USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -0.302 K(o=-2.5,f=-6.3) USER MOD Set 1.2: A 105 ASN : amide:sc= -2.19! C(o=-2.5!,f=-6.3!) USER MOD Single : A 9 TYR OH : rot -88:sc= 1.3 USER MOD Single : A 12 TYR OH : rot 30:sc= -2.35 USER MOD Single : A 19 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.1) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.866 USER MOD Single : A 21 HIS : no HD1:sc= -4.76 K(o=-4.8,f=-7.3!) USER MOD Single : A 22 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.076) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.41! K(o=-2.4!,f=-3.6) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 1.16 (180deg=1.07) 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 -20:sc= 1.11 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.0684 (180deg=-0.44) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -113:sc= -1.43! USER MOD Single : A 68 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.73!) USER MOD Single : A 71 SER OG : rot -131:sc= 0.24 USER MOD Single : A 83 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-9.3!) USER MOD Single : A 87 THR OG1 : rot -35:sc= -3.29! 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+ -158:sc= 0.986 (180deg=-0.827!) USER MOD Single : A 94 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.4) USER MOD Single : A 96 TYR OH : rot 38:sc= -2.67! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -141:sc= -0.568! USER MOD Single : A 119 GLN : amide:sc= -1.38 K(o=-1.4,f=-7.4!) USER MOD Single : A 121 HIS : no HE2:sc= -2.47 X(o=-2.5,f=-2.4!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.053 -8.846 -1.631 1.00 0.35 N ATOM 147 CA ILE A 7 10.930 -7.967 -1.906 1.00 0.28 C ATOM 148 C ILE A 7 10.270 -7.479 -0.627 1.00 0.24 C ATOM 149 O ILE A 7 10.227 -8.187 0.379 1.00 0.31 O ATOM 150 CB ILE A 7 9.873 -8.671 -2.771 1.00 0.29 C ATOM 151 CG1 ILE A 7 10.517 -9.217 -4.044 1.00 0.36 C ATOM 152 CG2 ILE A 7 8.741 -7.713 -3.110 1.00 0.27 C ATOM 153 CD1 ILE A 7 9.552 -9.969 -4.933 1.00 0.43 C ATOM 0 HA ILE A 7 11.333 -7.110 -2.446 1.00 0.28 H new ATOM 0 HB ILE A 7 9.456 -9.505 -2.207 1.00 0.29 H new ATOM 0 HG12 ILE A 7 10.948 -8.389 -4.607 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.339 -9.879 -3.771 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.001 -8.227 -3.723 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.272 -7.364 -2.190 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.139 -6.860 -3.660 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.077 -10.328 -5.818 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.139 -10.817 -4.387 1.00 0.43 H new ATOM 0 HD13 ILE A 7 8.743 -9.304 -5.236 1.00 0.43 H new ATOM 165 N ASP A 8 9.758 -6.258 -0.679 1.00 0.19 N ATOM 166 CA ASP A 8 9.086 -5.654 0.458 1.00 0.16 C ATOM 167 C ASP A 8 7.780 -5.010 0.009 1.00 0.14 C ATOM 168 O ASP A 8 7.772 -3.898 -0.519 1.00 0.14 O ATOM 169 CB ASP A 8 9.993 -4.613 1.113 1.00 0.19 C ATOM 170 CG ASP A 8 11.289 -5.215 1.620 1.00 1.13 C ATOM 171 OD1 ASP A 8 11.319 -5.668 2.784 1.00 1.06 O ATOM 172 OD2 ASP A 8 12.275 -5.233 0.854 1.00 2.04 O ATOM 0 H ASP A 8 9.797 -5.662 -1.506 1.00 0.19 H new ATOM 0 HA ASP A 8 8.861 -6.430 1.190 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.218 -3.826 0.393 1.00 0.19 H new ATOM 0 HB3 ASP A 8 9.464 -4.144 1.943 1.00 0.19 H new ATOM 177 N TYR A 9 6.678 -5.717 0.224 1.00 0.12 N ATOM 178 CA TYR A 9 5.364 -5.232 -0.173 1.00 0.12 C ATOM 179 C TYR A 9 5.132 -3.815 0.325 1.00 0.11 C ATOM 180 O TYR A 9 4.521 -2.999 -0.363 1.00 0.12 O ATOM 181 CB TYR A 9 4.280 -6.163 0.357 1.00 0.14 C ATOM 182 CG TYR A 9 4.589 -7.618 0.122 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.165 -8.039 -1.066 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.296 -8.572 1.086 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.443 -9.373 -1.291 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.571 -9.908 0.873 1.00 0.27 C ATOM 187 CZ TYR A 9 5.176 -10.299 -0.308 1.00 0.23 C ATOM 188 OH TYR A 9 5.418 -11.635 -0.537 1.00 0.27 O ATOM 0 H TYR A 9 6.669 -6.633 0.673 1.00 0.12 H new ATOM 0 HA TYR A 9 5.320 -5.219 -1.262 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.153 -5.992 1.426 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.332 -5.917 -0.120 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.400 -7.312 -1.829 1.00 0.15 H new ATOM 0 HD2 TYR A 9 3.845 -8.264 2.018 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.867 -9.688 -2.233 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.316 -10.642 1.623 1.00 0.27 H new ATOM 0 HH TYR A 9 4.628 -12.045 -0.946 1.00 0.27 H new ATOM 198 N GLY A 10 5.622 -3.521 1.522 1.00 0.10 N ATOM 199 CA GLY A 10 5.457 -2.192 2.058 1.00 0.11 C ATOM 200 C GLY A 10 6.111 -1.168 1.164 1.00 0.10 C ATOM 201 O GLY A 10 5.454 -0.265 0.652 1.00 0.12 O ATOM 0 H GLY A 10 6.125 -4.174 2.123 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.396 -1.966 2.161 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.892 -2.141 3.056 1.00 0.11 H new ATOM 205 N LEU A 11 7.406 -1.335 0.939 1.00 0.10 N ATOM 206 CA LEU A 11 8.146 -0.426 0.084 1.00 0.11 C ATOM 207 C LEU A 11 7.517 -0.399 -1.296 1.00 0.11 C ATOM 208 O LEU A 11 7.382 0.657 -1.914 1.00 0.16 O ATOM 209 CB LEU A 11 9.602 -0.862 -0.017 1.00 0.13 C ATOM 210 CG LEU A 11 10.516 0.115 -0.748 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.528 1.463 -0.039 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.919 -0.458 -0.847 1.00 0.23 C ATOM 0 H LEU A 11 7.963 -2.091 1.337 1.00 0.10 H new ATOM 0 HA LEU A 11 8.111 0.574 0.516 1.00 0.11 H new ATOM 0 HB2 LEU A 11 9.990 -1.016 0.990 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.643 -1.825 -0.526 1.00 0.13 H new ATOM 0 HG LEU A 11 10.135 0.268 -1.758 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.185 2.149 -0.573 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.518 1.871 -0.017 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.890 1.334 0.981 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.564 0.247 -1.371 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.312 -0.634 0.154 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.890 -1.399 -1.396 1.00 0.23 H new ATOM 224 N TYR A 12 7.130 -1.576 -1.770 1.00 0.09 N ATOM 225 CA TYR A 12 6.499 -1.701 -3.070 1.00 0.09 C ATOM 226 C TYR A 12 5.210 -0.899 -3.088 1.00 0.09 C ATOM 227 O TYR A 12 4.945 -0.144 -4.022 1.00 0.12 O ATOM 228 CB TYR A 12 6.217 -3.167 -3.383 1.00 0.09 C ATOM 229 CG TYR A 12 5.654 -3.391 -4.766 1.00 0.10 C ATOM 230 CD1 TYR A 12 5.998 -2.552 -5.816 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.784 -4.443 -5.021 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.489 -2.755 -7.083 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.271 -4.652 -6.285 1.00 0.12 C ATOM 234 CZ TYR A 12 4.610 -3.804 -7.307 1.00 0.15 C ATOM 235 OH TYR A 12 4.119 -4.011 -8.574 1.00 0.18 O ATOM 0 H TYR A 12 7.244 -2.458 -1.270 1.00 0.09 H new ATOM 0 HA TYR A 12 7.172 -1.311 -3.834 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.141 -3.737 -3.279 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.516 -3.559 -2.646 1.00 0.09 H new ATOM 0 HD1 TYR A 12 6.674 -1.728 -5.640 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.504 -5.108 -4.217 1.00 0.10 H new ATOM 0 HE1 TYR A 12 5.773 -2.101 -7.894 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.604 -5.482 -6.468 1.00 0.12 H new ATOM 0 HH TYR A 12 4.779 -3.712 -9.234 1.00 0.18 H new ATOM 245 N ALA A 13 4.413 -1.070 -2.040 1.00 0.10 N ATOM 246 CA ALA A 13 3.162 -0.344 -1.916 1.00 0.12 C ATOM 247 C ALA A 13 3.441 1.147 -1.919 1.00 0.12 C ATOM 248 O ALA A 13 2.696 1.932 -2.503 1.00 0.13 O ATOM 249 CB ALA A 13 2.438 -0.747 -0.643 1.00 0.13 C ATOM 0 H ALA A 13 4.613 -1.705 -1.267 1.00 0.10 H new ATOM 0 HA ALA A 13 2.520 -0.589 -2.762 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.502 -0.193 -0.566 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.226 -1.816 -0.668 1.00 0.13 H new ATOM 0 HB3 ALA A 13 3.065 -0.521 0.219 1.00 0.13 H new ATOM 255 N LEU A 14 4.531 1.525 -1.261 1.00 0.11 N ATOM 256 CA LEU A 14 4.934 2.917 -1.201 1.00 0.11 C ATOM 257 C LEU A 14 5.283 3.395 -2.598 1.00 0.12 C ATOM 258 O LEU A 14 4.856 4.462 -3.032 1.00 0.14 O ATOM 259 CB LEU A 14 6.143 3.083 -0.280 1.00 0.12 C ATOM 260 CG LEU A 14 6.134 4.331 0.607 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.536 4.636 1.104 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.563 5.530 -0.137 1.00 0.10 C ATOM 0 H LEU A 14 5.149 0.884 -0.763 1.00 0.11 H new ATOM 0 HA LEU A 14 4.111 3.511 -0.803 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.212 2.204 0.361 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.044 3.102 -0.893 1.00 0.12 H new ATOM 0 HG LEU A 14 5.492 4.130 1.465 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.513 5.526 1.733 1.00 0.11 H new ATOM 0 HD12 LEU A 14 7.908 3.791 1.683 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.194 4.810 0.253 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.569 6.401 0.518 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.171 5.734 -1.019 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.540 5.314 -0.444 1.00 0.10 H new ATOM 274 N GLU A 15 6.072 2.585 -3.292 1.00 0.11 N ATOM 275 CA GLU A 15 6.476 2.887 -4.655 1.00 0.13 C ATOM 276 C GLU A 15 5.251 3.041 -5.539 1.00 0.13 C ATOM 277 O GLU A 15 5.088 4.042 -6.230 1.00 0.15 O ATOM 278 CB GLU A 15 7.346 1.761 -5.202 1.00 0.14 C ATOM 279 CG GLU A 15 8.661 1.593 -4.471 1.00 0.16 C ATOM 280 CD GLU A 15 9.246 0.204 -4.650 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.738 -0.096 -5.757 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.212 -0.584 -3.681 1.00 0.35 O ATOM 0 H GLU A 15 6.446 1.708 -2.928 1.00 0.11 H new ATOM 0 HA GLU A 15 7.042 3.818 -4.652 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.789 0.826 -5.148 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.549 1.951 -6.256 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.373 2.334 -4.834 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.511 1.788 -3.409 1.00 0.16 H new ATOM 289 N ILE A 16 4.387 2.036 -5.496 1.00 0.11 N ATOM 290 CA ILE A 16 3.169 2.035 -6.284 1.00 0.12 C ATOM 291 C ILE A 16 2.349 3.278 -5.998 1.00 0.11 C ATOM 292 O ILE A 16 1.919 3.983 -6.911 1.00 0.14 O ATOM 293 CB ILE A 16 2.326 0.792 -5.972 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.141 -0.469 -6.247 1.00 0.13 C ATOM 295 CG2 ILE A 16 1.043 0.796 -6.784 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.742 -1.639 -5.382 1.00 0.25 C ATOM 0 H ILE A 16 4.512 1.205 -4.917 1.00 0.11 H new ATOM 0 HA ILE A 16 3.451 2.024 -7.337 1.00 0.12 H new ATOM 0 HB ILE A 16 2.052 0.807 -4.917 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.027 -0.746 -7.295 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.197 -0.252 -6.088 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.460 -0.094 -6.548 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.462 1.686 -6.541 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.285 0.799 -7.847 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.360 -2.502 -5.629 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.883 -1.380 -4.333 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.694 -1.881 -5.559 1.00 0.25 H new ATOM 308 N LEU A 17 2.136 3.539 -4.717 1.00 0.10 N ATOM 309 CA LEU A 17 1.381 4.702 -4.297 1.00 0.10 C ATOM 310 C LEU A 17 2.137 5.957 -4.687 1.00 0.11 C ATOM 311 O LEU A 17 1.550 6.948 -5.119 1.00 0.16 O ATOM 312 CB LEU A 17 1.157 4.660 -2.789 1.00 0.10 C ATOM 313 CG LEU A 17 0.329 3.475 -2.306 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.551 3.239 -0.823 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.143 3.708 -2.604 1.00 0.12 C ATOM 0 H LEU A 17 2.478 2.958 -3.952 1.00 0.10 H new ATOM 0 HA LEU A 17 0.408 4.705 -4.789 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.126 4.637 -2.291 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.663 5.582 -2.482 1.00 0.10 H new ATOM 0 HG LEU A 17 0.651 2.581 -2.841 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.048 2.389 -0.496 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.605 3.031 -0.642 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.255 4.127 -0.265 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.724 2.855 -2.254 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.479 4.610 -2.093 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.282 3.826 -3.679 1.00 0.12 H new ATOM 327 N ALA A 18 3.454 5.897 -4.545 1.00 0.08 N ATOM 328 CA ALA A 18 4.304 7.018 -4.892 1.00 0.10 C ATOM 329 C ALA A 18 4.211 7.287 -6.383 1.00 0.12 C ATOM 330 O ALA A 18 4.145 8.431 -6.824 1.00 0.14 O ATOM 331 CB ALA A 18 5.745 6.747 -4.489 1.00 0.11 C ATOM 0 H ALA A 18 3.954 5.081 -4.191 1.00 0.08 H new ATOM 0 HA ALA A 18 3.963 7.899 -4.349 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.365 7.602 -4.759 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.798 6.586 -3.412 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.107 5.858 -5.007 1.00 0.11 H new ATOM 337 N GLN A 19 4.204 6.211 -7.154 1.00 0.14 N ATOM 338 CA GLN A 19 4.101 6.308 -8.599 1.00 0.16 C ATOM 339 C GLN A 19 2.673 6.637 -8.991 1.00 0.16 C ATOM 340 O GLN A 19 2.425 7.299 -9.999 1.00 0.18 O ATOM 341 CB GLN A 19 4.532 5.001 -9.251 1.00 0.20 C ATOM 342 CG GLN A 19 6.006 4.696 -9.078 1.00 0.23 C ATOM 343 CD GLN A 19 6.481 3.579 -9.988 1.00 0.32 C ATOM 344 OE1 GLN A 19 5.962 3.398 -11.090 1.00 0.80 O ATOM 345 NE2 GLN A 19 7.468 2.819 -9.529 1.00 0.40 N ATOM 0 H GLN A 19 4.269 5.257 -6.800 1.00 0.14 H new ATOM 0 HA GLN A 19 4.761 7.103 -8.946 1.00 0.16 H new ATOM 0 HB2 GLN A 19 3.948 4.184 -8.828 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.300 5.041 -10.315 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.586 5.596 -9.281 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.197 4.421 -8.041 1.00 0.23 H new ATOM 0 HE21 GLN A 19 7.869 3.004 -8.610 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.825 2.050 -10.096 1.00 0.40 H new ATOM 354 N TYR A 20 1.734 6.168 -8.180 1.00 0.16 N ATOM 355 CA TYR A 20 0.328 6.426 -8.422 1.00 0.17 C ATOM 356 C TYR A 20 0.072 7.920 -8.345 1.00 0.16 C ATOM 357 O TYR A 20 -0.779 8.462 -9.050 1.00 0.17 O ATOM 358 CB TYR A 20 -0.526 5.695 -7.391 1.00 0.19 C ATOM 359 CG TYR A 20 -1.993 6.030 -7.482 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.823 5.350 -8.361 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.547 7.023 -6.687 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.169 5.650 -8.446 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.890 7.329 -6.765 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.694 6.654 -7.657 1.00 0.30 C ATOM 365 OH TYR A 20 -6.037 6.945 -7.727 1.00 0.36 O ATOM 0 H TYR A 20 1.924 5.607 -7.350 1.00 0.16 H new ATOM 0 HA TYR A 20 0.060 6.063 -9.414 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.398 4.620 -7.520 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.166 5.941 -6.392 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.411 4.574 -8.989 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -1.917 7.565 -5.997 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.806 5.103 -9.125 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.309 8.095 -6.129 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.246 7.675 -7.108 1.00 0.36 H new ATOM 375 N HIS A 21 0.829 8.576 -7.474 1.00 0.14 N ATOM 376 CA HIS A 21 0.724 10.013 -7.288 1.00 0.15 C ATOM 377 C HIS A 21 1.752 10.759 -8.135 1.00 0.16 C ATOM 378 O HIS A 21 1.747 11.988 -8.183 1.00 0.20 O ATOM 379 CB HIS A 21 0.919 10.362 -5.817 1.00 0.18 C ATOM 380 CG HIS A 21 -0.283 10.071 -4.978 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.331 10.953 -4.902 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.560 8.987 -4.215 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.218 10.392 -4.103 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.796 9.199 -3.661 1.00 0.23 N ATOM 0 H HIS A 21 1.528 8.128 -6.881 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.271 10.322 -7.609 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.770 9.803 -5.427 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.166 11.420 -5.731 1.00 0.18 H new ATOM 0 HD2 HIS A 21 0.071 8.122 -4.071 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.165 10.838 -3.838 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.298 8.570 -3.034 1.00 0.23 H new ATOM 392 N ASN A 22 2.635 10.011 -8.800 1.00 0.15 N ATOM 393 CA ASN A 22 3.663 10.605 -9.641 1.00 0.18 C ATOM 394 C ASN A 22 4.731 11.261 -8.782 1.00 0.19 C ATOM 395 O ASN A 22 5.362 12.238 -9.185 1.00 0.21 O ATOM 396 CB ASN A 22 3.056 11.629 -10.600 1.00 0.20 C ATOM 397 CG ASN A 22 1.855 11.084 -11.352 1.00 0.87 C ATOM 398 OD1 ASN A 22 0.915 11.819 -11.654 1.00 1.35 O ATOM 399 ND2 ASN A 22 1.883 9.795 -11.665 1.00 1.28 N ATOM 0 H ASN A 22 2.654 8.992 -8.769 1.00 0.15 H new ATOM 0 HA ASN A 22 4.122 9.812 -10.231 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.757 12.514 -10.039 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.815 11.946 -11.315 1.00 0.20 H new ATOM 0 HD21 ASN A 22 1.105 9.377 -12.176 1.00 1.28 H new ATOM 0 HD22 ASN A 22 2.682 9.222 -11.395 1.00 1.28 H new ATOM 406 N VAL A 23 4.925 10.710 -7.592 1.00 0.19 N ATOM 407 CA VAL A 23 5.913 11.224 -6.661 1.00 0.22 C ATOM 408 C VAL A 23 7.128 10.306 -6.612 1.00 0.25 C ATOM 409 O VAL A 23 7.000 9.089 -6.481 1.00 0.35 O ATOM 410 CB VAL A 23 5.315 11.389 -5.250 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.618 10.118 -4.814 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.381 11.785 -4.243 1.00 0.26 C ATOM 0 H VAL A 23 4.406 9.902 -7.249 1.00 0.19 H new ATOM 0 HA VAL A 23 6.226 12.206 -7.015 1.00 0.22 H new ATOM 0 HB VAL A 23 4.579 12.192 -5.292 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.203 10.255 -3.816 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.814 9.886 -5.513 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.335 9.297 -4.799 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.928 11.894 -3.258 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.151 11.014 -4.206 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.830 12.732 -4.542 1.00 0.26 H new ATOM 422 N SER A 24 8.304 10.907 -6.725 1.00 0.22 N ATOM 423 CA SER A 24 9.553 10.161 -6.709 1.00 0.25 C ATOM 424 C SER A 24 9.609 9.197 -5.533 1.00 0.27 C ATOM 425 O SER A 24 8.915 9.374 -4.532 1.00 0.49 O ATOM 426 CB SER A 24 10.739 11.121 -6.643 1.00 0.35 C ATOM 427 OG SER A 24 10.773 11.972 -7.776 1.00 0.82 O ATOM 0 H SER A 24 8.419 11.915 -6.829 1.00 0.22 H new ATOM 0 HA SER A 24 9.605 9.580 -7.630 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.674 11.721 -5.736 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.667 10.553 -6.584 1.00 0.35 H new ATOM 0 HG SER A 24 11.541 12.577 -7.708 1.00 0.82 H new ATOM 433 N VAL A 25 10.442 8.176 -5.671 1.00 0.20 N ATOM 434 CA VAL A 25 10.618 7.176 -4.633 1.00 0.17 C ATOM 435 C VAL A 25 11.833 6.312 -4.928 1.00 0.18 C ATOM 436 O VAL A 25 11.908 5.666 -5.973 1.00 0.25 O ATOM 437 CB VAL A 25 9.378 6.272 -4.494 1.00 0.13 C ATOM 438 CG1 VAL A 25 9.059 5.594 -5.815 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.591 5.237 -3.398 1.00 0.15 C ATOM 0 H VAL A 25 11.012 8.019 -6.502 1.00 0.20 H new ATOM 0 HA VAL A 25 10.763 7.711 -3.694 1.00 0.17 H new ATOM 0 HB VAL A 25 8.528 6.896 -4.216 1.00 0.13 H new ATOM 0 HG11 VAL A 25 8.180 4.960 -5.696 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.860 6.351 -6.574 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.907 4.984 -6.125 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.705 4.608 -3.315 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.454 4.618 -3.645 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.767 5.743 -2.449 1.00 0.15 H new ATOM 449 N ASN A 26 12.789 6.320 -4.011 1.00 0.15 N ATOM 450 CA ASN A 26 13.993 5.528 -4.166 1.00 0.15 C ATOM 451 C ASN A 26 13.999 4.386 -3.160 1.00 0.16 C ATOM 452 O ASN A 26 14.547 4.510 -2.066 1.00 0.17 O ATOM 453 CB ASN A 26 15.228 6.405 -3.989 1.00 0.16 C ATOM 454 CG ASN A 26 16.518 5.639 -4.176 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.529 4.533 -4.718 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.618 6.237 -3.743 1.00 0.20 N ATOM 0 H ASN A 26 12.751 6.868 -3.152 1.00 0.15 H new ATOM 0 HA ASN A 26 14.012 5.106 -5.171 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.191 7.227 -4.704 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.214 6.848 -2.993 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.524 5.781 -3.853 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.559 7.154 -3.300 1.00 0.20 H new ATOM 463 N PRO A 27 13.381 3.254 -3.532 1.00 0.17 N ATOM 464 CA PRO A 27 13.299 2.076 -2.673 1.00 0.19 C ATOM 465 C PRO A 27 14.614 1.792 -1.975 1.00 0.20 C ATOM 466 O PRO A 27 14.646 1.261 -0.868 1.00 0.25 O ATOM 467 CB PRO A 27 12.965 0.964 -3.660 1.00 0.23 C ATOM 468 CG PRO A 27 12.165 1.642 -4.713 1.00 0.30 C ATOM 469 CD PRO A 27 12.718 3.033 -4.830 1.00 0.19 C ATOM 0 HA PRO A 27 12.570 2.190 -1.871 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.867 0.513 -4.073 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.399 0.164 -3.183 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.242 1.112 -5.662 1.00 0.30 H new ATOM 0 HG3 PRO A 27 11.109 1.664 -4.445 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.421 3.116 -5.659 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.929 3.764 -5.007 1.00 