USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=13 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 48 GLN : amide:sc= -0.68 K(o=-0.039,f=-0.72) USER MOD Set 1.2: A 91 THR OG1 : rot -159:sc= 0.642 USER MOD Set 2.1: A 26 TYR OH : rot -95:sc= 0.2 USER MOD Set 2.2: A 88 TYR OH : rot -105:sc= 1.66 USER MOD Set 3.1: A 10 ASN : amide:sc= -4.64! C(o=-15!,f=-17!) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -10.2! C(o=-15!,f=-15!) USER MOD Single : A 8 TYR OH : rot 180:sc= -3 USER MOD Single : A 12 ASN : amide:sc= -1.04 K(o=-1,f=-4.6!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.985 F(o=-3.1,f=-0.98) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 134:sc= 0.303 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.52 F(o=-4.2,f=-1.5) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.14 F(o=-0.92,f=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 94:sc= -0.582! USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -5.66! C(o=-5.7!,f=-7.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.021) USER MOD Single : A 93 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.3) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= 0.209 (180deg=-0.482) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.195 2.533 0.061 1.00 0.00 N ATOM 122 CA TYR A 8 -13.966 1.800 -0.053 1.00 0.00 C ATOM 123 C TYR A 8 -14.234 0.357 -0.428 1.00 0.00 C ATOM 124 O TYR A 8 -14.224 -0.460 0.350 1.00 0.00 O ATOM 125 CB TYR A 8 -13.154 1.869 1.162 1.00 0.00 C ATOM 126 CG TYR A 8 -12.689 3.269 1.509 1.00 0.00 C ATOM 127 CD1 TYR A 8 -11.586 3.832 0.872 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.348 4.021 2.464 1.00 0.00 C ATOM 129 CE1 TYR A 8 -11.158 5.108 1.185 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.931 5.301 2.786 1.00 0.00 C ATOM 131 CZ TYR A 8 -11.832 5.839 2.140 1.00 0.00 C ATOM 132 OH TYR A 8 -11.412 7.115 2.454 1.00 0.00 O ATOM 0 HA TYR A 8 -13.392 2.274 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.731 1.471 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.282 1.226 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.057 3.263 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.205 3.601 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.300 5.531 0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.458 5.874 3.534 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.996 7.491 3.145 1.00 0.00 H new ATOM 142 N ASP A 9 -14.469 0.134 -1.712 1.00 0.00 N ATOM 143 CA ASP A 9 -14.743 -1.149 -2.203 1.00 0.00 C ATOM 144 C ASP A 9 -13.472 -2.004 -2.210 1.00 0.00 C ATOM 145 O ASP A 9 -13.544 -3.228 -2.167 1.00 0.00 O ATOM 146 CB ASP A 9 -15.336 -1.083 -3.615 1.00 0.00 C ATOM 147 CG ASP A 9 -16.788 -1.534 -3.652 1.00 0.00 C ATOM 148 OD1 ASP A 9 -17.094 -2.600 -3.075 1.00 0.00 O ATOM 149 OD2 ASP A 9 -17.610 -0.818 -4.253 1.00 0.00 O ATOM 0 H ASP A 9 -14.468 0.864 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.477 -1.610 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.265 -0.062 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.746 -1.709 -4.284 1.00 0.00 H new ATOM 154 N ASN A 10 -12.317 -1.342 -2.261 1.00 0.00 N ATOM 155 CA ASN A 10 -11.036 -2.042 -2.275 1.00 0.00 C ATOM 156 C ASN A 10 -10.932 -3.010 -1.092 1.00 0.00 C ATOM 157 O ASN A 10 -11.069 -4.224 -1.261 1.00 0.00 O ATOM 158 CB ASN A 10 -9.880 -1.040 -2.240 1.00 0.00 C ATOM 159 CG ASN A 10 -8.525 -1.713 -2.298 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.419 -2.932 -2.160 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.482 -0.918 -2.508 1.00 0.00 N ATOM 0 H ASN A 10 -12.243 -0.325 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.974 -2.618 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.976 -0.351 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.947 -0.445 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.543 -1.312 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.620 0.087 -2.616 1.00 0.00 H new ATOM 168 N ILE A 11 -10.701 -2.466 0.048 1.00 0.00 N ATOM 169 CA ILE A 11 -10.586 -3.286 1.220 1.00 0.00 C ATOM 170 C ILE A 11 -10.638 -2.406 2.468 1.00 0.00 C ATOM 171 O ILE A 11 -11.048 -1.251 2.399 1.00 0.00 O ATOM 172 CB ILE A 11 -9.288 -4.130 1.192 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.501 -5.459 1.920 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.109 -3.363 1.798 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.602 -6.645 0.987 1.00 0.00 C ATOM 0 H ILE A 11 -10.587 -1.464 0.204 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.424 -3.983 1.241 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.045 -4.338 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.676 -5.621 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.411 -5.396 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.214 -3.984 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.939 -2.449 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.334 -3.109 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.752 -7.554 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.444 -6.504 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.682 -6.732 0.409 1.00 0.00 H new ATOM 187 N ASN A 12 -10.227 -2.954 3.606 1.00 0.00 N ATOM 188 CA ASN A 12 -10.233 -2.207 4.857 1.00 0.00 C ATOM 189 C ASN A 12 -9.147 -1.142 4.842 1.00 0.00 C ATOM 190 O ASN A 12 -8.178 -1.211 5.595 1.00 0.00 O ATOM 191 CB ASN A 12 -10.036 -3.146 6.045 1.00 0.00 C ATOM 192 CG ASN A 12 -8.851 -4.075 5.856 1.00 0.00 C ATOM 193 OD1 ASN A 12 -7.929 -3.774 5.097 1.00 0.00 O ATOM 194 ND2 ASN A 12 -8.887 -5.209 6.547 1.00 0.00 N ATOM 0 H ASN A 12 -9.886 -3.912 3.688 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.202 -1.718 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.892 -2.557 6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.939 -3.738 6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.125 -5.882 6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.677 -5.407 7.162 1.00 0.00 H new ATOM 201 N LEU A 13 -9.308 -0.154 3.981 1.00 0.00 N ATOM 202 CA LEU A 13 -8.346 0.869 3.864 1.00 0.00 C ATOM 203 C LEU A 13 -8.598 1.929 4.920 1.00 0.00 C ATOM 204 O LEU A 13 -8.570 3.127 4.639 1.00 0.00 O ATOM 205 CB LEU A 13 -8.410 1.474 2.464 1.00 0.00 C ATOM 206 CG LEU A 13 -7.847 0.581 1.360 1.00 0.00 C ATOM 207 CD1 LEU A 13 -8.401 0.998 0.033 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.325 0.632 1.356 1.00 0.00 C ATOM 0 H LEU A 13 -10.110 -0.059 3.358 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.349 0.456 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.449 1.707 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.864 2.417 2.465 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.147 -0.449 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.995 0.356 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.487 0.908 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.125 2.033 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.942 -0.010 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.996 1.657 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.947 0.286 2.318 1.00 0.00 H new ATOM 220 N ASP A 14 -8.828 1.466 6.134 1.00 0.00 N ATOM 221 CA ASP A 14 -9.062 2.346 7.265 1.00 0.00 C ATOM 222 C ASP A 14 -7.983 2.124 8.303 1.00 0.00 C ATOM 223 O ASP A 14 -7.387 3.072 8.822 1.00 0.00 O ATOM 224 CB ASP A 14 -10.442 2.086 7.873 1.00 0.00 C ATOM 225 CG ASP A 14 -11.086 3.351 8.406 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.636 4.126 7.594 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.043 3.563 9.633 1.00 0.00 O ATOM 0 H ASP A 14 -8.858 0.473 6.364 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.031 3.381 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.091 1.641 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.349 1.360 8.681 1.00 0.00 H new ATOM 232 N GLU A 15 -7.709 0.852 8.584 1.00 0.00 N ATOM 233 CA GLU A 15 -6.683 0.489 9.544 1.00 0.00 C ATOM 234 C GLU A 15 -5.321 0.997 9.091 1.00 0.00 C ATOM 235 O GLU A 15 -4.450 1.283 9.916 1.00 0.00 O ATOM 236 CB GLU A 15 -6.637 -0.953 9.720 1.00 0.00 C ATOM 237 CG GLU A 15 -7.584 -1.472 10.791 1.00 0.00 C ATOM 238 CD GLU A 15 -7.020 -2.659 11.547 1.00 0.00 C ATOM 239 OE1 GLU A 15 -5.854 -2.573 11.989 1.00 0.00 O ATOM 240 OE2 GLU A 15 -7.738 -3.663 11.703 1.00 0.00 O ATOM 0 H GLU A 15 -8.187 0.058 8.157 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.932 0.954 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.878 -1.433 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.619 -1.246 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.804 -0.670 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.528 -1.757 10.328 1.00 0.00 H new ATOM 247 N ILE A 16 -5.139 1.127 7.771 1.00 0.00 N ATOM 248 CA ILE A 16 -3.880 1.618 7.235 1.00 0.00 C ATOM 249 C ILE A 16 -3.993 3.077 6.796 1.00 0.00 C ATOM 250 O ILE A 16 -3.046 3.639 6.245 1.00 0.00 O ATOM 251 CB ILE A 16 -3.398 0.767 6.045 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.447 -0.638 6.393 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.990 1.175 5.648 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.995 -1.503 5.276 1.00 0.00 C ATOM 0 H ILE A 16 -5.843 0.900 7.068 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.149 1.543 8.040 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.056 0.936 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.444 -0.979 6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.065 -0.766 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.659 0.567 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.983 2.227 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.316 1.024 6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.007 -2.545 5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.009 -1.185 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.363 -1.402 4.394 1.00 0.00 H new ATOM 266 N LEU A 17 -5.147 3.681 7.044 1.00 0.00 N ATOM 267 CA LEU A 17 -5.368 5.077 6.682 1.00 0.00 C ATOM 268 C LEU A 17 -5.670 5.928 7.913 1.00 0.00 C ATOM 269 O LEU A 17 -5.831 7.147 7.810 1.00 0.00 O ATOM 270 CB LEU A 17 -6.518 5.196 5.674 1.00 0.00 C ATOM 271 CG LEU A 17 -6.106 5.065 4.207 1.00 0.00 C ATOM 272 CD1 LEU A 17 -7.309 5.276 3.295 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.000 6.055 3.875 1.00 0.00 C ATOM 0 H LEU A 17 -5.944 3.229 7.493 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.451 5.448 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.259 4.428 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.006 6.160 5.814 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.724 4.057 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.998 5.179 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.070 4.528 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.720 6.272 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.719 5.948 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.354 7.070 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.133 5.857 4.505 1.00 0.00 H new ATOM 285 N ALA A 18 -5.741 5.287 9.074 1.00 0.00 N ATOM 286 CA ALA A 18 -6.027 5.993 10.319 1.00 0.00 C ATOM 287 C ALA A 18 -4.965 7.053 10.589 1.00 0.00 C ATOM 288 O ALA A 18 -5.277 8.237 10.706 1.00 0.00 O ATOM 289 CB ALA A 18 -6.094 5.004 11.480 1.00 0.00 C ATOM 0 H ALA A 18 -5.605 4.282 9.180 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.993 6.489 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.308 5.541 12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.883 4.276 11.293 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.139 4.487 11.574 1.00 0.00 H new ATOM 295 N ASN A 19 -3.711 6.631 10.691 1.00 0.00 N ATOM 296 CA ASN A 19 -2.612 7.549 10.954 1.00 0.00 C ATOM 297 C ASN A 19 -1.263 6.887 10.744 1.00 0.00 C ATOM 298 O ASN A 19 -1.173 5.678 10.481 1.00 0.00 O ATOM 299 CB ASN A 19 -2.701 8.103 12.379 1.00 0.00 C ATOM 300 CG ASN A 19 -3.388 7.149 13.338 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.050 5.869 13.243 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.212 7.558 14.156 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.430 5.655 10.595 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.701 8.370 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.697 8.317 12.744 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.243 9.048 12.363 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.442 8.551 14.195 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.664 6.904 14.795 1.00 0.00 H new ATOM 309 N LYS A 20 -0.201 7.685 10.867 1.00 0.00 N ATOM 310 CA LYS A 20 1.074 7.196 10.700 1.00 0.00 C ATOM 311 C LYS A 20 1.336 6.018 11.632 1.00 0.00 C ATOM 312 O LYS A 20 2.195 5.192 11.359 1.00 0.00 O ATOM 313 CB LYS A 20 2.094 8.318 10.929 1.00 0.00 C ATOM 314 CG LYS A 20 2.451 8.567 12.383 1.00 0.00 C ATOM 315 CD LYS A 20 1.266 9.110 13.169 1.00 0.00 C ATOM 316 CE LYS A 20 1.484 8.993 14.669 1.00 0.00 C ATOM 317 NZ LYS A 20 0.536 9.829 15.444 1.00 0.00 N ATOM 0 H LYS A 20 -0.252 8.680 11.086 1.00 0.00 H new ATOM 0 HA LYS A 20 1.178 6.832 9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.006 8.078 10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.700 9.241 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.794 7.638 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.279 9.274 12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.103 10.155 12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.364 8.566 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.375 7.951 14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.505 9.289 14.