USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 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 26 TYR OH : rot 150:sc= -3.29! USER MOD Set 1.2: A 87 LYS NZ :NH3+ -176:sc= -0.735 (180deg=-0.511) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -3.07! C(o=-11!,f=-11!) USER MOD Set 2.2: A 46 HIS :FLIP no HE2:sc= -8.1! C(o=-13!,f=-11!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.4!) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.51 F(o=-5.9!,f=-2.5) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc=-0.00186 (180deg=-1.3) USER MOD Single : A 28 ASN : amide:sc= -4.72! C(o=-4.7!,f=-8.3!) USER MOD Single : A 31 MET CE :methyl -153:sc= -1.12 (180deg=-1.23) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 132:sc= -1.25! USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 1.16 (180deg=-0.297!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.46 F(o=-6.1!,f=-2.5) USER MOD Single : A 61 ASN : amide:sc= -5.74 K(o=-5.7,f=-9.8!) USER MOD Single : A 62 GLN : amide:sc= -3.57! C(o=-3.6!,f=-8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 113:sc= -1.29! USER MOD Single : A 72 HIS :FLIP no HD1:sc= -7.34! C(o=-8.9!,f=-7.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.138 K(o=-0.14,f=-3.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00717 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= -0.759 (180deg=-0.776) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 98 TYR OH : rot 150:sc= -2.26 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -16.216 1.989 -1.781 1.00 0.00 N ATOM 122 CA TYR A 8 -15.101 1.476 -2.566 1.00 0.00 C ATOM 123 C TYR A 8 -14.896 0.006 -2.304 1.00 0.00 C ATOM 124 O TYR A 8 -14.243 -0.317 -1.332 1.00 0.00 O ATOM 125 CB TYR A 8 -13.820 2.257 -2.240 1.00 0.00 C ATOM 126 CG TYR A 8 -13.619 2.540 -0.770 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.977 1.627 0.000 1.00 0.00 C ATOM 128 CD2 TYR A 8 -14.071 3.726 -0.216 1.00 0.00 C ATOM 129 CE1 TYR A 8 -12.794 1.882 1.322 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.888 3.990 1.060 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.248 3.065 1.857 1.00 0.00 C ATOM 132 OH TYR A 8 -13.066 3.331 3.193 1.00 0.00 O ATOM 0 HA TYR A 8 -15.335 1.607 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.962 1.695 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.838 3.203 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.615 0.706 -0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.581 4.445 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.294 1.159 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.236 4.923 1.479 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.445 4.209 3.406 1.00 0.00 H new ATOM 142 N ASP A 9 -15.447 -0.758 -3.181 1.00 0.00 N ATOM 143 CA ASP A 9 -15.326 -2.205 -3.055 1.00 0.00 C ATOM 144 C ASP A 9 -13.868 -2.620 -2.923 1.00 0.00 C ATOM 145 O ASP A 9 -13.186 -2.833 -3.927 1.00 0.00 O ATOM 146 CB ASP A 9 -15.971 -2.904 -4.255 1.00 0.00 C ATOM 147 CG ASP A 9 -16.674 -4.191 -3.876 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.981 -5.217 -3.707 1.00 0.00 O ATOM 149 OD2 ASP A 9 -17.914 -4.173 -3.748 1.00 0.00 O ATOM 0 H ASP A 9 -15.981 -0.433 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.851 -2.510 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.687 -2.228 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.204 -3.120 -4.999 1.00 0.00 H new ATOM 154 N ASN A 10 -13.394 -2.735 -1.689 1.00 0.00 N ATOM 155 CA ASN A 10 -12.014 -3.123 -1.426 1.00 0.00 C ATOM 156 C ASN A 10 -11.881 -3.719 -0.059 1.00 0.00 C ATOM 157 O ASN A 10 -12.862 -4.176 0.474 1.00 0.00 O ATOM 158 CB ASN A 10 -11.087 -1.911 -1.584 1.00 0.00 C ATOM 159 CG ASN A 10 -9.778 -2.266 -2.261 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.675 -1.861 -1.655 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -9.769 -2.897 -3.320 1.00 0.00 N flip ATOM 0 H ASN A 10 -13.948 -2.564 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.721 -3.882 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.596 -1.142 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.881 -1.485 -0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.648 -3.187 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.882 -3.129 -3.768 1.00 0.00 H new ATOM 168 N ILE A 11 -10.661 -3.710 0.422 1.00 0.00 N ATOM 169 CA ILE A 11 -10.406 -4.251 1.751 1.00 0.00 C ATOM 170 C ILE A 11 -10.569 -3.161 2.804 1.00 0.00 C ATOM 171 O ILE A 11 -10.912 -2.028 2.475 1.00 0.00 O ATOM 172 CB ILE A 11 -8.995 -4.882 1.836 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.964 -5.984 2.897 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.942 -3.820 2.127 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.174 -7.203 2.482 1.00 0.00 C ATOM 0 H ILE A 11 -9.843 -3.346 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.136 -5.038 1.944 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.762 -5.330 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.537 -5.580 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.986 -6.285 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.959 -4.288 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.946 -3.076 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.167 -3.335 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.196 -7.941 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.613 -7.632 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.142 -6.917 2.281 1.00 0.00 H new ATOM 187 N ASN A 12 -10.322 -3.505 4.062 1.00 0.00 N ATOM 188 CA ASN A 12 -10.440 -2.540 5.150 1.00 0.00 C ATOM 189 C ASN A 12 -9.276 -1.555 5.119 1.00 0.00 C ATOM 190 O ASN A 12 -8.466 -1.498 6.041 1.00 0.00 O ATOM 191 CB ASN A 12 -10.481 -3.259 6.498 1.00 0.00 C ATOM 192 CG ASN A 12 -11.458 -2.629 7.465 1.00 0.00 C ATOM 193 OD1 ASN A 12 -12.114 -1.636 7.141 1.00 0.00 O ATOM 194 ND2 ASN A 12 -11.569 -3.194 8.657 1.00 0.00 N ATOM 0 H ASN A 12 -10.040 -4.441 4.354 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.370 -1.987 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.754 -4.303 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.484 -3.253 6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.215 -2.809 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.008 -4.015 8.887 1.00 0.00 H new ATOM 201 N LEU A 13 -9.193 -0.784 4.040 1.00 0.00 N ATOM 202 CA LEU A 13 -8.132 0.122 3.870 1.00 0.00 C ATOM 203 C LEU A 13 -8.484 1.412 4.596 1.00 0.00 C ATOM 204 O LEU A 13 -8.561 2.484 3.991 1.00 0.00 O ATOM 205 CB LEU A 13 -7.881 0.381 2.384 1.00 0.00 C ATOM 206 CG LEU A 13 -6.543 -0.081 1.873 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.525 -0.103 0.356 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.401 0.705 2.408 1.00 0.00 C ATOM 0 H LEU A 13 -9.871 -0.791 3.278 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.215 -0.294 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.663 -0.113 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.975 1.451 2.197 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.409 -1.097 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.548 -0.440 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.294 -0.784 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.719 0.900 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.469 0.317 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.515 1.751 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.381 0.624 3.495 1.00 0.00 H new ATOM 220 N ASP A 14 -8.662 1.290 5.891 1.00 0.00 N ATOM 221 CA ASP A 14 -8.979 2.416 6.744 1.00 0.00 C ATOM 222 C ASP A 14 -8.049 2.407 7.937 1.00 0.00 C ATOM 223 O ASP A 14 -7.369 3.392 8.224 1.00 0.00 O ATOM 224 CB ASP A 14 -10.441 2.353 7.199 1.00 0.00 C ATOM 225 CG ASP A 14 -11.099 3.719 7.199 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.662 4.105 6.154 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.052 4.393 8.248 1.00 0.00 O ATOM 0 H ASP A 14 -8.591 0.402 6.387 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.844 3.343 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.996 1.684 6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.490 1.928 8.201 1.00 0.00 H new ATOM 232 N GLU A 15 -8.010 1.272 8.631 1.00 0.00 N ATOM 233 CA GLU A 15 -7.153 1.112 9.782 1.00 0.00 C ATOM 234 C GLU A 15 -5.686 1.255 9.395 1.00 0.00 C ATOM 235 O GLU A 15 -4.841 1.591 10.228 1.00 0.00 O ATOM 236 CB GLU A 15 -7.387 -0.196 10.442 1.00 0.00 C ATOM 237 CG GLU A 15 -7.342 -1.327 9.462 1.00 0.00 C ATOM 238 CD GLU A 15 -6.862 -2.614 10.100 1.00 0.00 C ATOM 239 OE1 GLU A 15 -5.925 -2.546 10.926 1.00 0.00 O ATOM 240 OE2 GLU A 15 -7.417 -3.687 9.778 1.00 0.00 O ATOM 0 H GLU A 15 -8.570 0.449 8.407 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.400 1.903 10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.634 -0.354 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.357 -0.184 10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.335 -1.480 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.682 -1.064 8.636 1.00 0.00 H new ATOM 247 N ILE A 16 -5.383 1.003 8.120 1.00 0.00 N ATOM 248 CA ILE A 16 -4.003 1.117 7.642 1.00 0.00 C ATOM 249 C ILE A 16 -3.676 2.536 7.192 1.00 0.00 C ATOM 250 O ILE A 16 -2.511 2.876 6.987 1.00 0.00 O ATOM 251 CB ILE A 16 -3.726 0.152 6.479 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.271 -1.165 6.805 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.229 0.089 6.202 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.323 -2.081 5.610 1.00 0.00 C ATOM 0 H ILE A 16 -6.061 0.724 7.411 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.366 0.855 8.487 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.214 0.509 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.662 -1.624 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.275 -1.048 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.040 -0.597 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.866 1.082 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.709 -0.263 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.736 -3.045 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.955 -1.639 4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.317 -2.223 5.216 1.00 0.00 H new ATOM 266 N LEU A 17 -4.703 3.372 7.056 1.00 0.00 N ATOM 267 CA LEU A 17 -4.500 4.753 6.630 1.00 0.00 C ATOM 268 C LEU A 17 -5.078 5.737 7.658 1.00 0.00 C ATOM 269 O LEU A 17 -4.943 6.953 7.513 1.00 0.00 O ATOM 270 CB LEU A 17 -5.142 4.985 5.260 1.00 0.00 C ATOM 271 CG LEU A 17 -5.344 6.449 4.864 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.025 7.211 4.940 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.939 6.552 3.469 1.00 0.00 C ATOM 0 H LEU A 17 -5.675 3.120 7.233 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.427 4.930 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.523 4.504 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.111 4.486 5.243 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.044 6.899 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.188 8.250 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.640 7.170 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.303 6.758 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.074 7.602 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.266 6.083 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.904 6.045 3.447 1.00 0.00 H new ATOM 285 N ALA A 18 -5.723 5.199 8.697 1.00 0.00 N ATOM 286 CA ALA A 18 -6.310 6.022 9.731 1.00 0.00 C ATOM 287 C ALA A 18 -5.241 6.707 10.574 1.00 0.00 C ATOM 288 O ALA A 18 -5.459 7.789 11.109 1.00 0.00 O ATOM 289 CB ALA A 18 -7.230 5.184 10.614 1.00 0.00 C ATOM 0 H ALA A 18 -5.846 4.196 8.835 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.898 6.801 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.665 5.816 11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.026 4.755 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.657 4.382 11.080 1.00 0.00 H new ATOM 295 N ASN A 19 -4.084 6.065 10.691 1.00 0.00 N ATOM 296 CA ASN A 19 -2.991 6.619 11.480 1.00 0.00 C ATOM 297 C ASN A 19 -1.641 6.041 11.080 1.00 0.00 C ATOM 298 O ASN A 19 -1.509 4.838 10.788 1.00 0.00 O ATOM 299 CB ASN A 19 -3.235 6.387 12.972 1.00 0.00 C ATOM 300 CG ASN A 19 -3.988 5.095 13.255 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.538 3.999 12.656 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.973 5.089 13.996 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.880 5.167 10.253 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.965 7.690 11.279 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.278 6.365 13.492 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.799 7.227 13.378 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.285 5.954 14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.476 4.219 14.169 1.00 0.00 H new ATOM 309 N LYS A 20 -0.630 6.902 11.069 1.00 0.00 N ATOM 310 CA LYS A 20 0.645 6.491 10.719 1.00 0.00 C ATOM 311 C LYS A 20 1.105 5.372 11.631 1.00 0.00 C ATOM 312 O LYS A 20 1.945 4.565 11.259 1.00 0.00 O ATOM 313 CB LYS A 20 1.634 7.663 10.786 1.00 0.00 C ATOM 314 CG LYS A 20 1.177 8.862 11.611 1.00 0.00 C ATOM 315 CD LYS A 20 0.865 8.472 13.051 1.00 0.00 C ATOM 316 CE LYS A 20 2.055 7.807 13.723 1.00 0.00 C ATOM 317 NZ LYS A 20 1.783 7.471 15.140 1.00 0.00 N ATOM 0 H LYS A 20 -0.712 7.890 11.307 1.00 0.00 H new ATOM 0 HA LYS A 20 0.614 6.124 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.575 7.298 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.840 8.000 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.953 9.627 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.291 9.302 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.578 9.360 13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.012 7.794 13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.316 6.899 13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.918 8.470 13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.279 6.592 15.