0.19 H new ATOM 477 N GLU A 28 15.699 2.160 -2.633 1.00 0.18 N ATOM 478 CA GLU A 28 17.024 1.954 -2.079 1.00 0.19 C ATOM 479 C GLU A 28 17.247 2.901 -0.914 1.00 0.19 C ATOM 480 O GLU A 28 17.743 2.508 0.141 1.00 0.21 O ATOM 481 CB GLU A 28 18.085 2.191 -3.153 1.00 0.21 C ATOM 482 CG GLU A 28 17.796 1.479 -4.461 1.00 0.23 C ATOM 483 CD GLU A 28 18.868 1.722 -5.506 1.00 0.72 C ATOM 484 OE1 GLU A 28 18.862 2.810 -6.120 1.00 1.24 O ATOM 485 OE2 GLU A 28 19.714 0.825 -5.708 1.00 0.70 O ATOM 0 H GLU A 28 15.688 2.603 -3.552 1.00 0.18 H new ATOM 0 HA GLU A 28 17.104 0.926 -1.725 1.00 0.19 H new ATOM 0 HB2 GLU A 28 18.166 3.261 -3.342 1.00 0.21 H new ATOM 0 HB3 GLU A 28 19.052 1.860 -2.775 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.710 0.408 -4.276 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.834 1.814 -4.848 1.00 0.23 H new ATOM 492 N GLU A 29 16.868 4.153 -1.122 1.00 0.18 N ATOM 493 CA GLU A 29 17.008 5.177 -0.103 1.00 0.18 C ATOM 494 C GLU A 29 15.962 4.990 0.980 1.00 0.16 C ATOM 495 O GLU A 29 16.250 5.127 2.169 1.00 0.20 O ATOM 496 CB GLU A 29 16.871 6.559 -0.724 1.00 0.20 C ATOM 497 CG GLU A 29 16.988 7.687 0.278 1.00 0.22 C ATOM 498 CD GLU A 29 18.381 7.810 0.862 1.00 1.02 C ATOM 499 OE1 GLU A 29 19.222 8.502 0.248 1.00 0.95 O ATOM 500 OE2 GLU A 29 18.633 7.216 1.931 1.00 1.85 O ATOM 0 H GLU A 29 16.458 4.484 -1.995 1.00 0.18 H new ATOM 0 HA GLU A 29 17.998 5.087 0.345 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.638 6.682 -1.489 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.906 6.629 -1.226 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.717 8.626 -0.205 1.00 0.22 H new ATOM 0 HG3 GLU A 29 16.273 7.526 1.085 1.00 0.22 H new ATOM 507 N ILE A 30 14.738 4.678 0.560 1.00 0.14 N ATOM 508 CA ILE A 30 13.649 4.461 1.500 1.00 0.14 C ATOM 509 C ILE A 30 14.071 3.443 2.542 1.00 0.14 C ATOM 510 O ILE A 30 13.972 3.677 3.742 1.00 0.21 O ATOM 511 CB ILE A 30 12.381 3.956 0.790 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.932 4.954 -0.273 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.269 3.711 1.799 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.599 6.317 0.288 1.00 0.28 C ATOM 0 H ILE A 30 14.479 4.571 -0.421 1.00 0.14 H new ATOM 0 HA ILE A 30 13.421 5.416 1.973 1.00 0.14 H new ATOM 0 HB ILE A 30 12.612 3.011 0.298 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.720 5.059 -1.019 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.057 4.557 -0.787 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.379 3.354 1.280 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.592 2.962 2.522 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.038 4.641 2.318 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.287 6.977 -0.521 1.00 0.28 H new ATOM 0 HD12 ILE A 30 10.790 6.224 1.013 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.479 6.734 0.778 1.00 0.28 H new ATOM 526 N LYS A 31 14.555 2.312 2.070 1.00 0.15 N ATOM 527 CA LYS A 31 15.013 1.272 2.964 1.00 0.20 C ATOM 528 C LYS A 31 16.236 1.748 3.727 1.00 0.21 C ATOM 529 O LYS A 31 16.476 1.351 4.863 1.00 0.26 O ATOM 530 CB LYS A 31 15.345 0.008 2.189 1.00 0.26 C ATOM 531 CG LYS A 31 14.136 -0.624 1.530 1.00 0.80 C ATOM 532 CD LYS A 31 14.426 -2.049 1.102 1.00 0.82 C ATOM 533 CE LYS A 31 15.618 -2.113 0.162 1.00 0.65 C ATOM 534 NZ LYS A 31 15.403 -1.290 -1.060 1.00 1.35 N ATOM 0 H LYS A 31 14.641 2.092 1.078 1.00 0.15 H new ATOM 0 HA LYS A 31 14.214 1.045 3.670 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.086 0.242 1.425 1.00 0.26 H new ATOM 0 HB3 LYS A 31 15.802 -0.715 2.865 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.294 -0.614 2.223 1.00 0.80 H new ATOM 0 HG3 LYS A 31 13.842 -0.034 0.662 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.621 -2.662 1.982 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.549 -2.468 0.609 1.00 0.82 H new ATOM 0 HE2 LYS A 31 16.510 -1.765 0.682 1.00 0.65 H new ATOM 0 HE3 LYS A 31 15.800 -3.149 -0.125 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.115 -1.539 -1.776 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 14.452 -1.473 -1.439 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 15.491 -0.282 -0.820 1.00 1.35 H new ATOM 548 N HIS A 32 17.006 2.607 3.084 1.00 0.19 N ATOM 549 CA HIS A 32 18.209 3.153 3.682 1.00 0.23 C ATOM 550 C HIS A 32 17.861 4.100 4.819 1.00 0.23 C ATOM 551 O HIS A 32 18.635 4.274 5.760 1.00 0.29 O ATOM 552 CB HIS A 32 19.011 3.905 2.624 1.00 0.25 C ATOM 553 CG HIS A 32 20.437 4.139 3.007 1.00 0.32 C ATOM 554 ND1 HIS A 32 20.906 5.350 3.470 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.502 3.306 2.990 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.200 5.252 3.719 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.585 4.021 3.436 1.00 0.44 N ATOM 0 H HIS A 32 16.817 2.943 2.140 1.00 0.19 H new ATOM 0 HA HIS A 32 18.802 2.330 4.080 1.00 0.23 H new ATOM 0 HB2 HIS A 32 18.982 3.343 1.691 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.533 4.866 2.433 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.501 2.271 2.683 1.00 0.38 H new ATOM 0 HE1 HIS A 32 22.834 6.043 4.090 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.534 3.660 3.533 1.00 0.44 H new ATOM 566 N ARG A 33 16.690 4.712 4.716 1.00 0.19 N ATOM 567 CA ARG A 33 16.233 5.666 5.711 1.00 0.21 C ATOM 568 C ARG A 33 15.236 5.068 6.694 1.00 0.21 C ATOM 569 O ARG A 33 15.238 5.414 7.876 1.00 0.27 O ATOM 570 CB ARG A 33 15.574 6.846 5.009 1.00 0.24 C ATOM 571 CG ARG A 33 16.527 7.648 4.153 1.00 0.29 C ATOM 572 CD ARG A 33 15.809 8.768 3.419 1.00 0.36 C ATOM 573 NE ARG A 33 15.065 9.633 4.330 1.00 0.47 N ATOM 574 CZ ARG A 33 15.612 10.638 5.007 1.00 0.64 C ATOM 575 NH1 ARG A 33 16.908 10.894 4.887 1.00 1.13 N ATOM 576 NH2 ARG A 33 14.864 11.386 5.806 1.00 0.71 N ATOM 0 H ARG A 33 16.037 4.562 3.947 1.00 0.19 H new ATOM 0 HA ARG A 33 17.110 5.978 6.279 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.759 6.478 4.385 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.131 7.502 5.758 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.314 8.068 4.779 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.011 6.990 3.431 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.536 9.364 2.867 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.125 8.340 2.686 1.00 0.36 H new ATOM 0 HE ARG A 33 14.068 9.456 4.454 1.00 0.47 H new ATOM 0 HH11 ARG A 33 17.487 10.319 4.274 1.00 1.13 H new ATOM 0 HH12 ARG A 33 17.326 11.666 5.407 1.00 1.13 H new ATOM 0 HH21 ARG A 33 13.867 11.191 5.902 1.00 0.71 H new ATOM 0 HH22 ARG A 33 15.285 12.157 6.325 1.00 0.71 H new ATOM 590 N PHE A 34 14.386 4.172 6.211 1.00 0.17 N ATOM 591 CA PHE A 34 13.350 3.596 7.057 1.00 0.21 C ATOM 592 C PHE A 34 13.499 2.087 7.256 1.00 0.22 C ATOM 593 O PHE A 34 13.173 1.568 8.325 1.00 0.31 O ATOM 594 CB PHE A 34 11.989 3.944 6.458 1.00 0.23 C ATOM 595 CG PHE A 34 11.845 5.416 6.191 1.00 0.21 C ATOM 596 CD1 PHE A 34 12.300 5.969 5.002 1.00 0.21 C ATOM 597 CD2 PHE A 34 11.273 6.253 7.133 1.00 0.29 C ATOM 598 CE1 PHE A 34 12.185 7.322 4.760 1.00 0.24 C ATOM 599 CE2 PHE A 34 11.157 7.609 6.897 1.00 0.29 C ATOM 600 CZ PHE A 34 11.614 8.145 5.709 1.00 0.23 C ATOM 0 H PHE A 34 14.392 3.831 5.250 1.00 0.17 H new ATOM 0 HA PHE A 34 13.447 4.026 8.054 1.00 0.21 H new ATOM 0 HB2 PHE A 34 11.852 3.393 5.528 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.201 3.621 7.139 1.00 0.23 H new ATOM 0 HD1 PHE A 34 12.750 5.331 4.256 1.00 0.21 H new ATOM 0 HD2 PHE A 34 10.913 5.841 8.064 1.00 0.29 H new ATOM 0 HE1 PHE A 34 12.541 7.737 3.829 1.00 0.24 H new ATOM 0 HE2 PHE A 34 10.709 8.250 7.642 1.00 0.29 H new ATOM 0 HZ PHE A 34 11.525 9.205 5.523 1.00 0.23 H new ATOM 610 N ASP A 35 13.985 1.380 6.244 1.00 0.19 N ATOM 611 CA ASP A 35 14.162 -0.068 6.357 1.00 0.22 C ATOM 612 C ASP A 35 15.614 -0.400 6.648 1.00 0.29 C ATOM 613 O ASP A 35 16.138 -1.412 6.188 1.00 0.34 O ATOM 614 CB ASP A 35 13.723 -0.781 5.081 1.00 0.23 C ATOM 615 CG ASP A 35 13.399 -2.243 5.311 1.00 0.28 C ATOM 616 OD1 ASP A 35 14.139 -2.902 6.070 1.00 1.10 O ATOM 617 OD2 ASP A 35 12.404 -2.731 4.734 1.00 0.94 O ATOM 0 H ASP A 35 14.261 1.776 5.346 1.00 0.19 H new ATOM 0 HA ASP A 35 13.537 -0.414 7.180 1.00 0.22 H new ATOM 0 HB2 ASP A 35 12.846 -0.279 4.672 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.513 -0.701 4.335 1.00 0.23 H new ATOM 622 N THR A 36 16.258 0.472 7.405 1.00 0.31 N ATOM 623 CA THR A 36 17.656 0.291 7.765 1.00 0.39 C ATOM 624 C THR A 36 17.917 -1.114 8.293 1.00 0.46 C ATOM 625 O THR A 36 19.037 -1.618 8.215 1.00 0.54 O ATOM 626 CB THR A 36 18.092 1.315 8.824 1.00 0.43 C ATOM 627 OG1 THR A 36 17.349 1.120 10.034 1.00 0.47 O ATOM 628 CG2 THR A 36 17.879 2.731 8.315 1.00 0.39 C ATOM 0 H THR A 36 15.833 1.318 7.785 1.00 0.31 H new ATOM 0 HA THR A 36 18.239 0.442 6.856 1.00 0.39 H new ATOM 0 HB THR A 36 19.153 1.170 9.027 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.635 1.776 10.703 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.193 3.443 9.078 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.468 2.885 7.411 1.00 0.39 H new ATOM 0 HG23 THR A 36 16.823 2.882 8.091 1.00 0.39 H new ATOM 636 N ASP A 37 16.877 -1.742 8.829 1.00 0.45 N ATOM 637 CA ASP A 37 16.997 -3.091 9.362 1.00 0.51 C ATOM 638 C ASP A 37 16.940 -4.126 8.243 1.00 0.50 C ATOM 639 O ASP A 37 17.418 -5.250 8.399 1.00 0.58 O ATOM 640 CB ASP A 37 15.890 -3.359 10.383 1.00 0.51 C ATOM 641 CG ASP A 37 16.125 -2.638 11.695 1.00 1.04 C ATOM 642 OD1 ASP A 37 16.869 -3.175 12.543 1.00 0.98 O ATOM 643 OD2 ASP A 37 15.566 -1.536 11.876 1.00 1.71 O ATOM 0 H ASP A 37 15.943 -1.338 8.905 1.00 0.45 H new ATOM 0 HA ASP A 37 17.964 -3.175 9.858 1.00 0.51 H new ATOM 0 HB2 ASP A 37 14.932 -3.046 9.967 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.822 -4.431 10.568 1.00 0.51 H new ATOM 648 N GLY A 38 16.352 -3.738 7.114 1.00 0.43 N ATOM 649 CA GLY A 38 16.246 -4.640 5.984 1.00 0.46 C ATOM 650 C GLY A 38 15.235 -5.739 6.226 1.00 0.42 C ATOM 651 O GLY A 38 15.321 -6.816 5.635 1.00 0.46 O ATOM 0 H GLY A 38 15.947 -2.814 6.963 1.00 0.43 H new ATOM 0 HA2 GLY A 38 15.962 -4.076 5.096 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.221 -5.083 5.782 1.00 0.46 H new ATOM 655 N THR A 39 14.272 -5.461 7.094 1.00 0.35 N ATOM 656 CA THR A 39 13.239 -6.430 7.425 1.00 0.33 C ATOM 657 C THR A 39 11.857 -5.942 7.000 1.00 0.30 C ATOM 658 O THR A 39 10.841 -6.491 7.427 1.00 0.41 O ATOM 659 CB THR A 39 13.223 -6.726 8.936 1.00 0.35 C ATOM 660 OG1 THR A 39 12.156 -7.630 9.248 1.00 0.65 O ATOM 661 CG2 THR A 39 13.059 -5.442 9.736 1.00 0.64 C ATOM 0 H THR A 39 14.185 -4.570 7.582 1.00 0.35 H new ATOM 0 HA THR A 39 13.476 -7.343 6.878 1.00 0.33 H new ATOM 0 HB THR A 39 14.175 -7.184 9.205 