USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=11 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 Single : A 8 TYR OH : rot 142:sc= -1.24! USER MOD Single : A 10 ASN : amide:sc= -3.7! C(o=-3.7!,f=-3.7!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.22 F(o=-8.8!,f=-2.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 175:sc= -1.82! USER MOD Single : A 28 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.5!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0.172 (180deg=0.00482) USER MOD Single : A 37 SER OG : rot 129:sc= 0.708 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 46 HIS : no HD1:sc= -5.7 K(o=-5.7,f=-8.2!) USER MOD Single : A 48 GLN : amide:sc= -5.29 K(o=-5.3,f=-10!) USER MOD Single : A 61 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 114:sc= -1.3! USER MOD Single : A 72 HIS : no HD1:sc= -7.63! C(o=-7.6!,f=-8.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -5.63! C(o=-5.6!,f=-5.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 145:sc= 0.899 (180deg=-0.62) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 91 THR OG1 : rot 160:sc= -1.49 USER MOD Single : A 93 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.5!) 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 140:sc= -2.18 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -14.527 1.914 -1.765 1.00 0.00 N ATOM 122 CA TYR A 8 -13.942 0.974 -2.675 1.00 0.00 C ATOM 123 C TYR A 8 -14.267 -0.378 -2.259 1.00 0.00 C ATOM 124 O TYR A 8 -15.224 -0.611 -1.515 1.00 0.00 O ATOM 125 CB TYR A 8 -12.424 1.186 -2.722 1.00 0.00 C ATOM 126 CG TYR A 8 -11.735 0.875 -1.412 1.00 0.00 C ATOM 127 CD1 TYR A 8 -11.613 1.841 -0.428 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.213 -0.307 -1.169 1.00 0.00 C ATOM 129 CE1 TYR A 8 -10.988 1.554 0.696 1.00 0.00 C ATOM 130 CE2 TYR A 8 -10.584 -0.598 0.000 1.00 0.00 C ATOM 131 CZ TYR A 8 -10.475 0.301 0.916 1.00 0.00 C ATOM 132 OH TYR A 8 -9.855 0.018 2.108 1.00 0.00 O ATOM 0 HA TYR A 8 -14.344 1.128 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.001 0.557 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.217 2.220 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.028 2.826 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.287 -1.074 -1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.878 2.315 1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.175 -1.584 0.161 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.083 -0.894 2.387 1.00 0.00 H new ATOM 142 N ASP A 9 -13.479 -1.324 -2.744 1.00 0.00 N ATOM 143 CA ASP A 9 -13.685 -2.724 -2.426 1.00 0.00 C ATOM 144 C ASP A 9 -12.440 -3.546 -2.748 1.00 0.00 C ATOM 145 O ASP A 9 -12.252 -3.978 -3.888 1.00 0.00 O ATOM 146 CB ASP A 9 -14.880 -3.265 -3.213 1.00 0.00 C ATOM 147 CG ASP A 9 -15.849 -4.044 -2.346 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.407 -4.613 -1.327 1.00 0.00 O ATOM 149 OD2 ASP A 9 -17.049 -4.084 -2.688 1.00 0.00 O ATOM 0 H ASP A 9 -12.688 -1.144 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.885 -2.807 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.407 -2.434 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.520 -3.908 -4.016 1.00 0.00 H new ATOM 154 N ASN A 10 -11.592 -3.768 -1.747 1.00 0.00 N ATOM 155 CA ASN A 10 -10.377 -4.539 -1.939 1.00 0.00 C ATOM 156 C ASN A 10 -9.811 -5.028 -0.609 1.00 0.00 C ATOM 157 O ASN A 10 -9.955 -6.202 -0.267 1.00 0.00 O ATOM 158 CB ASN A 10 -9.325 -3.708 -2.682 1.00 0.00 C ATOM 159 CG ASN A 10 -8.672 -4.484 -3.807 1.00 0.00 C ATOM 160 OD1 ASN A 10 -9.350 -5.108 -4.623 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.349 -4.441 -3.859 1.00 0.00 N ATOM 0 H ASN A 10 -11.728 -3.423 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.632 -5.411 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.793 -2.810 -3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.560 -3.380 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.851 -4.938 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.828 -3.911 -3.161 1.00 0.00 H new ATOM 168 N ILE A 11 -9.181 -4.128 0.052 1.00 0.00 N ATOM 169 CA ILE A 11 -8.603 -4.470 1.344 1.00 0.00 C ATOM 170 C ILE A 11 -9.063 -3.500 2.417 1.00 0.00 C ATOM 171 O ILE A 11 -9.701 -2.491 2.118 1.00 0.00 O ATOM 172 CB ILE A 11 -7.058 -4.475 1.305 1.00 0.00 C ATOM 173 CG1 ILE A 11 -6.540 -4.348 -0.063 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.506 -5.733 1.961 1.00 0.00 C ATOM 175 CD1 ILE A 11 -5.029 -4.294 -0.158 1.00 0.00 C ATOM 0 H ILE A 11 -9.042 -3.164 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.949 -5.476 1.582 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.722 -3.604 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.899 -5.191 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.953 -3.445 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.417 -5.716 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.832 -5.774 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.874 -6.611 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.733 -4.200 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.660 -3.435 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.605 -5.208 0.258 1.00 0.00 H new ATOM 187 N ASN A 12 -8.726 -3.793 3.665 1.00 0.00 N ATOM 188 CA ASN A 12 -9.099 -2.926 4.774 1.00 0.00 C ATOM 189 C ASN A 12 -8.183 -1.709 4.812 1.00 0.00 C ATOM 190 O ASN A 12 -7.545 -1.425 5.819 1.00 0.00 O ATOM 191 CB ASN A 12 -9.017 -3.688 6.097 1.00 0.00 C ATOM 192 CG ASN A 12 -10.329 -4.365 6.459 1.00 0.00 C ATOM 193 OD1 ASN A 12 -10.555 -5.529 6.135 1.00 0.00 O ATOM 194 ND2 ASN A 12 -11.205 -3.630 7.140 1.00 0.00 N ATOM 0 H ASN A 12 -8.196 -4.622 3.935 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.127 -2.593 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.230 -4.439 6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.735 -2.999 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.103 -4.029 7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.978 -2.667 7.389 1.00 0.00 H new ATOM 201 N LEU A 13 -8.122 -0.990 3.689 1.00 0.00 N ATOM 202 CA LEU A 13 -7.280 0.110 3.580 1.00 0.00 C ATOM 203 C LEU A 13 -7.985 1.337 4.122 1.00 0.00 C ATOM 204 O LEU A 13 -8.091 2.368 3.464 1.00 0.00 O ATOM 205 CB LEU A 13 -6.870 0.329 2.126 1.00 0.00 C ATOM 206 CG LEU A 13 -5.662 -0.411 1.679 1.00 0.00 C ATOM 207 CD1 LEU A 13 -5.695 -0.632 0.171 1.00 0.00 C ATOM 208 CD2 LEU A 13 -4.369 0.185 2.095 1.00 0.00 C ATOM 0 H LEU A 13 -8.672 -1.188 2.853 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.376 -0.072 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.705 0.045 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.698 1.394 1.973 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.709 -1.369 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.802 -1.176 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.581 -1.210 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.726 0.332 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.549 -0.428 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.285 1.192 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.322 0.229 3.183 1.00 0.00 H new ATOM 220 N ASP A 14 -8.444 1.211 5.353 1.00 0.00 N ATOM 221 CA ASP A 14 -9.114 2.289 6.046 1.00 0.00 C ATOM 222 C ASP A 14 -8.511 2.419 7.427 1.00 0.00 C ATOM 223 O ASP A 14 -7.880 3.426 7.764 1.00 0.00 O ATOM 224 CB ASP A 14 -10.618 2.019 6.147 1.00 0.00 C ATOM 225 CG ASP A 14 -11.366 3.134 6.841 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.411 4.255 6.291 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.902 2.892 7.945 1.00 0.00 O ATOM 0 H ASP A 14 -8.361 0.354 5.900 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.981 3.217 5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.026 1.882 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.780 1.087 6.688 1.00 0.00 H new ATOM 232 N GLU A 15 -8.670 1.372 8.226 1.00 0.00 N ATOM 233 CA GLU A 15 -8.114 1.340 9.562 1.00 0.00 C ATOM 234 C GLU A 15 -6.596 1.410 9.497 1.00 0.00 C ATOM 235 O GLU A 15 -5.950 1.834 10.460 1.00 0.00 O ATOM 236 CB GLU A 15 -8.547 0.069 10.294 1.00 0.00 C ATOM 237 CG GLU A 15 -8.100 -1.130 9.607 1.00 0.00 C ATOM 238 CD GLU A 15 -8.463 -2.376 10.393 1.00 0.00 C ATOM 239 OE1 GLU A 15 -7.808 -2.636 11.423 1.00 0.00 O ATOM 240 OE2 GLU A 15 -9.402 -3.087 9.977 1.00 0.00 O ATOM 0 H GLU A 15 -9.184 0.531 7.965 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.488 2.203 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.145 0.078 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.633 0.053 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.553 -1.176 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.020 -1.089 9.462 1.00 0.00 H new ATOM 247 N ILE A 16 -6.019 1.014 8.363 1.00 0.00 N ATOM 248 CA ILE A 16 -4.571 1.053 8.198 1.00 0.00 C ATOM 249 C ILE A 16 -4.106 2.447 7.808 1.00 0.00 C ATOM 250 O ILE A 16 -2.927 2.778 7.957 1.00 0.00 O ATOM 251 CB ILE A 16 -4.091 0.053 7.138 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.690 -1.252 7.398 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.570 0.000 7.126 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.635 -2.171 6.196 1.00 0.00 C ATOM 0 H ILE A 16 -6.530 0.665 7.552 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.139 0.778 9.160 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.409 0.373 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.174 -1.724 8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.729 -1.117 7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.237 -0.712 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.173 0.988 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.209 -0.314 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.095 -3.127 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.175 -1.716 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.596 -2.333 5.909 1.00 0.00 H new ATOM 266 N LEU A 17 -5.031 3.271 7.324 1.00 0.00 N ATOM 267 CA LEU A 17 -4.704 4.634 6.928 1.00 0.00 C ATOM 268 C LEU A 17 -5.339 5.646 7.884 1.00 0.00 C ATOM 269 O LEU A 17 -5.199 6.857 7.704 1.00 0.00 O ATOM 270 CB LEU A 17 -5.170 4.881 5.489 1.00 0.00 C ATOM 271 CG LEU A 17 -5.220 6.344 5.045 1.00 0.00 C ATOM 272 CD1 LEU A 17 -3.883 7.029 5.307 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.593 6.453 3.578 1.00 0.00 C ATOM 0 H LEU A 17 -6.011 3.018 7.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.623 4.764 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.507 4.339 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.165 4.451 5.371 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.989 6.849 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.938 8.069 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.657 6.991 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.097 6.518 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.622 7.503 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.852 5.929 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.574 6.005 3.418 1.00 0.00 H new ATOM 285 N ALA A 18 -6.042 5.141 8.897 1.00 0.00 N ATOM 286 CA ALA A 18 -6.693 6.001 9.876 1.00 0.00 C ATOM 287 C ALA A 18 -5.681 6.899 10.579 1.00 0.00 C ATOM 288 O ALA A 18 -5.996 8.039 10.925 1.00 0.00 O ATOM 289 CB ALA A 18 -7.453 5.159 10.893 1.00 0.00 C ATOM 0 H ALA A 18 -6.173 4.142 9.058 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.400 6.641 9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.935 5.813 11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.210 4.565 10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.758 4.495 11.408 1.00 0.00 H new ATOM 295 N ASN A 19 -4.476 6.387 10.794 1.00 0.00 N ATOM 296 CA ASN A 19 -3.432 7.161 11.464 1.00 0.00 C ATOM 297 C ASN A 19 -2.036 6.678 11.077 1.00 0.00 C ATOM 298 O ASN A 19 -1.831 5.515 10.699 1.00 0.00 O ATOM 299 CB ASN A 19 -3.608 7.102 12.984 1.00 0.00 C ATOM 300 CG ASN A 19 -4.228 5.805 13.463 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.428 4.741 13.467 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -5.404 5.753 13.820 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.196 5.446 10.517 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.532 8.195 11.135 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.636 7.231 13.461 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.233 7.936 13.304 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.981 6.594 13.800 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.803 4.869 14.136 1.00 0.00 H new ATOM 309 N LYS A 20 -1.072 7.591 11.184 1.00 0.00 N ATOM 310 CA LYS A 20 0.239 7.296 10.853 1.00 0.00 C ATOM 311 C LYS A 20 0.729 6.092 11.640 1.00 0.00 C ATOM 312 O LYS A 20 1.341 5.186 11.088 1.00 0.00 O ATOM 313 CB LYS A 20 1.160 8.496 11.126 1.00 0.00 C ATOM 314 CG LYS A 20 0.453 9.818 11.343 1.00 0.00 C ATOM 315 CD LYS A 20 0.000 9.966 12.773 1.00 0.00 C ATOM 316 CE LYS A 20 0.861 10.903 13.575 1.00 0.00 C ATOM 317 NZ LYS A 20 0.653 10.754 15.041 1.00 0.00 N ATOM 0 H LYS A 20 -1.223 8.546 11.508 1.00 0.00 H new ATOM 0 HA LYS A 20 0.268 7.066 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.764 8.277 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.847 8.604 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.123 10.638 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.407 9.887 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.028 10.328 12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.001 8.986 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.909 10.719 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.644 11.930 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.269 11.421 15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.341 10.955 15.