USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=24 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 96 TYR OH : rot -30:sc= -2.45! USER MOD Set 1.2: A 111 GLN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 103 GLN : amide:sc= 0.755 K(o=-1.3,f=-5.1) USER MOD Set 2.2: A 105 ASN : amide:sc= -2.01! C(o=-1.3!,f=-4.6!) USER MOD Single : A 9 TYR OH : rot -87:sc= 0.178 USER MOD Single : A 12 TYR OH : rot 30:sc= -2.23 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.908 USER MOD Single : A 21 HIS : no HD1:sc= -4.2 K(o=-4.2,f=-6!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.137 F(o=-0.66,f=-0.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6) 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 -29:sc= 1.14 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+ -175:sc= -0.845 (180deg=-0.921) USER MOD Single : A 52 SER OG : rot 68:sc= 0.638 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0635) USER MOD Single : A 59 GLN : amide:sc= -3.23 K(o=-3.2,f=-9.1!) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0575 (180deg=-0.333) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 148:sc= -0.755! USER MOD Single : A 68 ASN :FLIP amide:sc= -0.633! F(o=-1.5,f=-0.63!) USER MOD Single : A 71 SER OG : rot -131:sc= 0.0978 USER MOD Single : A 83 HIS : no HD1:sc= -2.75! C(o=-2.7!,f=-11!) USER MOD Single : A 87 THR OG1 : rot -48:sc= -2.53 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0309 (180deg=-0.347) USER MOD Single : A 94 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.7!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -158:sc= -0.752! USER MOD Single : A 119 GLN : amide:sc= -1.47 K(o=-1.5,f=-4.3!) USER MOD Single : A 121 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-2.1!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.124 -8.898 -1.820 1.00 0.35 N ATOM 147 CA ILE A 7 11.026 -7.988 -2.098 1.00 0.28 C ATOM 148 C ILE A 7 10.291 -7.596 -0.825 1.00 0.24 C ATOM 149 O ILE A 7 10.015 -8.434 0.034 1.00 0.31 O ATOM 150 CB ILE A 7 10.020 -8.610 -3.083 1.00 0.29 C ATOM 151 CG1 ILE A 7 10.725 -9.011 -4.377 1.00 0.36 C ATOM 152 CG2 ILE A 7 8.887 -7.638 -3.372 1.00 0.27 C ATOM 153 CD1 ILE A 7 9.785 -9.557 -5.428 1.00 0.43 C ATOM 0 HA ILE A 7 11.465 -7.097 -2.546 1.00 0.28 H new ATOM 0 HB ILE A 7 9.596 -9.505 -2.628 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.247 -8.144 -4.782 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.482 -9.762 -4.152 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.185 -8.094 -4.070 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.370 -7.396 -2.444 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.293 -6.726 -3.810 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.352 -9.822 -6.321 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.282 -10.443 -5.041 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.043 -8.800 -5.681 1.00 0.43 H new ATOM 165 N ASP A 8 9.977 -6.314 -0.718 1.00 0.19 N ATOM 166 CA ASP A 8 9.262 -5.791 0.434 1.00 0.16 C ATOM 167 C ASP A 8 7.953 -5.153 -0.017 1.00 0.14 C ATOM 168 O ASP A 8 7.939 -4.037 -0.537 1.00 0.14 O ATOM 169 CB ASP A 8 10.123 -4.770 1.175 1.00 0.19 C ATOM 170 CG ASP A 8 11.406 -5.376 1.709 1.00 1.13 C ATOM 171 OD1 ASP A 8 11.363 -6.007 2.785 1.00 1.06 O ATOM 172 OD2 ASP A 8 12.457 -5.219 1.050 1.00 2.04 O ATOM 0 H ASP A 8 10.209 -5.613 -1.421 1.00 0.19 H new ATOM 0 HA ASP A 8 9.039 -6.612 1.115 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.365 -3.947 0.503 1.00 0.19 H new ATOM 0 HB3 ASP A 8 9.552 -4.349 2.002 1.00 0.19 H new ATOM 177 N TYR A 9 6.856 -5.874 0.185 1.00 0.12 N ATOM 178 CA TYR A 9 5.539 -5.399 -0.212 1.00 0.12 C ATOM 179 C TYR A 9 5.283 -3.992 0.304 1.00 0.11 C ATOM 180 O TYR A 9 4.730 -3.154 -0.408 1.00 0.12 O ATOM 181 CB TYR A 9 4.464 -6.354 0.303 1.00 0.14 C ATOM 182 CG TYR A 9 4.788 -7.803 0.042 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.171 -8.233 -1.219 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.702 -8.744 1.060 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.459 -9.560 -1.464 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.990 -10.074 0.827 1.00 0.27 C ATOM 187 CZ TYR A 9 5.405 -10.470 -0.438 1.00 0.23 C ATOM 188 OH TYR A 9 5.652 -11.804 -0.675 1.00 0.27 O ATOM 0 H TYR A 9 6.855 -6.795 0.624 1.00 0.12 H new ATOM 0 HA TYR A 9 5.501 -5.369 -1.301 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.336 -6.204 1.375 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.512 -6.110 -0.169 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.245 -7.517 -2.024 1.00 0.15 H new ATOM 0 HD2 TYR A 9 4.405 -8.430 2.050 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.726 -9.882 -2.460 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.894 -10.800 1.621 1.00 0.27 H new ATOM 0 HH TYR A 9 4.821 -12.248 -0.945 1.00 0.27 H new ATOM 198 N GLY A 10 5.692 -3.730 1.537 1.00 0.10 N ATOM 199 CA GLY A 10 5.488 -2.416 2.100 1.00 0.11 C ATOM 200 C GLY A 10 6.129 -1.351 1.243 1.00 0.10 C ATOM 201 O GLY A 10 5.453 -0.454 0.744 1.00 0.12 O ATOM 0 H GLY A 10 6.157 -4.399 2.151 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.420 -2.219 2.192 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.907 -2.379 3.105 1.00 0.11 H new ATOM 205 N LEU A 11 7.429 -1.477 1.034 1.00 0.10 N ATOM 206 CA LEU A 11 8.163 -0.525 0.220 1.00 0.11 C ATOM 207 C LEU A 11 7.550 -0.453 -1.165 1.00 0.11 C ATOM 208 O LEU A 11 7.373 0.628 -1.729 1.00 0.16 O ATOM 209 CB LEU A 11 9.621 -0.948 0.118 1.00 0.13 C ATOM 210 CG LEU A 11 10.529 0.036 -0.610 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.566 1.372 0.116 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.924 -0.545 -0.740 1.00 0.23 C ATOM 0 H LEU A 11 7.998 -2.231 1.418 1.00 0.10 H new ATOM 0 HA LEU A 11 8.109 0.459 0.686 1.00 0.11 H new ATOM 0 HB2 LEU A 11 10.010 -1.102 1.125 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.670 -1.910 -0.393 1.00 0.13 H new ATOM 0 HG LEU A 11 10.129 0.209 -1.609 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.220 2.060 -0.420 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.560 1.789 0.162 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.945 1.226 1.128 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.567 0.165 -1.261 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.330 -0.741 0.252 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.879 -1.476 -1.304 1.00 0.23 H new ATOM 224 N TYR A 12 7.226 -1.619 -1.706 1.00 0.09 N ATOM 225 CA TYR A 12 6.619 -1.703 -3.020 1.00 0.09 C ATOM 226 C TYR A 12 5.340 -0.891 -3.046 1.00 0.09 C ATOM 227 O TYR A 12 5.109 -0.098 -3.958 1.00 0.12 O ATOM 228 CB TYR A 12 6.329 -3.157 -3.374 1.00 0.09 C ATOM 229 CG TYR A 12 5.772 -3.337 -4.763 1.00 0.10 C ATOM 230 CD1 TYR A 12 6.151 -2.491 -5.796 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.871 -4.352 -5.041 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.645 -2.652 -7.069 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.360 -4.522 -6.310 1.00 0.12 C ATOM 234 CZ TYR A 12 4.750 -3.668 -7.323 1.00 0.15 C ATOM 235 OH TYR A 12 4.246 -3.832 -8.592 1.00 0.18 O ATOM 0 H TYR A 12 7.375 -2.520 -1.251 1.00 0.09 H new ATOM 0 HA TYR A 12 7.311 -1.298 -3.758 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.248 -3.736 -3.282 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.622 -3.565 -2.652 1.00 0.09 H new ATOM 0 HD1 TYR A 12 6.853 -1.694 -5.600 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.564 -5.021 -4.251 1.00 0.10 H new ATOM 0 HE1 TYR A 12 5.949 -1.985 -7.862 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.659 -5.318 -6.511 1.00 0.12 H new ATOM 0 HH TYR A 12 4.907 -3.528 -9.248 1.00 0.18 H new ATOM 245 N ALA A 13 4.511 -1.092 -2.031 1.00 0.10 N ATOM 246 CA ALA A 13 3.264 -0.362 -1.922 1.00 0.12 C ATOM 247 C ALA A 13 3.543 1.129 -1.939 1.00 0.12 C ATOM 248 O ALA A 13 2.788 1.911 -2.515 1.00 0.13 O ATOM 249 CB ALA A 13 2.532 -0.753 -0.653 1.00 0.13 C ATOM 0 H ALA A 13 4.683 -1.754 -1.274 1.00 0.10 H new ATOM 0 HA ALA A 13 2.628 -0.612 -2.771 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.597 -0.196 -0.586 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.317 -1.821 -0.671 1.00 0.13 H new ATOM 0 HB3 ALA A 13 3.154 -0.523 0.212 1.00 0.13 H new ATOM 255 N LEU A 14 4.645 1.517 -1.304 1.00 0.11 N ATOM 256 CA LEU A 14 5.040 2.911 -1.263 1.00 0.11 C ATOM 257 C LEU A 14 5.337 3.388 -2.674 1.00 0.12 C ATOM 258 O LEU A 14 4.875 4.444 -3.099 1.00 0.14 O ATOM 259 CB LEU A 14 6.277 3.094 -0.382 1.00 0.12 C ATOM 260 CG LEU A 14 6.261 4.328 0.524 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.665 4.649 1.005 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.659 5.528 -0.194 1.00 0.10 C ATOM 0 H LEU A 14 5.276 0.883 -0.813 1.00 0.11 H new ATOM 0 HA LEU A 14 4.226 3.499 -0.839 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.392 2.208 0.242 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.155 3.148 -1.025 1.00 0.12 H new ATOM 0 HG LEU A 14 5.636 4.104 1.389 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.637 5.529 1.648 1.00 0.11 H new ATOM 0 HD12 LEU A 14 8.060 3.802 1.566 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.307 4.847 0.147 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.661 6.390 0.473 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.250 5.755 -1.081 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.635 5.299 -0.489 1.00 0.10 H new ATOM 274 N GLU A 15 6.122 2.592 -3.391 1.00 0.11 N ATOM 275 CA GLU A 15 6.476 2.896 -4.768 1.00 0.13 C ATOM 276 C GLU A 15 5.220 3.061 -5.607 1.00 0.13 C ATOM 277 O GLU A 15 5.060 4.040 -6.328 1.00 0.15 O ATOM 278 CB GLU A 15 7.322 1.770 -5.355 1.00 0.14 C ATOM 279 CG GLU A 15 8.667 1.589 -4.680 1.00 0.16 C ATOM 280 CD GLU A 15 9.336 0.283 -5.065 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.884 0.204 -6.184 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.318 -0.658 -4.245 1.00 0.35 O ATOM 0 H GLU A 15 6.527 1.726 -3.036 1.00 0.11 H new ATOM 0 HA GLU A 15 7.047 3.824 -4.779 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.764 0.836 -5.285 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.483 1.966 -6.415 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.319 2.421 -4.947 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.535 1.622 -3.599 1.00 0.16 H new ATOM 289 N ILE A 16 4.334 2.082 -5.500 1.00 0.11 N ATOM 290 CA ILE A 16 3.084 2.089 -6.241 1.00 0.12 C ATOM 291 C ILE A 16 2.274 3.331 -5.917 1.00 0.11 C ATOM 292 O ILE A 16 1.790 4.025 -6.811 1.00 0.14 O ATOM 293 CB ILE A 16 2.255 0.842 -5.905 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.057 -0.417 -6.216 1.00 0.13 C ATOM 295 CG2 ILE A 16 0.943 0.851 -6.672 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.504 -1.656 -5.556 1.00 0.25 C ATOM 0 H ILE A 16 4.461 1.266 -4.901 1.00 0.11 H new ATOM 0 HA ILE A 16 3.325 2.088 -7.304 1.00 0.12 H new ATOM 0 HB ILE A 16 2.022 0.850 -4.840 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.079 -0.568 -7.295 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.088 -0.271 -5.893 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.369 -0.041 -6.421 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.371 1.739 -6.403 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.147 0.861 -7.743 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.122 -2.515 -5.819 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.507 -1.524 -4.474 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.483 -1.825 -5.898 1.00 0.25 H new ATOM 308 N LEU A 17 2.129 3.602 -4.629 1.00 0.10 N ATOM 309 CA LEU A 17 1.385 4.762 -4.179 1.00 0.10 C ATOM 310 C LEU A 17 2.120 6.028 -4.575 1.00 0.11 C ATOM 311 O LEU A 17 1.511 7.025 -4.958 1.00 0.16 O ATOM 312 CB LEU A 17 1.198 4.703 -2.669 1.00 0.10 C ATOM 313 CG LEU A 17 0.403 3.496 -2.184 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.636 3.267 -0.702 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.074 3.690 -2.482 1.00 0.12 C ATOM 0 H LEU A 17 2.518 3.032 -3.878 1.00 0.10 H new ATOM 0 HA LEU A 17 0.402 4.767 -4.651 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.178 4.693 -2.193 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.693 5.612 -2.341 1.00 0.10 H new ATOM 0 HG LEU A 17 0.746 2.609 -2.717 1.00 0.10 H new ATOM 0 HD11 LEU A 17 0.061 2.402 -0.373 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.696 3.087 -0.524 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.318 4.148 -0.143 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.633 2.822 -2.132 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.434 4.584 -1.972 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.216 3.804 -3.557 1.00 0.12 H new ATOM 327 N ALA A 18 3.442 5.973 -4.490 1.00 0.08 N ATOM 328 CA ALA A 18 4.269 7.108 -4.852 1.00 0.10 C ATOM 329 C ALA A 18 4.155 7.361 -6.345 1.00 0.12 C ATOM 330 O ALA A 18 4.006 8.495 -6.793 1.00 0.14 O ATOM 331 CB ALA A 18 5.718 6.863 -4.460 1.00 0.11 C ATOM 0 H ALA A 18 3.961 5.154 -4.174 1.00 0.08 H new ATOM 0 HA ALA A 18 3.921 7.989 -4.313 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.322 7.726 -4.740 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.783 6.709 -3.383 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.090 5.978 -4.976 1.00 0.11 H new ATOM 337 N GLN A 19 4.215 6.283 -7.107 1.00 0.14 N ATOM 338 CA GLN A 19 4.105 6.364 -8.551 1.00 0.16 C ATOM 339 C GLN A 19 2.663 6.630 -8.948 1.00 0.16 C ATOM 340 O GLN A 19 2.393 7.201 -10.004 1.00 0.18 O ATOM 341 CB GLN A 19 4.605 5.076 -9.194 1.00 0.20 C ATOM 342 CG GLN A 19 6.100 4.871 -9.042 1.00 0.23 C ATOM 343 CD GLN A 19 6.658 3.862 -10.029 1.00 0.32 C ATOM 344 OE1 GLN A 19 7.036 4.215 -11.146 1.00 0.80 O ATOM 345 NE2 GLN A 19 6.720 2.600 -9.618 1.00 0.40 N ATOM 0 H GLN A 19 4.340 5.337 -6.746 1.00 0.14 H new ATOM 0 HA GLN A 19 4.724 7.188 -8.906 1.00 0.16 H new ATOM 0 HB2 GLN A 19 4.082 4.229 -8.749 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.352 5.086 -10.254 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.609 5.825 -9.178 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.315 4.537 -8.027 1.00 0.23 H new ATOM 0 HE21 GLN A 19 6.395 2.351 -8.683 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.092 1.880 -10.237 1.00 0.40 H new ATOM 354 N TYR A 20 1.739 6.208 -8.090 1.00 0.16 N ATOM 355 CA TYR A 20 0.326 6.431 -8.335 1.00 0.17 C ATOM 356 C TYR A 20 0.051 7.924 -8.303 1.00 0.16 C ATOM 357 O TYR A 20 -0.801 8.437 -9.030 1.00 0.17 O ATOM 358 CB TYR A 20 -0.514 5.720 -7.278 1.00 0.19 C ATOM 359 CG TYR A 20 -1.985 6.035 -7.367 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.811 5.353 -8.251 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.548 7.017 -6.565 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.158 5.642 -8.333 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.893 7.313 -6.641 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.696 6.623 -7.525 1.00 0.30 C ATOM 365 OH TYR A 20 -6.038 6.916 -7.603 1.00 0.36 O ATOM 0 H TYR A 20 1.946 5.712 -7.223 1.00 0.16 H new ATOM 0 HA TYR A 20 0.058 6.029 -9.312 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.374 4.644 -7.378 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.150 5.998 -6.289 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.393 4.585 -8.884 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -1.923 7.558 -5.870 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.788 5.103 -9.026 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.316 8.082 -6.011 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.255 7.629 -6.967 1.00 0.36 H new ATOM 375 N HIS A 21 0.794 8.611 -7.444 1.00 0.14 N ATOM 376 CA HIS A 21 0.678 10.051 -7.298 1.00 0.15 C ATOM 377 C HIS A 21 1.706 10.777 -8.166 1.00 0.16 C ATOM 378 O HIS A 21 1.710 12.006 -8.233 1.00 0.20 O ATOM 379 CB HIS A 21 0.863 10.440 -5.836 1.00 0.18 C ATOM 380 CG HIS A 21 -0.350 10.189 -5.000 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.366 11.109 -4.923 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.668 9.113 -4.241 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.276 