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.495 -7.618 8.525 1.00 0.65 H new ATOM 0 HG21 THR A 39 13.050 -5.675 10.801 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.889 -4.769 9.519 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.120 -4.960 9.463 1.00 0.64 H new ATOM 669 N GLY A 40 11.820 -4.912 6.159 1.00 0.22 N ATOM 670 CA GLY A 40 10.551 -4.379 5.703 1.00 0.21 C ATOM 671 C GLY A 40 10.199 -3.076 6.384 1.00 0.20 C ATOM 672 O GLY A 40 10.486 -2.889 7.567 1.00 0.32 O ATOM 0 H GLY A 40 12.644 -4.439 5.787 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.591 -4.224 4.625 1.00 0.21 H new ATOM 0 HA3 GLY A 40 9.764 -5.109 5.891 1.00 0.21 H new ATOM 676 N LEU A 41 9.577 -2.173 5.641 1.00 0.12 N ATOM 677 CA LEU A 41 9.191 -0.881 6.182 1.00 0.10 C ATOM 678 C LEU A 41 8.157 -1.036 7.284 1.00 0.10 C ATOM 679 O LEU A 41 7.116 -1.664 7.091 1.00 0.14 O ATOM 680 CB LEU A 41 8.632 0.014 5.079 1.00 0.10 C ATOM 681 CG LEU A 41 9.669 0.560 4.105 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.703 1.389 4.847 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.331 -0.576 3.349 1.00 0.14 C ATOM 0 H LEU A 41 9.329 -2.312 4.661 1.00 0.12 H new ATOM 0 HA LEU A 41 10.083 -0.418 6.604 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.888 -0.550 4.516 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.112 0.853 5.541 1.00 0.10 H new ATOM 0 HG LEU A 41 9.168 1.204 3.383 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.438 1.773 4.139 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.210 2.223 5.347 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.204 0.767 5.588 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.069 -0.171 2.657 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.824 -1.244 4.055 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.576 -1.130 2.791 1.00 0.14 H new ATOM 695 N GLY A 42 8.455 -0.467 8.440 1.00 0.09 N ATOM 696 CA GLY A 42 7.528 -0.533 9.548 1.00 0.11 C ATOM 697 C GLY A 42 6.331 0.351 9.294 1.00 0.10 C ATOM 698 O GLY A 42 6.309 1.097 8.320 1.00 0.11 O ATOM 0 H GLY A 42 9.320 0.038 8.631 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.202 -1.563 9.695 1.00 0.11 H new ATOM 0 HA3 GLY A 42 8.027 -0.223 10.466 1.00 0.11 H new ATOM 702 N LEU A 43 5.331 0.275 10.154 1.00 0.12 N ATOM 703 CA LEU A 43 4.146 1.094 9.980 1.00 0.12 C ATOM 704 C LEU A 43 4.516 2.570 10.027 1.00 0.11 C ATOM 705 O LEU A 43 4.231 3.324 9.098 1.00 0.12 O ATOM 706 CB LEU A 43 3.103 0.766 11.053 1.00 0.14 C ATOM 707 CG LEU A 43 1.759 1.485 10.907 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.815 2.853 11.565 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.369 1.616 9.440 1.00 0.14 C ATOM 0 H LEU A 43 5.315 -0.337 10.970 1.00 0.12 H new ATOM 0 HA LEU A 43 3.712 0.875 9.004 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.923 -0.309 11.044 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.522 1.011 12.029 1.00 0.14 H new ATOM 0 HG LEU A 43 0.998 0.888 11.409 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.852 3.351 11.452 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.042 2.738 12.625 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.591 3.453 11.091 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.411 2.130 9.363 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.131 2.188 8.911 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.285 0.624 8.996 1.00 0.14 H new ATOM 721 N THR A 44 5.156 2.974 11.116 1.00 0.11 N ATOM 722 CA THR A 44 5.581 4.356 11.285 1.00 0.12 C ATOM 723 C THR A 44 6.740 4.678 10.351 1.00 0.12 C ATOM 724 O THR A 44 6.884 5.808 9.886 1.00 0.16 O ATOM 725 CB THR A 44 6.009 4.642 12.736 1.00 0.15 C ATOM 726 OG1 THR A 44 4.919 4.386 13.630 1.00 0.18 O ATOM 727 CG2 THR A 44 6.469 6.084 12.889 1.00 0.18 C ATOM 0 H THR A 44 5.393 2.362 11.897 1.00 0.11 H new ATOM 0 HA THR A 44 4.727 4.987 11.041 1.00 0.12 H new ATOM 0 HB THR A 44 6.841 3.983 12.982 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.201 4.569 14.551 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.767 6.263 13.922 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.318 6.267 12.230 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.653 6.756 12.625 1.00 0.18 H new ATOM 735 N SER A 45 7.562 3.674 10.078 1.00 0.11 N ATOM 736 CA SER A 45 8.712 3.842 9.202 1.00 0.13 C ATOM 737 C SER A 45 8.260 3.958 7.756 1.00 0.13 C ATOM 738 O SER A 45 8.897 4.628 6.942 1.00 0.19 O ATOM 739 CB SER A 45 9.673 2.663 9.366 1.00 0.17 C ATOM 740 OG SER A 45 10.404 2.765 10.575 1.00 0.31 O ATOM 0 H SER A 45 7.453 2.732 10.452 1.00 0.11 H new ATOM 0 HA SER A 45 9.233 4.759 9.477 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.112 1.728 9.354 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.362 2.632 8.522 1.00 0.17 H new ATOM 0 HG SER A 45 11.010 1.999 10.657 1.00 0.31 H new ATOM 746 N TRP A 46 7.153 3.298 7.447 1.00 0.10 N ATOM 747 CA TRP A 46 6.591 3.325 6.108 1.00 0.09 C ATOM 748 C TRP A 46 5.857 4.637 5.869 1.00 0.08 C ATOM 749 O TRP A 46 5.982 5.250 4.809 1.00 0.10 O ATOM 750 CB TRP A 46 5.632 2.156 5.921 1.00 0.09 C ATOM 751 CG TRP A 46 5.102 2.054 4.530 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.470 1.147 3.583 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.116 2.894 3.923 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.770 1.371 2.426 1.00 0.12 N ATOM 755 CE2 TRP A 46 3.933 2.434 2.609 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.369 3.989 4.363 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.035 3.026 1.729 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.475 4.577 3.489 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.315 4.093 2.183 1.00 0.09 C ATOM 0 H TRP A 46 6.624 2.734 8.112 1.00 0.10 H new ATOM 0 HA TRP A 46 7.404 3.240 5.387 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.144 1.229 6.178 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.798 2.263 6.615 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.204 0.367 3.723 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.860 0.830 1.566 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.488 4.369 5.367 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 2.911 2.655 0.722 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.890 5.423 3.817 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.608 4.574 1.523 1.00 0.09 H new ATOM 770 N LEU A 47 5.086 5.057 6.864 1.00 0.08 N ATOM 771 CA LEU A 47 4.333 6.297 6.775 1.00 0.08 C ATOM 772 C LEU A 47 5.277 7.475 6.578 1.00 0.08 C ATOM 773 O LEU A 47 5.014 8.371 5.776 1.00 0.11 O ATOM 774 CB LEU A 47 3.493 6.494 8.036 1.00 0.09 C ATOM 775 CG LEU A 47 2.327 5.518 8.196 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.703 5.661 9.573 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.285 5.752 7.112 1.00 0.62 C ATOM 0 H LEU A 47 4.967 4.554 7.743 1.00 0.08 H new ATOM 0 HA LEU A 47 3.665 6.241 5.915 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.144 6.404 8.906 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.099 7.510 8.037 1.00 0.09 H new ATOM 0 HG LEU A 47 2.709 4.502 8.093 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.874 4.960 9.672 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.452 5.448 10.336 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.334 6.679 9.701 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.462 5.049 7.241 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.906 6.771 7.185 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.739 5.603 6.132 1.00 0.62 H new ATOM 789 N LEU A 48 6.379 7.462 7.316 1.00 0.08 N ATOM 790 CA LEU A 48 7.376 8.516 7.215 1.00 0.10 C ATOM 791 C LEU A 48 8.115 8.417 5.885 1.00 0.10 C ATOM 792 O LEU A 48 8.626 9.410 5.368 1.00 0.11 O ATOM 793 CB LEU A 48 8.364 8.414 8.376 1.00 0.12 C ATOM 794 CG LEU A 48 7.750 8.589 9.762 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.725 8.145 10.841 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.337 10.034 9.976 1.00 0.17 C ATOM 0 H LEU A 48 6.604 6.732 7.992 1.00 0.08 H new ATOM 0 HA LEU A 48 6.873 9.482 7.263 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.854 7.441 8.332 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.140 9.168 8.241 1.00 0.12 H new ATOM 0 HG LEU A 48 6.861 7.961 9.828 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.268 8.278 11.822 1.00 0.17 H new ATOM 0 HD12 LEU A 48 8.974 7.094 10.696 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.633 8.745 10.780 1.00 0.17 H new ATOM 0 HD21 LEU A 48 6.901 10.144 10.969 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.212 10.679 9.890 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.602 10.318 9.223 1.00 0.17 H new ATOM 808 N ALA A 49 8.163 7.206 5.338 1.00 0.10 N ATOM 809 CA ALA A 49 8.827 6.967 4.065 1.00 0.11 C ATOM 810 C ALA A 49 8.122 7.721 2.947 1.00 0.11 C ATOM 811 O ALA A 49 8.760 8.231 2.026 1.00 0.15 O ATOM 812 CB ALA A 49 8.865 5.476 3.762 1.00 0.11 C ATOM 0 H ALA A 49 7.748 6.375 5.759 1.00 0.10 H new ATOM 0 HA ALA A 49 9.851 7.333 4.133 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.364 5.311 2.807 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.411 4.958 4.551 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.847 5.089 3.711 1.00 0.11 H new ATOM 818 N ALA A 50 6.799 7.787 3.038 1.00 0.08 N ATOM 819 CA ALA A 50 5.998 8.487 2.046 1.00 0.08 C ATOM 820 C ALA A 50 6.171 9.989 2.196 1.00 0.10 C ATOM 821 O ALA A 50 6.301 10.715 1.210 1.00 0.13 O ATOM 822 CB ALA A 50 4.534 8.108 2.191 1.00 0.10 C ATOM 0 H ALA A 50 6.259 7.362 3.792 1.00 0.08 H new ATOM 0 HA ALA A 50 6.337 8.195 1.052 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.945 8.639 1.443 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.420 7.034 2.047 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.185 8.380 3.187 1.00 0.10 H new ATOM 828 N LYS A 51 6.174 10.448 3.441 1.00 0.09 N ATOM 829 CA LYS A 51 6.339 11.863 3.727 1.00 0.11 C ATOM 830 C LYS A 51 7.670 12.355 3.182 1.00 0.13 C ATOM 831 O LYS A 51 7.764 13.457 2.643 1.00 0.15 O ATOM 832 CB LYS A 51 6.265 12.115 5.232 1.00 0.14 C ATOM 833 CG LYS A 51 4.973 11.632 5.866 1.00 0.14 C ATOM 834 CD LYS A 51 4.884 12.049 7.327 1.00 0.21 C ATOM 835 CE LYS A 51 3.651 11.472 8.006 1.00 0.61 C ATOM 836 NZ LYS A 51 3.568 11.877 9.437 1.00 1.40 N ATOM 0 H LYS A 51 6.064 9.860 4.267 1.00 0.09 H new ATOM 0 HA LYS A 51 5.532 12.412 3.241 1.00 0.11 H new ATOM 0 HB2 LYS A 51 7.106 11.619 5.717 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.375 13.183 5.419 1.00 0.14 H new ATOM 0 HG2 LYS A 51 4.123 12.037 5.318 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.912 10.546 5.791 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.778 11.717 7.855 1.00 0.21 H new ATOM 0 HD3 LYS A 51 4.860 13.137 7.394 1.00 0.21 H