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.724 9.716 16.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.657 10.827 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.439 9.531 15.237 1.00 0.00 H new ATOM 331 N ARG A 21 0.586 5.938 12.723 1.00 0.00 N ATOM 332 CA ARG A 21 0.758 4.848 13.671 1.00 0.00 C ATOM 333 C ARG A 21 0.565 3.503 12.984 1.00 0.00 C ATOM 334 O ARG A 21 1.284 2.540 13.253 1.00 0.00 O ATOM 335 CB ARG A 21 -0.159 4.985 14.827 1.00 0.00 C ATOM 336 CG ARG A 21 0.223 5.945 15.913 1.00 0.00 C ATOM 337 CD ARG A 21 -0.149 5.483 17.292 1.00 0.00 C ATOM 338 NE ARG A 21 -0.466 6.610 18.162 1.00 0.00 N ATOM 339 CZ ARG A 21 -0.748 6.487 19.459 1.00 0.00 C ATOM 340 NH1 ARG A 21 -0.757 5.295 20.032 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.032 7.564 20.181 1.00 0.00 N ATOM 0 H ARG A 21 -0.141 6.609 12.971 1.00 0.00 H new ATOM 0 HA ARG A 21 1.778 4.897 14.052 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.136 5.282 14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.279 4.000 15.278 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.299 6.112 15.875 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.256 6.905 15.721 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.007 4.813 17.234 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.674 4.911 17.720 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.472 7.545 17.755 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.547 4.463 19.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.974 5.208 21.025 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.034 8.485 19.743 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.248 7.470 21.173 1.00 0.00 H new ATOM 355 N LEU A 22 -0.330 3.436 12.070 1.00 0.00 N ATOM 356 CA LEU A 22 -0.601 2.219 11.335 1.00 0.00 C ATOM 357 C LEU A 22 0.135 2.159 10.061 1.00 0.00 C ATOM 358 O LEU A 22 0.784 1.148 9.771 1.00 0.00 O ATOM 359 CB LEU A 22 -2.093 2.111 11.018 1.00 0.00 C ATOM 360 CG LEU A 22 -3.000 1.869 12.232 1.00 0.00 C ATOM 361 CD1 LEU A 22 -4.222 2.777 12.188 1.00 0.00 C ATOM 362 CD2 LEU A 22 -3.417 0.406 12.294 1.00 0.00 C ATOM 0 H LEU A 22 -0.913 4.226 11.794 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.275 1.396 11.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.411 3.029 10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.240 1.298 10.307 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.438 2.109 13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.849 2.586 13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.902 3.819 12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.792 2.577 11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.060 0.247 13.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.960 0.144 11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.530 -0.222 12.381 1.00 0.00 H new ATOM 374 N LEU A 23 0.119 3.250 9.304 1.00 0.00 N ATOM 375 CA LEU A 23 0.881 3.316 8.062 1.00 0.00 C ATOM 376 C LEU A 23 2.344 2.984 8.341 1.00 0.00 C ATOM 377 O LEU A 23 3.001 2.275 7.573 1.00 0.00 O ATOM 378 CB LEU A 23 0.744 4.714 7.434 1.00 0.00 C ATOM 379 CG LEU A 23 2.049 5.364 6.943 1.00 0.00 C ATOM 380 CD1 LEU A 23 1.756 6.462 5.930 1.00 0.00 C ATOM 381 CD2 LEU A 23 2.838 5.918 8.120 1.00 0.00 C ATOM 0 H LEU A 23 -0.408 4.095 9.525 1.00 0.00 H new ATOM 0 HA LEU A 23 0.488 2.586 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.056 4.646 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.285 5.377 8.168 1.00 0.00 H new ATOM 0 HG LEU A 23 2.651 4.600 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.693 6.908 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.231 6.037 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.134 7.228 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.759 6.375 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.240 6.668 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.081 5.109 8.808 1.00 0.00 H new ATOM 393 N VAL A 24 2.843 3.494 9.465 1.00 0.00 N ATOM 394 CA VAL A 24 4.217 3.261 9.870 1.00 0.00 C ATOM 395 C VAL A 24 4.390 1.830 10.358 1.00 0.00 C ATOM 396 O VAL A 24 5.431 1.219 10.143 1.00 0.00 O ATOM 397 CB VAL A 24 4.653 4.246 10.972 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.889 3.739 11.704 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.897 5.622 10.384 1.00 0.00 C ATOM 0 H VAL A 24 2.308 4.074 10.111 1.00 0.00 H new ATOM 0 HA VAL A 24 4.851 3.423 8.998 1.00 0.00 H new ATOM 0 HB VAL A 24 3.846 4.321 11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.174 4.454 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.669 2.776 12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.710 3.624 10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.204 6.306 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.683 5.562 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.980 5.989 9.923 1.00 0.00 H new ATOM 409 N ALA A 25 3.368 1.296 11.018 1.00 0.00 N ATOM 410 CA ALA A 25 3.433 -0.018 11.521 1.00 0.00 C ATOM 411 C ALA A 25 3.691 -0.962 10.388 1.00 0.00 C ATOM 412 O ALA A 25 4.665 -1.720 10.417 1.00 0.00 O ATOM 413 CB ALA A 25 2.161 -0.346 12.269 1.00 0.00 C ATOM 0 H ALA A 25 2.490 1.780 11.204 1.00 0.00 H new ATOM 0 HA ALA A 25 4.254 -0.116 12.231 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.218 -1.364 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.037 0.350 13.098 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.310 -0.262 11.594 1.00 0.00 H new ATOM 419 N TYR A 26 2.839 -0.931 9.371 1.00 0.00 N ATOM 420 CA TYR A 26 3.020 -1.812 8.223 1.00 0.00 C ATOM 421 C TYR A 26 4.325 -1.468 7.533 1.00 0.00 C ATOM 422 O TYR A 26 5.156 -2.343 7.260 1.00 0.00 O ATOM 423 CB TYR A 26 1.867 -1.683 7.235 1.00 0.00 C ATOM 424 CG TYR A 26 1.909 -2.709 6.118 1.00 0.00 C ATOM 425 CD1 TYR A 26 2.028 -4.065 6.391 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.838 -2.311 4.783 1.00 0.00 C ATOM 427 CE1 TYR A 26 2.083 -4.996 5.368 1.00 0.00 C ATOM 428 CE2 TYR A 26 1.893 -3.236 3.762 1.00 0.00 C ATOM 429 CZ TYR A 26 2.016 -4.575 4.057 1.00 0.00 C ATOM 430 OH TYR A 26 2.068 -5.499 3.040 1.00 0.00 O ATOM 0 H TYR A 26 2.027 -0.316 9.316 1.00 0.00 H new ATOM 0 HA TYR A 26 3.042 -2.842 8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.925 -1.783 7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.882 -0.684 6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.078 -4.399 7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.738 -1.262 4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.178 -6.047 5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.840 -2.911 2.733 1.00 0.00 H new ATOM 0 HH TYR A 26 2.991 -5.584 2.722 1.00 0.00 H new ATOM 440 N VAL A 27 4.515 -0.181 7.271 1.00 0.00 N ATOM 441 CA VAL A 27 5.732 0.214 6.633 1.00 0.00 C ATOM 442 C VAL A 27 6.963 -0.149 7.427 1.00 0.00 C ATOM 443 O VAL A 27 7.976 -0.521 6.850 1.00 0.00 O ATOM 444 CB VAL A 27 5.725 1.748 6.470 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.098 2.259 6.052 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.667 2.169 5.466 1.00 0.00 C ATOM 0 H VAL A 27 3.860 0.571 7.486 1.00 0.00 H new ATOM 0 HA VAL A 27 5.776 -0.312 5.679 1.00 0.00 H new ATOM 0 HB VAL A 27 5.482 2.192 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.065 3.343 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.832 1.992 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.380 1.808 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.675 3.254 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.879 1.711 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.686 1.845 5.814 1.00 0.00 H new ATOM 456 N ASN A 28 6.853 -0.115 8.749 1.00 0.00 N ATOM 457 CA ASN A 28 7.956 -0.529 9.601 1.00 0.00 C ATOM 458 C ASN A 28 8.116 -2.031 9.467 1.00 0.00 C ATOM 459 O ASN A 28 9.224 -2.546 9.345 1.00 0.00 O ATOM 460 CB ASN A 28 7.701 -0.156 11.055 1.00 0.00 C ATOM 461 CG ASN A 28 8.170 1.182 11.376 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.544 1.937 10.485 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.148 1.530 12.654 1.00 0.00 N ATOM 0 H ASN A 28 6.019 0.192 9.249 1.00 0.00 H new ATOM 0 HA ASN A 28 8.867 -0.018 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.633 -0.223 11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.197 -0.877 11.704 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.451 2.463 12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.828 0.865 13.358 1.00 0.00 H new ATOM 470 N CYS A 29 6.981 -2.721 9.448 1.00 0.00 N ATOM 471 CA CYS A 29 6.971 -4.158 9.299 1.00 0.00 C ATOM 472 C CYS A 29 7.672 -4.559 8.002 1.00 0.00 C ATOM 473 O CYS A 29 8.262 -5.631 7.915 1.00 0.00 O ATOM 474 CB CYS A 29 5.524 -4.669 9.281 1.00 0.00 C ATOM 475 SG CYS A 29 5.030 -5.594 10.766 1.00 0.00 S ATOM 0 H CYS A 29 6.056 -2.299 9.535 1.00 0.00 H new ATOM 0 HA CYS A 29 7.502 -4.602 10.141 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.854 -3.818 9.159 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.389 -5.309 8.409 1.00 0.00 H new ATOM 480 N VAL A 30 7.612 -3.667 7.012 1.00 0.00 N ATOM 481 CA VAL A 30 8.242 -3.922 5.722 1.00 0.00 C ATOM 482 C VAL A 30 9.754 -4.040 5.850 1.00 0.00 C ATOM 483 O VAL A 30 10.407 -4.628 4.986 1.00 0.00 O ATOM 484 CB VAL A 30 7.891 -2.818 4.699 1.00 0.00 C ATOM 485 CG1 VAL A 30 8.566 -3.085 3.361 1.00 0.00 C ATOM 486 CG2 VAL A 30 6.379 -2.718 4.520 1.00 0.00 C ATOM 0 H VAL A 30 7.136 -2.768 7.081 1.00 0.00 H new ATOM 0 HA VAL A 30 7.850 -4.873 5.362 1.00 0.00 H new ATOM 0 HB VAL A 30 8.260 -1.868 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.304 -2.295 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.647 -3.106 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.231 -4.045 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.149 -1.936 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.991 -3.671 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.915 -2.476 5.476 1.00 0.00 H new ATOM 496 N MET A 31 10.309 -3.486 6.922 1.00 0.00 N ATOM 497 CA MET A 31 11.754 -3.551 7.129 1.00 0.00 C ATOM 498 C MET A 31 12.111 -3.183 8.569 1.00 0.00 C ATOM 499 O MET A 31 12.988 -2.350 8.804 1.00 0.00 O ATOM 500 CB MET A 31 12.471 -2.616 6.157 1.00 0.00 C ATOM 501 CG MET A 31 12.044 -1.161 6.280 1.00 0.00 C ATOM 502 SD MET A 31 13.235 -0.056 5.551 1.00 0.00 S ATOM 503 CE MET A 31 14.035 0.528 7.031 1.00 0.00 C ATOM 0 H MET A 31 9.792 -2.994 7.651 1.00 0.00 H new ATOM 0 HA MET A 31 12.080 -4.574 6.942 1.00 0.00 H new ATOM 0 HB2 MET A 31 13.546 -2.685 6.326 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.286 -2.955 5.138 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.077 -1.024 5.795 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.911 -0.909 7.332 