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.118 8.243 15.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.760 7.342 15.276 1.00 0.00 H new ATOM 331 N ARG A 21 0.539 5.299 12.833 1.00 0.00 N ATOM 332 CA ARG A 21 0.905 4.252 13.773 1.00 0.00 C ATOM 333 C ARG A 21 0.737 2.878 13.138 1.00 0.00 C ATOM 334 O ARG A 21 1.531 1.968 13.379 1.00 0.00 O ATOM 335 CB ARG A 21 0.048 4.345 15.042 1.00 0.00 C ATOM 336 CG ARG A 21 -1.361 4.391 14.761 1.00 0.00 C ATOM 337 CD ARG A 21 -2.056 3.115 15.218 1.00 0.00 C ATOM 338 NE ARG A 21 -1.831 2.854 16.638 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.581 2.036 17.367 1.00 0.00 C ATOM 340 NH1 ARG A 21 -3.607 1.397 16.819 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.308 1.852 18.655 1.00 0.00 N ATOM 0 H ARG A 21 -0.169 5.949 13.174 1.00 0.00 H new ATOM 0 HA ARG A 21 1.952 4.390 14.042 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.259 3.487 15.681 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.331 5.236 15.602 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.807 5.250 15.262 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.517 4.530 13.691 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.126 3.196 15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.691 2.272 14.631 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.052 3.328 17.096 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.824 1.533 15.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.179 0.770 17.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.522 2.339 19.084 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.885 1.223 19.214 1.00 0.00 H new ATOM 355 N LEU A 22 -0.216 2.737 12.303 1.00 0.00 N ATOM 356 CA LEU A 22 -0.465 1.477 11.640 1.00 0.00 C ATOM 357 C LEU A 22 0.068 1.443 10.252 1.00 0.00 C ATOM 358 O LEU A 22 0.782 0.503 9.910 1.00 0.00 O ATOM 359 CB LEU A 22 -1.972 1.204 11.550 1.00 0.00 C ATOM 360 CG LEU A 22 -2.512 0.202 12.570 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.809 0.705 13.193 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.733 -1.072 11.914 1.00 0.00 C ATOM 0 H LEU A 22 -0.861 3.484 12.044 1.00 0.00 H new ATOM 0 HA LEU A 22 0.043 0.722 12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.504 2.147 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.200 0.838 10.549 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.781 0.082 13.370 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.173 -0.026 13.915 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.626 1.654 13.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.556 0.847 12.412 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.118 -1.791 12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.455 -0.945 11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.792 -1.438 11.504 1.00 0.00 H new ATOM 374 N LEU A 23 -0.113 2.476 9.458 1.00 0.00 N ATOM 375 CA LEU A 23 0.373 2.530 8.109 1.00 0.00 C ATOM 376 C LEU A 23 1.894 2.420 8.179 1.00 0.00 C ATOM 377 O LEU A 23 2.523 1.733 7.375 1.00 0.00 O ATOM 378 CB LEU A 23 0.000 3.825 7.397 1.00 0.00 C ATOM 379 CG LEU A 23 0.952 4.979 7.438 1.00 0.00 C ATOM 380 CD1 LEU A 23 2.019 4.790 6.377 1.00 0.00 C ATOM 381 CD2 LEU A 23 0.241 6.310 7.261 1.00 0.00 C ATOM 0 H LEU A 23 -0.614 3.317 9.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.080 1.718 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.179 3.584 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.948 4.167 7.812 1.00 0.00 H new ATOM 0 HG LEU A 23 1.419 5.002 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.713 5.630 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.562 3.864 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.550 4.740 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.970 7.120 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.270 6.324 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.488 6.442 8.060 1.00 0.00 H new ATOM 393 N VAL A 24 2.472 3.086 9.171 1.00 0.00 N ATOM 394 CA VAL A 24 3.913 3.071 9.363 1.00 0.00 C ATOM 395 C VAL A 24 4.357 1.727 9.907 1.00 0.00 C ATOM 396 O VAL A 24 5.346 1.167 9.454 1.00 0.00 O ATOM 397 CB VAL A 24 4.378 4.188 10.328 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.868 4.082 10.594 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.019 5.555 9.763 1.00 0.00 C ATOM 0 H VAL A 24 1.962 3.644 9.856 1.00 0.00 H new ATOM 0 HA VAL A 24 4.369 3.248 8.389 1.00 0.00 H new ATOM 0 HB VAL A 24 3.861 4.064 11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.174 4.877 11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.089 3.114 11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.413 4.179 9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.352 6.332 10.451 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.509 5.690 8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.939 5.623 9.634 1.00 0.00 H new ATOM 409 N ALA A 25 3.622 1.206 10.883 1.00 0.00 N ATOM 410 CA ALA A 25 3.960 -0.030 11.471 1.00 0.00 C ATOM 411 C ALA A 25 4.157 -1.042 10.390 1.00 0.00 C ATOM 412 O ALA A 25 5.187 -1.720 10.352 1.00 0.00 O ATOM 413 CB ALA A 25 2.890 -0.447 12.456 1.00 0.00 C ATOM 0 H ALA A 25 2.786 1.645 11.268 1.00 0.00 H new ATOM 0 HA ALA A 25 4.891 0.057 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.161 -1.403 12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.800 0.308 13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.937 -0.547 11.937 1.00 0.00 H new ATOM 419 N TYR A 26 3.194 -1.149 9.483 1.00 0.00 N ATOM 420 CA TYR A 26 3.305 -2.099 8.382 1.00 0.00 C ATOM 421 C TYR A 26 4.496 -1.711 7.514 1.00 0.00 C ATOM 422 O TYR A 26 5.373 -2.530 7.240 1.00 0.00 O ATOM 423 CB TYR A 26 2.042 -2.121 7.526 1.00 0.00 C ATOM 424 CG TYR A 26 2.066 -3.171 6.433 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.940 -4.522 6.725 1.00 0.00 C ATOM 426 CD2 TYR A 26 2.223 -2.797 5.105 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.974 -5.475 5.729 1.00 0.00 C ATOM 428 CE2 TYR A 26 2.253 -3.740 4.098 1.00 0.00 C ATOM 429 CZ TYR A 26 2.133 -5.076 4.411 1.00 0.00 C ATOM 430 OH TYR A 26 2.164 -6.019 3.411 1.00 0.00 O ATOM 0 H TYR A 26 2.336 -0.597 9.486 1.00 0.00 H new ATOM 0 HA TYR A 26 3.442 -3.096 8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.180 -2.299 8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.904 -1.140 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.813 -4.833 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.323 -1.751 4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.878 -6.523 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.370 -3.432 3.069 1.00 0.00 H new ATOM 0 HH TYR A 26 1.807 -5.631 2.585 1.00 0.00 H new ATOM 440 N VAL A 27 4.520 -0.449 7.117 1.00 0.00 N ATOM 441 CA VAL A 27 5.613 0.000 6.295 1.00 0.00 C ATOM 442 C VAL A 27 6.957 -0.210 6.957 1.00 0.00 C ATOM 443 O VAL A 27 7.923 -0.584 6.289 1.00 0.00 O ATOM 444 CB VAL A 27 5.461 1.503 6.029 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.680 2.052 5.305 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.193 1.780 5.237 1.00 0.00 C ATOM 0 H VAL A 27 3.818 0.255 7.344 1.00 0.00 H new ATOM 0 HA VAL A 27 5.580 -0.583 5.375 1.00 0.00 H new ATOM 0 HB VAL A 27 5.383 2.012 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.548 3.119 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.568 1.893 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.799 1.538 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.103 2.851 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.238 1.255 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.328 1.432 5.802 1.00 0.00 H new ATOM 456 N ASN A 28 7.024 -0.047 8.273 1.00 0.00 N ATOM 457 CA ASN A 28 8.257 -0.279 9.006 1.00 0.00 C ATOM 458 C ASN A 28 8.520 -1.764 9.022 1.00 0.00 C ATOM 459 O ASN A 28 9.657 -2.209 8.868 1.00 0.00 O ATOM 460 CB ASN A 28 8.159 0.194 10.429 1.00 0.00 C ATOM 461 CG ASN A 28 9.386 0.994 10.821 1.00 0.00 C ATOM 462 OD1 ASN A 28 10.352 1.087 10.065 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.345 1.596 12.007 1.00 0.00 N ATOM 0 H ASN A 28 6.237 0.245 8.852 1.00 0.00 H new ATOM 0 HA ASN A 28 9.058 0.274 8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.266 0.807 10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.051 -0.663 11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.135 2.161 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.524 1.493 12.603 1.00 0.00 H new ATOM 470 N CYS A 29 7.451 -2.532 9.186 1.00 0.00 N ATOM 471 CA CYS A 29 7.543 -3.981 9.199 1.00 0.00 C ATOM 472 C CYS A 29 8.103 -4.477 7.878 1.00 0.00 C ATOM 473 O CYS A 29 8.771 -5.513 7.826 1.00 0.00 O ATOM 474 CB CYS A 29 6.170 -4.595 9.468 1.00 0.00 C ATOM 475 SG CYS A 29 6.147 -5.774 10.857 1.00 0.00 S ATOM 0 H CYS A 29 6.506 -2.170 9.312 1.00 0.00 H new ATOM 0 HA CYS A 29 8.218 -4.287 9.999 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.459 -3.795 9.672 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.828 -5.104 8.567 1.00 0.00 H new ATOM 480 N VAL A 30 7.845 -3.733 6.806 1.00 0.00 N ATOM 481 CA VAL A 30 8.336 -4.104 5.484 1.00 0.00 C ATOM 482 C VAL A 30 9.863 -4.086 5.458 1.00 0.00 C ATOM 483 O VAL A 30 10.486 -4.705 4.603 1.00 0.00 O ATOM 484 CB VAL A 30 7.805 -3.155 4.394 1.00 0.00 C ATOM 485 CG1 VAL A 30 8.268 -3.610 3.017 1.00 0.00 C ATOM 486 CG2 VAL A 30 6.287 -3.082 4.444 1.00 0.00 C ATOM 0 H VAL A 30 7.300 -2.871 6.828 1.00 0.00 H new ATOM 0 HA VAL A 30 7.973 -5.111 5.277 1.00 0.00 H new ATOM 0 HB VAL A 30 8.206 -2.159 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.883 -2.927 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.357 -3.613 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.896 -4.616 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.929 -2.407 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.869 -4.076 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.973 -2.711 5.420 1.00 0.00 H new ATOM 496 N MET A 31 10.471 -3.369 6.412 1.00 0.00 N ATOM 497 CA MET A 31 11.924 -3.290 6.484 1.00 0.00 C ATOM 498 C MET A 31 12.397 -2.956 7.899 1.00 0.00 C ATOM 499 O MET A 31 13.229 -2.073 8.092 1.00 0.00 O ATOM 500 CB MET A 31 12.447 -2.240 5.501 1.00 0.00 C ATOM 501 CG MET A 31 11.720 -0.910 5.596 1.00 0.00 C ATOM 502 SD MET A 31 12.712 0.388 4.997 1.00 0.00 S ATOM 503 CE MET A 31 12.749 0.045 3.242 1.00 0.00 C ATOM 0 H MET A 31 9.980 -2.843 7.135 1.00 0.00 H new ATOM 0 HA MET A 31 12.322 -4.268 6.215 1.00 0.00 H new ATOM 0 HB2 