10.577 -4.127 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.897 9.367 -3.688 1.00 0.23 N ATOM 0 H HIS A 21 1.490 8.185 -6.833 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.317 10.349 -7.629 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.703 9.882 -5.422 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.123 11.497 -5.778 1.00 0.18 H new ATOM 0 HD2 HIS A 21 -0.069 8.226 -4.099 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.207 11.056 -3.863 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.422 8.754 -3.064 1.00 0.23 H new ATOM 392 N ASN A 22 2.578 10.011 -8.825 1.00 0.15 N ATOM 393 CA ASN A 22 3.604 10.582 -9.686 1.00 0.18 C ATOM 394 C ASN A 22 4.688 11.244 -8.854 1.00 0.19 C ATOM 395 O ASN A 22 5.328 12.202 -9.288 1.00 0.21 O ATOM 396 CB ASN A 22 2.993 11.596 -10.653 1.00 0.20 C ATOM 397 CG ASN A 22 1.766 11.060 -11.364 1.00 0.87 C ATOM 398 OD1 ASN A 22 1.763 9.763 -11.651 1.00 1.35 O flip ATOM 399 ND2 ASN A 22 0.832 11.804 -11.659 1.00 1.28 N flip ATOM 0 H ASN A 22 2.590 8.992 -8.776 1.00 0.15 H new ATOM 0 HA ASN A 22 4.050 9.774 -10.265 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.725 12.499 -10.105 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.740 11.883 -11.393 1.00 0.20 H new ATOM 0 HD21 ASN A 22 0.874 12.795 -11.420 1.00 1.28 H new ATOM 0 HD22 ASN A 22 0.015 11.430 -12.142 1.00 1.28 H new ATOM 406 N VAL A 23 4.890 10.719 -7.652 1.00 0.19 N ATOM 407 CA VAL A 23 5.893 11.248 -6.747 1.00 0.22 C ATOM 408 C VAL A 23 7.104 10.323 -6.689 1.00 0.25 C ATOM 409 O VAL A 23 6.969 9.101 -6.630 1.00 0.35 O ATOM 410 CB VAL A 23 5.313 11.448 -5.333 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.642 10.182 -4.846 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.391 11.890 -4.359 1.00 0.26 C ATOM 0 H VAL A 23 4.368 9.924 -7.283 1.00 0.19 H new ATOM 0 HA VAL A 23 6.209 12.219 -7.130 1.00 0.22 H new ATOM 0 HB VAL A 23 4.562 12.237 -5.387 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.240 10.345 -3.846 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.832 9.916 -5.524 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.371 9.372 -4.816 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.954 12.024 -3.369 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.172 11.131 -4.312 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.821 12.833 -4.696 1.00 0.26 H new ATOM 422 N SER A 24 8.285 10.924 -6.707 1.00 0.22 N ATOM 423 CA SER A 24 9.532 10.173 -6.667 1.00 0.25 C ATOM 424 C SER A 24 9.553 9.185 -5.509 1.00 0.27 C ATOM 425 O SER A 24 8.805 9.321 -4.542 1.00 0.49 O ATOM 426 CB SER A 24 10.717 11.129 -6.547 1.00 0.35 C ATOM 427 OG SER A 24 10.785 12.003 -7.660 1.00 0.82 O ATOM 0 H SER A 24 8.406 11.936 -6.749 1.00 0.22 H new ATOM 0 HA SER A 24 9.608 9.609 -7.597 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.627 11.711 -5.630 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.642 10.558 -6.473 1.00 0.35 H new ATOM 0 HG SER A 24 11.551 12.605 -7.557 1.00 0.82 H new ATOM 433 N VAL A 25 10.423 8.191 -5.625 1.00 0.20 N ATOM 434 CA VAL A 25 10.574 7.170 -4.603 1.00 0.17 C ATOM 435 C VAL A 25 11.779 6.294 -4.902 1.00 0.18 C ATOM 436 O VAL A 25 11.828 5.620 -5.930 1.00 0.25 O ATOM 437 CB VAL A 25 9.323 6.281 -4.491 1.00 0.13 C ATOM 438 CG1 VAL A 25 9.003 5.637 -5.829 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.512 5.219 -3.414 1.00 0.15 C ATOM 0 H VAL A 25 11.041 8.072 -6.428 1.00 0.20 H new ATOM 0 HA VAL A 25 10.716 7.687 -3.654 1.00 0.17 H new ATOM 0 HB VAL A 25 8.481 6.911 -4.204 1.00 0.13 H new ATOM 0 HG11 VAL A 25 8.115 5.012 -5.729 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.819 6.413 -6.572 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.845 5.023 -6.148 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.616 4.601 -3.351 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.368 4.593 -3.667 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.688 5.703 -2.453 1.00 0.15 H new ATOM 449 N ASN A 26 12.756 6.323 -4.008 1.00 0.15 N ATOM 450 CA ASN A 26 13.953 5.523 -4.174 1.00 0.15 C ATOM 451 C ASN A 26 13.989 4.409 -3.139 1.00 0.16 C ATOM 452 O ASN A 26 14.574 4.560 -2.066 1.00 0.17 O ATOM 453 CB ASN A 26 15.195 6.399 -4.059 1.00 0.16 C ATOM 454 CG ASN A 26 16.470 5.626 -4.306 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.459 4.567 -4.933 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.580 6.164 -3.827 1.00 0.20 N ATOM 0 H ASN A 26 12.741 6.892 -3.162 1.00 0.15 H new ATOM 0 HA ASN A 26 13.939 5.073 -5.167 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.126 7.219 -4.774 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.231 6.845 -3.065 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.476 5.699 -3.972 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.540 7.044 -3.313 1.00 0.20 H new ATOM 463 N PRO A 27 13.358 3.270 -3.460 1.00 0.17 N ATOM 464 CA PRO A 27 13.306 2.113 -2.570 1.00 0.19 C ATOM 465 C PRO A 27 14.643 1.853 -1.899 1.00 0.20 C ATOM 466 O PRO A 27 14.703 1.368 -0.771 1.00 0.25 O ATOM 467 CB PRO A 27 12.951 0.982 -3.525 1.00 0.23 C ATOM 468 CG PRO A 27 12.092 1.635 -4.548 1.00 0.30 C ATOM 469 CD PRO A 27 12.646 3.018 -4.727 1.00 0.19 C ATOM 0 HA PRO A 27 12.600 2.239 -1.749 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.842 0.543 -3.973 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.422 0.178 -3.013 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.113 1.081 -5.487 1.00 0.30 H new ATOM 0 HG3 PRO A 27 11.053 1.670 -4.221 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.318 3.073 -5.583 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.855 3.749 -4.895 1.00 0.19 H new ATOM 477 N GLU A 28 15.711 2.187 -2.602 1.00 0.18 N ATOM 478 CA GLU A 28 17.052 2.000 -2.076 1.00 0.19 C ATOM 479 C GLU A 28 17.292 2.957 -0.923 1.00 0.19 C ATOM 480 O GLU A 28 17.809 2.573 0.125 1.00 0.21 O ATOM 481 CB GLU A 28 18.088 2.243 -3.172 1.00 0.21 C ATOM 482 CG GLU A 28 17.833 1.450 -4.439 1.00 0.23 C ATOM 483 CD GLU A 28 18.864 1.726 -5.515 1.00 0.72 C ATOM 484 OE1 GLU A 28 19.894 1.020 -5.545 1.00 0.70 O ATOM 485 OE2 GLU A 28 18.641 2.646 -6.329 1.00 1.24 O ATOM 0 H GLU A 28 15.676 2.589 -3.539 1.00 0.18 H new ATOM 0 HA GLU A 28 17.149 0.975 -1.719 1.00 0.19 H new ATOM 0 HB2 GLU A 28 18.103 3.305 -3.416 1.00 0.21 H new ATOM 0 HB3 GLU A 28 19.076 1.990 -2.788 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.834 0.386 -4.204 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.841 1.691 -4.821 1.00 0.23 H new ATOM 492 N GLU A 29 16.901 4.205 -1.130 1.00 0.18 N ATOM 493 CA GLU A 29 17.060 5.237 -0.121 1.00 0.18 C ATOM 494 C GLU A 29 16.045 5.048 0.994 1.00 0.16 C ATOM 495 O GLU A 29 16.363 5.202 2.173 1.00 0.20 O ATOM 496 CB GLU A 29 16.899 6.617 -0.751 1.00 0.20 C ATOM 497 CG GLU A 29 16.906 7.750 0.253 1.00 0.22 C ATOM 498 CD GLU A 29 16.710 9.106 -0.398 1.00 1.02 C ATOM 499 OE1 GLU A 29 15.545 9.528 -0.551 1.00 1.85 O ATOM 500 OE2 GLU A 29 17.722 9.744 -0.756 1.00 0.95 O ATOM 0 H GLU A 29 16.468 4.528 -1.995 1.00 0.18 H new ATOM 0 HA GLU A 29 18.061 5.158 0.303 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.704 6.775 -1.469 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.964 6.644 -1.310 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.117 7.586 0.987 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.852 7.744 0.795 1.00 0.22 H new ATOM 507 N ILE A 30 14.820 4.709 0.613 1.00 0.14 N ATOM 508 CA ILE A 30 13.764 4.490 1.587 1.00 0.14 C ATOM 509 C ILE A 30 14.196 3.432 2.586 1.00 0.14 C ATOM 510 O ILE A 30 14.140 3.637 3.797 1.00 0.21 O ATOM 511 CB ILE A 30 12.456 4.037 0.911 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.984 5.085 -0.094 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.381 3.771 1.955 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.894 6.478 0.486 1.00 0.28 C ATOM 0 H ILE A 30 14.536 4.581 -0.358 1.00 0.14 H new ATOM 0 HA ILE A 30 13.581 5.437 2.095 1.00 0.14 H new ATOM 0 HB ILE A 30 12.648 3.108 0.373 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.668 5.097 -0.943 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.005 4.795 -0.477 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.464 3.452 1.460 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.719 2.987 2.633 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.190 4.683 2.521 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.553 7.171 -0.283 1.00 0.28 H new ATOM 0 HD12 ILE A 30 11.188 6.481 1.317 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.876 6.788 0.843 1.00 0.28 H new ATOM 526 N LYS A 31 14.637 2.299 2.067 1.00 0.15 N ATOM 527 CA LYS A 31 15.090 1.213 2.912 1.00 0.20 C ATOM 528 C LYS A 31 16.320 1.632 3.696 1.00 0.21 C ATOM 529 O LYS A 31 16.552 1.177 4.814 1.00 0.26 O ATOM 530 CB LYS A 31 15.409 -0.019 2.073 1.00 0.26 C ATOM 531 CG LYS A 31 14.181 -0.669 1.470 1.00 0.80 C ATOM 532 CD LYS A 31 14.396 -2.156 1.237 1.00 0.82 C ATOM 533 CE LYS A 31 15.645 -2.415 0.410 1.00 0.65 C ATOM 534 NZ LYS A 31 15.836 -3.866 0.129 1.00 1.35 N ATOM 0 H LYS A 31 14.690 2.109 1.066 1.00 0.15 H new ATOM 0 HA LYS A 31 14.290 0.967 3.610 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.092 0.263 1.272 1.00 0.26 H new ATOM 0 HB3 LYS A 31 15.929 -0.748 2.694 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.328 -0.523 2.133 1.00 0.80 H new ATOM 0 HG3 LYS A 31 13.937 -0.183 0.525 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.481 -2.667 2.196 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.528 -2.575 0.728 1.00 0.82 H new ATOM 0 HE2 LYS A 31 15.577 -1.869 -0.531 1.00 0.65 H new ATOM 0 HE3 LYS A 31 16.517 -2.030 0.939 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.698 -3.999 -0.437 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 15.927 -4.384 1.026 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 15.016 -4.228 -0.398 1.00 1.35 H new ATOM 548 N HIS A 32 17.102 2.508 3.090 1.00 0.19 N ATOM 549 CA HIS A 32 18.321 3.004 3.706 1.00 0.23 C ATOM 550 C HIS A 32 18.002 3.902 4.889 1.00 0.23 C ATOM 551 O HIS A 32 18.789 4.021 5.827 1.00 0.29 O ATOM 552 CB HIS A 32 19.129 3.788 2.676 1.00 0.25 C ATOM 553 CG HIS A 32 20.564 3.964 3.048 1.00 0.32 C ATOM 554 ND1 HIS A 32 21.057 5.109 3.638 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.621 3.130 2.909 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.355 4.972 3.843 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.721 3.780 3.410 1.00 0.44 N ATOM 0 H HIS A 32 16.913 2.893 2.165 1.00 0.19 H new ATOM 0 HA HIS A 32 18.900 2.152 4.063 1.00 0.23 H new ATOM 0 HB2 HIS A 32 19.072 3.276 1.716 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.675 4.770 2.541 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.602 2.138 2.483 1.00 0.38 H new ATOM 0 HE1 HIS A 32 23.006 5.710 4.289 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.668 3.403 3.442 1.00 0.44 H new ATOM 566 N ARG A 33 16.844 4.542 4.828 1.00 0.19 N ATOM 567 CA ARG A 33 16.414 5.453 5.875 1.00 0.21 C ATOM 568 C ARG A 33 15.408 4.818 6.825 1.00 0.21 C ATOM 569 O ARG A 33 15.389 5.130 8.017 1.00 0.27 O ATOM 570 CB ARG A 33 15.783 6.685 5.244 1.00 0.24 C ATOM 571 CG ARG A 33 16.719 7.438 4.322 1.00 0.29 C ATOM 572 CD ARG A 33 16.036 8.647 3.705 1.00 0.36 C ATOM 573 NE ARG A 33 15.568 9.592 4.715 1.00 0.47 N ATOM 574 CZ ARG A 33 15.300 10.868 4.460 1.00 0.64 C ATOM 575 NH1 ARG A 33 15.466 11.351 3.236 1.00 1.13 N ATOM 576 NH2 ARG A 33 14.869 11.664 5.429 1.00 0.71 N ATOM 0 H ARG A 33 16.182 4.445 4.058 1.00 0.19 H new ATOM 0 HA ARG A 33 17.298 5.719 6.455 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.898 6.384 4.683 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.446 7.356 6.034 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.599 7.760 4.879 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.067 6.773 3.532 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.731 9.151 3.033 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.191 8.316 3.101 1.00 0.36 H new ATOM 0 HE ARG A 33 15.440 9.254 5.669 1.00 0.47 H new ATOM 0 HH11 ARG A 33 15.800 10.743 2.489 1.00 1.13 H new ATOM 0 HH12 ARG A 33 15.260 12.331 3.042 1.00 1.13 H new ATOM 0 HH21 ARG A 33 14.743 11.297 6.372 1.00 0.71 H new ATOM 0 HH22 ARG A 33 14.664 12.643 5.231 1.00 0.71 H new ATOM 590 N PHE A 34 14.576 3.929 6.302 1.00 0.17 N ATOM 591 CA PHE A 34 13.532 3.315 7.112 1.00 0.21 C ATOM 592 C PHE A 34 13.691 1.803 7.257 1.00 0.22 C ATOM 593 O PHE A 34 13.358 1.242 8.301 1.00 0.31 O ATOM 594 CB PHE A 34 12.180 3.657 6.497 1.00 0.23 C ATOM 595 CG PHE A 34 11.978 5.138 6.336 1.00 0.21 C ATOM 596 CD1 PHE A 34 11.436 5.895 7.361 1.00 0.29 C ATOM 597 CD2 PHE A 34 12.349 5.776 5.163 1.00 0.21 C ATOM 598 CE1 PHE A 34 11.265 7.258 7.217 1.00 0.29 C ATOM 599 CE2 PHE A 34 12.179 7.137 5.012 1.00 0.24 C ATOM 600 CZ PHE A 34 11.637 7.881 6.041 1.00 0.23 C ATOM 0 H PHE A 34 14.602 3.619 5.331 1.00 0.17 H new ATOM 0 HA PHE A 34 13.610 3.717 8.122 1.00 0.21 H new ATOM 0 HB2 PHE A 34 12.095 3.174 5.523 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.386 3.252 7.124 1.00 0.23 H new ATOM 0 HD1 PHE A 34 11.144 5.414 8.283 1.00 0.29 H new ATOM 0 HD2 PHE A 34 12.777 5.200 4.356 1.00 0.21 H new ATOM 0 HE1 PHE A 34 10.840 7.837 8.024 1.00 0.29 H new ATOM 0 HE2 PHE A 34 12.469 7.619 4.090 1.00 0.24 H new ATOM 0 HZ PHE A 34 11.504 8.947 5.927 1.00 0.23 H new ATOM 610 N ASP A 35 14.192 1.142 6.223 1.00 0.19 N ATOM 611 CA ASP A 35 14.370 -0.306 6.279 1.00 0.22 C ATOM 612 C ASP A 35 15.812 -0.653 6.608 1.00 0.29 C ATOM 613 O ASP A 35 16.341 -1.669 6.158 1.00 0.34 O ATOM 614 CB ASP A 35 13.972 -0.954 4.958 1.00 0.23 C ATOM 615 CG ASP A 35 13.629 -2.421 5.109 1.00 0.28 C ATOM 616 OD1 ASP A 35 14.426 -3.154 5.729 1.00 1.10 O ATOM 617 OD2 ASP A 35 12.565 -2.836 4.607 1.00 0.94 O ATOM 0 H ASP A 35 14.480 1.576 5.346 1.00 0.19 H new ATOM 0 HA ASP A 35 13.723 -0.693 7.066 1.00 0.22 H new ATOM 0 HB2 ASP A 35 13.114 -0.425 4.542 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.789 -0.847 4.245 1.00 0.23 H new ATOM 622 N THR A 36 16.437 0.204 7.399 1.00 0.31 N ATOM 623 CA THR A 36 17.822 0.006 7.801 1.00 0.39 C ATOM 624 C THR A 36 18.039 -1.400 8.346 1.00 0.46 C ATOM 625 O THR A 36 19.152 -1.926 8.315 1.00 0.54 O ATOM 626 CB THR A 36 18.244 1.028 8.867 1.00 0.43 C ATOM 627 OG1 THR A 36 17.505 0.817 10.075 1.00 0.47 O ATOM 628 CG2 THR A 36 18.016 2.446 8.368 1.00 0.39 C ATOM 0 H THR A 36 16.006 1.047 7.777 1.00 0.31 H new ATOM 0 HA THR A 36 18.435 0.145 6.911 1.00 0.39 H new ATOM 0 HB THR A 36 19.307 0.893 9.069 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.784 1.473 10.748 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.321 3.156 9.137 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.605 2.613 7.466 1.00 0.39 H new ATOM 0 HG23 THR A 36 16.959 2.587 8.143 1.00 0.39 H new ATOM 636 N ASP A 37 16.967 -2.003 8.848 1.00 0.45 N ATOM 637 CA ASP A 37 17.037 -3.348 9.397 1.00 0.51 C ATOM 638 C ASP A 37 17.001 -4.396 8.288 1.00 0.50 C ATOM 639 O ASP A 37 17.430 -5.534 8.481 1.00 0.58 O ATOM 640 CB ASP A 37 15.883 -3.577 10.374 1.00 0.51 C ATOM 641 CG ASP A 37 16.073 -2.829 11.679 1.00 1.04 C ATOM 642 OD1 ASP A 37 15.633 -1.664 11.764 1.00 1.71 O ATOM 643 OD2 ASP A 37 16.663 -3.409 12.615 1.00 0.98 O ATOM 0 H ASP A 37 16.040 -1.580 8.885 1.00 0.45 H new ATOM 0 HA ASP A 37 17.983 -3.449 9.929 1.00 0.51 H new ATOM 0 HB2 ASP A 37 14.949 -3.260 9.910 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.791 -4.643 10.580 1.00 0.51 H new ATOM 648 N GLY A 38 16.485 -4.004 7.126 1.00 0.43 N ATOM 649 CA GLY A 38 16.405 -4.918 6.005 1.00 0.46 C ATOM 650 C GLY A 38 15.348 -5.982 6.209 1.00 0.42 C ATOM 651 O GLY A 38 15.401 -7.048 5.595 1.00 0.46 O ATOM 0 H GLY A 38 16.121 -3.069 6.943 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.183 -4.358 5.097 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.374 -5.395 5.857 1.00 0.46 H new ATOM 655 N THR A 39 14.381 -5.688 7.069 1.00 0.35 N ATOM 656 CA THR A 39 13.307 -6.626 7.363 1.00 0.33 C ATOM 657 C THR A 39 11.947 -6.078 6.936 1.00 