USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 103 GLN : amide:sc= 0.817 K(o=-1.3,f=-4.9) USER MOD Set 1.2: A 105 ASN : amide:sc= -2.09! C(o=-1.3!,f=-4.6!) USER MOD Single : A 9 TYR OH : rot -97:sc= 1.23 USER MOD Single : A 12 TYR OH : rot -15:sc= -2.34 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 173:sc= -0.953! USER MOD Single : A 21 HIS : no HD1:sc= -4.55 K(o=-4.6,f=-7.9!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0499 F(o=-0.66,f=-0.05) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -14:sc= 1.13 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0689) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.0061 (180deg=-0.133) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0933 F(o=-0.88,f=-0.093) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.309) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 68 ASN :FLIP amide:sc= -0.715! F(o=-1.5,f=-0.72!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-12!) USER MOD Single : A 87 THR OG1 : rot -30:sc= -2.43 USER MOD Single : A 88 LYS NZ :NH3+ 169:sc=-0.00243 (180deg=-0.13) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= 1.11 (180deg=-1.03) USER MOD Single : A 94 ASN : amide:sc= -0.819 K(o=-0.82,f=-1.9) USER MOD Single : A 96 TYR OH : rot 36:sc= -2.62! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -142:sc= 0.929 USER MOD Single : A 119 GLN : amide:sc= -0.996 K(o=-1,f=-8.7!) USER MOD Single : A 121 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.342 -8.640 -1.465 1.00 0.35 N ATOM 147 CA ILE A 7 11.248 -7.745 -1.801 1.00 0.28 C ATOM 148 C ILE A 7 10.400 -7.433 -0.577 1.00 0.24 C ATOM 149 O ILE A 7 10.198 -8.284 0.290 1.00 0.31 O ATOM 150 CB ILE A 7 10.350 -8.346 -2.898 1.00 0.29 C ATOM 151 CG1 ILE A 7 11.173 -8.645 -4.149 1.00 0.36 C ATOM 152 CG2 ILE A 7 9.205 -7.402 -3.229 1.00 0.27 C ATOM 153 CD1 ILE A 7 10.357 -9.225 -5.283 1.00 0.43 C ATOM 0 HA ILE A 7 11.694 -6.823 -2.173 1.00 0.28 H new ATOM 0 HB ILE A 7 9.927 -9.280 -2.526 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.651 -7.726 -4.488 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.970 -9.342 -3.892 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.582 -7.844 -4.006 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.604 -7.231 -2.336 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.607 -6.453 -3.583 1.00 0.27 H new ATOM 0 HD11 ILE A 7 11.005 -9.413 -6.139 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.901 -10.161 -4.961 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.576 -8.520 -5.567 1.00 0.43 H new ATOM 165 N ASP A 8 9.906 -6.207 -0.519 1.00 0.19 N ATOM 166 CA ASP A 8 9.076 -5.767 0.591 1.00 0.16 C ATOM 167 C ASP A 8 7.787 -5.146 0.074 1.00 0.14 C ATOM 168 O ASP A 8 7.789 -4.038 -0.463 1.00 0.14 O ATOM 169 CB ASP A 8 9.834 -4.757 1.449 1.00 0.19 C ATOM 170 CG ASP A 8 9.044 -4.328 2.670 1.00 1.13 C ATOM 171 OD1 ASP A 8 9.172 -4.988 3.723 1.00 1.06 O ATOM 172 OD2 ASP A 8 8.298 -3.331 2.575 1.00 2.04 O ATOM 0 H ASP A 8 10.066 -5.495 -1.232 1.00 0.19 H new ATOM 0 HA ASP A 8 8.827 -6.634 1.203 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.781 -5.193 1.767 1.00 0.19 H new ATOM 0 HB3 ASP A 8 10.073 -3.880 0.847 1.00 0.19 H new ATOM 177 N TYR A 9 6.686 -5.867 0.240 1.00 0.12 N ATOM 178 CA TYR A 9 5.385 -5.396 -0.213 1.00 0.12 C ATOM 179 C TYR A 9 5.124 -3.986 0.292 1.00 0.11 C ATOM 180 O TYR A 9 4.562 -3.154 -0.419 1.00 0.12 O ATOM 181 CB TYR A 9 4.288 -6.345 0.263 1.00 0.14 C ATOM 182 CG TYR A 9 4.583 -7.792 -0.046 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.124 -8.162 -1.268 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.314 -8.787 0.883 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.392 -9.485 -1.557 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.579 -10.113 0.604 1.00 0.27 C ATOM 187 CZ TYR A 9 5.137 -10.455 -0.612 1.00 0.23 C ATOM 188 OH TYR A 9 5.383 -11.778 -0.904 1.00 0.27 O ATOM 0 H TYR A 9 6.669 -6.784 0.687 1.00 0.12 H new ATOM 0 HA TYR A 9 5.381 -5.376 -1.303 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.157 -6.229 1.339 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.345 -6.065 -0.205 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.339 -7.403 -2.006 1.00 0.15 H new ATOM 0 HD2 TYR A 9 3.890 -8.520 1.840 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.800 -9.758 -2.519 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.351 -10.878 1.332 1.00 0.27 H new ATOM 0 HH TYR A 9 4.552 -12.210 -1.192 1.00 0.27 H new ATOM 198 N GLY A 10 5.550 -3.714 1.519 1.00 0.10 N ATOM 199 CA GLY A 10 5.354 -2.398 2.078 1.00 0.11 C ATOM 200 C GLY A 10 6.028 -1.348 1.229 1.00 0.10 C ATOM 201 O GLY A 10 5.379 -0.435 0.726 1.00 0.12 O ATOM 0 H GLY A 10 6.024 -4.379 2.131 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.288 -2.184 2.150 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.755 -2.365 3.091 1.00 0.11 H new ATOM 205 N LEU A 11 7.329 -1.502 1.039 1.00 0.10 N ATOM 206 CA LEU A 11 8.092 -0.569 0.230 1.00 0.11 C ATOM 207 C LEU A 11 7.512 -0.508 -1.169 1.00 0.11 C ATOM 208 O LEU A 11 7.374 0.566 -1.756 1.00 0.16 O ATOM 209 CB LEU A 11 9.550 -1.003 0.166 1.00 0.13 C ATOM 210 CG LEU A 11 10.478 -0.033 -0.557 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.478 1.319 0.140 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.881 -0.609 -0.626 1.00 0.23 C ATOM 0 H LEU A 11 7.878 -2.265 1.435 1.00 0.10 H new ATOM 0 HA LEU A 11 8.037 0.420 0.684 1.00 0.11 H new ATOM 0 HB2 LEU A 11 9.917 -1.144 1.183 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.604 -1.972 -0.330 1.00 0.13 H new ATOM 0 HG LEU A 11 10.116 0.112 -1.575 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.145 2.000 -0.388 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.468 1.728 0.141 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.821 1.199 1.168 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.537 0.091 -1.144 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.255 -0.777 0.384 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.860 -1.555 -1.167 1.00 0.23 H new ATOM 224 N TYR A 12 7.176 -1.676 -1.696 1.00 0.09 N ATOM 225 CA TYR A 12 6.598 -1.775 -3.022 1.00 0.09 C ATOM 226 C TYR A 12 5.321 -0.958 -3.087 1.00 0.09 C ATOM 227 O TYR A 12 5.120 -0.166 -4.008 1.00 0.12 O ATOM 228 CB TYR A 12 6.307 -3.233 -3.363 1.00 0.09 C ATOM 229 CG TYR A 12 5.770 -3.429 -4.759 1.00 0.10 C ATOM 230 CD1 TYR A 12 6.145 -2.580 -5.789 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.892 -4.465 -5.045 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.660 -2.758 -7.069 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.401 -4.651 -6.322 1.00 0.12 C ATOM 234 CZ TYR A 12 4.774 -3.785 -7.327 1.00 0.15 C ATOM 235 OH TYR A 12 4.301 -3.977 -8.605 1.00 0.18 O ATOM 0 H TYR A 12 7.296 -2.571 -1.221 1.00 0.09 H new ATOM 0 HA TYR A 12 7.309 -1.383 -3.749 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.222 -3.814 -3.249 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.587 -3.629 -2.646 1.00 0.09 H new ATOM 0 HD1 TYR A 12 6.827 -1.767 -5.587 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.588 -5.137 -4.256 1.00 0.10 H new ATOM 0 HE1 TYR A 12 5.972 -2.097 -7.864 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.729 -5.470 -6.532 1.00 0.12 H new ATOM 0 HH TYR A 12 4.489 -3.182 -9.146 1.00 0.18 H new ATOM 245 N ALA A 13 4.459 -1.160 -2.099 1.00 0.10 N ATOM 246 CA ALA A 13 3.209 -0.428 -2.025 1.00 0.12 C ATOM 247 C ALA A 13 3.491 1.064 -2.017 1.00 0.12 C ATOM 248 O ALA A 13 2.770 1.849 -2.629 1.00 0.13 O ATOM 249 CB ALA A 13 2.432 -0.833 -0.785 1.00 0.13 C ATOM 0 H ALA A 13 4.606 -1.825 -1.340 1.00 0.10 H new ATOM 0 HA ALA A 13 2.602 -0.667 -2.898 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.496 -0.275 -0.743 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.216 -1.901 -0.823 1.00 0.13 H new ATOM 0 HB3 ALA A 13 3.025 -0.614 0.103 1.00 0.13 H new ATOM 255 N LEU A 14 4.556 1.445 -1.318 1.00 0.11 N ATOM 256 CA LEU A 14 4.952 2.840 -1.247 1.00 0.11 C ATOM 257 C LEU A 14 5.299 3.325 -2.642 1.00 0.12 C ATOM 258 O LEU A 14 4.901 4.411 -3.058 1.00 0.14 O ATOM 259 CB LEU A 14 6.160 3.007 -0.324 1.00 0.12 C ATOM 260 CG LEU A 14 6.146 4.252 0.566 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.549 4.572 1.056 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.555 5.447 -0.168 1.00 0.10 C ATOM 0 H LEU A 14 5.156 0.807 -0.796 1.00 0.11 H new ATOM 0 HA LEU A 14 4.128 3.428 -0.844 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.231 2.127 0.315 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.062 3.030 -0.936 1.00 0.12 H new ATOM 0 HG LEU A 14 5.514 4.040 1.428 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.520 5.460 1.687 1.00 0.11 H new ATOM 0 HD12 LEU A 14 7.934 3.730 1.631 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.200 4.756 0.201 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.558 6.316 0.490 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.152 5.661 -1.055 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.531 5.221 -0.465 1.00 0.10 H new ATOM 274 N GLU A 15 6.057 2.502 -3.353 1.00 0.11 N ATOM 275 CA GLU A 15 6.454 2.804 -4.718 1.00 0.13 C ATOM 276 C GLU A 15 5.224 2.976 -5.590 1.00 0.13 C ATOM 277 O GLU A 15 5.073 3.972 -6.290 1.00 0.15 O ATOM 278 CB GLU A 15 7.308 1.669 -5.272 1.00 0.14 C ATOM 279 CG GLU A 15 8.604 1.456 -4.521 1.00 0.16 C ATOM 280 CD GLU A 15 9.243 0.118 -4.841 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.606 -0.100 -6.017 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.382 -0.710 -3.918 1.00 0.35 O ATOM 0 H GLU A 15 6.411 1.612 -3.002 1.00 0.11 H new ATOM 0 HA GLU A 15 7.031 3.729 -4.719 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.729 0.746 -5.247 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.535 1.875 -6.318 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.300 2.257 -4.769 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.415 1.518 -3.449 1.00 0.16 H new ATOM 289 N ILE A 16 4.346 1.986 -5.531 1.00 0.11 N ATOM 290 CA ILE A 16 3.117 1.998 -6.304 1.00 0.12 C ATOM 291 C ILE A 16 2.299 3.237 -5.990 1.00 0.11 C ATOM 292 O ILE A 16 1.790 3.908 -6.887 1.00 0.14 O ATOM 293 CB ILE A 16 2.280 0.749 -5.998 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.088 -0.509 -6.306 1.00 0.13 C ATOM 295 CG2 ILE A 16 0.981 0.767 -6.786 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.517 -1.759 -5.684 1.00 0.25 C ATOM 0 H ILE A 16 4.466 1.157 -4.949 1.00 0.11 H new ATOM 0 HA ILE A 16 3.385 2.005 -7.361 1.00 0.12 H new ATOM 0 HB ILE A 16 2.027 0.747 -4.938 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.140 -0.642 -7.387 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.110 -0.371 -5.952 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.403 -0.127 -6.554 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.404 1.652 -6.517 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.203 0.789 -7.853 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.142 -2.613 -5.945 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.490 -1.646 -4.600 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.506 -1.922 -6.057 1.00 0.25 H new ATOM 308 N LEU A 17 2.178 3.532 -4.704 1.00 0.10 N ATOM 309 CA LEU A 17 1.429 4.692 -4.261 1.00 0.10 C ATOM 310 C LEU A 17 2.169 5.958 -4.642 1.00 0.11 C ATOM 311 O LEU A 17 1.568 6.942 -5.071 1.00 0.16 O ATOM 312 CB LEU A 17 1.214 4.632 -2.754 1.00 0.10 C ATOM 313 CG LEU A 17 0.391 3.438 -2.280 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.593 3.208 -0.794 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.078 3.656 -2.600 1.00 0.12 C ATOM 0 H LEU A 17 2.590 2.982 -3.951 1.00 0.10 H new ATOM 0 HA LEU A 17 0.454 4.696 -4.749 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.186 4.606 -2.262 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.719 5.549 -2.433 1.00 0.10 H new ATOM 0 HG LEU A 17 0.730 2.546 -2.807 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.002 2.352 -0.474 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.647 3.012 -0.596 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.279 4.094 -0.243 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.656 2.798 -2.257 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.431 4.556 -2.096 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.203 3.771 -3.677 1.00 0.12 H new ATOM 327 N ALA A 18 3.486 5.920 -4.493 1.00 0.08 N ATOM 328 CA ALA A 18 4.312 7.059 -4.838 1.00 0.10 C ATOM 329 C ALA A 18 4.232 7.307 -6.332 1.00 0.12 C ATOM 330 O ALA A 18 4.145 8.443 -6.787 1.00 0.14 O ATOM 331 CB ALA A 18 5.753 6.828 -4.409 1.00 0.11 C ATOM 0 H ALA A 18 4.000 5.114 -4.137 1.00 0.08 H new ATOM 0 HA ALA A 18 3.944 7.939 -4.310 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.356 7.695 -4.678 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.792 6.679 -3.330 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.145 5.944 -4.912 1.00 0.11 H new ATOM 337 N GLN A 19 4.256 6.222 -7.089 1.00 0.14 N ATOM 338 CA GLN A 19 4.167 6.301 -8.535 1.00 0.16 C ATOM 339 C GLN A 19 2.734 6.588 -8.945 1.00 0.16 C ATOM 340 O GLN A 19 2.480 7.217 -9.973 1.00 0.18 O ATOM 341 CB GLN A 19 4.647 5.001 -9.170 1.00 0.20 C ATOM 342 CG GLN A 19 6.136 4.764 -9.000 1.00 0.23 C ATOM 343 CD GLN A 19 6.658 3.640 -9.875 1.00 0.32 C ATOM 344 OE1 GLN A 19 7.026 3.857 -11.029 1.00 0.80 O ATOM 345 NE2 GLN A 19 6.703 2.430 -9.326 1.00 0.40 N ATOM 0 H GLN A 19 4.337 5.273 -6.723 1.00 0.14 H new ATOM 0 HA GLN A 19 4.807 7.111 -8.885 1.00 0.16 H new ATOM 0 HB2 GLN A 19 4.101 4.167 -8.730 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.407 5.014 -10.233 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.674 5.682 -9.236 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.345 4.532 -7.956 1.00 0.23 H new ATOM 0 HE21 GLN A 19 6.388 2.294 -8.366 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.053 1.638 -9.865 1.00 0.40 H new ATOM 354 N TYR A 20 1.798 6.120 -8.128 1.00 0.16 N ATOM 355 CA TYR A 20 0.387 6.340 -8.385 1.00 0.17 C ATOM 356 C TYR A 20 0.092 7.828 -8.317 1.00 0.16 C ATOM 357 O TYR A 20 -0.778 8.341 -9.021 1.00 0.17 O ATOM 358 CB TYR A 20 -0.460 5.593 -7.360 1.00 0.19 C ATOM 359 CG TYR A 20 -1.940 5.806 -7.539 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.659 5.050 -8.453 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.619 6.758 -6.793 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.015 5.236 -8.621 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.976 6.952 -6.953 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.668 6.208 -7.869 1.00 0.30 C ATOM 365 OH TYR A 20 -6.024 6.378 -8.030 1.00 0.36 O ATOM 0 H TYR A 20 1.995 5.586 -7.282 1.00 0.16 H new ATOM 0 HA TYR A 20 0.140 5.964 -9.378 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.243 4.527 -7.428 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.173 5.914 -6.359 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.148 4.303 -9.043 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -2.077 7.357 -6.076 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.565 4.633 -9.329 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.491 7.690 -6.356 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.356 7.011 -7.360 1.00 0.36 H new ATOM 375 N HIS A 21 0.831 8.509 -7.453 1.00 0.14 N ATOM 376 CA HIS A 21 0.687 9.942 -7.277 1.00 0.15 C ATOM 377 C HIS A 21 1.694 10.707 -8.132 1.00 0.16 C ATOM 378 O HIS A 21 1.673 11.937 -8.168 1.00 0.20 O ATOM 379 CB HIS A 21 0.877 10.305 -5.807 1.00 0.18 C ATOM 380 CG HIS A 21 -0.328 10.030 -4.965 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.348 10.943 -4.856 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.631 8.936 -4.225 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.243 10.390 -4.059 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.853 9.174 -3.649 1.00 0.23 N ATOM 0 H HIS A 21 1.543 8.084 -6.859 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.316 10.224 -7.597 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.724 9.746 -5.409 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.130 11.363 -5.732 1.00 0.18 H new ATOM 0 HD2 HIS A 21 -0.027 8.048 -4.111 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.173 10.858 -3.773 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.366 8.547 -3.029 1.00 0.23 H new ATOM 392 N ASN A 22 2.580 9.977 -8.814 1.00 0.15 N ATOM 393 CA ASN A 22 3.590 10.594 -9.664 1.00 0.18 C ATOM 394 C ASN A 22 4.658 11.260 -8.812 1.00 0.19 C ATOM 395 O ASN A 22 5.283 12.236 -9.223 1.00 0.21 O ATOM 396 CB ASN A 22 2.957 11.619 -10.605 1.00 0.20 C ATOM 397 CG ASN A 22 1.769 11.062 -11.366 1.00 0.87 C ATOM 398 OD1 ASN A 22 1.831 9.779 -11.708 1.00 1.35 O flip ATOM 399 ND2 ASN A 22 0.808 11.777 -11.648 1.00 1.28 N flip ATOM 0 H ASN A 22 2.615 8.958 -8.791 1.00 0.15 H new ATOM 0 HA ASN A 22 4.052 9.812 -10.267 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.639 12.487 -10.028 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.708 11.966 -11.315 1.00 0.20 H new ATOM 0 HD21 ASN A 22 0.801 12.757 -11.366 1.00 1.28 H new ATOM 0 HD22 ASN A 22 0.018 11.389 -12.164 1.00 1.28 H new ATOM 406 N VAL A 23 4.857 10.718 -7.616 1.00 0.19 N ATOM 407 CA VAL A 23 5.845 11.244 -6.693 1.00 0.22 C ATOM 408 C VAL A 23 7.054 10.321 -6.620 1.00 0.25 C ATOM 409 O VAL A 23 6.919 9.100 -6.554 1.00 0.35 O ATOM 410 CB VAL A 23 5.247 11.431 -5.286 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.628 10.142 -4.790 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.300 11.926 -4.313 1.00 0.26 C ATOM 0 H VAL A 23 4.342 9.910 -7.265 1.00 0.19 H new ATOM 0 HA VAL A 23 6.161 12.218 -7.067 1.00 0.22 H new ATOM 0 HB VAL A 23 4.462 12.185 -5.351 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.212 10.298 -3.795 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.835 9.834 -5.471 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.391 9.365 -4.747 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.854 12.050 -3.326 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.112 11.201 -4.255 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.692 12.883 -4.657 1.00 0.26 H new ATOM 422 N SER A 24 8.236 10.921 -6.631 1.00 0.22 N ATOM 423 CA SER A 24 9.482 10.169 -6.582 1.00 0.25 C ATOM 424 C SER A 24 9.488 9.168 -5.434 1.00 0.27 C ATOM 425 O SER A 24 8.773 9.326 -4.447 1.00 0.49 O ATOM 426 CB SER A 24 10.667 11.121 -6.438 1.00 0.35 C ATOM 427 OG SER A 24 10.774 11.979 -7.561 1.00 0.82 O ATOM 0 H SER A 24 8.358 11.933 -6.674 1.00 0.22 H new ATOM 0 HA SER A 24 9.569 9.615 -7.517 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.551 11.716 -5.532 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.587 10.547 -6.327 1.00 0.35 H new ATOM 0 HG SER A 24 11.540 12.579 -7.442 1.00 0.82 H new ATOM 433 N VAL A 25 10.309 8.138 -5.585 1.00 0.20 N ATOM 434 CA VAL A 25 10.445 7.099 -4.577 1.00 0.17 C ATOM 435 C VAL A 25 11.642 6.214 -4.885 1.00 0.18 C ATOM 436 O VAL A 25 11.667 5.518 -5.900 1.00 0.25 O ATOM 437 CB VAL A 25 9.183 6.222 -4.476 1.00 0.13 C ATOM 438 CG1 VAL A 25 8.860 5.588 -5.819 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.360 5.150 -3.410 1.00 0.15 C ATOM 0 H VAL A 25 10.897 8.000 -6.407 1.00 0.20 H new ATOM 0 HA VAL A 25 10.590 7.602 -3.621 1.00 0.17 H new ATOM 0 HB VAL A 25 8.347 6.860 -4.188 1.00 0.13 H new ATOM 0 HG11 VAL A 25 7.965 4.973 -5.725 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.687 6.370 -6.558 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.696 4.966 -6.138 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.458 4.541 -3.354 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.210 4.518 -3.667 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.539 5.623 -2.445 1.00 0.15 H new ATOM 449 N ASN A 26 12.641 6.260 -4.015 1.00 0.15 N ATOM 450 CA ASN A 26 13.834 5.454 -4.191 1.00 0.15 C ATOM 451 C ASN A 26 13.888 4.361 -3.136 1.00 0.16 C ATOM 452 O ASN A 26 14.487 4.534 -2.076 1.00 0.17 O ATOM 453 CB ASN A 26 15.083 6.326 -4.114 1.00 0.16 C ATOM 454 CG ASN A 26 16.351 5.533 -4.336 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.327 4.443 -4.907 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.470 6.089 -3.897 1.00 0.20 N ATOM 0 H ASN A 26 12.646 6.848 -3.181 1.00 0.15 H new ATOM 0 HA ASN A 26 13.798 4.989 -5.176 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.017 7.118 -4.860 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.126 6.810 -3.138 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.362 5.611 -4.027 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.440 6.995 -3.429 1.00 0.20 H new ATOM 463 N PRO A 27 13.258 3.212 -3.425 1.00 0.17 N ATOM 464 CA PRO A 27 13.218 2.074 -2.508 1.00 0.19 C ATOM 465 C PRO A 27 14.556 1.843 -1.833 1.00 0.20 C ATOM 466 O PRO A 27 14.622 1.466 -0.663 1.00 0.25 O ATOM 467 CB PRO A 27 12.873 0.918 -3.438 1.00 0.23 C ATOM 468 CG PRO A 27 12.000 1.542 -4.466 1.00 0.30 C ATOM 469 CD PRO A 27 12.548 2.922 -4.685 1.00 0.19 C ATOM 0 HA PRO A 27 12.512 2.211 -1.689 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.767 0.482 -3.883 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.358 0.117 -2.908 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.011 0.965 -5.391 1.00 0.30 H new ATOM 0 HG3 PRO A 27 10.965 1.582 -4.128 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.221 2.956 -5.542 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.754 3.644 -4.874 1.00 0.19 H new ATOM 477 N GLU A 28 15.621 2.082 -2.581 1.00 0.18 N ATOM 478 CA GLU A 28 16.967 1.914 -2.061 1.00 0.19 C ATOM 479 C GLU A 28 17.204 2.899 -0.931 1.00 0.19 C ATOM 480 O GLU A 28 17.727 2.545 0.125 1.00 0.21 O ATOM 481 CB GLU A 28 17.994 2.143 -3.169 1.00 0.21 C ATOM 482 CG GLU A 28 17.754 1.303 -4.409 1.00 0.23 C ATOM 483 CD GLU A 28 18.759 1.592 -5.507 1.00 0.72 C ATOM 484 OE1 GLU A 28 19.831 0.952 -5.515 1.00 0.70 O ATOM 485 OE2 GLU A 28 18.473 2.458 -6.362 1.00 1.24 O ATOM 0 H GLU A 28 15.579 2.393 -3.551 1.00 0.18 H new ATOM 0 HA GLU A 28 17.076 0.897 -1.685 1.00 0.19 H new ATOM 0 HB2 GLU A 28 17.985 3.197 -3.448 1.00 0.21 H new ATOM 0 HB3 GLU A 28 18.989 1.925 -2.780 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.803 0.247 -4.144 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.748 1.491 -4.783 1.00 0.23 H new ATOM 492 N GLU A 29 16.813 4.142 -1.172 1.00 0.18 N ATOM 493 CA GLU A 29 16.961 5.196 -0.186 1.00 0.18 C ATOM 494 C GLU A 29 15.926 5.032 0.912 1.00 0.16 C ATOM 495 O GLU A 29 16.208 5.263 2.087 1.00 0.20 O ATOM 496 CB GLU A 29 16.814 6.563 -0.847 1.00 0.20 C ATOM 497 CG GLU A 29 16.889 7.719 0.125 1.00 0.22 C ATOM 498 CD GLU A 29 16.765 9.067 -0.558 1.00 1.02 C ATOM 499 OE1 GLU A 29 17.798 9.595 -1.023 1.00 0.95 O ATOM 500 OE2 GLU A 29 15.636 9.594 -0.630 1.00 1.85 O ATOM 0 H GLU A 29 16.388 4.444 -2.049 1.00 0.18 H new ATOM 0 HA GLU A 29 17.956 5.126 0.254 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.596 6.680 -1.598 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.859 6.602 -1.372 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.096 7.617 0.866 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.836 7.675 0.663 1.00 0.22 H new ATOM 507 N ILE A 30 14.723 4.627 0.519 1.00 0.14 N ATOM 508 CA ILE A 30 13.652 4.420 1.477 1.00 0.14 C ATOM 509 C ILE A 30 14.093 3.410 2.519 1.00 0.14 C ATOM 510 O ILE A 30 14.013 3.656 3.718 1.00 0.21 O ATOM 511 CB ILE A 30 12.367 3.914 0.795 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.892 4.916 -0.255 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.280 3.667 1.830 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.582 6.281 0.315 1.00 0.28 C ATOM 0 H ILE A 30 14.470 4.438 -0.451 1.00 0.14 H new ATOM 0 HA ILE A 30 13.433 5.380 1.945 1.00 0.14 H new ATOM 0 HB ILE A 30 12.587 2.971 0.295 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.659 5.017 -1.023 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.000 4.524 -0.744 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.378 3.310 1.333 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.621 2.918 2.544 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.060 4.596 2.356 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.250 6.943 -0.485 1.00 0.28 H new ATOM 0 HD12 ILE A 30 10.794 6.193 1.063 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.478 6.694 0.779 1.00 0.28 H new ATOM 526 N LYS A 31 14.571 2.271 2.053 1.00 0.15 N ATOM 527 CA LYS A 31 15.039 1.238 2.952 1.00 0.20 C ATOM 528 C LYS A 31 16.243 1.732 3.735 1.00 0.21 C ATOM 529 O LYS A 31 16.472 1.336 4.876 1.00 0.26 O ATOM 530 CB LYS A 31 15.406 -0.020 2.178 1.00 0.26 C ATOM 531 CG LYS A 31 14.223 -0.667 1.491 1.00 0.80 C ATOM 532 CD LYS A 31 14.312 -2.183 1.544 1.00 0.82 C ATOM 533 CE LYS A 31 15.611 -2.683 0.936 1.00 0.65 C ATOM 534 NZ LYS A 31 15.720 -4.168 0.999 1.00 1.35 N ATOM 0 H LYS A 31 14.644 2.040 1.062 1.00 0.15 H new ATOM 0 HA LYS A 31 14.235 0.997 3.647 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.160 0.228 1.431 1.00 0.26 H new ATOM 0 HB3 LYS A 31 15.859 -0.739 2.861 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.299 -0.338 1.967 1.00 0.80 H new ATOM 0 HG3 LYS A 31 14.180 -0.340 0.452 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.240 -2.517 2.579 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.467 -2.618 1.010 1.00 0.82 H new ATOM 0 HE2 LYS A 31 15.674 -2.358 -0.103 1.00 0.65 H new ATOM 0 HE3 LYS A 31 16.454 -2.235 1.462 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.620 -4.468 0.574 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 15.686 -4.477 1.991 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 14.930 -4.597 0.476 1.00 1.35 H new ATOM 548 N HIS A 32 17.004 2.604 3.099 1.00 0.19 N ATOM 549 CA HIS A 32 18.195 3.174 3.700 1.00 0.23 C ATOM 550 C HIS A 32 17.827 4.127 4.828 1.00 0.23 C ATOM 551 O HIS A 32 18.590 4.316 5.776 1.00 0.29 O ATOM 552 CB HIS A 32 18.982 3.928 2.633 1.00 0.25 C ATOM 553 CG HIS A 32 20.401 4.205 3.008 1.00 0.32 C ATOM 554 ND1 HIS A 32 20.825 5.416 3.510 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.500 3.419 2.944 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.125 5.365 3.739 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.558 4.165 3.404 1.00 0.44 N ATOM 0 H HIS A 32 16.814 2.936 2.153 1.00 0.19 H new ATOM 0 HA HIS A 32 18.801 2.368 4.113 1.00 0.23 H new ATOM 0 HB2 HIS A 32 18.967 3.350 1.709 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.480 4.873 2.426 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.539 2.397 2.597 1.00 0.38 H new ATOM 0 HE1 HIS A 32 22.730 6.168 4.133 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.523 3.843 3.475 1.00 0.44 H new ATOM 566 N ARG A 33 16.653 4.730 4.709 1.00 0.19 N ATOM 567 CA ARG A 33 16.176 5.692 5.690 1.00 0.21 C ATOM 568 C ARG A 33 15.168 5.095 6.661 1.00 0.21 C ATOM 569 O ARG A 33 15.128 5.469 7.833 1.00 0.27 O ATOM 570 CB ARG A 33 15.517 6.858 4.968 1.00 0.24 C ATOM 571 CG ARG A 33 16.461 7.629 4.071 1.00 0.29 C ATOM 572 CD ARG A 33 15.732 8.721 3.308 1.00 0.36 C ATOM 573 NE ARG A 33 14.938 9.572 4.189 1.00 0.47 N ATOM 574 CZ ARG A 33 15.441 10.587 4.885 1.00 0.64 C ATOM 575 NH1 ARG A 33 16.731 10.880 4.802 1.00 1.13 N ATOM 576 NH2 ARG A 33 14.650 11.311 5.666 1.00 0.71 N ATOM 0 H ARG A 33 16.009 4.567 3.935 1.00 0.19 H new ATOM 0 HA ARG A 33 17.042 6.016 6.267 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.687 6.481 4.370 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.094 7.539 5.706 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.256 8.071 4.671 1.00 0.29 H new ATOM 0 HG3 ARG A 33 16.936 6.946 3.367 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.457 9.333 2.771 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.081 8.267 2.560 1.00 0.36 H new ATOM 0 HE ARG A 33 13.941 9.377 4.276 1.00 0.47 H new ATOM 0 HH11 ARG A 33 17.342 10.326 4.202 1.00 1.13 H new ATOM 0 HH12 ARG A 33 17.112 11.660 5.338 1.00 1.13 H new ATOM 0 HH21 ARG A 33 13.657 11.089 5.732 1.00 0.71 H new ATOM 0 HH22 ARG A 33 15.035 12.090 6.200 1.00 0.71 H new ATOM 590 N PHE A 34 14.353 4.169 6.176 1.00 0.17 N ATOM 591 CA PHE A 34 13.305 3.589 7.003 1.00 0.21 C ATOM 592 C PHE A 34 13.476 2.089 7.227 1.00 0.22 C ATOM 593 O PHE A 34 13.113 1.577 8.286 1.00 0.31 O ATOM 594 CB PHE A 34 11.960 3.906 6.361 1.00 0.23 C ATOM 595 CG PHE A 34 11.811 5.373 6.077 1.00 0.21 C ATOM 596 CD1 PHE A 34 12.222 5.903 4.867 1.00 0.21 C ATOM 597 CD2 PHE A 34 11.230 6.216 7.011 1.00 0.29 C ATOM 598 CE1 PHE A 34 12.061 7.248 4.596 1.00 0.24 C ATOM 599 CE2 PHE A 34 11.062 7.559 6.745 1.00 0.29 C ATOM 600 CZ PHE A 34 11.592 8.095 5.568 1.00 0.23 C ATOM 0 H PHE A 34 14.396 3.806 5.224 1.00 0.17 H new ATOM 0 HA PHE A 34 13.365 4.033 7.997 1.00 0.21 H new ATOM 0 HB2 PHE A 34 11.859 3.344 5.433 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.156 3.580 7.021 1.00 0.23 H new ATOM 0 HD1 PHE A 34 12.673 5.259 4.127 1.00 0.21 H new ATOM 0 HD2 PHE A 34 10.904 5.816 7.960 1.00 0.29 H new ATOM 0 HE1 PHE A 34 12.305 7.633 3.617 1.00 0.24 H new ATOM 0 HE2 PHE A 34 10.526 8.190 7.439 1.00 0.29 H new ATOM 0 HZ PHE A 34 11.632 9.165 5.425 1.00 0.23 H new ATOM 610 N ASP A 35 14.022 1.381 6.247 1.00 0.19 N ATOM 611 CA ASP A 35 14.231 -0.056 6.398 1.00 0.22 C ATOM 612 C ASP A 35 15.670 -0.333 6.794 1.00 0.29 C ATOM 613 O ASP A 35 16.251 -1.349 6.414 1.00 0.34 O ATOM 614 CB ASP A 35 13.894 -0.805 5.112 1.00 0.23 C ATOM 615 CG ASP A 35 13.647 -2.281 5.344 1.00 0.28 C ATOM 616 OD1 ASP A 35 14.409 -2.893 6.119 1.00 1.10 O ATOM 617 OD2 ASP A 35 12.691 -2.825 4.752 1.00 0.94 O ATOM 0 H ASP A 35 14.324 1.768 5.353 1.00 0.19 H new ATOM 0 HA ASP A 35 13.563 -0.412 7.182 1.00 0.22 H new ATOM 0 HB2 ASP A 35 13.009 -0.359 4.658 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.712 -0.685 4.401 1.00 0.23 H new ATOM 622 N THR A 36 16.240 0.591 7.553 1.00 0.31 N ATOM 623 CA THR A 36 17.613 0.462 8.016 1.00 0.39 C ATOM 624 C THR A 36 17.844 -0.899 8.660 1.00 0.46 C ATOM 625 O THR A 36 18.967 -1.398 8.696 1.00 0.54 O ATOM 626 CB THR A 36 17.964 1.567 9.023 1.00 0.43 C ATOM 627 OG1 THR A 36 17.138 1.454 10.188 1.00 0.47 O ATOM 628 CG2 THR A 36 17.778 2.938 8.395 1.00 0.39 C ATOM 0 H THR A 36 15.770 1.442 7.862 1.00 0.31 H new ATOM 0 HA THR A 36 18.260 0.560 7.144 1.00 0.39 H new ATOM 0 HB THR A 36 19.009 1.450 9.311 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.371 2.162 10.824 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.031 3.709 9.123 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.429 3.031 7.526 1.00 0.39 H new ATOM 0 HG23 THR A 36 16.740 3.058 8.085 1.00 0.39 H new ATOM 636 N ASP A 37 16.769 -1.492 9.166 1.00 0.45 N ATOM 637 CA ASP A 37 16.846 -2.798 9.798 1.00 0.51 C ATOM 638 C ASP A 37 16.940 -3.900 8.746 1.00 0.50 C ATOM 639 O ASP A 37 17.408 -5.003 9.025 1.00 0.58 O ATOM 640 CB ASP A 37 15.626 -3.025 10.691 1.00 0.51 C ATOM 641 CG ASP A 37 15.653 -2.167 11.941 1.00 1.04 C ATOM 642 OD1 ASP A 37 16.211 -2.621 12.961 1.00 0.98 O ATOM 643 OD2 ASP A 37 15.113 -1.041 11.899 1.00 1.71 O ATOM 0 H ASP A 37 15.833 -1.086 9.149 1.00 0.45 H new ATOM 0 HA ASP A 37 17.745 -2.830 10.413 1.00 0.51 H new ATOM 0 HB2 ASP A 37 14.720 -2.808 10.125 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.579 -4.076 10.977 1.00 0.51 H new ATOM 648 N GLY A 38 16.486 -3.588 7.534 1.00 0.43 N ATOM 649 CA GLY A 38 16.530 -4.552 6.453 1.00 0.46 C ATOM 650 C GLY A 38 15.528 -5.670 6.639 1.00 0.42 C ATOM 651 O GLY A 38 15.673 -6.746 6.060 1.00 0.46 O ATOM 0 H GLY A 38 16.088 -2.683 7.284 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.334 -4.045 5.509 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.533 -4.974 6.386 1.00 0.46 H new ATOM 655 N THR A 39 14.506 -5.410 7.445 1.00 0.35 N ATOM 656 CA THR A 39 13.477 -6.403 7.716 1.00 0.33 C ATOM 657 C THR A 39 12.110 -5.945 7.211 1.00 0.30 C ATOM 658 O THR A 39 11.085 -6.526 7.566 1.00 0.41 O ATOM 659 CB THR A 39 13.381 -6.703 9.222 1.00 0.35 C ATOM 660 OG1 THR A 39 12.326 -7.642 9.470 1.00 0.65 O ATOM 661 CG2 THR A 39 13.130 -5.427 10.011 1.00 0.64 C ATOM 0 H THR A 39 14.369 -4.519 7.922 