MET A 31 13.509 -2.079 5.684 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.353 -2.625 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.793 -0.957 5.025 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.446 -0.714 6.633 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.666 0.447 2.812 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.714 -1.032 3.081 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.889 0.511 2.762 1.00 0.00 H new ATOM 513 N GLU A 32 11.856 -3.671 8.891 1.00 0.00 N ATOM 514 CA GLU A 32 12.233 -3.443 10.277 1.00 0.00 C ATOM 515 C GLU A 32 12.863 -4.687 10.894 1.00 0.00 C ATOM 516 O GLU A 32 14.084 -4.845 10.896 1.00 0.00 O ATOM 517 CB GLU A 32 11.021 -2.998 11.101 1.00 0.00 C ATOM 518 CG GLU A 32 10.875 -1.490 11.198 1.00 0.00 C ATOM 519 CD GLU A 32 11.867 -0.876 12.159 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.588 -0.855 13.375 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.932 -0.411 11.696 1.00 0.00 O ATOM 0 H GLU A 32 11.161 -4.406 8.755 1.00 0.00 H new ATOM 0 HA GLU A 32 12.977 -2.647 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.117 -3.415 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.103 -3.412 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.010 -1.050 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.863 -1.246 11.520 1.00 0.00 H new ATOM 528 N ARG A 33 12.018 -5.579 11.419 1.00 0.00 N ATOM 529 CA ARG A 33 12.496 -6.799 12.050 1.00 0.00 C ATOM 530 C ARG A 33 12.319 -8.006 11.122 1.00 0.00 C ATOM 531 O ARG A 33 12.400 -9.147 11.565 1.00 0.00 O ATOM 532 CB ARG A 33 11.739 -7.036 13.352 1.00 0.00 C ATOM 533 CG ARG A 33 10.264 -7.345 13.158 1.00 0.00 C ATOM 534 CD ARG A 33 9.967 -8.813 13.409 1.00 0.00 C ATOM 535 NE ARG A 33 10.459 -9.262 14.707 1.00 0.00 N ATOM 536 CZ ARG A 33 9.830 -9.026 15.858 1.00 0.00 C ATOM 537 NH1 ARG A 33 8.688 -8.350 15.873 1.00 0.00 N ATOM 538 NH2 ARG A 33 10.344 -9.471 16.998 1.00 0.00 N ATOM 0 H ARG A 33 11.003 -5.474 11.417 1.00 0.00 H new ATOM 0 HA ARG A 33 13.559 -6.681 12.259 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.206 -7.863 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.835 -6.153 13.983 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.670 -6.731 13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.966 -7.080 12.144 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.891 -8.979 13.353 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.423 -9.414 12.622 1.00 0.00 H new ATOM 0 HE ARG A 33 11.334 -9.786 14.735 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.287 -8.008 15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.212 -8.173 16.757 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.220 -9.993 16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.863 -9.291 17.879 1.00 0.00 H new ATOM 552 N GLY A 34 12.079 -7.736 9.845 1.00 0.00 N ATOM 553 CA GLY A 34 11.895 -8.819 8.891 1.00 0.00 C ATOM 554 C GLY A 34 10.626 -9.605 9.150 1.00 0.00 C ATOM 555 O GLY A 34 9.820 -9.231 10.000 1.00 0.00 O ATOM 0 H GLY A 34 12.008 -6.797 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.866 -8.410 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.752 -9.491 8.938 1.00 0.00 H new ATOM 559 N LYS A 35 10.455 -10.703 8.420 1.00 0.00 N ATOM 560 CA LYS A 35 9.267 -11.547 8.579 1.00 0.00 C ATOM 561 C LYS A 35 7.993 -10.725 8.496 1.00 0.00 C ATOM 562 O LYS A 35 6.961 -11.094 9.052 1.00 0.00 O ATOM 563 CB LYS A 35 9.322 -12.298 9.911 1.00 0.00 C ATOM 564 CG LYS A 35 10.024 -13.650 9.820 1.00 0.00 C ATOM 565 CD LYS A 35 10.551 -14.090 11.177 1.00 0.00 C ATOM 566 CE LYS A 35 12.013 -13.708 11.348 1.00 0.00 C ATOM 567 NZ LYS A 35 12.766 -14.727 12.135 1.00 0.00 N ATOM 0 H LYS A 35 11.117 -11.031 7.716 1.00 0.00 H new ATOM 0 HA LYS A 35 9.259 -12.270 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.836 -11.679 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.306 -12.449 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.330 -14.398 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.849 -13.587 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.957 -13.631 11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.440 -15.169 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.475 -13.592 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.080 -12.742 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.758 -14.429 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.341 -14.819 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.724 -15.644 11.646 1.00 0.00 H new ATOM 581 N CYS A 36 8.067 -9.607 7.780 1.00 0.00 N ATOM 582 CA CYS A 36 6.927 -8.727 7.608 1.00 0.00 C ATOM 583 C CYS A 36 6.824 -8.282 6.158 1.00 0.00 C ATOM 584 O CYS A 36 5.745 -8.298 5.563 1.00 0.00 O ATOM 585 CB CYS A 36 7.040 -7.518 8.539 1.00 0.00 C ATOM 586 SG CYS A 36 5.899 -7.574 9.958 1.00 0.00 S ATOM 0 H CYS A 36 8.914 -9.291 7.308 1.00 0.00 H new ATOM 0 HA CYS A 36 6.020 -9.272 7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.063 -7.451 8.910 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.848 -6.611 7.966 1.00 0.00 H new ATOM 591 N SER A 37 7.962 -7.899 5.576 1.00 0.00 N ATOM 592 CA SER A 37 8.001 -7.474 4.187 1.00 0.00 C ATOM 593 C SER A 37 7.424 -8.562 3.287 1.00 0.00 C ATOM 594 O SER A 37 6.569 -8.291 2.448 1.00 0.00 O ATOM 595 CB SER A 37 9.438 -7.156 3.769 1.00 0.00 C ATOM 596 OG SER A 37 9.473 -6.092 2.830 1.00 0.00 O ATOM 0 H SER A 37 8.865 -7.877 6.050 1.00 0.00 H new ATOM 0 HA SER A 37 7.397 -6.572 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.025 -6.889 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.899 -8.043 3.335 1.00 0.00 H new ATOM 0 HG SER A 37 10.148 -5.436 3.104 1.00 0.00 H new ATOM 602 N PRO A 38 7.877 -9.816 3.446 1.00 0.00 N ATOM 603 CA PRO A 38 7.395 -10.934 2.653 1.00 0.00 C ATOM 604 C PRO A 38 6.054 -11.458 3.162 1.00 0.00 C ATOM 605 O PRO A 38 5.342 -12.161 2.446 1.00 0.00 O ATOM 606 CB PRO A 38 8.485 -11.990 2.830 1.00 0.00 C ATOM 607 CG PRO A 38 9.042 -11.726 4.186 1.00 0.00 C ATOM 608 CD PRO A 38 8.902 -10.242 4.431 1.00 0.00 C ATOM 0 HA PRO A 38 7.221 -10.657 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.077 -12.998 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.253 -11.901 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.504 -12.296 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.087 -12.031 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.586 -10.033 5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.846 -9.720 4.277 1.00 0.00 H new ATOM 616 N GLU A 39 5.709 -11.114 4.404 1.00 0.00 N ATOM 617 CA GLU A 39 4.454 -11.554 4.988 1.00 0.00 C ATOM 618 C GLU A 39 3.280 -10.716 4.463 1.00 0.00 C ATOM 619 O GLU A 39 2.762 -10.993 3.385 1.00 0.00 O ATOM 620 CB GLU A 39 4.526 -11.492 6.516 1.00 0.00 C ATOM 621 CG GLU A 39 5.019 -12.779 7.148 1.00 0.00 C ATOM 622 CD GLU A 39 3.966 -13.457 8.001 1.00 0.00 C ATOM 623 OE1 GLU A 39 3.272 -12.747 8.761 1.00 0.00 O ATOM 624 OE2 GLU A 39 3.833 -14.701 7.912 1.00 0.00 O ATOM 0 H GLU A 39 6.282 -10.535 5.017 1.00 0.00 H new ATOM 0 HA GLU A 39 4.284 -12.589 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.187 -10.676 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.537 -11.258 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.340 -13.464 6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.894 -12.565 7.762 1.00 0.00 H new ATOM 631 N GLY A 40 2.870 -9.694 5.227 1.00 0.00 N ATOM 632 CA GLY A 40 1.749 -8.834 4.818 1.00 0.00 C ATOM 633 C GLY A 40 0.699 -9.602 4.027 1.00 0.00 C ATOM 634 O GLY A 40 0.143 -9.094 3.055 1.00 0.00 O ATOM 0 H GLY A 40 3.292 -9.444 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.287 -8.395 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.127 -8.009 4.214 1.00 0.00 H new ATOM 638 N LYS A 41 0.472 -10.847 4.442 1.00 0.00 N ATOM 639 CA LYS A 41 -0.394 -11.735 3.778 1.00 0.00 C ATOM 640 C LYS A 41 -1.749 -11.102 3.546 1.00 0.00 C ATOM 641 O LYS A 41 -2.490 -11.532 2.666 1.00 0.00 O ATOM 642 CB LYS A 41 -0.543 -13.027 4.576 1.00 0.00 C ATOM 643 CG LYS A 41 -0.769 -12.808 6.062 1.00 0.00 C ATOM 644 CD LYS A 41 0.427 -13.012 6.857 1.00 0.00 C ATOM 645 CE LYS A 41 0.473 -14.391 7.494 1.00 0.00 C ATOM 646 NZ LYS A 41 1.027 -14.346 8.877 1.00 0.00 N ATOM 0 H LYS A 41 0.910 -11.247 5.272 1.00 0.00 H new ATOM 0 HA LYS A 41 0.042 -11.969 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.378 -13.598 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.353 -13.632 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.135 -11.794 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.548 -13.487 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.306 -12.877 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.475 -12.253 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.532 -14.813 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.082 -15.054 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.523 -15.237 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.694 -13.552 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.251 -14.218 9.558 1.00 0.00 H new ATOM 660 N GLU A 42 -2.098 -10.092 4.328 1.00 0.00 N ATOM 661 CA GLU A 42 -3.394 -9.442 4.163 1.00 0.00 C ATOM 662 C GLU A 42 -3.430 -8.668 2.852 1.00 0.00 C ATOM 663 O GLU A 42 -4.225 -8.976 1.967 1.00 0.00 O ATOM 664 CB GLU A 42 -3.724 -8.513 5.338 1.00 0.00 C ATOM 665 CG GLU A 42 -2.611 -8.341 6.367 1.00 0.00 C ATOM 666 CD GLU A 42 -2.434 -9.568 7.244 1.00 0.00 C ATOM 667 OE1 GLU A 42 -2.929 -10.647 6.869 1.00 0.00 O ATOM 668 OE2 GLU A 42 -1.797 -9.447 8.319 1.00 0.00 O ATOM 0 H GLU A 42 -1.515 -9.708 5.072 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.153 -10.224 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.984 -7.532 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.609 -8.897 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.674 -8.129 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.832 -7.478 6.995 1.00 0.00 H new ATOM 675 N LEU A 43 -2.556 -7.685 2.731 1.00 0.00 N ATOM 676 CA LEU A 43 -2.491 -6.892 1.522 1.00 0.00 C ATOM 677 C LEU A 43 -1.995 -7.734 0.356 1.00 0.00 C ATOM 678 O LEU A 43 -2.226 -7.400 -0.732 1.00 0.00 O ATOM 679 CB LEU A 43 -1.578 -5.681 1.726 1.00 0.00 C ATOM 680 CG LEU A 43 -1.758 -4.969 3.068 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.718 -5.441 4.072 1.00 0.00 C ATOM 682 CD2 LEU A 43 -1.686 -3.455 2.886 1.00 0.00 C ATOM 0 H LEU A 43 -1.886 -7.419 3.452 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.495 -6.537 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.541 -6.005 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.759 -4.966 0.923 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.744 -5.220 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.865 -4.922 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.823 -6.515 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.280 -5.225 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.816 -2.966 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.716 -3.184 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.475 -3.132 2.206 1.00 0.00 H new ATOM 694 N LYS A 44 -1.322 -8.844 0.668 1.00 0.00 N ATOM 695 CA LYS A 44 -0.823 -9.730 -0.307 1.00 0.00 C ATOM 696 C LYS A 44 -1.908 -10.706 -0.737 1.00 0.00 C ATOM 697 O LYS A 44 -2.008 -11.053 -1.908 1.00 0.00 O ATOM 698 CB LYS A 44 0.325 -10.495 0.117 1.00 0.00 C ATOM 699 CG LYS A 44 1.015 -11.300 -0.892 1.00 0.00 C ATOM 700 CD LYS A 44 0.565 -12.754 -0.875 1.00 0.00 C ATOM 701 CE LYS A 44 1.370 -13.586 0.034 1.00 0.00 C ATOM 702 NZ LYS A 44 1.622 -14.961 -0.399 1.00 0.00 N ATOM 0 H LYS A 44 -1.122 -9.129 1.627 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.504 -9.093 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.049 -9.803 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.007 -11.162 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.832 -10.876 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.090 -11.252 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.482 -12.803 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.627 -13.161 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.330 -13.094 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.870 -13.618 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.196 -15.451 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.717 -15.459 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.132 -14.952 -1.305 1.00 0.00 H new ATOM 716 N GLU A 45 -2.730 -11.130 0.142 1.00 0.00 N ATOM 717 CA GLU A 45 -3.819 -12.047 -0.111 1.00 0.00 C ATOM 718 C GLU A 45 -4.934 -11.284 -0.781 1.00 0.00 C ATOM 719 O GLU A 45 -5.636 -11.823 -1.632 1.00 0.00 O ATOM 720 CB GLU A 45 -4.350 -12.716 1.102 1.00 0.00 C ATOM 721 CG GLU A 45 -3.455 -13.829 1.618 1.00 0.00 C ATOM 722 CD GLU A 45 -3.742 -15.168 0.961 1.00 0.00 C ATOM 723 OE1 GLU A 45 -4.700 -15.845 1.386 1.00 0.00 O ATOM 724 OE2 GLU A 45 -3.013 -15.528 0.020 1.00 0.00 O ATOM 0 H GLU A 45 -2.676 -10.842 1.119 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.422 -12.841 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.483 -11.973 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.335 -13.126 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.413 -13.561 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.585 -13.923 2.696 1.00 0.00 H new ATOM 731 N HIS A 46 -5.083 -10.017 -0.415 1.00 0.00 N ATOM 732 CA HIS A 46 -6.104 -9.167 -0.989 1.00 0.00 C ATOM 733 C HIS A 46 -5.648 -8.581 -2.316 1.00 0.00 C ATOM 734 O HIS A 46 -6.443 -8.477 -3.253 1.00 0.00 O ATOM 735 CB HIS A 46 -6.477 -8.040 -0.055 1.00 0.00 C ATOM 736 CG HIS A 46 -7.563 -7.151 -0.546 1.00 0.00 C ATOM 737 ND1 HIS A 46 -8.910 -7.303 -0.536 1.00 0.00 N flip ATOM 738 CD2 HIS A 46 -7.322 -5.942 -1.160 1.00 0.00 C flip ATOM 739 CE1 HIS A 46 -9.445 -6.197 -1.137 1.00 0.00 C flip ATOM 740 NE2 HIS A 46 -8.470 -5.390 -1.503 1.00 0.00 N flip ATOM 0 H HIS A 46 -4.500 -9.557 0.284 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.980 -9.795 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.781 -8.466 0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.590 -7.435 0.133 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -9.427 -8.094 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.346 -5.513 -1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.499 -6.014 -1.288 1.00 0.00 H new ATOM 749 N LEU A 47 -4.369 -8.185 -2.406 1.00 0.00 N ATOM 750 CA LEU A 47 -3.832 -7.608 -3.639 1.00 0.00 C ATOM 751 C LEU A 47 -2.469 -6.977 -3.406 1.00 0.00 C ATOM 752 O LEU A 47 -2.366 -5.827 -2.984 1.00 0.00 O ATOM 753 CB LEU A 47 -4.802 -6.534 -4.181 1.00 0.00 C ATOM 754 CG LEU A 47 -4.236 -5.616 -5.267 1.00 0.00 C ATOM 755 CD1 LEU A 47 -4.088 -6.368 -6.580 1.00 0.00 C ATOM 756 CD2 LEU A 47 -5.128 -4.395 -5.447 1.00 0.00 C ATOM 0 H LEU A 47 -3.695 -8.255 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.722 -8.414 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.685 -7.035 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.135 -5.917 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.248 -5.279 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.684 -5.698 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.411 -7.211 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.063 -6.735 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.712 -3.752 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.128 -4.715 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.183 -3.843 -4.509 1.00 0.00 H new ATOM 768 N GLN A 48 -1.411 -7.729 -3.711 1.00 0.00 N ATOM 769 CA GLN A 48 -0.064 -7.210 -3.562 1.00 0.00 C ATOM 770 C GLN A 48 0.171 -6.287 -4.726 1.00 0.00 C ATOM 771 O GLN A 48 1.115 -6.506 -5.486 1.00 0.00 O ATOM 772 CB GLN A 48 0.879 -8.361 -3.517 1.00 0.00 C ATOM 773 CG GLN A 48 2.308 -7.895 -3.304 1.00 0.00 C ATOM 774 CD GLN A 48 3.016 -8.656 -2.206 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.353 -8.806 -1.065 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 4.150 -9.102 -2.377 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.465 -8.687 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 48 0.087 -6.647 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.591 -9.038 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.813 -8.925 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.864 -8.008 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.306 -6.833 -3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.623 -8.964 -3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.617 -9.610 -1.626 1.00 0.00 H new ATOM 785 N ASP A 49 -0.571 -5.247 -4.876 1.00 0.00 N ATOM 786 CA ASP A 49 -0.414 -4.292 -5.961 1.00 0.00 C ATOM 787 C ASP A 49 -0.724 -4.948 -7.305 1.00 0.00 C ATOM 788 O ASP A 49 -0.388 -4.397 -8.354 1.00 0.00 O ATOM 789 CB ASP A 49 0.922 -3.719 -5.966 1.00 0.00 C ATOM 790 CG ASP A 49 1.357 -3.229 -4.596 1.00 0.00 C ATOM 791 OD1 ASP A 49 1.265 -4.022 -3.636 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.787 -2.067 -4.489 1.00 0.00 O ATOM 0 H ASP A 49 -1.332 -5.014 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.126 -3.482 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.632 -4.466 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.954 -2.888 -6.671 1.00 0.00 H new ATOM 797 N ALA A 50 -1.355 -6.132 -7.265 1.00 0.00 N ATOM 798 CA ALA A 50 -1.710 -6.882 -8.476 1.00 0.00 C ATOM 799 C ALA A 50 -1.806 -8.370 -8.182 1.00 0.00 C ATOM 800 O ALA A 50 -2.500 -9.102 -8.887 1.00 0.00 O ATOM 801 CB ALA A 50 -0.684 -6.647 -9.583 1.00 0.00 C ATOM 0 H ALA A 50 -1.631 -6.592 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.683 -6.522 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.969 -7.213 -10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.648 -5.585 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.299 -6.975 -9.244 1.00 0.00 H new ATOM 807 N ILE A 51 -1.088 -8.818 -7.155 1.00 0.00 N ATOM 808 CA ILE A 51 -1.071 -10.234 -6.776 1.00 0.00 C ATOM 809 C ILE A 51 -0.608 -11.099 -7.951 1.00 0.00 C ATOM 810 O ILE A 51 -0.824 -12.310 -7.970 1.00 0.00 O ATOM 811 CB ILE A 51 -2.459 -10.701 -6.264 1.00 0.00 C ATOM 812 CG1 ILE A 51 -2.284 -11.635 -5.064 1.00 0.00 C ATOM 813 CG2 ILE A 51 -3.275 -11.388 -7.355 1.00 0.00 C ATOM 814 CD1 ILE A 51 -1.569 -12.922 -5.403 1.00 0.00 C ATOM 0 H ILE A 51 -0.507 -8.221 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.361 -10.351 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.013 -9.813 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.727 -11.113 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.265 -11.871 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.238 -11.697 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.435 -10.695 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.736 -12.264 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.480 -13.536 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.136 -13.465 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.575 -12.695 -5.788 1.00 0.00 H new ATOM 940 N GLU A 60 -10.129 -0.420 -10.915 1.00 0.00 N ATOM 941 CA GLU A 60 -10.734 0.745 -10.458 1.00 0.00 C ATOM 942 C GLU A 60 -10.876 0.770 -8.942 1.00 0.00 C ATOM 943 O GLU A 60 -10.062 1.386 -8.258 1.00 0.00 O ATOM 944 CB GLU A 60 -12.096 0.955 -11.120 1.00 0.00 C ATOM 945 CG GLU A 60 -12.807 2.218 -10.673 1.00 0.00 C ATOM 946 CD GLU A 60 -13.558 2.893 -11.804 1.00 0.00 C ATOM 947 OE1 GLU A 60 -13.026 2.933 -12.928 1.00 0.00 O ATOM 948 OE2 GLU A 60 -14.687 3.373 -11.557 1.00 0.00 O ATOM 0 HA GLU A 60 -10.075 1.567 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.962 0.988 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.731 0.096 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.505 1.974 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.078 2.914 -10.259 1.00 0.00 H new ATOM 955 N ASN A 61 -11.903 0.121 -8.418 1.00 0.00 N ATOM 956 CA ASN A 61 -12.135 0.085 -6.980 1.00 0.00 C ATOM 957 C ASN A 61 -10.828 -0.017 -6.226 1.00 0.00 C ATOM 958 O ASN A 61 -10.432 0.800 -5.459 1.00 0.00 O ATOM 959 CB ASN A 61 -13.097 -0.977 -6.617 1.00 0.00 C ATOM 960 CG ASN A 61 -14.391 -0.472 -6.018 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.397 0.385 -5.215 1.00 0.00 O ATOM 962 ND2 ASN A 61 -15.505 -1.085 -6.400 1.00 0.00 N ATOM 0 H ASN A 61 -12.593 -0.391 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.596 1.026 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.327 -1.561 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.622 -1.653 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.401 -0.815 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.465 -1.826 -7.100 1.00 0.00 H new ATOM 969 N GLN A 62 -10.133 -1.103 -6.469 1.00 0.00 N ATOM 970 CA GLN A 62 -8.851 -1.340 -5.827 1.00 0.00 C ATOM 971 C GLN A 62 -7.890 -0.212 -6.160 1.00 0.00 C ATOM 972 O GLN A 62 -7.059 0.116 -5.335 1.00 0.00 O ATOM 973 CB GLN A 62 -8.272 -2.679 -6.273 1.00 0.00 C ATOM 974 CG GLN A 62 -8.162 -2.824 -7.786 1.00 0.00 C ATOM 975 CD GLN A 62 -6.730 -2.928 -8.261 1.00 0.00 C ATOM 976 OE1 GLN A 62 -5.793 -2.704 -7.501 1.00 0.00 O ATOM 977 NE2 GLN A 62 -6.551 -3.278 -9.534 1.00 0.00 N ATOM 0 H GLN A 62 -10.430 -1.841 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.998 -1.372 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.283 -2.802 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.897 -3.483 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.711 -3.711 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.638 -1.968 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.358 -3.455 -10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.607 -3.369 -9.910 1.00 0.00 H new ATOM 986 N GLU A 63 -8.026 0.246 -7.373 1.00 0.00 N ATOM 987 CA GLU A 63 -7.186 1.330 -7.812 1.00 0.00 C ATOM 988 C GLU A 63 -7.486 2.581 -7.011 1.00 0.00 C ATOM 989 O GLU A 63 -6.610 3.423 -6.805 1.00 0.00 O ATOM 990 CB GLU A 63 -7.419 1.589 -9.293 1.00 0.00 C ATOM 991 CG GLU A 63 -6.200 2.137 -10.019 1.00 0.00 C ATOM 992 CD GLU A 63 -6.329 2.043 -11.529 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.007 0.975 -12.092 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.750 3.039 -12.150 1.00 0.00 O ATOM 0 H GLU A 63 -8.692 -0.102 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.142 1.059 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.727 0.659 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.244 2.293 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.050 3.179 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.314 1.589 -9.699 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.723 2.712 -6.544 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.117 3.866 -5.763 1.00 0.00 C ATOM 1003 C LYS A 64 -8.611 3.752 -4.338 1.00 0.00 C ATOM 1004 O LYS A 64 -7.790 4.548 -3.901 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.633 4.039 -5.786 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.245 3.877 -7.167 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.500 4.716 -7.320 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.652 4.159 -6.500 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.962 4.314 -7.189 1.00 0.00 N ATOM 0 H LYS A 64 -9.466 2.030 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.665 4.750 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.083 3.311 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.883 5.028 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.517 4.167 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.484 2.828 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.293 5.740 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.786 4.754 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.473 3.103 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.688 4.667 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.717 3.920 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.147 5.323 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.939 3.807 -8.097 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.100 2.754 -3.610 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.660 2.576 -2.241 1.00 0.00 C ATOM 1025 C GLY A 65 -7.159 2.478 -2.147 1.00 0.00 C ATOM 1026 O GLY A 65 -6.566 2.874 -1.145 1.00 0.00 O ATOM 0 H GLY A 65 -9.785 2.073 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.009 3.412 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.110 1.673 -1.828 