280 CE1 HIS A 100 2.469 0.105 12.147 1.00 0.00 C flip ATOM 1281 NE2 HIS A 100 1.167 0.240 11.976 1.00 0.00 N flip ATOM 0 H HIS A 100 1.958 -0.481 5.804 1.00 0.00 H new ATOM 0 HA HIS A 100 2.363 1.359 8.065 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.074 -1.065 8.308 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.740 -1.581 8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.103 0.013 10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.999 0.252 13.076 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.494 0.500 12.697 1.00 0.00 H new ATOM 1290 N TYR A 101 4.811 1.088 7.798 1.00 0.00 N ATOM 1291 CA TYR A 101 6.259 0.884 7.947 1.00 0.00 C ATOM 1292 C TYR A 101 6.979 2.172 8.292 1.00 0.00 C ATOM 1293 O TYR A 101 6.980 2.614 9.442 1.00 0.00 O ATOM 1294 CB TYR A 101 6.939 0.275 6.709 1.00 0.00 C ATOM 1295 CG TYR A 101 8.298 -0.363 7.000 1.00 0.00 C ATOM 1296 CD1 TYR A 101 8.838 -0.368 8.286 1.00 0.00 C ATOM 1297 CD2 TYR A 101 9.022 -0.988 5.994 1.00 0.00 C ATOM 1298 CE1 TYR A 101 10.050 -0.973 8.552 1.00 0.00 C ATOM 1299 CE2 TYR A 101 10.241 -1.591 6.254 1.00 0.00 C ATOM 1300 CZ TYR A 101 10.748 -1.581 7.535 1.00 0.00 C ATOM 1301 OH TYR A 101 11.957 -2.187 7.801 1.00 0.00 O ATOM 0 H TYR A 101 4.498 2.016 8.084 1.00 0.00 H new ATOM 0 HA TYR A 101 6.341 0.169 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.280 -0.478 6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.068 1.054 5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.297 0.111 9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.627 -1.004 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.449 -0.969 9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.792 -2.067 5.456 1.00 0.00 H new ATOM 0 HH TYR A 101 12.320 -2.570 6.975 1.00 0.00 H new ATOM 1311 N ASN A 102 7.570 2.780 7.280 1.00 0.00 N ATOM 1312 CA ASN A 102 8.583 3.790 7.497 1.00 0.00 C ATOM 1313 C ASN A 102 8.677 4.732 6.292 1.00 0.00 C ATOM 1314 O ASN A 102 8.247 4.387 5.186 1.00 0.00 O ATOM 1315 CB ASN A 102 9.913 3.071 7.777 1.00 0.00 C ATOM 1316 CG ASN A 102 10.534 2.456 6.533 1.00 0.00 C ATOM 1317 OD1 ASN A 102 9.841 2.151 5.575 1.00 0.00 O ATOM 1318 ND2 ASN A 102 11.839 2.227 6.560 1.00 0.00 N ATOM 0 H ASN A 102 7.364 2.590 6.299 1.00 0.00 H new ATOM 0 HA ASN A 102 8.326 4.415 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.617 3.779 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.747 2.288 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.295 1.783 5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.387 2.495 7.377 1.00 0.00 H new ATOM 1393 N ASP A 107 14.977 8.539 -3.985 1.00 0.00 N ATOM 1394 CA ASP A 107 14.903 9.035 -5.351 1.00 0.00 C ATOM 1395 C ASP A 107 15.862 8.213 -6.174 1.00 0.00 C ATOM 1396 O ASP A 107 16.829 7.732 -5.612 1.00 0.00 O ATOM 1397 CB ASP A 107 15.289 10.522 -5.418 1.00 0.00 C ATOM 1398 CG ASP A 107 14.381 11.418 -4.596 1.00 0.00 C ATOM 1399 OD1 ASP A 107 13.196 11.569 -4.961 1.00 0.00 O ATOM 1400 OD2 ASP A 107 14.855 11.996 -3.594 1.00 0.00 O ATOM 0 HA ASP A 107 13.885 8.947 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.315 10.639 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.266 10.849 -6.457 1.00 0.00 H new ATOM 1405 N PRO A 108 15.631 8.051 -7.493 1.00 0.00 N ATOM 1406 CA PRO A 108 16.409 7.154 -8.360 1.00 0.00 C ATOM 1407 C PRO A 108 17.869 6.962 -7.930 1.00 0.00 C ATOM 1408 O PRO A 108 18.318 5.833 -7.741 1.00 0.00 O ATOM 1409 CB PRO A 108 16.329 7.882 -9.694 1.00 0.00 C ATOM 1410 CG PRO A 108 14.954 8.466 -9.709 1.00 0.00 C ATOM 1411 CD PRO A 108 14.576 8.732 -8.266 1.00 0.00 C ATOM 0 HA PRO A 108 16.018 6.136 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 108 17.092 8.657 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 108 16.481 7.200 -10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 108 14.932 9.388 -10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 108 14.247 7.779 -10.174 1.00 0.00 H new ATOM 0 HD2 PRO A 108 14.549 9.800 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 108 13.589 8.334 -8.032 1.00 0.00 H new ATOM 1419 N LYS A 109 18.582 8.067 -7.737 1.00 0.00 N ATOM 1420 CA LYS A 109 19.985 8.028 -7.320 1.00 0.00 C ATOM 1421 C LYS A 109 20.177 7.331 -5.967 1.00 0.00 C ATOM 1422 O LYS A 109 21.016 6.445 -5.830 1.00 0.00 O ATOM 1423 CB LYS A 109 20.547 9.453 -7.239 1.00 0.00 C ATOM 1424 CG LYS A 109 19.737 10.385 -6.347 1.00 0.00 C ATOM 1425 CD LYS A 109 20.298 11.804 -6.314 1.00 0.00 C ATOM 1426 CE LYS A 109 21.592 11.906 -5.515 1.00 0.00 C ATOM 1427 NZ LYS A 109 22.793 11.523 -6.306 1.00 0.00 N ATOM 0 H LYS A 109 18.210 9.009 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 109 20.524 7.449 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 109 21.571 9.409 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 109 20.590 9.874 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 109 18.706 10.414 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 109 19.715 9.984 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 109 20.478 12.143 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 109 19.555 12.474 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 109 21.711 12.928 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 109 21.522 11.265 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 23.237 10.685 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 22.510 11.305 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 23.472 12.311 -6.310 1.00 0.00 H new ATOM 1441 N GLN A 110 19.401 7.743 -4.978 1.00 0.00 N ATOM 1442 CA GLN A 110 19.552 7.272 -3.616 1.00 0.00 C ATOM 1443 C GLN A 110 18.703 6.047 -3.344 1.00 0.00 C ATOM 1444 O GLN A 110 18.819 5.394 -2.312 1.00 0.00 O ATOM 1445 CB GLN A 110 19.186 8.387 -2.666 1.00 0.00 C ATOM 1446 CG GLN A 110 17.751 8.788 -2.709 1.00 0.00 C ATOM 1447 CD GLN A 110 17.428 9.918 -1.756 1.00 0.00 C ATOM 1448 OE1 GLN A 110 17.520 11.090 -2.112 1.00 0.00 O ATOM 1449 NE2 GLN A 110 17.048 9.576 -0.535 1.00 0.00 N ATOM 0 H GLN A 110 18.645 8.417 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 110 20.591 6.980 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 110 19.434 8.078 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.801 9.258 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.493 9.090 -3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.130 7.926 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.984 8.591 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.819 10.297 0.149 1.00 0.00 H new ATOM 1458 N LEU A 111 17.856 5.755 -4.288 1.00 0.00 N ATOM 1459 CA LEU A 111 16.941 4.641 -4.201 1.00 0.00 C ATOM 1460 C LEU A 111 17.632 3.380 -4.698 1.00 0.00 C ATOM 1461 O LEU A 111 17.509 2.315 -4.092 1.00 0.00 O ATOM 1462 CB LEU A 111 15.679 4.993 -5.001 1.00 0.00 C ATOM 1463 CG LEU A 111 14.617 3.895 -5.204 1.00 0.00 C ATOM 1464 CD1 LEU A 111 15.008 2.926 -6.312 1.00 0.00 C ATOM 1465 CD2 LEU A 111 14.365 3.148 -3.902 1.00 0.00 C ATOM 0 H LEU A 111 17.776 6.288 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 111 16.640 4.446 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.196 5.836 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 111 15.994 5.338 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 111 13.693 4.386 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.233 2.168 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 111 15.119 3.471 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 111 15.952 2.445 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.612 2.377 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.292 2.685 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.010 3.847 -3.144 1.00 0.00 H new ATOM 1477 N GLU A 112 18.391 3.512 -5.782 1.00 0.00 N ATOM 1478 CA GLU A 112 19.191 2.403 -6.279 1.00 0.00 C ATOM 1479 C GLU A 112 20.263 2.048 -5.254 1.00 