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.818 1.238 6.765 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.302 1.019 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.475 -0.315 7.564 1.00 0.00 H new ATOM 513 N GLU A 32 11.430 -3.803 9.528 1.00 0.00 N ATOM 514 CA GLU A 32 11.693 -3.518 10.931 1.00 0.00 C ATOM 515 C GLU A 32 12.572 -4.591 11.560 1.00 0.00 C ATOM 516 O GLU A 32 13.796 -4.447 11.620 1.00 0.00 O ATOM 517 CB GLU A 32 10.377 -3.371 11.709 1.00 0.00 C ATOM 518 CG GLU A 32 10.558 -3.288 13.215 1.00 0.00 C ATOM 519 CD GLU A 32 11.557 -2.218 13.621 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.132 -1.063 13.828 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.759 -2.536 13.736 1.00 0.00 O ATOM 0 H GLU A 32 10.701 -4.497 9.361 1.00 0.00 H new ATOM 0 HA GLU A 32 12.234 -2.573 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.861 -2.474 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.732 -4.219 11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.596 -3.079 13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.892 -4.255 13.592 1.00 0.00 H new ATOM 528 N ARG A 33 11.947 -5.658 12.032 1.00 0.00 N ATOM 529 CA ARG A 33 12.673 -6.752 12.662 1.00 0.00 C ATOM 530 C ARG A 33 12.521 -8.026 11.847 1.00 0.00 C ATOM 531 O ARG A 33 12.584 -9.135 12.385 1.00 0.00 O ATOM 532 CB ARG A 33 12.169 -6.979 14.083 1.00 0.00 C ATOM 533 CG ARG A 33 12.733 -5.995 15.092 1.00 0.00 C ATOM 534 CD ARG A 33 14.160 -6.356 15.484 1.00 0.00 C ATOM 535 NE ARG A 33 15.148 -5.604 14.717 1.00 0.00 N ATOM 536 CZ ARG A 33 16.431 -5.503 15.052 1.00 0.00 C ATOM 537 NH1 ARG A 33 16.888 -6.109 16.148 1.00 0.00 N ATOM 538 NH2 ARG A 33 17.262 -4.802 14.303 1.00 0.00 N ATOM 0 H ARG A 33 10.937 -5.791 11.991 1.00 0.00 H new ATOM 0 HA ARG A 33 13.729 -6.484 12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.081 -6.910 14.089 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.426 -7.992 14.393 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.713 -4.989 14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.102 -5.982 15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.303 -6.162 16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.319 -7.423 15.330 1.00 0.00 H new ATOM 0 HE ARG A 33 14.835 -5.126 13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.253 -6.652 16.733 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.873 -6.029 16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.921 -4.335 13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.245 -4.728 14.564 1.00 0.00 H new ATOM 552 N GLY A 34 12.303 -7.859 10.549 1.00 0.00 N ATOM 553 CA GLY A 34 12.124 -9.010 9.681 1.00 0.00 C ATOM 554 C GLY A 34 10.718 -9.559 9.766 1.00 0.00 C ATOM 555 O GLY A 34 9.941 -9.149 10.629 1.00 0.00 O ATOM 0 H GLY A 34 12.247 -6.954 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.343 -8.727 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.836 -9.788 9.956 1.00 0.00 H new ATOM 559 N LYS A 35 10.374 -10.489 8.874 1.00 0.00 N ATOM 560 CA LYS A 35 9.027 -11.073 8.873 1.00 0.00 C ATOM 561 C LYS A 35 7.994 -9.965 8.787 1.00 0.00 C ATOM 562 O LYS A 35 8.345 -8.774 8.792 1.00 0.00 O ATOM 563 CB LYS A 35 8.803 -11.916 10.130 1.00 0.00 C ATOM 564 CG LYS A 35 9.122 -13.386 9.931 1.00 0.00 C ATOM 565 CD LYS A 35 10.600 -13.611 9.658 1.00 0.00 C ATOM 566 CE LYS A 35 11.423 -13.519 10.929 1.00 0.00 C ATOM 567 NZ LYS A 35 12.667 -14.341 10.845 1.00 0.00 N ATOM 0 H LYS A 35 10.997 -10.851 8.152 1.00 0.00 H new ATOM 0 HA LYS A 35 8.925 -11.726 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.421 -11.523 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.765 -11.816 10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.827 -13.945 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.535 -13.776 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.741 -14.591 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.955 -12.872 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.687 -12.478 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.823 -13.853 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.202 -14.252 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.415 -15.338 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.252 -14.006 10.053 1.00 0.00 H new ATOM 581 N CYS A 36 6.723 -10.330 8.704 1.00 0.00 N ATOM 582 CA CYS A 36 5.655 -9.347 8.605 1.00 0.00 C ATOM 583 C CYS A 36 5.713 -8.646 7.248 1.00 0.00 C ATOM 584 O CYS A 36 4.717 -8.590 6.528 1.00 0.00 O ATOM 585 CB CYS A 36 5.777 -8.342 9.744 1.00 0.00 C ATOM 586 SG CYS A 36 4.285 -7.326 10.015 1.00 0.00 S ATOM 0 H CYS A 36 6.406 -11.300 8.703 1.00 0.00 H new ATOM 0 HA CYS A 36 4.690 -9.848 8.687 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.008 -8.880 10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.620 -7.681 9.541 1.00 0.00 H new ATOM 591 N SER A 37 6.894 -8.141 6.888 1.00 0.00 N ATOM 592 CA SER A 37 7.093 -7.476 5.609 1.00 0.00 C ATOM 593 C SER A 37 6.562 -8.343 4.473 1.00 0.00 C ATOM 594 O SER A 37 5.672 -7.929 3.731 1.00 0.00 O ATOM 595 CB SER A 37 8.584 -7.185 5.390 1.00 0.00 C ATOM 596 OG SER A 37 8.870 -6.958 4.022 1.00 0.00 O ATOM 0 H SER A 37 7.729 -8.183 7.472 1.00 0.00 H new ATOM 0 HA SER A 37 6.545 -6.534 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.876 -6.312 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.177 -8.024 5.753 1.00 0.00 H new ATOM 0 HG SER A 37 9.433 -6.161 3.933 1.00 0.00 H new ATOM 602 N PRO A 38 7.088 -9.577 4.334 1.00 0.00 N ATOM 603 CA PRO A 38 6.640 -10.499 3.294 1.00 0.00 C ATOM 604 C PRO A 38 5.191 -10.915 3.514 1.00 0.00 C ATOM 605 O PRO A 38 4.472 -11.237 2.566 1.00 0.00 O ATOM 606 CB PRO A 38 7.575 -11.700 3.442 1.00 0.00 C ATOM 607 CG PRO A 38 8.065 -11.631 4.844 1.00 0.00 C ATOM 608 CD PRO A 38 8.138 -10.164 5.182 1.00 0.00 C ATOM 0 HA PRO A 38 6.674 -10.054 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.049 -12.636 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.400 -11.648 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.390 -12.155 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.043 -12.104 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.950 -9.984 6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.119 -9.746 4.957 1.00 0.00 H new ATOM 616 N GLU A 39 4.761 -10.902 4.775 1.00 0.00 N ATOM 617 CA GLU A 39 3.393 -11.270 5.109 1.00 0.00 C ATOM 618 C GLU A 39 2.402 -10.374 4.369 1.00 0.00 C ATOM 619 O GLU A 39 1.957 -10.725 3.276 1.00 0.00 O ATOM 620 CB GLU A 39 3.173 -11.181 6.624 1.00 0.00 C ATOM 621 CG GLU A 39 3.177 -12.527 7.322 1.00 0.00 C ATOM 622 CD GLU A 39 1.853 -12.846 7.989 1.00 0.00 C ATOM 623 OE1 GLU A 39 1.619 -12.356 9.112 1.00 0.00 O ATOM 624 OE2 GLU A 39 1.054 -13.601 7.384 1.00 0.00 O ATOM 0 H GLU A 39 5.338 -10.642 5.575 1.00 0.00 H new ATOM 0 HA GLU A 39 3.224 -12.300 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.952 -10.554 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.221 -10.686 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.411 -13.307 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.969 -12.541 8.071 1.00 0.00 H new ATOM 631 N GLY A 40 2.075 -9.213 4.957 1.00 0.00 N ATOM 632 CA GLY A 40 1.141 -8.274 4.333 1.00 0.00 C ATOM 633 C GLY A 40 0.237 -8.945 3.317 1.00 0.00 C ATOM 634 O GLY A 40 0.176 -8.538 2.156 1.00 0.00 O ATOM 0 H GLY A 40 2.443 -8.907 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.530 -7.806 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.703 -7.478 3.845 1.00 0.00 H new ATOM 638 N LYS A 41 -0.367 -10.015 3.755 1.00 0.00 N ATOM 639 CA LYS A 41 -1.225 -10.791 2.879 1.00 0.00 C ATOM 640 C LYS A 41 -2.393 -9.987 2.341 1.00 0.00 C ATOM 641 O LYS A 41 -2.544 -9.836 1.136 1.00 0.00 O ATOM 642 CB LYS A 41 -1.734 -12.024 3.619 1.00 0.00 C ATOM 643 CG LYS A 41 -0.669 -13.075 3.866 1.00 0.00 C ATOM 644 CD LYS A 41 -0.566 -14.043 2.695 1.00 0.00 C ATOM 645 CE LYS A 41 -0.233 -15.448 3.164 1.00 0.00 C ATOM 646 NZ LYS A 41 -1.445 -16.247 3.445 1.00 0.00 N ATOM 0 H LYS A 41 -0.287 -10.374 4.706 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.625 -11.091 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.154 -11.714 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.546 -12.471 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.294 -12.590 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.903 -13.626 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.508 -14.055 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.201 -13.698 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.363 -15.951 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.380 -15.393 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.168 -17.198 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.002 -15.782 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.018 -16.323 2.581 1.00 0.00 H new ATOM 660 N GLU A 42 -3.233 -9.482 3.235 1.00 0.00 N ATOM 661 CA GLU A 42 -4.403 -8.711 2.817 1.00 0.00 C ATOM 662 C GLU A 42 -3.996 -7.591 1.870 1.00 0.00 C ATOM 663 O GLU A 42 -4.677 -7.317 0.889 1.00 0.00 O ATOM 664 CB GLU A 42 -5.131 -8.149 4.034 1.00 0.00 C ATOM 665 CG GLU A 42 -6.595 -8.554 4.105 1.00 0.00 C ATOM 666 CD GLU A 42 -7.472 -7.743 3.180 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.928 -7.109 2.252 1.00 0.00 O ATOM 668 OE2 GLU A 42 -8.706 -7.741 3.381 1.00 0.00 O ATOM 0 H GLU A 42 -3.131 -9.589 4.244 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.083 -9.376 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.625 -8.486 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.063 -7.061 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.688 -9.610 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.950 -8.438 5.129 1.00 0.00 H new ATOM 675 N LEU A 43 -2.882 -6.947 2.175 1.00 0.00 N ATOM 676 CA LEU A 43 -2.389 -5.856 1.344 1.00 0.00 C ATOM 677 C LEU A 43 -1.821 -6.396 0.054 1.00 0.00 C ATOM 678 O LEU A 43 -2.067 -5.830 -0.946 1.00 0.00 O ATOM 679 CB LEU A 43 -1.331 -5.059 2.097 1.00 0.00 C ATOM 680 CG LEU A 43 -1.804 -4.494 3.441 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.816 -4.826 4.550 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.019 -2.992 3.337 1.00 0.00 C ATOM 0 H LEU A 43 -2.303 -7.158 2.988 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.221 -5.193 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.466 -5.699 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.997 -4.235 1.