USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=15 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 72 HIS : no HD1:sc= -6.88! C(o=-10!,f=-11!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -3.35 F(o=-11!,f=-10) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -3.08! C(o=-2.3!,f=-14!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.747 K(o=-2.3,f=-6.7!) USER MOD Set 3.1: A 26 TYR OH : rot 70:sc= -2.99! USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= -2.51! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.37 K(o=-0.37,f=-4.1!) USER MOD Single : A 12 ASN : amide:sc= -0.714 X(o=-0.71,f=-1.1) USER MOD Single : A 19 ASN :FLIP amide:sc= -6.6! C(o=-8.1!,f=-6.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.2!) USER MOD Single : A 31 MET CE :methyl 159:sc= -0.279 (180deg=-0.821) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= -0.431 (180deg=-1.27!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.54 F(o=-1.4,f=-0.54) USER MOD Single : A 61 ASN : amide:sc= -0.541 K(o=-0.54,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 92:sc= 0.307 USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0908) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -76:sc= 0.568! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= -0.0152 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.161 3.934 -3.953 1.00 0.00 N ATOM 122 CA TYR A 8 -13.863 3.286 -3.999 1.00 0.00 C ATOM 123 C TYR A 8 -13.829 2.052 -3.099 1.00 0.00 C ATOM 124 O TYR A 8 -13.640 2.149 -1.893 1.00 0.00 O ATOM 125 CB TYR A 8 -12.766 4.269 -3.588 1.00 0.00 C ATOM 126 CG TYR A 8 -12.833 4.703 -2.139 1.00 0.00 C ATOM 127 CD1 TYR A 8 -13.756 5.647 -1.716 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.973 4.163 -1.195 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.817 6.040 -0.404 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.027 4.555 0.050 1.00 0.00 C ATOM 131 CZ TYR A 8 -12.956 5.495 0.441 1.00 0.00 C ATOM 132 OH TYR A 8 -13.016 5.884 1.761 1.00 0.00 O ATOM 0 HA TYR A 8 -13.685 2.962 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.795 3.811 -3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.828 5.152 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.439 6.080 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.254 3.414 -1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.542 6.768 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.342 4.141 0.775 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.330 5.408 2.274 1.00 0.00 H new ATOM 142 N ASP A 9 -14.033 0.888 -3.706 1.00 0.00 N ATOM 143 CA ASP A 9 -14.033 -0.298 -2.969 1.00 0.00 C ATOM 144 C ASP A 9 -12.627 -0.626 -2.464 1.00 0.00 C ATOM 145 O ASP A 9 -12.024 -1.605 -2.893 1.00 0.00 O ATOM 146 CB ASP A 9 -14.555 -1.420 -3.853 1.00 0.00 C ATOM 147 CG ASP A 9 -15.168 -2.549 -3.052 1.00 0.00 C ATOM 148 OD1 ASP A 9 -14.732 -2.762 -1.896 1.00 0.00 O ATOM 149 OD2 ASP A 9 -16.088 -3.219 -3.566 1.00 0.00 O ATOM 0 H ASP A 9 -14.197 0.776 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.677 -0.183 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.300 -1.020 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.738 -1.811 -4.460 1.00 0.00 H new ATOM 154 N ASN A 10 -12.130 0.118 -1.549 1.00 0.00 N ATOM 155 CA ASN A 10 -10.803 -0.033 -0.985 1.00 0.00 C ATOM 156 C ASN A 10 -10.699 -1.373 -0.326 1.00 0.00 C ATOM 157 O ASN A 10 -11.606 -1.798 0.330 1.00 0.00 O ATOM 158 CB ASN A 10 -10.496 1.012 -0.010 1.00 0.00 C ATOM 159 CG ASN A 10 -11.649 1.265 0.904 1.00 0.00 C ATOM 160 OD1 ASN A 10 -12.707 1.752 0.502 1.00 0.00 O ATOM 161 ND2 ASN A 10 -11.451 0.941 2.172 1.00 0.00 N ATOM 0 H ASN A 10 -12.648 0.895 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.083 0.053 -1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.624 0.720 0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.236 1.933 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.190 1.092 2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.559 0.540 2.463 1.00 0.00 H new ATOM 168 N ILE A 11 -9.590 -2.060 -0.568 1.00 0.00 N ATOM 169 CA ILE A 11 -9.368 -3.379 -0.023 1.00 0.00 C ATOM 170 C ILE A 11 -8.822 -3.272 1.355 1.00 0.00 C ATOM 171 O ILE A 11 -7.610 -3.282 1.573 1.00 0.00 O ATOM 172 CB ILE A 11 -8.402 -4.225 -0.852 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.236 -5.627 -0.272 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.056 -3.532 -0.977 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.400 -6.733 -1.272 1.00 0.00 C ATOM 0 H ILE A 11 -8.825 -1.713 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.339 -3.875 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.832 -4.333 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.247 -5.706 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.964 -5.765 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.382 -4.150 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.188 -2.567 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.631 -3.381 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.266 -7.695 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.398 -6.685 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.655 -6.624 -2.060 1.00 0.00 H new ATOM 187 N ASN A 12 -9.722 -3.160 2.320 1.00 0.00 N ATOM 188 CA ASN A 12 -9.340 -3.047 3.729 1.00 0.00 C ATOM 189 C ASN A 12 -8.160 -2.088 3.920 1.00 0.00 C ATOM 190 O ASN A 12 -7.383 -2.228 4.867 1.00 0.00 O ATOM 191 CB ASN A 12 -8.988 -4.419 4.298 1.00 0.00 C ATOM 192 CG ASN A 12 -9.171 -4.489 5.803 1.00 0.00 C ATOM 193 OD1 ASN A 12 -10.208 -4.928 6.293 1.00 0.00 O ATOM 194 ND2 ASN A 12 -8.159 -4.055 6.539 1.00 0.00 N ATOM 0 H ASN A 12 -10.729 -3.144 2.157 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.197 -2.641 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.612 -5.176 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.954 -4.657 4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.222 -4.077 7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.316 -3.699 6.088 1.00 0.00 H new ATOM 201 N LEU A 13 -8.036 -1.123 3.020 1.00 0.00 N ATOM 202 CA LEU A 13 -6.954 -0.157 3.089 1.00 0.00 C ATOM 203 C LEU A 13 -7.259 0.863 4.123 1.00 0.00 C ATOM 204 O LEU A 13 -6.952 2.038 3.910 1.00 0.00 O ATOM 205 CB LEU A 13 -6.731 0.434 1.719 1.00 0.00 C ATOM 206 CG LEU A 13 -6.463 -0.464 0.572 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.100 -0.007 -0.638 1.00 0.00 C ATOM 208 CD2 LEU A 13 -4.965 -0.658 0.388 1.00 0.00 C ATOM 0 H LEU A 13 -8.672 -0.990 2.234 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.023 -0.637 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.612 1.026 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.893 1.126 1.795 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.904 -1.435 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.875 -0.697 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.179 0.036 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.729 0.986 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.785 -1.320 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.493 0.307 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.542 -1.100 1.290 1.00 0.00 H new ATOM 220 N ASP A 14 -7.843 0.467 5.244 1.00 0.00 N ATOM 221 CA ASP A 14 -8.154 1.397 6.312 1.00 0.00 C ATOM 222 C ASP A 14 -7.136 1.253 7.435 1.00 0.00 C ATOM 223 O ASP A 14 -6.691 2.239 8.023 1.00 0.00 O ATOM 224 CB ASP A 14 -9.569 1.145 6.852 1.00 0.00 C ATOM 225 CG ASP A 14 -10.199 2.394 7.416 1.00 0.00 C ATOM 226 OD1 ASP A 14 -10.466 3.328 6.637 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.438 2.433 8.644 1.00 0.00 O ATOM 0 H ASP A 14 -8.111 -0.498 5.435 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.111 2.411 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.197 0.754 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.528 0.380 7.627 1.00 0.00 H new ATOM 232 N GLU A 15 -6.762 0.012 7.711 1.00 0.00 N ATOM 233 CA GLU A 15 -5.777 -0.226 8.744 1.00 0.00 C ATOM 234 C GLU A 15 -4.459 0.428 8.456 1.00 0.00 C ATOM 235 O GLU A 15 -3.762 0.845 9.373 1.00 0.00 O ATOM 236 CB GLU A 15 -5.555 -1.710 8.852 1.00 0.00 C ATOM 237 CG GLU A 15 -6.506 -2.401 9.814 1.00 0.00 C ATOM 238 CD GLU A 15 -7.966 -2.169 9.460 1.00 0.00 C ATOM 239 OE1 GLU A 15 -8.397 -1.004 9.487 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.671 -3.158 9.158 1.00 0.00 O ATOM 0 H GLU A 15 -7.117 -0.823 7.245 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.161 0.202 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.663 -2.157 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.530 -1.893 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.302 -3.472 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.319 -2.040 10.826 1.00 0.00 H new ATOM 247 N ILE A 16 -4.132 0.554 7.174 1.00 0.00 N ATOM 248 CA ILE A 16 -2.892 1.217 6.784 1.00 0.00 C ATOM 249 C ILE A 16 -3.148 2.651 6.331 1.00 0.00 C ATOM 250 O ILE A 16 -2.228 3.340 5.872 1.00 0.00 O ATOM 251 CB ILE A 16 -2.168 0.458 5.661 1.00 0.00 C ATOM 252 CG1 ILE A 16 -2.069 -0.954 5.995 1.00 0.00 C ATOM 253 CG2 ILE A 16 -0.779 1.054 5.434 1.00 0.00 C ATOM 254 CD1 ILE A 16 -2.537 -1.853 4.875 1.00 0.00 C ATOM 0 H ILE A 16 -4.698 0.212 6.398 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.256 1.227 7.669 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.742 0.557 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.034 -1.194 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.662 -1.154 6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.275 0.509 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.875 2.103 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.195 0.976 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.440 -2.895 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.581 -1.637 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.928 -1.677 3.988 1.00 0.00 H new ATOM 266 N LEU A 17 -4.389 3.108 6.460 1.00 0.00 N ATOM 267 CA LEU A 17 -4.748 4.466 6.070 1.00 0.00 C ATOM 268 C LEU A 17 -5.159 5.290 7.290 1.00 0.00 C ATOM 269 O LEU A 17 -5.312 6.509 7.207 1.00 0.00 O ATOM 270 CB LEU A 17 -5.880 4.427 5.040 1.00 0.00 C ATOM 271 CG LEU A 17 -6.606 5.758 4.803 1.00 0.00 C ATOM 272 CD1 LEU A 17 -5.672 6.760 4.153 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.846 5.542 3.953 1.00 0.00 C ATOM 0 H LEU A 17 -5.163 2.558 6.832 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.877 4.944 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.471 4.082 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.613 3.686 5.359 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.921 6.161 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.201 7.699 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.815 6.934 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.327 6.368 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.349 6.496 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.558 5.119 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.522 4.856 4.463 1.00 0.00 H new ATOM 285 N ALA A 18 -5.346 4.619 8.427 1.00 0.00 N ATOM 286 CA ALA A 18 -5.744 5.284 9.662 1.00 0.00 C ATOM 287 C ALA A 18 -4.813 6.451 9.988 1.00 0.00 C ATOM 288 O ALA A 18 -5.262 7.591 10.122 1.00 0.00 O ATOM 289 CB ALA A 18 -5.771 4.292 10.811 1.00 0.00 C ATOM 0 H ALA A 18 -5.227 3.610 8.515 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.747 5.685 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.070 4.803 11.