1.00 0.35 H new ATOM 0 HA THR A 39 13.765 -7.310 7.184 1.00 0.33 H new ATOM 0 HB THR A 39 14.329 -7.132 9.547 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.762 -7.719 8.672 1.00 0.65 H new ATOM 0 HG21 THR A 39 13.066 -5.663 11.073 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.950 -4.728 9.843 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.194 -4.974 9.683 1.00 0.64 H new ATOM 669 N GLY A 40 12.099 -4.905 6.383 1.00 0.22 N ATOM 670 CA GLY A 40 10.849 -4.398 5.854 1.00 0.21 C ATOM 671 C GLY A 40 10.456 -3.079 6.481 1.00 0.20 C ATOM 672 O GLY A 40 10.819 -2.795 7.622 1.00 0.32 O ATOM 0 H GLY A 40 12.932 -4.406 6.070 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.937 -4.273 4.775 1.00 0.21 H new ATOM 0 HA3 GLY A 40 10.060 -5.130 6.027 1.00 0.21 H new ATOM 676 N LEU A 41 9.715 -2.270 5.736 1.00 0.12 N ATOM 677 CA LEU A 41 9.279 -0.973 6.228 1.00 0.10 C ATOM 678 C LEU A 41 8.240 -1.118 7.325 1.00 0.10 C ATOM 679 O LEU A 41 7.224 -1.792 7.150 1.00 0.14 O ATOM 680 CB LEU A 41 8.704 -0.136 5.089 1.00 0.10 C ATOM 681 CG LEU A 41 9.733 0.392 4.097 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.669 1.373 4.781 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.513 -0.757 3.488 1.00 0.14 C ATOM 0 H LEU A 41 9.404 -2.490 4.790 1.00 0.12 H new ATOM 0 HA LEU A 41 10.152 -0.470 6.643 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.975 -0.738 4.547 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.165 0.710 5.516 1.00 0.10 H new ATOM 0 HG LEU A 41 9.212 0.916 3.296 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.399 1.742 4.061 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.093 2.210 5.176 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.187 0.872 5.598 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.245 -0.366 2.781 1.00 0.14 H new ATOM 0 HD22 LEU A 41 11.028 -1.306 4.277 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.828 -1.427 2.968 1.00 0.14 H new ATOM 695 N GLY A 42 8.503 -0.485 8.459 1.00 0.09 N ATOM 696 CA GLY A 42 7.569 -0.534 9.560 1.00 0.11 C ATOM 697 C GLY A 42 6.383 0.363 9.299 1.00 0.10 C ATOM 698 O GLY A 42 6.407 1.163 8.367 1.00 0.11 O ATOM 0 H GLY A 42 9.347 0.061 8.634 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.229 -1.559 9.709 1.00 0.11 H new ATOM 0 HA3 GLY A 42 8.068 -0.227 10.479 1.00 0.11 H new ATOM 702 N LEU A 43 5.344 0.244 10.107 1.00 0.12 N ATOM 703 CA LEU A 43 4.163 1.069 9.923 1.00 0.12 C ATOM 704 C LEU A 43 4.526 2.546 10.004 1.00 0.11 C ATOM 705 O LEU A 43 4.210 3.326 9.105 1.00 0.12 O ATOM 706 CB LEU A 43 3.101 0.724 10.971 1.00 0.14 C ATOM 707 CG LEU A 43 1.775 1.483 10.841 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.868 2.838 11.523 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.388 1.649 9.378 1.00 0.14 C ATOM 0 H LEU A 43 5.293 -0.409 10.889 1.00 0.12 H new ATOM 0 HA LEU A 43 3.753 0.867 8.933 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.895 -0.345 10.916 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.515 0.918 11.960 1.00 0.14 H new ATOM 0 HG LEU A 43 0.999 0.899 11.335 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.918 3.363 11.421 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.094 2.698 12.580 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.659 3.426 11.058 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.444 2.190 9.310 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.165 2.208 8.857 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.277 0.667 8.917 1.00 0.14 H new ATOM 721 N THR A 44 5.195 2.921 11.086 1.00 0.11 N ATOM 722 CA THR A 44 5.608 4.301 11.289 1.00 0.12 C ATOM 723 C THR A 44 6.735 4.680 10.338 1.00 0.12 C ATOM 724 O THR A 44 6.804 5.812 9.862 1.00 0.16 O ATOM 725 CB THR A 44 6.070 4.545 12.738 1.00 0.15 C ATOM 726 OG1 THR A 44 5.008 4.239 13.650 1.00 0.18 O ATOM 727 CG2 THR A 44 6.508 5.989 12.930 1.00 0.18 C ATOM 0 H THR A 44 5.463 2.286 11.838 1.00 0.11 H new ATOM 0 HA THR A 44 4.737 4.924 11.086 1.00 0.12 H new ATOM 0 HB THR A 44 6.920 3.893 12.939 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.311 4.395 14.569 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.830 6.138 13.961 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.335 6.211 12.256 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.673 6.655 12.711 1.00 0.18 H new ATOM 735 N SER A 45 7.613 3.726 10.060 1.00 0.11 N ATOM 736 CA SER A 45 8.739 3.964 9.170 1.00 0.13 C ATOM 737 C SER A 45 8.250 4.096 7.736 1.00 0.13 C ATOM 738 O SER A 45 8.809 4.851 6.940 1.00 0.19 O ATOM 739 CB SER A 45 9.754 2.827 9.282 1.00 0.17 C ATOM 740 OG SER A 45 10.009 2.506 10.639 1.00 0.31 O ATOM 0 H SER A 45 7.566 2.780 10.439 1.00 0.11 H new ATOM 0 HA SER A 45 9.228 4.894 9.462 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.378 1.947 8.761 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.684 3.115 8.792 1.00 0.17 H new ATOM 0 HG SER A 45 10.660 1.775 10.685 1.00 0.31 H new ATOM 746 N TRP A 46 7.200 3.353 7.422 1.00 0.10 N ATOM 747 CA TRP A 46 6.610 3.382 6.098 1.00 0.09 C ATOM 748 C TRP A 46 5.881 4.699 5.881 1.00 0.08 C ATOM 749 O TRP A 46 6.016 5.337 4.836 1.00 0.10 O ATOM 750 CB TRP A 46 5.643 2.216 5.935 1.00 0.09 C ATOM 751 CG TRP A 46 5.137 2.068 4.540 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.506 1.119 3.636 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.175 2.898 3.884 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.830 1.306 2.459 1.00 0.12 N ATOM 755 CE2 TRP A 46 4.006 2.389 2.585 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.437 4.020 4.268 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.134 2.960 1.668 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.569 4.588 3.355 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.422 4.056 2.068 1.00 0.09 C ATOM 0 H TRP A 46 6.738 2.719 8.074 1.00 0.10 H new ATOM 0 HA TRP A 46 7.402 3.292 5.355 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.141 1.294 6.235 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.798 2.355 6.609 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.225 0.335 3.820 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.926 0.730 1.623 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.543 4.436 5.259 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 3.022 2.553 0.674 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.994 5.457 3.639 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.733 4.521 1.378 1.00 0.09 H new ATOM 770 N LEU A 47 5.106 5.100 6.882 1.00 0.08 N ATOM 771 CA LEU A 47 4.362 6.346 6.821 1.00 0.08 C ATOM 772 C LEU A 47 5.314 7.507 6.585 1.00 0.08 C ATOM 773 O LEU A 47 5.060 8.378 5.755 1.00 0.11 O ATOM 774 CB LEU A 47 3.582 6.560 8.119 1.00 0.09 C ATOM 775 CG LEU A 47 2.375 5.641 8.311 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.797 5.812 9.706 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.316 5.924 7.255 1.00 0.62 C ATOM 0 H LEU A 47 4.978 4.576 7.748 1.00 0.08 H new ATOM 0 HA LEU A 47 3.655 6.294 5.993 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.262 6.421 8.960 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.240 7.594 8.153 1.00 0.09 H new ATOM 0 HG LEU A 47 2.704 4.608 8.198 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.939 5.151 9.828 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.556 5.561 10.447 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.482 6.846 9.845 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.464 5.261 7.407 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.988 6.960 7.337 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.736 5.754 6.264 1.00 0.62 H new ATOM 789 N LEU A 48 6.416 7.505 7.321 1.00 0.08 N ATOM 790 CA LEU A 48 7.423 8.544 7.193 1.00 0.10 C ATOM 791 C LEU A 48 8.132 8.437 5.849 1.00 0.10 C ATOM 792 O LEU A 48 8.653 9.423 5.328 1.00 0.11 O ATOM 793 CB LEU A 48 8.435 8.431 8.331 1.00 0.12 C ATOM 794 CG LEU A 48 7.848 8.583 9.731 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.838 8.112 10.783 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.449 10.026 9.981 1.00 0.17 C ATOM 0 H LEU A 48 6.634 6.791 8.016 1.00 0.08 H new ATOM 0 HA LEU A 48 6.932 9.515 7.248 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.929 7.462 8.263 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.204 9.191 8.191 1.00 0.12 H new ATOM 0 HG LEU A 48 6.957 7.959 9.801 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.399 8.229 11.774 1.00 0.17 H new ATOM 0 HD12 LEU A 48 9.077 7.062 10.614 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.749 8.706 10.717 1.00 0.17 H new ATOM 0 HD21 LEU A 48 7.032 10.120 10.984 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.326 10.667 9.892 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.702 10.329 9.247 1.00 0.17 H new ATOM 808 N ALA A 49 8.144 7.228 5.294 1.00 0.10 N ATOM 809 CA ALA A 49 8.781 6.983 4.009 1.00 0.11 C ATOM 810 C ALA A 49 8.061 7.735 2.899 1.00 0.11 C ATOM 811 O ALA A 49 8.690 8.262 1.982 1.00 0.15 O ATOM 812 CB ALA A 49 8.816 5.491 3.712 1.00 0.11 C ATOM 0 H ALA A 49 7.718 6.403 5.717 1.00 0.10 H new ATOM 0 HA ALA A 49 9.806 7.350 4.057 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.295 5.323 2.748 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.379 4.978 4.491 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.798 5.102 3.684 1.00 0.11 H new ATOM 818 N ALA A 50 6.738 7.778 2.989 1.00 0.08 N ATOM 819 CA ALA A 50 5.931 8.477 2.001 1.00 0.08 C ATOM 820 C ALA A 50 6.027 9.979 2.207 1.00 0.10 C ATOM 821 O ALA A 50 6.072 10.751 1.250 1.00 0.13 O ATOM 822 CB ALA A 50 4.483 8.024 2.086 1.00 0.10 C ATOM 0 H ALA A 50 6.202 7.337 3.736 1.00 0.08 H new ATOM 0 HA ALA A 50 6.313 8.238 1.009 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.891 8.556 1.341 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.426 6.952 1.898 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.092 8.239 3.081 1.00 0.10 H new ATOM 828 N LYS A 51 6.063 10.385 3.470 1.00 0.09 N ATOM 829 CA LYS A 51 6.162 11.793 3.817 1.00 0.11 C ATOM 830 C LYS A 51 7.476 12.366 3.315 1.00 0.13 C ATOM 831 O LYS A 51 7.531 13.493 2.824 1.00 0.15 O ATOM 832 CB LYS A 51 6.056 11.975 5.329 1.00 0.14 C ATOM 833 CG LYS A 51 4.734 11.503 5.908 1.00 0.14 C ATOM 834 CD LYS A 51 4.739 11.566 7.428 1.00 0.21 C ATOM 835 CE LYS A 51 3.413 11.110 8.015 1.00 0.61 C ATOM 836 NZ LYS A 51 3.457 11.062 9.502 1.00 1.40 N ATOM 0 H LYS A 51 6.025 9.755 4.272 1.00 0.09 H new ATOM 0 HA LYS A 51 5.340 12.327 3.341 1.00 0.11 H new ATOM 0 HB2 LYS A 51 6.869 11.430 5.810 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.193 13.029 5.570 1.00 0.14 H new ATOM 0 HG2 LYS A 51 3.924 12.120 5.520 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.538 10.480 5.585 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.543 10.940 7.815 1.00 0.21 H new ATOM 0 HD3 LYS A 51 4.947 12.587 7.749 1.00 0.21 H new ATOM 0 HE2 LYS A 51 2.621 11.788 7.696 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.163 10.123 7.626 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.535 10.747 9.867 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 4.196 10.396 9.806 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 3.671 12.009 9.874 1.00 1.40 H new ATOM 850 N SER A 52 8.539 11.579 3.446 1.00 0.12 N ATOM 851 CA SER A 52 9.856 12.004 2.993 1.00 0.15 C ATOM 852 C SER A 52 9.855 12.223 1.482 1.00 0.14 C ATOM 853 O SER A 52 10.700 12.942 0.948 1.00 0.16 O ATOM 854 CB SER A 52 10.915 10.968 3.372 1.00 0.17 C ATOM 855 OG SER A 52 12.205 11.385 2.960 1.00 1.23 O ATOM 0 H SER A 52 8.513 10.647 3.861 1.00 0.12 H new ATOM 0 HA SER A 52 10.099 12.946 3.484 1.00 0.15 H new ATOM 0 HB2 SER A 52 10.907 10.812 4.451 1.00 0.17 H new ATOM 0 HB3 SER A 52 10.674 10.011 2.910 1.00 0.17 H new ATOM 0 HG SER A 52 12.865 10.707 3.215 1.00 1.23 H new ATOM 861 N LEU A 53 8.899 11.595 0.800 1.00 0.12 N ATOM 862 CA LEU A 53 8.774 11.726 -0.647 1.00 0.12 C ATOM 863 C LEU A 53 7.870 12.897 -1.015 1.00 0.12 C ATOM 864 O LEU A 53 7.420 13.003 -2.153 1.00 0.15 O ATOM 865 CB LEU A 53 8.184 10.445 -1.235 1.00 0.13 C ATOM 866 CG LEU A 53 9.029 9.192 -1.041 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.279 7.973 -1.550 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.364 9.340 -1.753 1.00 0.14 C ATOM 0 H LEU A 53 8.199 10.990 1.229 1.00 0.12 H new ATOM 0 HA LEU A 53 9.769 11.904 -1.055 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.205 10.276 -0.787 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.025 10.594 -2.303 1.00 0.13 H new ATOM 0 HG LEU A 53 9.224 9.058 0.023 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.892 7.083 -1.407 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.345 7.864 -0.998 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.061 8.097 -2.611 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.957 8.437 -1.606 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.193 9.492 -2.819 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.900 10.197 -1.346 1.00 0.14 H new ATOM 880 N GLU A 54 7.612 13.779 -0.059 1.00 0.12 N ATOM 881 CA GLU A 54 6.731 14.909 -0.302 1.00 0.13 C ATOM 882 C GLU A 54 5.316 14.411 -0.593 1.00 0.11 C ATOM 883 O GLU A 54 4.492 15.133 -1.152 1.00 0.13 O ATOM 884 CB GLU A 54 7.244 15.745 -1.474 1.00 0.17 C ATOM 885 CG GLU A 54 8.683 16.197 -1.311 1.00 0.23 C ATOM 886 CD GLU A 54 9.195 16.952 -2.521 1.00 0.63 C ATOM 887 OE1 GLU A 54 8.974 18.180 -2.593 1.00 0.59 O ATOM 888 OE2 GLU A 54 9.816 16.317 -3.400 1.00 1.14 O ATOM 0 H GLU A 54 7.998 13.734 0.884 1.00 0.12 H new ATOM 0 HA GLU A 54 6.713 15.537 0.589 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.156 15.163 -2.391 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.607 16.622 -1.591 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.763 16.833 -0.429 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.316 15.327 -1.135 1.00 0.23 H new ATOM 895 N LEU A 55 5.049 13.162 -0.206 1.00 0.11 N ATOM 896 CA LEU A 55 3.751 12.544 -0.419 1.00 0.13 C ATOM 897 C LEU A 55 2.986 12.455 0.897 1.00 0.17 C ATOM 898 O LEU A 55 3.543 12.063 1.921 1.00 0.33 O ATOM 899 CB LEU A 55 3.944 11.149 -1.015 1.00 0.20 C ATOM 900 CG LEU A 55 2.687 10.291 -1.100 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.765 10.798 -2.197 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.058 8.834 -1.339 1.00 0.72 C ATOM 0 H LEU A 55 5.726 12.559 0.261 1.00 0.11 H new ATOM 0 HA LEU A 55 3.172 13.154 -1.112 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.358 11.256 -2.018 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.686 10.618 -0.418 1.00 0.20 H new ATOM 0 HG LEU A 55 2.155 10.361 -0.151 1.00 0.38 H new ATOM 0 HD11 LEU A 55 0.874 10.172 -2.241 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.476 11.827 -1.983 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.284 10.759 -3.155 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.151 8.232 -1.398 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.611 8.748 -2.274 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.678 8.477 -0.517 1.00 0.72 H new ATOM 914 N LYS A 56 1.711 12.818 0.865 1.00 0.15 N ATOM 915 CA LYS A 56 0.886 12.786 2.065 1.00 0.16 C ATOM 916 C LYS A 56 0.393 11.376 2.356 1.00 0.16 C ATOM 917 O LYS A 56 -0.085 10.674 1.469 1.00 0.20 O ATOM 918 CB LYS A 56 -0.304 13.737 1.925 1.00 0.18 C ATOM 919 CG LYS A 56 -1.159 13.825 3.179 1.00 0.61 C ATOM 920 CD LYS A 56 -2.330 14.778 2.994 1.00 0.62 C ATOM 921 CE LYS A 56 -3.270 14.746 4.188 1.00 1.18 C ATOM 922 NZ LYS A 56 -2.595 15.181 5.441 1.00 1.86 N ATOM 0 H LYS A 56 1.227 13.137 0.025 1.00 0.15 H new ATOM 0 HA LYS A 56 1.504 13.113 2.901 1.00 0.16 H new ATOM 0 HB2 LYS A 56 0.064 14.732 1.675 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -0.926 13.408 1.093 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.533 12.834 3.435 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.545 14.160 4.015 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -1.956 15.792 2.851 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -2.879 