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.885 9.782 15.328 1.00 0.00 H new ATOM 331 N ARG A 21 0.457 6.087 12.939 1.00 0.00 N ATOM 332 CA ARG A 21 0.890 4.988 13.798 1.00 0.00 C ATOM 333 C ARG A 21 0.519 3.631 13.197 1.00 0.00 C ATOM 334 O ARG A 21 1.165 2.624 13.480 1.00 0.00 O ATOM 335 CB ARG A 21 0.273 5.128 15.188 1.00 0.00 C ATOM 336 CG ARG A 21 -1.142 5.363 15.178 1.00 0.00 C ATOM 337 CD ARG A 21 -1.610 6.053 16.448 1.00 0.00 C ATOM 338 NE ARG A 21 -1.658 5.137 17.586 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.621 4.248 17.784 1.00 0.00 C ATOM 340 NH1 ARG A 21 -3.630 4.147 16.922 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.584 3.446 18.843 1.00 0.00 N ATOM 0 H ARG A 21 -0.057 6.825 13.420 1.00 0.00 H new ATOM 0 HA ARG A 21 1.976 5.037 13.880 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.476 4.221 15.757 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.763 5.949 15.711 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.402 5.976 14.315 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.667 4.414 15.066 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.940 6.881 16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.600 6.480 16.285 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.903 5.185 18.271 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.665 4.755 16.104 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.368 3.461 17.079 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.813 3.513 19.507 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.327 2.763 18.992 1.00 0.00 H new ATOM 355 N LEU A 22 -0.438 3.614 12.369 1.00 0.00 N ATOM 356 CA LEU A 22 -0.875 2.366 11.743 1.00 0.00 C ATOM 357 C LEU A 22 -0.269 2.191 10.362 1.00 0.00 C ATOM 358 O LEU A 22 0.427 1.256 10.138 1.00 0.00 O ATOM 359 CB LEU A 22 -2.403 2.317 11.670 1.00 0.00 C ATOM 360 CG LEU A 22 -3.077 1.488 12.768 1.00 0.00 C ATOM 361 CD1 LEU A 22 -2.467 1.800 14.130 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.579 1.738 12.782 1.00 0.00 C ATOM 0 H LEU A 22 -0.963 4.440 12.082 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.524 1.541 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.787 3.336 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.693 1.912 10.700 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.907 0.433 12.553 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.960 1.201 14.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.403 1.565 14.115 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.601 2.858 14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.040 1.140 13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.770 2.795 12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.003 1.458 11.818 1.00 0.00 H new ATOM 374 N LEU A 23 -0.596 3.085 9.438 1.00 0.00 N ATOM 375 CA LEU A 23 -0.051 2.997 8.089 1.00 0.00 C ATOM 376 C LEU A 23 1.391 2.893 8.163 1.00 0.00 C ATOM 377 O LEU A 23 2.022 2.136 7.419 1.00 0.00 O ATOM 378 CB LEU A 23 -0.451 4.215 7.252 1.00 0.00 C ATOM 379 CG LEU A 23 -0.236 5.563 7.934 1.00 0.00 C ATOM 380 CD1 LEU A 23 0.913 6.253 7.370 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.464 6.447 7.776 1.00 0.00 C ATOM 0 H LEU A 23 -1.228 3.870 9.594 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.459 2.111 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.117 4.200 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.504 4.124 6.984 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.058 5.369 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.045 7.211 7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.807 5.644 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.750 6.422 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.290 7.403 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.657 6.615 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.326 5.957 8.229 1.00 0.00 H new ATOM 393 N VAL A 24 1.965 3.649 9.090 1.00 0.00 N ATOM 394 CA VAL A 24 3.400 3.649 9.293 1.00 0.00 C ATOM 395 C VAL A 24 3.846 2.327 9.901 1.00 0.00 C ATOM 396 O VAL A 24 4.814 1.721 9.442 1.00 0.00 O ATOM 397 CB VAL A 24 3.854 4.801 10.212 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.360 4.751 10.437 1.00 0.00 C ATOM 399 CG2 VAL A 24 3.445 6.144 9.620 1.00 0.00 C ATOM 0 H VAL A 24 1.452 4.272 9.714 1.00 0.00 H new ATOM 0 HA VAL A 24 3.860 3.788 8.315 1.00 0.00 H new ATOM 0 HB VAL A 24 3.363 4.684 11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.658 5.573 11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.627 3.803 10.904 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.874 4.841 9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.772 6.947 10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.909 6.267 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.361 6.180 9.515 1.00 0.00 H new ATOM 409 N ALA A 25 3.128 1.874 10.928 1.00 0.00 N ATOM 410 CA ALA A 25 3.460 0.613 11.580 1.00 0.00 C ATOM 411 C ALA A 25 3.663 -0.403 10.549 1.00 0.00 C ATOM 412 O ALA A 25 4.671 -1.110 10.570 1.00 0.00 O ATOM 413 CB ALA A 25 2.376 0.221 12.573 1.00 0.00 C ATOM 0 H ALA A 25 2.321 2.358 11.322 1.00 0.00 H new ATOM 0 HA ALA A 25 4.381 0.714 12.154 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.643 -0.723 13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.281 0.997 13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.427 0.108 12.049 1.00 0.00 H new ATOM 419 N TYR A 26 2.719 -0.520 9.619 1.00 0.00 N ATOM 420 CA TYR A 26 2.834 -1.515 8.565 1.00 0.00 C ATOM 421 C TYR A 26 4.027 -1.153 7.685 1.00 0.00 C ATOM 422 O TYR A 26 4.819 -2.017 7.319 1.00 0.00 O ATOM 423 CB TYR A 26 1.551 -1.593 7.730 1.00 0.00 C ATOM 424 CG TYR A 26 0.944 -2.985 7.668 1.00 0.00 C ATOM 425 CD1 TYR A 26 0.990 -3.841 8.761 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.318 -3.428 6.515 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.429 -5.098 8.709 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.173 -4.692 6.455 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.115 -5.517 7.552 1.00 0.00 C ATOM 430 OH TYR A 26 -0.677 -6.775 7.498 1.00 0.00 O ATOM 0 H TYR A 26 1.878 0.055 9.576 1.00 0.00 H new ATOM 0 HA TYR A 26 2.986 -2.497 9.012 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.816 -0.904 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.767 -1.255 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.475 -3.515 9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.221 -2.769 5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.426 -5.735 9.581 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.613 -5.052 5.537 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.100 -6.907 6.624 1.00 0.00 H new ATOM 440 N VAL A 27 4.160 0.052 7.378 1.00 0.00 N ATOM 441 CA VAL A 27 5.274 0.524 6.572 1.00 0.00 C ATOM 442 C VAL A 27 6.594 0.142 7.218 1.00 0.00 C ATOM 443 O VAL A 27 7.492 -0.309 6.559 1.00 0.00 O ATOM 444 CB VAL A 27 5.230 2.061 6.369 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.489 2.552 5.668 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.985 2.462 5.595 1.00 0.00 C ATOM 0 H VAL A 27 3.510 0.784 7.663 1.00 0.00 H new ATOM 0 HA VAL A 27 5.188 0.047 5.596 1.00 0.00 H new ATOM 0 HB VAL A 27 5.188 2.534 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.435 3.633 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.362 2.303 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.573 2.072 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.972 3.544 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.991 1.977 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.098 2.153 6.148 1.00 0.00 H new ATOM 456 N ASN A 28 6.713 0.378 8.524 1.00 0.00 N ATOM 457 CA ASN A 28 7.918 0.027 9.247 1.00 0.00 C ATOM 458 C ASN A 28 8.077 -1.402 9.217 1.00 0.00 C ATOM 459 O ASN A 28 9.149 -1.927 8.950 1.00 0.00 O ATOM 460 CB ASN A 28 7.857 0.526 10.689 1.00 0.00 C ATOM 461 CG ASN A 28 8.521 1.876 10.860 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.857 2.545 9.884 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.714 2.288 12.109 1.00 0.00 N ATOM 0 H ASN A 28 5.987 0.810 9.095 1.00 0.00 H new ATOM 0 HA ASN A 28 8.774 0.504 8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.816 0.594 11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.341 -0.200 11.343 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.156 3.190 12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.420 1.702 12.890 1.00 0.00 H new ATOM 470 N CYS A 29 6.968 -2.091 9.467 1.00 0.00 N ATOM 471 CA CYS A 29 6.946 -3.543 9.442 1.00 0.00 C ATOM 472 C CYS A 29 7.430 -4.053 8.087 1.00 0.00 C ATOM 473 O CYS A 29 7.961 -5.156 7.979 1.00 0.00 O ATOM 474 CB CYS A 29 5.530 -4.051 9.720 1.00 0.00 C ATOM 475 SG CYS A 29 5.385 -5.091 11.207 1.00 0.00 S ATOM 0 H CYS A 29 6.070 -1.661 9.690 1.00 0.00 H new ATOM 0 HA CYS A 29 7.614 -3.919 10.217 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.863 -3.195 9.823 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.185 -4.621 8.857 1.00 0.00 H new ATOM 480 N VAL A 30 7.243 -3.233 7.047 1.00 0.00 N ATOM 481 CA VAL A 30 7.652 -3.606 5.703 1.00 0.00 C ATOM 482 C VAL A 30 9.170 -3.557 5.540 1.00 0.00 C ATOM 483 O VAL A 30 9.709 -4.051 4.547 1.00 0.00 O ATOM 484 CB VAL A 30 6.994 -2.705 4.638 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.422 -3.117 3.235 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.476 -2.739 4.774 1.00 0.00 C ATOM 0 H VAL A 30 6.812 -2.311 7.117 1.00 0.00 H new ATOM 0 HA VAL A 30 7.316 -4.632 5.553 1.00 0.00 H new ATOM 0 HB VAL A 30 7.330 -1.681 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.944 -2.466 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.505 -3.031 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.124 -4.149 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.028 -2.098 4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.122 -3.761 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.191 -2.382 5.764 1.00 0.00 H new ATOM 496 N MET A 31 9.864 -2.967 6.516 1.00 0.00 N ATOM 497 CA MET A 31 11.313 -2.871 6.457 1.00 0.00 C ATOM 498 C MET A 31 11.880 -2.327 7.767 1.00 0.00 C ATOM 499 O MET A 31 12.678 -1.392 7.764 1.00 0.00 O ATOM 500 CB MET A 31 11.745 -1.977 5.290 1.00 0.00 C ATOM 501 CG MET A 31 12.034 -2.747 4.012 1.00 0.00 C ATOM 502 SD MET A 31 13.474 -2.113 3.131 1.00 0.00 S ATOM 503 CE MET A 31 14.793 -3.007 3.945 1.00 0.00 C ATOM 0 H MET A 31 9.444 -2.553 7.348 1.00 0.00 H new ATOM 0 HA MET A 31 11.708 -3.875 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.962 -1.245 5.094 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.637 -1.421 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.194 -3.798 