0.30 C ATOM 658 O THR A 39 10.909 -6.638 7.286 1.00 0.41 O ATOM 659 CB THR A 39 13.259 -6.963 8.865 1.00 0.35 C ATOM 660 OG1 THR A 39 12.178 -7.865 9.132 1.00 0.65 O ATOM 661 CG2 THR A 39 13.089 -5.699 9.697 1.00 0.64 C ATOM 0 H THR A 39 14.319 -4.805 7.576 1.00 0.35 H new ATOM 0 HA THR A 39 13.519 -7.531 6.793 1.00 0.33 H new ATOM 0 HB THR A 39 14.202 -7.437 9.139 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.459 -7.715 8.484 1.00 0.65 H new ATOM 0 HG21 THR A 39 13.058 -5.961 10.755 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.928 -5.028 9.514 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.160 -5.202 9.419 1.00 0.64 H new ATOM 669 N GLY A 40 11.953 -4.985 6.176 1.00 0.22 N ATOM 670 CA GLY A 40 10.710 -4.393 5.728 1.00 0.21 C ATOM 671 C GLY A 40 10.454 -3.050 6.374 1.00 0.20 C ATOM 672 O GLY A 40 11.034 -2.732 7.412 1.00 0.32 O ATOM 0 H GLY A 40 12.796 -4.502 5.865 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.735 -4.275 4.645 1.00 0.21 H new ATOM 0 HA3 GLY A 40 9.885 -5.068 5.956 1.00 0.21 H new ATOM 676 N LEU A 41 9.586 -2.259 5.759 1.00 0.12 N ATOM 677 CA LEU A 41 9.258 -0.943 6.281 1.00 0.10 C ATOM 678 C LEU A 41 8.250 -1.035 7.413 1.00 0.10 C ATOM 679 O LEU A 41 7.234 -1.721 7.300 1.00 0.14 O ATOM 680 CB LEU A 41 8.697 -0.060 5.169 1.00 0.10 C ATOM 681 CG LEU A 41 9.726 0.440 4.160 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.757 1.314 4.848 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.397 -0.728 3.465 1.00 0.14 C ATOM 0 H LEU A 41 9.097 -2.507 4.899 1.00 0.12 H new ATOM 0 HA LEU A 41 10.175 -0.501 6.671 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.929 -0.619 4.635 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.207 0.802 5.622 1.00 0.10 H new ATOM 0 HG LEU A 41 9.213 1.038 3.407 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.485 1.663 4.116 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.261 2.171 5.304 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.267 0.737 5.619 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.128 -0.354 2.748 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.900 -1.351 4.204 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.646 -1.320 2.942 1.00 0.14 H new ATOM 695 N GLY A 42 8.541 -0.344 8.505 1.00 0.09 N ATOM 696 CA GLY A 42 7.639 -0.347 9.634 1.00 0.11 C ATOM 697 C GLY A 42 6.429 0.514 9.362 1.00 0.10 C ATOM 698 O GLY A 42 6.399 1.246 8.377 1.00 0.11 O ATOM 0 H GLY A 42 9.384 0.217 8.628 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.323 -1.368 9.849 1.00 0.11 H new ATOM 0 HA3 GLY A 42 8.158 0.019 10.520 1.00 0.11 H new ATOM 702 N LEU A 43 5.427 0.433 10.219 1.00 0.12 N ATOM 703 CA LEU A 43 4.227 1.226 10.033 1.00 0.12 C ATOM 704 C LEU A 43 4.566 2.710 10.055 1.00 0.11 C ATOM 705 O LEU A 43 4.276 3.441 9.109 1.00 0.12 O ATOM 706 CB LEU A 43 3.196 0.896 11.118 1.00 0.14 C ATOM 707 CG LEU A 43 1.840 1.600 10.980 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.875 2.963 11.649 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.447 1.735 9.515 1.00 0.14 C ATOM 0 H LEU A 43 5.420 -0.168 11.043 1.00 0.12 H new ATOM 0 HA LEU A 43 3.796 0.983 9.062 1.00 0.12 H new ATOM 0 HB2 LEU A 43 3.028 -0.181 11.118 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.621 1.153 12.088 1.00 0.14 H new ATOM 0 HG LEU A 43 1.088 0.989 11.480 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.904 3.447 11.540 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.104 2.843 12.708 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.642 3.579 11.180 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.482 2.237 9.442 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.201 2.320 8.988 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.376 0.745 9.065 1.00 0.14 H new ATOM 721 N THR A 44 5.186 3.144 11.143 1.00 0.11 N ATOM 722 CA THR A 44 5.575 4.538 11.299 1.00 0.12 C ATOM 723 C THR A 44 6.732 4.888 10.374 1.00 0.12 C ATOM 724 O THR A 44 6.855 6.025 9.920 1.00 0.16 O ATOM 725 CB THR A 44 5.978 4.849 12.749 1.00 0.15 C ATOM 726 OG1 THR A 44 4.902 4.525 13.638 1.00 0.18 O ATOM 727 CG2 THR A 44 6.342 6.317 12.902 1.00 0.18 C ATOM 0 H THR A 44 5.431 2.548 11.934 1.00 0.11 H new ATOM 0 HA THR A 44 4.707 5.142 11.036 1.00 0.12 H new ATOM 0 HB THR A 44 6.849 4.244 13.000 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.168 4.725 14.560 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.624 6.516 13.936 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.179 6.555 12.245 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.484 6.934 12.635 1.00 0.18 H new ATOM 735 N SER A 45 7.579 3.903 10.096 1.00 0.11 N ATOM 736 CA SER A 45 8.728 4.110 9.228 1.00 0.13 C ATOM 737 C SER A 45 8.280 4.191 7.776 1.00 0.13 C ATOM 738 O SER A 45 8.846 4.938 6.977 1.00 0.19 O ATOM 739 CB SER A 45 9.742 2.978 9.407 1.00 0.17 C ATOM 740 OG SER A 45 10.026 2.759 10.779 1.00 0.31 O ATOM 0 H SER A 45 7.490 2.954 10.460 1.00 0.11 H new ATOM 0 HA SER A 45 9.206 5.051 9.501 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.352 2.062 8.963 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.662 3.223 8.877 1.00 0.17 H new ATOM 0 HG SER A 45 10.675 2.030 10.866 1.00 0.31 H new ATOM 746 N TRP A 46 7.256 3.414 7.447 1.00 0.10 N ATOM 747 CA TRP A 46 6.708 3.393 6.103 1.00 0.09 C ATOM 748 C TRP A 46 5.965 4.688 5.820 1.00 0.08 C ATOM 749 O TRP A 46 6.106 5.283 4.752 1.00 0.10 O ATOM 750 CB TRP A 46 5.763 2.204 5.942 1.00 0.09 C ATOM 751 CG TRP A 46 5.244 2.053 4.551 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.616 1.113 3.638 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.260 2.872 3.907 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.928 1.298 2.468 1.00 0.12 N ATOM 755 CE2 TRP A 46 4.089 2.367 2.606 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.507 3.980 4.302 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.200 2.929 1.697 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.622 4.539 3.398 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.474 4.012 2.110 1.00 0.09 C ATOM 0 H TRP A 46 6.787 2.787 8.100 1.00 0.10 H new ATOM 0 HA TRP A 46 7.528 3.294 5.391 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.285 1.291 6.230 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.923 2.320 6.626 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.346 0.336 3.811 1.00 0.11 H new ATOM 0 HE1 TRP A 46 5.027 0.728 1.628 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.614 4.392 5.294 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 3.087 2.525 0.702 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 2.035 5.397 3.691 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.772 4.470 1.428 1.00 0.09 H new ATOM 770 N LEU A 47 5.169 5.120 6.792 1.00 0.08 N ATOM 771 CA LEU A 47 4.410 6.353 6.664 1.00 0.08 C ATOM 772 C LEU A 47 5.359 7.524 6.470 1.00 0.08 C ATOM 773 O LEU A 47 5.089 8.440 5.693 1.00 0.11 O ATOM 774 CB LEU A 47 3.542 6.566 7.905 1.00 0.09 C ATOM 775 CG LEU A 47 2.395 5.569 8.069 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.779 5.693 9.452 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.342 5.789 6.993 1.00 0.62 C ATOM 0 H LEU A 47 5.034 4.632 7.677 1.00 0.08 H new ATOM 0 HA LEU A 47 3.757 6.284 5.794 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.178 6.514 8.788 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.126 7.573 7.871 1.00 0.09 H new ATOM 0 HG LEU A 47 2.794 4.560 7.959 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.964 4.976 9.553 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.537 5.489 10.208 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.393 6.703 9.589 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.532 5.071 7.124 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.946 6.801 7.073 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.792 5.652 6.010 1.00 0.62 H new ATOM 789 N LEU A 48 6.472 7.483 7.188 1.00 0.08 N ATOM 790 CA LEU A 48 7.485 8.521 7.096 1.00 0.10 C ATOM 791 C LEU A 48 8.210 8.431 5.761 1.00 0.10 C ATOM 792 O LEU A 48 8.689 9.433 5.231 1.00 0.11 O ATOM 793 CB LEU A 48 8.477 8.378 8.248 1.00 0.12 C ATOM 794 CG LEU A 48 7.896 8.664 9.629 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.792 8.095 10.718 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.708 10.159 9.818 1.00 0.17 C ATOM 0 H LEU A 48 6.696 6.736 7.845 1.00 0.08 H new ATOM 0 HA LEU A 48 7.003 9.496 7.163 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.878 7.364 8.240 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.315 9.054 8.074 1.00 0.12 H new ATOM 0 HG LEU A 48 6.923 8.178 9.704 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.359 8.310 11.695 1.00 0.17 H new ATOM 0 HD12 LEU A 48 8.880 7.016 10.590 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.780 8.550 10.651 1.00 0.17 H new ATOM 0 HD21 LEU A 48 7.293 10.351 10.807 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.671 10.661 9.725 1.00 0.17 H new ATOM 0 HD23 LEU A 48 7.025 10.539 9.058 1.00 0.17 H new ATOM 808 N ALA A 49 8.283 7.217 5.227 1.00 0.10 N ATOM 809 CA ALA A 49 8.938 6.982 3.950 1.00 0.11 C ATOM 810 C ALA A 49 8.209 7.720 2.837 1.00 0.11 C ATOM 811 O ALA A 49 8.824 8.213 1.892 1.00 0.15 O ATOM 812 CB ALA A 49 8.996 5.491 3.654 1.00 0.11 C ATOM 0 H ALA A 49 7.895 6.380 5.662 1.00 0.10 H new ATOM 0 HA ALA A 49 9.958 7.363 4.005 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.489 5.329 2.695 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.557 4.986 4.440 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.984 5.088 3.614 1.00 0.11 H new ATOM 818 N ALA A 50 6.888 7.791 2.961 1.00 0.08 N ATOM 819 CA ALA A 50 6.064 8.479 1.981 1.00 0.08 C ATOM 820 C ALA A 50 6.248 9.981 2.103 1.00 0.10 C ATOM 821 O ALA A 50 6.395 10.686 1.106 1.00 0.13 O ATOM 822 CB ALA A 50 4.603 8.113 2.170 1.00 0.10 C ATOM 0 H ALA A 50 6.366 7.378 3.734 1.00 0.08 H new ATOM 0 HA ALA A 50 6.375 8.167 0.984 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.998 8.636 1.429 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.478 7.037 2.046 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.282 8.403 3.170 1.00 0.10 H new ATOM 828 N LYS A 51 6.240 10.460 3.340 1.00 0.09 N ATOM 829 CA LYS A 51 6.413 11.878 3.605 1.00 0.11 C ATOM 830 C LYS A 51 7.751 12.349 3.057 1.00 0.13 C ATOM 831 O LYS A 51 7.869 13.460 2.540 1.00 0.15 O ATOM 832 CB LYS A 51 6.338 12.153 5.106 1.00 0.14 C ATOM 833 CG LYS A 51 5.036 11.697 5.742 1.00 0.14 C ATOM 834 CD LYS A 51 4.956 12.111 7.203 1.00 0.21 C ATOM 835 CE LYS A 51 3.672 11.624 7.854 1.00 0.61 C ATOM 836 NZ LYS A 51 3.542 10.142 7.788 1.00 1.40 N ATOM 0 H LYS A 51 6.115 9.886 4.174 1.00 0.09 H new ATOM 0 HA LYS A 51 5.611 12.426 3.110 1.00 0.11 H new ATOM 0 HB2 LYS A 51 7.170 11.652 5.601 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.462 13.222 5.278 1.00 0.14 H new ATOM 0 HG2 LYS A 51 4.194 12.122 5.195 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.952 10.613 5.664 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.813 11.709 7.743 1.00 0.21 H new ATOM 0 HD3 LYS A 51 5.013 13.197 7.278 1.00 0.21 H new ATOM 0 HE2 LYS A 51 3.649 11.944 8.896 1.00 0.61 H new ATOM 0 HE3 LYS A 51 2.817 12.086 7.360 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.616 9.858 8.166 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 3.623 9.830 6.799 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 4.296 9.702 8.353 1.00 1.40 H new ATOM 850 N SER A 52 8.758 11.491 3.176 1.00 0.12 N ATOM 851 CA SER A 52 10.089 11.808 2.677 1.00 0.15 C ATOM 852 C SER A 52 10.023 12.128 1.189 1.00 0.14 C ATOM 853 O SER A 52 10.840 12.885 0.666 1.00 0.16 O ATOM 854 CB SER A 52 11.046 10.641 2.921 1.00 0.17 C ATOM 855 OG SER A 52 11.181 10.376 4.307 1.00 1.23 O ATOM 0 H SER A 52 8.677 10.573 3.613 1.00 0.12 H new ATOM 0 HA SER A 52 10.464 12.680 3.214 1.00 0.15 H new ATOM 0 HB2 SER A 52 10.677 9.751 2.411 1.00 0.17 H new ATOM 0 HB3 SER A 52 12.022 10.871 2.494 1.00 0.17 H new ATOM 0 HG SER A 52 10.333 10.032 4.658 1.00 1.23 H new ATOM 861 N LEU A 53 9.038 11.542 0.518 1.00 0.12 N ATOM 862 CA LEU A 53 8.838 11.758 -0.908 1.00 0.12 C ATOM 863 C LEU A 53 7.921 12.950 -1.154 1.00 0.12 C ATOM 864 O LEU A 53 7.440 13.149 -2.266 1.00 0.15 O ATOM 865 CB LEU A 53 8.209 10.516 -1.537 1.00 0.13 C ATOM 866 CG LEU A 53 8.933 9.206 -1.248 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.135 8.033 -1.791 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.328 9.231 -1.846 1.00 0.14 C ATOM 0 H LEU A 53 8.361 10.909 0.944 1.00 0.12 H new ATOM 0 HA LEU A 53 9.810 11.957 -1.359 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.181 10.430 -1.184 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.165 10.658 -2.617 1.00 0.13 H new ATOM 0 HG LEU A 53 9.026 9.087 -0.169 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.663 7.104 -1.578 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.154 8.010 -1.317 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.014 8.143 -2.869 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.833 8.289 -1.631 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.259 9.368 -2.925 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.895 10.054 -1.411 1.00 0.14 H new ATOM 880 N GLU A 54 7.690 13.753 -0.122 1.00 0.12 N ATOM 881 CA GLU A 54 6.795 14.890 -0.244 1.00 0.13 C ATOM 882 C GLU A 54 5.371 14.398 -0.509 1.00 0.11 C ATOM 883 O GLU A 54 4.517 15.152 -0.973 1.00 0.13 O ATOM 884 CB GLU A 54 7.254 15.807 -1.375 1.00 0.17 C ATOM 885 CG GLU A 54 8.717 16.195 -1.278 1.00 0.23 C ATOM 886 CD GLU A 54 9.002 17.102 -0.098 1.00 0.63 C ATOM 887 OE1 GLU A 54 8.912 18.336 -0.262 1.00 0.59 O ATOM 888 OE2 GLU A 54 9.318 16.577 0.991 1.00 1.14 O ATOM 0 H GLU A 54 8.108 13.637 0.801 1.00 0.12 H new ATOM 0 HA GLU A 54 6.811 15.456 0.688 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.080 15.310 -2.329 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.645 16.711 -1.370 1.00 0.17 H new ATOM 0 HG2 GLU A 54 9.323 15.293 -1.193 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.018 16.696 -2.198 1.00 0.23 H new ATOM 895 N LEU A 55 5.132 13.120 -0.206 1.00 0.11 N ATOM 896 CA LEU A 55 3.834 12.501 -0.408 1.00 0.13 C ATOM 897 C LEU A 55 3.050 12.475 0.898 1.00 0.17 C ATOM 898 O LEU A 55 3.628 12.326 1.976 1.00 0.33 O ATOM 899 CB LEU A 55 4.031 11.077 -0.936 1.00 0.20 C ATOM 900 CG LEU A 55 2.758 10.250 -1.103 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.927 10.772 -2.266 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.108 8.784 -1.307 1.00 0.72 C ATOM 0 H LEU A 55 5.835 12.493 0.185 1.00 0.11 H new ATOM 0 HA LEU A 55 3.267 13.082 -1.135 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.535 11.134 -1.901 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.700 10.547 -0.258 1.00 0.20 H new ATOM 0 HG LEU A 55 2.162 10.341 -0.195 1.00 0.38 H new ATOM 0 HD11 LEU A 55 1.025 10.169 -2.368 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.651 11.810 -2.079 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.509 10.712 -3.185 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.192 8.204 -1.425 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.722 8.678 -2.201 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.660 8.418 -0.442 1.00 0.72 H new ATOM 914 N LYS A 56 1.735 12.622 0.801 1.00 0.15 N ATOM 915 CA LYS A 56 0.883 12.619 1.982 1.00 0.16 C ATOM 916 C LYS A 56 0.427 11.207 2.322 1.00 0.16 C ATOM 917 O LYS A 56 -0.033 10.463 1.458 1.00 0.20 O ATOM 918 CB LYS A 56 -0.331 13.523 1.769 1.00 0.18 C ATOM 919 CG LYS A 56 0.020 14.995 1.644 1.00 0.61 C ATOM 920 CD LYS A 56 -1.208 15.835 1.331 1.00 0.62 C ATOM 921 CE LYS A 56 -2.191 15.836 2.489 1.00 1.18 C ATOM 922 NZ LYS A 56 -3.431 16.596 2.164 1.00 1.86 N ATOM 0 H LYS A 56 1.237 12.744 -0.081 1.00 0.15 H new ATOM 0 HA LYS A 56 1.468 13.003 2.818 1.00 0.16 H new ATOM 0 HB2 LYS A 56 -0.856 13.206 0.868 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -1.021 13.392 2.603 1.00 0.18 H new ATOM 0 HG2 LYS A 56 0.473 15.342 2.573 1.00 0.61 H new ATOM 0 HG3 LYS A 56 0.763 15.128 