14.511 2.091 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -4.125 15.393 3.993 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -3.658 13.736 4.317 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -3.297 15.258 6.205 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -1.871 14.483 5.706 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -2.145 16.106 5.290 1.00 1.86 H new ATOM 936 N VAL A 57 0.526 10.968 3.609 1.00 0.14 N ATOM 937 CA VAL A 57 0.088 9.649 4.040 1.00 0.14 C ATOM 938 C VAL A 57 -0.327 9.681 5.503 1.00 0.15 C ATOM 939 O VAL A 57 0.098 10.558 6.255 1.00 0.15 O ATOM 940 CB VAL A 57 1.188 8.591 3.847 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.622 8.531 2.391 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.376 8.882 4.751 1.00 0.13 C ATOM 0 H VAL A 57 0.937 11.536 4.350 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.765 9.374 3.420 1.00 0.14 H new ATOM 0 HB VAL A 57 0.781 7.618 4.122 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.401 7.777 2.274 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.767 8.270 1.767 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.010 9.503 2.087 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.143 8.123 4.600 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.785 9.863 4.510 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.053 8.869 5.792 1.00 0.13 H new ATOM 952 N LYS A 58 -1.157 8.728 5.907 1.00 0.17 N ATOM 953 CA LYS A 58 -1.621 8.679 7.286 1.00 0.20 C ATOM 954 C LYS A 58 -2.369 7.384 7.579 1.00 0.16 C ATOM 955 O LYS A 58 -3.379 7.081 6.946 1.00 0.18 O ATOM 956 CB LYS A 58 -2.530 9.873 7.570 1.00 0.26 C ATOM 957 CG LYS A 58 -3.020 9.939 9.007 1.00 0.63 C ATOM 958 CD LYS A 58 -1.876 10.187 9.977 1.00 1.21 C ATOM 959 CE LYS A 58 -1.101 11.445 9.618 1.00 1.69 C ATOM 960 NZ LYS A 58 -1.980 12.646 9.562 1.00 2.33 N ATOM 0 H LYS A 58 -1.519 7.987 5.307 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.746 8.718 7.935 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -1.992 10.792 7.336 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.391 9.830 6.903 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.759 10.734 9.104 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -3.521 9.006 9.265 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -2.270 10.278 10.989 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -1.202 9.330 9.973 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -0.313 11.607 10.353 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -0.614 11.307 8.653 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -1.394 13.502 9.483 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -2.608 12.579 8.736 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -2.553 12.698 10.428 1.00 2.33 H new ATOM 974 N GLN A 59 -1.863 6.627 8.545 1.00 0.15 N ATOM 975 CA GLN A 59 -2.487 5.376 8.937 1.00 0.13 C ATOM 976 C GLN A 59 -3.597 5.634 9.945 1.00 0.13 C ATOM 977 O GLN A 59 -3.389 6.314 10.950 1.00 0.16 O ATOM 978 CB GLN A 59 -1.451 4.427 9.536 1.00 0.16 C ATOM 979 CG GLN A 59 -2.022 3.071 9.911 1.00 0.20 C ATOM 980 CD GLN A 59 -1.994 2.798 11.405 1.00 0.44 C ATOM 981 OE1 GLN A 59 -2.187 3.838 12.211 1.00 1.13 O flip ATOM 982 NE2 GLN A 59 -1.815 1.657 11.832 1.00 0.36 N flip ATOM 0 H GLN A 59 -1.021 6.861 9.070 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.916 4.912 8.049 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.641 4.287 8.820 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -1.017 4.888 10.423 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -3.051 3.007 9.557 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.459 2.293 9.396 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -1.671 0.886 11.181 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -1.811 1.483 12.837 1.00 0.36 H new ATOM 991 N VAL A 60 -4.772 5.085 9.675 1.00 0.13 N ATOM 992 CA VAL A 60 -5.912 5.269 10.561 1.00 0.16 C ATOM 993 C VAL A 60 -6.768 4.012 10.620 1.00 0.15 C ATOM 994 O VAL A 60 -6.855 3.260 9.648 1.00 0.18 O ATOM 995 CB VAL A 60 -6.787 6.454 10.106 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.250 6.253 8.671 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.976 6.634 11.037 1.00 0.23 C ATOM 0 H VAL A 60 -4.961 4.511 8.853 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.514 5.480 11.554 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.185 7.362 10.148 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.866 7.099 8.366 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.382 6.181 8.015 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.834 5.335 8.602 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.580 7.475 10.697 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.582 5.728 11.033 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.620 6.828 12.049 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.397 3.788 11.768 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.249 2.625 11.953 1.00 0.20 C ATOM 1009 C LYS A 61 -9.632 2.893 11.382 1.00 0.21 C ATOM 1010 O LYS A 61 -10.411 3.662 11.944 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.355 2.274 13.437 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.082 0.966 13.699 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.228 0.700 15.189 1.00 0.37 C ATOM 1014 CE LYS A 61 -10.000 -0.584 15.454 1.00 1.05 C ATOM 1015 NZ LYS A 61 -11.358 -0.551 14.843 1.00 2.03 N ATOM 0 H LYS A 61 -7.331 4.398 12.583 1.00 0.19 H new ATOM 0 HA LYS A 61 -7.805 1.781 11.424 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.353 2.215 13.861 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -8.874 3.079 13.957 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.068 0.997 13.235 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -8.536 0.145 13.233 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -8.241 0.633 15.646 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -9.741 1.538 15.661 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -9.443 -1.432 15.055 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -10.089 -0.739 16.529 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -11.939 -1.312 15.248 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -11.805 0.367 15.039 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -11.279 -0.685 13.815 1.00 2.03 H new ATOM 1029 N LYS A 62 -9.929 2.251 10.262 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.211 2.428 9.601 1.00 0.22 C ATOM 1031 C LYS A 62 -11.917 1.095 9.423 1.00 0.23 C ATOM 1032 O LYS A 62 -11.307 0.033 9.547 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.006 3.090 8.238 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.044 4.265 8.280 1.00 0.30 C ATOM 1035 CD LYS A 62 -10.598 5.410 9.114 1.00 0.50 C ATOM 1036 CE LYS A 62 -11.773 6.086 8.425 1.00 0.75 C ATOM 1037 NZ LYS A 62 -12.357 7.172 9.259 1.00 1.04 N ATOM 0 H LYS A 62 -9.298 1.602 9.792 1.00 0.20 H new ATOM 0 HA LYS A 62 -11.834 3.068 10.226 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.631 2.347 7.534 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -11.969 3.431 7.859 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.090 3.940 8.694 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -9.849 4.613 7.266 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -10.914 5.033 10.087 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -9.811 6.142 9.296 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -11.446 6.498 7.470 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -12.541 5.344 8.206 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -13.155 7.607 8.753 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.693 6.775 10.160 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -11.632 7.893 9.447 1.00 1.04 H new ATOM 1051 N THR A 63 -13.211 1.155 9.140 1.00 0.17 N ATOM 1052 CA THR A 63 -13.998 -0.047 8.930 1.00 0.15 C ATOM 1053 C THR A 63 -14.199 -0.296 7.444 1.00 0.13 C ATOM 1054 O THR A 63 -14.260 0.646 6.653 1.00 0.15 O ATOM 1055 CB THR A 63 -15.371 0.041 9.621 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.173 1.047 8.993 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.211 0.364 11.100 1.00 0.24 C ATOM 0 H THR A 63 -13.736 2.025 9.051 1.00 0.17 H new ATOM 0 HA THR A 63 -13.444 -0.876 9.371 1.00 0.15 H new ATOM 0 HB THR A 63 -15.864 -0.927 9.526 1.00 0.20 H new ATOM 0 HG1 THR A 63 -17.045 1.095 9.438 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.194 0.421 11.568 1.00 0.24 H new ATOM 0 HG22 THR A 63 -14.625 -0.418 11.582 1.00 0.24 H new ATOM 0 HG23 THR A 63 -14.700 1.321 11.210 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.300 -1.561 7.066 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.484 -1.930 5.669 1.00 0.13 C ATOM 1067 C ILE A 64 -15.548 -1.067 4.993 1.00 0.17 C ATOM 1068 O ILE A 64 -15.383 -0.637 3.851 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.878 -3.411 5.538 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.807 -4.303 6.166 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -15.091 -3.781 4.081 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.029 -5.778 5.922 1.00 0.20 C ATOM 0 H ILE A 64 -14.258 -2.352 7.708 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.529 -1.763 5.170 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.816 -3.567 6.071 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.832 -4.020 5.769 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.779 -4.121 7.240 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.369 -4.833 4.010 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.887 -3.166 3.662 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -14.170 -3.611 3.524 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.231 -6.349 6.396 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -14.989 -6.076 6.344 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -14.027 -5.974 4.850 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.632 -0.814 5.710 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.730 -0.014 5.181 1.00 0.26 C ATOM 1086 C ASP A 65 -17.291 1.424 4.906 1.00 0.24 C ATOM 1087 O ASP A 65 -17.955 2.151 4.167 1.00 0.27 O ATOM 1088 CB ASP A 65 -18.909 -0.026 6.155 1.00 0.33 C ATOM 1089 CG ASP A 65 -19.462 -1.420 6.376 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -20.324 -1.850 5.581 1.00 1.99 O ATOM 1091 OD2 ASP A 65 -19.033 -2.083 7.345 1.00 2.08 O ATOM 0 H ASP A 65 -16.777 -1.151 6.662 1.00 0.21 H new ATOM 0 HA ASP A 65 -18.041 -0.457 4.235 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -18.592 0.392 7.110 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -19.700 0.619 5.772 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.174 1.831 5.500 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.658 3.181 5.307 1.00 0.20 C ATOM 1098 C ARG A 66 -14.664 3.226 4.154 1.00 0.15 C ATOM 1099 O ARG A 66 -14.485 4.262 3.517 1.00 0.14 O ATOM 1100 CB ARG A 66 -14.991 3.688 6.586 1.00 0.24 C ATOM 1101 CG ARG A 66 -15.966 3.931 7.727 1.00 0.71 C ATOM 1102 CD ARG A 66 -17.098 4.852 7.306 1.00 0.66 C ATOM 1103 NE ARG A 66 -18.001 5.152 8.413 1.00 1.54 N ATOM 1104 CZ ARG A 66 -18.949 6.082 8.358 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -19.113 6.800 7.254 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -19.734 6.294 9.405 1.00 2.72 N ATOM 0 H ARG A 66 -15.610 1.247 6.117 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.501 3.828 5.064 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -14.243 2.963 6.907 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.463 4.616 6.367 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.376 2.979 8.065 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -15.436 4.368 8.573 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -16.683 5.781 6.915 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.660 4.388 6.495 1.00 0.66 H new ATOM 0 HE ARG A 66 -17.899 4.619 9.276 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.511 6.638 6.446 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -19.841 7.513 7.213 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -19.611 5.743 10.255 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -20.461 7.008 9.361 1.00 2.72 H new ATOM 1120 N LEU A 67 -14.019 2.094 3.891 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.043 2.003 2.814 1.00 0.11 C ATOM 1122 C LEU A 67 -13.635 2.481 1.496 1.00 0.13 C ATOM 1123 O LEU A 67 -12.908 2.867 0.580 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.542 0.567 2.679 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.299 0.236 3.511 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.396 0.843 4.905 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.113 -1.268 3.601 1.00 0.15 C ATOM 0 H LEU A 67 -14.156 1.227 4.410 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.202 2.651 3.061 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.345 -0.111 2.967 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.321 0.372 1.630 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.431 0.670 3.014 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.501 0.593 5.474 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.484 1.927 4.825 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.273 0.445 5.415 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.226 -1.490 4.195 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -11.988 -1.715 4.074 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -10.991 -1.680 2.599 1.00 0.15 H new ATOM 1139 N ASN A 68 -14.956 2.445 1.400 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.638 2.893 0.199 1.00 0.19 C ATOM 1141 C ASN A 68 -15.661 4.421 0.126 1.00 0.19 C ATOM 1142 O ASN A 68 -15.983 4.995 -0.914 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.067 2.349 0.174 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.703 2.447 -1.198 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -18.634 1.545 -1.480 1.00 1.69 O flip ATOM 1146 ND2 ASN A 68 -17.366 3.324 -1.992 1.00 0.83 N flip ATOM 0 H ASN A 68 -15.574 2.110 2.139 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.094 2.514 -0.666 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.061 1.307 0.494 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.674 2.900 0.892 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -16.645 3.997 -1.732 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -17.808 3.378 -2.910 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.311 5.079 1.233 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.312 6.536 1.285 1.00 0.18 C ATOM 1155 C PHE A 69 -13.928 7.100 1.607 1.00 0.15 C ATOM 1156 O PHE A 69 -13.722 8.311 1.540 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.319 7.020 2.327 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.679 6.405 2.170 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.622 6.977 1.331 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -18.012 5.251 2.859 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.872 6.409 1.184 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.260 4.678 2.716 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.192 5.258 1.877 1.00 0.34 C ATOM 0 H PHE A 69 -15.025 4.625 2.100 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.597 6.898 0.297 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -15.938 6.793 3.323 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.408 8.104 2.259 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.377 7.877 0.786 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.287 4.794 3.516 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.599 6.864 0.528 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.507 3.778 3.259 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.169 4.812 1.763 1.00 0.34 H new ATOM 1173 N ILE A 70 -12.980 6.233 1.958 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.634 6.691 2.284 1.00 0.11 C ATOM 1175 C ILE A 70 -10.881 7.089 1.024 1.00 0.12 C