new ATOM 0 HE2 LYS A 51 2.756 11.807 7.481 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.673 10.384 7.937 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.715 11.465 9.866 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 4.410 11.536 9.944 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 3.521 12.914 9.502 1.00 1.40 H new ATOM 850 N SER A 52 8.698 11.527 3.327 1.00 0.12 N ATOM 851 CA SER A 52 10.024 11.872 2.833 1.00 0.15 C ATOM 852 C SER A 52 9.969 12.158 1.336 1.00 0.14 C ATOM 853 O SER A 52 10.799 12.892 0.801 1.00 0.16 O ATOM 854 CB SER A 52 11.016 10.742 3.117 1.00 0.17 C ATOM 855 OG SER A 52 12.306 11.060 2.628 1.00 1.23 O ATOM 0 H SER A 52 8.639 10.616 3.781 1.00 0.12 H new ATOM 0 HA SER A 52 10.363 12.768 3.353 1.00 0.15 H new ATOM 0 HB2 SER A 52 11.066 10.559 4.190 1.00 0.17 H new ATOM 0 HB3 SER A 52 10.665 9.821 2.653 1.00 0.17 H new ATOM 0 HG SER A 52 12.921 10.322 2.824 1.00 1.23 H new ATOM 861 N LEU A 53 8.979 11.570 0.668 1.00 0.12 N ATOM 862 CA LEU A 53 8.795 11.761 -0.764 1.00 0.12 C ATOM 863 C LEU A 53 7.871 12.943 -1.039 1.00 0.12 C ATOM 864 O LEU A 53 7.373 13.101 -2.152 1.00 0.15 O ATOM 865 CB LEU A 53 8.191 10.505 -1.388 1.00 0.13 C ATOM 866 CG LEU A 53 8.980 9.220 -1.162 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.222 8.032 -1.728 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.358 9.333 -1.793 1.00 0.14 C ATOM 0 H LEU A 53 8.290 10.955 1.101 1.00 0.12 H new ATOM 0 HA LEU A 53 9.772 11.961 -1.204 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.186 10.369 -0.990 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.090 10.665 -2.461 1.00 0.13 H new ATOM 0 HG LEU A 53 9.106 9.066 -0.090 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.796 7.121 -1.560 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.255 7.948 -1.233 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.070 8.173 -2.798 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.912 8.409 -1.625 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.255 9.504 -2.864 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.897 10.166 -1.343 1.00 0.14 H new ATOM 880 N GLU A 54 7.650 13.776 -0.030 1.00 0.12 N ATOM 881 CA GLU A 54 6.755 14.911 -0.180 1.00 0.13 C ATOM 882 C GLU A 54 5.337 14.418 -0.460 1.00 0.11 C ATOM 883 O GLU A 54 4.500 15.156 -0.982 1.00 0.13 O ATOM 884 CB GLU A 54 7.234 15.814 -1.313 1.00 0.17 C ATOM 885 CG GLU A 54 8.678 16.250 -1.161 1.00 0.23 C ATOM 886 CD GLU A 54 9.166 17.079 -2.331 1.00 0.63 C ATOM 887 OE1 GLU A 54 8.911 18.303 -2.341 1.00 0.59 O ATOM 888 OE2 GLU A 54 9.800 16.506 -3.242 1.00 1.14 O ATOM 0 H GLU A 54 8.075 13.687 0.893 1.00 0.12 H new ATOM 0 HA GLU A 54 6.754 15.487 0.745 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.118 15.289 -2.261 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.597 16.698 -1.358 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.784 16.828 -0.243 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.310 15.368 -1.057 1.00 0.23 H new ATOM 895 N LEU A 55 5.081 13.159 -0.107 1.00 0.11 N ATOM 896 CA LEU A 55 3.783 12.542 -0.315 1.00 0.13 C ATOM 897 C LEU A 55 3.006 12.495 0.996 1.00 0.17 C ATOM 898 O LEU A 55 3.582 12.260 2.059 1.00 0.33 O ATOM 899 CB LEU A 55 3.980 11.130 -0.870 1.00 0.20 C ATOM 900 CG LEU A 55 2.709 10.303 -1.046 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.865 10.850 -2.186 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.067 8.844 -1.295 1.00 0.72 C ATOM 0 H LEU A 55 5.768 12.545 0.329 1.00 0.11 H new ATOM 0 HA LEU A 55 3.210 13.133 -1.030 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.478 11.206 -1.836 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.654 10.589 -0.205 1.00 0.20 H new ATOM 0 HG LEU A 55 2.121 10.368 -0.130 1.00 0.38 H new ATOM 0 HD11 LEU A 55 0.964 10.246 -2.294 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.587 11.881 -1.970 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.438 10.815 -3.112 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.154 8.261 -1.419 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.672 8.767 -2.198 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.631 8.458 -0.446 1.00 0.72 H new ATOM 914 N LYS A 56 1.702 12.720 0.918 1.00 0.15 N ATOM 915 CA LYS A 56 0.859 12.711 2.104 1.00 0.16 C ATOM 916 C LYS A 56 0.357 11.307 2.409 1.00 0.16 C ATOM 917 O LYS A 56 -0.175 10.619 1.539 1.00 0.20 O ATOM 918 CB LYS A 56 -0.325 13.663 1.926 1.00 0.18 C ATOM 919 CG LYS A 56 -1.219 13.749 3.151 1.00 0.61 C ATOM 920 CD LYS A 56 -2.376 14.710 2.932 1.00 0.62 C ATOM 921 CE LYS A 56 -3.365 14.660 4.084 1.00 1.18 C ATOM 922 NZ LYS A 56 -3.993 13.317 4.217 1.00 1.86 N ATOM 0 H LYS A 56 1.206 12.911 0.047 1.00 0.15 H new ATOM 0 HA LYS A 56 1.463 13.050 2.946 1.00 0.16 H new ATOM 0 HB2 LYS A 56 0.051 14.658 1.689 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -0.920 13.336 1.073 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.608 12.759 3.389 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.631 14.075 4.009 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -1.993 15.725 2.824 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -2.886 14.461 2.002 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -2.854 14.916 5.012 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -4.141 15.410 3.930 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -4.867 13.396 4.775 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -4.218 12.944 3.273 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -3.334 12.671 4.697 1.00 1.86 H new ATOM 936 N VAL A 57 0.539 10.884 3.651 1.00 0.14 N ATOM 937 CA VAL A 57 0.100 9.567 4.086 1.00 0.14 C ATOM 938 C VAL A 57 -0.325 9.601 5.546 1.00 0.15 C ATOM 939 O VAL A 57 0.120 10.458 6.310 1.00 0.15 O ATOM 940 CB VAL A 57 1.204 8.513 3.904 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.642 8.447 2.450 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.388 8.813 4.811 1.00 0.13 C ATOM 0 H VAL A 57 0.990 11.438 4.379 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.750 9.289 3.463 1.00 0.14 H new ATOM 0 HB VAL A 57 0.800 7.540 4.184 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.424 7.696 2.339 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.790 8.179 1.825 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.026 9.419 2.141 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.158 8.055 4.667 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.794 9.794 4.566 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.061 8.805 5.851 1.00 0.13 H new ATOM 952 N LYS A 58 -1.187 8.671 5.934 1.00 0.17 N ATOM 953 CA LYS A 58 -1.662 8.617 7.309 1.00 0.20 C ATOM 954 C LYS A 58 -2.411 7.322 7.591 1.00 0.16 C ATOM 955 O LYS A 58 -3.416 7.020 6.951 1.00 0.18 O ATOM 956 CB LYS A 58 -2.569 9.808 7.600 1.00 0.26 C ATOM 957 CG LYS A 58 -3.163 9.782 8.997 1.00 0.63 C ATOM 958 CD LYS A 58 -4.074 10.974 9.241 1.00 1.21 C ATOM 959 CE LYS A 58 -4.688 10.928 10.630 1.00 1.69 C ATOM 960 NZ LYS A 58 -5.618 12.066 10.864 1.00 2.33 N ATOM 0 H LYS A 58 -1.569 7.950 5.322 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.790 8.654 7.961 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -2.000 10.729 7.471 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.377 9.828 6.869 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.726 8.859 9.136 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -2.360 9.780 9.734 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -3.507 11.897 9.123 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -4.866 10.988 8.492 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -5.225 9.988 10.759 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -3.895 10.947 11.378 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -6.016 11.998 11.823 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -5.101 12.963 10.767 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -6.389 12.034 10.166 1.00 2.33 H new ATOM 974 N GLN A 59 -1.911 6.565 8.560 1.00 0.15 N ATOM 975 CA GLN A 59 -2.537 5.313 8.948 1.00 0.13 C ATOM 976 C GLN A 59 -3.635 5.571 9.966 1.00 0.13 C ATOM 977 O GLN A 59 -3.415 6.247 10.971 1.00 0.16 O ATOM 978 CB GLN A 59 -1.496 4.357 9.527 1.00 0.16 C ATOM 979 CG GLN A 59 -2.058 2.987 9.867 1.00 0.20 C ATOM 980 CD GLN A 59 -2.030 2.678 11.353 1.00 0.44 C ATOM 981 OE1 GLN A 59 -1.833 1.531 11.753 1.00 1.13 O ATOM 982 NE2 GLN A 59 -2.240 3.694 12.183 1.00 0.36 N ATOM 0 H GLN A 59 -1.072 6.799 9.091 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.978 4.854 8.063 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.683 4.240 8.811 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -1.068 4.799 10.426 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -3.086 2.925 9.509 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.488 2.226 9.334 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -2.400 4.631 11.812 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -2.242 3.537 13.191 1.00 0.36 H new ATOM 991 N VAL A 60 -4.816 5.035 9.704 1.00 0.13 N ATOM 992 CA VAL A 60 -5.945 5.223 10.601 1.00 0.16 C ATOM 993 C VAL A 60 -6.822 3.981 10.652 1.00 0.15 C ATOM 994 O VAL A 60 -6.883 3.209 9.695 1.00 0.18 O ATOM 995 CB VAL A 60 -6.800 6.430 10.167 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.268 6.258 8.732 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.982 6.617 11.106 1.00 0.23 C ATOM 0 H VAL A 60 -5.018 4.468 8.880 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.537 5.410 11.595 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.184 7.328 10.220 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.870 7.118 8.440 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.403 6.181 8.074 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.867 5.351 8.651 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.572 7.474 10.782 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.604 5.722 11.091 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.618 6.789 12.119 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.500 3.794 11.776 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.378 2.651 11.952 1.00 0.20 C ATOM 1009 C LYS A 61 -9.746 2.949 11.357 1.00 0.21 C ATOM 1010 O LYS A 61 -10.517 3.732 11.909 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.516 2.312 13.434 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.211 0.989 13.692 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.467 0.774 15.176 1.00 0.37 C ATOM 1014 CE LYS A 61 -10.143 -0.562 15.439 1.00 1.05 C ATOM 1015 NZ LYS A 61 -10.481 -0.737 16.879 1.00 2.03 N ATOM 0 H LYS A 61 -7.457 4.421 12.579 1.00 0.19 H new ATOM 0 HA LYS A 61 -7.945 1.794 11.436 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.525 2.286 13.886 