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.756 -4.961 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.175 -4.414 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.720 -5.908 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.156 -4.394 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.355 -2.605 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.083 -2.509 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.774 -2.784 2.579 1.00 0.00 H new ATOM 694 N LYS A 44 -1.083 -7.499 0.119 1.00 0.00 N ATOM 695 CA LYS A 44 -0.519 -8.088 -1.005 1.00 0.00 C ATOM 696 C LYS A 44 -1.561 -8.896 -1.766 1.00 0.00 C ATOM 697 O LYS A 44 -1.344 -9.281 -2.916 1.00 0.00 O ATOM 698 CB LYS A 44 0.616 -8.962 -0.659 1.00 0.00 C ATOM 699 CG LYS A 44 0.258 -10.287 -0.017 1.00 0.00 C ATOM 700 CD LYS A 44 0.782 -11.471 -0.799 1.00 0.00 C ATOM 701 CE LYS A 44 -0.237 -12.099 -1.657 1.00 0.00 C ATOM 702 NZ LYS A 44 0.265 -13.000 -2.695 1.00 0.00 N ATOM 0 H LYS A 44 -0.879 -7.989 0.990 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.148 -7.279 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.186 -9.162 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.275 -8.418 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.661 -10.317 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.826 -10.364 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.619 -11.147 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.169 -12.215 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.925 -12.657 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.815 -11.310 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.535 -13.384 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.897 -12.476 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.790 -13.781 -2.252 1.00 0.00 H new ATOM 716 N GLU A 45 -2.697 -9.142 -1.121 1.00 0.00 N ATOM 717 CA GLU A 45 -3.774 -9.894 -1.734 1.00 0.00 C ATOM 718 C GLU A 45 -4.765 -8.936 -2.393 1.00 0.00 C ATOM 719 O GLU A 45 -5.401 -9.269 -3.387 1.00 0.00 O ATOM 720 CB GLU A 45 -4.475 -10.763 -0.681 1.00 0.00 C ATOM 721 CG GLU A 45 -5.878 -11.195 -1.069 1.00 0.00 C ATOM 722 CD GLU A 45 -6.181 -12.628 -0.679 1.00 0.00 C ATOM 723 OE1 GLU A 45 -6.635 -12.849 0.378 1.00 0.00 O ATOM 724 OE2 GLU A 45 -5.960 -13.526 -1.521 1.00 0.00 O ATOM 0 H GLU A 45 -2.891 -8.828 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.364 -10.550 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.870 -11.651 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.523 -10.210 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.602 -10.533 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.003 -11.082 -2.146 1.00 0.00 H new ATOM 731 N HIS A 46 -4.882 -7.733 -1.821 1.00 0.00 N ATOM 732 CA HIS A 46 -5.795 -6.737 -2.353 1.00 0.00 C ATOM 733 C HIS A 46 -5.055 -5.508 -2.896 1.00 0.00 C ATOM 734 O HIS A 46 -5.689 -4.545 -3.321 1.00 0.00 O ATOM 735 CB HIS A 46 -6.801 -6.313 -1.273 1.00 0.00 C ATOM 736 CG HIS A 46 -8.208 -6.717 -1.588 1.00 0.00 C ATOM 737 ND1 HIS A 46 -8.716 -7.963 -1.296 1.00 0.00 N ATOM 738 CD2 HIS A 46 -9.215 -6.026 -2.166 1.00 0.00 C ATOM 739 CE1 HIS A 46 -9.976 -8.027 -1.682 1.00 0.00 C ATOM 740 NE2 HIS A 46 -10.303 -6.867 -2.216 1.00 0.00 N ATOM 0 H HIS A 46 -4.358 -7.435 -0.998 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.327 -7.194 -3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.508 -6.753 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.759 -5.231 -1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.174 -5.007 -2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.627 -8.882 -1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -11.216 -6.631 -2.604 1.00 0.00 H new ATOM 749 N LEU A 47 -3.718 -5.534 -2.887 1.00 0.00 N ATOM 750 CA LEU A 47 -2.951 -4.409 -3.393 1.00 0.00 C ATOM 751 C LEU A 47 -1.803 -4.866 -4.299 1.00 0.00 C ATOM 752 O LEU A 47 -1.836 -4.643 -5.508 1.00 0.00 O ATOM 753 CB LEU A 47 -2.402 -3.557 -2.240 1.00 0.00 C ATOM 754 CG LEU A 47 -2.470 -2.046 -2.462 1.00 0.00 C ATOM 755 CD1 LEU A 47 -1.532 -1.630 -3.584 1.00 0.00 C ATOM 756 CD2 LEU A 47 -3.895 -1.618 -2.769 1.00 0.00 C ATOM 0 H LEU A 47 -3.159 -6.313 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.631 -3.801 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.955 -3.801 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.363 -3.837 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.151 -1.547 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.593 -0.551 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.510 -1.904 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.820 -2.136 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.926 -0.540 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.241 -2.124 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.542 -1.883 -1.933 1.00 0.00 H new ATOM 768 N GLN A 48 -0.789 -5.488 -3.705 1.00 0.00 N ATOM 769 CA GLN A 48 0.287 -5.955 -4.466 1.00 0.00 C ATOM 770 C GLN A 48 -0.080 -6.783 -5.680 1.00 0.00 C ATOM 771 O GLN A 48 0.566 -6.813 -6.692 1.00 0.00 O ATOM 772 CB GLN A 48 1.218 -6.782 -3.570 1.00 0.00 C ATOM 773 CG GLN A 48 2.614 -6.963 -4.148 1.00 0.00 C ATOM 774 CD GLN A 48 3.361 -8.114 -3.497 1.00 0.00 C ATOM 775 OE1 GLN A 48 3.911 -8.977 -4.177 1.00 0.00 O ATOM 776 NE2 GLN A 48 3.380 -8.129 -2.172 1.00 0.00 N ATOM 0 H GLN A 48 -0.721 -5.664 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 48 0.770 -5.059 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.296 -6.298 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.772 -7.763 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.541 -7.141 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.182 -6.042 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.910 -7.392 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.865 -8.878 -1.677 1.00 0.00 H new ATOM 785 N ASP A 49 -1.195 -7.449 -5.578 1.00 0.00 N ATOM 786 CA ASP A 49 -1.705 -8.268 -6.680 1.00 0.00 C ATOM 787 C ASP A 49 -3.125 -7.870 -7.041 1.00 0.00 C ATOM 788 O ASP A 49 -3.920 -8.689 -7.500 1.00 0.00 O ATOM 789 CB ASP A 49 -1.650 -9.755 -6.310 1.00 0.00 C ATOM 790 CG ASP A 49 -2.602 -10.114 -5.191 1.00 0.00 C ATOM 791 OD1 ASP A 49 -3.252 -9.200 -4.642 1.00 0.00 O ATOM 792 OD2 ASP A 49 -2.707 -11.312 -4.863 1.00 0.00 O ATOM 0 H ASP A 49 -1.783 -7.451 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.071 -8.097 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.888 -10.353 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.634 -10.014 -6.014 1.00 0.00 H new ATOM 797 N ALA A 50 -3.452 -6.601 -6.816 1.00 0.00 N ATOM 798 CA ALA A 50 -4.783 -6.088 -7.112 1.00 0.00 C ATOM 799 C ALA A 50 -4.729 -4.952 -8.125 1.00 0.00 C ATOM 800 O ALA A 50 -5.626 -4.801 -8.955 1.00 0.00 O ATOM 801 CB ALA A 50 -5.459 -5.618 -5.837 1.00 0.00 C ATOM 0 H ALA A 50 -2.811 -5.909 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.364 -6.900 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.453 -5.237 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.545 -6.453 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.865 -4.826 -5.381 1.00 0.00 H new ATOM 807 N ILE A 51 -3.664 -4.147 -8.060 1.00 0.00 N ATOM 808 CA ILE A 51 -3.496 -3.019 -8.973 1.00 0.00 C ATOM 809 C ILE A 51 -3.577 -3.470 -10.431 1.00 0.00 C ATOM 810 O ILE A 51 -2.566 -3.819 -11.034 1.00 0.00 O ATOM 811 CB ILE A 51 -2.150 -2.298 -8.743 1.00 0.00 C ATOM 812 CG1 ILE A 51 -2.023 -1.872 -7.277 1.00 0.00 C ATOM 813 CG2 ILE A 51 -2.027 -1.090 -9.659 1.00 0.00 C ATOM 814 CD1 ILE A 51 -0.718 -1.173 -6.969 1.00 0.00 C ATOM 0 H ILE A 51 -2.908 -4.258 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.310 -2.325 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.341 -2.990 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.851 -1.209 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.115 -2.752 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.072 -0.595 -9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.081 -1.414 -10.698 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.840 -0.394 -9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.693 -0.898 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.114 -1.842 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.633 -0.275 -7.580 1.00 0.00 H new ATOM 940 N GLU A 60 -12.464 -1.904 -10.819 1.00 0.00 N ATOM 941 CA GLU A 60 -11.779 -0.649 -11.097 1.00 0.00 C ATOM 942 C GLU A 60 -11.912 0.261 -9.933 1.00 0.00 C ATOM 943 O GLU A 60 -10.938 0.867 -9.515 1.00 0.00 O ATOM 944 CB GLU A 60 -12.324 -0.030 -12.372 1.00 0.00 C ATOM 945 CG GLU A 60 -11.474 1.050 -12.900 1.00 0.00 C ATOM 946 CD GLU A 60 -10.303 0.567 -13.740 1.00 0.00 C ATOM 947 OE1 GLU A 60 -9.801 -0.466 -13.469 1.00 0.00 O ATOM 948 OE2 GLU A 60 -9.899 1.300 -14.663 1.00 0.00 O ATOM 0 HA GLU A 60 -10.716 -0.833 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.427 -0.806 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.322 0.363 -12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.088 1.718 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.090 1.636 -12.065 1.00 0.00 H new ATOM 955 N ASN A 61 -13.129 0.391 -9.416 1.00 0.00 N ATOM 956 CA ASN A 61 -13.385 1.297 -8.296 1.00 0.00 C ATOM 957 C ASN A 61 -12.373 1.082 -7.177 1.00 0.00 C ATOM 958 O ASN A 61 -11.780 2.034 -6.669 1.00 0.00 O ATOM 959 CB ASN A 61 -14.807 1.118 -7.767 1.00 0.00 C ATOM 960 CG ASN A 61 -15.186 -0.261 -7.594 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.859 -0.817 -6.436 1.00 0.00 O flip ATOM 962 ND2 ASN A 61 -15.767 -0.870 -8.489 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.950 -0.114 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.278 2.318 -8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.898 1.634 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.505 1.595 -8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.996 -0.396 -9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.020 -1.849 -8.358 1.00 0.00 H new ATOM 969 N GLN A 62 -12.171 -0.105 -6.789 1.00 0.00 N ATOM 970 CA GLN A 62 -11.223 -0.428 -5.733 1.00 0.00 C ATOM 971 C GLN A 62 -9.867 0.135 -6.040 1.00 0.00 C ATOM 972 O GLN A 62 -9.142 0.544 -5.142 1.00 0.00 O ATOM 973 CB GLN A 62 -11.090 -1.943 -5.585 1.00 0.00 C ATOM 974 CG GLN A 62 -10.930 -2.663 -6.912 1.00 0.00 C ATOM 975 CD GLN A 62 -9.560 -3.302 -7.062 1.00 0.00 C ATOM 976 OE1 GLN A 62 -9.119 -3.988 -6.020 1.00 0.00 O flip ATOM 977 NE2 GLN A 62 -8.914 -3.181 -8.103 1.00 0.00 N flip ATOM 0 H GLN A 62 -12.650 -0.916 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.600 0.009 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.231 -2.165 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.971 -2.330 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.698 -3.431 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.090 -1.957 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.296 -2.642 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.997 -3.620 -8.188 1.00 0.00 H new ATOM 986 N GLU A 63 -9.536 0.182 -7.322 1.00 0.00 N ATOM 987 CA GLU A 63 -8.279 0.747 -7.774 1.00 0.00 C ATOM 988 C GLU A 63 -8.166 2.186 -7.274 1.00 0.00 C ATOM 989 O GLU A 63 -7.097 2.617 -6.835 1.00 0.00 O ATOM 990 CB GLU A 63 -8.204 0.716 -9.293 1.00 0.00 C ATOM 991 CG GLU A 63 -6.804 0.479 -9.830 1.00 0.00 C ATOM 992 CD GLU A 63 -6.106 1.762 -10.234 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.243 2.164 -11.412 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.424 2.367 -9.382 1.00 0.00 O ATOM 0 H GLU A 63 -10.130 -0.169 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.454 0.157 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.864 -0.068 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.579 1.661 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.210 -0.029 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.858 -0.187 -10.691 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.278 2.911 -7.319 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.303 4.287 -6.862 1.00 0.00 C ATOM 1003 C LYS A 64 -8.920 4.364 -5.392 1.00 0.00 C ATOM 1004 O LYS A 64 -8.020 5.126 -5.016 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.693 4.897 -7.077 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.800 6.340 -6.606 1.00 0.00 C ATOM 1007 CD LYS A 64 -10.660 7.313 -7.759 1.00 0.00 C ATOM 1008 CE LYS A 64 -11.842 7.237 -8.707 1.00 0.00 C ATOM 1009 NZ LYS A 64 -11.968 8.455 -9.551 1.00 0.00 N ATOM 0 H LYS A 64 -10.172 2.565 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.578 4.856 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.942 4.849 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.432 4.294 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.761 6.493 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.027 6.540 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.571 8.327 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.741 7.099 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.734 6.363 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.758 7.100 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.789 8.357 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.097 9.288 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.106 8.573 -10.121 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.576 3.561 -4.561 1.00 0.00 N ATOM 1024 CA GLY A 65 -9.270 3.544 -3.147 1.00 0.00 C ATOM 1025 C GLY A 65 -7.812 3.230 -2.904 1.00 0.00 C ATOM 1026 O GLY A 65 -7.181 3.808 -2.019 1.00 0.00 O ATOM 0 H GLY A 65 -10.317 2.920 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.514 4.512 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.892 2.802 -2.647 1.00 0.00 H new ATOM 1030 N ALA A 66 -7.269 2.316 -3.700 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.871 1.937 -3.575 1.00 0.00 C ATOM 1032 C ALA A 66 -4.970 3.131 -3.853 1.00 0.00 C ATOM 1033 O ALA A 66 -4.238 3.575 -2.966 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.542 0.787 -4.508 1.00 0.00 C ATOM 0 H ALA A 66 -7.776 1.826 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.694 1.604 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.491 0.519 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.164 -0.073 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.735 1.088 -5.538 1.00 0.00 H new ATOM 1040 N TYR A 67 -5.037 3.666 -5.067 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.224 4.823 -5.409 1.00 0.00 C ATOM 1042 C TYR A 67 -4.424 5.910 -4.371 1.00 0.00 C ATOM 1043 O TYR A 67 -3.466 6.482 -3.857 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.584 5.349 -6.805 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.411 5.975 -7.538 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.531 6.831 -6.890 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.199 5.710 -8.886 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.466 7.405 -7.556 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.138 6.287 -9.568 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.274 7.131 -8.894 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.220 7.700 -9.568 1.00 0.00 O ATOM 0 H TYR A 67 -5.636 3.323 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.176 4.524 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.979 4.528 -7.403 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.380 6.088 -6.712 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.682 7.053 -5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.870 5.045 -9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.788 8.064 -7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.988 6.079 -10.617 1.00 0.00 H new ATOM 0 HH TYR A 67 0.542 7.084 -9.564 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.684 6.169 -4.031 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.002 7.165 -3.021 1.00 0.00 C ATOM 1063 C ARG A 68 -5.189 6.897 -1.763 1.00 0.00 C ATOM 1064 O ARG A 68 -4.711 7.827 -1.105 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.498 7.143 -2.698 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.045 8.484 -2.252 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.273 8.313 -1.366 1.00 0.00 C ATOM 1068 NE ARG A 68 -8.957 8.505 0.006 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.865 8.767 0.897 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -11.153 8.879 0.574 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -9.499 8.920 2.164 1.00 0.00 N ATOM 0 H ARG A 68 -6.495 5.704 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.749 8.152 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.046 6.812 -3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.681 6.407 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.275 9.031 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.304 9.082 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.042 9.025 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.689 7.316 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.983 8.435 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.448 8.758 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.844 9.085 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.517 8.831 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.200 9.126 2.876 1.00 0.00 H new ATOM 1085 N VAL A 69 -5.030 5.616 -1.435 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.265 5.226 -0.271 1.00 0.00 C ATOM 1087 C VAL A 69 -2.781 5.464 -0.487 1.00 0.00 C ATOM 1088 O VAL A 69 -2.048 5.758 0.381 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.515 3.751 0.024 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.616 3.303 1.150 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.980 3.515 0.337 1.00 0.00 C ATOM 0 H VAL A 69 -5.424 4.837 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.585 5.834 0.576 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.276 3.154 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.795 2.249 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.574 3.444 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.829 3.892 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.142 2.457 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.265 4.104 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.587 3.814 -0.517 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.327 5.347 -1.729 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.920 5.566 -2.030 1.00 0.00 C ATOM 1103 C ILE A 70 -0.583 7.051 -1.988 1.00 0.00 C ATOM 1104 O ILE A 70 0.426 7.440 -1.577 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.495 4.963 -3.397 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.935 4.728 -3.393 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.898 5.852 -4.570 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.325 3.274 -3.243 1.00 0.00 C ATOM 0 H ILE A 70 -2.905 5.105 -2.534 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.355 5.044 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.020 4.017 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.357 5.112 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.383 5.298 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.580 5.389 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.981 5.976 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.422 6.827 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.411 3.186 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.936 2.888 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.909 2.699 -4.070 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.539 7.882 -2.386 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.352 9.317 -2.370 1.00 0.00 C ATOM 1122 C GLU A 71 -1.452 9.833 -0.942 1.00 0.00 C ATOM 1123 O GLU A 71 -0.772 10.781 -0.561 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.388 10.013 -3.256 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.820 9.664 -2.894 1.00 0.00 C ATOM 1126 CD GLU A 71 -4.833 10.443 -3.712 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.170 11.574 -3.310 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.282 9.923 -4.753 1.00 0.00 O ATOM 0 H GLU A 71 -2.453 7.580 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.362 9.542 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.254 11.092 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.207 9.742 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.980 8.596 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.982 9.864 -1.835 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.303 9.182 -0.154 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.478 9.573 1.161 1.00 0.00 C ATOM 1137 C HIS A 72 -1.232 9.228 1.962 1.00 0.00 C ATOM 1138 O HIS A 72 -0.740 10.044 2.736 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.700 8.878 1.756 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.413 9.701 2.786 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.739 10.063 2.685 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.968 10.227 3.953 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -6.084 10.778 3.740 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -5.024 10.893 4.529 1.00 0.00 N ATOM 0 H HIS A 72 -2.866 8.382 -0.445 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.640 10.650 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.395 8.633 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.389 7.936 2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.970 10.139 4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.061 11.197 3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.997 11.393 5.417 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.711 8.027 1.754 1.00 0.00 N ATOM 1154 CA LEU A 73 0.406 7.590 2.448 1.00 0.00 C ATOM 1155 C LEU A 73 1.618 8.325 1.872 1.00 0.00 C ATOM 1156 O LEU A 73 2.559 8.659 2.591 1.00 0.00 O ATOM 1157 CB LEU A 73 0.581 6.074 2.307 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.091 5.233 3.346 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.532 5.690 3.475 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -0.047 3.758 2.973 1.00 0.00 C ATOM 0 H LEU A 73 -1.083 7.352 1.086 1.00 0.00 H new ATOM 0 HA LEU A 73 0.296 7.802 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.205 5.775 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.647 5.849 2.321 1.00 0.00 H new ATOM 0 HG LEU A 73 0.433 5.350 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.039 5.088 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.556 6.738 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.038 5.573 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.543 3.172 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.557 3.608 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.991 3.436 2.883 1.00 0.00 H new ATOM 1172 N ILE A 74 1.554 8.591 0.563 1.00 0.00 N ATOM 1173 CA ILE A 74 2.622 9.306 -0.052 1.00 0.00 C ATOM 1174 C ILE A 74 2.936 10.605 0.597 1.00 0.00 C ATOM 1175 O ILE A 74 4.092 10.897 0.896 1.00 0.00 O ATOM 1176 CB ILE A 74 2.240 9.595 -1.520 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.966 8.626 -2.464 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.538 11.031 -1.913 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.102 8.129 -3.607 1.00 0.00 C ATOM 0 H ILE A 74 0.789 8.322 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 74 3.507 8.676 0.041 1.00 0.00 H new ATOM 0 HB ILE A 74 1.164 9.445 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.846 9.122 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.321 7.770 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.254 11.190 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.971 11.708 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.604 11.227 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.681 7.449 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.235 7.604 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.768 8.976 -4.206 1.00 0.00 H new ATOM 1191 N LYS A 75 1.891 11.368 0.908 1.00 0.00 N ATOM 1192 CA LYS A 75 2.051 12.616 1.618 1.00 0.00 C ATOM 1193 C LYS A 75 2.172 12.353 3.114 1.00 0.00 C ATOM 1194 O LYS A 75 2.755 13.149 3.850 1.00 0.00 O ATOM 1195 CB LYS A 75 0.876 13.557 1.304 1.00 0.00 C ATOM 1196 CG LYS A 75 0.008 13.882 2.489 1.00 0.00 C ATOM 1197 CD LYS A 75 0.624 14.898 3.421 1.00 0.00 C ATOM 1198 CE LYS A 75 -0.264 15.997 3.804 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.998 15.683 5.058 1.00 0.00 N ATOM 0 H LYS A 75 0.926 11.136 0.675 1.00 0.00 H new ATOM 0 HA LYS A 75 2.968 13.105 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.270 14.486 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.258 13.102 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.952 14.259 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.195 12.966 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.957 14.387 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.512 15.315 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.318 16.908 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.976 16.189 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.619 16.479 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.571 14.826 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.317 15.523 5.828 1.00 0.00 H new ATOM 1213 N ASN A 76 1.625 11.230 3.565 1.00 0.00 N ATOM 1214 CA ASN A 76 1.680 10.860 4.969 1.00 0.00 C ATOM 1215 C ASN A 76 3.122 10.888 5.448 1.00 0.00 C ATOM 1216 O ASN A 76 3.425 11.447 6.505 1.00 0.00 O ATOM 1217 CB ASN A 76 1.096 9.466 5.186 1.00 0.00 C ATOM 1218 CG ASN A 76 0.773 9.200 6.645 1.00 0.00 C ATOM 1219 OD1 ASN A 76 1.635 9.330 7.515 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.386 8.809 6.921 1.00 0.00 N ATOM 0 H ASN A 76 1.136 10.559 2.973 1.00 0.00 H new ATOM 0 HA ASN A 76 1.088 11.576 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.190 9.357 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.804 8.718 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.634 8.590 7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.081 8.710 6.181 1.00 0.00 