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.163 -2.699 3.359 1.00 0.00 H new ATOM 0 HE1 MET A 31 15.750 -2.721 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.793 -2.767 5.008 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.641 -4.078 3.815 1.00 0.00 H new ATOM 513 N GLU A 32 11.445 -2.910 8.884 1.00 0.00 N ATOM 514 CA GLU A 32 11.912 -2.461 10.187 1.00 0.00 C ATOM 515 C GLU A 32 12.938 -3.421 10.778 1.00 0.00 C ATOM 516 O GLU A 32 14.144 -3.234 10.618 1.00 0.00 O ATOM 517 CB GLU A 32 10.735 -2.268 11.149 1.00 0.00 C ATOM 518 CG GLU A 32 11.145 -1.994 12.585 1.00 0.00 C ATOM 519 CD GLU A 32 12.119 -0.842 12.696 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.667 0.241 12.701 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.340 -1.103 12.777 1.00 0.00 O ATOM 0 H GLU A 32 10.780 -3.683 8.910 1.00 0.00 H new ATOM 0 HA GLU A 32 12.405 -1.499 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.122 -1.440 10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.110 -3.161 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.257 -1.774 13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.597 -2.891 13.008 1.00 0.00 H new ATOM 528 N ARG A 33 12.456 -4.448 11.466 1.00 0.00 N ATOM 529 CA ARG A 33 13.334 -5.426 12.086 1.00 0.00 C ATOM 530 C ARG A 33 13.187 -6.786 11.418 1.00 0.00 C ATOM 531 O ARG A 33 13.460 -7.820 12.024 1.00 0.00 O ATOM 532 CB ARG A 33 13.021 -5.547 13.575 1.00 0.00 C ATOM 533 CG ARG A 33 13.577 -4.405 14.405 1.00 0.00 C ATOM 534 CD ARG A 33 15.095 -4.451 14.476 1.00 0.00 C ATOM 535 NE ARG A 33 15.683 -3.119 14.457 1.00 0.00 N ATOM 536 CZ ARG A 33 15.733 -2.313 15.513 1.00 0.00 C ATOM 537 NH1 ARG A 33 15.227 -2.703 16.678 1.00 0.00 N ATOM 538 NH2 ARG A 33 16.292 -1.111 15.406 1.00 0.00 N ATOM 0 H ARG A 33 11.461 -4.623 11.608 1.00 0.00 H new ATOM 0 HA ARG A 33 14.362 -5.086 11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.940 -5.590 13.709 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.426 -6.488 13.948 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.261 -3.455 13.975 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.164 -4.452 15.412 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.400 -4.969 15.385 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.480 -5.029 13.636 1.00 0.00 H new ATOM 0 HE ARG A 33 16.081 -2.784 13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.798 -3.624 16.765 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.268 -2.081 17.485 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.682 -0.808 14.514 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.330 -0.492 16.216 1.00 0.00 H new ATOM 552 N GLY A 34 12.740 -6.768 10.169 1.00 0.00 N ATOM 553 CA GLY A 34 12.551 -8.013 9.448 1.00 0.00 C ATOM 554 C GLY A 34 11.208 -8.642 9.744 1.00 0.00 C ATOM 555 O GLY A 34 10.480 -8.149 10.604 1.00 0.00 O ATOM 0 H GLY A 34 12.507 -5.924 9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.636 -7.828 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.345 -8.711 9.715 1.00 0.00 H new ATOM 559 N LYS A 35 10.864 -9.708 9.027 1.00 0.00 N ATOM 560 CA LYS A 35 9.578 -10.380 9.220 1.00 0.00 C ATOM 561 C LYS A 35 8.449 -9.363 9.147 1.00 0.00 C ATOM 562 O LYS A 35 8.691 -8.173 8.973 1.00 0.00 O ATOM 563 CB LYS A 35 9.561 -11.141 10.558 1.00 0.00 C ATOM 564 CG LYS A 35 8.902 -10.395 11.712 1.00 0.00 C ATOM 565 CD LYS A 35 9.597 -10.681 13.032 1.00 0.00 C ATOM 566 CE LYS A 35 11.019 -10.141 13.044 1.00 0.00 C ATOM 567 NZ LYS A 35 11.130 -8.884 13.841 1.00 0.00 N ATOM 0 H LYS A 35 11.455 -10.126 8.308 1.00 0.00 H new ATOM 0 HA LYS A 35 9.433 -11.111 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.042 -12.089 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.587 -11.379 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.924 -9.324 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.854 -10.685 11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.030 -10.232 13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.614 -11.756 13.210 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.690 -10.894 13.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.344 -9.952 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.866 -8.276 13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.219 -8.383 13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.383 -9.117 14.823 1.00 0.00 H new ATOM 581 N CYS A 36 7.207 -9.833 9.260 1.00 0.00 N ATOM 582 CA CYS A 36 6.057 -8.949 9.188 1.00 0.00 C ATOM 583 C CYS A 36 5.916 -8.390 7.776 1.00 0.00 C ATOM 584 O CYS A 36 4.879 -8.547 7.133 1.00 0.00 O ATOM 585 CB CYS A 36 6.206 -7.822 10.208 1.00 0.00 C ATOM 586 SG CYS A 36 4.689 -6.854 10.489 1.00 0.00 S ATOM 0 H CYS A 36 6.978 -10.817 9.401 1.00 0.00 H new ATOM 0 HA CYS A 36 5.153 -9.511 9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.531 -8.248 11.157 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.995 -7.148 9.874 1.00 0.00 H new ATOM 591 N SER A 37 6.983 -7.752 7.279 1.00 0.00 N ATOM 592 CA SER A 37 6.993 -7.195 5.930 1.00 0.00 C ATOM 593 C SER A 37 6.457 -8.209 4.934 1.00 0.00 C ATOM 594 O SER A 37 5.467 -7.949 4.250 1.00 0.00 O ATOM 595 CB SER A 37 8.418 -6.786 5.545 1.00 0.00 C ATOM 596 OG SER A 37 8.538 -6.607 4.145 1.00 0.00 O ATOM 0 H SER A 37 7.851 -7.611 7.796 1.00 0.00 H new ATOM 0 HA SER A 37 6.351 -6.315 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.685 -5.861 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.121 -7.549 5.878 1.00 0.00 H new ATOM 0 HG SER A 37 8.945 -5.735 3.960 1.00 0.00 H new ATOM 602 N PRO A 38 7.089 -9.397 4.840 1.00 0.00 N ATOM 603 CA PRO A 38 6.644 -10.447 3.931 1.00 0.00 C ATOM 604 C PRO A 38 5.265 -10.960 4.317 1.00 0.00 C ATOM 605 O PRO A 38 4.504 -11.417 3.466 1.00 0.00 O ATOM 606 CB PRO A 38 7.701 -11.550 4.101 1.00 0.00 C ATOM 607 CG PRO A 38 8.297 -11.295 5.439 1.00 0.00 C ATOM 608 CD PRO A 38 8.263 -9.807 5.628 1.00 0.00 C ATOM 0 HA PRO A 38 6.554 -10.098 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.251 -12.541 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.455 -11.501 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.731 -11.801 6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.319 -11.672 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.158 -9.536 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.176 -9.334 5.267 1.00 0.00 H new ATOM 616 N GLU A 39 4.948 -10.874 5.603 1.00 0.00 N ATOM 617 CA GLU A 39 3.652 -11.317 6.100 1.00 0.00 C ATOM 618 C GLU A 39 2.535 -10.498 5.462 1.00 0.00 C ATOM 619 O GLU A 39 2.017 -10.879 4.411 1.00 0.00 O ATOM 620 CB GLU A 39 3.593 -11.220 7.628 1.00 0.00 C ATOM 621 CG GLU A 39 3.835 -12.539 8.330 1.00 0.00 C ATOM 622 CD GLU A 39 2.626 -13.011 9.111 1.00 0.00 C ATOM 623 OE1 GLU A 39 2.307 -12.387 10.148 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.002 -14.015 8.698 1.00 0.00 O ATOM 0 H GLU A 39 5.570 -10.502 6.320 1.00 0.00 H new ATOM 0 HA GLU A 39 3.515 -12.363 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.335 -10.497 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.616 -10.836 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.105 -13.295 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.683 -12.436 9.007 1.00 0.00 H new ATOM 631 N GLY A 40 2.165 -9.370 6.096 1.00 0.00 N ATOM 632 CA GLY A 40 1.102 -8.511 5.577 1.00 0.00 C ATOM 633 C GLY A 40 0.201 -9.224 4.599 1.00 0.00 C ATOM 634 O GLY A 40 0.061 -8.803 3.446 1.00 0.00 O ATOM 0 H GLY A 40 2.588 -9.039 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.505 -8.137 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.547 -7.644 5.089 1.00 0.00 H new ATOM 638 N LYS A 41 -0.297 -10.341 5.049 1.00 0.00 N ATOM 639 CA LYS A 41 -1.158 -11.174 4.231 1.00 0.00 C ATOM 640 C LYS A 41 -2.150 -10.352 3.422 1.00 0.00 C ATOM 641 O LYS A 41 -2.405 -10.648 2.263 1.00 0.00 O ATOM 642 CB LYS A 41 -1.905 -12.178 5.107 1.00 0.00 C ATOM 643 CG LYS A 41 -2.676 -13.223 4.312 1.00 0.00 C ATOM 644 CD LYS A 41 -1.786 -14.383 3.908 1.00 0.00 C ATOM 645 CE LYS A 41 -2.537 -15.703 3.958 1.00 0.00 C ATOM 646 NZ LYS A 41 -1.666 -16.824 4.404 1.00 0.00 N ATOM 0 H LYS A 41 -0.124 -10.705 5.986 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.520 -11.707 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.191 -12.682 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.599 -11.639 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.510 -13.593 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.102 -12.762 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.405 -14.217 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.922 -14.429 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.386 -15.612 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.940 -15.928 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.218 -17.705 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.870 -16.929 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.301 -16.622 5.357 1.00 0.00 H new ATOM 660 N GLU A 42 -2.713 -9.326 4.041 1.00 0.00 N ATOM 661 CA GLU A 42 -3.684 -8.480 3.356 1.00 0.00 C ATOM 662 C GLU A 42 -3.070 -7.835 2.122 1.00 0.00 C ATOM 663 O GLU A 42 -3.692 -7.798 1.057 1.00 0.00 O ATOM 664 CB GLU A 42 -4.220 -7.405 4.305 1.00 0.00 C ATOM 665 CG GLU A 42 -5.733 -7.379 4.408 1.00 0.00 C ATOM 666 CD GLU A 42 -6.257 -8.286 5.505 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.154 -7.901 6.692 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.778 -9.378 5.178 1.00 0.00 O ATOM 0 H GLU A 42 -2.519 -9.059 5.006 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.513 -9.110 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.800 -7.568 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.871 -6.429 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.063 -6.358 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.164 -7.682 3.454 1.00 0.00 H new ATOM 675 N LEU A 43 -1.851 -7.348 2.260 1.00 0.00 N ATOM 676 CA LEU A 43 -1.163 -6.721 1.149 1.00 0.00 C ATOM 677 C LEU A 43 -0.750 -7.772 0.125 1.00 0.00 C ATOM 678 O LEU A 43 -0.874 -7.557 -0.992 1.00 0.00 O ATOM 679 CB LEU A 43 0.016 -5.964 1.635 1.00 0.00 C ATOM 680 CG LEU A 43 -0.155 -5.137 2.894 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.998 -5.184 3.785 1.00 0.00 C ATOM 682 CD2 LEU A 43 -0.503 -3.705 2.529 1.00 0.00 C ATOM 0 H LEU A 43 -1.318 -7.375 3.129 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.842 -6.019 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.825 -6.674 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.341 -5.298 0.836 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.977 -5.582 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.804 -4.569 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.177 -6.214 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.877 -4.804 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.624 -3.117 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.298 -3.278 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.433 -3.690 1.961 1.00 0.00 H new ATOM 694 N LYS A 44 -0.283 -8.908 0.616 1.00 0.00 N ATOM 695 CA LYS A 44 0.081 -9.993 -0.187 1.00 0.00 C ATOM 696 C LYS A 44 -1.068 -10.728 -0.747 1.00 0.00 C ATOM 697 O LYS A 44 -0.957 -11.437 -1.742 1.00 0.00 O ATOM 698 CB LYS A 44 0.970 -10.967 0.483 1.00 0.00 C ATOM 699 CG LYS A 44 1.719 -11.921 -0.361 1.00 0.00 C ATOM 700 CD LYS A 44 2.479 -12.977 0.352 1.00 0.00 C ATOM 701 CE LYS A 44 1.543 -14.061 0.874 1.00 0.00 C ATOM 702 NZ LYS A 44 1.438 -15.203 -0.011 1.00 0.00 N ATOM 0 H LYS A 44 -0.155 -9.075 1.614 1.00 0.00 H new ATOM 0 HA LYS A 44 0.631 -9.516 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.693 -10.406 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.365 -11.544 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.014 -12.405 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.417 -11.356 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.214 -13.419 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.031 -12.536 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.896 -14.397 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.551 -13.634 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.788 -15.903 