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -9.072 3.108 13.930 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.157 0.962 13.151 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -8.599 0.174 13.305 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -8.523 0.818 15.719 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -10.092 1.581 15.559 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -11.052 -0.634 14.841 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -9.486 -1.371 15.119 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -10.940 -1.660 17.018 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -9.611 -0.694 17.447 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -11.128 0.020 17.178 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.039 2.319 10.229 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.310 2.527 9.552 1.00 0.22 C ATOM 1031 C LYS A 62 -12.013 1.204 9.298 1.00 0.23 C ATOM 1032 O LYS A 62 -11.376 0.195 9.001 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.089 3.252 8.225 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.150 4.439 8.338 1.00 0.30 C ATOM 1035 CD LYS A 62 -10.715 5.508 9.261 1.00 0.50 C ATOM 1036 CE LYS A 62 -11.907 6.215 8.634 1.00 0.75 C ATOM 1037 NZ LYS A 62 -12.471 7.256 9.537 1.00 1.04 N ATOM 0 H LYS A 62 -9.415 1.660 9.764 1.00 0.20 H new ATOM 0 HA LYS A 62 -11.940 3.138 10.198 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.687 2.548 7.497 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.050 3.593 7.841 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.183 4.105 8.714 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -9.978 4.864 7.349 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -11.016 5.053 10.205 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -9.939 6.237 9.492 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -11.603 6.675 7.694 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -12.679 5.484 8.396 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -13.281 7.715 9.074 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.784 6.813 10.424 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -11.742 7.968 9.744 1.00 1.04 H new ATOM 1051 N THR A 63 -13.332 1.218 9.417 1.00 0.17 N ATOM 1052 CA THR A 63 -14.124 0.023 9.188 1.00 0.15 C ATOM 1053 C THR A 63 -14.250 -0.248 7.697 1.00 0.13 C ATOM 1054 O THR A 63 -14.267 0.680 6.891 1.00 0.15 O ATOM 1055 CB THR A 63 -15.532 0.145 9.800 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.242 1.227 9.187 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.450 0.374 11.303 1.00 0.24 C ATOM 0 H THR A 63 -13.874 2.044 9.671 1.00 0.17 H new ATOM 0 HA THR A 63 -13.608 -0.805 9.674 1.00 0.15 H new ATOM 0 HB THR A 63 -16.065 -0.788 9.618 1.00 0.20 H new ATOM 0 HG1 THR A 63 -16.389 1.937 9.846 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.456 0.457 11.714 1.00 0.24 H new ATOM 0 HG22 THR A 63 -14.935 -0.465 11.771 1.00 0.24 H new ATOM 0 HG23 THR A 63 -14.900 1.294 11.501 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.333 -1.517 7.332 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.450 -1.899 5.931 1.00 0.13 C ATOM 1067 C ILE A 64 -15.478 -1.039 5.199 1.00 0.17 C ATOM 1068 O ILE A 64 -15.249 -0.604 4.070 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.846 -3.378 5.800 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.810 -4.262 6.490 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -14.992 -3.767 4.339 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.037 -5.738 6.270 1.00 0.20 C ATOM 0 H ILE A 64 -14.322 -2.301 7.985 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.473 -1.741 5.475 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.810 -3.524 6.287 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.817 -3.997 6.126 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.823 -4.056 7.560 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.273 -4.818 4.269 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.764 -3.153 3.874 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -14.044 -3.609 3.824 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.264 -6.306 6.788 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -15.016 -6.018 6.659 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -13.995 -5.958 5.203 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.600 -0.788 5.858 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.670 0.012 5.274 1.00 0.26 C ATOM 1086 C ASP A 65 -17.202 1.437 4.979 1.00 0.24 C ATOM 1087 O ASP A 65 -17.823 2.151 4.191 1.00 0.27 O ATOM 1088 CB ASP A 65 -18.878 0.039 6.210 1.00 0.33 C ATOM 1089 CG ASP A 65 -19.429 -1.347 6.482 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -18.881 -2.041 7.365 1.00 2.08 O ATOM 1091 OD2 ASP A 65 -20.406 -1.740 5.811 1.00 1.99 O ATOM 0 H ASP A 65 -16.794 -1.127 6.800 1.00 0.21 H new ATOM 0 HA ASP A 65 -17.958 -0.450 4.330 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -18.593 0.505 7.153 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -19.660 0.659 5.771 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.106 1.846 5.612 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.560 3.185 5.410 1.00 0.20 C ATOM 1098 C ARG A 66 -14.633 3.219 4.200 1.00 0.15 C ATOM 1099 O ARG A 66 -14.506 4.244 3.530 1.00 0.14 O ATOM 1100 CB ARG A 66 -14.797 3.640 6.655 1.00 0.24 C ATOM 1101 CG ARG A 66 -15.690 3.947 7.845 1.00 0.71 C ATOM 1102 CD ARG A 66 -16.585 5.145 7.575 1.00 0.66 C ATOM 1103 NE ARG A 66 -15.810 6.356 7.319 1.00 1.54 N ATOM 1104 CZ ARG A 66 -16.353 7.524 6.989 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -17.669 7.639 6.876 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -15.578 8.577 6.771 1.00 2.72 N ATOM 0 H ARG A 66 -15.579 1.270 6.269 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.393 3.864 5.230 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -14.086 2.864 6.937 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.217 4.530 6.409 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.305 3.077 8.074 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -15.074 4.142 8.723 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -17.224 4.935 6.717 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.242 5.308 8.430 1.00 0.66 H new ATOM 0 HE ARG A 66 -14.794 6.303 7.398 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.268 6.830 7.042 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -18.083 8.536 6.623 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -14.565 8.491 6.856 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -15.994 9.473 6.518 1.00 2.72 H new ATOM 1120 N LEU A 67 -13.990 2.090 3.929 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.063 1.978 2.809 1.00 0.11 C ATOM 1122 C LEU A 67 -13.692 2.455 1.510 1.00 0.13 C ATOM 1123 O LEU A 67 -12.992 2.842 0.574 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.598 0.532 2.662 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.430 0.124 3.566 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.550 0.754 4.948 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.364 -1.388 3.678 1.00 0.15 C ATOM 0 H LEU A 67 -14.094 1.234 4.473 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.206 2.618 3.019 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.442 -0.126 2.868 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.309 0.365 1.625 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.508 0.490 3.114 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.706 0.444 5.564 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.551 1.840 4.854 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.479 0.429 5.416 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.531 -1.669 4.322 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.295 -1.762 4.104 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -11.219 -1.820 2.688 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.012 2.417 1.453 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.726 2.853 0.265 1.00 0.19 C ATOM 1141 C ASN A 68 -15.744 4.379 0.164 1.00 0.19 C ATOM 1142 O ASN A 68 -16.090 4.935 -0.878 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.156 2.314 0.292 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.830 2.394 -1.062 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -17.504 3.248 -1.884 1.00 1.69 O ATOM 1146 ND2 ASN A 68 -18.779 1.499 -1.299 1.00 0.83 N ATOM 0 H ASN A 68 -15.609 2.090 2.212 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.207 2.461 -0.610 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.144 1.277 0.628 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.740 2.878 1.019 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -19.271 1.502 -2.193 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -19.017 0.808 -0.588 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.367 5.057 1.249 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.362 6.514 1.271 1.00 0.18 C ATOM 1155 C PHE A 69 -13.972 7.083 1.563 1.00 0.15 C ATOM 1156 O PHE A 69 -13.766 8.294 1.478 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.358 7.019 2.314 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.693 6.339 2.229 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.656 6.791 1.342 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -17.989 5.255 3.038 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.889 6.176 1.263 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.221 4.633 2.963 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.159 5.069 2.069 1.00 0.34 C ATOM 0 H PHE A 69 -15.063 4.620 2.119 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.655 6.858 0.279 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -15.942 6.866 3.310 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.495 8.093 2.187 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.439 7.635 0.704 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.249 4.891 3.735 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.640 6.549 0.582 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.443 3.800 3.613 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.107 4.558 1.987 1.00 0.34 H new ATOM 1173 N ILE A 70 -13.018 6.218 1.904 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.665 6.675 2.204 1.00 0.11 C ATOM 1175 C ILE A 70 -10.925 7.061 0.932 1.00 0.12 C ATOM 1176 O ILE A 70 -11.425 6.867 -0.176 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.842 5.611 2.957 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.650 4.367 2.091 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.507 5.253 4.277 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.868 3.272 2.782 1.00 0.15 C ATOM 0 H ILE A 