H new ATOM 1227 N GLU A 77 4.021 10.298 4.663 1.00 0.00 N ATOM 1228 CA GLU A 77 5.439 10.275 5.016 1.00 0.00 C ATOM 1229 C GLU A 77 6.298 9.661 3.923 1.00 0.00 C ATOM 1230 O GLU A 77 7.360 9.103 4.197 1.00 0.00 O ATOM 1231 CB GLU A 77 5.655 9.523 6.337 1.00 0.00 C ATOM 1232 CG GLU A 77 5.673 10.427 7.562 1.00 0.00 C ATOM 1233 CD GLU A 77 4.586 10.080 8.562 1.00 0.00 C ATOM 1234 OE1 GLU A 77 4.247 8.883 8.678 1.00 0.00 O ATOM 1235 OE2 GLU A 77 4.075 11.008 9.223 1.00 0.00 O ATOM 0 H GLU A 77 3.795 9.832 3.784 1.00 0.00 H new ATOM 0 HA GLU A 77 5.751 11.313 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.865 8.781 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.598 8.979 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.646 10.353 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.553 11.463 7.246 1.00 0.00 H new ATOM 1242 N ILE A 78 5.843 9.798 2.687 1.00 0.00 N ATOM 1243 CA ILE A 78 6.564 9.284 1.509 1.00 0.00 C ATOM 1244 C ILE A 78 7.344 8.015 1.823 1.00 0.00 C ATOM 1245 O ILE A 78 8.397 7.753 1.237 1.00 0.00 O ATOM 1246 CB ILE A 78 7.498 10.371 0.929 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.508 10.303 -0.519 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.913 10.267 1.494 1.00 0.00 C ATOM 1249 CD1 ILE A 78 8.169 9.065 -1.070 1.00 0.00 C ATOM 0 H ILE A 78 4.965 10.266 2.461 1.00 0.00 H new ATOM 0 HA ILE A 78 5.817 9.024 0.759 1.00 0.00 H new ATOM 0 HB ILE A 78 7.107 11.343 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.481 10.346 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.021 11.181 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.536 11.049 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.882 10.387 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.332 9.291 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.136 9.089 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.207 9.029 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.643 8.181 -0.710 1.00 0.00 H new ATOM 1261 N GLU A 79 6.830 7.219 2.744 1.00 0.00 N ATOM 1262 CA GLU A 79 7.484 5.995 3.123 1.00 0.00 C ATOM 1263 C GLU A 79 7.034 4.845 2.230 1.00 0.00 C ATOM 1264 O GLU A 79 7.617 3.763 2.252 1.00 0.00 O ATOM 1265 CB GLU A 79 7.227 5.675 4.591 1.00 0.00 C ATOM 1266 CG GLU A 79 5.788 5.287 4.885 1.00 0.00 C ATOM 1267 CD GLU A 79 5.441 5.435 6.350 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.143 6.569 6.782 1.00 0.00 O ATOM 1269 OE2 GLU A 79 5.458 4.419 7.074 1.00 0.00 O ATOM 0 H GLU A 79 5.959 7.406 3.240 1.00 0.00 H new ATOM 0 HA GLU A 79 8.558 6.128 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.884 4.861 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.491 6.543 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.118 5.908 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.622 4.255 4.577 1.00 0.00 H new ATOM 1276 N ILE A 80 5.990 5.095 1.446 1.00 0.00 N ATOM 1277 CA ILE A 80 5.458 4.090 0.537 1.00 0.00 C ATOM 1278 C ILE A 80 6.565 3.502 -0.245 1.00 0.00 C ATOM 1279 O ILE A 80 6.815 2.299 -0.212 1.00 0.00 O ATOM 1280 CB ILE A 80 4.373 4.688 -0.296 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.206 5.217 0.458 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.880 3.670 -1.308 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.081 5.757 -0.305 1.00 0.00 C ATOM 0 H ILE A 80 5.496 5.987 1.423 1.00 0.00 H new ATOM 0 HA ILE A 80 4.998 3.268 1.086 1.00 0.00 H new ATOM 0 HB ILE A 80 4.835 5.551 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.826 4.415 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.566 6.003 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.088 4.112 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.705 3.370 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.492 2.796 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.309 6.103 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.423 6.592 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.671 4.979 -0.949 1.00 0.00 H new ATOM 1295 N TRP A 81 7.216 4.360 -1.024 1.00 0.00 N ATOM 1296 CA TRP A 81 8.291 3.920 -1.905 1.00 0.00 C ATOM 1297 C TRP A 81 9.288 3.022 -1.171 1.00 0.00 C ATOM 1298 O TRP A 81 9.898 2.137 -1.768 1.00 0.00 O ATOM 1299 CB TRP A 81 9.008 5.116 -2.529 1.00 0.00 C ATOM 1300 CG TRP A 81 8.072 6.096 -3.180 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.359 7.378 -3.531 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.705 5.870 -3.559 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.256 7.968 -4.091 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.227 7.066 -4.121 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.837 4.773 -3.471 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.925 7.195 -4.593 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.544 4.911 -3.944 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.100 6.109 -4.501 1.00 0.00 C ATOM 0 H TRP A 81 7.019 5.360 -1.063 1.00 0.00 H new ATOM 0 HA TRP A 81 7.838 3.332 -2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.582 5.630 -1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.721 4.757 -3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.315 7.860 -3.389 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.209 8.928 -4.432 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.171 3.839 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.577 8.124 -5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.865 4.073 -3.880 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.086 6.181 -4.866 1.00 0.00 H new ATOM 1319 N ARG A 82 9.424 3.243 0.054 1.00 0.00 N ATOM 1320 CA ARG A 82 10.329 2.443 0.857 1.00 0.00 C ATOM 1321 C ARG A 82 9.880 0.985 0.878 1.00 0.00 C ATOM 1322 O ARG A 82 10.696 0.069 0.742 1.00 0.00 O ATOM 1323 CB ARG A 82 10.392 3.008 2.272 1.00 0.00 C ATOM 1324 CG ARG A 82 11.797 3.306 2.752 1.00 0.00 C ATOM 1325 CD ARG A 82 12.491 4.323 1.861 1.00 0.00 C ATOM 1326 NE ARG A 82 13.933 4.082 1.767 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.828 5.027 1.498 1.00 0.00 C ATOM 1328 NH1 ARG A 82 14.448 6.278 1.283 1.00 0.00 N ATOM 1329 NH2 ARG A 82 16.116 4.718 1.438 1.00 0.00 N ATOM 0 H ARG A 82 8.930 3.974 0.566 1.00 0.00 H new ATOM 0 HA ARG A 82 11.325 2.481 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.803 3.924 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.927 2.299 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.760 3.683 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.378 2.384 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.053 4.289 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.316 5.325 2.252 1.00 0.00 H new ATOM 0 HE ARG A 82 14.271 3.131 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.459 6.525 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.144 6.994 1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.418 3.757 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.805 5.441 1.232 1.00 0.00 H new ATOM 1343 N GLU A 83 8.581 0.779 1.060 1.00 0.00 N ATOM 1344 CA GLU A 83 8.028 -0.485 1.109 1.00 0.00 C ATOM 1345 C GLU A 83 7.739 -1.004 -0.211 1.00 0.00 C ATOM 1346 O GLU A 83 7.768 -2.210 -0.458 1.00 0.00 O ATOM 1347 CB GLU A 83 6.754 -0.518 1.957 1.00 0.00 C ATOM 1348 CG GLU A 83 5.794 0.538 1.663 1.00 0.00 C ATOM 1349 CD GLU A 83 4.431 0.334 2.298 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.374 -0.132 3.425 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.420 0.716 1.673 1.00 0.00 O ATOM 0 H GLU A 83 7.903 1.532 1.176 1.00 0.00 H new ATOM 0 HA GLU A 83 8.779 -1.122 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.266 -1.482 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.033 -0.453 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.202 1.490 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.672 0.612 0.582 1.00 0.00 H new ATOM 1358 N LEU A 84 7.471 -0.095 -1.121 1.00 0.00 N ATOM 1359 CA LEU A 84 7.184 -0.429 -2.506 1.00 0.00 C ATOM 1360 C LEU A 84 8.454 -0.863 -3.218 1.00 0.00 C ATOM 1361 O LEU A 84 8.422 -1.710 -4.107 1.00 0.00 O ATOM 1362 CB LEU A 84 6.534 0.667 -3.225 1.00 0.00 C ATOM 1363 CG LEU A 84 5.023 0.802 -3.026 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.277 -0.098 -3.931 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.638 0.578 -1.567 1.00 0.00 C ATOM 0 H LEU A 84 7.445 0.905 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 84 6.478 -1.260 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.005 1.602 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.730 0.542 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 84 4.744 1.823 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.207 0.023 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.513 0.150 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.561 -1.131 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.559 0.680 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.941 -0.423 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.139 1.317 -0.941 1.00 0.00 H new ATOM 1377 N THR A 85 9.585 -0.299 -2.807 1.00 0.00 N ATOM 1378 CA THR A 85 10.870 -0.641 -3.393 1.00 0.00 C ATOM 1379 C THR A 85 11.330 -1.992 -2.864 1.00 0.00 C ATOM 1380 O THR A 85 11.918 -2.789 -3.598 1.00 0.00 O ATOM 1381 CB THR A 85 11.916 0.354 -3.099 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.086 0.146 -3.865 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.324 0.421 -1.640 1.00 0.00 C ATOM 0 H THR A 85 9.634 0.400 -2.066 1.00 0.00 H new ATOM 0 HA THR A 85 10.725 -0.667 -4.473 1.00 0.00 H new ATOM 0 HB THR A 85 11.446 1.300 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.751 0.829 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.098 1.178 -1.513 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.458 0.681 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.710 -0.548 -1.325 1.00 0.00 H new ATOM 1391 N ALA A 86 11.047 -2.247 -1.591 1.00 0.00 N ATOM 1392 CA ALA A 86 11.424 -3.507 -0.958 1.00 0.00 C ATOM 1393 C ALA A 86 10.482 -4.626 -1.382 1.00 0.00 C ATOM 1394 O ALA A 86 10.879 -5.792 -1.439 1.00 0.00 O ATOM 1395 CB ALA A 86 11.422 -3.358 0.476 1.00 0.00 C ATOM 0 H ALA A 86 10.557 -1.597 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 86 12.430 -3.773 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.704 -4.303 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.135 -2.585 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.425 -3.073 0.811 1.00 0.00 H new ATOM 1401 N LYS A 87 9.234 -4.271 -1.688 1.00 0.00 N ATOM 1402 CA LYS A 87 8.240 -5.245 -2.114 1.00 0.00 C ATOM 1403 C LYS A 87 7.192 -4.588 -3.006 1.00 0.00 C ATOM 1404 O LYS A 87 7.021 -3.373 -2.987 1.00 0.00 O ATOM 1405 CB LYS A 87 7.565 -5.881 -0.892 1.00 0.00 C ATOM 1406 CG LYS A 87 6.989 -7.262 -1.166 1.00 0.00 C ATOM 1407 CD LYS A 87 7.306 -8.235 -0.049 1.00 0.00 C ATOM 1408 CE LYS A 87 7.082 -9.672 -0.460 1.00 0.00 C ATOM 1409 NZ LYS A 87 8.177 -10.168 -1.336 1.00 0.00 N ATOM 0 H LYS A 87 8.891 -3.311 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 87 8.744 -6.023 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.291 -5.953 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.766 -5.225 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.908 -7.188 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.390 -7.643 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.343 -8.105 0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.685 -8.006 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.014 -10.299 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.130 -9.757 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.054 -11.187 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.150 -9.664 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.094 -10.000 -0.874 1.00 0.00 H new ATOM 1423 N TYR A 88 6.500 -5.411 -3.787 1.00 0.00 N ATOM 1424 CA TYR A 88 5.448 -4.935 -4.698 1.00 0.00 C ATOM 1425 C TYR A 88 6.034 -4.415 -6.014 1.00 0.00 C ATOM 1426 O TYR A 88 5.342 -4.352 -7.023 1.00 0.00 O ATOM 1427 CB TYR A 88 4.590 -3.842 -4.051 1.00 0.00 C ATOM 1428 CG TYR A 88 4.349 -4.030 -2.559 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.374 -5.292 -1.975 