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.074 -14.894 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.377 -15.633 -0.135 1.00 0.00 H new ATOM 716 N GLU A 45 -2.220 -10.547 -0.122 1.00 0.00 N ATOM 717 CA GLU A 45 -3.433 -11.192 -0.562 1.00 0.00 C ATOM 718 C GLU A 45 -4.149 -10.308 -1.577 1.00 0.00 C ATOM 719 O GLU A 45 -4.825 -10.804 -2.474 1.00 0.00 O ATOM 720 CB GLU A 45 -4.346 -11.487 0.552 1.00 0.00 C ATOM 721 CG GLU A 45 -5.793 -11.736 0.170 1.00 0.00 C ATOM 722 CD GLU A 45 -6.412 -12.880 0.954 1.00 0.00 C ATOM 723 OE1 GLU A 45 -6.043 -13.057 2.133 1.00 0.00 O ATOM 724 OE2 GLU A 45 -7.272 -13.592 0.387 1.00 0.00 O ATOM 0 H GLU A 45 -2.334 -9.952 0.698 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.146 -12.140 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.973 -12.364 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.313 -10.654 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.372 -10.828 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.851 -11.957 -0.896 1.00 0.00 H new ATOM 731 N HIS A 46 -4.004 -8.993 -1.422 1.00 0.00 N ATOM 732 CA HIS A 46 -4.648 -8.053 -2.321 1.00 0.00 C ATOM 733 C HIS A 46 -3.657 -7.242 -3.159 1.00 0.00 C ATOM 734 O HIS A 46 -4.074 -6.394 -3.943 1.00 0.00 O ATOM 735 CB HIS A 46 -5.543 -7.103 -1.521 1.00 0.00 C ATOM 736 CG HIS A 46 -6.796 -7.749 -1.018 1.00 0.00 C ATOM 737 ND1 HIS A 46 -6.838 -8.530 0.038 1.00 0.00 N ATOM 738 CD2 HIS A 46 -8.063 -7.734 -1.503 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.071 -8.968 0.226 1.00 0.00 C ATOM 740 NE2 HIS A 46 -8.831 -8.497 -0.660 1.00 0.00 N ATOM 0 H HIS A 46 -3.448 -8.561 -0.684 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.242 -8.643 -3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.979 -6.712 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.808 -6.252 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.404 -7.217 -2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.380 -9.631 1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.836 -8.654 -0.737 1.00 0.00 H new ATOM 749 N LEU A 47 -2.354 -7.500 -3.020 1.00 0.00 N ATOM 750 CA LEU A 47 -1.371 -6.753 -3.813 1.00 0.00 C ATOM 751 C LEU A 47 0.009 -7.206 -3.539 1.00 0.00 C ATOM 752 O LEU A 47 0.641 -6.727 -2.617 1.00 0.00 O ATOM 753 CB LEU A 47 -1.505 -5.250 -3.538 1.00 0.00 C ATOM 754 CG LEU A 47 -1.346 -4.340 -4.761 1.00 0.00 C ATOM 755 CD1 LEU A 47 -2.265 -4.792 -5.886 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.632 -2.895 -4.385 1.00 0.00 C ATOM 0 H LEU A 47 -1.962 -8.197 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.576 -6.944 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.483 -5.065 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.759 -4.966 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.316 -4.409 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.138 -4.134 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.016 -5.814 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.301 -4.752 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.515 -2.260 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.652 -2.812 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.934 -2.575 -3.611 1.00 0.00 H new ATOM 768 N GLN A 48 0.454 -8.116 -4.388 1.00 0.00 N ATOM 769 CA GLN A 48 1.805 -8.653 -4.308 1.00 0.00 C ATOM 770 C GLN A 48 1.949 -9.777 -5.319 1.00 0.00 C ATOM 771 O GLN A 48 2.978 -9.918 -5.971 1.00 0.00 O ATOM 772 CB GLN A 48 2.118 -9.172 -2.906 1.00 0.00 C ATOM 773 CG GLN A 48 3.534 -8.869 -2.449 1.00 0.00 C ATOM 774 CD GLN A 48 3.726 -7.414 -2.076 1.00 0.00 C ATOM 775 OE1 GLN A 48 4.678 -6.765 -2.520 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.830 -6.891 -1.258 1.00 0.00 N ATOM 0 H GLN A 48 -0.105 -8.503 -5.148 1.00 0.00 H new ATOM 0 HA GLN A 48 2.511 -7.853 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.415 -8.732 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.960 -10.250 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.777 -9.495 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.232 -9.132 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.058 -7.463 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.910 -5.916 -0.970 1.00 0.00 H new ATOM 785 N ASP A 49 0.874 -10.549 -5.469 1.00 0.00 N ATOM 786 CA ASP A 49 0.842 -11.646 -6.419 1.00 0.00 C ATOM 787 C ASP A 49 0.194 -11.191 -7.723 1.00 0.00 C ATOM 788 O ASP A 49 0.170 -11.930 -8.702 1.00 0.00 O ATOM 789 CB ASP A 49 0.103 -12.837 -5.837 1.00 0.00 C ATOM 790 CG ASP A 49 0.698 -14.166 -6.223 1.00 0.00 C ATOM 791 OD1 ASP A 49 0.361 -14.676 -7.312 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.510 -14.693 -5.434 1.00 0.00 O ATOM 0 H ASP A 49 0.011 -10.429 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 49 1.866 -11.956 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.096 -12.754 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.936 -12.805 -6.165 1.00 0.00 H new ATOM 797 N ALA A 50 -0.269 -9.964 -7.724 1.00 0.00 N ATOM 798 CA ALA A 50 -0.916 -9.420 -8.910 1.00 0.00 C ATOM 799 C ALA A 50 0.000 -9.463 -10.121 1.00 0.00 C ATOM 800 O ALA A 50 -0.347 -9.975 -11.173 1.00 0.00 O ATOM 801 CB ALA A 50 -1.370 -7.991 -8.645 1.00 0.00 C ATOM 0 H ALA A 50 -0.215 -9.324 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.784 -10.042 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.853 -7.591 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.076 -7.982 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.506 -7.376 -8.393 1.00 0.00 H new ATOM 807 N ILE A 51 1.139 -8.911 -9.954 1.00 0.00 N ATOM 808 CA ILE A 51 2.147 -8.870 -11.016 1.00 0.00 C ATOM 809 C ILE A 51 1.534 -8.524 -12.379 1.00 0.00 C ATOM 810 O ILE A 51 1.472 -7.353 -12.759 1.00 0.00 O ATOM 811 CB ILE A 51 2.939 -10.201 -11.127 1.00 0.00 C ATOM 812 CG1 ILE A 51 2.196 -11.352 -10.446 1.00 0.00 C ATOM 813 CG2 ILE A 51 4.329 -10.042 -10.530 1.00 0.00 C ATOM 814 CD1 ILE A 51 2.899 -12.683 -10.567 1.00 0.00 C ATOM 0 H ILE A 51 1.430 -8.464 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 51 2.841 -8.078 -10.734 1.00 0.00 H new ATOM 0 HB ILE A 51 3.034 -10.445 -12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.065 -11.115 -9.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.199 -11.437 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.872 -10.984 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.869 -9.262 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.244 -9.766 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.314 -13.451 -10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.006 -12.944 -11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.885 -12.617 -10.108 1.00 0.00 H new ATOM 940 N GLU A 60 -9.839 -2.033 -11.177 1.00 0.00 N ATOM 941 CA GLU A 60 -10.030 -0.603 -10.950 1.00 0.00 C ATOM 942 C GLU A 60 -10.195 -0.290 -9.465 1.00 0.00 C ATOM 943 O GLU A 60 -9.392 0.369 -8.889 1.00 0.00 O ATOM 944 CB GLU A 60 -11.247 -0.104 -11.724 1.00 0.00 C ATOM 945 CG GLU A 60 -11.320 1.342 -11.820 1.00 0.00 C ATOM 946 CD GLU A 60 -12.323 1.816 -12.854 1.00 0.00 C ATOM 947 OE1 GLU A 60 -11.999 1.774 -14.058 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.437 2.224 -12.454 1.00 0.00 O ATOM 0 HA GLU A 60 -9.138 -0.088 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.227 -0.526 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.151 -0.474 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.588 1.752 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.335 1.734 -12.071 1.00 0.00 H new ATOM 955 N ASN A 61 -11.242 -0.837 -8.850 1.00 0.00 N ATOM 956 CA ASN A 61 -11.509 -0.605 -7.430 1.00 0.00 C ATOM 957 C ASN A 61 -10.227 -0.684 -6.605 1.00 0.00 C ATOM 958 O ASN A 61 -9.911 0.156 -5.845 1.00 0.00 O ATOM 959 CB ASN A 61 -12.526 -1.618 -6.908 1.00 0.00 C ATOM 960 CG ASN A 61 -12.192 -3.042 -7.310 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.564 -3.500 -8.390 1.00 0.00 O ATOM 962 ND2 ASN A 61 -11.484 -3.748 -6.440 1.00 0.00 N ATOM 0 H ASN A 61 -11.920 -1.444 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.919 0.400 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.573 -1.553 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.516 -1.361 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.226 -4.711 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.197 -3.328 -5.556 1.00 0.00 H new ATOM 969 N GLN A 62 -9.484 -1.769 -6.780 1.00 0.00 N ATOM 970 CA GLN A 62 -8.229 -1.956 -6.056 1.00 0.00 C ATOM 971 C GLN A 62 -7.320 -0.751 -6.264 1.00 0.00 C ATOM 972 O GLN A 62 -6.653 -0.292 -5.333 1.00 0.00 O ATOM 973 CB GLN A 62 -7.527 -3.228 -6.527 1.00 0.00 C ATOM 974 CG GLN A 62 -7.458 -3.363 -8.040 1.00 0.00 C ATOM 975 CD GLN A 62 -6.453 -4.407 -8.488 1.00 0.00 C ATOM 976 OE1 GLN A 62 -5.304 -4.084 -8.807 1.00 0.00 O ATOM 977 NE2 GLN A 62 -6.875 -5.658 -8.512 1.00 0.00 N ATOM 0 H GLN A 62 -9.725 -2.531 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.452 -2.053 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.515 -3.245 -6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.048 -4.093 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.444 -3.626 -8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.194 -2.399 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.833 -5.878 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.243 -6.404 -8.803 1.00 0.00 H new ATOM 986 N GLU A 63 -7.313 -0.246 -7.486 1.00 0.00 N ATOM 987 CA GLU A 63 -6.501 0.832 -7.822 1.00 0.00 C ATOM 988 C GLU A 63 -6.910 2.036 -6.988 1.00 0.00 C ATOM 989 O GLU A 63 -6.083 2.873 -6.645 1.00 0.00 O ATOM 990 CB GLU A 63 -6.648 1.145 -9.306 1.00 0.00 C ATOM 991 CG GLU A 63 -5.394 1.732 -9.933 1.00 0.00 C ATOM 992 CD GLU A 63 -5.577 2.059 -11.407 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.284 3.039 -11.708 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.016 1.333 -12.249 1.00 0.00 O ATOM 0 H GLU A 63 -7.886 -0.599 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.458 0.588 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.915 0.231 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.473 1.845 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.113 2.638 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.571 1.026 -9.820 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.199 2.123 -6.668 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.707 3.230 -5.883 1.00 0.00 C ATOM 1003 C LYS A 64 -8.216 3.149 -4.447 1.00 0.00 C ATOM 1004 O LYS A 64 -7.407 3.973 -4.021 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.236 3.247 -5.915 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.818 3.150 -7.316 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.250 3.647 -7.363 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.160 2.810 -6.474 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.509 2.620 -7.083 1.00 0.00 N ATOM 0 H LYS A 64 -8.904 1.439 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.333 4.155 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.613 2.418 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.590 4.165 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.207 3.733 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.781 2.115 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.286 4.689 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.614 3.616 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.701 1.837 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.265 3.294 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.099 2.045 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.958 3.547 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.412 2.135 -7.998 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.691 2.163 -3.696 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.261 2.013 -2.318 1.00 0.00 C ATOM 1025 C GLY A 65 -6.757 2.015 -2.201 1.00 0.00 C ATOM 1026 O GLY A 65 -6.209 2.460 -1.195 1.00 0.00 O ATOM 0 H GLY A 65 -9.364 1.466 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.674 2.823 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.657 1.082 -1.912 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.089 1.526 -3.235 1.00 0.00 N ATOM 1031 CA ALA A 66 -4.638 1.492 -3.237 1.00 0.00 C ATOM 1032 C