0.858 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -0.904 16.858 1.110 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -1.697 15.448 0.437 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -2.451 14.809 2.745 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -1.717 16.273 3.368 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -4.076 16.573 2.979 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -3.186 17.582 1.944 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -3.898 16.164 1.341 1.00 1.86 H new ATOM 936 N VAL A 57 0.564 10.843 3.589 1.00 0.14 N ATOM 937 CA VAL A 57 0.163 9.525 4.057 1.00 0.14 C ATOM 938 C VAL A 57 -0.228 9.567 5.527 1.00 0.15 C ATOM 939 O VAL A 57 0.186 10.462 6.264 1.00 0.15 O ATOM 940 CB VAL A 57 1.285 8.488 3.864 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.699 8.418 2.405 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.476 8.817 4.750 1.00 0.13 C ATOM 0 H VAL A 57 0.952 11.446 4.314 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.698 9.225 3.459 1.00 0.14 H new ATOM 0 HB VAL A 57 0.905 7.509 4.157 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.493 7.680 2.287 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.842 8.129 1.797 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.060 9.394 2.082 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.258 8.073 4.599 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.860 9.804 4.492 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.165 8.810 5.795 1.00 0.13 H new ATOM 952 N LYS A 58 -1.028 8.596 5.950 1.00 0.17 N ATOM 953 CA LYS A 58 -1.473 8.530 7.335 1.00 0.20 C ATOM 954 C LYS A 58 -2.234 7.241 7.607 1.00 0.16 C ATOM 955 O LYS A 58 -3.187 6.907 6.903 1.00 0.18 O ATOM 956 CB LYS A 58 -2.357 9.734 7.663 1.00 0.26 C ATOM 957 CG LYS A 58 -3.012 9.654 9.035 1.00 0.63 C ATOM 958 CD LYS A 58 -1.986 9.747 10.153 1.00 1.21 C ATOM 959 CE LYS A 58 -2.598 9.397 11.500 1.00 1.69 C ATOM 960 NZ LYS A 58 -3.744 10.286 11.839 1.00 2.33 N ATOM 0 H LYS A 58 -1.381 7.846 5.355 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.589 8.547 7.973 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -1.755 10.641 7.609 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.134 9.821 6.903 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.738 10.460 9.139 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -3.561 8.717 9.122 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -1.155 9.073 9.943 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -1.576 10.756 10.189 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -2.935 8.360 11.487 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -1.836 9.475 12.276 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -4.035 10.117 12.823 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -3.457 11.280 11.728 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -4.541 10.083 11.203 1.00 2.33 H new ATOM 974 N GLN A 59 -1.804 6.518 8.633 1.00 0.15 N ATOM 975 CA GLN A 59 -2.450 5.276 9.017 1.00 0.13 C ATOM 976 C GLN A 59 -3.630 5.563 9.933 1.00 0.13 C ATOM 977 O GLN A 59 -3.501 6.295 10.915 1.00 0.16 O ATOM 978 CB GLN A 59 -1.457 4.359 9.721 1.00 0.16 C ATOM 979 CG GLN A 59 -2.091 3.089 10.254 1.00 0.20 C ATOM 980 CD GLN A 59 -1.706 2.808 11.692 1.00 0.44 C ATOM 981 OE1 GLN A 59 -0.769 2.057 11.962 1.00 1.13 O ATOM 982 NE2 GLN A 59 -2.420 3.424 12.626 1.00 0.36 N ATOM 0 H GLN A 59 -1.006 6.775 9.215 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.811 4.778 8.117 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.660 4.095 9.026 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -0.994 4.900 10.546 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -3.176 3.170 10.181 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.791 2.247 9.630 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -3.189 4.038 12.358 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -2.200 3.283 13.612 1.00 0.36 H new ATOM 991 N VAL A 60 -4.779 4.988 9.611 1.00 0.13 N ATOM 992 CA VAL A 60 -5.979 5.201 10.407 1.00 0.16 C ATOM 993 C VAL A 60 -6.836 3.945 10.467 1.00 0.15 C ATOM 994 O VAL A 60 -6.702 3.048 9.636 1.00 0.18 O ATOM 995 CB VAL A 60 -6.824 6.352 9.835 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.308 6.008 8.436 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.996 6.664 10.752 1.00 0.23 C ATOM 0 H VAL A 60 -4.906 4.373 8.807 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.649 5.457 11.414 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.199 7.243 9.772 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.905 6.832 8.045 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.450 5.840 7.785 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.917 5.105 8.474 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.581 7.481 10.330 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.626 5.780 10.851 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.622 6.955 11.734 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.717 3.891 11.458 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.604 2.752 11.625 1.00 0.20 C ATOM 1009 C LYS A 61 -9.947 3.036 10.971 1.00 0.21 C ATOM 1010 O LYS A 61 -10.738 3.835 11.472 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.802 2.434 13.105 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.550 1.135 13.347 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.775 0.887 14.829 1.00 0.37 C ATOM 1014 CE LYS A 61 -10.492 -0.431 15.072 1.00 1.05 C ATOM 1015 NZ LYS A 61 -9.754 -1.582 14.484 1.00 2.03 N ATOM 0 H LYS A 61 -7.835 4.624 12.157 1.00 0.19 H new ATOM 0 HA LYS A 61 -8.147 1.887 11.144 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.828 2.380 13.591 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -9.348 3.252 13.575 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.511 1.166 12.833 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -8.987 0.305 12.920 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -8.816 0.882 15.347 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -10.361 1.704 15.251 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -10.612 -0.586 16.144 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -11.493 -0.384 14.643 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -10.113 -2.469 14.891 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -9.892 -1.593 13.453 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -8.740 -1.489 14.697 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.195 2.374 9.854 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.437 2.556 9.119 1.00 0.22 C ATOM 1031 C LYS A 62 -12.120 1.222 8.870 1.00 0.23 C ATOM 1032 O LYS A 62 -11.507 0.285 8.363 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.162 3.250 7.787 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.557 4.634 7.939 1.00 0.30 C ATOM 1035 CD LYS A 62 -11.559 5.612 8.531 1.00 0.50 C ATOM 1036 CE LYS A 62 -10.911 6.947 8.861 1.00 0.75 C ATOM 1037 NZ LYS A 62 -11.899 7.924 9.396 1.00 1.04 N ATOM 0 H LYS A 62 -9.551 1.703 9.434 1.00 0.20 H new ATOM 0 HA LYS A 62 -12.099 3.178 9.721 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.488 2.630 7.196 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.095 3.329 7.228 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.676 4.580 8.579 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -10.223 4.996 6.967 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -12.376 5.768 7.826 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -11.994 5.185 9.434 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -10.118 6.795 9.593 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -10.444 7.356 7.965 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -11.419 8.822 9.609 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.643 8.089 8.688 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -12.326 7.545 10.265 1.00 1.04 H new ATOM 1051 N THR A 63 -13.392 1.140 9.229 1.00 0.17 N ATOM 1052 CA THR A 63 -14.148 -0.083 9.032 1.00 0.15 C ATOM 1053 C THR A 63 -14.314 -0.366 7.546 1.00 0.13 C ATOM 1054 O THR A 63 -14.398 0.557 6.735 1.00 0.15 O ATOM 1055 CB THR A 63 -15.537 -0.015 9.693 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.331 0.995 9.063 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.415 0.284 11.180 1.00 0.24 C ATOM 0 H THR A 63 -13.918 1.902 9.656 1.00 0.17 H new ATOM 0 HA THR A 63 -13.585 -0.888 9.504 1.00 0.15 H new ATOM 0 HB THR A 63 -16.020 -0.985 9.571 1.00 0.20 H new ATOM 0 HG1 THR A 63 -17.273 0.726 9.077 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.409 0.327 11.625 1.00 0.24 H new ATOM 0 HG22 THR A 63 -14.835 -0.502 11.663 1.00 0.24 H new ATOM 0 HG23 THR A 63 -14.913 1.242 11.319 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.356 -1.640 7.191 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.493 -2.044 5.797 1.00 0.13 C ATOM 1067 C ILE A 64 -15.544 -1.211 5.063 1.00 0.17 C ATOM 1068 O ILE A 64 -15.294 -0.703 3.968 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.868 -3.532 5.694 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.823 -4.391 6.405 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -15.001 -3.946 4.238 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.018 -5.875 6.197 1.00 0.20 C ATOM 0 H ILE A 64 -14.297 -2.416 7.850 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.525 -1.876 5.324 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.831 -3.684 6.182 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.831 -4.110 6.050 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.853 -4.175 7.473 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.267 -5.002 4.183 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.779 -3.351 3.760 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -14.053 -3.783 3.725 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.241 -6.422 6.730 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -14.996 -6.170 6.578 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -13.958 -6.104 5.133 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.710 -1.067 5.677 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.802 -0.308 5.079 1.00 0.26 C ATOM 1086 C ASP A 65 -17.412 1.151 4.852 1.00 0.24 C ATOM 1087 O ASP A 65 -18.060 1.860 4.081 1.00 0.27 O ATOM 1088 CB ASP A 65 -19.044 -0.380 5.966 1.00 0.33 C ATOM 1089 CG ASP A 65 -18.841 0.306 7.303 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -19.091 1.528 7.386 1.00 2.08 O ATOM 1091 OD2 ASP A 65 -18.431 -0.376 8.265 1.00 1.99 O ATOM 0 H ASP A 65 -16.925 -1.466 6.591 1.00 0.21 H new ATOM 0 HA ASP A 65 -18.022 -0.754 4.109 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -19.884 0.082 5.448 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -19.308 -1.424 6.133 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.356 1.597 5.523 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.896 2.973 5.385 1.00 0.20 C ATOM 1098 C ARG A 66 -14.873 3.101 4.260 1.00 0.15 C ATOM 1099 O ARG A 66 -14.694 4.179 3.692 1.00 0.14 O ATOM 1100 CB ARG A 66 -15.291 3.463 6.701 1.00 0.24 C ATOM 1101 CG ARG A 66 -16.311 3.623 7.816 1.00 0.71 C ATOM 1102 CD ARG A 66 -17.247 4.793 7.557 1.00 0.66 C ATOM 1103 NE ARG A 66 -18.138 5.041 8.687 1.00 1.54 N ATOM 1104 CZ ARG A 66 -19.099 5.960 8.681 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -19.294 6.710 7.606 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -19.865 6.128 9.750 1.00 2.72 N ATOM 0 H ARG A 66 -15.805 1.028 6.165 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.757 3.592 5.135 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -14.522 2.761 7.022 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.798 4.420 6.531 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.892 2.706 7.912 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -15.794 3.773 8.764 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -16.660 5.689 7.355 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.840 4.592 6.665 1.00 0.66 H new ATOM 0 HE ARG A 66 -18.016 4.477 9.528 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.707 6.583 6.782 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -20.032 7.415 7.603 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -19.718 5.552 10.579 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -20.602 6.833 9.744 1.00 2.72 H new ATOM 1120 N LEU A 67 -14.207 1.997 3.944 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.203 1.984 2.889 1.00 0.11 C ATOM 1122 C LEU A 67 -13.777 2.482 1.570 1.00 0.13 C ATOM 1123 O LEU A 67 -13.038 2.891 0.675 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.644 0.574 2.720 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.434 0.242 3.600 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.588 0.827 4.997 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.243 -1.261 3.678 1.00 0.15 C ATOM 0 H LEU A 67 -14.345 1.098 4.405 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.398 2.660 3.180 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.437 -0.142 2.935 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.363 0.434 1.676 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.552 0.692 3.144 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.713 0.574 5.596 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.680 1.911 4.929 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.481 0.416 5.467 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.381 -1.486 4.306 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.134 -1.719 4.108 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -11.077 -1.659 2.677 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.096 2.437 1.448 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.757 2.899 0.240 1.00 0.19 C ATOM 1141 C ASN A 68 -15.782 4.429 0.184 1.00 0.19 C ATOM 1142 O ASN A 68 -16.115 5.013 -0.848 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.185 2.352 0.184 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.792 2.456 -1.200 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -18.703 1.544 -1.512 1.00 1.69 O flip ATOM 1146 ND2 ASN A 68 -17.451 3.345 -1.979 1.00 0.83 N flip ATOM 0 H ASN A 68 -15.726 2.086 2.169 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.197 2.532 -0.620 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.184 1.309 0.499 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.808 2.898 0.892 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -16.746 4.027 -1.698 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -17.873 3.401 -2.906 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.425 5.078 1.294 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.426 6.534 1.356 1.00 0.18 C ATOM 1155 C PHE A 69 -14.039 7.095 1.675 1.00 0.15 C ATOM 1156 O PHE A 69 -13.823 8.303 1.591 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.429 7.007 2.410 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.769 6.343 2.291 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.742 6.870 1.459 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -18.059 5.197 3.014 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.979 6.267 1.348 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.294 4.588 2.906 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.243 5.100 2.069 1.00 0.34 C ATOM 0 H PHE A 69 -15.133 4.618 2.156 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.715 6.906 0.373 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -16.022 6.813 3.402 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.556 8.086 2.323 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.531 7.763 0.890 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.311 4.775 3.669 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.737 6.694 0.708 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.510 3.703 3.486 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.196 4.604 1.964 1.00 0.34 H new ATOM 1173 N ILE A 70 -13.099 6.223 2.038 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.750 