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.484 3.498 10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.778 3.862 10.943 1.00 0.00 H new ATOM 295 N ASN A 19 -3.521 6.167 10.125 1.00 0.00 N ATOM 296 CA ASN A 19 -2.547 7.201 10.444 1.00 0.00 C ATOM 297 C ASN A 19 -1.116 6.722 10.226 1.00 0.00 C ATOM 298 O ASN A 19 -0.864 5.543 9.967 1.00 0.00 O ATOM 299 CB ASN A 19 -2.720 7.667 11.896 1.00 0.00 C ATOM 300 CG ASN A 19 -3.336 6.605 12.789 1.00 0.00 C ATOM 301 OD1 ASN A 19 -2.940 5.356 12.585 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.154 6.907 13.660 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.127 5.232 10.020 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.729 8.036 9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.748 7.954 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.348 8.558 11.914 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.431 7.881 13.783 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.554 6.183 14.257 1.00 0.00 H new ATOM 309 N LYS A 20 -0.192 7.663 10.335 1.00 0.00 N ATOM 310 CA LYS A 20 1.158 7.362 10.161 1.00 0.00 C ATOM 311 C LYS A 20 1.603 6.247 11.089 1.00 0.00 C ATOM 312 O LYS A 20 2.398 5.406 10.706 1.00 0.00 O ATOM 313 CB LYS A 20 2.005 8.623 10.363 1.00 0.00 C ATOM 314 CG LYS A 20 2.323 8.947 11.817 1.00 0.00 C ATOM 315 CD LYS A 20 1.105 9.463 12.559 1.00 0.00 C ATOM 316 CE LYS A 20 1.289 9.381 14.067 1.00 0.00 C ATOM 317 NZ LYS A 20 0.625 10.512 14.769 1.00 0.00 N ATOM 0 H LYS A 20 -0.389 8.641 10.546 1.00 0.00 H new ATOM 0 HA LYS A 20 1.302 7.005 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.941 8.507 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.481 9.471 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.700 8.053 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.117 9.693 11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.914 10.497 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.229 8.884 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.882 8.438 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.353 9.381 14.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.774 10.420 15.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.031 11.411 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.395 10.497 14.564 1.00 0.00 H new ATOM 331 N ARG A 21 1.088 6.243 12.311 1.00 0.00 N ATOM 332 CA ARG A 21 1.453 5.213 13.272 1.00 0.00 C ATOM 333 C ARG A 21 1.257 3.817 12.669 1.00 0.00 C ATOM 334 O ARG A 21 1.972 2.878 13.024 1.00 0.00 O ATOM 335 CB ARG A 21 0.640 5.354 14.556 1.00 0.00 C ATOM 336 CG ARG A 21 -0.767 5.121 14.362 1.00 0.00 C ATOM 337 CD ARG A 21 -1.433 4.678 15.655 1.00 0.00 C ATOM 338 NE ARG A 21 -1.168 5.613 16.749 1.00 0.00 N ATOM 339 CZ ARG A 21 -1.804 6.769 16.907 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.740 7.143 16.041 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.506 7.555 17.933 1.00 0.00 N ATOM 0 H ARG A 21 0.423 6.934 12.657 1.00 0.00 H new ATOM 0 HA ARG A 21 2.507 5.341 13.518 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.020 4.652 15.298 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.784 6.355 14.962 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.243 6.032 13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.910 4.359 13.596 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.509 4.595 15.500 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.073 3.686 15.929 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.452 5.362 17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.973 6.542 15.251 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.225 8.031 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.789 7.272 18.601 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.994 8.442 18.054 1.00 0.00 H new ATOM 355 N LEU A 22 0.294 3.692 11.772 1.00 0.00 N ATOM 356 CA LEU A 22 0.021 2.416 11.131 1.00 0.00 C ATOM 357 C LEU A 22 0.787 2.251 9.841 1.00 0.00 C ATOM 358 O LEU A 22 1.553 1.307 9.685 1.00 0.00 O ATOM 359 CB LEU A 22 -1.413 2.276 10.863 1.00 0.00 C ATOM 360 CG LEU A 22 -2.202 1.595 11.983 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.606 2.180 12.072 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.278 0.096 11.744 1.00 0.00 C ATOM 0 H LEU A 22 -0.311 4.456 11.471 1.00 0.00 H new ATOM 0 HA LEU A 22 0.348 1.638 11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.836 3.265 10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.544 1.705 9.944 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.685 1.773 12.926 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.156 1.686 12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.543 3.248 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.125 2.025 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.843 -0.373 12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.775 -0.096 10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.271 -0.320 11.717 1.00 0.00 H new ATOM 374 N LEU A 23 0.600 3.183 8.902 1.00 0.00 N ATOM 375 CA LEU A 23 1.311 3.112 7.629 1.00 0.00 C ATOM 376 C LEU A 23 2.812 3.054 7.868 1.00 0.00 C ATOM 377 O LEU A 23 3.550 2.369 7.145 1.00 0.00 O ATOM 378 CB LEU A 23 0.953 4.321 6.748 1.00 0.00 C ATOM 379 CG LEU A 23 1.787 5.583 6.991 1.00 0.00 C ATOM 380 CD1 LEU A 23 3.048 5.558 6.144 1.00 0.00 C ATOM 381 CD2 LEU A 23 0.962 6.826 6.692 1.00 0.00 C ATOM 0 H LEU A 23 -0.027 3.981 8.999 1.00 0.00 H new ATOM 0 HA LEU A 23 1.007 2.204 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.060 4.031 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.098 4.565 6.905 1.00 0.00 H new ATOM 0 HG LEU A 23 2.082 5.610 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.629 6.462 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.644 4.684 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.777 5.510 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.567 7.715 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.640 6.807 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.087 6.847 7.342 1.00 0.00 H new ATOM 393 N VAL A 24 3.265 3.764 8.894 1.00 0.00 N ATOM 394 CA VAL A 24 4.666 3.800 9.254 1.00 0.00 C ATOM 395 C VAL A 24 5.103 2.477 9.871 1.00 0.00 C ATOM 396 O VAL A 24 6.159 1.952 9.537 1.00 0.00 O ATOM 397 CB VAL A 24 4.972 4.958 10.226 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.406 4.873 10.750 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.731 6.302 9.546 1.00 0.00 C ATOM 0 H VAL A 24 2.667 4.329 9.496 1.00 0.00 H new ATOM 0 HA VAL A 24 5.230 3.966 8.336 1.00 0.00 H new ATOM 0 HB VAL A 24 4.297 4.871 11.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.594 5.702 11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.545 3.929 11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.103 4.927 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.952 7.108 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.379 6.390 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.689 6.369 9.232 1.00 0.00 H new ATOM 409 N ALA A 25 4.281 1.934 10.771 1.00 0.00 N ATOM 410 CA ALA A 25 4.607 0.661 11.405 1.00 0.00 C ATOM 411 C ALA A 25 4.790 -0.356 10.349 1.00 0.00 C ATOM 412 O ALA A 25 5.757 -1.106 10.369 1.00 0.00 O ATOM 413 CB ALA A 25 3.517 0.270 12.400 1.00 0.00 C ATOM 0 H ALA A 25 3.399 2.350 11.072 1.00 0.00 H new ATOM 0 HA ALA A 25 5.534 0.743 11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.774 -0.682 12.865 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.433 1.039 13.168 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.565 0.174 11.878 1.00 0.00 H new ATOM 419 N TYR A 26 3.854 -0.402 9.407 1.00 0.00 N ATOM 420 CA TYR A 26 3.907 -1.351 8.321 1.00 0.00 C ATOM 421 C TYR A 26 5.182 -1.145 7.534 1.00 0.00 C ATOM 422 O TYR A 26 5.993 -2.066 7.384 1.00 0.00 O ATOM 423 CB TYR A 26 2.664 -1.192 7.418 1.00 0.00 C ATOM 424 CG TYR A 26 2.493 -2.247 6.337 1.00 0.00 C ATOM 425 CD1 TYR A 26 3.460 -2.437 5.361 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.351 -3.051 6.292 1.00 0.00 C ATOM 427 CE1 TYR A 26 3.303 -3.392 4.370 1.00 0.00 C ATOM 428 CE2 TYR A 26 1.197 -4.003 5.309 1.00 0.00 C ATOM 429 CZ TYR A 26 2.170 -4.166 4.353 1.00 0.00 C ATOM 430 OH TYR A 26 2.020 -5.117 3.369 1.00 0.00 O ATOM 0 H TYR A 26 3.044 0.218 9.382 1.00 0.00 H new ATOM 0 HA TYR A 26 3.905 -2.365 8.720 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.776 -1.199 8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.708 -0.213 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.352 -1.829 5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.580 -2.924 7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.066 -3.526 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.312 -4.621 5.290 1.00 0.00 H new ATOM 0 HH TYR A 26 2.657 -5.846 3.519 1.00 0.00 H new ATOM 440 N VAL A 27 5.380 0.002 7.044 1.00 0.00 N ATOM 441 CA VAL A 27 6.580 0.304 6.299 1.00 0.00 C ATOM 442 C VAL A 27 7.803 0.049 7.170 1.00 0.00 C ATOM 443 O VAL A 27 8.847 -0.341 6.698 1.00 0.00 O ATOM 444 CB VAL A 27 6.602 1.775 5.848 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.838 2.071 5.029 1.00 0.00 C ATOM 446 CG2 VAL A 27 5.334 2.103 5.076 1.00 0.00 C ATOM 0 H VAL A 27 4.729 0.782 7.133 1.00 0.00 H new ATOM 0 HA VAL A 27 6.595 -0.338 5.418 1.00 0.00 H new ATOM 0 HB VAL A 27 6.638 2.411 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.830 3.117 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.727 1.876 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.850 1.434 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.359 3.146 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.266 1.461 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.466 1.938 5.715 1.00 0.00 H new ATOM 456 N ASN A 28 7.656 0.343 8.450 1.00 0.00 N ATOM 457 CA ASN A 28 8.729 0.154 9.423 1.00 0.00 C ATOM 458 C ASN A 28 9.265 -1.185 9.377 1.00 0.00 C ATOM 459 O ASN A 28 10.477 -1.388 9.249 1.00 0.00 O ATOM 460 CB ASN A 28 8.234 0.486 10.836 1.00 0.00 C ATOM 461 CG ASN A 28 8.691 1.857 11.298 1.00 0.00 C ATOM 462 OD1 ASN A 28 9.207 2.649 10.509 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.495 2.139 12.585 1.00 0.00 N ATOM 0 H ASN A 28 6.795 0.718 8.848 1.00 0.00 H new ATOM 0 HA ASN A 28 9.536 0.838 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.145 0.442 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.597 -0.270 11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.777 3.046 12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.063 1.448 13.198 1.00 0.00 H new ATOM 470 N CYS A 29 8.382 -2.176 9.447 1.00 0.00 N ATOM 471 CA CYS A 29 8.837 -3.563 9.378 1.00 0.00 C ATOM 472 C CYS A 29 9.298 -3.863 7.965 1.00 0.00 C ATOM 473 O CYS A 29 10.344 -4.470 7.764 1.00 0.00 O ATOM 474 CB CYS A 29 7.738 -4.531 9.815 1.00 0.00 C ATOM 475 SG CYS A 29 7.971 -5.316 11.444 1.00 0.00 S ATOM 0 H CYS A 29 7.375 -2.053 9.549 1.00 0.00 H new ATOM 0 HA CYS A 29 9.672 -3.698 10.066 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.790 -3.994 9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.652 -5.316 9.064 1.00 0.00 H new ATOM 480 N VAL A 30 8.530 -3.389 6.985 1.00 0.00 N ATOM 481 CA VAL A 30 8.902 -3.578 5.585 1.00 0.00 C ATOM 482 C VAL A 30 10.288 -2.996 5.346 1.00 0.00 C ATOM 483 O VAL A 30 10.979 -3.381 4.405 1.00 0.00 O ATOM 484 CB VAL A 30 7.885 -2.907 4.639 1.00 0.00 C ATOM 485 CG1 VAL A 30 8.321 -3.031 3.183 1.00 0.00 C ATOM 486 CG2 VAL A 30 6.499 -3.503 4.823 1.00 0.00 C ATOM 0 H VAL A 30 7.659 -2.879 7.131 1.00 0.00 H new ATOM 0 HA VAL A 30 8.906 -4.647 5.373 1.00 0.00 H new ATOM 0 HB VAL A 30 7.846 -1.848 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.584 -2.549 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.289 -2.548 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.401 -4.085 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.800 -3.014 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.530 -4.570 4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.172 -3.353 5.852 1.00 0.00 H new ATOM 496 N MET A 31 10.693 -2.066 6.225 1.00 0.00 N ATOM 497 CA MET A 31 11.995 -1.436 6.115 1.00 0.00 C ATOM 498 C MET A 31 13.115 -2.465 6.074 1.00 0.00 C ATOM 499 O MET A 31 14.100 -2.281 5.363 1.00 0.00 O ATOM 500 CB MET A 31 12.210 -0.492 7.288 1.00 0.00 C ATOM 501 CG MET A 31 13.121 0.609 6.965 1.00 0.00 C ATOM 502 SD MET A 31 14.378 0.896 8.224 1.00 0.00 S ATOM 503 CE MET A 31 15.348 -0.531 8.072 1.00 0.00 C ATOM 0 H MET A 31 10.132 -1.742 7.013 1.00 0.00 H new ATOM 0 HA MET A 31 12.018 -0.877 5.179 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.249 -0.084 7.602 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.609 -1.053 8.133 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.612 0.397 6.015 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.541 1.522 6.828 1.00 0.00 H new ATOM 0 HE1 MET A 31 16.337 -0.345 8.491 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.874 -1.352 8.610 1.00 0.00 H new ATOM 0 HE3 MET A 31 15.444 -0.795 7.019 1.00 0.00 H new ATOM 513 N GLU A 32 12.977 -3.557 6.833 1.00 0.00 N ATOM 514 CA GLU A 32 14.022 -4.583 6.844 1.00 0.00 C ATOM 515 C GLU A 32 13.546 -5.915 7.424 1.00 0.00 C ATOM 516 O GLU A 32 13.913 -6.973 6.919 1.00 0.00 O ATOM 517 CB GLU A 32 15.235 -4.083 7.622 1.00 0.00 C ATOM 518 CG GLU A 32 16.433 -5.018 7.541 1.00 0.00 C ATOM 519 CD GLU A 32 17.552 -4.614 8.485 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.954 -3.428 8.451 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.024 -5.477 9.246 1.00 0.00 O ATOM 0 H GLU A 32 12.175 -3.750 7.432 1.00 0.00 H new ATOM 0 HA GLU A 32 14.293 -4.768 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.522 -3.103 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.957 -3.950 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.114 -6.033 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.811 -5.031 6.519 1.00 0.00 H new ATOM 528 N ARG A 33 12.755 -5.860 8.483 1.00 0.00 N ATOM 529 CA ARG A 33 12.264 -7.067 9.127 1.00 0.00 C ATOM 530 C ARG A 33 10.882 -7.446 8.617 1.00 0.00 C ATOM 531 O ARG A 33 10.176 -8.241 9.236 1.00 0.00 O ATOM 532 CB ARG A 33 12.225 -6.862 10.646 1.00 0.00 C ATOM 533 CG ARG A 33 11.317 -5.742 11.082 1.00 0.00 C ATOM 534 CD ARG A 33 10.976 -5.845 12.560 1.00 0.00 C ATOM 535 NE ARG A 33 10.541 -4.569 13.115 1.00 0.00 N ATOM 536 CZ ARG A 33 11.344 -3.509 13.242 1.00 0.00 C ATOM 537 NH1 ARG A 33 12.610 -3.577 12.871 1.00 0.00 N ATOM 538 NH2 ARG A 33 10.864 -2.384 13.755 1.00 0.00 N ATOM 0 H ARG A 33 12.439 -4.992 8.915 1.00 0.00 H new ATOM 0 HA ARG A 33 12.945 -7.883 8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.899 -7.788 11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.235 -6.659 11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.798 -4.784 10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.400 -5.765 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.189 -6.587 12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.849 -6.199 13.109 1.00 0.00 H new ATOM 0 HE ARG A 33 9.572 -4.481 13.423 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.982 -4.444 12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.215 -2.762 12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.889 -2.333 14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.470 -1.570 13.856 1.00 0.00 H new ATOM 552 N GLY A 34 10.506 -6.857 7.481 1.00 0.00 N ATOM 553 CA GLY A 34 9.199 -7.116 6.869 1.00 0.00 C ATOM 554 C GLY A 34 8.622 -8.486 7.161 1.00 0.00 C ATOM 555 O GLY A 34 9.366 -9.441 7.396 1.00 0.00 O ATOM 0 H GLY A 34 11.087 -6.197 6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.495 -6.359 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.289 -6.998 5.789 1.00 0.00 H new ATOM 559 N LYS A 35 7.290 -8.575 7.133 1.00 0.00 N ATOM 560 CA LYS A 35 6.565 -9.824 7.389 1.00 0.00 C ATOM 561 C LYS A 35 6.064 -9.898 8.831 1.00 0.00 C ATOM 562 O LYS A 35 5.523 -10.918 9.260 1.00 0.00 O ATOM 563 CB LYS A 35 7.420 -11.046 7.064 1.00 0.00 C ATOM 564 CG LYS A 35 6.613 -12.292 6.742 1.00 0.00 C ATOM 565 CD LYS A 35 6.030 -12.234 5.341 1.00 0.00 C ATOM 566 CE LYS A 35 7.029 -12.738 4.303 1.00 0.00 C ATOM 567 NZ LYS A 35 6.990 -14.222 4.176 1.00 0.00 N ATOM 0 H LYS A 35 6.682 -7.781 6.932 1.00 0.00 H new ATOM 0 HA LYS A 35 5.699 -9.827 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.063 -10.812 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.073 -11.256 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.249 -13.172 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.807 -12.402 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.122 -12.836 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.744 -11.209 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.810 -12.284 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.034 -12.423 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.682 -14.528 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.224 -14.655 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.037 -14.521 3.885 1.00 0.00 H new ATOM 581 N CYS A 36 6.241 -8.810 9.582 1.00 0.00 N ATOM 582 CA CYS A 36 5.808 -8.761 10.969 1.00 0.00 C ATOM 583 C CYS A 36 4.504 -7.973 11.107 1.00 0.00 C ATOM 584 O CYS A 36 3.421 -8.506 10.884 1.00 0.00 O ATOM 585 CB CYS A 36 6.912 -8.172 11.877 1.00 0.00 C ATOM 586 SG CYS A 36 8.244 -7.277 10.997 1.00 0.00 S ATOM 0 H CYS A 36 6.682 -7.953 9.248 1.00 0.00 H new ATOM 0 HA CYS A 36 5.619 -9.783 11.297 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.449 -7.492 12.592 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.359 -8.983 12.452 1.00 0.00 H new ATOM 591 N SER A 37 4.612 -6.699 11.462 1.00 0.00 N ATOM 592 CA SER A 37 3.438 -5.853 11.603 1.00 0.00 C ATOM 593 C SER A 37 2.822 -5.546 10.240 1.00 0.00 C ATOM 594 O SER A 37 1.618 -5.337 10.127 1.00 0.00 O ATOM 595 CB SER A 37 3.797 -4.549 12.318 1.00 0.00 C ATOM 596 OG SER A 37 2.716 -4.070 13.092 1.00 0.00 O ATOM 0 H SER A 37 5.498 -6.232 11.656 1.00 0.00 H new ATOM 0 HA SER A 37 2.705 -6.394 12.202 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.663 -4.711 12.960 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.082 -3.796 11.583 1.00 0.00 H new ATOM 0 HG SER A 37 2.977 -3.237 13.538 1.00 0.00 H new ATOM 602 N PRO A 38 3.644 -5.504 9.176 1.00 0.00 N ATOM 603 CA PRO A 38 3.181 -5.211 7.836 1.00 0.00 C ATOM 604 C PRO A 38 2.790 -6.449 7.051 1.00 0.00 C ATOM 605 O PRO A 38 2.743 -6.396 5.821 1.00 0.00 O ATOM 606 CB PRO A 38 4.388 -4.549 7.190 1.00 0.00 C ATOM 607 CG PRO A 38 5.567 -5.179 7.851 1.00 0.00 C ATOM 608 CD PRO A 38 5.099 -5.716 9.181 1.00 0.00 C ATOM 0 HA PRO A 38 2.280 -4.597 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.402 -4.717 6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.377 -3.470 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.971 -5.981 7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.365 -4.450 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.345 -6.772 9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.573 -5.190 10.010 1.00 0.00 H new ATOM 616 N GLU A 39 2.517 -7.567 7.749 1.00 0.00 N ATOM 617 CA GLU A 39 2.118 -8.797 7.059 1.00 0.00 C ATOM 618 C GLU A 39 1.354 -8.458 5.784 1.00 0.00 C ATOM 619 O GLU A 39 1.533 -9.098 4.741 1.00 0.00 O ATOM 620 CB GLU A 39 1.252 -9.661 7.980 1.00 0.00 C ATOM 621 CG GLU A 39 2.047 -10.498 8.960 1.00 0.00 C ATOM 622 CD GLU A 39 2.457 -11.836 8.384 1.00 0.00 C ATOM 623 OE1 GLU A 39 2.990 -11.855 7.251 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.250 -12.870 9.052 1.00 0.00 O ATOM 0 H GLU A 39 2.565 -7.640 8.765 1.00 0.00 H new ATOM 0 HA GLU A 39 3.014 -9.358 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.573 -9.015 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.636 -10.321 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.938 -9.948 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.453 -10.660 9.859 1.00 0.00 H new ATOM 631 N GLY A 40 0.534 -7.409 5.865 1.00 0.00 N ATOM 632 CA GLY A 40 -0.154 -6.938 4.723 1.00 0.00 C ATOM 633 C GLY A 40 -0.781 -8.049 3.921 1.00 0.00 C ATOM 634 O GLY A 40 -0.904 -7.943 2.706 1.00 0.00 O ATOM 0 H GLY A 40 0.348 -6.888 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.930 -6.238 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.539 -6.385 4.089 1.00 0.00 H new ATOM 638 N LYS A 41 -1.171 -9.133 4.599 1.00 0.00 N ATOM 639 CA LYS A 41 -1.780 -10.273 3.930 1.00 0.00 C ATOM 640 C LYS A 41 -2.795 -9.845 2.875 1.00 0.00 C ATOM 641 O LYS A 41 -2.966 -10.511 1.852 1.00 0.00 O ATOM 642 CB LYS A 41 -2.450 -11.199 4.950 1.00 0.00 C ATOM 643 CG LYS A 41 -3.530 -10.515 5.776 1.00 0.00 C ATOM 644 CD LYS A 41 -2.985 -10.029 7.108 1.00 0.00 C ATOM 645 CE LYS A 41 -4.106 -9.807 8.117 1.00 0.00 C ATOM 646 NZ LYS A 41 -5.025 -10.971 8.188 1.00 0.00 N ATOM 0 H LYS A 41 -1.073 -9.239 5.609 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.979 -10.811 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.889 -12.048 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.689 -11.598 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.937 -9.672 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.352 -11.209 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.277 -10.759 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.436 -9.099 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.677 -9.623 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.670 -8.915 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.358 -11.091 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.840 -10.809 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.522 -11.829 7.886 1.00 0.00 H new ATOM 660 N GLU A 42 -3.456 -8.724 3.120 1.00 0.00 N ATOM 661 CA GLU A 42 -4.438 -8.202 2.174 1.00 0.00 C ATOM 662 C GLU A 42 -3.732 -7.633 0.955 1.00 0.00 C ATOM 663 O GLU A 42 -4.118 -7.906 -0.119 1.00 0.00 O ATOM 664 CB GLU A 42 -5.330 -7.133 2.820 1.00 0.00 C ATOM 665 CG GLU A 42 -4.902 -6.711 4.224 1.00 0.00 C ATOM 666 CD GLU A 42 -5.796 -5.634 4.803 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.697 -4.468 4.352 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.601 -5.946 5.710 1.00 0.00 O ATOM 0 H GLU A 42 -3.333 -8.159 3.960 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.081 -9.027 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.342 -6.252 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.352 -7.509 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.914 -7.581 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.874 -6.348 4.194 1.00 0.00 H new ATOM 675 N LEU A 43 -2.684 -6.856 1.200 1.00 0.00 N ATOM 676 CA LEU A 43 -1.915 -6.259 0.126 1.00 0.00 C ATOM 677 C LEU A 43 -1.138 -7.331 -0.562 1.00 0.00 C ATOM 678 O LEU A 43 -0.903 -7.207 -1.753 1.00 0.00 O ATOM 679 CB LEU A 43 -0.954 -5.209 0.674 1.00 0.00 C ATOM 680 CG LEU A 43 -1.577 -4.234 1.682 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.139 -4.567 3.099 1.00 0.00 C ATOM 682 CD2 LEU A 43 -1.223 -2.800 1.326 1.00 0.00 C ATOM 0 H LEU A 43 -2.350 -6.627 2.136 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.595 -5.775 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.116 -5.717 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.548 -4.637 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.661 -4.339 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.593 -3.862 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.456 -5.580 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.053 -4.498 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.674 -2.123 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.140 -2.678 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.601 -2.568 0.330 1.00 0.00 H new ATOM 694 N LYS A 44 -0.749 -8.393 0.075 1.00 0.00 N ATOM 695 CA LYS A 44 -0.044 -9.483 -0.484 1.00 0.00 C ATOM 696 C LYS A 44 -0.977 -10.361 -1.265 1.00 0.00 C ATOM 697 O LYS A 44 -0.653 -10.832 -2.346 1.00 0.00 O ATOM 698 CB LYS A 44 0.627 -10.314 0.509 1.00 0.00 C ATOM 699 CG LYS A 44 1.563 -11.355 -0.038 1.00 0.00 C ATOM 700 CD LYS A 44 1.617 -12.611 0.780 1.00 0.00 C ATOM 701 CE LYS A 44 2.724 -12.523 1.818 1.00 0.00 C ATOM 702 NZ LYS A 44 2.454 -13.396 2.994 1.00 0.00 N ATOM 0 H LYS A 44 -0.934 -8.520 1.070 1.00 0.00 H new ATOM 0 HA LYS A 44 0.718 -9.040 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.188 -9.664 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.132 -10.814 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.258 -11.607 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.565 -10.931 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.659 -12.772 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.788 -13.469 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.672 -12.810 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.829 -11.490 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.232 -13.307 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.562 -13.106 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.379 -14.385 2.682 1.00 0.00 H new