ALA A 66 -4.069 2.885 -3.473 1.00 0.00 C ATOM 1033 O ALA A 66 -3.416 3.443 -2.593 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.126 0.513 -4.281 1.00 0.00 C ATOM 0 H ALA A 66 -6.526 1.150 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.301 1.150 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.036 0.502 -4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.502 -0.486 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.473 0.819 -5.268 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.331 3.445 -4.654 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.831 4.788 -4.957 1.00 0.00 C ATOM 1042 C TYR A 67 -4.167 5.733 -3.817 1.00 0.00 C ATOM 1043 O TYR A 67 -3.305 6.462 -3.328 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.409 5.305 -6.276 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.463 6.215 -7.034 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.713 7.180 -6.370 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.323 6.107 -8.412 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.856 8.017 -7.061 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.462 6.933 -9.105 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.736 7.890 -8.426 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.880 8.718 -9.119 1.00 0.00 O ATOM 0 H TYR A 67 -4.871 3.005 -5.399 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.748 4.738 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.668 4.456 -6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.334 5.844 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.801 7.277 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.896 5.366 -8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.284 8.766 -6.533 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.357 6.831 -10.175 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.145 8.189 -9.494 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.413 5.696 -3.361 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.836 6.535 -2.247 1.00 0.00 C ATOM 1063 C ARG A 68 -4.859 6.362 -1.090 1.00 0.00 C ATOM 1064 O ARG A 68 -4.440 7.341 -0.454 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.249 6.166 -1.811 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.012 7.325 -1.187 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.921 8.002 -2.195 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.179 8.436 -1.595 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.270 9.399 -0.680 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -9.177 10.028 -0.262 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.451 9.729 -0.190 1.00 0.00 N ATOM 0 H ARG A 68 -6.145 5.097 -3.743 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.841 7.579 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.803 5.799 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.197 5.347 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.605 6.961 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.306 8.053 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.408 8.863 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.129 7.314 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.038 7.975 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.265 9.774 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.250 10.765 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.290 9.247 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.524 10.466 0.511 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.477 5.115 -0.829 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.543 4.829 0.159 1.00 0.00 C ATOM 1087 C VAL A 69 -2.129 5.219 -0.156 1.00 0.00 C ATOM 1088 O VAL A 69 -1.294 5.505 0.619 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.585 3.346 0.556 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.504 3.025 1.581 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.961 2.979 1.101 1.00 0.00 C ATOM 0 H VAL A 69 -4.832 4.296 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.849 5.459 0.994 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.393 2.751 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.555 1.969 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.524 3.246 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.658 3.630 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.973 1.925 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.179 3.587 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.716 3.163 0.336 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.862 5.238 -1.460 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.540 5.615 -1.928 1.00 0.00 C ATOM 1103 C ILE A 70 -0.376 7.122 -1.887 1.00 0.00 C ATOM 1104 O ILE A 70 0.610 7.626 -1.576 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.234 5.079 -3.352 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.185 4.857 -3.495 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.717 6.037 -4.436 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.625 3.438 -3.187 1.00 0.00 C ATOM 0 H ILE A 70 -2.530 5.002 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 70 0.180 5.153 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.772 4.139 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.479 5.104 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.717 5.542 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.483 5.624 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.795 6.173 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.219 6.999 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.704 3.355 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.365 3.192 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.123 2.746 -3.864 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.455 7.835 -2.190 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.439 9.286 -2.172 1.00 0.00 C ATOM 1122 C GLU A 71 -1.409 9.786 -0.738 1.00 0.00 C ATOM 1123 O GLU A 71 -0.791 10.808 -0.438 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.662 9.846 -2.895 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.977 9.392 -2.293 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.178 10.041 -2.957 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.398 9.777 -4.159 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.895 10.805 -2.281 1.00 0.00 O ATOM 0 H GLU A 71 -2.352 7.427 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.544 9.630 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.619 10.935 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.626 9.544 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.058 8.309 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.985 9.626 -1.228 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.077 9.057 0.081 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.113 9.437 1.471 1.00 0.00 C ATOM 1137 C HIS A 72 -0.778 9.148 2.140 1.00 0.00 C ATOM 1138 O HIS A 72 -0.206 10.013 2.797 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.243 8.704 2.199 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.743 9.433 3.403 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.069 9.759 3.591 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.090 9.898 4.492 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.206 10.401 4.738 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.020 10.494 5.307 1.00 0.00 N ATOM 0 H HIS A 72 -2.597 8.214 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.302 10.509 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.071 8.549 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.891 7.717 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.031 9.816 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.132 10.784 5.141 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.826 10.936 6.205 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.276 7.933 1.957 1.00 0.00 N ATOM 1154 CA LEU A 73 0.927 7.562 2.542 1.00 0.00 C ATOM 1155 C LEU A 73 2.049 8.352 1.877 1.00 0.00 C ATOM 1156 O LEU A 73 3.032 8.723 2.526 1.00 0.00 O ATOM 1157 CB LEU A 73 1.169 6.057 2.391 1.00 0.00 C ATOM 1158 CG LEU A 73 0.699 5.202 3.565 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -0.694 5.442 3.843 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.962 3.730 3.296 1.00 0.00 C ATOM 0 H LEU A 73 -0.719 7.207 1.394 1.00 0.00 H new ATOM 0 HA LEU A 73 0.897 7.782 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.666 5.713 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.236 5.890 2.245 1.00 0.00 H new ATOM 0 HG LEU A 73 1.270 5.486 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.009 4.823 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.839 6.493 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.289 5.192 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.620 3.138 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.425 3.422 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.031 3.572 3.151 1.00 0.00 H new ATOM 1172 N ILE A 74 1.878 8.632 0.584 1.00 0.00 N ATOM 1173 CA ILE A 74 2.862 9.397 -0.096 1.00 0.00 C ATOM 1174 C ILE A 74 3.212 10.677 0.573 1.00 0.00 C ATOM 1175 O ILE A 74 4.382 10.955 0.840 1.00 0.00 O ATOM 1176 CB ILE A 74 2.345 9.730 -1.523 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.109 8.922 -2.573 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.448 11.220 -1.832 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.224 8.328 -3.652 1.00 0.00 C ATOM 0 H ILE A 74 1.081 8.339 0.019 1.00 0.00 H new ATOM 0 HA ILE A 74 3.764 8.785 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 74 1.291 9.455 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.854 9.565 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.650 8.117 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.076 11.409 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.852 11.783 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.489 11.534 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.837 7.770 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.495 7.658 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.703 9.129 -4.177 1.00 0.00 H new ATOM 1191 N LYS A 75 2.187 11.445 0.929 1.00 0.00 N ATOM 1192 CA LYS A 75 2.391 12.678 1.660 1.00 0.00 C ATOM 1193 C LYS A 75 2.566 12.392 3.152 1.00 0.00 C ATOM 1194 O LYS A 75 3.170 13.180 3.875 1.00 0.00 O ATOM 1195 CB LYS A 75 1.213 13.637 1.406 1.00 0.00 C ATOM 1196 CG LYS A 75 0.358 13.943 2.633 1.00 0.00 C ATOM 1197 CD LYS A 75 1.038 14.928 3.559 1.00 0.00 C ATOM 1198 CE LYS A 75 0.099 16.037 3.991 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.800 17.327 4.214 1.00 0.00 N ATOM 0 H LYS A 75 1.212 11.231 0.721 1.00 0.00 H new ATOM 0 HA LYS A 75 3.304 13.158 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.605 14.574 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.574 13.208 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.603 14.347 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.153 13.019 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.409 14.403 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.904 15.360 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.670 16.173 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.409 15.741 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.112 18.050 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.517 17.209 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.263 17.627 3.333 1.00 0.00 H new ATOM 1213 N ASN A 76 2.042 11.252 3.596 1.00 0.00 N ATOM 1214 CA ASN A 76 2.157 10.864 4.997 1.00 0.00 C ATOM 1215 C ASN A 76 3.616 10.923 5.422 1.00 0.00 C ATOM 1216 O ASN A 76 3.943 11.472 6.478 1.00 0.00 O ATOM 1217 CB ASN A 76 1.596 9.462 5.213 1.00 0.00 C ATOM 1218 CG ASN A 76 1.423 9.134 6.685 1.00 0.00 C ATOM 1219 OD1 ASN A 76 0.304 9.113 7.201 1.00 0.00 O ATOM 1220 ND2 ASN A 76 2.531 8.873 7.373 1.00 0.00 N ATOM 0 H ASN A 76 1.538 10.586 3.010 1.00 0.00 H new ATOM 0 HA ASN A 76 1.578 11.558 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.634 9.376 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.263 8.731 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.473 8.645 8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.438 