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.537 1.957 -3.198 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.089 1.825 -3.216 1.00 0.00 C ATOM 1032 C ALA A 66 -4.431 3.168 -3.504 1.00 0.00 C ATOM 1033 O ALA A 66 -3.728 3.709 -2.648 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.655 0.783 -4.237 1.00 0.00 C ATOM 0 H ALA A 66 -7.008 1.623 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.765 1.490 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.568 0.701 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.093 -0.182 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.993 1.083 -5.229 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.657 3.721 -4.698 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.061 5.007 -5.039 1.00 0.00 C ATOM 1042 C TYR A 67 -4.377 6.023 -3.956 1.00 0.00 C ATOM 1043 O TYR A 67 -3.493 6.752 -3.501 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.546 5.500 -6.402 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.475 6.184 -7.224 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.695 7.193 -6.680 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.256 5.822 -8.550 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.721 7.822 -7.438 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.280 6.439 -9.304 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.521 7.440 -8.746 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.550 8.063 -9.500 1.00 0.00 O ATOM 0 H TYR A 67 -5.236 3.307 -5.428 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.980 4.880 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.937 4.653 -6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.374 6.193 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.849 7.492 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.860 5.045 -8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.121 8.609 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.113 6.137 -10.327 1.00 0.00 H new ATOM 0 HH TYR A 67 0.164 7.424 -9.707 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.621 6.039 -3.497 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.011 6.948 -2.439 1.00 0.00 C ATOM 1063 C ARG A 68 -5.067 6.789 -1.253 1.00 0.00 C ATOM 1064 O ARG A 68 -4.633 7.776 -0.647 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.451 6.662 -1.991 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.116 7.842 -1.305 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.121 7.388 -0.266 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.127 8.256 0.832 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.626 7.906 2.012 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.167 6.703 2.186 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -9.597 8.757 3.027 1.00 0.00 N ATOM 0 H ARG A 68 -6.369 5.436 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.956 7.969 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.044 6.376 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.449 5.810 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.356 8.463 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.616 8.462 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.116 7.348 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.878 6.378 0.064 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.734 9.191 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.201 6.042 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.548 6.442 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.191 9.684 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.981 8.485 3.932 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.725 5.542 -0.954 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.807 5.271 0.057 1.00 0.00 C ATOM 1087 C VAL A 69 -2.386 5.618 -0.262 1.00 0.00 C ATOM 1088 O VAL A 69 -1.555 5.941 0.514 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.886 3.798 0.495 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.794 3.465 1.503 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.263 3.483 1.065 1.00 0.00 C ATOM 0 H VAL A 69 -5.095 4.717 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.104 5.932 0.872 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.727 3.175 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.875 2.418 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.817 3.642 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.907 4.096 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.300 2.437 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.453 4.119 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.022 3.667 0.305 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.094 5.568 -1.556 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.763 5.902 -2.025 1.00 0.00 C ATOM 1103 C ILE A 70 -0.559 7.406 -2.037 1.00 0.00 C ATOM 1104 O ILE A 70 0.441 7.895 -1.743 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.447 5.303 -3.416 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.967 5.012 -3.531 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.888 6.227 -4.549 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.326 3.559 -3.316 1.00 0.00 C ATOM 0 H ILE A 70 -2.754 5.303 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.064 5.451 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.013 4.376 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.308 5.315 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.510 5.619 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.647 5.768 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.964 6.392 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.368 7.181 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.403 3.431 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.019 3.253 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.814 2.944 -4.057 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.619 8.127 -2.379 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.562 9.578 -2.421 1.00 0.00 C ATOM 1122 C GLU A 71 -1.587 10.143 -1.013 1.00 0.00 C ATOM 1123 O GLU A 71 -0.991 11.187 -0.739 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.742 10.129 -3.224 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.094 9.757 -2.641 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.249 10.315 -3.454 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.567 9.731 -4.514 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.840 11.322 -3.025 1.00 0.00 O ATOM 0 H GLU A 71 -2.525 7.730 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.633 9.877 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.662 11.215 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.681 9.757 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.179 8.671 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.160 10.129 -1.618 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.290 9.455 -0.120 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.382 9.906 1.181 1.00 0.00 C ATOM 1137 C HIS A 72 -1.080 9.650 1.920 1.00 0.00 C ATOM 1138 O HIS A 72 -0.557 10.536 2.597 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.546 9.216 1.897 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.796 9.737 3.272 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.943 10.002 4.290 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -5.057 10.060 3.735 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -3.693 10.476 5.339 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -4.964 10.498 4.978 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.789 8.587 -0.315 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.568 10.980 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.451 9.338 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.343 8.147 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.973 9.969 3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.307 10.781 6.301 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.743 10.802 5.562 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.550 8.443 1.782 1.00 0.00 N ATOM 1154 CA LEU A 73 0.620 8.096 2.437 1.00 0.00 C ATOM 1155 C LEU A 73 1.779 8.838 1.779 1.00 0.00 C ATOM 1156 O LEU A 73 2.718 9.283 2.449 1.00 0.00 O ATOM 1157 CB LEU A 73 0.856 6.578 2.391 1.00 0.00 C ATOM 1158 CG LEU A 73 0.354 5.805 3.609 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.027 6.139 3.883 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.532 4.314 3.399 1.00 0.00 C ATOM 0 H LEU A 73 -0.949 7.704 1.203 1.00 0.00 H new ATOM 0 HA LEU A 73 0.543 8.378 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.370 6.178 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.925 6.396 2.280 1.00 0.00 H new ATOM 0 HG LEU A 73 0.946 6.092 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.371 5.580 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.110 7.208 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.642 5.881 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.170 3.777 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.034 4.000 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.588 4.091 3.248 1.00 0.00 H new ATOM 1172 N ILE A 74 1.696 8.993 0.448 1.00 0.00 N ATOM 1173 CA ILE A 74 2.728 9.698 -0.211 1.00 0.00 C ATOM 1174 C ILE A 74 2.990 11.062 0.342 1.00 0.00 C ATOM 1175 O ILE A 74 4.133 11.424 0.614 1.00 0.00 O ATOM 1176 CB ILE A 74 2.338 9.869 -1.708 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.134 8.886 -2.577 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.558 11.293 -2.199 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.324 8.257 -3.693 1.00 0.00 C ATOM 0 H ILE A 74 0.944 8.643 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 74 3.634 9.109 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 74 1.273 9.653 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.987 9.408 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.533 8.096 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.272 11.364 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.950 11.979 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.610 11.557 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.956 7.575 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.486 7.705 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.947 9.038 -4.353 1.00 0.00 H new ATOM 1191 N LYS A 75 1.916 11.807 0.599 1.00 0.00 N ATOM 1192 CA LYS A 75 2.026 13.112 1.213 1.00 0.00 C ATOM 1193 C LYS A 75 2.318 12.973 2.699 1.00 0.00 C ATOM 1194 O LYS A 75 3.010 13.811 3.280 1.00 0.00 O ATOM 1195 CB LYS A 75 0.728 13.892 0.992 1.00 0.00 C ATOM 1196 CG LYS A 75 0.367 14.069 -0.389 1.00 0.00 C ATOM 1197 CD LYS A 75 -0.185 15.425 -0.647 1.00 0.00 C ATOM 1198 CE LYS A 75 0.770 16.533 -0.626 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.417 17.644 -1.558 1.00 0.00 N ATOM 0 H LYS A 75 0.960 11.520 0.387 1.00 0.00 H new ATOM 0 HA LYS A 75 2.851 13.657 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.084 13.374 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.824 14.873 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.243 13.908 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.370 13.317 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.674 15.415 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.957 15.626 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.834 16.927 0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.759 16.154 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.135 18.394 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.383 17.282 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.513 18.031 -1.300 1.00 0.00 H new ATOM 1213 N ASN A 76 1.800 11.917 3.307 1.00 0.00 N ATOM 1214 CA ASN A 76 2.030 11.671 4.727 1.00 0.00 C ATOM 1215 C ASN A 76 3.519 11.763 5.032 1.00 0.00 C ATOM 1216 O ASN A 76 3.924 12.404 6.009 1.00 0.00 O ATOM 1217 CB ASN A 76 1.500 10.291 5.126 1.00 0.00 C ATOM 1218 CG ASN A 76 1.338 10.145 6.623 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.304 10.255 7.377 1.00 0.00 O ATOM 1220 ND2 ASN A 76 0.117 9.895 7.067 1.00 0.00 N ATOM 0 H ASN A 76 1.220 11.218 2.844 1.00 0.00 H new ATOM 0 HA ASN A 76 1.497 12.427 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.539 10.120 