ATOM 716 N GLU A 45 -2.171 -10.554 -0.730 1.00 0.00 N ATOM 717 CA GLU A 45 -3.179 -11.354 -1.398 1.00 0.00 C ATOM 718 C GLU A 45 -3.880 -10.514 -2.458 1.00 0.00 C ATOM 719 O GLU A 45 -4.512 -11.055 -3.368 1.00 0.00 O ATOM 720 CB GLU A 45 -4.206 -11.877 -0.398 1.00 0.00 C ATOM 721 CG GLU A 45 -3.666 -12.986 0.432 1.00 0.00 C ATOM 722 CD GLU A 45 -3.932 -14.362 -0.076 1.00 0.00 C ATOM 723 OE1 GLU A 45 -5.008 -14.934 0.166 1.00 0.00 O ATOM 724 OE2 GLU A 45 -3.057 -14.883 -0.786 1.00 0.00 O ATOM 0 H GLU A 45 -2.465 -10.166 0.167 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.688 -12.206 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.526 -11.062 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.089 -12.223 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.588 -12.855 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.084 -12.902 1.435 1.00 0.00 H new ATOM 731 N HIS A 46 -3.768 -9.194 -2.327 1.00 0.00 N ATOM 732 CA HIS A 46 -4.392 -8.275 -3.266 1.00 0.00 C ATOM 733 C HIS A 46 -3.406 -7.783 -4.334 1.00 0.00 C ATOM 734 O HIS A 46 -3.830 -7.305 -5.394 1.00 0.00 O ATOM 735 CB HIS A 46 -4.968 -7.071 -2.511 1.00 0.00 C ATOM 736 CG HIS A 46 -5.641 -6.055 -3.389 1.00 0.00 C ATOM 737 ND1 HIS A 46 -5.155 -4.776 -3.553 1.00 0.00 N ATOM 738 CD2 HIS A 46 -6.757 -6.145 -4.149 1.00 0.00 C ATOM 739 CE1 HIS A 46 -5.962 -4.111 -4.371 1.00 0.00 C ATOM 740 NE2 HIS A 46 -6.931 -4.925 -4.749 1.00 0.00 N ATOM 0 H HIS A 46 -3.249 -8.739 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.190 -8.818 -3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.686 -7.429 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.163 -6.583 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.390 -7.013 -4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.846 -3.081 -4.675 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.689 -4.684 -5.387 1.00 0.00 H new ATOM 749 N LEU A 47 -2.103 -7.886 -4.072 1.00 0.00 N ATOM 750 CA LEU A 47 -1.114 -7.431 -5.039 1.00 0.00 C ATOM 751 C LEU A 47 0.001 -8.409 -5.200 1.00 0.00 C ATOM 752 O LEU A 47 0.104 -9.061 -6.236 1.00 0.00 O ATOM 753 CB LEU A 47 -0.577 -6.044 -4.652 1.00 0.00 C ATOM 754 CG LEU A 47 -1.421 -4.870 -5.147 1.00 0.00 C ATOM 755 CD1 LEU A 47 -0.972 -3.579 -4.480 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.319 -4.746 -6.661 1.00 0.00 C ATOM 0 H LEU A 47 -1.716 -8.274 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.613 -7.353 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.504 -5.988 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.434 -5.938 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.462 -5.055 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.582 -2.751 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.086 -3.669 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.075 -3.391 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.925 -3.906 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.279 -4.580 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.679 -5.664 -7.126 1.00 0.00 H new ATOM 768 N GLN A 48 0.821 -8.496 -4.184 1.00 0.00 N ATOM 769 CA GLN A 48 1.973 -9.390 -4.246 1.00 0.00 C ATOM 770 C GLN A 48 1.588 -10.782 -4.739 1.00 0.00 C ATOM 771 O GLN A 48 2.416 -11.514 -5.278 1.00 0.00 O ATOM 772 CB GLN A 48 2.640 -9.490 -2.869 1.00 0.00 C ATOM 773 CG GLN A 48 3.974 -10.234 -2.887 1.00 0.00 C ATOM 774 CD GLN A 48 5.164 -9.296 -2.805 1.00 0.00 C ATOM 775 OE1 GLN A 48 5.329 -8.656 -1.647 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 5.925 -9.158 -3.755 1.00 0.00 N flip ATOM 0 H GLN A 48 0.725 -7.973 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 48 2.677 -8.967 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.800 -8.485 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.961 -9.995 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.008 -10.933 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.044 -10.826 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.757 -9.670 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.726 -8.532 -3.680 1.00 0.00 H new ATOM 785 N ASP A 49 0.326 -11.140 -4.562 1.00 0.00 N ATOM 786 CA ASP A 49 -0.113 -12.436 -4.989 1.00 0.00 C ATOM 787 C ASP A 49 -0.170 -12.521 -6.511 1.00 0.00 C ATOM 788 O ASP A 49 -0.046 -13.607 -7.089 1.00 0.00 O ATOM 789 CB ASP A 49 -1.491 -12.700 -4.399 1.00 0.00 C ATOM 790 CG ASP A 49 -1.461 -13.777 -3.322 1.00 0.00 C ATOM 791 OD1 ASP A 49 -0.548 -13.745 -2.480 1.00 0.00 O ATOM 792 OD2 ASP A 49 -2.360 -14.642 -3.337 1.00 0.00 O ATOM 0 H ASP A 49 -0.392 -10.556 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 49 0.596 -13.188 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.886 -11.776 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.172 -13.003 -5.194 1.00 0.00 H new ATOM 797 N ALA A 50 -0.356 -11.377 -7.167 1.00 0.00 N ATOM 798 CA ALA A 50 -0.425 -11.336 -8.626 1.00 0.00 C ATOM 799 C ALA A 50 0.665 -12.096 -9.243 1.00 0.00 C ATOM 800 O ALA A 50 0.521 -13.255 -9.648 1.00 0.00 O ATOM 801 CB ALA A 50 -0.447 -9.893 -9.108 1.00 0.00 C ATOM 0 H ALA A 50 -0.461 -10.470 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.353 -11.816 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.498 -9.874 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.318 -9.385 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.460 -9.386 -8.779 1.00 0.00 H new ATOM 807 N ILE A 51 1.815 -11.447 -9.312 1.00 0.00 N ATOM 808 CA ILE A 51 3.034 -12.035 -9.881 1.00 0.00 C ATOM 809 C ILE A 51 4.064 -10.952 -10.163 1.00 0.00 C ATOM 810 O ILE A 51 5.244 -11.093 -9.827 1.00 0.00 O ATOM 811 CB ILE A 51 2.744 -12.814 -11.184 1.00 0.00 C ATOM 812 CG1 ILE A 51 4.010 -13.519 -11.686 1.00 0.00 C ATOM 813 CG2 ILE A 51 2.166 -11.893 -12.254 1.00 0.00 C ATOM 814 CD1 ILE A 51 4.999 -12.610 -12.400 1.00 0.00 C ATOM 0 H ILE A 51 1.939 -10.492 -8.975 1.00 0.00 H new ATOM 0 HA ILE A 51 3.426 -12.735 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 51 1.997 -13.577 -10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.512 -13.985 -10.838 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.719 -14.321 -12.364 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.971 -12.466 -13.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.235 -11.456 -11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.879 -11.098 -12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.863 -13.192 -12.720 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.519 -12.163 -13.271 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.324 -11.822 -11.721 1.00 0.00 H new ATOM 940 N GLU A 60 -10.100 -1.273 -10.631 1.00 0.00 N ATOM 941 CA GLU A 60 -11.429 -0.738 -10.637 1.00 0.00 C ATOM 942 C GLU A 60 -11.925 -0.557 -9.224 1.00 0.00 C ATOM 943 O GLU A 60 -11.743 -1.426 -8.378 1.00 0.00 O ATOM 944 CB GLU A 60 -12.384 -1.623 -11.435 1.00 0.00 C ATOM 945 CG GLU A 60 -13.718 -0.964 -11.746 1.00 0.00 C ATOM 946 CD GLU A 60 -14.489 -1.684 -12.835 1.00 0.00 C ATOM 947 OE1 GLU A 60 -14.788 -2.883 -12.657 1.00 0.00 O ATOM 948 OE2 GLU A 60 -14.796 -1.042 -13.863 1.00 0.00 O ATOM 0 HA GLU A 60 -11.398 0.236 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.903 -1.908 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.565 -2.542 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.322 -0.932 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.546 0.068 -12.051 1.00 0.00 H new ATOM 955 N ASN A 61 -12.509 0.512 -8.978 1.00 0.00 N ATOM 956 CA ASN A 61 -13.028 0.840 -7.657 1.00 0.00 C ATOM 957 C ASN A 61 -11.957 0.586 -6.609 1.00 0.00 C ATOM 958 O ASN A 61 -11.376 1.523 -6.062 1.00 0.00 O ATOM 959 CB ASN A 61 -14.280 0.047 -7.339 1.00 0.00 C ATOM 960 CG ASN A 61 -15.496 0.900 -7.118 1.00 0.00 C ATOM 961 OD1 ASN A 61 -15.530 2.056 -7.540 1.00 0.00 O ATOM 962 ND2 ASN A 61 -16.514 0.347 -6.469 1.00 0.00 N ATOM 0 H ASN A 61 -12.669 1.238 -9.677 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.299 1.896 -7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.477 -0.646 -8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.102 -0.554 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.365 0.884 -6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.445 -0.615 -6.136 1.00 0.00 H new ATOM 969 N GLN A 62 -11.648 -0.609 -6.389 1.00 0.00 N ATOM 970 CA GLN A 62 -10.595 -0.959 -5.461 1.00 0.00 C ATOM 971 C GLN A 62 -9.319 -0.285 -5.935 1.00 0.00 C ATOM 972 O GLN A 62 -8.431 0.004 -5.135 1.00 0.00 O ATOM 973 CB GLN A 62 -10.404 -2.481 -5.369 1.00 0.00 C ATOM 974 CG GLN A 62 -10.544 -3.201 -6.699 1.00 0.00 C ATOM 975 CD GLN A 62 -10.179 -4.674 -6.596 1.00 0.00 C ATOM 976 OE1 GLN A 62 -9.220 -5.040 -5.925 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.950 -5.517 -7.275 1.00 0.00 N ATOM 0 H GLN A 62 -12.101 -1.407 -6.834 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.860 -0.618 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.417 -2.689 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.134 -2.887 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.570 -3.107 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.904 -2.721 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.737 -5.163 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.755 -6.518 -7.252 1.00 0.00 H new ATOM 986 N GLU A 63 -9.255 -0.033 -7.241 1.00 0.00 N ATOM 987 CA GLU A 63 -8.107 0.590 -7.812 1.00 0.00 C ATOM 988 C GLU A 63 -8.006 1.986 -7.211 1.00 0.00 C ATOM 989 O GLU A 63 -6.919 2.455 -6.871 1.00 0.00 O ATOM 990 CB GLU A 63 -8.238 0.682 -9.326 1.00 0.00 C ATOM 991 CG GLU A 63 -7.140 1.500 -9.987 1.00 0.00 C ATOM 992 CD GLU A 63 -7.597 2.895 -10.370 1.00 0.00 C ATOM 993 OE1 GLU A 63 -8.127 3.606 -9.493 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.429 3.269 -11.548 1.00 0.00 O ATOM 0 H GLU A 63 -9.994 -0.258 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.213 0.005 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.230 -0.325 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.204 1.122 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.290 1.574 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.792 0.979 -10.879 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.158 2.643 -7.077 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.220 3.972 -6.517 1.00 0.00 C ATOM 1003 C LYS A 64 -8.804 3.963 -5.059 1.00 0.00 C ATOM 1004 O LYS A 64 -7.961 4.748 -4.627 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.628 4.553 -6.666 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.197 4.419 -8.073 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.239 5.488 -8.346 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.486 5.277 -7.521 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.719 5.635 -8.265 1.00 0.00 N ATOM 0 H LYS A 64 -10.063 2.263 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.523 4.604 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.295 4.052 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.608 5.607 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.391 4.497 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.643 3.432 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.819 6.470 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.498 5.482 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.541 4.234 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.425 5.877 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.549 5.474 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.680 6.637 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.793 5.045 -9.118 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.410 3.059 -4.283 1.00 0.00 N ATOM 1024 CA GLY A 65 -9.073 2.959 -2.874 1.00 0.00 C ATOM 1025 C GLY A 65 -7.596 2.759 -2.657 1.00 0.00 C ATOM 1026 O GLY A 65 -7.007 3.340 -1.749 1.00 0.00 O ATOM 0 H GLY A 65 -10.121 2.402 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.395 3.864 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.620 2.128 -2.429 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.983 1.951 -3.512 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.555 1.694 -3.421 1.00 0.00 C ATOM 1032 C ALA A 66 -4.765 2.968 -3.694 1.00 0.00 C