8.901 6.908 1.00 0.00 H new ATOM 1227 N GLU A 77 4.491 10.357 4.597 1.00 0.00 N ATOM 1228 CA GLU A 77 5.920 10.372 4.900 1.00 0.00 C ATOM 1229 C GLU A 77 6.744 9.717 3.804 1.00 0.00 C ATOM 1230 O GLU A 77 7.801 9.145 4.080 1.00 0.00 O ATOM 1231 CB GLU A 77 6.193 9.696 6.245 1.00 0.00 C ATOM 1232 CG GLU A 77 6.373 10.678 7.395 1.00 0.00 C ATOM 1233 CD GLU A 77 7.622 10.401 8.214 1.00 0.00 C ATOM 1234 OE1 GLU A 77 7.708 9.307 8.805 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.504 11.277 8.263 1.00 0.00 O ATOM 0 H GLU A 77 4.242 9.888 3.726 1.00 0.00 H new ATOM 0 HA GLU A 77 6.225 11.417 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.368 9.023 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.090 9.082 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.422 11.692 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.500 10.633 8.046 1.00 0.00 H new ATOM 1242 N ILE A 78 6.277 9.837 2.573 1.00 0.00 N ATOM 1243 CA ILE A 78 6.966 9.288 1.404 1.00 0.00 C ATOM 1244 C ILE A 78 7.694 7.981 1.727 1.00 0.00 C ATOM 1245 O ILE A 78 8.726 7.664 1.135 1.00 0.00 O ATOM 1246 CB ILE A 78 7.954 10.327 0.823 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.977 10.249 -0.617 1.00 0.00 C ATOM 1248 CG2 ILE A 78 9.365 10.168 1.407 1.00 0.00 C ATOM 1249 CD1 ILE A 78 8.637 9.003 -1.158 1.00 0.00 C ATOM 0 H ILE A 78 5.406 10.319 2.349 1.00 0.00 H new ATOM 0 HA ILE A 78 6.207 9.061 0.656 1.00 0.00 H new ATOM 0 HB ILE A 78 7.600 11.317 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.953 10.295 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.498 11.122 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.026 10.918 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.328 10.301 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.744 9.172 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.613 9.022 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.672 8.963 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.103 8.123 -0.799 1.00 0.00 H new ATOM 1261 N GLU A 79 7.147 7.228 2.663 1.00 0.00 N ATOM 1262 CA GLU A 79 7.748 5.975 3.051 1.00 0.00 C ATOM 1263 C GLU A 79 7.281 4.849 2.136 1.00 0.00 C ATOM 1264 O GLU A 79 7.803 3.738 2.179 1.00 0.00 O ATOM 1265 CB GLU A 79 7.411 5.646 4.508 1.00 0.00 C ATOM 1266 CG GLU A 79 5.934 5.790 4.847 1.00 0.00 C ATOM 1267 CD GLU A 79 5.614 5.353 6.265 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.563 5.142 7.053 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.417 5.213 6.590 1.00 0.00 O ATOM 0 H GLU A 79 6.291 7.465 3.164 1.00 0.00 H new ATOM 0 HA GLU A 79 8.830 6.073 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.725 4.624 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.989 6.300 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.635 6.830 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.345 5.198 4.147 1.00 0.00 H new ATOM 1276 N ILE A 80 6.297 5.161 1.294 1.00 0.00 N ATOM 1277 CA ILE A 80 5.758 4.190 0.351 1.00 0.00 C ATOM 1278 C ILE A 80 6.855 3.573 -0.419 1.00 0.00 C ATOM 1279 O ILE A 80 7.070 2.362 -0.395 1.00 0.00 O ATOM 1280 CB ILE A 80 4.719 4.846 -0.485 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.595 5.456 0.262 1.00 0.00 C ATOM 1282 CG2 ILE A 80 4.166 3.839 -1.484 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.440 5.953 -0.484 1.00 0.00 C ATOM 0 H ILE A 80 5.858 6.081 1.248 1.00 0.00 H new ATOM 0 HA ILE A 80 5.265 3.369 0.871 1.00 0.00 H new ATOM 0 HB ILE A 80 5.227 5.675 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.233 4.716 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.996 6.288 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.404 4.317 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.973 3.479 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.725 2.999 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.709 6.367 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.762 6.729 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.987 5.133 -1.041 1.00 0.00 H new ATOM 1295 N TRP A 81 7.551 4.413 -1.184 1.00 0.00 N ATOM 1296 CA TRP A 81 8.616 3.937 -2.060 1.00 0.00 C ATOM 1297 C TRP A 81 9.572 3.015 -1.311 1.00 0.00 C ATOM 1298 O TRP A 81 10.156 2.099 -1.902 1.00 0.00 O ATOM 1299 CB TRP A 81 9.365 5.116 -2.677 1.00 0.00 C ATOM 1300 CG TRP A 81 8.454 6.104 -3.336 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.761 7.386 -3.693 1.00 0.00 C ATOM 1302 CD2 TRP A 81 7.086 5.897 -3.728 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.671 7.993 -4.262 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.631 7.101 -4.302 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.203 4.817 -3.651 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.333 7.249 -4.785 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.920 4.970 -4.138 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.494 6.178 -4.701 1.00 0.00 C ATOM 0 H TRP A 81 7.396 5.421 -1.214 1.00 0.00 H new ATOM 0 HA TRP A 81 8.162 3.359 -2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.940 5.621 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 81 10.079 4.742 -3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.723 7.854 -3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.639 8.954 -4.601 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.518 3.879 -3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.001 8.184 -5.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.231 4.140 -4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.484 6.263 -5.075 1.00 0.00 H new ATOM 1319 N ARG A 82 9.715 3.240 -0.018 1.00 0.00 N ATOM 1320 CA ARG A 82 10.584 2.405 0.725 1.00 0.00 C ATOM 1321 C ARG A 82 10.049 0.978 0.771 1.00 0.00 C ATOM 1322 O ARG A 82 10.804 0.016 0.645 1.00 0.00 O ATOM 1323 CB ARG A 82 10.686 2.975 2.146 1.00 0.00 C ATOM 1324 CG ARG A 82 12.125 3.155 2.623 1.00 0.00 C ATOM 1325 CD ARG A 82 12.464 4.622 2.837 1.00 0.00 C ATOM 1326 NE ARG A 82 12.370 5.009 4.239 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.913 6.116 4.734 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.588 6.945 3.951 1.00 0.00 N ATOM 1329 NH2 ARG A 82 12.783 6.390 6.027 1.00 0.00 N ATOM 0 H ARG A 82 9.247 3.977 0.510 1.00 0.00 H new ATOM 0 HA ARG A 82 11.566 2.377 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.176 3.938 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.163 2.312 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.272 2.607 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.808 2.726 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.473 4.817 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.788 5.240 2.245 1.00 0.00 H new ATOM 0 HE ARG A 82 11.859 4.396 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.695 6.736 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.001 7.792 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.269 5.752 6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.198 7.238 6.413 1.00 0.00 H new ATOM 1343 N GLU A 83 8.737 0.854 0.940 1.00 0.00 N ATOM 1344 CA GLU A 83 8.084 -0.359 0.991 1.00 0.00 C ATOM 1345 C GLU A 83 7.890 -0.923 -0.324 1.00 0.00 C ATOM 1346 O GLU A 83 7.890 -2.139 -0.521 1.00 0.00 O ATOM 1347 CB GLU A 83 6.734 -0.261 1.692 1.00 0.00 C ATOM 1348 CG GLU A 83 6.758 0.505 2.959 1.00 0.00 C ATOM 1349 CD GLU A 83 5.550 1.404 3.081 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.442 0.880 3.331 1.00 0.00 O ATOM 1351 OE2 GLU A 83 5.702 2.638 2.923 1.00 0.00 O ATOM 0 H GLU A 83 8.114 1.655 1.045 1.00 0.00 H new ATOM 0 HA GLU A 83 8.733 -1.016 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.019 0.204 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.371 -1.268 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.787 -0.185 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.667 1.105 3.006 1.00 0.00 H new ATOM 1358 N LEU A 84 7.731 -0.043 -1.287 1.00 0.00 N ATOM 1359 CA LEU A 84 7.530 -0.424 -2.669 1.00 0.00 C ATOM 1360 C LEU A 84 8.834 -0.910 -3.298 1.00 0.00 C ATOM 1361 O LEU A 84 8.830 -1.704 -4.235 1.00 0.00 O ATOM 1362 CB LEU A 84 6.956 0.660 -3.479 1.00 0.00 C ATOM 1363 CG LEU A 84 5.433 0.827 -3.379 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.730 -0.086 -4.290 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.964 0.647 -1.936 1.00 0.00 C ATOM 0 H LEU A 84 7.737 0.965 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 84 6.809 -1.241 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.427 1.598 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.217 0.487 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 84 5.186 1.842 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.654 0.060 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.033 0.120 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.981 -1.116 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.882 0.769 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.233 -0.350 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.442 1.394 -1.302 1.00 0.00 H new ATOM 1377 N THR A 85 9.962 -0.448 -2.757 1.00 0.00 N ATOM 1378 CA THR A 85 11.264 -0.866 -3.256 1.00 0.00 C ATOM 1379 C THR A 85 11.624 -2.231 -2.686 1.00 0.00 C ATOM 1380 O THR A 85 12.252 -3.053 -3.355 1.00 0.00 O ATOM 1381 CB THR A 85 12.335 0.084 -2.892 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.574 -0.184 -3.476 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.559 0.223 -1.401 1.00 0.00 C ATOM 0 H THR A 85 9.997 0.211 -1.979 1.00 0.00 H new ATOM 0 HA THR A 85 11.188 -0.904 -4.343 1.00 0.00 H new ATOM 0 HB THR A 85 11.944 1.019 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.225 0.489 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.361 0.938 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.643 0.576 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.834 -0.745 -0.983 1.00 0.00 H new ATOM 1391 N ALA A 86 11.198 -2.471 -1.452 1.00 0.00 N ATOM 1392 CA ALA A 86 11.457 -3.741 -0.784 1.00 0.00 C ATOM 1393 C ALA A 86 10.340 -4.745 -1.073 1.00 0.00 C ATOM 1394 O ALA A 86 10.555 -5.956 -1.044 1.00 0.00 O ATOM 1395 CB ALA A 86 11.600 -3.527 0.632 1.00 0.00 C ATOM 0 H ALA A 86 10.670 -1.801 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 86 12.386 -4.159 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.793 -4.479 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.432 -2.848 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.683 -3.092 1.029 1.00 0.00 H new ATOM 1401 N LYS A 87 9.150 -4.221 -1.359 1.00 0.00 N ATOM 1402 CA LYS A 87 7.996 -5.049 -1.662 1.00 0.00 C ATOM 1403 C LYS A 87 7.278 -4.507 -2.892 1.00 0.00 C ATOM 1404 O LYS A 87 7.379 -3.324 -3.200 1.00 0.00 O ATOM 1405 CB LYS A 87 7.041 -5.091 -0.473 1.00 0.00 C ATOM 1406 CG LYS A 87 6.288 -6.408 -0.344 1.00 0.00 C ATOM 1407 CD LYS A 87 6.548 -7.073 0.920 1.00 0.00 C ATOM 1408 CE LYS A 87 5.316 -7.806 1.430 1.00 0.00 C ATOM 1409 NZ LYS A 87 4.383 -6.896 2.142 1.00 0.00 N ATOM 0 H LYS A 87 8.964 -3.218 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 87 8.338 -6.064 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.605 -4.913 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.321 -4.278 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.218 -6.223 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.572 -7.068 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.368 -7.780 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.867 -6.339 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.799 -8.272 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.623 -8.608 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.403 -7.191 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.572 -6.936 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.520 -5.923 1.802 1.00 0.00 H new ATOM 1423 N TYR A 88 6.571 -5.383 -3.588 1.00 0.00 N ATOM 1424 CA TYR A 88 5.834 -5.013 -4.806 1.00 0.00 C ATOM 1425 C TYR A 88 6.757 -4.934 -6.023 1.00 0.00 C ATOM 1426 O TYR A 88 6.298 -5.033 -7.159 1.00 0.00 O ATOM 1427 CB TYR A 88 5.100 -3.677 -4.629 1.00 0.00 C ATOM 1428 CG TYR A 88 4.175 -3.636 -3.432 1.00 0.00 C ATOM 1429 CD1 TYR A 88 2.890 -4.158 -3.505 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.583 -3.066 -2.234 