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.096 -2.935 -1.734 1.00 0.00 C ATOM 1431 CE1 TYR A 88 4.157 -5.458 -0.623 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.878 -3.098 -0.386 1.00 0.00 C ATOM 1433 CZ TYR A 88 3.912 -4.362 0.090 1.00 0.00 C ATOM 1434 OH TYR A 88 3.693 -4.521 1.434 1.00 0.00 O ATOM 0 H TYR A 88 6.646 -6.420 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 88 4.813 -5.795 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.072 -2.877 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.627 -3.805 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.567 -6.158 -2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.071 -1.943 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.185 -6.435 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.688 -2.255 0.262 1.00 0.00 H new ATOM 0 HH TYR A 88 2.737 -4.420 1.624 1.00 0.00 H new ATOM 1444 N ASP A 89 7.314 -4.039 -5.997 1.00 0.00 N ATOM 1445 CA ASP A 89 7.976 -3.525 -7.193 1.00 0.00 C ATOM 1446 C ASP A 89 8.271 -4.643 -8.192 1.00 0.00 C ATOM 1447 O ASP A 89 7.991 -4.504 -9.381 1.00 0.00 O ATOM 1448 CB ASP A 89 9.270 -2.801 -6.820 1.00 0.00 C ATOM 1449 CG ASP A 89 10.022 -2.282 -8.033 1.00 0.00 C ATOM 1450 OD1 ASP A 89 9.361 -1.950 -9.039 1.00 0.00 O ATOM 1451 OD2 ASP A 89 11.263 -2.207 -7.976 1.00 0.00 O ATOM 0 H ASP A 89 7.910 -4.081 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 89 7.296 -2.817 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.037 -1.967 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.914 -3.481 -6.262 1.00 0.00 H new ATOM 1456 N PRO A 90 8.847 -5.769 -7.735 1.00 0.00 N ATOM 1457 CA PRO A 90 9.184 -6.896 -8.614 1.00 0.00 C ATOM 1458 C PRO A 90 7.957 -7.697 -9.046 1.00 0.00 C ATOM 1459 O PRO A 90 7.981 -8.386 -10.064 1.00 0.00 O ATOM 1460 CB PRO A 90 10.096 -7.761 -7.747 1.00 0.00 C ATOM 1461 CG PRO A 90 9.668 -7.483 -6.349 1.00 0.00 C ATOM 1462 CD PRO A 90 9.231 -6.037 -6.333 1.00 0.00 C ATOM 0 HA PRO A 90 9.642 -6.556 -9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.988 -8.818 -7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.145 -7.505 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.852 -8.142 -6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.486 -7.652 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.395 -5.879 -5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.036 -5.379 -6.006 1.00 0.00 H new ATOM 1470 N THR A 91 6.880 -7.603 -8.266 1.00 0.00 N ATOM 1471 CA THR A 91 5.654 -8.327 -8.586 1.00 0.00 C ATOM 1472 C THR A 91 4.568 -7.386 -9.081 1.00 0.00 C ATOM 1473 O THR A 91 3.977 -7.603 -10.139 1.00 0.00 O ATOM 1474 CB THR A 91 5.159 -9.089 -7.355 1.00 0.00 C ATOM 1475 OG1 THR A 91 4.578 -8.203 -6.421 1.00 0.00 O ATOM 1476 CG2 THR A 91 6.257 -9.850 -6.647 1.00 0.00 C ATOM 0 H THR A 91 6.833 -7.039 -7.418 1.00 0.00 H new ATOM 0 HA THR A 91 5.880 -9.033 -9.385 1.00 0.00 H new ATOM 0 HB THR A 91 4.426 -9.804 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.570 -8.621 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.841 -10.369 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.695 -10.577 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.027 -9.153 -6.316 1.00 0.00 H new ATOM 1484 N GLY A 92 4.294 -6.344 -8.309 1.00 0.00 N ATOM 1485 CA GLY A 92 3.273 -5.391 -8.681 1.00 0.00 C ATOM 1486 C GLY A 92 3.517 -4.779 -10.049 1.00 0.00 C ATOM 1487 O GLY A 92 2.796 -5.070 -11.000 1.00 0.00 O ATOM 0 H GLY A 92 4.765 -6.143 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.301 -5.885 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.232 -4.598 -7.934 1.00 0.00 H new ATOM 1491 N ASN A 93 4.547 -3.932 -10.140 1.00 0.00 N ATOM 1492 CA ASN A 93 4.913 -3.272 -11.382 1.00 0.00 C ATOM 1493 C ASN A 93 4.015 -2.062 -11.665 1.00 0.00 C ATOM 1494 O ASN A 93 4.204 -1.364 -12.660 1.00 0.00 O ATOM 1495 CB ASN A 93 4.834 -4.259 -12.528 1.00 0.00 C ATOM 1496 CG ASN A 93 5.527 -3.763 -13.780 1.00 0.00 C ATOM 1497 OD1 ASN A 93 6.659 -3.280 -13.738 1.00 0.00 O ATOM 1498 ND2 ASN A 93 4.842 -3.880 -14.923 1.00 0.00 N ATOM 0 H ASN A 93 5.146 -3.689 -9.351 1.00 0.00 H new ATOM 0 HA ASN A 93 5.936 -2.908 -11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.283 -5.203 -12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.787 -4.463 -12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.256 -3.564 -15.800 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.906 -4.286 -14.917 1.00 0.00 H new ATOM 1505 N TRP A 94 3.058 -1.810 -10.780 1.00 0.00 N ATOM 1506 CA TRP A 94 2.155 -0.670 -10.933 1.00 0.00 C ATOM 1507 C TRP A 94 2.568 0.368 -9.988 1.00 0.00 C ATOM 1508 O TRP A 94 2.149 1.522 -10.154 1.00 0.00 O ATOM 1509 CB TRP A 94 0.711 -1.099 -10.672 1.00 0.00 C ATOM 1510 CG TRP A 94 0.397 -2.429 -11.273 1.00 0.00 C ATOM 1511 CD1 TRP A 94 0.706 -3.650 -10.757 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -0.206 -2.681 -12.515 1.00 0.00 C ATOM 1513 NE1 TRP A 94 0.293 -4.648 -11.607 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -0.257 -4.076 -12.691 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -0.754 -1.858 -13.502 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -0.833 -4.667 -13.802 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -1.336 -2.455 -14.605 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -1.370 -3.844 -14.748 1.00 0.00 C ATOM 0 H TRP A 94 2.885 -2.377 -9.950 1.00 0.00 H new ATOM 0 HA TRP A 94 2.204 -0.282 -11.951 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.535 -1.138 -9.597 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.032 -0.350 -11.079 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.205 -3.812 -9.813 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.388 -5.650 -11.443 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.724 -0.783 -13.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.856 -5.741 -13.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.774 -1.834 -15.373 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.830 -4.275 -15.625 1.00 0.00 H new ATOM 1529 N ARG A 95 3.422 0.052 -9.020 1.00 0.00 N ATOM 1530 CA ARG A 95 3.911 1.024 -8.069 1.00 0.00 C ATOM 1531 C ARG A 95 4.533 2.196 -8.821 1.00 0.00 C ATOM 1532 O ARG A 95 4.485 3.336 -8.361 1.00 0.00 O ATOM 1533 CB ARG A 95 4.944 0.397 -7.128 1.00 0.00 C ATOM 1534 CG ARG A 95 6.131 -0.144 -7.848 1.00 0.00 C ATOM 1535 CD ARG A 95 7.406 -0.040 -7.026 1.00 0.00 C ATOM 1536 NE ARG A 95 7.822 1.303 -6.885 1.00 0.00 N ATOM 1537 CZ ARG A 95 8.317 2.037 -7.873 1.00 0.00 C ATOM 1538 NH1 ARG A 95 8.457 1.514 -9.090 1.00 0.00 N ATOM 1539 NH2 ARG A 95 8.671 3.290 -7.663 1.00 0.00 N ATOM 0 H ARG A 95 3.791 -0.889 -8.879 1.00 0.00 H new ATOM 0 HA ARG A 95 3.075 1.377 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.273 1.145 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.472 -0.406 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.952 -1.188 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.261 0.397 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.242 -0.477 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.197 -0.619 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 95 7.736 1.736 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.183 0.547 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.838 2.081 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.565 3.701 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.051 3.848 -8.428 1.00 0.00 H new ATOM 1553 N LYS A 96 5.098 1.906 -9.992 1.00 0.00 N ATOM 1554 CA LYS A 96 5.709 2.942 -10.814 1.00 0.00 C ATOM 1555 C LYS A 96 4.714 4.076 -11.046 1.00 0.00 C ATOM 1556 O LYS A 96 5.073 5.255 -10.988 1.00 0.00 O ATOM 1557 CB LYS A 96 6.170 2.362 -12.148 1.00 0.00 C ATOM 1558 CG LYS A 96 5.080 1.627 -12.908 1.00 0.00 C ATOM 1559 CD LYS A 96 4.351 2.548 -13.870 1.00 0.00 C ATOM 1560 CE LYS A 96 5.038 2.588 -15.231 1.00 0.00 C ATOM 1561 NZ LYS A 96 4.059 2.720 -16.343 1.00 0.00 N ATOM 0 H LYS A 96 5.144 0.967 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 96 6.580 3.336 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.553 3.170 -12.772 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.999 1.678 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.518 0.796 -13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.368 1.200 -12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.322 2.210 -13.990 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.309 3.554 -13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.736 3.425 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.624 1.679 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.566 2.744 -17.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.408 1.909 -16.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.517 3.600 -16.226 1.00 0.00 H new ATOM 1575 N LYS A 97 3.460 3.707 -11.286 1.00 0.00 N ATOM 1576 CA LYS A 97 2.413 4.699 -11.499 1.00 0.00 C ATOM 1577 C LYS A 97 2.229 5.511 -10.218 1.00 0.00 C ATOM 1578 O LYS A 97 2.148 6.738 -10.256 1.00 0.00 O ATOM 1579 CB LYS A 97 1.103 4.008 -11.887 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.091 4.793 -11.525 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.290 4.261 -12.259 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.124 3.359 -11.366 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.584 3.536 -11.596 1.00 0.00 N ATOM 0 H LYS A 97 3.146 2.738 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 97 2.700 5.366 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.099 3.826 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.053 3.035 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.259 4.742 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.063 5.843 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.901 5.091 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.965 3.706 -13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.853 2.319 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.894 3.571 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.100 3.342 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.772 4.513 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.901 2.877 -12.335 1.00 0.00 H new ATOM 1597 N TYR A 98 2.181 4.810 -9.091 1.00 0.00 N ATOM 1598 CA TYR A 98 2.031 5.450 -7.796 1.00 0.00 C ATOM 1599 C TYR A 98 3.187 6.409 -7.536 1.00 0.00 C ATOM 1600 O TYR A 98 3.045 7.384 -6.802 1.00 0.00 O ATOM 1601 CB TYR A 98 1.973 4.393 -6.699 1.00 0.00 C ATOM 1602 CG TYR A 98 0.665 3.618 -6.617 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.425 4.105 -7.172 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.635 2.393 -5.962 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.605 3.386 -7.070 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.459 1.679 -5.858 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.614 2.179 -6.411 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.787 1.470 -6.312 1.00 0.00 O ATOM 0 H TYR A 98 2.244 3.793 -9.052 1.00 0.00 H new ATOM 0 HA TYR A 98 1.102 6.020 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.787 3.685 -6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.151 4.878 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.400 5.048 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.546 2.015 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.514 3.772 -7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.453 0.725 -5.352 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.626 0.639 -5.818 1.00 0.00 H new ATOM 1618 N GLU A 99 4.344 6.113 -8.137 1.00 0.00 N ATOM 1619 CA GLU A 99 5.534 6.939 -7.965 1.00 0.00 C ATOM 1620 C GLU A 99 5.516 8.146 -8.896 1.00 0.00 C ATOM 1621 O GLU A 99 5.796 9.272 -8.464 1.00 0.00 O ATOM 1622 CB GLU A 99 6.792 6.109 -8.213 1.00 0.00 C ATOM 1623 CG GLU A 99 7.938 6.455 -7.281 1.00 0.00 C ATOM 1624 CD GLU A 99 9.277 6.506 -7.999 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.301 6.876 -9.194 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.306 6.176 -7.366 1.00 0.00 O ATOM 0 H GLU A 99 4.477 5.306 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 99 5.539 7.305 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.549 