ATOM 1176 O ILE A 70 -11.362 6.887 -0.091 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.815 5.620 3.031 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.610 4.393 2.145 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.491 5.235 4.336 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.842 3.284 2.825 1.00 0.15 C ATOM 0 H ILE A 70 -13.117 5.224 2.023 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.754 7.554 2.939 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.838 6.040 3.270 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.583 4.013 1.833 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.079 4.691 1.241 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -10.895 4.478 4.845 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.581 6.115 4.973 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.483 4.835 4.128 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.733 2.444 2.139 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -8.856 3.648 3.113 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.383 2.959 3.714 1.00 0.15 H new ATOM 1192 N SER A 71 -9.696 7.653 1.211 1.00 0.12 N ATOM 1193 CA SER A 71 -8.877 8.090 0.091 1.00 0.14 C ATOM 1194 C SER A 71 -8.276 6.903 -0.648 1.00 0.13 C ATOM 1195 O SER A 71 -7.219 6.393 -0.273 1.00 0.15 O ATOM 1196 CB SER A 71 -7.765 9.014 0.582 1.00 0.17 C ATOM 1197 OG SER A 71 -8.299 10.169 1.205 1.00 1.14 O ATOM 0 H SER A 71 -9.281 7.818 2.128 1.00 0.12 H new ATOM 0 HA SER A 71 -9.518 8.634 -0.603 1.00 0.14 H new ATOM 0 HB2 SER A 71 -7.128 8.479 1.286 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.135 9.308 -0.258 1.00 0.17 H new ATOM 0 HG SER A 71 -7.567 10.743 1.512 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.956 6.468 -1.702 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.490 5.350 -2.508 1.00 0.12 C ATOM 1205 C LEU A 72 -7.590 5.852 -3.642 1.00 0.13 C ATOM 1206 O LEU A 72 -7.792 6.954 -4.153 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.683 4.576 -3.079 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.820 3.126 -2.606 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.757 3.040 -1.088 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -11.119 2.526 -3.118 1.00 0.16 C ATOM 0 H LEU A 72 -9.836 6.876 -2.018 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.910 4.679 -1.874 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.597 5.111 -2.821 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.608 4.579 -4.166 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.985 2.555 -3.012 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.857 2.000 -0.778 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.801 3.432 -0.741 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.568 3.627 -0.656 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.204 1.495 -2.775 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.961 3.105 -2.739 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -11.125 2.547 -4.208 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.583 5.058 -4.053 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.312 3.737 -3.479 1.00 0.11 C ATOM 1224 C PRO A 73 -5.667 3.828 -2.104 1.00 0.10 C ATOM 1225 O PRO A 73 -4.758 4.627 -1.881 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.347 3.113 -4.483 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.624 4.272 -5.070 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.620 5.401 -5.116 1.00 0.14 C ATOM 0 HA PRO A 73 -7.224 3.159 -3.326 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.660 2.421 -3.996 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.880 2.548 -5.248 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.758 4.540 -4.464 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.254 4.037 -6.068 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.144 6.364 -4.930 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.105 5.468 -6.090 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.147 3.001 -1.186 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.624 2.983 0.173 1.00 0.09 C ATOM 1238 C ALA A 74 -4.756 1.752 0.406 1.00 0.08 C ATOM 1239 O ALA A 74 -4.913 0.734 -0.267 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.768 3.027 1.172 1.00 0.09 C ATOM 0 H ALA A 74 -6.898 2.333 -1.358 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.999 3.865 0.314 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.367 3.013 2.185 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.346 3.939 1.023 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.413 2.161 1.025 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.839 1.852 1.361 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.947 0.745 1.679 1.00 0.07 C ATOM 1248 C LEU A 75 -3.345 0.073 2.988 1.00 0.07 C ATOM 1249 O LEU A 75 -3.186 0.648 4.062 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.506 1.242 1.775 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.505 0.226 2.326 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.312 -0.921 1.349 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.822 0.902 2.629 1.00 0.09 C ATOM 0 H LEU A 75 -3.694 2.688 1.928 1.00 0.07 H new ATOM 0 HA LEU A 75 -3.027 0.011 0.878 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.178 1.551 0.783 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.485 2.129 2.408 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.904 -0.183 3.254 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.404 -1.633 1.760 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.266 -1.421 1.182 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.065 -0.533 0.402 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.524 0.166 3.020 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.225 1.338 1.715 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.670 1.688 3.369 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.853 -1.147 2.892 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.261 -1.893 4.073 1.00 0.07 C ATOM 1267 C VAL A 76 -3.049 -2.503 4.766 1.00 0.07 C ATOM 1268 O VAL A 76 -2.590 -3.584 4.400 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.255 -3.013 3.716 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.671 -3.908 2.643 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.624 -3.821 4.951 1.00 0.10 C ATOM 0 H VAL A 76 -3.992 -1.640 2.010 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.753 -1.190 4.746 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.166 -2.557 3.329 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.383 -4.696 2.399 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.463 -3.318 1.750 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.746 -4.355 3.006 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.327 -4.607 4.675 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.725 -4.270 5.374 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.084 -3.166 5.691 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.538 -1.803 5.768 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.376 -2.273 6.504 1.00 0.08 C ATOM 1283 C TRP A 77 -1.626 -3.645 7.114 1.00 0.09 C ATOM 1284 O TRP A 77 -2.653 -3.877 7.751 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.007 -1.281 7.605 1.00 0.10 C ATOM 1286 CG TRP A 77 0.351 -1.523 8.176 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.649 -2.049 9.397 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.601 -1.250 7.537 1.00 0.09 C ATOM 1289 NE1 TRP A 77 2.010 -2.115 9.561 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.617 -1.631 8.432 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.958 -0.719 6.296 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.966 -1.497 8.124 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.297 -0.588 5.990 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.288 -0.975 6.901 1.00 0.12 C ATOM 0 H TRP A 77 -2.910 -0.909 6.089 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.549 -2.355 5.799 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.052 -0.268 7.204 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.747 -1.341 8.403 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.079 -2.367 10.129 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.491 -2.467 10.389 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.200 -0.416 5.589 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.732 -1.794 8.825 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.586 -0.180 5.032 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.328 -0.859 6.633 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.675 -4.551 6.912 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.778 -5.900 7.448 1.00 0.13 C ATOM 1307 C ARG A 78 0.400 -6.202 8.362 1.00 0.15 C ATOM 1308 O ARG A 78 1.550 -6.231 7.927 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.849 -6.923 6.315 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.231 -7.031 5.689 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.188 -7.805 6.581 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.809 -9.210 6.697 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.419 -10.078 7.497 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.438 -9.689 8.250 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -3.008 -11.338 7.543 1.00 0.38 N ATOM 0 H ARG A 78 0.177 -4.373 6.380 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.695 -5.968 8.033 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.128 -6.651 5.544 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.553 -7.900 6.698 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.628 -6.032 5.508 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.155 -7.525 4.720 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.208 -7.351 7.572 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.198 -7.734 6.178 1.00 0.30 H new ATOM 0 HE ARG A 78 -2.030 -9.545 6.130 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.756 -8.721 8.217 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -4.904 -10.358 8.863 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -2.224 -11.640 6.965 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.476 -12.005 8.157 1.00 0.38 H new ATOM 1329 N GLU A 79 0.098 -6.425 9.632 1.00 0.17 N ATOM 1330 CA GLU A 79 1.121 -6.718 10.627 1.00 0.20 C ATOM 1331 C GLU A 79 2.005 -7.876 10.182 1.00 0.23 C ATOM 1332 O GLU A 79 3.143 -8.008 10.631 1.00 0.28 O ATOM 1333 CB GLU A 79 0.469 -7.045 11.969 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.341 -5.896 12.544 1.00 0.28 C ATOM 1335 CD GLU A 79 -0.971 -6.236 13.880 1.00 0.86 C ATOM 1336 OE1 GLU A 79 -0.321 -6.001 14.920 1.00 1.13 O ATOM 1337 OE2 GLU A 79 -2.116 -6.735 13.887 1.00 1.75 O ATOM 0 H GLU A 79 -0.853 -6.409 10.001 1.00 0.17 H new ATOM 0 HA GLU A 79 1.749 -5.834 10.737 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.180 -7.912 11.847 1.00 0.21 H new ATOM 0 HB3 GLU A 79 1.244 -7.325 12.682 1.00 0.21 H new ATOM 0 HG2 GLU A 79 0.304 -5.025 12.662 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -1.124 -5.619 11.838 1.00 0.28 H new ATOM 1344 N ASP A 80 1.476 -8.713 9.298 1.00 0.24 N ATOM 1345 CA ASP A 80 2.223 -9.856 8.793 1.00 0.32 C ATOM 1346 C ASP A 80 3.085 -9.470 7.589 1.00 0.35 C ATOM 1347 O ASP A 80 3.832 -10.296 7.066 1.00 0.45 O ATOM 1348 CB ASP A 80 1.267 -10.986 8.418 1.00 0.34 C ATOM 1349 CG ASP A 80 0.133 -10.511 7.535 1.00 1.29 C ATOM 1350 OD1 ASP A 80 -0.785 -9.844 8.055 1.00 2.00 O ATOM 1351 OD2 ASP A 80 0.162 -10.808 6.322 1.00 1.86 O ATOM 0 H ASP A 80 0.534 -8.621 8.917 1.00 0.24 H new ATOM 0 HA ASP A 80 2.888 -10.200 9.585 1.00 0.32 H new ATOM 0 HB2 ASP A 80 1.821 -11.771 7.903 1.00 0.34 H new ATOM 0 HB3 ASP A 80 0.857 -11.428 9.326 1.00 0.34 H new ATOM 1356 N GLY A 81 2.978 -8.215 7.151 1.00 0.32 N ATOM 1357 CA GLY A 81 3.765 -7.758 6.023 1.00 0.40 C ATOM 1358 C GLY A 81 3.083 -7.999 4.690 1.00 0.45 C ATOM 1359 O GLY A 81 3.484 -7.431 3.676 1.00 0.82 O ATOM 0 H GLY A 81 2.362 -7.512 7.558 1.00 0.32 H new ATOM 0 HA2 GLY A 81 3.966 -6.693 6.135 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.729 -8.267 6.029 1.00 0.40 H new ATOM 1363 N ARG A 82 2.049 -8.833 4.689 1.00 0.18 N ATOM 1364 CA ARG A 82 1.321 -9.141 3.466 1.00 0.18 C ATOM 1365 C ARG A 82 0.273 -8.075 3.189 1.00 0.14 C ATOM 1366 O ARG A 82 -0.922 -8.364 3.132 1.00 0.17 O ATOM 1367 CB ARG A 82 0.651 -10.507 3.584 1.00 0.22 C ATOM 1368 CG ARG A 82 1.556 -11.575 4.169 1.00 0.29 C ATOM 1369 CD ARG A 82 2.505 -12.135 3.125 1.00 0.60 C ATOM 1370 NE ARG A 82 3.356 -13.195 3.663 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.181 -13.924 2.919 1.00 1.46 C ATOM 1372 NH1 ARG A 82 4.261 -13.711 1.612 1.00 1.68 N ATOM 1373 NH2 ARG A 82 4.923 -14.870 3.478 1.00 1.85 N ATOM 0 H ARG A 82 1.697 -9.307 5.521 1.00 0.18 H new ATOM 0 HA ARG A 82 2.029 -9.161 2.638 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.239 -10.414 4.207 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.317 -10.826 2.597 1.00 0.22 H new ATOM 0 HG2 ARG A 82 2.130 -11.154 4.995 1.00 0.29 H new ATOM 0 HG3 ARG A 82 0.949 -12.382 4.580 1.00 0.29 H new ATOM 0 HD2 ARG A 82 1.929 -12.525 2.285 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.131 -11.331 2.737 1.00 0.60 H new ATOM 0 HE ARG A 82 3.314 -13.385 4.664 1.00 0.96 H new ATOM 0 HH11 ARG A 82 3.689 -12.987 1.177 1.00 1.68 H new ATOM 0 HH12 ARG A 82 4.895 -14.271 1.042 1.00 1.68 H new ATOM 0 HH21 ARG A 82 4.861 -15.040 4.482 1.00 1.85 H new ATOM 0 HH22 ARG A 82 5.555 -15.428 2.904 1.00 1.85 H new ATOM 1387 N HIS A 83 0.729 -6.845 3.013 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.175 -5.733 2.755 1.00 0.09 C ATOM 1389 C HIS A 83 -0.638 -5.743 1.306 1.00 0.08 C ATOM 1390 O HIS A 83 -0.159 -6.531 0.490 1.00 0.10 O ATOM 1391 CB HIS A 83 0.493 -4.383 3.056 1.00 0.12 C ATOM 1392 CG HIS A 83 1.646 -4.452 4.012 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.456 -4.666 5.356 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.971 -4.312 3.769 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.661 -4.651 5.898 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.611 -4.440 4.975 1.00 0.15 N ATOM 0 H HIS A 83 1.716 -6.591 3.044 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.033 -5.857 3.416 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.842 -3.949 2.119 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.257 -3.705 3.462 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.434 -4.134 2.810 1.00 0.13 H new ATOM 0 HE1 HIS A 83 2.856 -4.791 6.951 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.616 -4.385 5.139 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.580 -4.864 1.000 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.101 -4.733 -0.350 1.00 0.08 C ATOM 1406 C PHE A 84 -2.817 -3.397 -0.500 1.00 0.08 C ATOM 1407 O PHE A 84 -3.354 -2.857 0.467 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.019 -5.906 -0.709 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.132 -6.153 0.268 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -3.954 -7.001 1.352 1.00 0.11 C ATOM 1411 CD2 PHE A 84 -5.365 -5.552 0.091 1.00 0.12 C ATOM 1412 CE1 PHE A 84 -4.986 -7.240 2.239 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -6.398 -5.786 0.974 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.211 -6.631 2.049 1.00 0.15 C ATOM 0 H PHE A 84 -2.001 -4.226 1.675 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.266 -4.758 -1.050 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.451 -5.724 -1.693 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.416 -6.811 -0.788 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -2.998 -7.480 1.504 1.00 0.11 H new ATOM 0 HD2 PHE A 84 -5.521 -4.891 -0.749 1.00 0.12 H new ATOM 0 HE1 PHE A 84 -4.835 -7.902 3.079 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -7.355 -5.307 0.824 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.020 -6.816 2.740 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.826 -2.866 -1.715 