6.670 2.365 1.00 0.11 C ATOM 1175 C ILE A 70 -10.977 7.040 1.109 1.00 0.12 C ATOM 1176 O ILE A 70 -11.447 6.829 -0.010 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.961 5.604 3.153 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.726 4.364 2.292 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.693 5.239 4.436 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.981 3.264 3.015 1.00 0.15 C ATOM 0 H ILE A 70 -13.246 5.216 2.112 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.861 7.552 2.996 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.990 6.021 3.421 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.687 3.979 1.952 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.164 4.649 1.402 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -11.122 4.486 4.979 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.804 6.128 5.057 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.678 4.841 4.192 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.848 2.414 2.346 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -9.005 3.633 3.331 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.552 2.952 3.889 1.00 0.15 H new ATOM 1192 N SER A 71 -9.786 7.590 1.302 1.00 0.12 N ATOM 1193 CA SER A 71 -8.945 8.009 0.190 1.00 0.14 C ATOM 1194 C SER A 71 -8.330 6.813 -0.524 1.00 0.13 C ATOM 1195 O SER A 71 -7.286 6.303 -0.119 1.00 0.15 O ATOM 1196 CB SER A 71 -7.839 8.940 0.685 1.00 0.17 C ATOM 1197 OG SER A 71 -7.037 9.396 -0.390 1.00 1.14 O ATOM 0 H SER A 71 -9.379 7.757 2.222 1.00 0.12 H new ATOM 0 HA SER A 71 -9.577 8.542 -0.521 1.00 0.14 H new ATOM 0 HB2 SER A 71 -8.281 9.793 1.200 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.216 8.417 1.411 1.00 0.17 H new ATOM 0 HG SER A 71 -6.091 9.273 -0.167 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.986 6.369 -1.588 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.496 5.246 -2.376 1.00 0.12 C ATOM 1205 C LEU A 72 -7.660 5.755 -3.553 1.00 0.13 C ATOM 1206 O LEU A 72 -7.912 6.843 -4.071 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.666 4.399 -2.883 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.742 2.978 -2.315 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.672 2.996 -0.797 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -11.017 2.291 -2.778 1.00 0.16 C ATOM 0 H LEU A 72 -9.861 6.770 -1.926 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.867 4.622 -1.742 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.596 4.916 -2.648 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.603 4.335 -3.969 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.886 2.416 -2.688 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.728 1.976 -0.418 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.732 3.449 -0.481 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.506 3.576 -0.401 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.057 1.282 -2.367 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.882 2.858 -2.433 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -11.028 2.239 -3.867 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.653 4.979 -4.000 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.320 3.674 -3.424 1.00 0.11 C ATOM 1224 C PRO A 73 -5.637 3.797 -2.068 1.00 0.10 C ATOM 1225 O PRO A 73 -4.728 4.607 -1.887 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.366 3.068 -4.452 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.714 4.242 -5.091 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.751 5.334 -5.112 1.00 0.14 C ATOM 0 HA PRO A 73 -7.208 3.070 -3.239 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.633 2.416 -3.977 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.902 2.464 -5.184 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.833 4.552 -4.530 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.381 4.001 -6.100 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.302 6.316 -4.965 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.281 5.365 -6.064 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.086 2.987 -1.116 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.524 3.000 0.229 1.00 0.09 C ATOM 1238 C ALA A 74 -4.686 1.753 0.486 1.00 0.08 C ATOM 1239 O ALA A 74 -4.878 0.721 -0.158 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.638 3.114 1.257 1.00 0.09 C ATOM 0 H ALA A 74 -6.839 2.312 -1.251 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.869 3.867 0.319 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.209 3.123 2.259 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.193 4.038 1.092 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.312 2.263 1.159 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.756 1.852 1.432 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.887 0.730 1.767 1.00 0.07 C ATOM 1248 C LEU A 75 -3.310 0.065 3.071 1.00 0.07 C ATOM 1249 O LEU A 75 -3.154 0.636 4.149 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.438 1.200 1.889 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.462 0.147 2.417 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.281 -0.971 1.404 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.876 0.784 2.760 1.00 0.09 C ATOM 0 H LEU A 75 -3.586 2.696 1.979 1.00 0.07 H new ATOM 0 HA LEU A 75 -2.972 -0.000 0.962 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.096 1.533 0.909 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.407 2.067 2.549 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.880 -0.283 3.327 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.417 -1.710 1.798 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.243 -1.447 1.211 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.113 -0.560 0.475 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.558 0.020 3.134 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.300 1.243 1.867 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.730 1.546 3.525 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.837 -1.148 2.968 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.262 -1.893 4.142 1.00 0.07 C ATOM 1267 C VAL A 76 -3.053 -2.498 4.845 1.00 0.07 C ATOM 1268 O VAL A 76 -2.583 -3.575 4.479 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.254 -3.012 3.778 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.673 -3.899 2.694 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.621 -3.833 5.006 1.00 0.10 C ATOM 0 H VAL A 76 -3.980 -1.635 2.083 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.767 -1.193 4.808 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.166 -2.552 3.397 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.386 -4.686 2.447 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.469 -3.302 1.805 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.746 -4.348 3.050 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.323 -4.617 4.723 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.721 -4.285 5.424 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.082 -3.186 5.752 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.559 -1.799 5.856 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.397 -2.256 6.602 1.00 0.08 C ATOM 1283 C TRP A 77 -1.632 -3.638 7.201 1.00 0.09 C ATOM 1284 O TRP A 77 -2.626 -3.868 7.890 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.061 -1.261 7.709 1.00 0.10 C ATOM 1286 CG TRP A 77 0.288 -1.486 8.310 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.562 -1.976 9.551 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.548 -1.230 7.688 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.919 -2.037 9.742 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.548 -1.584 8.612 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.929 -0.737 6.439 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.903 -1.457 8.325 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.275 -0.611 6.155 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.248 -0.971 7.095 1.00 0.12 C ATOM 0 H TRP A 77 -2.946 -0.912 6.179 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.558 -2.324 5.909 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.109 -0.249 7.306 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.817 -1.329 8.492 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.180 -2.273 10.278 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.384 -2.366 10.588 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.185 -0.459 5.708 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.656 -1.733 9.049 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.582 -0.229 5.193 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.293 -0.862 6.843 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.708 -4.552 6.931 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.798 -5.908 7.448 1.00 0.13 C ATOM 1307 C ARG A 78 0.373 -6.205 8.373 1.00 0.15 C ATOM 1308 O ARG A 78 1.528 -6.217 7.950 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.834 -6.918 6.300 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.192 -7.015 5.623 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.129 -7.940 6.384 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.671 -9.326 6.353 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.368 -10.347 6.841 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.551 -10.138 7.400 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -2.882 -11.578 6.769 1.00 0.38 N ATOM 0 H ARG A 78 0.115 -4.376 6.354 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.723 -5.996 8.018 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.085 -6.640 5.558 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.555 -7.900 6.681 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.637 -6.022 5.553 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.066 -7.381 4.604 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.207 -7.607 7.419 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.128 -7.878 5.953 1.00 0.30 H new ATOM 0 HE ARG A 78 -1.763 -9.522 5.932 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.928 -9.192 7.456 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -5.084 -10.923 7.774 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -1.972 -11.743 6.339 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.418 -12.361 7.144 1.00 0.38 H new ATOM 1329 N GLU A 79 0.058 -6.446 9.637 1.00 0.17 N ATOM 1330 CA GLU A 79 1.071 -6.740 10.638 1.00 0.20 C ATOM 1331 C GLU A 79 1.959 -7.895 10.196 1.00 0.23 C ATOM 1332 O GLU A 79 3.093 -8.030 10.657 1.00 0.28 O ATOM 1333 CB GLU A 79 0.408 -7.070 11.972 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.412 -5.923 12.538 1.00 0.28 C ATOM 1335 CD GLU A 79 -0.967 -6.225 13.915 1.00 0.86 C ATOM 1336 OE1 GLU A 79 -2.024 -6.885 13.997 1.00 1.75 O ATOM 1337 OE2 GLU A 79 -0.344 -5.802 14.911 1.00 1.13 O ATOM 0 H GLU A 79 -0.897 -6.443 9.995 1.00 0.17 H new ATOM 0 HA GLU A 79 1.698 -5.856 10.757 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.237 -7.939 11.844 1.00 0.21 H new ATOM 0 HB3 GLU A 79 1.177 -7.347 12.693 1.00 0.21 H new ATOM 0 HG2 GLU A 79 0.209 -5.029 12.589 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -1.236 -5.701 11.859 1.00 0.28 H new ATOM 1344 N ASP A 80 1.436 -8.727 9.303 1.00 0.24 N ATOM 1345 CA ASP A 80 2.188 -9.866 8.796 1.00 0.32 C ATOM 1346 C ASP A 80 3.088 -9.460 7.628 1.00 0.35 C ATOM 1347 O ASP A 80 3.848 -10.279 7.110 1.00 0.45 O ATOM 1348 CB ASP A 80 1.231 -10.975 8.365 1.00 0.34 C ATOM 1349 CG ASP A 80 0.121 -10.463 7.471 1.00 1.29 C ATOM 1350 OD1 ASP A 80 -0.841 -9.870 8.000 1.00 2.00 O ATOM 1351 OD2 ASP A 80 0.215 -10.655 6.241 1.00 1.86 O ATOM 0 H ASP A 80 0.497 -8.634 8.917 1.00 0.24 H new ATOM 0 HA ASP A 80 2.826 -10.236 9.599 1.00 0.32 H new ATOM 0 HB2 ASP A 80 1.790 -11.749 7.839 1.00 0.34 H new ATOM 0 HB3 ASP A 80 0.796 -11.440 9.250 1.00 0.34 H new ATOM 1356 N GLY A 81 3.002 -8.196 7.214 1.00 0.32 N ATOM 1357 CA GLY A 81 3.824 -7.720 6.118 1.00 0.40 C ATOM 1358 C GLY A 81 3.190 -7.954 4.761 1.00 0.45 C ATOM 1359 O GLY A 81 3.617 -7.372 3.765 1.00 0.82 O ATOM 0 H GLY A 81 2.379 -7.497 7.618 1.00 0.32 H new ATOM 0 HA2 GLY A 81 4.011 -6.654 6.247 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.792 -8.220 6.152 1.00 0.40 H new ATOM 1363 N ARG A 82 2.164 -8.798 4.719 1.00 0.18 N ATOM 1364 CA ARG A 82 1.480 -9.101 3.471 1.00 0.18 C ATOM 1365 C ARG A 82 0.403 -8.063 3.201 1.00 0.14 C ATOM 1366 O ARG A 82 -0.785 -8.382 3.150 1.00 0.17 O ATOM 1367 CB ARG A 82 0.853 -10.492 3.539 1.00 0.22 C ATOM 1368 CG ARG A 82 1.743 -11.526 4.205 1.00 0.29 C ATOM 1369 CD ARG A 82 2.871 -11.968 3.291 1.00 0.60 C ATOM 1370 NE ARG A 82 3.663 -13.048 3.877 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.549 -13.765 3.195 1.00 1.46 C ATOM 1372 NH1 ARG A 82 4.762 -13.513 1.910 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.223 -14.736 3.796 1.00 1.85 N ATOM 0 H ARG A 82 1.790 -9.283 5.535 1.00 0.18 H new ATOM 0 HA ARG A 82 2.207 -9.079 2.659 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.089 -10.431 4.083 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.616 -10.825 2.528 1.00 0.22 H new ATOM 0 HG2 ARG A 82 2.160 -11.111 5.123 1.00 0.29 H new ATOM 0 HG3 ARG A 82 1.145 -12.392 4.490 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.457 -12.299 2.339 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.519 -11.118 3.079 1.00 0.60 H new ATOM 0 HE ARG A 82 3.528 -13.263 4.865 1.00 0.96 H new ATOM 0 HH11 ARG A 82 4.245 -12.767 1.444 1.00 1.68 H new ATOM 0 HH12 ARG A 82 5.443 -14.065 1.388 1.00 1.68 H new ATOM 0 HH21 ARG A 82 5.061 -14.933 4.784 1.00 1.85 H new ATOM 0 HH22 ARG A 82 5.903 -15.286 3.271 1.00 1.85 H new ATOM 1387 N HIS A 83 0.827 -6.820 3.025 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.106 -5.729 2.777 1.00 0.09 C ATOM 1389 C HIS A 83 -0.559 -5.723 1.324 1.00 0.08 C ATOM 1390 O HIS A 83 -0.014 -6.442 0.486 1.00 0.10 O ATOM 1391 CB HIS A 83 0.522 -4.368 3.113 1.00 0.12 C ATOM 1392 CG HIS A 83 1.674 -4.426 4.070 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.486 -4.664 5.409 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.997 -4.259 3.830 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.689 -4.636 5.954 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.637 -4.395 5.035 1.00 0.15 N ATOM 0 H HIS A 83 1.808 -6.542 3.049 1.00 0.11 H new ATOM 0 HA HIS A 83 -0.967 -5.891 3.425 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.860 -3.901 2.188 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.249 -3.722 3.533 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.458 -4.058 2.874 1.00 0.13 H new ATOM 0 HE1 HIS A 83 2.885 -4.788 7.005 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.641 -4.326 5.201 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.563 -4.907 1.040 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.089 -4.770 -0.307 1.00 0.08 C ATOM 1406 C PHE A 84 -2.809 -3.434 -0.440 1.00 0.08 C ATOM 1407 O PHE A 84 -3.334 -2.901 0.536 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.012 -5.938 -0.665 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.164 -6.137 0.278 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -5.357 -5.451 0.096 1.00 0.12 C ATOM 1411 CD2 PHE A 84 -4.049 -6.994 1.357 1.00 0.11 C ATOM 1412 CE1 PHE A 84 -6.412 -5.623 0.972 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -5.098 -7.169 2.236 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.311 -6.525 2.000 1.00 0.15 C ATOM 0 H PHE A 84 -2.033 -4.325 1.733 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.259 -4.793 -1.013 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.405 -5.779 -1.669 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.422 -6.854 -0.695 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -5.462 -4.775 -0.740 1.00 0.12 H new ATOM 0 HD2 PHE A 84 -3.126 -7.533 1.514 1.00 0.11 H new ATOM 0 HE1 PHE A 84 -7.317 -5.047 0.847 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -4.980 -7.802 3.103 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.167 -6.735 2.624 