ATOM 1033 O ALA A 66 -4.069 3.473 -2.819 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.138 0.586 -4.371 1.00 0.00 C ATOM 0 H ALA A 66 -7.453 1.464 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.334 1.363 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.065 0.415 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.674 -0.329 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.375 0.876 -5.395 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.888 3.496 -4.917 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.179 4.721 -5.267 1.00 0.00 C ATOM 1042 C TYR A 67 -4.407 5.775 -4.191 1.00 0.00 C ATOM 1043 O TYR A 67 -3.464 6.372 -3.670 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.638 5.246 -6.634 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.562 6.014 -7.385 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.680 6.863 -6.710 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.430 5.894 -8.763 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.708 7.556 -7.394 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.462 6.596 -9.452 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.601 7.418 -8.763 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.634 8.119 -9.448 1.00 0.00 O ATOM 0 H TYR A 67 -5.460 3.101 -5.663 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.113 4.500 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.966 4.405 -7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.503 5.894 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.763 6.976 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.097 5.240 -9.305 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.030 8.206 -6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.381 6.501 -10.525 1.00 0.00 H new ATOM 0 HH TYR A 67 0.176 7.572 -9.522 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.675 5.978 -3.837 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.023 6.939 -2.798 1.00 0.00 C ATOM 1063 C ARG A 68 -5.168 6.691 -1.564 1.00 0.00 C ATOM 1064 O ARG A 68 -4.700 7.628 -0.910 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.507 6.817 -2.444 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.109 8.109 -1.910 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.538 7.905 -1.438 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.062 9.088 -0.760 1.00 0.00 N ATOM 1069 CZ ARG A 68 -11.365 9.312 -0.565 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -12.269 8.432 -0.987 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.760 10.411 0.004 1.00 0.00 N ATOM 0 H ARG A 68 -6.471 5.493 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.834 7.947 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.060 6.506 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.632 6.031 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.502 8.480 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.088 8.871 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.172 7.666 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.579 7.051 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.397 9.781 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.969 7.581 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.262 8.608 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.075 11.105 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.755 10.580 0.152 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.962 5.416 -1.242 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.156 5.051 -0.103 1.00 0.00 C ATOM 1087 C VAL A 69 -2.683 5.345 -0.346 1.00 0.00 C ATOM 1088 O VAL A 69 -1.941 5.666 0.503 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.326 3.565 0.182 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.356 3.143 1.268 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.765 3.292 0.605 1.00 0.00 C ATOM 0 H VAL A 69 -5.346 4.626 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.489 5.643 0.749 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.112 2.987 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.478 2.079 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.335 3.334 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.557 3.712 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.889 2.229 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.995 3.863 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.442 3.589 -0.196 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.257 5.255 -1.601 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.864 5.534 -1.934 1.00 0.00 C ATOM 1103 C ILE A 70 -0.582 7.019 -1.877 1.00 0.00 C ATOM 1104 O ILE A 70 0.422 7.442 -1.480 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.453 4.957 -3.312 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.973 4.734 -3.338 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.874 5.859 -4.464 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.375 3.278 -3.397 1.00 0.00 C ATOM 0 H ILE A 70 -2.845 4.995 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.257 5.030 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.975 4.009 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.394 5.250 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.416 5.185 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.564 5.412 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.958 5.977 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.402 6.835 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.462 3.201 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.988 2.758 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.966 2.824 -4.299 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.572 7.824 -2.269 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.444 9.264 -2.246 1.00 0.00 C ATOM 1122 C GLU A 71 -1.530 9.771 -0.817 1.00 0.00 C ATOM 1123 O GLU A 71 -0.875 10.742 -0.448 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.523 9.917 -3.101 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.929 9.480 -2.732 1.00 0.00 C ATOM 1126 CD GLU A 71 -4.999 10.259 -3.479 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.147 10.030 -4.701 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.685 11.089 -2.849 1.00 0.00 O ATOM 0 H GLU A 71 -2.474 7.489 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.472 9.530 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.449 11.000 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.340 9.679 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.043 8.417 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.075 9.607 -1.659 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.339 9.089 -0.015 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.500 9.474 1.301 1.00 0.00 C ATOM 1137 C HIS A 72 -1.221 9.181 2.069 1.00 0.00 C ATOM 1138 O HIS A 72 -0.721 10.032 2.809 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.680 8.738 1.935 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.926 9.110 3.356 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.160 9.504 3.834 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.083 9.160 4.412 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.061 9.776 5.129 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.814 9.582 5.501 1.00 0.00 N ATOM 0 H HIS A 72 -2.877 8.269 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.708 10.543 1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.579 8.944 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.501 7.664 1.876 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.031 8.915 4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.868 10.102 5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.448 9.721 6.443 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.678 7.986 1.873 1.00 0.00 N ATOM 1154 CA LEU A 73 0.484 7.612 2.535 1.00 0.00 C ATOM 1155 C LEU A 73 1.643 8.387 1.929 1.00 0.00 C ATOM 1156 O LEU A 73 2.622 8.701 2.606 1.00 0.00 O ATOM 1157 CB LEU A 73 0.709 6.104 2.400 1.00 0.00 C ATOM 1158 CG LEU A 73 0.228 5.263 3.584 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.157 5.561 3.884 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.422 3.781 3.299 1.00 0.00 C ATOM 0 H LEU A 73 -1.058 7.278 1.245 1.00 0.00 H new ATOM 0 HA LEU A 73 0.404 7.839 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.203 5.757 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.774 5.924 2.256 1.00 0.00 H new ATOM 0 HG LEU A 73 0.825 5.517 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.485 4.955 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.256 6.617 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.774 5.336 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.074 3.198 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.149 3.503 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.479 3.579 3.128 1.00 0.00 H new ATOM 1172 N ILE A 74 1.525 8.702 0.638 1.00 0.00 N ATOM 1173 CA ILE A 74 2.544 9.447 0.000 1.00 0.00 C ATOM 1174 C ILE A 74 2.859 10.744 0.647 1.00 0.00 C ATOM 1175 O ILE A 74 4.021 11.071 0.889 1.00 0.00 O ATOM 1176 CB ILE A 74 2.118 9.717 -1.459 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.887 8.796 -2.416 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.334 11.174 -1.847 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.028 8.256 -3.546 1.00 0.00 C ATOM 0 H ILE A 74 0.736 8.445 0.044 1.00 0.00 H new ATOM 0 HA ILE A 74 3.449 8.844 0.067 1.00 0.00 H new ATOM 0 HB ILE A 74 1.051 9.506 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.729 9.344 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.301 7.960 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.023 11.325 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.744 11.816 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.390 11.425 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.631 7.612 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.200 7.681 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.635 9.086 -4.133 1.00 0.00 H new ATOM 1191 N LYS A 75 1.815 11.490 1.004 1.00 0.00 N ATOM 1192 CA LYS A 75 1.987 12.742 1.699 1.00 0.00 C ATOM 1193 C LYS A 75 2.184 12.508 3.194 1.00 0.00 C ATOM 1194 O LYS A 75 2.912 13.246 3.855 1.00 0.00 O ATOM 1195 CB LYS A 75 0.772 13.630 1.456 1.00 0.00 C ATOM 1196 CG LYS A 75 0.322 13.675 0.037 1.00 0.00 C ATOM 1197 CD LYS A 75 1.340 14.383 -0.787 1.00 0.00 C ATOM 1198 CE LYS A 75 1.459 15.849 -0.415 1.00 0.00 C ATOM 1199 NZ LYS A 75 2.254 16.608 -1.420 1.00 0.00 N ATOM 0 H LYS A 75 0.844 11.239 0.818 1.00 0.00 H new ATOM 0 HA LYS A 75 2.878 13.239 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.052 13.276 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.005 14.643 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.174 12.663 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.638 14.186 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.308 13.898 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.075 14.298 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.464 16.286 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.929 15.939 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.714 17.419 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.979 15.986 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.625 16.950 -2.174 1.00 0.00 H new ATOM 1213 N ASN A 76 1.538 11.464 3.715 1.00 0.00 N ATOM 1214 CA ASN A 76 1.670 11.131 5.126 1.00 0.00 C ATOM 1215 C ASN A 76 3.136 11.075 5.511 1.00 0.00 C ATOM 1216 O ASN A 76 3.548 11.616 6.541 1.00 0.00 O ATOM 1217 CB ASN A 76 0.999 9.793 5.430 1.00 0.00 C ATOM 1218 CG ASN A 76 0.224 9.813 6.732 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.757 9.018 6.810 1.00 0.00 O flip ATOM 1220 ND2 ASN A 76 0.574 10.543 7.660 1.00 0.00 N flip ATOM 0 H ASN A 76 0.926 10.843 3.185 1.00 0.00 H new ATOM 0 HA ASN A 76 1.175 11.906 5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.324 9.535 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.758 9.012 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.373 11.166 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.065 10.524 8.544 1.00 0.00 H new