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.440 -1.571 -1.976 1.00 0.09 C ATOM 1426 C ILE A 85 -4.879 -1.698 -2.460 1.00 0.08 C ATOM 1427 O ILE A 85 -5.140 -2.249 -3.527 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.625 -0.778 -3.020 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.199 -0.549 -2.518 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.295 0.551 -3.337 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.364 0.310 -3.446 1.00 0.12 C ATOM 0 H ILE A 85 -2.415 -3.312 -2.535 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.446 -1.036 -1.026 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.584 -1.365 -3.938 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.239 -0.077 -1.536 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.708 -1.514 -2.388 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.701 1.091 -4.075 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.293 0.369 -3.736 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.371 1.146 -2.427 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.635 0.432 -3.028 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.294 -0.171 -4.422 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.832 1.288 -3.556 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.807 -1.171 -1.665 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.218 -1.188 -2.021 1.00 0.08 C ATOM 1445 C LEU A 86 -7.494 -0.079 -3.025 1.00 0.08 C ATOM 1446 O LEU A 86 -7.168 1.080 -2.779 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.093 -1.003 -0.779 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.598 -0.928 -1.053 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -10.071 -2.178 -1.777 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.367 -0.743 0.245 1.00 0.14 C ATOM 0 H LEU A 86 -5.604 -0.727 -0.769 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.461 -2.154 -2.465 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.904 -1.829 -0.094 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.786 -0.090 -0.269 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.788 -0.066 -1.693 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.143 -2.107 -1.963 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.543 -2.270 -2.726 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.867 -3.054 -1.161 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.435 -0.692 0.031 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.170 -1.585 0.908 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.049 0.181 0.728 1.00 0.14 H new ATOM 1462 N THR A 87 -8.090 -0.435 -4.153 1.00 0.08 N ATOM 1463 CA THR A 87 -8.375 0.540 -5.197 1.00 0.09 C ATOM 1464 C THR A 87 -9.869 0.735 -5.412 1.00 0.09 C ATOM 1465 O THR A 87 -10.294 1.738 -5.984 1.00 0.11 O ATOM 1466 CB THR A 87 -7.734 0.116 -6.528 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.260 -1.149 -6.940 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.225 0.020 -6.388 1.00 0.13 C ATOM 0 H THR A 87 -8.385 -1.387 -4.369 1.00 0.08 H new ATOM 0 HA THR A 87 -7.948 1.485 -4.861 1.00 0.09 H new ATOM 0 HB THR A 87 -7.968 0.869 -7.280 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.509 -1.673 -6.150 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.790 -0.281 -7.341 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.824 0.991 -6.097 1.00 0.13 H new ATOM 0 HG23 THR A 87 -5.977 -0.718 -5.626 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.665 -0.225 -4.958 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.108 -0.142 -5.117 1.00 0.10 C ATOM 1478 C LYS A 88 -12.809 -1.236 -4.329 1.00 0.11 C ATOM 1479 O LYS A 88 -12.217 -2.270 -4.016 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.478 -0.243 -6.596 1.00 0.12 C ATOM 1481 CG LYS A 88 -13.973 -0.319 -6.849 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.278 -0.435 -8.333 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.770 -0.588 -8.587 1.00 0.55 C ATOM 1484 NZ LYS A 88 -16.540 0.591 -8.101 1.00 1.43 N ATOM 0 H LYS A 88 -10.337 -1.064 -4.480 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.438 0.821 -4.728 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -12.073 0.622 -7.122 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -12.002 -1.127 -7.021 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.390 -1.177 -6.322 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.458 0.570 -6.445 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.909 0.450 -8.851 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.748 -1.292 -8.748 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -15.945 -0.721 -9.655 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -16.132 -1.488 -8.090 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -17.517 0.537 -8.454 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -16.548 0.596 -7.061 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -16.094 1.464 -8.448 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.073 -0.999 -4.008 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.859 -1.963 -3.259 1.00 0.15 C ATOM 1500 C VAL A 89 -16.246 -2.135 -3.872 1.00 0.17 C ATOM 1501 O VAL A 89 -17.001 -1.172 -4.007 1.00 0.20 O ATOM 1502 CB VAL A 89 -14.990 -1.550 -1.776 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.625 -1.218 -1.196 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.940 -0.373 -1.609 1.00 0.21 C ATOM 0 H VAL A 89 -14.574 -0.146 -4.256 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.332 -2.916 -3.308 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.408 -2.395 -1.229 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.734 -0.929 -0.151 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -12.978 -2.092 -1.265 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.182 -0.394 -1.756 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -16.009 -0.108 -0.554 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.565 0.481 -2.173 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.928 -0.647 -1.980 1.00 0.21 H new ATOM 1514 N SER A 90 -16.570 -3.363 -4.252 1.00 0.20 N ATOM 1515 CA SER A 90 -17.867 -3.656 -4.844 1.00 0.24 C ATOM 1516 C SER A 90 -18.841 -4.134 -3.774 1.00 0.23 C ATOM 1517 O SER A 90 -19.185 -5.312 -3.722 1.00 0.22 O ATOM 1518 CB SER A 90 -17.727 -4.715 -5.936 1.00 0.27 C ATOM 1519 OG SER A 90 -16.787 -4.316 -6.917 1.00 1.15 O ATOM 0 H SER A 90 -15.954 -4.171 -4.161 1.00 0.20 H new ATOM 0 HA SER A 90 -18.257 -2.742 -5.291 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.415 -5.660 -5.492 1.00 0.27 H new ATOM 0 HB3 SER A 90 -18.696 -4.888 -6.405 1.00 0.27 H new ATOM 0 HG SER A 90 -16.715 -5.012 -7.603 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.280 -3.210 -2.927 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.208 -3.539 -1.853 1.00 0.31 C ATOM 1527 C LYS A 91 -21.420 -4.284 -2.397 1.00 0.33 C ATOM 1528 O LYS A 91 -22.028 -5.097 -1.700 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.658 -2.265 -1.136 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.216 -2.516 0.254 1.00 0.80 C ATOM 1531 CD LYS A 91 -20.141 -3.032 1.198 1.00 1.43 C ATOM 1532 CE LYS A 91 -20.700 -3.308 2.584 1.00 1.61 C ATOM 1533 NZ LYS A 91 -21.300 -2.091 3.197 1.00 1.86 N ATOM 0 H LYS A 91 -19.008 -2.228 -2.964 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.693 -4.186 -1.143 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -19.812 -1.582 -1.061 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.417 -1.767 -1.739 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -21.638 -1.593 0.651 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -22.029 -3.239 0.196 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -19.707 -3.945 0.792 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.336 -2.300 1.269 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -21.455 -4.092 2.521 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -19.904 -3.683 3.228 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -21.220 -2.148 4.232 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -20.797 -1.247 2.857 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -22.303 -2.027 2.931 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.765 -3.999 -3.646 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.900 -4.642 -4.292 1.00 0.41 C ATOM 1549 C GLU A 92 -22.689 -6.147 -4.353 1.00 0.35 C ATOM 1550 O GLU A 92 -23.635 -6.928 -4.264 1.00 0.39 O ATOM 1551 CB GLU A 92 -23.086 -4.086 -5.702 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.316 -2.584 -5.736 1.00 0.57 C ATOM 1553 CD GLU A 92 -24.566 -2.167 -4.988 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -24.506 -2.064 -3.745 1.00 2.09 O ATOM 1555 OE2 GLU A 92 -25.606 -1.948 -5.645 1.00 1.29 O ATOM 0 H GLU A 92 -21.273 -3.325 -4.233 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.796 -4.435 -3.707 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -22.204 -4.324 -6.297 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.933 -4.586 -6.172 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -22.453 -2.078 -5.303 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -23.391 -2.255 -6.773 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.432 -6.539 -4.508 1.00 0.30 N ATOM 1563 CA ALA A 93 -21.065 -7.945 -4.579 1.00 0.30 C ATOM 1564 C ALA A 93 -20.196 -8.355 -3.389 1.00 0.26 C ATOM 1565 O ALA A 93 -19.814 -9.519 -3.264 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.336 -8.223 -5.883 1.00 0.36 C ATOM 0 H ALA A 93 -20.644 -5.896 -4.587 1.00 0.30 H new ATOM 0 HA ALA A 93 -21.979 -8.537 -4.543 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -20.064 -9.277 -5.930 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -20.986 -7.978 -6.723 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.434 -7.613 -5.933 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.888 -7.396 -2.516 1.00 0.18 N ATOM 1573 CA ASN A 94 -19.068 -7.660 -1.346 1.00 0.18 C ATOM 1574 C ASN A 94 -17.621 -7.927 -1.744 1.00 0.19 C ATOM 1575 O ASN A 94 -16.852 -8.475 -0.962 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.620 -8.854 -0.570 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.128 -8.806 -0.434 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.856 -9.320 -1.282 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.604 -8.186 0.637 1.00 0.44 N ATOM 0 H ASN A 94 -20.198 -6.428 -2.602 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.095 -6.776 -0.709 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.332 -9.776 -1.075 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.169 -8.879 0.422 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.611 -8.121 0.783 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.963 -7.774 1.315 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.250 -7.527 -2.957 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.893 -7.737 -3.439 1.00 0.15 C ATOM 1588 C ARG A 95 -15.024 -6.517 -3.169 1.00 0.13 C ATOM 1589 O ARG A 95 -15.527 -5.443 -2.835 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.902 -8.053 -4.932 1.00 0.18 C ATOM 1591 CG ARG A 95 -16.861 -9.166 -5.306 1.00 0.26 C ATOM 1592 CD ARG A 95 -16.992 -9.296 -6.812 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.483 -8.065 -7.426 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.691 -7.925 -8.731 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -17.447 -8.934 -9.556 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -18.146 -6.776 -9.212 1.00 1.98 N ATOM 0 H ARG A 95 -17.868 -7.058 -3.619 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.471 -8.585 -2.900 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.169 -7.152 -5.485 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.895 -8.331 -5.243 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.509 -10.109 -4.886 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.840 -8.968 -4.869 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -16.023 -9.553 -7.240 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.672 -10.115 -7.048 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.677 -7.268 -6.819 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -17.099 -9.820 -9.189 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.607 -8.824 -10.557 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -18.337 -5.998 -8.580 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -18.305 -6.670 -10.214 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.717 -6.689 -3.316 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.773 -5.608 -3.080 1.00 0.10 C ATOM 1612 C TYR A 96 -11.613 -5.657 -4.063 1.00 0.08 C ATOM 1613 O TYR A 96 -10.927 -6.672 -4.179 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.255 -5.695 -1.650 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.350 -5.534 -0.625 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.194 -6.590 -0.310 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.552 -4.318 0.007 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.210 -6.437 0.612 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.568 -4.154 0.927 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.395 -5.217 1.228 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.411 -5.060 2.140 1.00 0.17 O ATOM 0 H TYR A 96 -13.287 -7.570 -3.598 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.290 -4.660 -3.228 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.764 -6.657 -1.503 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.500 -4.925 -1.494 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -14.054 -7.546 -0.793 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.904 -3.485 -0.224 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.857 -7.269 0.850 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.715 -3.199 1.409 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.519 -5.887 2.655 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.395 -4.551 -4.765 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.314 -4.470 -5.736 1.00 0.07 C ATOM 1633 C LEU A 97 -9.028 -4.003 -5.073 1.00 0.07 C ATOM 1634 O LEU A 97 -8.911 -2.847 -4.677 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.680 -3.507 -6.862 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.643 -3.403 -7.979 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.533 -4.718 -8.735 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -9.994 -2.263 -8.921 1.00 0.13 C ATOM 0 H LEU A 97 -11.952 -3.701 -4.679 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.160 -5.467 -6.149 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.630 -3.821 -7.295 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.836 -2.516 -6.437 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.672 -3.191 -7.532 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.789 -4.622 -9.526 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.232 -5.509 -8.048 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.499 -4.967 -9.174 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.246 -2.201 -9.712 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -10.974 -2.444 -9.362 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -10.014 -1.325 -8.366 1.00 0.13 H new ATOM 1650 N ILE A 98 -8.058 -4.899 -4.974 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.786 -4.567 -4.356 1.00 0.09 C ATOM 1652 C ILE A 98 -5.633 -4.823 -5.306 1.00 0.09 C ATOM 1653 O ILE A 98 -5.774 -5.552 -6.284 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.557 -5.390 -3.078 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.505 -6.884 -3.403 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.647 -5.105 -2.057 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.161 -7.354 -3.919 1.00 0.11 C ATOM 0 H ILE A 98 -8.128 -5.859 -5.313 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.825 -3.507 -4.105 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.599 -5.098 -2.649 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.757 -7.450 -2.506 