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.830 -2.897 -1.651 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.452 -1.602 -1.894 1.00 0.09 C ATOM 1426 C ILE A 85 -4.895 -1.732 -2.361 1.00 0.08 C ATOM 1427 O ILE A 85 -5.167 -2.264 -3.437 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.651 -0.799 -2.940 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.221 -0.569 -2.446 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.329 0.529 -3.247 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.413 0.346 -3.341 1.00 0.12 C ATOM 0 H ILE A 85 -2.425 -3.335 -2.478 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.450 -1.073 -0.941 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.616 -1.379 -3.862 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.256 -0.145 -1.442 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.713 -1.530 -2.369 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.743 1.074 -3.987 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.329 0.345 -3.640 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.401 1.120 -2.334 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.590 0.464 -2.930 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.347 -0.087 -4.339 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.899 1.320 -3.399 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.818 -1.232 -1.544 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.231 -1.260 -1.887 1.00 0.08 C ATOM 1445 C LEU A 86 -7.519 -0.157 -2.893 1.00 0.08 C ATOM 1446 O LEU A 86 -7.193 1.003 -2.654 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.099 -1.079 -0.638 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.606 -1.072 -0.900 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -10.006 -2.283 -1.725 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.378 -1.047 0.410 1.00 0.14 C ATOM 0 H LEU A 86 -5.610 -0.804 -0.642 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.473 -2.229 -2.324 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.870 -1.880 0.065 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.824 -0.142 -0.154 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.852 -0.171 -1.462 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.081 -2.263 -1.903 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.480 -2.263 -2.680 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.744 -3.193 -1.186 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.448 -1.042 0.202 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.126 -1.930 0.997 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.114 -0.151 0.971 1.00 0.14 H new ATOM 1462 N THR A 87 -8.125 -0.518 -4.013 1.00 0.08 N ATOM 1463 CA THR A 87 -8.415 0.454 -5.059 1.00 0.09 C ATOM 1464 C THR A 87 -9.909 0.624 -5.295 1.00 0.09 C ATOM 1465 O THR A 87 -10.346 1.641 -5.834 1.00 0.11 O ATOM 1466 CB THR A 87 -7.751 0.043 -6.382 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.365 -1.147 -6.888 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.264 -0.196 -6.183 1.00 0.13 C ATOM 0 H THR A 87 -8.425 -1.470 -4.222 1.00 0.08 H new ATOM 0 HA THR A 87 -8.010 1.405 -4.714 1.00 0.09 H new ATOM 0 HB THR A 87 -7.883 0.853 -7.099 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.437 -1.809 -6.169 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.812 -0.486 -7.131 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.794 0.718 -5.822 1.00 0.13 H new ATOM 0 HG23 THR A 87 -6.118 -0.992 -5.453 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.693 -0.370 -4.901 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.134 -0.309 -5.095 1.00 0.10 C ATOM 1478 C LYS A 88 -12.849 -1.378 -4.283 1.00 0.11 C ATOM 1479 O LYS A 88 -12.254 -2.381 -3.890 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.466 -0.473 -6.578 1.00 0.12 C ATOM 1481 CG LYS A 88 -13.954 -0.551 -6.869 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.217 -0.745 -8.355 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.694 -0.966 -8.638 1.00 0.55 C ATOM 1484 NZ LYS A 88 -15.953 -1.196 -10.087 1.00 1.43 N ATOM 0 H LYS A 88 -10.359 -1.221 -4.449 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.480 0.665 -4.749 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -12.041 0.365 -7.130 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -11.985 -1.377 -6.950 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.394 -1.376 -6.309 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.442 0.362 -6.527 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.868 0.129 -8.904 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.645 -1.599 -8.718 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -16.049 -1.823 -8.065 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -16.262 -0.099 -8.301 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -16.971 -1.342 -10.239 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -15.637 -0.368 -10.632 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -15.431 -2.038 -10.404 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.130 -1.147 -4.030 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.940 -2.087 -3.275 1.00 0.15 C ATOM 1500 C VAL A 89 -16.343 -2.189 -3.867 1.00 0.17 C ATOM 1501 O VAL A 89 -17.092 -1.213 -3.891 1.00 0.20 O ATOM 1502 CB VAL A 89 -15.024 -1.689 -1.785 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.635 -1.418 -1.232 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.922 -0.476 -1.584 1.00 0.21 C ATOM 0 H VAL A 89 -14.630 -0.313 -4.339 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.456 -3.062 -3.341 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.465 -2.524 -1.240 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.710 -1.139 -0.181 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -13.024 -2.316 -1.326 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.173 -0.605 -1.792 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -15.959 -0.222 -0.525 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.523 0.369 -2.146 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.927 -0.705 -1.938 1.00 0.21 H new ATOM 1514 N SER A 90 -16.691 -3.375 -4.351 1.00 0.20 N ATOM 1515 CA SER A 90 -18.003 -3.597 -4.944 1.00 0.24 C ATOM 1516 C SER A 90 -18.994 -4.073 -3.891 1.00 0.23 C ATOM 1517 O SER A 90 -19.290 -5.263 -3.799 1.00 0.22 O ATOM 1518 CB SER A 90 -17.907 -4.623 -6.074 1.00 0.27 C ATOM 1519 OG SER A 90 -16.962 -4.219 -7.050 1.00 1.15 O ATOM 0 H SER A 90 -16.085 -4.195 -4.345 1.00 0.20 H new ATOM 0 HA SER A 90 -18.358 -2.651 -5.353 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.621 -5.593 -5.666 1.00 0.27 H new ATOM 0 HB3 SER A 90 -18.885 -4.749 -6.540 1.00 0.27 H new ATOM 0 HG SER A 90 -16.918 -4.892 -7.761 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.508 -3.137 -3.102 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.463 -3.463 -2.051 1.00 0.31 C ATOM 1527 C LYS A 91 -21.622 -4.278 -2.610 1.00 0.33 C ATOM 1528 O LYS A 91 -22.244 -5.066 -1.897 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.992 -2.186 -1.401 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.747 -2.430 -0.107 1.00 0.80 C ATOM 1531 CD LYS A 91 -20.844 -3.038 0.956 1.00 1.43 C ATOM 1532 CE LYS A 91 -21.576 -3.217 2.276 1.00 1.61 C ATOM 1533 NZ LYS A 91 -22.072 -1.920 2.816 1.00 1.86 N ATOM 0 H LYS A 91 -19.279 -2.145 -3.171 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.949 -4.060 -1.297 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -20.156 -1.516 -1.203 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.650 -1.676 -2.105 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -22.159 -1.490 0.258 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -22.589 -3.096 -0.295 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -20.474 -4.003 0.611 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.975 -2.398 1.105 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -22.416 -3.897 2.136 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -20.908 -3.681 3.002 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -22.318 -2.033 3.820 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -21.330 -1.198 2.721 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -22.915 -1.622 2.285 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.907 -4.081 -3.890 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.986 -4.797 -4.553 1.00 0.41 C ATOM 1549 C GLU A 92 -22.770 -6.299 -4.449 1.00 0.35 C ATOM 1550 O GLU A 92 -23.712 -7.066 -4.254 1.00 0.39 O ATOM 1551 CB GLU A 92 -23.067 -4.384 -6.021 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.409 -2.918 -6.219 1.00 0.57 C ATOM 1553 CD GLU A 92 -23.407 -2.511 -7.680 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -24.431 -2.735 -8.359 1.00 1.29 O ATOM 1555 OE2 GLU A 92 -22.383 -1.967 -8.143 1.00 2.09 O ATOM 0 H GLU A 92 -21.403 -3.429 -4.491 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.924 -4.543 -4.059 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -22.112 -4.595 -6.503 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.818 -4.995 -6.521 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -24.391 -2.717 -5.791 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -22.692 -2.305 -5.674 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.514 -6.705 -4.581 1.00 0.30 N ATOM 1563 CA ALA A 93 -21.146 -8.111 -4.502 1.00 0.30 C ATOM 1564 C ALA A 93 -20.257 -8.391 -3.291 1.00 0.26 C ATOM 1565 O ALA A 93 -19.884 -9.537 -3.039 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.440 -8.533 -5.779 1.00 0.36 C ATOM 0 H ALA A 93 -20.729 -6.075 -4.744 1.00 0.30 H new ATOM 0 HA ALA A 93 -22.060 -8.693 -4.384 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -20.167 -9.586 -5.713 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -21.105 -8.383 -6.629 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.540 -7.933 -5.912 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.920 -7.343 -2.541 1.00 0.18 N ATOM 1573 CA ASN A 94 -19.078 -7.482 -1.365 1.00 0.18 C ATOM 1574 C ASN A 94 -17.637 -7.782 -1.766 1.00 0.19 C ATOM 1575 O ASN A 94 -16.865 -8.325 -0.979 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.609 -8.593 -0.454 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.125 -8.654 -0.426 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.745 -9.343 -1.236 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.728 -7.930 0.508 1.00 0.44 N ATOM 0 H ASN A 94 -20.221 -6.387 -2.732 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.099 -6.538 -0.820 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.217 -9.552 -0.792 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.237 -8.436 0.558 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.746 -7.930 0.575 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -21.174 -7.373 1.159 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.277 -7.416 -2.994 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.929 -7.653 -3.494 1.00 0.15 C ATOM 1588 C ARG A 95 -15.030 -6.452 -3.232 1.00 0.13 C ATOM 1589 O ARG A 95 -15.507 -5.355 -2.938 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.964 -7.967 -4.987 1.00 0.18 C ATOM 1591 CG ARG A 95 -16.920 -9.091 -5.343 1.00 0.26 C ATOM 1592 CD ARG A 95 -17.019 -9.282 -6.845 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.546 -8.096 -7.516 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.794 -8.038 -8.820 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -17.547 -9.088 -9.591 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -18.285 -6.929 -9.356 1.00 1.98 N ATOM 0 H ARG A 95 -17.899 -6.956 -3.658 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.518 -8.510 -2.961 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.251 -7.069 -5.533 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.961 -8.234 -5.318 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.583 -10.018 -4.879 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.908 -8.872 -4.937 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -16.033 -9.517 -7.246 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.662 -10.135 -7.060 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.734 -7.267 -6.952 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -17.166 -9.942 -9.183 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.738 -9.042 -10.592 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -18.473 -6.118 -8.767 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -18.474 -6.887 -10.357 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.725 -6.668 -3.341 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.753 -5.612 -3.107 1.00 0.10 C ATOM 1612 C TYR A 96 -11.593 -5.690 -4.089 1.00 0.08 C ATOM 1613 O TYR A 96 -10.958 -6.734 -4.234 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.224 -5.717 -1.681 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.300 -5.561 -0.637 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.184 -6.597 -0.363 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.440 -4.374 0.065 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.177 -6.453 0.583 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.432 -4.219 1.013 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.299 -5.262 1.268 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.291 -5.114 2.211 1.00 0.17 O ATOM 0 H TYR A 96 -13.316 -7.568 -3.591 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.252 -4.654 -3.253 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.738 -6.684 -1.551 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.462 -4.953 -1.526 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -14.092 -7.530 -0.899 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.762 -3.557 -0.133 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.855 -7.268 0.786 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.529 -3.288 1.551 1.00 0.16 H new ATOM 0 HH TYR A 96 -17.062 -5.666 1.964 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.317 -4.575 -4.755 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.225 -4.511 -5.714 1.00 0.07 C ATOM 1633 C LEU A 97 -8.939 -4.092 -5.023 1.00 0.07 C ATOM 1634 O LEU A 97 -8.801 -2.948 -4.597 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.540 -3.512 -6.823 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.515 -3.464 -7.955 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.395 -4.821 -8.629 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -9.892 -2.391 -8.964 1.00 0.13 C ATOM 0 H LEU A 97 -11.836 -3.703 -4.647 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.101 -5.503 -6.147 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.515 -3.755 -7.245 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.622 -2.518 -6.384 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.543 -3.211 -7.531 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.660 -4.765 -9.432 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.077 -5.564 -7.897 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.362 -5.109 -9.042 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.153 -2.369 -9.765 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -10.873 -2.614 -9.383 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -9.921 -1.420 -8.469 1.00 0.13 H new ATOM 1650 N ILE A 98 -7.995 -5.011 -4.923 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.727 -4.717 -4.284 1.00 0.09 C ATOM 1652 C ILE A 98 -5.574 -4.950 -5.238 1.00 0.09 C ATOM 1653 O ILE A 98 -5.674 -5.754 -6.160 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.512 -5.582 -3.031 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.475 -7.067 -3.397 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.598 -5.313 -2.005 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.102 -7.571 -3.783 1.00 0.11 C ATOM 0 H ILE A 98 -8.083 -5.964 -5.275 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.757 -3.667 -3.992 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.550 -5.315 -2.593 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.840 -7.649 -2.550 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.162 -7.244 -4.225 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.429 -5.934 -1.125 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.574 -4.262 -1.717 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.571 -5.550 -2.435 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.159 -8.632 -4.028 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.742 -7.017 -4.650 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.414 -7.428 -2.949 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.482 -4.239 -5.020 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.310 -4.403 -5.859 1.00 0.11 C ATOM 1671 C PHE A 99 -2.305 -5.306 -5.161 1.00 0.12 C ATOM 1672 O PHE A 99 -1.724 -4.932 -4.146 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.674 -3.053 -6.189 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.600 -3.154 -7.229 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.918 -3.099 -8.577 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.272 -3.297 -6.861 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.932 -3.185 -9.538 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.720 -3.384 -7.818 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.390 -3.356 -9.156 1.00 0.15 C ATOM 0 H PHE A 99 -4.383 -3.549 -4.276 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.618 -4.863 -6.798 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.447 -2.368 -6.537 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.253 -2.623 -5.280 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.949 -2.988 -8.878 1.00 0.16 H new ATOM 0 HD2 PHE A 99 -0.010 -3.341 -5.814 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.189 -3.119 -10.585 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.754 -3.474 -7.518 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.160 -3.467 -9.905 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.119 -6.500 -5.703 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.196 -7.465 -5.122 1.00 0.20 C ATOM 1691 C ASP A 100 0.249 -7.002 -5.263 1.00 0.15 C ATOM 1692 O ASP A 100 0.772 -6.880 -6.370 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.379 -8.832 -5.775 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.609 -9.925 -5.061 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.635 -9.930 -5.149 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.251 -10.777 -4.413 1.00 0.58 O ATOM 0 H ASP A 100 -2.595 -6.825 -6.545 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.421 -7.547 -4.059 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.439 -9.087 -5.786 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -1.053 -8.781 -6.814 1.00 0.28 H new ATOM 1701 N LEU A 101 0.883 -6.746 -4.125 1.00 0.14 N ATOM 1702 CA LEU A 101 2.269 -6.295 -4.094 1.00 0.12 C ATOM 1703 C LEU A 101 3.239 -7.435 -4.411 1.00 0.13 C ATOM 1704 O LEU A 101 4.438 -7.209 -4.573 1.00 0.16 O ATOM 1705 CB LEU A 101 2.583 -5.700 -2.717 1.00 0.14 C ATOM 1706 CG LEU A 101 1.951 -4.330 -2.424 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.603 -4.179 -3.112 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.792 -4.133 -0.927 1.00 0.11 C ATOM 0 H LEU A 101 0.455 -6.844 -3.204 1.00 0.14 H new ATOM 0 HA LEU A 101 2.397 -5.532 -4.862 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.251 -6.403 -1.953 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.665 -5.609 -2.619 1.00 0.14 H new ATOM 0 HG LEU A 101 2.620 -3.566 -2.820 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.185 -3.199 -2.883 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.732 -4.276 -4.190 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.076 -4.955 -2.757 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.343 -3.159 -0.734 1.00 0.11 H new ATOM 0 HD22 LEU A 101 1.149 -4.915 -0.523 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.770 -4.184 -0.447 1.00 0.11 H new ATOM 1720 N GLU A 102 2.719 -8.657 -4.502 1.00 0.14 N ATOM 1721 CA GLU A 102 3.547 -9.817 -4.799 1.00 0.16 C ATOM 1722 C GLU A 102 3.605 -10.056 -6.299 1.00 0.16 C ATOM 1723 O GLU A 102 4.670 -10.308 -6.864 1.00 0.20 O ATOM 1724 CB GLU A 102 2.983 -11.059 -4.109 1.00 0.17 C ATOM 1725 CG GLU A 102 2.490 -10.800 -2.697 1.00 0.21 C ATOM 1726 CD GLU A 102 1.976 -12.055 -2.018 1.00 0.23 C ATOM 1727 OE1 GLU A 102 2.806 -12.830 -1.495 1.00 0.32 O ATOM 1728 OE2 GLU A 102 0.745 -12.262 -2.007 1.00 0.29 O ATOM 0 H GLU A 102 1.729 -8.867 -4.374 1.00 0.14 H new ATOM 0 HA GLU A 102 4.554 -9.624 -4.428 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.160 -11.453 -4.705 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.753 -11.829 -4.080 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.302 -10.378 -2.105 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.695 -10.055 -2.725 1.00 0.21 H new ATOM 1735 N GLN A 103 2.445 -9.974 -6.936 1.00 0.15 N ATOM 1736 CA GLN A 103 2.337 -10.184 -8.370 1.00 0.16 C ATOM 1737 C GLN A 103 2.395 -8.865 -9.131 1.00 0.15 C ATOM 1738 O GLN A 103 2.613 -8.849 -10.342 1.00 0.17 O ATOM 1739 CB GLN A 103 1.036 -10.910 -8.692 1.00 0.17 C ATOM 1740 CG GLN A 103 0.730 -12.034 -7.725 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.545 -12.777 -8.067 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.934 -12.866 -9.232 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.199 -13.319 -7.048 1.00 0.45 N ATOM 0 H GLN A 103 1.560 -9.762 -6.476 1.00 0.15 H new ATOM 0 HA GLN A 103 3.184 -10.794 -8.685 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.214 -10.194 -8.680 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.092 -11.313 -9.703 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.563 -12.737 -7.718 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.648 -11.627 -6.717 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.838 -13.219 -6.099 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -2.063 -13.836 -7.213 1.00 0.45 H new ATOM 1752 N ARG A 104 2.195 -7.758 -8.415 1.00 0.15 N ATOM 1753 CA ARG A 104 2.224 -6.440 -9.031 1.00 0.15 C ATOM 1754 C ARG A 104 1.019 -6.251 -9.938 1.00 0.16 C ATOM 1755 O ARG A 104 1.065 -5.489 -10.903 1.00 0.20 O ATOM 1756 CB ARG A 104 3.516 -6.260 -9.827 1.00 0.16 C ATOM 1757 CG ARG A 104 4.758 -6.632 -9.038 1.00 0.17 C ATOM 1758 CD ARG A 104 6.027 -6.304 -9.804 1.00 0.21 C ATOM 1759 NE ARG A 104 7.230 -6.657 -9.052 1.00 0.79 N ATOM 1760 CZ ARG A 104 8.451 -6.658 -9.576 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.628 -6.321 -10.845 1.00 0.64 N ATOM 1762 NH2 ARG A 104 9.495 -6.994 -8.829 1.00 1.67 N ATOM 0 H ARG A 104 2.012 -7.752 -7.412 1.00 0.15 H new ATOM 0 HA ARG A 104 2.187 -5.687 -8.244 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.469 -6.871 -10.728 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.595 -5.222 -10.150 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.759 -6.099 -8.087 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.737 -7.697 -8.807 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.024 -6.838 -10.754 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.045 -5.239 -10.036 1.00 0.21 H new ATOM 0 HE ARG A 104 7.126 -6.917 -8.071 1.00 0.79 H new ATOM 0 HH11 ARG A 104 7.827 -6.061 -11.420 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.565 -6.322 -11.247 1.00 0.64 H new ATOM 0 HH21 ARG A 104 9.361 -7.252 -7.851 1.00 1.67 H new ATOM 0 HH22 ARG A 104 10.432 -6.994 -9.232 1.00 1.67 H new ATOM 1776 N ASN A 105 -0.065 -6.945 -9.613 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.284 -6.865 -10.401 1.00 0.16 C ATOM 1778 C ASN A 105 -2.504 -6.679 -9.508 1.00 0.13 C ATOM 1779 O ASN A 105 -2.492 -7.066 -8.340 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.454 -8.135 -11.233 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.601 -9.374 -10.369 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -2.096 -9.305 -9.244 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.171 -10.516 -10.890 1.00 0.45 N ATOM 0 H ASN A 105 -0.123 -7.569 -8.808 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.201 -6.001 -11.061 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.332 -8.034 -11.871 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.593 -8.254 -11.891 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.245 -11.381 -10.354 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.767 -10.529 -11.826 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.578 -6.083 -10.049 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.814 -5.862 -9.304 1.00 0.13 C ATOM 1792 C PRO A 106 -5.592 -7.155 -9.122 1.00 0.15 C ATOM 1793 O PRO A 106 -5.467 -8.084 -9.918 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.609 -4.880 -10.175 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.681 -4.462 -11.268 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.682 -5.569 -11.417 1.00 0.22 C ATOM 0 HA PRO A 106 -4.622 -5.483 -8.300 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.503 -5.353 -10.581 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.940 -4.020 -9.593 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.224 -4.301 -12.199 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.187 -3.523 -11.020 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -4.024 -6.334 -12.114 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.724 -5.205 -11.788 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.398 -7.206 -8.073 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.189 -8.390 -7.783 1.00 0.13 C ATOM 1806 C ARG A 107 -8.489 -8.026 -7.084 1.00 0.11 C ATOM 1807 O ARG A 107 -8.566 -7.025 -6.374 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.387 -9.355 -6.914 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.282 -10.069 -7.672 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.627 -11.144 -6.820 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.557 -12.218 -6.477 1.00 0.35 N ATOM 1812 CZ ARG A 107 -5.790 -13.271 -7.256 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -5.193 -13.378 -8.437 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -6.630 -14.217 -6.859 1.00 1.02 N ATOM 0 H ARG A 107 -6.521 -6.441 -7.409 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.434 -8.872 -8.730 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.950 -8.805 -6.081 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -7.063 -10.096 -6.487 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.692 -10.519 -8.576 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.530 -9.346 -7.988 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.774 -11.561 -7.356 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -4.240 -10.695 -5.905 1.00 0.27 H new ATOM 0 HE ARG A 107 -6.056 -12.157 -5.590 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -4.551 -12.650 -8.752 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -5.376 -14.188 -9.029 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -7.098 -14.138 -5.956 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -6.808 -15.024 -7.457 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.505 -8.850 -7.290 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.807 -8.627 -6.680 1.00 0.12 C ATOM 1830 C VAL A 108 -11.107 -9.703 -5.645 1.00 0.12 C ATOM 1831 O VAL A 108 -11.358 -10.857 -5.989 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.934 -8.613 -7.732 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.283 -8.382 -7.067 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.662 -7.553 -8.788 1.00 0.61 C ATOM 0 H VAL A 108 -9.452 -9.682 -7.877 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.769 -7.651 -6.196 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.961 -9.585 -8.224 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -14.066 -8.375 -7.825 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.478 -9.181 -6.352 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.273 -7.424 -6.547 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.467 -7.557 -9.523 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.608 -6.573 -8.314 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.716 -7.769 -9.285 1.00 0.61 H new ATOM 1844 N LEU A 109 -11.077 -9.316 -4.377 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.344 -10.250 -3.293 1.00 0.12 C ATOM 1846 C LEU A 109 -12.786 -10.150 -2.838 1.00 0.12 C ATOM 1847 O LEU A 109 -13.457 -9.150 -3.077 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.426 -9.971 -2.106 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.950 -10.281 -2.338 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.357 -9.315 -3.350 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -8.189 -10.223 -1.023 1.00 0.14 C ATOM 0 H LEU A 109 -10.871 -8.364 -4.075 1.00 0.12 H new ATOM 0 HA LEU A 109 -11.156 -11.256 -3.669 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.521 -8.920 -1.833 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.774 -10.555 -1.254 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.862 -11.290 -2.742 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.304 -9.550 -3.504 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.891 -9.406 -4.296 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.450 -8.295 -2.977 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -7.137 -10.446 -1.201 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.281 -9.226 -0.593 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.603 -10.956 -0.330 1.00 0.14 H new ATOM 1863 N GLU A 110 -13.258 -11.197 -2.183 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.614 -11.220 -1.672 1.00 0.13 C ATOM 1865 C GLU A 110 -14.609 -10.753 -0.228 1.00 0.12 C ATOM 1866 O GLU A 110 -13.604 -10.897 0.465 1.00 0.12 O ATOM 1867 CB GLU A 110 -15.207 -12.627 -1.762 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.700 -13.428 -2.951 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.450 -14.733 -3.136 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -15.037 -15.746 -2.533 1.00 0.34 O ATOM 1871 OE2 GLU A 110 -16.450 -14.742 -3.885 1.00 0.33 O ATOM 0 H GLU A 110 -12.720 -12.042 -1.993 1.00 0.13 H new ATOM 0 HA GLU A 110 -15.230 -10.554 -2.276 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.976 -13.169 -0.845 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -16.293 -12.551 -1.822 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.794 -12.828 -3.856 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.639 -13.639 -2.817 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.718 -10.204 0.237 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.798 -9.720 1.611 1.00 0.13 C ATOM 1880 C GLN A 111 -15.244 -10.757 2.580 1.00 0.12 C ATOM 1881 O GLN A 111 -14.469 -10.432 3.480 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.242 -9.375 1.966 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.455 -9.099 3.442 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.681 -8.257 3.714 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.792 -8.772 3.840 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.480 -6.951 3.822 1.00 0.31 N ATOM 0 H GLN A 111 -16.571 -10.081 -0.309 1.00 0.13 H new ATOM 0 HA GLN A 111 -15.193 -8.817 1.695 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.549 -8.500 1.393 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.889 -10.198 1.662 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.546 -10.046 3.974 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.577 -8.592 3.842 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.541 -6.569 3.710 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.264 -6.329 4.017 1.00 0.31 H new ATOM 1895 N SER A 112 -15.638 -12.003 2.385 1.00 0.13 N ATOM 1896 CA SER A 112 -15.163 -13.080 3.234 1.00 0.14 C ATOM 1897 C SER A 112 -13.643 -13.144 3.180 1.00 0.14 C ATOM 1898 O SER A 112 -12.983 -13.402 4.188 1.00 0.16 O ATOM 1899 CB SER A 112 -15.765 -14.415 2.794 1.00 0.16 C ATOM 1900 OG SER A 112 -17.168 -14.436 2.998 1.00 0.95 O ATOM 0 H SER A 112 -16.283 -12.293 1.650 1.00 0.13 H new ATOM 0 HA SER A 112 -15.476 -12.885 4.260 