ATOM 1227 N GLU A 77 3.937 10.428 4.661 1.00 0.00 N ATOM 1228 CA GLU A 77 5.375 10.322 4.892 1.00 0.00 C ATOM 1229 C GLU A 77 6.069 9.550 3.785 1.00 0.00 C ATOM 1230 O GLU A 77 7.100 8.917 4.012 1.00 0.00 O ATOM 1231 CB GLU A 77 5.658 9.675 6.251 1.00 0.00 C ATOM 1232 CG GLU A 77 5.934 10.675 7.363 1.00 0.00 C ATOM 1233 CD GLU A 77 5.017 10.495 8.561 1.00 0.00 C ATOM 1234 OE1 GLU A 77 4.982 9.377 9.112 1.00 0.00 O ATOM 1235 OE2 GLU A 77 4.336 11.468 8.938 1.00 0.00 O ATOM 0 H GLU A 77 3.613 9.971 3.809 1.00 0.00 H new ATOM 0 HA GLU A 77 5.779 11.334 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.805 9.058 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.515 9.008 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.970 10.574 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.819 11.686 6.972 1.00 0.00 H new ATOM 1242 N ILE A 78 5.496 9.630 2.590 1.00 0.00 N ATOM 1243 CA ILE A 78 6.024 8.959 1.397 1.00 0.00 C ATOM 1244 C ILE A 78 6.894 7.766 1.739 1.00 0.00 C ATOM 1245 O ILE A 78 7.909 7.505 1.095 1.00 0.00 O ATOM 1246 CB ILE A 78 6.810 9.936 0.507 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.272 9.247 -0.692 1.00 0.00 C ATOM 1248 CG2 ILE A 78 7.993 10.518 1.268 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.283 10.157 -1.894 1.00 0.00 C ATOM 0 H ILE A 78 4.645 10.165 2.415 1.00 0.00 H new ATOM 0 HA ILE A 78 5.157 8.594 0.847 1.00 0.00 H new ATOM 0 HB ILE A 78 6.152 10.755 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.276 8.857 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.627 8.391 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.537 11.207 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.633 11.052 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.657 9.712 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.634 9.604 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.274 10.526 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.949 10.999 -1.707 1.00 0.00 H new ATOM 1261 N GLU A 79 6.477 7.015 2.748 1.00 0.00 N ATOM 1262 CA GLU A 79 7.201 5.837 3.151 1.00 0.00 C ATOM 1263 C GLU A 79 6.860 4.687 2.218 1.00 0.00 C ATOM 1264 O GLU A 79 7.495 3.636 2.236 1.00 0.00 O ATOM 1265 CB GLU A 79 6.878 5.469 4.601 1.00 0.00 C ATOM 1266 CG GLU A 79 6.950 6.646 5.557 1.00 0.00 C ATOM 1267 CD GLU A 79 7.088 6.215 7.004 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.889 5.014 7.294 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.398 7.080 7.849 1.00 0.00 O ATOM 0 H GLU A 79 5.640 7.208 3.298 1.00 0.00 H new ATOM 0 HA GLU A 79 8.270 6.041 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.878 5.038 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.572 4.698 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.797 7.277 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.052 7.254 5.447 1.00 0.00 H new ATOM 1276 N ILE A 80 5.840 4.924 1.389 1.00 0.00 N ATOM 1277 CA ILE A 80 5.382 3.933 0.427 1.00 0.00 C ATOM 1278 C ILE A 80 6.550 3.410 -0.330 1.00 0.00 C ATOM 1279 O ILE A 80 6.858 2.223 -0.309 1.00 0.00 O ATOM 1280 CB ILE A 80 4.316 4.520 -0.439 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.070 4.920 0.267 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.943 3.536 -1.541 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.447 6.201 -0.155 1.00 0.00 C ATOM 0 H ILE A 80 5.317 5.800 1.369 1.00 0.00 H new ATOM 0 HA ILE A 80 4.926 3.081 0.932 1.00 0.00 H new ATOM 0 HB ILE A 80 4.755 5.436 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.335 4.125 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.288 4.982 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.165 3.971 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.822 3.320 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.575 2.612 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.547 6.379 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.152 7.018 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.184 6.147 -1.212 1.00 0.00 H new ATOM 1295 N TRP A 81 7.184 4.307 -1.080 1.00 0.00 N ATOM 1296 CA TRP A 81 8.304 3.936 -1.933 1.00 0.00 C ATOM 1297 C TRP A 81 9.287 3.040 -1.186 1.00 0.00 C ATOM 1298 O TRP A 81 9.759 2.040 -1.727 1.00 0.00 O ATOM 1299 CB TRP A 81 9.013 5.190 -2.450 1.00 0.00 C ATOM 1300 CG TRP A 81 8.084 6.194 -3.068 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.338 7.513 -3.296 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.750 5.960 -3.537 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.245 8.118 -3.875 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.262 7.180 -4.030 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.916 4.833 -3.591 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.968 7.308 -4.560 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.650 4.960 -4.115 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.190 6.198 -4.595 1.00 0.00 C ATOM 0 H TRP A 81 6.939 5.297 -1.113 1.00 0.00 H new ATOM 0 HA TRP A 81 7.914 3.375 -2.783 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.547 5.661 -1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.760 4.897 -3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.265 8.013 -3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.180 9.100 -4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.263 3.878 -3.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.605 8.257 -4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.002 4.097 -4.158 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.192 6.267 -5.002 1.00 0.00 H new ATOM 1319 N ARG A 82 9.561 3.385 0.002 1.00 0.00 N ATOM 1320 CA ARG A 82 10.460 2.579 0.795 1.00 0.00 C ATOM 1321 C ARG A 82 9.844 1.203 1.027 1.00 0.00 C ATOM 1322 O ARG A 82 10.533 0.179 1.007 1.00 0.00 O ATOM 1323 CB ARG A 82 10.727 3.267 2.138 1.00 0.00 C ATOM 1324 CG ARG A 82 12.142 3.818 2.263 1.00 0.00 C ATOM 1325 CD ARG A 82 12.657 3.709 3.689 1.00 0.00 C ATOM 1326 NE ARG A 82 14.107 3.554 3.740 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.791 3.380 4.871 1.00 0.00 C ATOM 1328 NH1 ARG A 82 14.166 3.338 6.042 1.00 0.00 N ATOM 1329 NH2 ARG A 82 16.116 3.247 4.832 1.00 0.00 N ATOM 0 H ARG A 82 9.191 4.213 0.469 1.00 0.00 H new ATOM 0 HA ARG A 82 11.404 2.463 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.015 4.082 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.549 2.555 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.806 3.273 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.157 4.861 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.369 4.600 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.185 2.858 4.180 1.00 0.00 H new ATOM 0 HE ARG A 82 14.626 3.580 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.152 3.439 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.700 3.204 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.606 3.278 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.641 3.114 5.696 1.00 0.00 H new ATOM 1343 N GLU A 83 8.537 1.187 1.236 1.00 0.00 N ATOM 1344 CA GLU A 83 7.790 0.001 1.462 1.00 0.00 C ATOM 1345 C GLU A 83 7.701 -0.786 0.191 1.00 0.00 C ATOM 1346 O GLU A 83 7.643 -2.010 0.246 1.00 0.00 O ATOM 1347 CB GLU A 83 6.383 0.305 1.954 1.00 0.00 C ATOM 1348 CG GLU A 83 5.891 -0.538 3.048 1.00 0.00 C ATOM 1349 CD GLU A 83 4.829 -1.499 2.547 1.00 0.00 C ATOM 1350 OE1 GLU A 83 5.201 -2.538 1.967 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.626 -1.213 2.742 1.00 0.00 O ATOM 0 H GLU A 83 7.968 2.033 1.250 1.00 0.00 H new ATOM 0 HA GLU A 83 8.306 -0.573 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.349 1.345 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.697 0.212 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.719 -1.098 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.478 0.088 3.839 1.00 0.00 H new ATOM 1358 N LEU A 84 7.690 -0.106 -0.858 1.00 0.00 N ATOM 1359 CA LEU A 84 7.604 -0.770 -2.148 1.00 0.00 C ATOM 1360 C LEU A 84 8.946 -1.356 -2.544 1.00 0.00 C ATOM 1361 O LEU A 84 9.018 -2.387 -3.212 1.00 0.00 O ATOM 1362 CB LEU A 84 7.089 0.130 -3.204 1.00 0.00 C ATOM 1363 CG LEU A 84 5.573 0.284 -3.257 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.939 -0.779 -4.038 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.987 0.348 -1.848 1.00 0.00 C ATOM 0 H LEU A 84 7.738 0.912 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 84 6.888 -1.585 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.532 1.116 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.433 -0.239 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 84 5.360 1.225 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.859 -0.629 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.318 -0.756 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.166 -1.746 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.904 0.458 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.229 -0.569 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.409 1.201 -1.317 1.00 0.00 H new ATOM 1377 N THR A 85 10.023 -0.709 -2.117 1.00 0.00 N ATOM 1378 CA THR A 85 11.362 -1.198 -2.421 1.00 0.00 C ATOM 1379 C THR A 85 11.615 -2.505 -1.676 1.00 0.00 C ATOM 1380 O THR A 85 12.357 -3.368 -2.154 1.00 0.00 O ATOM 1381 CB THR A 85 12.424 -0.149 -2.067 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.650 -0.453 -2.686 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.687 -0.043 -0.575 1.00 0.00 C ATOM 0 H THR A 85 9.997 0.148 -1.564 1.00 0.00 H new ATOM 0 HA THR A 85 11.432 -1.386 -3.492 1.00 0.00 H new ATOM 0 HB THR A 85 12.021 0.799 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.314 0.228 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.448 0.716 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.766 0.235 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.036 -1.004 -0.198 1.00 0.00 H new ATOM 1391 N ALA A 86 10.984 -2.654 -0.526 1.00 0.00 N ATOM 1392 CA ALA A 86 11.139 -3.856 0.205 1.00 0.00 C ATOM 1393 C ALA A 86 10.078 -4.899 -0.105 1.00 0.00 C ATOM 1394 O ALA A 86 10.331 -6.102 -0.053 1.00 0.00 O ATOM 1395 CB ALA A 86 11.053 -3.520 1.682 1.00 0.00 C ATOM 0 H ALA A 86 10.373 -1.958 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 86 12.101 -4.284 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.170 -4.431 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.844 -2.817 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.083 -3.071 1.897 1.00 0.00 H new ATOM 1401 N LYS A 87 8.897 -4.419 -0.479 1.00 0.00 N ATOM 1402 CA LYS A 87 7.801 -5.295 -0.856 1.00 0.00 C ATOM 1403 C LYS A 87 7.221 -4.855 -2.187 1.00 0.00 C ATOM 1404 O LYS A 87 7.084 -3.660 -2.456 1.00 0.00 O ATOM 1405 CB LYS A 87 6.709 -5.285 0.146 1.00 0.00 C ATOM 1406 CG LYS A 87 7.074 -6.091 1.379 1.00 0.00 C ATOM 1407 CD LYS A 87 6.459 -7.479 1.341 1.00 0.00 C ATOM 1408 CE LYS A 87 7.413 -8.530 1.888 1.00 0.00 C ATOM 1409 NZ LYS A 87 6.913 -9.914 1.647 1.00 0.00 N ATOM 0 H LYS A 87 8.677 -3.424 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 87 8.210 -6.303 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.489 -4.257 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.802 -5.692 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.158 -6.175 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.734 -5.566 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.538 -7.485 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.190 -7.730 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.391 -8.411 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.550 -8.375 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.591 -10.601 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.992 -10.036 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.807 -10.072 0.625 1.00 0.00 H new ATOM 1423 N TYR A 88 6.885 -5.823 -3.035 1.00 0.00 N ATOM 1424 CA TYR A 88 6.330 -5.533 -4.360 1.00 0.00 C ATOM 1425 C TYR A 88 7.411 -5.018 -5.314 1.00 0.00 C ATOM 1426 O TYR A 88 7.115 -4.637 -6.444 1.00 0.00 O ATOM 1427 CB TYR A 88 5.200 -4.506 -4.255 1.00 0.00 C ATOM 1428 CG TYR A 88 4.266 -4.746 -3.094 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.354 -5.798 -3.104 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.288 -3.917 -1.980 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.501 -6.013 -2.041 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.434 -4.131 -0.918 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.549 -5.181 -0.953 1.00 0.00 C ATOM 1434 OH TYR A 88 1.695 -5.399 0.040 1.00 0.00 O ATOM 0 H TYR A 88 6.986 -6.817 -2.831 1.00 0.00 H new ATOM 0 HA TYR A 88 5.931 -6.464 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.634 -3.510 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.625 -4.517 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.314 -6.457 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.984 -3.092 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.799 -6.833 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.461 -3.474 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 88 1.840 -4.736 0.747 1.00 0.00 H new ATOM 1444 N ASP A 89 8.668 -5.013 -4.855 1.00 0.00 N ATOM 1445 CA ASP A 89 9.772 -4.558 -5.678 1.00 0.00 C ATOM 1446 C ASP A 89 9.827 -5.315 -7.002 1.00 0.00 C ATOM 1447 O ASP A 89 9.814 -4.714 -8.078 1.00 0.00 O ATOM 1448 CB ASP A 89 11.097 -4.722 -4.927 1.00 0.00 C ATOM 1449 CG ASP A 89 12.064 -3.583 -5.198 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.597 -2.482 -5.560 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.284 -3.796 -5.044 1.00 0.00 O ATOM 0 H ASP A 89 8.936 -5.320 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 89 9.611 -3.502 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.899 -4.780 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.561 -5.665 -5.217 1.00 0.00 H new ATOM 1456 N PRO A 90 9.895 -6.663 -6.945 1.00 0.00 N ATOM 1457 CA PRO A 90 9.955 -7.503 -8.150 1.00 0.00 C ATOM 1458 C PRO A 90 8.977 -7.051 -9.229 1.00 0.00 C ATOM 1459 O PRO A 90 9.286 -7.124 -10.421 1.00 0.00 O ATOM 1460 CB PRO A 90 9.580 -8.905 -7.633 1.00 0.00 C ATOM 1461 CG PRO A 90 9.257 -8.752 -6.185 1.00 0.00 C ATOM 1462 CD PRO A 90 9.920 -7.480 -5.733 1.00 0.00 C ATOM 0 HA PRO A 90 10.935 -7.458 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.726 -9.304 -8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.405 -9.604 -7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.179 -8.704 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.623 -9.605 -5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.377 -7.008 -4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.937 -7.655 -5.382 1.00 0.00 H new ATOM 1470 N THR A 91 7.799 -6.587 -8.821 1.00 0.00 N ATOM 1471 CA THR A 91 6.795 -6.125 -9.778 1.00 0.00 C ATOM 1472 C THR A 91 7.358 -5.006 -10.652 1.00 0.00 C ATOM 1473 O THR A 91 7.564 -5.194 -11.856 1.00 0.00 O ATOM 1474 CB THR A 91 5.537 -5.651 -9.042 1.00 0.00 C ATOM 1475 OG1 THR A 91 5.740 -4.375 -8.458 1.00 0.00 O ATOM 1476 CG2 THR A 91 5.090 -6.590 -7.947 1.00 0.00 C ATOM 0 H THR A 91 7.517 -6.521 -7.843 1.00 0.00 H new ATOM 0 HA THR A 91 6.525 -6.960 -10.425 1.00 0.00 H new ATOM 0 HB THR A 91 4.760 -5.615 -9.806 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.288 -4.468 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.195 -6.192 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.869 -7.568 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.883 -6.689 -7.206 1.00 0.00 H new ATOM 1484 N GLY A 92 7.608 -3.851 -10.045 1.00 0.00 N ATOM 1485 CA GLY A 92 8.152 -2.725 -10.777 1.00 0.00 C ATOM 1486 C GLY A 92 7.386 -2.425 -12.059 1.00 0.00 C ATOM 1487 O GLY A 92 7.935 -2.537 -13.155 1.00 0.00 O ATOM 0 H GLY A 92 7.442 -3.675 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.140 -1.842 -10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.195 -2.927 -11.022 1.00 0.00 H new ATOM 1491 N ASN A 93 6.125 -2.033 -11.910 1.00 0.00 N ATOM 1492 CA ASN A 93 5.295 -1.714 -13.064 1.00 0.00 C ATOM 1493 C ASN A 93 4.143 -0.792 -12.662 1.00 0.00 C ATOM 1494 O ASN A 93 3.842 0.111 -13.351 1.00 0.00 O ATOM 1495 CB ASN A 93 4.745 -2.998 -13.698 1.00 0.00 C ATOM 1496 CG ASN A 93 4.677 -2.910 -15.210 1.00 0.00 C ATOM 1497 OD1 ASN A 93 5.702 -2.743 -15.874 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.472 -3.021 -15.757 1.00 0.00 N ATOM 0 H ASN A 93 5.659 -1.929 -11.009 1.00 0.00 H new ATOM 0 HA ASN A 93 5.914 -1.197 -13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.376 -3.840 -13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.749 -3.198 -13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.365 -2.969 -16.770 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.653 -3.158 -15.164 1.00 0.00 H new ATOM 1505 N TRP A 94 3.512 -1.107 -11.543 1.00 0.00 N ATOM 1506 CA TRP A 94 2.395 -0.304 -11.044 1.00 0.00 C ATOM 1507 C TRP A 94 2.917 0.800 -10.245 1.00 0.00 C ATOM 1508 O TRP A 94 2.341 1.884 -10.272 1.00 0.00 O ATOM 1509 CB TRP A 94 1.474 -1.164 -10.177 1.00 0.00 C ATOM 1510 CG TRP A 94 1.301 -2.557 -10.689 1.00 0.00 C ATOM 1511 CD1 TRP A 94 2.041 -3.651 -10.342 1.00 0.00 C ATOM 1512 CD2 TRP A 94 0.340 -3.005 -11.650 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.588 -4.759 -11.024 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.557 -4.386 -11.834 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -0.597 -2.380 -12.365 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -0.154 -5.149 -12.706 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -1.367 -3.135 -13.235 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -1.137 -4.504 -13.401 1.00 0.00 C ATOM 0 H TRP A 94 3.749 -1.910 -10.960 1.00 0.00 H new ATOM 0 HA TRP A 94 1.827 0.084 -11.890 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.876 -1.205 -9.165 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.497 -0.685 -10.113 1.00 0.00 H new ATOM 0 HD1 TRP A 94 2.860 -3.648 -9.638 1.00 0.00 H new ATOM 0 HE1 TRP A 94 1.963 -5.704 -10.937 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.751 -1.315 -12.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.046 -6.202 -12.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.158 -2.658 -13.794 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.749 -5.063 -14.093 1.00 0.00 H new ATOM 1529 N ARG A 95 4.007 0.581 -9.519 1.00 0.00 N ATOM 1530 CA ARG A 95 4.620 1.619 -8.700 1.00 0.00 C ATOM 1531 C ARG A 95 4.873 2.885 -9.518 1.00 0.00 C ATOM 1532 O ARG A 95 4.884 3.983 -8.966 1.00 0.00 O ATOM 1533 CB ARG A 95 5.929 1.117 -8.095 1.00 0.00 C ATOM 1534 CG ARG A 95 5.733 0.239 -6.881 1.00 0.00 C ATOM 1535 CD ARG A 95 5.222 -1.061 -7.266 1.00 0.00 C ATOM 1536 NE ARG A 95 3.764 -1.143 -7.203 1.00 0.00 N ATOM 1537 CZ ARG A 95 3.084 -2.283 -7.133 1.00 0.00 C ATOM 1538 NH1 ARG A 95 3.724 -3.448 -7.122 1.00 0.00 N ATOM 1539 NH2 ARG A 95 1.761 -2.265 -7.078 1.00 0.00 N ATOM 0 H ARG A 95 4.489 -0.317 -9.482 1.00 0.00 H new ATOM 0 HA ARG A 95 3.928 1.863 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.480 0.559 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.545 1.973 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.680 0.122 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.040 0.717 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.550 -1.288 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.652 -1.822 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 95 3.235 -0.271 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.743 -3.471 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.196 -4.319 -7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.262 -1.375 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.241 -3.141 -7.024 1.00 0.00 H new ATOM 1553 N LYS A 96 5.077 2.722 -10.816 1.00 0.00 N ATOM 1554 CA LYS A 96 5.325 3.871 -11.687 1.00 0.00 C ATOM 1555 C LYS A 96 4.134 4.827 -11.662 1.00 0.00 C ATOM 1556 O LYS A 96 4.302 6.037 -11.649 1.00 0.00 O ATOM 1557 CB LYS A 96 5.624 3.415 -13.116 1.00 0.00 C ATOM 1558 CG LYS A 96 4.410 2.877 -13.854 1.00 0.00 C ATOM 1559 CD LYS A 96 4.829 2.008 -15.015 1.00 0.00 C ATOM 1560 CE LYS A 96 3.627 1.533 -15.821 1.00 0.00 C ATOM 1561 NZ LYS A 96 3.920 1.502 -17.288 1.00 0.00 N ATOM 0 H LYS A 96 5.077 1.819 -11.290 1.00 0.00 H new ATOM 0 HA LYS A 96 6.200 4.402 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.036 4.254 -13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.392 2.642 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.788 2.301 -13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.802 3.706 -14.216 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.505 2.566 -15.663 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.383 1.146 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.336 0.537 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.780 2.192 -15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.078 1.174 -17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.173 2.457 -17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.712 0.853 -17.470 1.00 0.00 H new ATOM 1575 N LYS A 97 2.932 4.258 -11.649 1.00 0.00 N ATOM 1576 CA LYS A 97 1.722 5.065 -11.610 1.00 0.00 C ATOM 1577 C LYS A 97 1.670 5.839 -10.303 1.00 0.00 C ATOM 1578 O LYS A 97 1.497 7.061 -10.281 1.00 0.00 O ATOM 1579 CB LYS A 97 0.491 4.174 -11.760 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.701 4.783 -11.190 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.911 4.459 -12.059 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.307 5.650 -12.918 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.791 5.767 -13.049 1.00 0.00 N ATOM 0 H LYS A 97 2.773 3.251 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 97 1.732 5.774 -12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.321 3.967 -12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.676 3.217 -11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.860 4.414 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.571 5.863 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.685 3.606 -12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.750 4.169 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.907 6.564 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.861 5.550 -13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.023 6.590 -13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.170 4.905 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.214 5.888 -12.107 1.00 0.00 H new ATOM 1597 N TYR A 98 1.834 5.118 -9.200 1.00 0.00 N ATOM 1598 CA TYR A 98 1.816 5.714 -7.876 1.00 0.00 C ATOM 1599 C TYR A 98 2.992 6.684 -7.715 1.00 0.00 C ATOM 1600 O TYR A 98 2.902 7.655 -6.976 1.00 0.00 O ATOM 1601 CB TYR A 98 1.894 4.631 -6.810 1.00 0.00 C ATOM 1602 CG TYR A 98 0.646 3.772 -6.687 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.516 4.234 -7.095 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.721 2.502 -6.134 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.645 3.449 -6.957 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.320 1.715 -5.990 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.545 2.187 -6.400 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.666 1.411 -6.261 1.00 0.00 O ATOM 0 H TYR A 98 1.982 4.109 -9.201 1.00 0.00 H new ATOM 0 HA TYR A 98 0.882 6.264 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.744 3.985 -7.029 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.092 5.101 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.587 5.218 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.685 2.142 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.605 3.821 -7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.218 0.728 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.422 0.554 -5.854 1.00 0.00 H new ATOM 1618 N GLU A 99 4.092 6.392 -8.406 1.00 0.00 N ATOM 1619 CA GLU A 99 5.281 7.229 -8.334 1.00 0.00 C ATOM 1620 C GLU A 99 5.126 8.459 -9.224 1.00 0.00 C ATOM 1621 O GLU A 99 5.647 9.531 -8.917 1.00 0.00 O ATOM 1622 CB GLU A 99 6.513 6.419 -8.745 1.00 0.00 C ATOM 1623 CG GLU A 99 7.741 7.270 -9.021 1.00 0.00 C ATOM 1624 CD GLU A 99 9.009 6.665 -8.450 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.170 5.432 -8.535 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.845 7.434 -7.913 1.00 0.00 O ATOM 0 H GLU A 99 4.182 5.583 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 99 5.410 7.569 