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.039 -4.119 -2.417 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.737 -3.024 -1.141 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.466 -3.549 -1.237 1.00 0.00 C ATOM 1434 OH TYR A 88 1.629 -3.505 -0.161 1.00 0.00 O ATOM 0 H TYR A 88 6.486 -6.367 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 88 5.100 -5.800 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.837 -2.879 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.522 -3.470 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.550 -4.602 -4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.576 -2.649 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.044 -4.533 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.071 -2.581 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 88 2.085 -3.072 0.591 1.00 0.00 H new ATOM 1444 N ASP A 89 8.058 -4.755 -5.780 1.00 0.00 N ATOM 1445 CA ASP A 89 9.043 -4.667 -6.859 1.00 0.00 C ATOM 1446 C ASP A 89 8.751 -5.678 -7.975 1.00 0.00 C ATOM 1447 O ASP A 89 8.668 -5.299 -9.148 1.00 0.00 O ATOM 1448 CB ASP A 89 10.448 -4.902 -6.307 1.00 0.00 C ATOM 1449 CG ASP A 89 11.490 -4.031 -6.985 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.169 -2.864 -7.294 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.623 -4.512 -7.201 1.00 0.00 O ATOM 0 H ASP A 89 8.453 -4.668 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 89 8.978 -3.666 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.453 -4.702 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.715 -5.951 -6.436 1.00 0.00 H new ATOM 1456 N PRO A 90 8.589 -6.967 -7.635 1.00 0.00 N ATOM 1457 CA PRO A 90 8.308 -8.014 -8.616 1.00 0.00 C ATOM 1458 C PRO A 90 7.263 -7.597 -9.643 1.00 0.00 C ATOM 1459 O PRO A 90 7.379 -7.925 -10.824 1.00 0.00 O ATOM 1460 CB PRO A 90 7.790 -9.195 -7.768 1.00 0.00 C ATOM 1461 CG PRO A 90 7.737 -8.695 -6.357 1.00 0.00 C ATOM 1462 CD PRO A 90 8.669 -7.523 -6.281 1.00 0.00 C ATOM 0 HA PRO A 90 9.196 -8.255 -9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.805 -9.516 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.452 -10.057 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.722 -8.401 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.038 -9.475 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.354 -6.802 -5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.684 -7.827 -6.026 1.00 0.00 H new ATOM 1470 N THR A 91 6.234 -6.879 -9.199 1.00 0.00 N ATOM 1471 CA THR A 91 5.180 -6.426 -10.096 1.00 0.00 C ATOM 1472 C THR A 91 5.747 -5.485 -11.161 1.00 0.00 C ATOM 1473 O THR A 91 5.535 -5.683 -12.360 1.00 0.00 O ATOM 1474 CB THR A 91 4.043 -5.761 -9.310 1.00 0.00 C ATOM 1475 OG1 THR A 91 2.793 -6.031 -9.915 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.169 -4.254 -9.176 1.00 0.00 C ATOM 0 H THR A 91 6.110 -6.600 -8.226 1.00 0.00 H new ATOM 0 HA THR A 91 4.764 -7.295 -10.606 1.00 0.00 H new ATOM 0 HB THR A 91 4.113 -6.193 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.076 -5.890 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.324 -3.867 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.097 -4.011 -8.658 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.177 -3.800 -10.167 1.00 0.00 H new ATOM 1484 N GLY A 92 6.482 -4.466 -10.718 1.00 0.00 N ATOM 1485 CA GLY A 92 7.095 -3.514 -11.633 1.00 0.00 C ATOM 1486 C GLY A 92 6.178 -3.074 -12.758 1.00 0.00 C ATOM 1487 O GLY A 92 6.538 -3.165 -13.923 1.00 0.00 O ATOM 0 H GLY A 92 6.665 -4.282 -9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.413 -2.636 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.992 -3.961 -12.061 1.00 0.00 H new ATOM 1491 N ASN A 93 4.984 -2.600 -12.408 1.00 0.00 N ATOM 1492 CA ASN A 93 4.027 -2.137 -13.410 1.00 0.00 C ATOM 1493 C ASN A 93 2.773 -1.577 -12.749 1.00 0.00 C ATOM 1494 O ASN A 93 1.655 -1.788 -13.223 1.00 0.00 O ATOM 1495 CB ASN A 93 3.659 -3.278 -14.348 1.00 0.00 C ATOM 1496 CG ASN A 93 3.602 -2.846 -15.800 1.00 0.00 C ATOM 1497 OD1 ASN A 93 3.552 -1.655 -16.099 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.623 -3.814 -16.711 1.00 0.00 N ATOM 0 H ASN A 93 4.658 -2.527 -11.444 1.00 0.00 H new ATOM 0 HA ASN A 93 4.495 -1.338 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.388 -4.081 -14.240 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.691 -3.685 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.597 -3.581 -17.704 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.665 -4.790 -16.417 1.00 0.00 H new ATOM 1505 N TRP A 94 2.980 -0.839 -11.671 1.00 0.00 N ATOM 1506 CA TRP A 94 1.887 -0.216 -10.941 1.00 0.00 C ATOM 1507 C TRP A 94 2.429 0.868 -10.135 1.00 0.00 C ATOM 1508 O TRP A 94 1.896 1.979 -10.193 1.00 0.00 O ATOM 1509 CB TRP A 94 1.210 -1.235 -10.018 1.00 0.00 C ATOM 1510 CG TRP A 94 0.604 -2.384 -10.764 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.067 -3.668 -10.801 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -0.487 -2.358 -11.582 1.00 0.00 C ATOM 1513 NE1 TRP A 94 0.254 -4.442 -11.593 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -0.678 -3.658 -12.080 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.399 -1.356 -11.941 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -1.739 -3.985 -12.923 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.451 -1.687 -12.773 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -2.613 -2.986 -13.256 1.00 0.00 C ATOM 0 H TRP A 94 3.904 -0.655 -11.279 1.00 0.00 H new ATOM 0 HA TRP A 94 1.149 0.161 -11.649 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.942 -1.616 -9.306 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.434 -0.734 -9.439 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.945 -4.024 -10.283 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.356 -5.441 -11.770 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.282 -0.347 -11.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.866 -4.989 -13.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -3.162 -0.925 -13.055 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.446 -3.208 -13.907 1.00 0.00 H new ATOM 1529 N ARG A 95 3.510 0.610 -9.407 1.00 0.00 N ATOM 1530 CA ARG A 95 4.152 1.640 -8.613 1.00 0.00 C ATOM 1531 C ARG A 95 4.556 2.814 -9.495 1.00 0.00 C ATOM 1532 O ARG A 95 4.718 3.936 -9.011 1.00 0.00 O ATOM 1533 CB ARG A 95 5.379 1.075 -7.893 1.00 0.00 C ATOM 1534 CG ARG A 95 6.095 2.089 -7.018 1.00 0.00 C ATOM 1535 CD ARG A 95 7.257 2.732 -7.756 1.00 0.00 C ATOM 1536 NE ARG A 95 8.382 3.014 -6.865 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.609 3.306 -7.290 1.00 0.00 C ATOM 1538 NH1 ARG A 95 9.877 3.349 -8.587 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.571 3.544 -6.408 1.00 0.00 N ATOM 0 H ARG A 95 3.957 -0.305 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 95 3.441 1.991 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.071 0.230 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.079 0.690 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.392 2.859 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.461 1.600 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.587 2.072 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.922 3.659 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 95 8.217 2.985 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.141 3.158 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.820 3.573 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.369 3.503 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.513 3.768 -6.729 1.00 0.00 H new ATOM 1553 N LYS A 96 4.721 2.555 -10.795 1.00 0.00 N ATOM 1554 CA LYS A 96 5.099 3.611 -11.732 1.00 0.00 C ATOM 1555 C LYS A 96 4.040 4.702 -11.755 1.00 0.00 C ATOM 1556 O LYS A 96 4.363 5.887 -11.866 1.00 0.00 O ATOM 1557 CB LYS A 96 5.297 3.030 -13.131 1.00 0.00 C ATOM 1558 CG LYS A 96 5.918 4.014 -14.111 1.00 0.00 C ATOM 1559 CD LYS A 96 6.819 3.306 -15.114 1.00 0.00 C ATOM 1560 CE LYS A 96 8.041 4.145 -15.450 1.00 0.00 C ATOM 1561 NZ LYS A 96 8.498 3.916 -16.847 1.00 0.00 N ATOM 0 H LYS A 96 4.600 1.634 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 96 6.040 4.050 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.932 2.147 -13.063 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.333 2.701 -13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.130 4.548 -14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.495 4.759 -13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.136 2.346 -14.707 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.258 3.096 -16.025 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.807 5.201 -15.312 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.849 3.905 -14.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.333 4.505 -17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.745 2.913 -16.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.736 4.169 -17.508 1.00 0.00 H new ATOM 1575 N LYS A 97 2.780 4.307 -11.637 1.00 0.00 N ATOM 1576 CA LYS A 97 1.685 5.264 -11.622 1.00 0.00 C ATOM 1577 C LYS A 97 1.695 6.024 -10.306 1.00 0.00 C ATOM 1578 O LYS A 97 1.507 7.241 -10.266 1.00 0.00 O ATOM 1579 CB LYS A 97 0.349 4.551 -11.819 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.782 5.359 -11.371 1.00 0.00 C ATOM 1581 CD LYS A 97 -0.986 6.590 -12.243 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.437 6.735 -12.666 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.553 7.229 -14.071 1.00 0.00 N ATOM 0 H LYS A 97 2.492 3.332 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 97 1.815 5.970 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.223 4.306 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.359 3.608 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.688 4.753 -11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.619 5.669 -10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.674 7.480 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.353 6.520 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.941 5.773 -12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.945 7.426 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.557 7.316 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.093 8.158 -14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.089 6.557 -14.715 1.00 0.00 H new ATOM 1597 N TYR A 98 1.929 5.284 -9.230 1.00 0.00 N ATOM 1598 CA TYR A 98 1.980 5.852 -7.898 1.00 0.00 C ATOM 1599 C TYR A 98 3.206 6.752 -7.739 1.00 0.00 C ATOM 1600 O TYR A 98 3.189 7.706 -6.964 1.00 0.00 O ATOM 1601 CB TYR A 98 2.023 4.736 -6.859 1.00 0.00 C ATOM 1602 CG TYR A 98 0.737 3.950 -6.710 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.359 4.358 -7.324 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.707 2.791 -5.943 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.524 3.638 -7.169 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.369 2.070 -5.787 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.524 2.493 -6.399 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.685 1.769 -6.242 1.00 0.00 O ATOM 0 H TYR A 98 2.088 4.277 -9.260 1.00 0.00 H new ATOM 0 HA TYR A 98 1.085 6.455 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.825 4.046 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.280 5.170 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.342 5.245 -7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.616 2.473 -5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.433 3.969 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.352 1.167 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.480 0.811 -6.276 1.00 0.00 H new ATOM 1618 N GLU A 99 4.267 6.435 -8.476 1.00 0.00 N ATOM 1619 CA GLU A 99 5.496 7.212 -8.406 1.00 0.00 C ATOM 1620 C GLU A 99 5.404 8.452 -9.295 1.00 0.00 C ATOM 1621 O GLU A 99 5.938 9.508 -8.960 1.00 0.00 O ATOM 1622 CB GLU A 99 6.687 6.345 -8.821 1.00 0.00 C ATOM 1623 CG GLU A 99 7.952 7.132 -9.118 1.00 0.00 C ATOM 1624 CD GLU A 99 9.185 6.519 -8.477 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.310 6.596 -7.239 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.027 5.967 -9.220 1.00 0.00 O ATOM 0 H GLU A 99 4.299 5.649 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 99 5.640 7.542 