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.268 -7.111 -4.147 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.468 -5.697 -1.159 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.638 -4.045 -1.801 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.617 -5.368 -2.478 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.205 -8.423 -4.126 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.915 -6.816 -4.835 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.395 -7.161 -3.168 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.490 -4.218 -5.022 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.315 -4.415 -5.851 1.00 0.11 C ATOM 1671 C PHE A 99 -2.330 -5.335 -5.147 1.00 0.12 C ATOM 1672 O PHE A 99 -1.751 -4.972 -4.127 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.645 -3.084 -6.185 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.577 -3.217 -7.230 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.888 -3.114 -8.577 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.262 -3.455 -6.866 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.907 -3.244 -9.540 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.723 -3.588 -7.824 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.401 -3.482 -9.163 1.00 0.15 C ATOM 0 H PHE A 99 -4.353 -3.591 -4.229 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.633 -4.876 -6.786 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.401 -2.379 -6.532 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.210 -2.664 -5.278 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.909 -2.930 -8.877 1.00 0.16 H new ATOM 0 HD2 PHE A 99 -0.004 -3.537 -5.820 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.162 -3.160 -10.586 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.744 -3.775 -7.527 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.170 -3.585 -9.914 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.156 -6.533 -5.691 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.248 -7.511 -5.107 1.00 0.20 C ATOM 1691 C ASP A 100 0.202 -7.070 -5.258 1.00 0.15 C ATOM 1692 O ASP A 100 0.717 -6.946 -6.369 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.456 -8.879 -5.754 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.674 -9.973 -5.054 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.559 -10.034 -5.243 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.294 -10.767 -4.318 1.00 0.58 O ATOM 0 H ASP A 100 -2.632 -6.850 -6.536 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.470 -7.586 -4.042 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.517 -9.128 -5.739 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -1.154 -8.833 -6.800 1.00 0.28 H new ATOM 1701 N LEU A 101 0.852 -6.835 -4.125 1.00 0.14 N ATOM 1702 CA LEU A 101 2.242 -6.399 -4.104 1.00 0.12 C ATOM 1703 C LEU A 101 3.204 -7.539 -4.442 1.00 0.13 C ATOM 1704 O LEU A 101 4.406 -7.318 -4.594 1.00 0.16 O ATOM 1705 CB LEU A 101 2.575 -5.820 -2.723 1.00 0.14 C ATOM 1706 CG LEU A 101 1.938 -4.460 -2.391 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.603 -4.279 -3.096 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.750 -4.321 -0.890 1.00 0.11 C ATOM 0 H LEU A 101 0.434 -6.940 -3.201 1.00 0.14 H new ATOM 0 HA LEU A 101 2.366 -5.632 -4.868 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.265 -6.539 -1.965 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.658 -5.721 -2.644 1.00 0.14 H new ATOM 0 HG LEU A 101 2.615 -3.683 -2.747 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.184 -3.307 -2.837 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.751 -4.335 -4.175 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.084 -5.065 -2.783 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.298 -3.354 -0.668 1.00 0.11 H new ATOM 0 HD22 LEU A 101 1.099 -5.117 -0.530 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.718 -4.392 -0.394 1.00 0.11 H new ATOM 1720 N GLU A 102 2.678 -8.757 -4.557 1.00 0.14 N ATOM 1721 CA GLU A 102 3.503 -9.917 -4.871 1.00 0.16 C ATOM 1722 C GLU A 102 3.566 -10.141 -6.374 1.00 0.16 C ATOM 1723 O GLU A 102 4.637 -10.361 -6.941 1.00 0.20 O ATOM 1724 CB GLU A 102 2.937 -11.164 -4.193 1.00 0.17 C ATOM 1725 CG GLU A 102 2.486 -10.924 -2.766 1.00 0.21 C ATOM 1726 CD GLU A 102 2.058 -12.198 -2.065 1.00 0.23 C ATOM 1727 OE1 GLU A 102 0.867 -12.562 -2.170 1.00 0.29 O ATOM 1728 OE2 GLU A 102 2.913 -12.831 -1.410 1.00 0.32 O ATOM 0 H GLU A 102 1.686 -8.964 -4.437 1.00 0.14 H new ATOM 0 HA GLU A 102 4.511 -9.728 -4.500 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.093 -11.533 -4.775 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.695 -11.947 -4.199 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.298 -10.461 -2.206 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.656 -10.218 -2.766 1.00 0.21 H new ATOM 1735 N GLN A 103 2.403 -10.084 -7.008 1.00 0.15 N ATOM 1736 CA GLN A 103 2.299 -10.284 -8.444 1.00 0.16 C ATOM 1737 C GLN A 103 2.379 -8.960 -9.199 1.00 0.15 C ATOM 1738 O GLN A 103 2.548 -8.945 -10.417 1.00 0.17 O ATOM 1739 CB GLN A 103 0.986 -10.987 -8.772 1.00 0.17 C ATOM 1740 CG GLN A 103 0.675 -12.127 -7.825 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.651 -12.794 -8.122 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -1.097 -12.838 -9.269 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.289 -13.318 -7.083 1.00 0.45 N ATOM 0 H GLN A 103 1.513 -9.899 -6.545 1.00 0.15 H new ATOM 0 HA GLN A 103 3.138 -10.903 -8.761 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.173 -10.262 -8.739 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.030 -11.370 -9.792 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.471 -12.869 -7.884 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.666 -11.751 -6.802 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.881 -13.257 -6.150 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -2.188 -13.781 -7.217 1.00 0.45 H new ATOM 1752 N ARG A 104 2.254 -7.851 -8.470 1.00 0.15 N ATOM 1753 CA ARG A 104 2.310 -6.532 -9.083 1.00 0.15 C ATOM 1754 C ARG A 104 1.105 -6.316 -9.984 1.00 0.16 C ATOM 1755 O ARG A 104 1.162 -5.552 -10.948 1.00 0.20 O ATOM 1756 CB ARG A 104 3.603 -6.381 -9.882 1.00 0.16 C ATOM 1757 CG ARG A 104 4.845 -6.709 -9.074 1.00 0.17 C ATOM 1758 CD ARG A 104 6.104 -6.604 -9.913 1.00 0.21 C ATOM 1759 NE ARG A 104 6.381 -5.232 -10.334 1.00 0.79 N ATOM 1760 CZ ARG A 104 7.147 -4.923 -11.376 1.00 0.98 C ATOM 1761 NH1 ARG A 104 7.711 -5.885 -12.094 1.00 0.64 N ATOM 1762 NH2 ARG A 104 7.353 -3.655 -11.699 1.00 1.67 N ATOM 0 H ARG A 104 2.114 -7.843 -7.460 1.00 0.15 H new ATOM 0 HA ARG A 104 2.293 -5.778 -8.296 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.562 -7.033 -10.754 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.677 -5.358 -10.252 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.916 -6.030 -8.224 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.760 -7.718 -8.670 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.951 -6.984 -9.341 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.004 -7.238 -10.794 1.00 0.21 H new ATOM 0 HE ARG A 104 5.964 -4.470 -9.799 1.00 0.79 H new ATOM 0 HH11 ARG A 104 7.557 -6.863 -11.847 1.00 0.64 H new ATOM 0 HH12 ARG A 104 8.298 -5.647 -12.893 1.00 0.64 H new ATOM 0 HH21 ARG A 104 6.923 -2.912 -11.148 1.00 1.67 H new ATOM 0 HH22 ARG A 104 7.941 -3.422 -12.499 1.00 1.67 H new ATOM 1776 N ASN A 105 0.009 -6.992 -9.658 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.212 -6.885 -10.440 1.00 0.16 C ATOM 1778 C ASN A 105 -2.427 -6.691 -9.540 1.00 0.13 C ATOM 1779 O ASN A 105 -2.412 -7.074 -8.370 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.404 -8.143 -11.285 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.577 -9.390 -10.435 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -2.063 -9.323 -9.306 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.184 -10.537 -10.975 1.00 0.45 N ATOM 0 H ASN A 105 -0.057 -7.620 -8.857 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.118 -6.015 -11.090 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.278 -8.018 -11.924 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.544 -8.271 -11.942 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.280 -11.407 -10.451 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.786 -10.549 -11.914 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.502 -6.089 -10.079 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.736 -5.859 -9.332 1.00 0.13 C ATOM 1792 C PRO A 106 -5.510 -7.149 -9.115 1.00 0.15 C ATOM 1793 O PRO A 106 -5.321 -8.127 -9.836 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.541 -4.903 -10.222 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.606 -4.472 -11.301 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.603 -5.575 -11.447 1.00 0.22 C ATOM 0 HA PRO A 106 -4.538 -5.458 -8.338 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.417 -5.400 -10.639 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.902 -4.047 -9.651 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.141 -4.305 -12.236 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.117 -3.533 -11.041 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.940 -6.341 -12.145 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.645 -5.207 -11.815 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.383 -7.143 -8.119 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.183 -8.312 -7.802 1.00 0.13 C ATOM 1806 C ARG A 107 -8.481 -7.916 -7.121 1.00 0.11 C ATOM 1807 O ARG A 107 -8.566 -6.870 -6.486 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.398 -9.260 -6.901 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.285 -9.996 -7.624 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.726 -11.128 -6.777 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.736 -12.141 -6.485 1.00 0.35 N ATOM 1812 CZ ARG A 107 -6.077 -13.106 -7.333 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -5.497 -13.177 -8.525 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -6.997 -13.996 -6.992 1.00 1.02 N ATOM 0 H ARG A 107 -6.554 -6.338 -7.516 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.423 -8.818 -8.737 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.971 -8.693 -6.074 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -7.083 -9.988 -6.468 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.663 -10.396 -8.565 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.486 -9.297 -7.873 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.888 -11.591 -7.298 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -4.337 -10.724 -5.843 1.00 0.27 H new ATOM 0 HE ARG A 107 -6.206 -12.106 -5.580 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -4.790 -12.491 -8.790 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -5.758 -13.917 -9.176 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -7.445 -13.941 -6.077 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -7.257 -14.736 -7.644 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.486 -8.768 -7.256 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.787 -8.519 -6.655 1.00 0.12 C ATOM 1830 C VAL A 108 -11.121 -9.600 -5.636 1.00 0.12 C ATOM 1831 O VAL A 108 -11.506 -10.712 -5.999 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.899 -8.464 -7.716 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.249 -8.204 -7.063 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.590 -7.402 -8.760 1.00 0.61 C ATOM 0 H VAL A 108 -9.425 -9.642 -7.779 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.732 -7.550 -6.158 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.944 -9.431 -8.218 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -14.023 -8.168 -7.830 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.473 -9.005 -6.358 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.219 -7.252 -6.533 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.388 -7.378 -9.502 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.515 -6.428 -8.277 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.646 -7.638 -9.250 1.00 0.61 H new ATOM 1844 N LEU A 109 -10.971 -9.267 -4.362 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.244 -10.214 -3.290 1.00 0.12 C ATOM 1846 C LEU A 109 -12.694 -10.147 -2.852 1.00 0.12 C ATOM 1847 O LEU A 109 -13.400 -9.182 -3.139 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.352 -9.929 -2.082 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.869 -10.237 -2.271 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.231 -9.229 -3.211 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -8.162 -10.242 -0.925 1.00 0.14 C ATOM 0 H LEU A 109 -10.662 -8.348 -4.045 1.00 0.12 H new ATOM 0 HA LEU A 109 -11.034 -11.211 -3.678 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.455 -8.877 -1.817 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.720 -10.509 -1.236 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.770 -11.226 -2.719 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.174 -9.464 -3.334 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.727 -9.271 -4.181 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.334 -8.227 -2.794 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -7.105 -10.463 -1.070 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.267 -9.264 -0.455 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.607 -11.003 -0.283 1.00 0.14 H new ATOM 1863 N GLU A 110 -13.128 -11.185 -2.156 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.482 -11.243 -1.642 1.00 0.13 C ATOM 1865 C GLU A 110 -14.483 -10.762 -0.202 1.00 0.12 C ATOM 1866 O GLU A 110 -13.465 -10.851 0.481 1.00 0.12 O ATOM 1867 CB GLU A 110 -15.028 -12.666 -1.724 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.688 -13.364 -3.027 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.391 -14.700 -3.176 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -14.842 -15.716 -2.702 1.00 0.34 O ATOM 1871 OE2 GLU A 110 -16.491 -14.729 -3.767 1.00 0.33 O ATOM 0 H GLU A 110 -12.558 -12.001 -1.935 1.00 0.13 H new ATOM 0 HA GLU A 110 -15.124 -10.601 -2.245 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.631 -13.249 -0.893 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -16.111 -12.640 -1.606 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.961 -12.719 -3.862 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.610 -13.517 -3.082 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.611 -10.259 0.269 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.693 -9.754 1.633 1.00 0.13 C ATOM 1880 C GLN A 111 -15.092 -10.740 2.624 1.00 0.12 C ATOM 1881 O GLN A 111 -14.304 -10.362 3.484 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.134 -9.445 2.014 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.273 -8.986 3.448 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.604 -8.327 3.731 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.626 -8.675 3.137 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.594 -7.361 4.639 1.00 0.31 N ATOM 0 H GLN A 111 -16.477 -10.189 -0.265 1.00 0.13 H new ATOM 0 HA GLN A 111 -15.115 -8.831 1.674 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.523 -8.673 1.350 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.745 -10.335 1.861 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.149 -9.842 4.111 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.471 -8.285 3.679 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.723 -7.108 5.105 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.458 -6.871 4.872 1.00 0.31 H new ATOM 1895 N SER A 112 -15.467 -12.001 2.502 1.00 0.13 N ATOM 1896 CA SER A 112 -14.939 -13.023 3.391 1.00 0.14 C ATOM 1897 C SER A 112 -13.419 -13.055 3.294 1.00 0.14 C ATOM 1898 O SER A 112 -12.725 -13.288 4.284 1.00 0.16 O ATOM 1899 CB SER A 112 -15.523 -14.392 3.043 1.00 0.16 C ATOM 1900 OG SER A 112 -16.919 -14.429 3.289 1.00 0.95 O ATOM 0 H SER A 112 -16.128 -12.341 1.804 1.00 0.13 H new ATOM 0 HA SER A 112 -15.225 -12.781 4.414 1.00 