4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.182 9.523 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.050 9.786 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.658 9.811 6.409 1.00 0.00 H new ATOM 1227 N GLU A 77 4.322 11.141 4.177 1.00 0.00 N ATOM 1228 CA GLU A 77 5.777 11.169 4.331 1.00 0.00 C ATOM 1229 C GLU A 77 6.448 10.255 3.327 1.00 0.00 C ATOM 1230 O GLU A 77 7.478 9.637 3.618 1.00 0.00 O ATOM 1231 CB GLU A 77 6.174 10.768 5.754 1.00 0.00 C ATOM 1232 CG GLU A 77 5.508 9.496 6.236 1.00 0.00 C ATOM 1233 CD GLU A 77 6.458 8.592 7.001 1.00 0.00 C ATOM 1234 OE1 GLU A 77 7.670 8.627 6.704 1.00 0.00 O ATOM 1235 OE2 GLU A 77 5.993 7.859 7.896 1.00 0.00 O ATOM 0 H GLU A 77 3.994 10.611 3.370 1.00 0.00 H new ATOM 0 HA GLU A 77 6.114 12.189 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.256 10.640 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.921 11.581 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.663 9.753 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.107 8.954 5.380 1.00 0.00 H new ATOM 1242 N ILE A 78 5.860 10.189 2.131 1.00 0.00 N ATOM 1243 CA ILE A 78 6.361 9.363 1.036 1.00 0.00 C ATOM 1244 C ILE A 78 7.127 8.135 1.524 1.00 0.00 C ATOM 1245 O ILE A 78 8.098 7.711 0.908 1.00 0.00 O ATOM 1246 CB ILE A 78 7.227 10.175 0.065 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.711 9.291 -1.004 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.395 10.834 0.768 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.458 9.873 -2.372 1.00 0.00 C ATOM 0 H ILE A 78 5.017 10.712 1.896 1.00 0.00 H new ATOM 0 HA ILE A 78 5.479 9.008 0.504 1.00 0.00 H new ATOM 0 HB ILE A 78 6.614 10.971 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.779 9.117 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.218 8.322 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.983 11.399 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.022 11.508 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.022 10.069 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.831 9.188 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.387 10.023 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.973 10.830 -2.461 1.00 0.00 H new ATOM 1261 N GLU A 79 6.670 7.559 2.623 1.00 0.00 N ATOM 1262 CA GLU A 79 7.294 6.366 3.150 1.00 0.00 C ATOM 1263 C GLU A 79 6.854 5.173 2.326 1.00 0.00 C ATOM 1264 O GLU A 79 7.388 4.076 2.448 1.00 0.00 O ATOM 1265 CB GLU A 79 6.929 6.161 4.626 1.00 0.00 C ATOM 1266 CG GLU A 79 5.445 5.931 4.855 1.00 0.00 C ATOM 1267 CD GLU A 79 5.104 5.790 6.326 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.751 4.972 7.016 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.181 6.500 6.790 1.00 0.00 O ATOM 0 H GLU A 79 5.874 7.899 3.162 1.00 0.00 H new ATOM 0 HA GLU A 79 8.377 6.474 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.485 5.308 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.246 7.035 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.881 6.762 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.133 5.032 4.324 1.00 0.00 H new ATOM 1276 N ILE A 80 5.867 5.419 1.456 1.00 0.00 N ATOM 1277 CA ILE A 80 5.329 4.402 0.579 1.00 0.00 C ATOM 1278 C ILE A 80 6.440 3.690 -0.104 1.00 0.00 C ATOM 1279 O ILE A 80 6.674 2.503 0.026 1.00 0.00 O ATOM 1280 CB ILE A 80 4.352 5.035 -0.341 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.224 5.734 0.327 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.807 3.996 -1.309 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.071 6.137 -0.474 1.00 0.00 C ATOM 0 H ILE A 80 5.427 6.333 1.349 1.00 0.00 H new ATOM 0 HA ILE A 80 4.787 3.637 1.136 1.00 0.00 H new ATOM 0 HB ILE A 80 4.909 5.811 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.861 5.086 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.625 6.630 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.090 4.466 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.627 3.574 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.312 3.202 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.340 6.633 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.394 6.823 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.618 5.256 -0.928 1.00 0.00 H new ATOM 1295 N TRP A 81 7.121 4.426 -0.972 1.00 0.00 N ATOM 1296 CA TRP A 81 8.204 3.860 -1.768 1.00 0.00 C ATOM 1297 C TRP A 81 9.100 2.955 -0.931 1.00 0.00 C ATOM 1298 O TRP A 81 9.659 1.980 -1.442 1.00 0.00 O ATOM 1299 CB TRP A 81 9.023 4.967 -2.419 1.00 0.00 C ATOM 1300 CG TRP A 81 8.200 5.952 -3.200 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.598 7.183 -3.638 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.838 5.794 -3.629 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.573 7.797 -4.309 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.486 6.971 -4.319 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.888 4.779 -3.504 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.216 7.155 -4.870 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.640 4.967 -4.051 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.310 6.150 -4.732 1.00 0.00 C ATOM 0 H TRP A 81 6.944 5.416 -1.143 1.00 0.00 H new ATOM 0 HA TRP A 81 7.755 3.249 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.574 5.501 -1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.761 4.517 -3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.577 7.610 -3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.615 8.724 -4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.129 3.862 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.961 8.067 -5.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.898 4.188 -3.955 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.322 6.263 -5.153 1.00 0.00 H new ATOM 1319 N ARG A 82 9.228 3.268 0.269 1.00 0.00 N ATOM 1320 CA ARG A 82 10.053 2.461 1.157 1.00 0.00 C ATOM 1321 C ARG A 82 9.509 1.038 1.245 1.00 0.00 C ATOM 1322 O ARG A 82 10.273 0.066 1.186 1.00 0.00 O ATOM 1323 CB ARG A 82 10.109 3.094 2.549 1.00 0.00 C ATOM 1324 CG ARG A 82 11.524 3.312 3.055 1.00 0.00 C ATOM 1325 CD ARG A 82 11.923 4.775 2.993 1.00 0.00 C ATOM 1326 NE ARG A 82 12.894 5.126 4.032 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.578 5.298 5.312 1.00 0.00 C ATOM 1328 NH1 ARG A 82 11.324 5.155 5.719 1.00 0.00 N ATOM 1329 NH2 ARG A 82 13.522 5.612 6.195 1.00 0.00 N ATOM 0 H ARG A 82 8.787 4.077 0.707 1.00 0.00 H new ATOM 0 HA ARG A 82 11.063 2.421 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.588 4.051 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.574 2.456 3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.602 2.957 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.219 2.720 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.347 4.993 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.035 5.397 3.102 1.00 0.00 H new ATOM 0 HE ARG A 82 13.869 5.245 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.595 4.912 5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.089 5.288 6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.489 5.721 5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.279 5.744 7.177 1.00 0.00 H new ATOM 1343 N GLU A 83 8.203 0.907 1.391 1.00 0.00 N ATOM 1344 CA GLU A 83 7.569 -0.319 1.494 1.00 0.00 C ATOM 1345 C GLU A 83 7.165 -0.842 0.121 1.00 0.00 C ATOM 1346 O GLU A 83 7.038 -2.053 -0.023 1.00 0.00 O ATOM 1347 CB GLU A 83 6.351 -0.272 2.416 1.00 0.00 C ATOM 1348 CG GLU A 83 5.379 0.771 2.082 1.00 0.00 C ATOM 1349 CD GLU A 83 3.942 0.404 2.382 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.717 -0.367 3.270 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.033 0.967 1.734 1.00 0.00 O ATOM 0 H GLU A 83 7.566 1.702 1.439 1.00 0.00 H new ATOM 0 HA GLU A 83 8.291 -1.004 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.851 -1.240 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.692 -0.120 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.633 1.677 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.467 1.007 1.022 1.00 0.00 H new ATOM 1358 N LEU A 84 6.977 0.000 -0.742 1.00 0.00 N ATOM 1359 CA LEU A 84 6.601 -0.312 -2.096 1.00 0.00 C ATOM 1360 C LEU A 84 7.817 -0.846 -2.850 1.00 0.00 C ATOM 1361 O LEU A 84 7.674 -1.607 -3.804 1.00 0.00 O ATOM 1362 CB LEU A 84 5.993 0.803 -2.838 1.00 0.00 C ATOM 1363 CG LEU A 84 4.520 1.093 -2.511 1.00 0.00 C ATOM 1364 CD1 LEU A 84 3.597 0.146 -3.256 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.262 1.020 -1.016 1.00 0.00 C ATOM 0 H LEU A 84 7.073 1.001 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 84 5.820 -1.070 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.574 1.705 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.075 0.594 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 84 4.307 2.109 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.561 0.375 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.745 0.263 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.821 -0.881 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.211 1.230 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.508 0.022 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.882 1.756 -0.503 1.00 0.00 H new ATOM 1377 N THR A 85 9.002 -0.450 -2.400 1.00 0.00 N ATOM 1378 CA THR A 85 10.240 -0.915 -3.015 1.00 0.00 C ATOM 1379 C THR A 85 10.690 -2.212 -2.353 1.00 0.00 C ATOM 1380 O THR A 85 11.243 -3.095 -3.006 1.00 0.00 O ATOM 1381 CB THR A 85 11.331 0.073 -2.900 1.00 0.00 C ATOM 1382 OG1 THR A 85 12.465 -0.204 -3.681 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.810 0.292 -1.483 1.00 0.00 C ATOM 0 H THR A 85 9.132 0.189 -1.615 1.00 0.00 H new ATOM 0 HA THR A 85 10.030 -1.070 -4.073 1.00 0.00 H new ATOM 0 HB THR A 85 10.850 0.975 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.135 0.499 -3.546 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.612 1.031 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.983 0.652 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.181 -0.648 -1.075 1.00 0.00 H new ATOM 1391 N ALA A 86 10.428 -2.320 -1.058 1.00 0.00 N ATOM 1392 CA ALA A 86 10.782 -3.514 -0.310 1.00 0.00 C ATOM 1393 C ALA A 86 9.752 -4.618 -0.525 1.00 0.00 C ATOM 1394 O ALA A 86 10.059 -5.806 -0.417 1.00 0.00 O ATOM 1395 CB ALA A 86 10.891 -3.183 1.094 1.00 0.00 C ATOM 0 H ALA A 86 9.972 -1.594 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 86 11.742 -3.886 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.157 -4.077 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.662 -2.425 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.936 -2.798 1.452 1.00 0.00 H new ATOM 1401 N LYS A 87 8.525 -4.217 -0.855 1.00 0.00 N ATOM 1402 CA LYS A 87 7.441 -5.146 -1.103 1.00 0.00 C ATOM 1403 C LYS A 87 6.771 -4.824 -2.440 1.00 0.00 C ATOM 1404 O LYS A 87 6.794 -3.684 -2.889 1.00 0.00 O ATOM 1405 CB LYS A 87 6.421 -5.075 0.000 1.00 0.00 C ATOM 1406 CG LYS A 87 5.727 -6.398 0.231 1.00 0.00 C ATOM 1407 CD LYS A 87 4.862 -6.315 1.474 1.00 0.00 C ATOM 1408 CE LYS A 87 3.799 -7.404 1.486 1.00 0.00 C ATOM 1409 NZ LYS A 87 3.936 -8.295 2.675 1.00 0.00 N ATOM 0 H LYS A 87 8.262 -3.237 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 87 7.854 -6.154 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.909 -4.758 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.678 -4.316 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.114 -6.653 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.466 -7.192 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.488 -6.406 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.383 -5.337 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.810 -6.947 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.876 -7.998 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.239 -9.064 2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.895 -8.698 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.770 -7.745 3.542 1.00 0.00 H new ATOM 1423 N TYR A 88 6.183 -5.839 -3.064 1.00 0.00 N ATOM 1424 CA TYR A 88 5.510 -5.671 -4.356 1.00 0.00 C ATOM 1425 C TYR A 88 6.322 -4.781 -5.302 1.00 0.00 C ATOM 1426 O TYR A 88 5.755 -4.090 -6.150 1.00 0.00 O ATOM 1427 CB TYR A 88 4.101 -5.097 -4.172 1.00 0.00 C ATOM 1428 CG