70 -13.155 5.210 1.978 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.773 7.548 2.848 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.859 6.029 3.175 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.627 3.979 1.802 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.134 4.648 1.173 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -10.910 4.501 4.793 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.584 6.145 4.899 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.504 4.857 4.086 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.768 2.418 2.112 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -8.878 3.643 3.047 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.394 2.964 3.686 1.00 0.15 H new ATOM 1192 N SER A 71 -9.731 7.613 1.103 1.00 0.12 N ATOM 1193 CA SER A 71 -8.917 8.043 -0.025 1.00 0.14 C ATOM 1194 C SER A 71 -8.301 6.854 -0.749 1.00 0.13 C ATOM 1195 O SER A 71 -7.238 6.362 -0.370 1.00 0.15 O ATOM 1196 CB SER A 71 -7.815 8.986 0.452 1.00 0.17 C ATOM 1197 OG SER A 71 -7.035 9.453 -0.634 1.00 1.14 O ATOM 0 H SER A 71 -9.304 7.774 2.015 1.00 0.12 H new ATOM 0 HA SER A 71 -9.567 8.568 -0.725 1.00 0.14 H new ATOM 0 HB2 SER A 71 -8.259 9.833 0.975 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.175 8.469 1.167 1.00 0.17 H new ATOM 0 HG SER A 71 -6.084 9.342 -0.425 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.978 6.398 -1.795 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.498 5.278 -2.591 1.00 0.12 C ATOM 1205 C LEU A 72 -7.616 5.789 -3.730 1.00 0.13 C ATOM 1206 O LEU A 72 -7.850 6.877 -4.256 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.679 4.482 -3.152 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.755 3.017 -2.711 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.622 2.899 -1.201 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -11.060 2.393 -3.179 1.00 0.16 C ATOM 0 H LEU A 72 -9.865 6.789 -2.112 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.907 4.620 -1.954 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.603 4.980 -2.858 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.632 4.514 -4.241 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.925 2.478 -3.168 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.679 1.850 -0.912 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.663 3.310 -0.887 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.429 3.452 -0.720 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.101 1.352 -2.859 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.899 2.938 -2.748 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -11.117 2.441 -4.266 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.588 5.019 -4.135 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.273 3.712 -3.550 1.00 0.11 C ATOM 1224 C PRO A 73 -5.641 3.831 -2.170 1.00 0.10 C ATOM 1225 O PRO A 73 -4.776 4.675 -1.939 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.277 3.118 -4.543 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.602 4.299 -5.145 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.642 5.386 -5.201 1.00 0.14 C ATOM 0 HA PRO A 73 -7.165 3.104 -3.400 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.562 2.463 -4.045 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.782 2.520 -5.302 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.746 4.608 -4.544 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.225 4.068 -6.141 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.204 6.369 -5.027 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.131 5.423 -6.175 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.082 2.976 -1.258 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.565 2.977 0.103 1.00 0.09 C ATOM 1238 C ALA A 74 -4.706 1.744 0.355 1.00 0.08 C ATOM 1239 O ALA A 74 -4.835 0.737 -0.339 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.710 3.044 1.102 1.00 0.09 C ATOM 0 H ALA A 74 -6.798 2.272 -1.436 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.938 3.859 0.233 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.309 3.044 2.116 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.283 3.957 0.938 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.360 2.179 0.969 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.827 1.827 1.347 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.952 0.710 1.676 1.00 0.07 C ATOM 1248 C LEU A 75 -3.369 0.040 2.978 1.00 0.07 C ATOM 1249 O LEU A 75 -3.226 0.614 4.056 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.504 1.182 1.789 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.527 0.142 2.340 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.357 -1.003 1.355 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.814 0.783 2.655 1.00 0.09 C ATOM 0 H LEU A 75 -3.702 2.652 1.934 1.00 0.07 H new ATOM 0 HA LEU A 75 -3.036 -0.019 0.870 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.161 1.494 0.802 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.474 2.063 2.430 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.938 -0.261 3.266 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.341 -1.734 1.763 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.322 -1.480 1.182 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.031 -0.617 0.412 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.496 0.027 3.046 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.233 1.215 1.746 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.676 1.567 3.399 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.875 -1.181 2.874 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.294 -1.930 4.047 1.00 0.07 C ATOM 1267 C VAL A 76 -3.084 -2.542 4.740 1.00 0.07 C ATOM 1268 O VAL A 76 -2.596 -3.600 4.344 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.290 -3.046 3.681 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.710 -3.931 2.593 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.653 -3.868 4.909 1.00 0.10 C ATOM 0 H VAL A 76 -4.005 -1.672 1.990 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.792 -1.232 4.720 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.203 -2.586 3.302 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.424 -4.716 2.343 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.506 -3.331 1.706 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.783 -4.383 2.947 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.358 -4.651 4.628 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.752 -4.322 5.322 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.110 -3.221 5.658 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.604 -1.869 5.774 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.446 -2.343 6.515 1.00 0.08 C ATOM 1283 C TRP A 77 -1.696 -3.730 7.095 1.00 0.09 C ATOM 1284 O TRP A 77 -2.736 -3.983 7.703 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.097 -1.366 7.633 1.00 0.10 C ATOM 1286 CG TRP A 77 0.275 -1.578 8.184 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.603 -2.113 9.393 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.510 -1.261 7.535 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.967 -2.144 9.540 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.546 -1.626 8.412 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.837 -0.704 6.298 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.889 -1.449 8.090 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.168 -0.529 5.979 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.180 -0.900 6.871 1.00 0.12 C ATOM 0 H TRP A 77 -2.998 -0.994 6.119 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.607 -2.408 5.822 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.178 -0.347 7.256 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.826 -1.467 8.437 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.107 -2.462 10.128 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.468 -2.495 10.356 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.062 -0.415 5.603 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.672 -1.734 8.777 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.433 -0.098 5.025 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.212 -0.750 6.592 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.732 -4.623 6.905 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.837 -5.984 7.412 1.00 0.13 C ATOM 1307 C ARG A 78 0.373 -6.336 8.263 1.00 0.15 C ATOM 1308 O ARG A 78 1.499 -6.393 7.772 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.968 -6.975 6.256 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.371 -7.049 5.675 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.296 -7.865 6.562 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.816 -9.232 6.738 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.354 -10.101 7.588 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.386 -9.746 8.341 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -2.857 -11.327 7.684 1.00 0.38 N ATOM 0 H ARG A 78 0.133 -4.427 6.402 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.730 -6.046 8.034 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.271 -6.694 5.467 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.674 -7.966 6.603 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.772 -6.042 5.558 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.332 -7.494 4.681 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.384 -7.383 7.536 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.294 -7.884 6.125 1.00 0.30 H new ATOM 0 HE ARG A 78 -2.022 -9.538 6.176 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.770 -8.804 8.269 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -4.796 -10.415 8.992 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -2.063 -11.602 7.106 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.269 -11.995 8.336 1.00 0.38 H new ATOM 1329 N GLU A 79 0.128 -6.581 9.541 1.00 0.17 N ATOM 1330 CA GLU A 79 1.194 -6.929 10.469 1.00 0.20 C ATOM 1331 C GLU A 79 1.858 -8.241 10.075 1.00 0.23 C ATOM 1332 O GLU A 79 2.982 -8.526 10.487 1.00 0.28 O ATOM 1333 CB GLU A 79 0.646 -7.033 11.889 1.00 0.21 C ATOM 1334 CG GLU A 79 0.008 -5.751 12.387 1.00 0.28 C ATOM 1335 CD GLU A 79 -0.449 -5.849 13.829 1.00 0.86 C ATOM 1336 OE1 GLU A 79 -1.607 -6.256 14.057 1.00 1.75 O ATOM 1337 OE2 GLU A 79 0.353 -5.523 14.730 1.00 1.13 O ATOM 0 H GLU A 79 -0.801 -6.545 9.960 1.00 0.17 H new ATOM 0 HA GLU A 79 1.944 -6.139 10.430 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.091 -7.835 11.928 1.00 0.21 H new ATOM 0 HB3 GLU A 79 1.456 -7.312 12.563 1.00 0.21 H new ATOM 0 HG2 GLU A 79 0.722 -4.933 12.291 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -0.845 -5.505 11.755 1.00 0.28 