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.896 5.628 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.413 5.770 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.097 7.186 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.832 8.155 -8.761 1.00 0.00 H new ATOM 1633 N ASP A 100 4.721 8.321 -10.425 1.00 0.00 N ATOM 1634 CA ASP A 100 4.555 9.433 -11.347 1.00 0.00 C ATOM 1635 C ASP A 100 3.912 10.627 -10.652 1.00 0.00 C ATOM 1636 O ASP A 100 4.322 11.770 -10.846 1.00 0.00 O ATOM 1637 CB ASP A 100 3.707 9.010 -12.548 1.00 0.00 C ATOM 1638 CG ASP A 100 3.521 10.131 -13.555 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.536 10.626 -14.088 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.354 10.507 -13.806 1.00 0.00 O ATOM 0 H ASP A 100 4.273 7.454 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 100 5.544 9.729 -11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.179 8.159 -13.040 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.730 8.675 -12.199 1.00 0.00 H new ATOM 1645 N ARG A 101 2.905 10.351 -9.835 1.00 0.00 N ATOM 1646 CA ARG A 101 2.208 11.399 -9.098 1.00 0.00 C ATOM 1647 C ARG A 101 3.177 12.175 -8.221 1.00 0.00 C ATOM 1648 O ARG A 101 3.149 13.408 -8.187 1.00 0.00 O ATOM 1649 CB ARG A 101 1.103 10.798 -8.243 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.109 11.584 -8.333 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.825 11.641 -6.992 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.624 12.853 -6.855 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.226 13.212 -5.724 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.125 12.462 -4.637 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.937 14.336 -5.684 1.00 0.00 N ATOM 0 H ARG A 101 2.551 9.410 -9.665 1.00 0.00 H new ATOM 0 HA ARG A 101 1.765 12.086 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.903 9.777 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.430 10.745 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.133 12.594 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.771 11.153 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.469 10.768 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.092 11.596 -6.187 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.727 13.458 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.581 11.599 -4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.591 12.747 -3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.019 14.918 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.400 14.616 -4.820 1.00 0.00 H new ATOM 1669 N ALA A 102 4.034 11.446 -7.522 1.00 0.00 N ATOM 1670 CA ALA A 102 5.024 12.068 -6.645 1.00 0.00 C ATOM 1671 C ALA A 102 5.890 13.066 -7.405 1.00 0.00 C ATOM 1672 O ALA A 102 6.545 13.917 -6.799 1.00 0.00 O ATOM 1673 CB ALA A 102 5.888 10.996 -6.001 1.00 0.00 C ATOM 0 H ALA A 102 4.067 10.427 -7.542 1.00 0.00 H new ATOM 0 HA ALA A 102 4.494 12.617 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.624 11.465 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.259 10.325 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.401 10.428 -6.777 1.00 0.00 H new ATOM 1679 N LYS A 103 5.880 12.963 -8.731 1.00 0.00 N ATOM 1680 CA LYS A 103 6.662 13.872 -9.561 1.00 0.00 C ATOM 1681 C LYS A 103 5.885 15.154 -9.816 1.00 0.00 C ATOM 1682 O LYS A 103 6.457 16.246 -9.849 1.00 0.00 O ATOM 1683 CB LYS A 103 7.019 13.201 -10.890 1.00 0.00 C ATOM 1684 CG LYS A 103 8.429 13.518 -11.375 1.00 0.00 C ATOM 1685 CD LYS A 103 8.438 13.892 -12.849 1.00 0.00 C ATOM 1686 CE LYS A 103 9.657 13.320 -13.555 1.00 0.00 C ATOM 1687 NZ LYS A 103 10.104 14.192 -14.678 1.00 0.00 N ATOM 0 H LYS A 103 5.345 12.266 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 103 7.583 14.119 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.915 12.121 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.303 13.515 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.842 14.338 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.074 12.654 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.531 13.521 -13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.431 14.977 -12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.471 13.203 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.423 12.326 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.937 13.769 -15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.336 14.283 -15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.351 15.133 -14.310 1.00 0.00 H new ATOM 1701 N ALA A 104 4.574 15.014 -9.987 1.00 0.00 N ATOM 1702 CA ALA A 104 3.713 16.164 -10.225 1.00 0.00 C ATOM 1703 C ALA A 104 3.483 16.946 -8.941 1.00 0.00 C ATOM 1704 O ALA A 104 3.245 18.152 -8.970 1.00 0.00 O ATOM 1705 CB ALA A 104 2.388 15.711 -10.819 1.00 0.00 C ATOM 0 H ALA A 104 4.087 14.118 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 104 4.210 16.824 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.752 16.579 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.569 15.198 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.892 15.031 -10.126 1.00 0.00 H new ATOM 1711 N ALA A 105 3.552 16.248 -7.803 1.00 0.00 N ATOM 1712 CA ALA A 105 3.350 16.879 -6.513 1.00 0.00 C ATOM 1713 C ALA A 105 4.675 17.315 -5.889 1.00 0.00 C ATOM 1714 O ALA A 105 4.756 18.363 -5.248 1.00 0.00 O ATOM 1715 CB ALA A 105 2.606 15.937 -5.580 1.00 0.00 C ATOM 0 H ALA A 105 3.746 15.248 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 105 2.748 17.775 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.460 16.421 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.636 15.688 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.187 15.025 -5.444 1.00 0.00 H new ATOM 1721 N GLY A 106 5.711 16.499 -6.070 1.00 0.00 N ATOM 1722 CA GLY A 106 7.011 16.809 -5.512 1.00 0.00 C ATOM 1723 C GLY A 106 7.406 15.829 -4.430 1.00 0.00 C ATOM 1724 O GLY A 106 8.596 15.566 -4.230 1.00 0.00 O ATOM 0 H GLY A 106 5.670 15.626 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.759 16.796 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.999 17.819 -5.101 1.00 0.00 H new ATOM 1728 N ILE A 107 6.414 15.283 -3.745 1.00 0.00 N ATOM 1729 CA ILE A 107 6.650 14.315 -2.683 1.00 0.00 C ATOM 1730 C ILE A 107 7.413 13.107 -3.217 1.00 0.00 C ATOM 1731 O ILE A 107 6.823 12.203 -3.807 1.00 0.00 O ATOM 1732 CB ILE A 107 5.313 13.842 -2.065 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.542 12.738 -1.031 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.371 13.358 -3.153 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.577 13.080 0.000 1.00 0.00 C ATOM 0 H ILE A 107 5.430 15.495 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 107 7.246 14.805 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 107 4.858 14.692 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.599 12.522 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.844 11.827 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.434 13.028 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.172 14.172 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.829 12.526 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.684 12.249 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.532 13.266 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.268 13.973 0.543 1.00 0.00 H new ATOM 1747 N VAL A 108 8.725 13.099 -3.006 1.00 0.00 N ATOM 1748 CA VAL A 108 9.560 12.007 -3.469 1.00 0.00 C ATOM 1749 C VAL A 108 10.481 11.503 -2.364 1.00 0.00 C ATOM 1750 O VAL A 108 10.762 12.220 -1.403 1.00 0.00 O ATOM 1751 CB VAL A 108 10.407 12.409 -4.693 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.139 11.201 -5.252 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.530 13.056 -5.760 1.00 0.00 C ATOM 0 H VAL A 108 9.229 13.839 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 108 8.882 11.206 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 108 11.151 13.140 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.732 11.502 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.796 10.788 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.415 10.445 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.144 13.333 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.762 12.350 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.056 13.948 -5.350 1.00 0.00 H new ATOM 1763 N ILE A 109 10.924 10.258 -2.498 1.00 0.00 N ATOM 1764 CA ILE A 109 11.794 9.643 -1.515 1.00 0.00 C ATOM 1765 C ILE A 109 13.156 10.348 -1.431 1.00 0.00 C ATOM 1766 O ILE A 109 13.992 10.220 -2.320 1.00 0.00 O ATOM 1767 CB ILE A 109 11.981 8.135 -1.829 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.380 7.377 -0.565 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.992 7.907 -2.944 1.00 0.00 C ATOM 1770 CD1 ILE A 109 11.191 6.860 0.133 1.00 0.00 C ATOM 0 H ILE A 109 10.690 9.654 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 109 11.314 9.747 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 109 11.025 7.748 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 109 13.042 6.551 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.939 8.037 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.092 6.838 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.651 8.404 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.958 8.316 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.500 6.324 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.543 7.691 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.648 6.182 -0.526 1.00 0.00 H new ATOM 1782 N PRO A 110 13.392 11.116 -0.353 1.00 0.00 N ATOM 1783 CA PRO A 110 14.647 11.849 -0.165 1.00 0.00 C ATOM 1784 C PRO A 110 15.769 10.960 0.289 1.00 0.00 C ATOM 1785 O PRO A 110 16.519 11.362 1.181 1.00 0.00 O ATOM 1786 CB PRO A 110 14.291 12.934 0.785 1.00 0.00 C ATOM 1787 CG PRO A 110 12.837 12.753 1.099 1.00 0.00 C ATOM 1788 CD PRO A 110 12.481 11.354 0.680 1.00 0.00 C ATOM 0 HA PRO A 110 15.045 12.261 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.895 12.873 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.475 13.914 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.649 12.899 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.231 13.484 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.597 10.642 1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 110 11.449 11.281 0.338 1.00 0.00 H new ATOM 1796 N GLU A 111 15.893 9.754 -0.181 1.00 0.00 N ATOM 1797 CA GLU A 111 16.921 8.833 0.174 1.00 0.00 C ATOM 1798 C GLU A 111 18.271 9.207 -0.346 1.00 0.00 C ATOM 1799 O GLU A 111 18.765 8.552 -1.262 1.00 0.00 O ATOM 1800 CB GLU A 111 16.557 7.402 -0.129 1.00 0.00 C ATOM 1801 CG GLU A 111 16.077 7.245 -1.564 1.00 0.00 C ATOM 1802 CD GLU A 111 16.940 6.291 -2.367 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.901 5.072 -2.089 1.00 0.00 O ATOM 1804 OE2 GLU A 111 17.662 6.759 -3.281 1.00 0.00 O ATOM 0 H GLU A 111 15.239 9.369 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 111 17.002 8.905 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.422 6.761 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.777 7.070 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.048 6.884 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.071 8.221 -2.050 1.00 0.00 H new ATOM 1811 N GLU A 112 18.858 10.274 0.124 1.00 0.00 N ATOM 1812 CA GLU A 112 20.155 10.754 -0.285 1.00 0.00 C ATOM 1813 C GLU A 112 21.224 9.683 -0.120 1.00 0.00 C ATOM 1814 O GLU A 112 21.898 9.364 -1.120 1.00 0.00 O ATOM 1815 CB GLU A 112 20.556 12.022 0.394 1.00 0.00 C ATOM 1816 CG GLU A 112 20.967 13.169 -0.432 1.00 0.00 C ATOM 1817 CD GLU A 112 20.421 14.503 0.001 1.00 0.00 C ATOM 1818 OE1 GLU A 112 19.190 14.690 -0.015 1.00 0.00 O ATOM 1819 OE2 GLU A 112 21.225 15.364 0.371 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.381 9.175 0.931 1.00 0.00 O ATOM 0 H GLU A 112 18.426 10.862 0.837 1.00 0.00 H new ATOM 0 HA GLU A 112 20.065 10.989 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.719 12.344 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 112 21.380 11.789 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.056 13.224 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.657 12.985 -1.460 1.00 0.00 H new