TYR A 88 3.864 -4.425 -2.831 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.484 -5.169 -1.718 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.004 -3.052 -2.688 1.00 0.00 C ATOM 1431 CE1 TYR A 88 3.252 -4.554 -0.504 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.778 -2.439 -1.475 1.00 0.00 C ATOM 1433 CZ TYR A 88 3.400 -3.188 -0.389 1.00 0.00 C ATOM 1434 OH TYR A 88 3.173 -2.578 0.744 1.00 0.00 O ATOM 0 H TYR A 88 6.157 -6.791 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 88 5.428 -6.660 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.911 -4.374 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.376 -5.902 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.369 -6.239 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.294 -2.455 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.956 -5.141 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.898 -1.370 -1.379 1.00 0.00 H new ATOM 0 HH TYR A 88 3.330 -1.617 0.635 1.00 0.00 H new ATOM 1444 N ASP A 89 7.637 -4.802 -5.152 1.00 0.00 N ATOM 1445 CA ASP A 89 8.516 -3.987 -5.997 1.00 0.00 C ATOM 1446 C ASP A 89 8.999 -4.745 -7.234 1.00 0.00 C ATOM 1447 O ASP A 89 8.940 -4.223 -8.343 1.00 0.00 O ATOM 1448 CB ASP A 89 9.710 -3.485 -5.193 1.00 0.00 C ATOM 1449 CG ASP A 89 10.597 -2.551 -5.993 1.00 0.00 C ATOM 1450 OD1 ASP A 89 10.131 -1.448 -6.352 1.00 0.00 O ATOM 1451 OD2 ASP A 89 11.760 -2.918 -6.262 1.00 0.00 O ATOM 0 H ASP A 89 8.124 -5.370 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 89 7.928 -3.137 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.353 -2.968 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.299 -4.337 -4.852 1.00 0.00 H new ATOM 1456 N PRO A 90 9.498 -5.985 -7.072 1.00 0.00 N ATOM 1457 CA PRO A 90 10.004 -6.777 -8.191 1.00 0.00 C ATOM 1458 C PRO A 90 8.889 -7.442 -8.993 1.00 0.00 C ATOM 1459 O PRO A 90 9.074 -7.773 -10.165 1.00 0.00 O ATOM 1460 CB PRO A 90 10.869 -7.835 -7.503 1.00 0.00 C ATOM 1461 CG PRO A 90 10.239 -8.033 -6.172 1.00 0.00 C ATOM 1462 CD PRO A 90 9.631 -6.707 -5.782 1.00 0.00 C ATOM 0 HA PRO A 90 10.541 -6.163 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.887 -8.763 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.902 -7.500 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.477 -8.811 -6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.978 -8.352 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.664 -6.838 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.269 -6.165 -5.084 1.00 0.00 H new ATOM 1470 N THR A 91 7.737 -7.634 -8.365 1.00 0.00 N ATOM 1471 CA THR A 91 6.601 -8.258 -9.025 1.00 0.00 C ATOM 1472 C THR A 91 5.489 -7.249 -9.295 1.00 0.00 C ATOM 1473 O THR A 91 4.600 -7.496 -10.106 1.00 0.00 O ATOM 1474 CB THR A 91 6.059 -9.414 -8.177 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.569 -9.350 -6.853 1.00 0.00 O ATOM 1476 CG2 THR A 91 6.400 -10.778 -8.734 1.00 0.00 C ATOM 0 H THR A 91 7.565 -7.365 -7.396 1.00 0.00 H new ATOM 0 HA THR A 91 6.949 -8.646 -9.982 1.00 0.00 H new ATOM 0 HB THR A 91 4.976 -9.295 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.210 -10.095 -6.328 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.986 -11.550 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.977 -10.879 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.483 -10.890 -8.785 1.00 0.00 H new ATOM 1484 N GLY A 92 5.548 -6.112 -8.606 1.00 0.00 N ATOM 1485 CA GLY A 92 4.538 -5.088 -8.796 1.00 0.00 C ATOM 1486 C GLY A 92 4.567 -4.490 -10.183 1.00 0.00 C ATOM 1487 O GLY A 92 3.745 -4.825 -11.026 1.00 0.00 O ATOM 0 H GLY A 92 6.272 -5.884 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.553 -5.516 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.686 -4.297 -8.061 1.00 0.00 H new ATOM 1491 N ASN A 93 5.524 -3.594 -10.418 1.00 0.00 N ATOM 1492 CA ASN A 93 5.684 -2.933 -11.706 1.00 0.00 C ATOM 1493 C ASN A 93 4.711 -1.761 -11.866 1.00 0.00 C ATOM 1494 O ASN A 93 4.930 -0.863 -12.674 1.00 0.00 O ATOM 1495 CB ASN A 93 5.467 -3.941 -12.810 1.00 0.00 C ATOM 1496 CG ASN A 93 6.113 -3.541 -14.121 1.00 0.00 C ATOM 1497 OD1 ASN A 93 7.335 -3.536 -14.250 1.00 0.00 O ATOM 1498 ND2 ASN A 93 5.289 -3.193 -15.103 1.00 0.00 N ATOM 0 H ASN A 93 6.209 -3.308 -9.719 1.00 0.00 H new ATOM 0 HA ASN A 93 6.695 -2.528 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.866 -4.906 -12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.396 -4.074 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.665 -2.907 -16.007 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.280 -3.211 -14.953 1.00 0.00 H new ATOM 1505 N TRP A 94 3.644 -1.773 -11.072 1.00 0.00 N ATOM 1506 CA TRP A 94 2.650 -0.713 -11.112 1.00 0.00 C ATOM 1507 C TRP A 94 3.081 0.371 -10.213 1.00 0.00 C ATOM 1508 O TRP A 94 2.460 1.431 -10.201 1.00 0.00 O ATOM 1509 CB TRP A 94 1.281 -1.272 -10.691 1.00 0.00 C ATOM 1510 CG TRP A 94 1.141 -2.733 -11.013 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.460 -3.779 -10.202 1.00 0.00 C ATOM 1512 CD2 TRP A 94 0.664 -3.306 -12.238 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.237 -4.968 -10.851 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.736 -4.708 -12.100 1.00 0.00 C ATOM 1515 CE3 TRP A 94 0.196 -2.784 -13.443 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 0.355 -5.586 -13.107 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -0.113 -3.652 -14.444 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -0.032 -5.041 -14.271 1.00 0.00 C ATOM 0 H TRP A 94 3.448 -2.508 -10.393 1.00 0.00 H new ATOM 0 HA TRP A 94 2.555 -0.317 -12.123 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.143 -1.123 -9.620 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.492 -0.713 -11.195 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.835 -3.687 -9.193 1.00 0.00 H new ATOM 0 HE1 TRP A 94 1.415 -5.895 -10.466 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.082 -1.719 -13.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.370 -6.656 -12.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -0.430 -3.260 -15.399 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -0.288 -5.689 -15.096 1.00 0.00 H new ATOM 1529 N ARG A 95 4.183 0.163 -9.485 1.00 0.00 N ATOM 1530 CA ARG A 95 4.733 1.176 -8.613 1.00 0.00 C ATOM 1531 C ARG A 95 5.001 2.443 -9.411 1.00 0.00 C ATOM 1532 O ARG A 95 4.836 3.549 -8.914 1.00 0.00 O ATOM 1533 CB ARG A 95 6.029 0.689 -7.965 1.00 0.00 C ATOM 1534 CG ARG A 95 5.939 0.524 -6.453 1.00 0.00 C ATOM 1535 CD ARG A 95 5.855 -0.854 -6.048 1.00 0.00 C ATOM 1536 NE ARG A 95 5.009 -1.623 -6.962 1.00 0.00 N ATOM 1537 CZ ARG A 95 3.701 -1.432 -7.100 1.00 0.00 C ATOM 1538 NH1 ARG A 95 3.071 -0.517 -6.378 1.00 0.00 N ATOM 1539 NH2 ARG A 95 3.017 -2.161 -7.968 1.00 0.00 N ATOM 0 H ARG A 95 4.708 -0.712 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 95 4.011 1.385 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.309 -0.266 -8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.827 1.394 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.813 0.982 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.065 1.060 -6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.854 -1.289 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.452 -0.915 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 95 5.450 -2.349 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.590 0.050 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.067 -0.379 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.494 -2.867 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.013 -2.017 -8.076 1.00 0.00 H new ATOM 1553 N LYS A 96 5.412 2.256 -10.663 1.00 0.00 N ATOM 1554 CA LYS A 96 5.700 3.383 -11.538 1.00 0.00 C ATOM 1555 C LYS A 96 4.507 4.326 -11.612 1.00 0.00 C ATOM 1556 O LYS A 96 4.676 5.543 -11.697 1.00 0.00 O ATOM 1557 CB LYS A 96 6.078 2.895 -12.937 1.00 0.00 C ATOM 1558 CG LYS A 96 6.917 3.884 -13.726 1.00 0.00 C ATOM 1559 CD LYS A 96 6.056 4.738 -14.641 1.00 0.00 C ATOM 1560 CE LYS A 96 5.950 4.134 -16.031 1.00 0.00 C ATOM 1561 NZ LYS A 96 5.633 2.682 -15.979 1.00 0.00 N ATOM 0 H LYS A 96 5.552 1.340 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 96 6.546 3.929 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.626 1.957 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.167 2.680 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.467 4.526 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.656 3.345 -14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.060 4.842 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.480 5.740 -14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.177 4.655 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.889 4.282 -16.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.469 2.328 -16.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.430 2.168 -15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.778 2.534 -15.405 1.00 0.00 H new ATOM 1575 N LYS A 97 3.303 3.758 -11.567 1.00 0.00 N ATOM 1576 CA LYS A 97 2.093 4.565 -11.603 1.00 0.00 C ATOM 1577 C LYS A 97 2.004 5.417 -10.351 1.00 0.00 C ATOM 1578 O LYS A 97 1.912 6.649 -10.415 1.00 0.00 O ATOM 1579 CB LYS A 97 0.858 3.671 -11.732 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.335 4.295 -11.172 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.567 3.547 -11.647 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.968 2.455 -10.669 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.882 1.452 -11.295 1.00 0.00 N ATOM 0 H LYS A 97 3.144 2.752 -11.506 1.00 0.00 H new ATOM 0 HA LYS A 97 2.132 5.221 -12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.686 3.441 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.043 2.724 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.287 4.284 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.390 5.340 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.393 4.247 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.372 3.107 -12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.074 1.951 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.459 2.904 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.279 0.836 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.655 1.945 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.350 0.876 -11.978 1.00 0.00 H new ATOM 1597 N TYR A 98 2.057 4.756 -9.200 1.00 0.00 N ATOM 1598 CA TYR A 98 1.994 5.455 -7.930 1.00 0.00 C ATOM 1599 C TYR A 98 3.186 6.389 -7.766 1.00 0.00 C ATOM 1600 O TYR A 98 3.112 7.388 -7.052 1.00 0.00 O ATOM 1601 CB TYR A 98 1.974 4.448 -6.778 1.00 0.00 C ATOM 1602 CG TYR A 98 0.677 3.688 -6.609 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.448 4.195 -7.065 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.665 2.456 -5.967 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.629 3.498 -6.885 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.428 1.751 -5.786 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.611 2.280 -6.243 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.786 1.581 -6.068 1.00 0.00 O ATOM 0 H TYR A 98 2.143 3.742 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 98 1.079 6.048 -7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.780 3.730 -6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.190 4.977 -5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.449 5.147 -7.575 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.600 2.059 -5.599 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.561 3.907 -7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.398 0.789 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.597 0.619 -6.061 1.00 0.00 H new ATOM 1618 N GLU A 99 4.293 6.065 -8.436 1.00 0.00 N ATOM 1619 CA GLU A 99 5.495 6.876 -8.363 1.00 0.00 C ATOM 1620 C GLU A 99 5.409 8.071 -9.309 1.00 0.00 C ATOM 1621 O GLU A 99 5.909 9.152 -8.998 1.00 0.00 O ATOM 1622 CB GLU A 99 6.724 6.018 -8.696 1.00 0.00 C ATOM 1623 CG GLU A 99 7.984 6.820 -8.950 1.00 0.00 C ATOM 1624 CD GLU A 99 9.201 6.230 -8.269 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.355 6.431 -7.044 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.007 5.573 -8.955 1.00 0.00 O ATOM 0 H GLU A 99 4.375 5.243 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 