5.052 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.116 6.254 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.743 7.420 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.987 5.717 -6.480 1.00 0.00 H new ATOM 1633 N ASP A 100 5.195 7.916 -10.167 1.00 0.00 N ATOM 1634 CA ASP A 100 5.155 8.994 -11.144 1.00 0.00 C ATOM 1635 C ASP A 100 4.371 10.194 -10.624 1.00 0.00 C ATOM 1636 O ASP A 100 4.788 11.342 -10.809 1.00 0.00 O ATOM 1637 CB ASP A 100 4.552 8.463 -12.462 1.00 0.00 C ATOM 1638 CG ASP A 100 3.045 8.609 -12.536 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.554 9.754 -12.580 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.355 7.571 -12.553 1.00 0.00 O ATOM 0 H ASP A 100 4.960 6.996 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 100 6.172 9.339 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.003 8.995 -13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.814 7.411 -12.575 1.00 0.00 H new ATOM 1645 N ARG A 101 3.243 9.930 -9.979 1.00 0.00 N ATOM 1646 CA ARG A 101 2.415 10.991 -9.434 1.00 0.00 C ATOM 1647 C ARG A 101 3.187 11.826 -8.424 1.00 0.00 C ATOM 1648 O ARG A 101 3.160 13.058 -8.469 1.00 0.00 O ATOM 1649 CB ARG A 101 1.171 10.404 -8.765 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.032 11.166 -9.103 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.925 11.296 -7.901 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.806 12.457 -7.991 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.882 12.643 -7.230 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.222 11.734 -6.325 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.621 13.731 -7.376 1.00 0.00 N ATOM 0 H ARG A 101 2.882 8.989 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 101 2.114 11.635 -10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.045 9.367 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.307 10.398 -7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.247 12.155 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.569 10.670 -9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.526 10.393 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.313 11.375 -7.003 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.582 13.173 -8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.658 10.891 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.047 11.878 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.367 14.430 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.445 13.870 -6.791 1.00 0.00 H new ATOM 1669 N ALA A 102 3.881 11.149 -7.524 1.00 0.00 N ATOM 1670 CA ALA A 102 4.676 11.823 -6.510 1.00 0.00 C ATOM 1671 C ALA A 102 5.673 12.789 -7.136 1.00 0.00 C ATOM 1672 O ALA A 102 6.194 13.682 -6.464 1.00 0.00 O ATOM 1673 CB ALA A 102 5.390 10.797 -5.638 1.00 0.00 C ATOM 0 H ALA A 102 3.910 10.131 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 102 4.003 12.409 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.983 11.312 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.653 10.159 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.045 10.185 -6.258 1.00 0.00 H new ATOM 1679 N LYS A 103 5.927 12.609 -8.426 1.00 0.00 N ATOM 1680 CA LYS A 103 6.857 13.479 -9.142 1.00 0.00 C ATOM 1681 C LYS A 103 6.151 14.750 -9.584 1.00 0.00 C ATOM 1682 O LYS A 103 6.718 15.840 -9.525 1.00 0.00 O ATOM 1683 CB LYS A 103 7.445 12.752 -10.357 1.00 0.00 C ATOM 1684 CG LYS A 103 8.807 13.279 -10.776 1.00 0.00 C ATOM 1685 CD LYS A 103 9.630 12.198 -11.455 1.00 0.00 C ATOM 1686 CE LYS A 103 9.419 12.199 -12.963 1.00 0.00 C ATOM 1687 NZ LYS A 103 8.324 11.268 -13.366 1.00 0.00 N ATOM 0 H LYS A 103 5.507 11.875 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 103 7.672 13.744 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.529 11.689 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.755 12.844 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.680 14.123 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.341 13.650 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.686 12.351 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.358 11.224 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.180 13.209 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.345 11.910 -13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.208 11.295 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.564 10.301 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.436 11.559 -12.911 1.00 0.00 H new ATOM 1701 N ALA A 104 4.900 14.603 -10.012 1.00 0.00 N ATOM 1702 CA ALA A 104 4.112 15.738 -10.451 1.00 0.00 C ATOM 1703 C ALA A 104 3.710 16.604 -9.254 1.00 0.00 C ATOM 1704 O ALA A 104 3.583 17.818 -9.369 1.00 0.00 O ATOM 1705 CB ALA A 104 2.870 15.265 -11.202 1.00 0.00 C ATOM 0 H ALA A 104 4.415 13.707 -10.062 1.00 0.00 H new ATOM 0 HA ALA A 104 4.720 16.339 -11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.289 16.129 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.171 14.684 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.262 14.644 -10.544 1.00 0.00 H new ATOM 1711 N ALA A 105 3.522 15.958 -8.108 1.00 0.00 N ATOM 1712 CA ALA A 105 3.137 16.659 -6.893 1.00 0.00 C ATOM 1713 C ALA A 105 4.359 17.219 -6.175 1.00 0.00 C ATOM 1714 O ALA A 105 4.350 18.365 -5.714 1.00 0.00 O ATOM 1715 CB ALA A 105 2.358 15.738 -5.977 1.00 0.00 C ATOM 0 H ALA A 105 3.631 14.950 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 105 2.497 17.496 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.077 16.277 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.459 15.392 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.977 14.881 -5.711 1.00 0.00 H new ATOM 1721 N GLY A 106 5.410 16.406 -6.076 1.00 0.00 N ATOM 1722 CA GLY A 106 6.620 16.836 -5.406 1.00 0.00 C ATOM 1723 C GLY A 106 7.022 15.871 -4.309 1.00 0.00 C ATOM 1724 O GLY A 106 8.210 15.618 -4.099 1.00 0.00 O ATOM 0 H GLY A 106 5.442 15.457 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.429 16.920 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.469 17.828 -4.981 1.00 0.00 H new ATOM 1728 N ILE A 107 6.033 15.336 -3.616 1.00 0.00 N ATOM 1729 CA ILE A 107 6.270 14.377 -2.539 1.00 0.00 C ATOM 1730 C ILE A 107 7.012 13.156 -3.058 1.00 0.00 C ATOM 1731 O ILE A 107 6.401 12.244 -3.621 1.00 0.00 O ATOM 1732 CB ILE A 107 4.946 13.936 -1.888 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.180 12.845 -0.838 1.00 0.00 C ATOM 1734 CG2 ILE A 107 3.968 13.439 -2.944 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.245 13.192 0.095 1.00 0.00 C ATOM 0 H ILE A 107 5.049 15.548 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 107 6.882 14.874 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 107 4.518 14.806 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.257 12.673 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.430 11.910 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.039 13.132 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.762 14.239 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.402 12.589 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.371 12.387 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.176 13.337 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.985 14.112 0.618 1.00 0.00 H new ATOM 1747 N VAL A 108 8.325 13.132 -2.873 1.00 0.00 N ATOM 1748 CA VAL A 108 9.142 12.023 -3.322 1.00 0.00 C ATOM 1749 C VAL A 108 10.068 11.537 -2.218 1.00 0.00 C ATOM 1750 O VAL A 108 10.366 12.264 -1.274 1.00 0.00 O ATOM 1751 CB VAL A 108 9.976 12.399 -4.561 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.687 11.174 -5.119 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.096 13.041 -5.624 1.00 0.00 C ATOM 0 H VAL A 108 8.847 13.877 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 108 8.458 11.218 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 108 10.731 13.125 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.271 11.459 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.350 10.761 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.950 10.424 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.703 13.300 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.316 12.340 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.637 13.944 -5.220 1.00 0.00 H new ATOM 1763 N ILE A 109 10.529 10.295 -2.347 1.00 0.00 N ATOM 1764 CA ILE A 109 11.411 9.700 -1.359 1.00 0.00 C ATOM 1765 C ILE A 109 12.758 10.433 -1.300 1.00 0.00 C ATOM 1766 O ILE A 109 13.518 10.430 -2.267 1.00 0.00 O ATOM 1767 CB ILE A 109 11.633 8.196 -1.649 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.001 7.460 -0.361 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.695 7.979 -2.717 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.804 6.884 0.277 1.00 0.00 C ATOM 0 H ILE A 109 10.302 9.683 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 109 10.926 9.799 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 109 10.699 7.788 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.717 6.668 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.490 8.148 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.822 6.911 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.385 8.464 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.640 8.406 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.093 6.366 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.101 7.681 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.331 6.178 -0.406 1.00 0.00 H new ATOM 1782 N PRO A 110 13.065 11.089 -0.177 1.00 0.00 N ATOM 1783 CA PRO A 110 14.325 11.829 -0.019 1.00 0.00 C ATOM 1784 C PRO A 110 15.525 10.899 0.054 1.00 0.00 C ATOM 1785 O PRO A 110 16.226 10.908 1.065 1.00 0.00 O ATOM 1786 CB PRO A 110 14.114 12.626 1.225 1.00 0.00 C ATOM 1787 CG PRO A 110 12.674 12.469 1.570 1.00 0.00 C ATOM 1788 CD PRO A 110 12.233 11.172 0.956 1.00 0.00 C ATOM 0 HA PRO A 110 14.555 12.469 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.751 12.265 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.365 13.674 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.532 12.456 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.088 13.302 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.379 10.330 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 110 11.177 11.186 0.687 1.00 0.00 H new ATOM 1796 N GLU A 111 15.769 10.096 -0.901 1.00 0.00 N ATOM 1797 CA GLU A 111 16.881 9.162 -0.895 1.00 0.00 C ATOM 1798 C GLU A 111 18.177 9.856 -1.290 1.00 0.00 C ATOM 1799 O GLU A 111 18.820 9.492 -2.271 1.00 0.00 O ATOM 1800 CB GLU A 111 16.596 8.002 -1.856 1.00 0.00 C ATOM 1801 CG GLU A 111 15.659 6.952 -1.275 1.00 0.00 C ATOM 1802 CD GLU A 111 15.192 5.945 -2.312 1.00 0.00 C ATOM 1803 OE1 GLU A 111 15.896 5.781 -3.328 1.00 0.00 O ATOM 1804 OE2 GLU A 111 14.127 5.336 -2.104 1.00 0.00 O ATOM 0 H GLU A 111 15.200 10.047 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 111 16.995 8.773 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.161 8.398 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.538 7.526 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 111 16.166 6.426 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.791 7.447 -0.839 1.00 0.00 H new ATOM 1811 N GLU A 112 18.563 10.864 -0.512 1.00 0.00 N ATOM 1812 CA GLU A 112 19.775 11.614 -0.778 1.00 0.00 C ATOM 1813 C GLU A 112 21.000 10.858 -0.262 1.00 0.00 C ATOM 1814 O GLU A 112 21.948 10.667 -1.050 1.00 0.00 O ATOM 1815 CB GLU A 112 19.715 13.015 -0.143 1.00 0.00 C ATOM 1816 CG GLU A 112 18.548 13.230 0.733 1.00 0.00 C ATOM 1817 CD GLU A 112 18.568 14.606 1.376 1.00 0.00 C ATOM 1818 OE1 GLU A 112 19.654 15.224 1.416 1.00 0.00 O ATOM 1819 OE2 GLU A 112 17.504 15.060 1.839 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.996 10.478 0.848 1.00 0.00 O ATOM 0 H GLU A 112 18.047 11.177 0.310 1.00 0.00 H new ATOM 0 HA GLU A 112 19.860 11.732 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.625 13.179 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.702 13.762 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.632 13.114 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.532 12.466 1.510 1.00 0.00 H new