0.14 H new ATOM 0 HB2 SER A 112 -15.329 -14.618 1.994 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.026 -15.163 3.632 1.00 0.16 H new ATOM 0 HG SER A 112 -17.269 -15.315 3.057 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.909 -12.817 2.088 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.473 -12.799 1.852 1.00 0.13 C ATOM 1908 C GLU A 113 -10.861 -11.517 2.394 1.00 0.14 C ATOM 1909 O GLU A 113 -9.906 -11.549 3.170 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.182 -12.916 0.358 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.591 -14.250 -0.235 1.00 0.18 C ATOM 1912 CD GLU A 113 -10.796 -15.409 0.332 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -11.149 -15.890 1.430 1.00 0.30 O ATOM 1914 OE2 GLU A 113 -9.823 -15.838 -0.322 1.00 0.31 O ATOM 0 H GLU A 113 -13.473 -12.634 1.258 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.029 -13.649 2.371 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.704 -12.118 -0.169 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.116 -12.765 0.191 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.652 -14.416 -0.048 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.459 -14.218 -1.316 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.420 -10.387 1.976 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.932 -9.094 2.417 1.00 0.12 C ATOM 1923 C PHE A 114 -11.065 -8.970 3.928 1.00 0.13 C ATOM 1924 O PHE A 114 -10.209 -8.391 4.592 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.695 -7.969 1.722 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.162 -6.613 2.065 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -11.608 -5.946 3.192 1.00 0.14 C ATOM 1928 CD2 PHE A 114 -10.225 -6.001 1.252 1.00 0.12 C ATOM 1929 CE1 PHE A 114 -11.127 -4.690 3.503 1.00 0.15 C ATOM 1930 CE2 PHE A 114 -9.743 -4.744 1.554 1.00 0.13 C ATOM 1931 CZ PHE A 114 -10.151 -4.115 2.720 1.00 0.14 C ATOM 0 H PHE A 114 -12.211 -10.344 1.333 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.878 -9.011 2.150 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.643 -8.113 0.643 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.747 -8.023 2.001 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -12.340 -6.413 3.835 1.00 0.14 H new ATOM 0 HD2 PHE A 114 -9.867 -6.513 0.371 1.00 0.12 H new ATOM 0 HE1 PHE A 114 -11.516 -4.159 4.359 1.00 0.15 H new ATOM 0 HE2 PHE A 114 -9.052 -4.253 0.886 1.00 0.13 H new ATOM 0 HZ PHE A 114 -9.705 -3.176 3.014 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.152 -9.512 4.459 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.395 -9.495 5.894 1.00 0.14 C ATOM 1943 C GLU A 115 -11.387 -10.391 6.588 1.00 0.15 C ATOM 1944 O GLU A 115 -10.936 -10.113 7.700 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.806 -9.985 6.204 1.00 0.14 C ATOM 1946 CG GLU A 115 -14.890 -8.969 5.904 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.265 -9.441 6.338 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.607 -10.608 6.056 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -16.997 -8.643 6.960 1.00 0.66 O ATOM 0 H GLU A 115 -12.882 -9.971 3.914 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.291 -8.471 6.254 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.000 -10.890 5.628 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.861 -10.260 7.257 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.655 -8.032 6.409 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -14.902 -8.760 4.834 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.045 -11.475 5.910 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.089 -12.440 6.421 1.00 0.15 C ATOM 1958 C ALA A 116 -8.669 -11.880 6.391 1.00 0.16 C ATOM 1959 O ALA A 116 -7.770 -12.415 7.039 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.172 -13.721 5.607 1.00 0.17 C ATOM 0 H ALA A 116 -11.422 -11.709 4.992 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.337 -12.656 7.460 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.453 -14.444 5.992 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.178 -14.134 5.681 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -9.944 -13.504 4.563 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.471 -10.802 5.636 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.158 -10.183 5.522 1.00 0.18 C ATOM 1968 C LEU A 117 -7.124 -8.827 6.217 1.00 0.19 C ATOM 1969 O LEU A 117 -6.124 -8.457 6.829 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.788 -10.019 4.048 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.822 -11.310 3.230 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.754 -11.002 1.743 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.679 -12.226 3.641 1.00 0.23 C ATOM 0 H LEU A 117 -9.203 -10.341 5.096 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.433 -10.834 6.011 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.471 -9.300 3.595 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.787 -9.592 3.985 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.763 -11.822 3.429 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.779 -11.933 1.177 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.605 -10.382 1.460 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.829 -10.469 1.524 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.716 -13.141 3.050 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.728 -11.721 3.469 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.773 -12.473 4.699 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.223 -8.091 6.122 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.313 -6.771 6.730 1.00 0.14 C ATOM 1987 C TYR A 118 -8.184 -6.858 8.247 1.00 0.20 C ATOM 1988 O TYR A 118 -8.665 -7.806 8.868 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.637 -6.103 6.356 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.698 -4.638 6.721 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.722 -3.749 6.289 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.737 -4.146 7.497 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.782 -2.410 6.621 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.806 -2.808 7.833 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.794 -1.943 7.395 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.893 -0.612 7.723 1.00 0.33 O ATOM 0 H TYR A 118 -9.066 -8.386 5.629 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.489 -6.168 6.349 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.798 -6.209 5.283 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.453 -6.627 6.854 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -7.904 -4.111 5.684 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.505 -4.821 7.845 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.021 -1.732 6.263 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.628 -2.434 8.425 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.210 -0.525 8.646 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.531 -5.863 8.835 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.338 -5.828 10.281 1.00 0.29 C ATOM 2008 C GLN A 119 -8.031 -4.614 10.903 1.00 0.26 C ATOM 2009 O GLN A 119 -8.278 -4.585 12.109 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.847 -5.800 10.622 1.00 0.36 C ATOM 2011 CG GLN A 119 -4.994 -6.684 9.726 1.00 0.56 C ATOM 2012 CD GLN A 119 -3.567 -6.804 10.223 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -2.724 -5.955 9.935 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -3.285 -7.869 10.962 1.00 0.36 N ATOM 0 H GLN A 119 -7.127 -5.071 8.335 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.785 -6.732 10.696 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.487 -4.773 10.552 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.715 -6.114 11.657 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -5.440 -7.677 9.668 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -4.991 -6.277 8.715 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -4.015 -8.548 11.177 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -2.338 -8.008 11.315 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.339 -3.615 10.080 1.00 0.26 N ATOM 2024 CA GLY A 120 -8.992 -2.418 10.579 1.00 0.25 C ATOM 2025 C GLY A 120 -8.137 -1.177 10.408 1.00 0.22 C ATOM 2026 O GLY A 120 -8.648 -0.057 10.414 1.00 0.35 O ATOM 0 H GLY A 120 -8.148 -3.613 9.078 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -9.938 -2.279 10.056 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.228 -2.550 11.635 1.00 0.25 H new ATOM 2030 N HIS A 121 -6.832 -1.378 10.253 1.00 0.20 N ATOM 2031 CA HIS A 121 -5.906 -0.269 10.078 1.00 0.18 C ATOM 2032 C HIS A 121 -5.502 -0.127 8.619 1.00 0.17 C ATOM 2033 O HIS A 121 -4.941 -1.049 8.025 1.00 0.26 O ATOM 2034 CB HIS A 121 -4.661 -0.467 10.945 1.00 0.21 C ATOM 2035 CG HIS A 121 -4.874 -0.114 12.382 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -4.672 -1.002 13.418 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.270 1.046 12.953 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -4.936 -0.401 14.566 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.300 0.842 14.311 1.00 0.29 N ATOM 0 H HIS A 121 -6.394 -2.299 10.245 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.413 0.644 10.390 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.343 -1.507 10.878 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -3.849 0.141 10.546 1.00 0.21 H new ATOM 0 HD2 HIS A 121 -5.517 1.962 12.437 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -4.866 -0.851 15.545 1.00 0.32 H new ATOM 0 HE2 HIS A 121 -5.561 1.538 15.009 1.00 0.29 H new ATOM 2048 N ILE A 122 -5.786 1.033 8.047 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.452 1.293 6.658 1.00 0.08 C ATOM 2050 C ILE A 122 -4.685 2.601 6.517 1.00 0.08 C ATOM 2051 O ILE A 122 -4.880 3.534 7.295 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.715 1.330 5.777 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.330 1.274 4.303 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.546 2.571 6.068 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.460 0.823 3.407 1.00 0.12 C ATOM 0 H ILE A 122 -6.247 1.808 8.524 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.817 0.475 6.319 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.324 0.457 6.013 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -5.995 2.261 3.984 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.486 0.596 4.181 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.432 2.573 5.433 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.850 2.568 7.115 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -6.952 3.462 5.865 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.119 0.805 2.372 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.780 -0.177 3.701 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.297 1.515 3.501 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.811 2.662 5.522 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.010 3.851 5.288 1.00 0.08 C ATOM 2069 C ILE A 123 -3.517 4.637 4.091 1.00 0.08 C ATOM 2070 O ILE A 123 -3.476 4.163 2.956 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.531 3.491 5.074 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.010 2.736 6.291 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.703 4.745 4.823 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.409 2.244 6.141 1.00 0.10 C ATOM 0 H ILE A 123 -3.640 1.901 4.865 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.099 4.473 6.178 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.444 2.852 4.195 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.069 3.387 7.163 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.662 1.884 6.485 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.341 4.468 4.674 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.074 5.254 3.933 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.783 5.411 5.682 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.709 1.717 7.047 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.471 1.567 5.289 1.00 0.10 H new ATOM 0 HD13 ILE A 123 1.073 3.093 5.979 1.00 0.10 H new ATOM 2086 N LEU A 124 -3.995 5.844 4.356 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.507 6.707 3.305 1.00 0.09 C ATOM 2088 C LEU A 124 -3.393 7.591 2.762 1.00 0.09 C ATOM 2089 O LEU A 124 -2.675 8.237 3.525 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.651 7.569 3.840 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.778 6.793 4.524 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.802 7.751 5.113 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.442 5.838 3.543 1.00 0.13 C ATOM 0 H LEU A 124 -4.038 6.247 5.292 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.887 6.084 2.495 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.243 8.289 4.549 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.073 8.140 3.013 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.348 6.206 5.336 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.597 7.182 5.596 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.318 8.394 5.848 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.226 8.364 4.318 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.241 5.295 4.048 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.858 6.404 2.710 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.703 5.130 3.168 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.253 7.617 1.444 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.218 8.418 0.813 1.00 0.11 C ATOM 2107 C ILE A 125 -2.821 9.546 -0.012 1.00 0.12 C ATOM 2108 O ILE A 125 -3.927 9.433 -0.538 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.302 7.557 -0.088 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.575 6.503 0.746 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.292 8.423 -0.833 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.424 5.295 1.074 1.00 0.11 C ATOM 0 H ILE A 125 -3.841 7.095 0.795 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.617 8.845 1.616 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.930 7.056 -0.825 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.314 6.176 0.207 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.234 6.960 1.675 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.338 7.791 -1.458 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.821 9.141 -1.460 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.330 8.957 -0.114 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.841 4.591 1.668 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.300 5.609 1.641 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.744 4.813 0.150 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.071 10.630 -0.109 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.491 11.797 -0.861 1.00 0.14 C ATOM 2126 C ALA A 126 -1.271 12.553 -1.362 1.00 0.13 C ATOM 2127 O ALA A 126 -0.210 12.511 -0.742 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.363 12.695 -0.002 1.00 0.17 C ATOM 0 H ALA A 126 -1.156 10.725 0.331 1.00 0.12 H new ATOM 0 HA ALA A 126 -3.080 11.474 -1.719 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.670 13.566 -0.581 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.247 12.144 0.320 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.800 13.021 0.872 1.00 0.17 H new ATOM 2134 N SER A 127 -1.417 13.235 -2.484 1.00 0.19 N ATOM 2135 CA SER A 127 -0.310 13.988 -3.051 1.00 0.19 C ATOM 2136 C SER A 127 -0.682 15.447 -3.265 1.00 0.26 C ATOM 2137 O SER A 127 -1.842 15.775 -3.513 1.00 0.28 O ATOM 2138 CB SER A 127 0.140 13.360 -4.370 1.00 0.23 C ATOM 2139 OG SER A 127 1.197 14.099 -4.954 1.00 0.27 O ATOM 0 H SER A 127 -2.284 13.284 -3.018 1.00 0.19 H new ATOM 0 HA SER A 127 0.515 13.952 -2.340 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.463 12.334 -4.196 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.702 13.316 -5.061 1.00 0.23 H new ATOM 0 HG SER A 127 1.467 13.675 -5.795 1.00 0.27 H new