99 5.591 7.259 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.905 5.326 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.505 5.415 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.165 6.875 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.836 7.841 -8.599 1.00 0.00 H new ATOM 1633 N ASP A 100 4.780 7.865 -10.469 1.00 0.00 N ATOM 1634 CA ASP A 100 4.635 8.931 -11.452 1.00 0.00 C ATOM 1635 C ASP A 100 3.990 10.171 -10.826 1.00 0.00 C ATOM 1636 O ASP A 100 4.436 11.291 -11.047 1.00 0.00 O ATOM 1637 CB ASP A 100 3.822 8.433 -12.655 1.00 0.00 C ATOM 1638 CG ASP A 100 2.362 8.854 -12.616 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.093 10.067 -12.769 1.00 0.00 O ATOM 1640 OD2 ASP A 100 1.492 7.977 -12.439 1.00 0.00 O ATOM 0 H ASP A 100 4.367 6.974 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 100 5.627 9.218 -11.801 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.276 8.810 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.877 7.345 -12.696 1.00 0.00 H new ATOM 1645 N ARG A 101 2.941 9.949 -10.043 1.00 0.00 N ATOM 1646 CA ARG A 101 2.240 11.047 -9.385 1.00 0.00 C ATOM 1647 C ARG A 101 3.191 11.858 -8.520 1.00 0.00 C ATOM 1648 O ARG A 101 3.209 13.097 -8.588 1.00 0.00 O ATOM 1649 CB ARG A 101 1.107 10.503 -8.526 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.076 11.328 -8.646 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.769 11.489 -7.304 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.312 12.839 -7.131 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.246 13.150 -6.233 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.743 12.219 -5.430 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.690 14.398 -6.141 1.00 0.00 N ATOM 0 H ARG A 101 2.558 9.024 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 101 1.831 11.699 -10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.875 9.482 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.423 10.463 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.198 12.308 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.764 10.880 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.575 10.760 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.062 11.276 -6.502 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.955 13.582 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.410 11.257 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.458 12.465 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.316 15.119 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.405 14.636 -5.453 1.00 0.00 H new ATOM 1669 N ALA A 102 3.981 11.174 -7.708 1.00 0.00 N ATOM 1670 CA ALA A 102 4.945 11.834 -6.839 1.00 0.00 C ATOM 1671 C ALA A 102 5.879 12.743 -7.622 1.00 0.00 C ATOM 1672 O ALA A 102 6.528 13.619 -7.056 1.00 0.00 O ATOM 1673 CB ALA A 102 5.740 10.796 -6.055 1.00 0.00 C ATOM 0 H ALA A 102 3.974 10.157 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 102 4.391 12.461 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.458 11.300 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.060 10.200 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.271 10.145 -6.749 1.00 0.00 H new ATOM 1679 N LYS A 103 5.924 12.538 -8.935 1.00 0.00 N ATOM 1680 CA LYS A 103 6.779 13.352 -9.791 1.00 0.00 C ATOM 1681 C LYS A 103 6.065 14.633 -10.186 1.00 0.00 C ATOM 1682 O LYS A 103 6.678 15.698 -10.306 1.00 0.00 O ATOM 1683 CB LYS A 103 7.180 12.570 -11.046 1.00 0.00 C ATOM 1684 CG LYS A 103 8.211 13.284 -11.904 1.00 0.00 C ATOM 1685 CD LYS A 103 9.151 12.304 -12.581 1.00 0.00 C ATOM 1686 CE LYS A 103 10.490 12.951 -12.893 1.00 0.00 C ATOM 1687 NZ LYS A 103 11.201 12.249 -14.005 1.00 0.00 N ATOM 0 H LYS A 103 5.385 11.824 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 103 7.680 13.607 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.577 11.600 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.290 12.380 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.704 13.883 -12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.786 13.972 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.304 11.439 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.697 11.939 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.335 13.995 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.115 12.942 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.110 12.720 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.372 11.259 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.616 12.279 -14.865 1.00 0.00 H new ATOM 1701 N ALA A 104 4.751 14.532 -10.370 1.00 0.00 N ATOM 1702 CA ALA A 104 3.937 15.687 -10.734 1.00 0.00 C ATOM 1703 C ALA A 104 3.731 16.592 -9.525 1.00 0.00 C ATOM 1704 O ALA A 104 3.632 17.812 -9.665 1.00 0.00 O ATOM 1705 CB ALA A 104 2.598 15.237 -11.297 1.00 0.00 C ATOM 0 H ALA A 104 4.228 13.662 -10.273 1.00 0.00 H new ATOM 0 HA ALA A 104 4.461 16.253 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.003 16.111 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.763 14.626 -12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.066 14.651 -10.547 1.00 0.00 H new ATOM 1711 N ALA A 105 3.673 15.986 -8.342 1.00 0.00 N ATOM 1712 CA ALA A 105 3.483 16.742 -7.113 1.00 0.00 C ATOM 1713 C ALA A 105 4.816 17.184 -6.525 1.00 0.00 C ATOM 1714 O ALA A 105 4.941 18.295 -6.015 1.00 0.00 O ATOM 1715 CB ALA A 105 2.706 15.912 -6.104 1.00 0.00 C ATOM 0 H ALA A 105 3.755 14.978 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 105 2.911 17.639 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.569 16.487 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.732 15.653 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.259 15.000 -5.881 1.00 0.00 H new ATOM 1721 N GLY A 106 5.811 16.300 -6.577 1.00 0.00 N ATOM 1722 CA GLY A 106 7.116 16.609 -6.046 1.00 0.00 C ATOM 1723 C GLY A 106 7.486 15.691 -4.893 1.00 0.00 C ATOM 1724 O GLY A 106 8.651 15.361 -4.693 1.00 0.00 O ATOM 0 H GLY A 106 5.728 15.368 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.861 16.519 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.135 17.645 -5.707 1.00 0.00 H new ATOM 1728 N ILE A 107 6.470 15.283 -4.138 1.00 0.00 N ATOM 1729 CA ILE A 107 6.659 14.389 -3.007 1.00 0.00 C ATOM 1730 C ILE A 107 7.375 13.114 -3.428 1.00 0.00 C ATOM 1731 O ILE A 107 6.762 12.206 -3.979 1.00 0.00 O ATOM 1732 CB ILE A 107 5.301 14.031 -2.358 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.473 12.974 -1.272 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.322 13.539 -3.411 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.301 13.448 -0.104 1.00 0.00 C ATOM 0 H ILE A 107 5.501 15.562 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 107 7.277 14.912 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 107 4.902 14.935 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.490 12.670 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.941 12.090 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.372 13.292 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.164 14.320 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.727 12.652 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.384 12.648 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.296 13.725 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.822 14.314 0.354 1.00 0.00 H new ATOM 1747 N VAL A 108 8.669 13.042 -3.143 1.00 0.00 N ATOM 1748 CA VAL A 108 9.456 11.872 -3.474 1.00 0.00 C ATOM 1749 C VAL A 108 10.167 11.327 -2.244 1.00 0.00 C ATOM 1750 O VAL A 108 10.361 12.050 -1.262 1.00 0.00 O ATOM 1751 CB VAL A 108 10.493 12.160 -4.574 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.060 10.853 -5.109 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.870 12.976 -5.700 1.00 0.00 C ATOM 0 H VAL A 108 9.193 13.786 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 108 8.756 11.126 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 108 11.306 12.745 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.793 11.066 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.540 10.306 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.253 10.250 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.620 13.169 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.039 12.420 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.505 13.923 -5.304 1.00 0.00 H new ATOM 1763 N ILE A 109 10.547 10.056 -2.285 1.00 0.00 N ATOM 1764 CA ILE A 109 11.234 9.412 -1.169 1.00 0.00 C ATOM 1765 C ILE A 109 12.333 10.318 -0.598 1.00 0.00 C ATOM 1766 O ILE A 109 13.104 10.915 -1.355 1.00 0.00 O ATOM 1767 CB ILE A 109 11.830 8.057 -1.597 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.047 7.163 -0.375 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.129 8.237 -2.367 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.760 6.763 0.234 1.00 0.00 C ATOM 0 H ILE A 109 10.390 9.445 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 109 10.496 9.234 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 109 11.117 7.573 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.605 6.274 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.652 7.691 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.521 7.261 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.942 8.829 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.857 8.750 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.949 6.128 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.214 7.653 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.167 6.213 -0.497 1.00 0.00 H new ATOM 1782 N PRO A 110 12.421 10.433 0.656 1.00 0.00 N ATOM 1783 CA PRO A 110 13.422 11.267 1.299 1.00 0.00 C ATOM 1784 C PRO A 110 14.802 10.609 1.315 1.00 0.00 C ATOM 1785 O PRO A 110 15.390 10.393 2.378 1.00 0.00 O ATOM 1786 CB PRO A 110 12.888 11.438 2.724 1.00 0.00 C ATOM 1787 CG PRO A 110 12.060 10.219 2.964 1.00 0.00 C ATOM 1788 CD PRO A 110 11.550 9.757 1.633 1.00 0.00 C ATOM 0 HA PRO A 110 13.565 12.210 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.701 11.513 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.293 12.346 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.654 9.439 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.232 10.443 3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.611 8.673 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.505 10.031 1.491 1.00 0.00 H new ATOM 1796 N GLU A 111 15.307 10.291 0.141 1.00 0.00 N ATOM 1797 CA GLU A 111 16.608 9.657 0.017 1.00 0.00 C ATOM 1798 C GLU A 111 17.729 10.658 0.294 1.00 0.00 C ATOM 1799 O GLU A 111 18.380 11.157 -0.547 1.00 0.00 O ATOM 1800 CB GLU A 111 16.777 9.078 -1.330 1.00 0.00 C ATOM 1801 CG GLU A 111 16.140 9.913 -2.426 1.00 0.00 C ATOM 1802 CD GLU A 111 16.634 9.542 -3.809 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.094 8.589 -4.399 1.00 0.00 O ATOM 1804 OE2 GLU A 111 17.571 10.204 -4.296 1.00 0.00 O ATOM 0 H GLU A 111 14.835 10.461 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 111 16.662 8.857 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.841 8.967 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.343 8.078 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.058 9.791 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.349 10.967 -2.241 1.00 0.00 H new ATOM 1811 N GLU A 112 17.942 10.930 1.567 1.00 0.00 N ATOM 1812 CA GLU A 112 18.976 11.868 1.986 1.00 0.00 C ATOM 1813 C GLU A 112 19.246 11.743 3.484 1.00 0.00 C ATOM 1814 O GLU A 112 18.279 11.824 4.264 1.00 0.00 O ATOM 1815 CB GLU A 112 18.569 13.296 1.645 1.00 0.00 C ATOM 1816 CG GLU A 112 19.732 14.182 1.240 1.00 0.00 C ATOM 1817 CD GLU A 112 19.321 15.278 0.300 1.00 0.00 C ATOM 1818 OE1 GLU A 112 18.117 15.617 0.257 1.00 0.00 O ATOM 1819 OE2 GLU A 112 20.204 15.812 -0.340 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.425 11.564 3.859 1.00 0.00 O ATOM 0 H GLU A 112 17.413 10.515 2.334 1.00 0.00 H new ATOM 0 HA GLU A 112 19.892 11.625 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.842 13.273 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.070 13.738 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.177 14.622 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.502 13.572 0.767 1.00 0.00 H new