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.747 5.705 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.275 5.840 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.856 7.397 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.593 8.263 -8.597 1.00 0.00 H new ATOM 1633 N ASP A 100 4.389 8.306 -10.322 1.00 0.00 N ATOM 1634 CA ASP A 100 4.157 9.404 -11.249 1.00 0.00 C ATOM 1635 C ASP A 100 3.521 10.595 -10.530 1.00 0.00 C ATOM 1636 O ASP A 100 3.930 11.741 -10.722 1.00 0.00 O ATOM 1637 CB ASP A 100 3.268 8.951 -12.398 1.00 0.00 C ATOM 1638 CG ASP A 100 3.006 10.056 -13.407 1.00 0.00 C ATOM 1639 OD1 ASP A 100 3.986 10.590 -13.959 1.00 0.00 O ATOM 1640 OD2 ASP A 100 1.825 10.374 -13.637 1.00 0.00 O ATOM 0 H ASP A 100 3.942 7.429 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 100 5.120 9.717 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.737 8.107 -12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.318 8.596 -11.999 1.00 0.00 H new ATOM 1645 N ARG A 101 2.528 10.303 -9.695 1.00 0.00 N ATOM 1646 CA ARG A 101 1.837 11.345 -8.947 1.00 0.00 C ATOM 1647 C ARG A 101 2.814 12.146 -8.094 1.00 0.00 C ATOM 1648 O ARG A 101 2.797 13.374 -8.095 1.00 0.00 O ATOM 1649 CB ARG A 101 0.759 10.734 -8.056 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.456 11.511 -8.074 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.096 11.581 -6.703 1.00 0.00 C ATOM 1652 NE ARG A 101 -2.054 12.677 -6.593 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.717 13.964 -6.614 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -0.442 14.320 -6.734 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.655 14.897 -6.510 1.00 0.00 N ATOM 0 H ARG A 101 2.186 9.358 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 101 1.370 12.018 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.546 9.718 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.130 10.663 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.238 12.519 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.159 11.071 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.600 10.638 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.319 11.703 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.042 12.442 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.282 13.606 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.188 15.308 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.634 14.627 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.397 15.884 -6.526 1.00 0.00 H new ATOM 1669 N ALA A 102 3.668 11.432 -7.372 1.00 0.00 N ATOM 1670 CA ALA A 102 4.658 12.061 -6.515 1.00 0.00 C ATOM 1671 C ALA A 102 5.551 13.007 -7.315 1.00 0.00 C ATOM 1672 O ALA A 102 6.242 13.849 -6.741 1.00 0.00 O ATOM 1673 CB ALA A 102 5.500 11.001 -5.817 1.00 0.00 C ATOM 0 H ALA A 102 3.693 10.412 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 102 4.133 12.647 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.238 11.485 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.855 10.366 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.010 10.392 -6.563 1.00 0.00 H new ATOM 1679 N LYS A 103 5.528 12.877 -8.638 1.00 0.00 N ATOM 1680 CA LYS A 103 6.328 13.731 -9.499 1.00 0.00 C ATOM 1681 C LYS A 103 5.610 15.045 -9.755 1.00 0.00 C ATOM 1682 O LYS A 103 6.226 16.107 -9.790 1.00 0.00 O ATOM 1683 CB LYS A 103 6.626 13.029 -10.824 1.00 0.00 C ATOM 1684 CG LYS A 103 8.014 13.325 -11.368 1.00 0.00 C ATOM 1685 CD LYS A 103 7.983 14.438 -12.399 1.00 0.00 C ATOM 1686 CE LYS A 103 7.976 13.892 -13.818 1.00 0.00 C ATOM 1687 NZ LYS A 103 6.850 12.944 -14.044 1.00 0.00 N ATOM 0 H LYS A 103 4.963 12.188 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 103 7.272 13.938 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.520 11.953 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.883 13.332 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.675 13.606 -10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.429 12.423 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.098 15.054 -12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.850 15.084 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.902 14.719 -14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.921 13.387 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.778 12.726 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.023 12.067 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.962 13.376 -13.719 1.00 0.00 H new ATOM 1701 N ALA A 104 4.295 14.969 -9.919 1.00 0.00 N ATOM 1702 CA ALA A 104 3.477 16.154 -10.161 1.00 0.00 C ATOM 1703 C ALA A 104 3.328 16.962 -8.879 1.00 0.00 C ATOM 1704 O ALA A 104 3.235 18.191 -8.911 1.00 0.00 O ATOM 1705 CB ALA A 104 2.118 15.759 -10.715 1.00 0.00 C ATOM 0 H ALA A 104 3.769 14.096 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 104 3.975 16.778 -10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.522 16.655 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.250 15.222 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.606 15.116 -9.999 1.00 0.00 H new ATOM 1711 N ALA A 105 3.299 16.269 -7.748 1.00 0.00 N ATOM 1712 CA ALA A 105 3.159 16.914 -6.454 1.00 0.00 C ATOM 1713 C ALA A 105 4.518 17.328 -5.894 1.00 0.00 C ATOM 1714 O ALA A 105 4.652 18.401 -5.293 1.00 0.00 O ATOM 1715 CB ALA A 105 2.440 15.999 -5.482 1.00 0.00 C ATOM 0 H ALA A 105 3.371 15.253 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 105 2.564 17.817 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.343 16.497 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.449 15.763 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.010 15.078 -5.359 1.00 0.00 H new ATOM 1721 N GLY A 106 5.519 16.473 -6.079 1.00 0.00 N ATOM 1722 CA GLY A 106 6.845 16.763 -5.575 1.00 0.00 C ATOM 1723 C GLY A 106 7.240 15.822 -4.460 1.00 0.00 C ATOM 1724 O GLY A 106 8.422 15.518 -4.280 1.00 0.00 O ATOM 0 H GLY A 106 5.433 15.583 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.567 16.687 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.880 17.790 -5.213 1.00 0.00 H new ATOM 1728 N ILE A 107 6.253 15.350 -3.718 1.00 0.00 N ATOM 1729 CA ILE A 107 6.476 14.424 -2.614 1.00 0.00 C ATOM 1730 C ILE A 107 7.202 13.170 -3.096 1.00 0.00 C ATOM 1731 O ILE A 107 6.599 12.297 -3.713 1.00 0.00 O ATOM 1732 CB ILE A 107 5.137 14.034 -1.939 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.325 12.854 -0.992 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.076 13.707 -2.989 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.316 13.128 0.062 1.00 0.00 C ATOM 0 H ILE A 107 5.274 15.596 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 107 7.102 14.930 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 107 4.796 14.890 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.369 12.606 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.639 11.981 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.144 13.436 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.910 14.579 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.416 12.873 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.411 12.255 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.281 13.348 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.991 13.984 0.654 1.00 0.00 H new ATOM 1747 N VAL A 108 8.493 13.091 -2.801 1.00 0.00 N ATOM 1748 CA VAL A 108 9.295 11.950 -3.194 1.00 0.00 C ATOM 1749 C VAL A 108 10.018 11.354 -1.987 1.00 0.00 C ATOM 1750 O VAL A 108 10.139 11.991 -0.944 1.00 0.00 O ATOM 1751 CB VAL A 108 10.335 12.310 -4.275 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.851 11.051 -4.947 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.738 13.269 -5.292 1.00 0.00 C ATOM 0 H VAL A 108 9.005 13.809 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 108 8.605 11.217 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 108 11.178 12.811 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.584 11.319 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.319 10.407 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.021 10.521 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.486 13.511 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.878 12.802 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.421 14.182 -4.789 1.00 0.00 H new ATOM 1763 N ILE A 109 10.476 10.112 -2.133 1.00 0.00 N ATOM 1764 CA ILE A 109 11.172 9.430 -1.041 1.00 0.00 C ATOM 1765 C ILE A 109 12.423 10.193 -0.610 1.00 0.00 C ATOM 1766 O ILE A 109 13.407 10.265 -1.356 1.00 0.00 O ATOM 1767 CB ILE A 109 11.540 7.981 -1.431 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.866 7.161 -0.184 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.707 7.954 -2.415 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.634 6.798 0.536 1.00 0.00 C ATOM 0 H ILE A 109 10.380 9.562 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 109 10.485 9.397 -0.195 1.00 0.00 H new ATOM 0 HB ILE A 109 10.678 7.534 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.407 6.258 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.522 7.733 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.943 6.921 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.434 8.498 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.579 8.423 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.888 6.214 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.108 7.704 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.992 6.206 -0.117 1.00 0.00 H new ATOM 1782 N PRO A 110 12.413 10.782 0.516 1.00 0.00 N ATOM 1783 CA PRO A 110 13.558 11.543 1.039 1.00 0.00 C ATOM 1784 C PRO A 110 14.718 10.635 1.433 1.00 0.00 C ATOM 1785 O PRO A 110 15.123 10.608 2.595 1.00 0.00 O ATOM 1786 CB PRO A 110 12.984 12.251 2.265 1.00 0.00 C ATOM 1787 CG PRO A 110 11.865 11.364 2.711 1.00 0.00 C ATOM 1788 CD PRO A 110 11.286 10.762 1.468 1.00 0.00 C ATOM 0 HA PRO A 110 13.972 12.226 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.736 12.367 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.625 13.250 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.228 10.589 3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.111 11.933 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.927 9.748 1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.439 11.341 1.099 1.00 0.00 H new ATOM 1796 N GLU A 111 15.244 9.901 0.462 1.00 0.00 N ATOM 1797 CA GLU A 111 16.359 8.996 0.706 1.00 0.00 C ATOM 1798 C GLU A 111 17.685 9.748 0.708 1.00 0.00 C ATOM 1799 O GLU A 111 18.569 9.461 -0.025 1.00 0.00 O ATOM 1800 CB GLU A 111 16.376 7.888 -0.265 1.00 0.00 C ATOM 1801 CG GLU A 111 15.428 6.740 0.000 1.00 0.00 C ATOM 1802 CD GLU A 111 15.990 5.772 0.981 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.198 6.191 2.134 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.218 4.596 0.618 1.00 0.00 O ATOM 0 H GLU A 111 14.916 9.915 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 111 16.220 8.561 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.150 8.295 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.390 7.489 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.482 7.130 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.211 6.224 -0.936 1.00 0.00 H new ATOM 1811 N GLU A 112 17.814 10.717 1.607 1.00 0.00 N ATOM 1812 CA GLU A 112 19.032 11.507 1.705 1.00 0.00 C ATOM 1813 C GLU A 112 20.231 10.623 2.031 1.00 0.00 C ATOM 1814 O GLU A 112 20.328 10.158 3.186 1.00 0.00 O ATOM 1815 CB GLU A 112 18.872 12.590 2.778 1.00 0.00 C ATOM 1816 CG GLU A 112 19.244 13.983 2.292 1.00 0.00 C ATOM 1817 CD GLU A 112 18.396 15.073 2.923 1.00 0.00 C ATOM 1818 OE1 GLU A 112 18.535 15.298 4.144 1.00 0.00 O ATOM 1819 OE2 GLU A 112 17.586 15.692 2.201 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.067 10.408 1.133 1.00 0.00 O ATOM 0 H GLU A 112 17.089 10.973 2.278 1.00 0.00 H new ATOM 0 HA GLU A 112 19.209 11.982 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.838 12.598 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.493 12.335 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.294 14.172 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.135 14.026 1.208 1.00 0.00 H new