1.00 0.14 H new ATOM 0 HB2 SER A 112 -15.545 -14.586 1.740 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.301 -15.228 3.353 1.00 0.16 H new ATOM 0 HG SER A 112 -17.528 -15.300 2.707 1.00 0.95 H new ATOM 1906 N GLU A 113 -13.096 -12.907 1.991 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.656 -12.921 1.794 1.00 0.13 C ATOM 1908 C GLU A 113 -11.027 -11.653 2.352 1.00 0.14 C ATOM 1909 O GLU A 113 -10.108 -11.709 3.170 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.330 -13.055 0.309 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.901 -14.310 -0.325 1.00 0.18 C ATOM 1912 CD GLU A 113 -11.455 -15.578 0.376 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -10.403 -16.130 -0.008 1.00 0.31 O ATOM 1914 OE2 GLU A 113 -12.160 -16.020 1.308 1.00 0.30 O ATOM 0 H GLU A 113 -13.634 -12.703 1.149 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.244 -13.777 2.328 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.715 -12.183 -0.220 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.248 -13.053 0.181 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.990 -14.256 -0.310 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.598 -14.353 -1.371 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.531 -10.506 1.905 1.00 0.11 N ATOM 1922 CA PHE A 114 -11.021 -9.224 2.357 1.00 0.12 C ATOM 1923 C PHE A 114 -11.119 -9.129 3.871 1.00 0.13 C ATOM 1924 O PHE A 114 -10.168 -8.731 4.542 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.791 -8.079 1.699 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.291 -6.725 2.102 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -11.811 -6.087 3.214 1.00 0.14 C ATOM 1928 CD2 PHE A 114 -10.298 -6.093 1.373 1.00 0.12 C ATOM 1929 CE1 PHE A 114 -11.349 -4.843 3.593 1.00 0.15 C ATOM 1930 CE2 PHE A 114 -9.831 -4.849 1.749 1.00 0.13 C ATOM 1931 CZ PHE A 114 -10.357 -4.224 2.859 1.00 0.14 C ATOM 0 H PHE A 114 -12.293 -10.443 1.230 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.973 -9.143 2.067 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.721 -8.178 0.616 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.846 -8.162 1.959 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -12.587 -6.568 3.792 1.00 0.14 H new ATOM 0 HD2 PHE A 114 -9.884 -6.578 0.501 1.00 0.12 H new ATOM 0 HE1 PHE A 114 -11.763 -4.354 4.463 1.00 0.15 H new ATOM 0 HE2 PHE A 114 -9.055 -4.366 1.174 1.00 0.13 H new ATOM 0 HZ PHE A 114 -9.993 -3.251 3.154 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.278 -9.496 4.405 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.495 -9.478 5.845 1.00 0.14 C ATOM 1943 C GLU A 115 -11.466 -10.359 6.527 1.00 0.15 C ATOM 1944 O GLU A 115 -11.008 -10.076 7.634 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.893 -9.987 6.176 1.00 0.14 C ATOM 1946 CG GLU A 115 -14.999 -9.011 5.836 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.376 -9.579 6.113 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.613 -10.758 5.772 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.222 -8.845 6.666 1.00 0.66 O ATOM 0 H GLU A 115 -13.082 -9.810 3.861 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.396 -8.453 6.201 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.066 -10.919 5.638 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.942 -10.220 7.240 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.863 -8.097 6.414 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -14.927 -8.737 4.784 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.116 -11.436 5.842 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.146 -12.391 6.344 1.00 0.15 C ATOM 1958 C ALA A 116 -8.717 -11.856 6.234 1.00 0.16 C ATOM 1959 O ALA A 116 -7.773 -12.492 6.703 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.285 -13.700 5.583 1.00 0.17 C ATOM 0 H ALA A 116 -11.496 -11.671 4.925 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.347 -12.560 7.402 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.557 -14.419 5.959 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.291 -14.096 5.722 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -10.107 -13.525 4.522 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.561 -10.686 5.615 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.245 -10.086 5.446 1.00 0.18 C ATOM 1968 C LEU A 117 -7.172 -8.711 6.101 1.00 0.19 C ATOM 1969 O LEU A 117 -6.131 -8.320 6.629 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.917 -9.975 3.957 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.995 -11.292 3.189 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.933 -11.047 1.690 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.876 -12.224 3.627 1.00 0.23 C ATOM 0 H LEU A 117 -9.329 -10.139 5.225 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.513 -10.728 5.935 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.603 -9.262 3.500 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.913 -9.566 3.849 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.950 -11.766 3.414 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.990 -11.999 1.163 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.769 -10.415 1.390 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.995 -10.550 1.441 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.943 -13.159 3.072 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.913 -11.754 3.430 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.969 -12.428 4.694 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.281 -7.981 6.070 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.328 -6.650 6.653 1.00 0.14 C ATOM 1987 C TYR A 118 -8.049 -6.698 8.150 1.00 0.20 C ATOM 1988 O TYR A 118 -8.612 -7.518 8.874 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.685 -5.997 6.395 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.667 -4.500 6.582 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.710 -3.726 5.943 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.593 -3.861 7.396 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.672 -2.356 6.107 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.565 -2.490 7.564 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.601 -1.742 6.917 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.565 -0.377 7.083 1.00 0.33 O ATOM 0 H TYR A 118 -9.157 -8.290 5.648 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.552 -6.051 6.177 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -10.004 -6.226 5.378 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.425 -6.432 7.067 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -7.981 -4.204 5.305 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.346 -4.444 7.905 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -7.918 -1.769 5.603 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.293 -2.006 8.198 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.030 -0.136 7.912 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.176 -5.805 8.606 1.00 0.22 N ATOM 2007 CA GLN A 119 -6.810 -5.744 10.016 1.00 0.29 C ATOM 2008 C GLN A 119 -7.516 -4.590 10.733 1.00 0.26 C ATOM 2009 O GLN A 119 -7.211 -4.295 11.889 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.295 -5.586 10.155 1.00 0.36 C ATOM 2011 CG GLN A 119 -4.503 -6.501 9.234 1.00 0.56 C ATOM 2012 CD GLN A 119 -4.447 -7.930 9.731 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -5.303 -8.751 9.402 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -3.432 -8.234 10.531 1.00 0.36 N ATOM 0 H GLN A 119 -6.709 -5.114 8.019 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.128 -6.676 10.483 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.025 -4.551 9.946 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.010 -5.788 11.188 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -4.951 -6.484 8.240 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -3.488 -6.117 9.133 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -2.745 -7.521 10.777 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -3.339 -9.181 10.899 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.458 -3.938 10.051 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.171 -2.824 10.656 1.00 0.25 C ATOM 2025 C GLY A 120 -8.430 -1.505 10.515 1.00 0.22 C ATOM 2026 O GLY A 120 -8.989 -0.443 10.782 1.00 0.35 O ATOM 0 H GLY A 120 -8.738 -4.160 9.096 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.154 -2.734 10.195 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.333 -3.033 11.713 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.169 -1.571 10.092 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.358 -0.377 9.918 1.00 0.18 C ATOM 2032 C HIS A 121 -5.929 -0.224 8.468 1.00 0.17 C ATOM 2033 O HIS A 121 -5.602 -1.205 7.798 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.125 -0.432 10.819 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.406 -0.039 12.233 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -5.228 -0.887 13.305 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.852 1.129 12.749 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.554 -0.258 14.420 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.936 0.967 14.109 1.00 0.29 N ATOM 0 H HIS A 121 -6.690 -2.442 9.864 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.964 0.485 10.197 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.718 -1.443 10.805 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.357 0.226 10.412 1.00 0.21 H new ATOM 0 HD1 HIS A 121 -4.896 -1.850 13.246 1.00 0.29 H new ATOM 0 HD2 HIS A 121 -6.096 2.023 12.194 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.515 -0.675 15.416 1.00 0.32 H new ATOM 2048 N ILE A 122 -5.933 1.010 7.986 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.545 1.283 6.613 1.00 0.08 C ATOM 2050 C ILE A 122 -4.787 2.601 6.509 1.00 0.08 C ATOM 2051 O ILE A 122 -5.027 3.530 7.281 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.775 1.309 5.683 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.333 1.250 4.225 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.622 2.549 5.938 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.443 0.851 3.279 1.00 0.12 C ATOM 0 H ILE A 122 -6.200 1.834 8.524 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.885 0.476 6.294 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.388 0.434 5.897 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -5.947 2.226 3.930 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.511 0.540 4.130 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.483 2.545 5.270 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.965 2.549 6.973 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -7.025 3.442 5.754 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.061 0.829 2.258 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.814 -0.138 3.549 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.256 1.574 3.346 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.876 2.673 5.549 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.078 3.870 5.347 1.00 0.08 C ATOM 2069 C ILE A 123 -3.568 4.656 4.139 1.00 0.08 C ATOM 2070 O ILE A 123 -3.503 4.182 3.005 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.593 3.513 5.168 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.090 2.797 6.417 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.763 4.760 4.895 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.291 2.202 6.268 1.00 0.10 C ATOM 0 H ILE A 123 -3.672 1.915 4.898 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.187 4.492 6.235 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.490 2.851 4.308 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.084 3.501 7.249 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.791 2.003 6.676 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.283 4.481 4.772 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.119 5.242 3.985 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.858 5.451 5.733 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.578 1.711 7.198 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.287 1.473 5.458 1.00 0.10 H new ATOM 0 HD13 ILE A 123 1.005 2.993 6.041 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.059 5.861 4.395 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.562 6.719 3.334 1.00 0.09 C ATOM 2088 C LEU A 124 -3.442 7.598 2.793 1.00 0.09 C ATOM 2089 O LEU A 124 -2.735 8.258 3.555 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.712 7.582 3.856 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.853 6.802 4.518 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.923 7.752 5.034 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.453 5.801 3.542 1.00 0.13 C ATOM 0 H LEU A 124 -4.119 6.266 5.329 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.935 6.094 2.523 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.313 8.296 4.576 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.119 8.160 3.026 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.445 6.253 5.366 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.724 7.179 5.500 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.486 8.428 5.768 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.327 8.331 4.203 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.261 5.257 4.030 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.844 6.330 2.673 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.684 5.098 3.223 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.280 7.602 1.475 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.231 8.391 0.845 1.00 0.11 C ATOM 2107 C ILE A 125 -2.805 9.504 -0.020 1.00 0.12 C ATOM 2108 O ILE A 125 -3.901 9.391 -0.570 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.298 7.506 -0.012 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.608 6.465 0.867 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.262 8.348 -0.750 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.438 5.223 1.100 1.00 0.11 C ATOM 0 H ILE A 125 -3.859 7.070 0.825 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.653 8.840 1.653 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.906 6.995 -0.758 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.336 6.179 0.404 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.367 6.917 1.829 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.379 7.697 -1.344 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.769 9.055 -1.406 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.345 8.894 -0.028 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.884 4.529 1.732 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.372 5.496 1.592 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.657 4.747 0.144 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.038 10.577 -0.130 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.420 11.730 -0.924 1.00 0.14 C ATOM 2126 C ALA A 126 -1.174 12.451 -1.415 1.00 0.13 C ATOM 2127 O ALA A 126 -0.076 12.212 -0.915 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.292 12.671 -0.109 1.00 0.17 C ATOM 0 H ALA A 126 -1.132 10.671 0.330 1.00 0.12 H new ATOM 0 HA ALA A 126 -2.996 11.392 -1.785 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.569 13.530 -0.719 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.193 12.147 0.211 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.740 13.011 0.767 1.00 0.17 H new ATOM 2134 N SER A 127 -1.340 13.326 -2.393 1.00 0.19 N ATOM 2135 CA SER A 127 -0.212 14.067 -2.934 1.00 0.19 C ATOM 2136 C SER A 127 -0.496 15.561 -2.973 1.00 0.26 C ATOM 2137 O SER A 127 -1.604 15.991 -3.291 1.00 0.28 O ATOM 2138 CB SER A 127 0.135 13.561 -4.334 1.00 0.23 C ATOM 2139 OG SER A 127 1.190 14.316 -4.902 1.00 0.27 O ATOM 0 H SER A 127 -2.238 13.540 -2.826 1.00 0.19 H new ATOM 0 HA SER A 127 0.640 13.903 -2.274 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.422 12.511 -4.284 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.745 13.621 -4.974 1.00 0.23 H new ATOM 0 HG SER A 127 1.394 13.971 -5.796 1.00 0.27 H new