0.00 C ATOM 1480 O GLU A 112 20.792 0.947 -5.249 1.00 0.00 O ATOM 1481 CB GLU A 112 19.842 2.756 -7.614 1.00 0.00 C ATOM 1482 CG GLU A 112 20.754 3.961 -7.525 1.00 0.00 C ATOM 1483 CD GLU A 112 21.660 4.110 -8.727 1.00 0.00 C ATOM 1484 OE1 GLU A 112 21.167 4.496 -9.806 1.00 0.00 O ATOM 1485 OE2 GLU A 112 22.877 3.858 -8.599 1.00 0.00 O ATOM 0 H GLU A 112 18.467 4.370 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 112 18.537 1.545 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.414 1.900 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.064 2.950 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.148 4.861 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.364 3.882 -6.625 1.00 0.00 H new ATOM 1492 N VAL A 113 20.566 3.002 -4.381 1.00 0.00 N ATOM 1493 CA VAL A 113 21.487 2.786 -3.274 1.00 0.00 C ATOM 1494 C VAL A 113 20.998 1.641 -2.389 1.00 0.00 C ATOM 1495 O VAL A 113 21.786 0.824 -1.908 1.00 0.00 O ATOM 1496 CB VAL A 113 21.633 4.077 -2.441 1.00 0.00 C ATOM 1497 CG1 VAL A 113 22.409 3.841 -1.159 1.00 0.00 C ATOM 1498 CG2 VAL A 113 22.305 5.154 -3.269 1.00 0.00 C ATOM 0 H VAL A 113 20.180 3.945 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 113 22.462 2.519 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 113 20.632 4.405 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 113 22.488 4.776 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 113 21.890 3.100 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 113 23.408 3.477 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 113 22.404 6.062 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 113 23.293 4.812 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 113 21.702 5.363 -4.152 1.00 0.00 H new ATOM 1508 N LEU A 114 19.689 1.585 -2.201 1.00 0.00 N ATOM 1509 CA LEU A 114 19.068 0.523 -1.425 1.00 0.00 C ATOM 1510 C LEU A 114 18.904 -0.737 -2.271 1.00 0.00 C ATOM 1511 O LEU A 114 18.810 -1.846 -1.742 1.00 0.00 O ATOM 1512 CB LEU A 114 17.701 0.971 -0.890 1.00 0.00 C ATOM 1513 CG LEU A 114 17.724 1.852 0.369 1.00 0.00 C ATOM 1514 CD1 LEU A 114 18.360 3.205 0.089 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.316 2.031 0.914 1.00 0.00 C ATOM 0 H LEU A 114 19.032 2.268 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 114 19.720 0.298 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 114 17.185 1.516 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 114 17.108 0.082 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 114 18.332 1.347 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 114 18.360 3.803 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 114 19.386 3.062 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.791 3.722 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 114 16.348 2.657 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 114 15.691 2.507 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 114 15.898 1.057 1.169 1.00 0.00 H new ATOM 1527 N PHE A 115 18.882 -0.560 -3.586 1.00 0.00 N ATOM 1528 CA PHE A 115 18.640 -1.665 -4.505 1.00 0.00 C ATOM 1529 C PHE A 115 19.914 -2.002 -5.290 1.00 0.00 C ATOM 1530 O PHE A 115 19.858 -2.350 -6.471 1.00 0.00 O ATOM 1531 CB PHE A 115 17.482 -1.306 -5.448 1.00 0.00 C ATOM 1532 CG PHE A 115 16.942 -2.470 -6.237 1.00 0.00 C ATOM 1533 CD1 PHE A 115 16.543 -3.633 -5.599 1.00 0.00 C ATOM 1534 CD2 PHE A 115 16.830 -2.396 -7.616 1.00 0.00 C ATOM 1535 CE1 PHE A 115 16.043 -4.701 -6.321 1.00 0.00 C ATOM 1536 CE2 PHE A 115 16.331 -3.460 -8.343 1.00 0.00 C ATOM 1537 CZ PHE A 115 15.938 -4.614 -7.695 1.00 0.00 C ATOM 0 H PHE A 115 19.029 0.341 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 115 18.361 -2.552 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 115 16.672 -0.873 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 115 17.819 -0.537 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 115 16.623 -3.706 -4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 115 17.136 -1.496 -8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 115 15.735 -5.602 -5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 115 16.248 -3.389 -9.417 1.00 0.00 H new ATOM 0 HZ PHE A 115 15.549 -5.447 -8.262 1.00 0.00 H new ATOM 1721 N LEU A 126 4.454 -6.903 -7.440 1.00 0.00 N ATOM 1722 CA LEU A 126 3.005 -6.956 -7.309 1.00 0.00 C ATOM 1723 C LEU A 126 2.450 -5.544 -7.379 1.00 0.00 C ATOM 1724 O LEU A 126 3.202 -4.580 -7.301 1.00 0.00 O ATOM 1725 CB LEU A 126 2.607 -7.618 -5.989 1.00 0.00 C ATOM 1726 CG LEU A 126 2.823 -6.765 -4.741 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.513 -6.151 -4.267 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.449 -7.600 -3.647 1.00 0.00 C ATOM 0 HA LEU A 126 2.592 -7.552 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.554 -7.894 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.174 -8.543 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 126 3.501 -5.949 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.695 -5.548 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.101 -5.520 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.804 -6.944 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.600 -6.984 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.790 -8.433 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.410 -7.986 -3.988 1.00 0.00 H new ATOM 1740 N LYS A 127 1.144 -5.419 -7.507 1.00 0.00 N ATOM 1741 CA LYS A 127 0.517 -4.122 -7.634 1.00 0.00 C ATOM 1742 C LYS A 127 -0.882 -4.155 -7.043 1.00 0.00 C ATOM 1743 O LYS A 127 -1.641 -5.095 -7.273 1.00 0.00 O ATOM 1744 CB LYS A 127 0.472 -3.685 -9.104 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.356 -4.594 -10.002 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.323 -4.140 -11.456 1.00 0.00 C ATOM 1747 CE LYS A 127 -0.912 -2.745 -11.639 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.335 -2.672 -11.208 1.00 0.00 N ATOM 0 H LYS A 127 0.495 -6.206 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 127 1.111 -3.394 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.068 -2.674 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.491 -3.642 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.021 -5.614 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.388 -4.610 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.707 -4.147 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.878 -4.850 -12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.324 -2.027 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.837 -2.456 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.741 -1.762 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.870 -3.449 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.389 -2.754 -10.173 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.206 -3.140 -6.265 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.523 -3.022 -5.680 1.00 0.00 C ATOM 1764 C VAL A 128 -2.804 -1.569 -5.335 1.00 0.00 C ATOM 1765 O VAL A 128 -2.294 -0.679 -6.041 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.687 -3.923 -4.436 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.844 -3.427 -3.279 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.155 -4.047 -4.064 1.00 0.00 C ATOM 1769 OXT VAL A 128 -3.564 -1.316 -4.406 1.00 0.00 O ATOM 0 H VAL A 128 -0.568 -2.381 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.250 -3.364 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.322 -4.920 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.983 -4.083 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.793 -3.426 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.149 -2.414 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.255 -4.685 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.559 -3.059 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.705 -4.486 -4.896 1.00 0.00 H new