H new ATOM 1344 N ASP A 80 1.159 -9.039 9.275 1.00 0.24 N ATOM 1345 CA ASP A 80 1.692 -10.319 8.831 1.00 0.32 C ATOM 1346 C ASP A 80 2.726 -10.135 7.720 1.00 0.35 C ATOM 1347 O ASP A 80 3.323 -11.106 7.257 1.00 0.45 O ATOM 1348 CB ASP A 80 0.560 -11.225 8.349 1.00 0.34 C ATOM 1349 CG ASP A 80 1.059 -12.583 7.891 1.00 1.29 C ATOM 1350 OD1 ASP A 80 1.378 -12.724 6.693 1.00 2.00 O ATOM 1351 OD2 ASP A 80 1.129 -13.504 8.732 1.00 1.86 O ATOM 0 H ASP A 80 0.227 -8.822 8.923 1.00 0.24 H new ATOM 0 HA ASP A 80 2.188 -10.788 9.681 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -0.162 -11.359 9.155 1.00 0.34 H new ATOM 0 HB3 ASP A 80 0.034 -10.739 7.528 1.00 0.34 H new ATOM 1356 N GLY A 81 2.937 -8.890 7.292 1.00 0.32 N ATOM 1357 CA GLY A 81 3.898 -8.630 6.239 1.00 0.40 C ATOM 1358 C GLY A 81 3.341 -8.948 4.868 1.00 0.45 C ATOM 1359 O GLY A 81 4.090 -9.222 3.933 1.00 0.82 O ATOM 0 H GLY A 81 2.461 -8.064 7.655 1.00 0.32 H new ATOM 0 HA2 GLY A 81 4.199 -7.583 6.274 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.795 -9.225 6.412 1.00 0.40 H new ATOM 1363 N ARG A 82 2.017 -8.919 4.758 1.00 0.18 N ATOM 1364 CA ARG A 82 1.340 -9.198 3.500 1.00 0.18 C ATOM 1365 C ARG A 82 0.274 -8.147 3.235 1.00 0.14 C ATOM 1366 O ARG A 82 -0.921 -8.436 3.272 1.00 0.17 O ATOM 1367 CB ARG A 82 0.699 -10.581 3.550 1.00 0.22 C ATOM 1368 CG ARG A 82 1.547 -11.609 4.274 1.00 0.29 C ATOM 1369 CD ARG A 82 2.745 -12.028 3.444 1.00 0.60 C ATOM 1370 NE ARG A 82 3.578 -13.008 4.138 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.657 -13.567 3.601 1.00 1.46 C ATOM 1372 NH1 ARG A 82 5.031 -13.245 2.370 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.363 -14.449 4.296 1.00 1.85 N ATOM 0 H ARG A 82 1.389 -8.703 5.532 1.00 0.18 H new ATOM 0 HA ARG A 82 2.073 -9.171 2.693 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.270 -10.507 4.043 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.513 -10.925 2.532 1.00 0.22 H new ATOM 0 HG2 ARG A 82 1.888 -11.197 5.224 1.00 0.29 H new ATOM 0 HG3 ARG A 82 0.940 -12.484 4.506 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.402 -12.449 2.499 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.344 -11.150 3.203 1.00 0.60 H new ATOM 0 HE ARG A 82 3.317 -13.278 5.086 1.00 0.96 H new ATOM 0 HH11 ARG A 82 4.490 -12.567 1.834 1.00 1.68 H new ATOM 0 HH12 ARG A 82 5.860 -13.675 1.960 1.00 1.68 H new ATOM 0 HH21 ARG A 82 5.078 -14.698 5.243 1.00 1.85 H new ATOM 0 HH22 ARG A 82 6.191 -14.878 3.883 1.00 1.85 H new ATOM 1387 N HIS A 83 0.714 -6.926 2.966 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.207 -5.825 2.718 1.00 0.09 C ATOM 1389 C HIS A 83 -0.630 -5.784 1.255 1.00 0.08 C ATOM 1390 O HIS A 83 -0.088 -6.503 0.416 1.00 0.10 O ATOM 1391 CB HIS A 83 0.421 -4.473 3.103 1.00 0.12 C ATOM 1392 CG HIS A 83 1.638 -4.572 3.976 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.581 -5.124 5.232 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.909 -4.173 3.725 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.809 -5.050 5.716 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.649 -4.481 4.838 1.00 0.15 N ATOM 0 H HIS A 83 1.701 -6.673 2.914 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.085 -5.997 3.340 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.687 -3.939 2.191 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.330 -3.872 3.616 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.270 -3.703 2.822 1.00 0.13 H new ATOM 0 HE1 HIS A 83 3.099 -5.403 6.695 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.646 -4.310 4.972 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.608 -4.936 0.964 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.109 -4.771 -0.391 1.00 0.08 C ATOM 1406 C PHE A 84 -2.807 -3.423 -0.530 1.00 0.08 C ATOM 1407 O PHE A 84 -3.316 -2.874 0.447 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.044 -5.919 -0.781 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.179 -6.152 0.176 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -4.037 -7.018 1.250 1.00 0.11 C ATOM 1411 CD2 PHE A 84 -5.395 -5.517 -0.010 1.00 0.12 C ATOM 1412 CE1 PHE A 84 -5.089 -7.243 2.120 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -6.447 -5.737 0.855 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.296 -6.601 1.921 1.00 0.15 C ATOM 0 H PHE A 84 -2.072 -4.348 1.656 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.262 -4.796 -1.077 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.455 -5.716 -1.770 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.459 -6.835 -0.861 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -3.095 -7.522 1.409 1.00 0.11 H new ATOM 0 HD2 PHE A 84 -5.522 -4.841 -0.843 1.00 0.12 H new ATOM 0 HE1 PHE A 84 -4.967 -7.919 2.953 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -7.389 -5.233 0.698 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.119 -6.775 2.598 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.827 -2.893 -1.745 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.432 -1.591 -1.998 1.00 0.09 C ATOM 1426 C ILE A 85 -4.880 -1.706 -2.456 1.00 0.08 C ATOM 1427 O ILE A 85 -5.160 -2.223 -3.536 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.629 -0.812 -3.062 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.192 -0.598 -2.586 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.293 0.524 -3.375 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.381 0.301 -3.496 1.00 0.12 C ATOM 0 H ILE A 85 -2.432 -3.343 -2.571 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.414 -1.052 -1.051 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.611 -1.402 -3.978 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.210 -0.167 -1.585 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.696 -1.565 -2.508 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.708 1.054 -4.127 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.300 0.350 -3.755 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.346 1.125 -2.467 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.628 0.408 -3.097 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.332 -0.139 -4.492 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.854 1.281 -3.555 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.796 -1.212 -1.629 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.211 -1.227 -1.967 1.00 0.08 C ATOM 1445 C LEU A 86 -7.499 -0.119 -2.968 1.00 0.08 C ATOM 1446 O LEU A 86 -7.198 1.048 -2.717 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.071 -1.044 -0.715 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.579 -1.074 -0.963 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -9.965 -2.326 -1.732 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.339 -0.998 0.353 1.00 0.14 C ATOM 0 H LEU A 86 -5.582 -0.797 -0.722 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.460 -2.192 -2.408 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.819 -1.828 -0.000 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.812 -0.093 -0.250 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.847 -0.205 -1.563 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.042 -2.332 -1.900 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.448 -2.338 -2.691 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.683 -3.208 -1.157 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.411 -1.021 0.156 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.067 -1.847 0.980 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.084 -0.071 0.867 1.00 0.14 H new ATOM 1462 N THR A 87 -8.082 -0.483 -4.100 1.00 0.08 N ATOM 1463 CA THR A 87 -8.377 0.487 -5.144 1.00 0.09 C ATOM 1464 C THR A 87 -9.875 0.680 -5.344 1.00 0.09 C ATOM 1465 O THR A 87 -10.304 1.679 -5.920 1.00 0.11 O ATOM 1466 CB THR A 87 -7.747 0.061 -6.480 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.331 -1.165 -6.925 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.244 -0.115 -6.332 1.00 0.13 C ATOM 0 H THR A 87 -8.360 -1.440 -4.319 1.00 0.08 H new ATOM 0 HA THR A 87 -7.947 1.434 -4.816 1.00 0.09 H new ATOM 0 HB THR A 87 -7.938 0.843 -7.215 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.535 -1.730 -6.151 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.817 -0.417 -7.288 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.797 0.827 -6.016 1.00 0.13 H new ATOM 0 HG23 THR A 87 -6.039 -0.882 -5.585 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.669 -0.276 -4.876 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.114 -0.186 -5.022 1.00 0.10 C ATOM 1478 C LYS A 88 -12.822 -1.268 -4.220 1.00 0.11 C ATOM 1479 O LYS A 88 -12.233 -2.293 -3.879 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.496 -0.299 -6.496 1.00 0.12 C ATOM 1481 CG LYS A 88 -13.976 -0.097 -6.762 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.275 -0.076 -8.253 1.00 0.21 C ATOM 1483 CE LYS A 88 -14.124 -1.455 -8.873 1.00 0.55 C ATOM 1484 NZ LYS A 88 -14.260 -1.414 -10.356 1.00 1.43 N ATOM 0 H LYS A 88 -10.339 -1.114 -4.397 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.431 0.783 -4.636 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -11.930 0.438 -7.066 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -12.201 -1.282 -6.864 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.545 -0.896 -6.287 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.304 0.839 -6.311 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -15.289 0.288 -8.416 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.602 0.623 -8.750 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -13.150 -1.867 -8.609 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -14.877 -2.125 -8.458 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -14.151 -2.374 -10.741 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -15.199 -1.044 -10.608 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -13.525 -0.795 -10.755 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.092 -1.026 -3.922 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.893 -1.976 -3.166 1.00 0.15 C ATOM 1500 C VAL A 89 -16.316 -2.055 -3.712 1.00 0.17 C ATOM 1501 O VAL A 89 -17.039 -1.060 -3.734 1.00 0.20 O ATOM 1502 CB VAL A 89 -14.932 -1.613 -1.664 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.527 -1.366 -1.145 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.817 -0.401 -1.406 1.00 0.21 C ATOM 0 H VAL A 89 -14.589 -0.178 -4.194 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.418 -2.951 -3.276 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.363 -2.458 -1.127 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.570 -1.111 -0.086 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -12.927 -2.266 -1.278 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.074 -0.543 -1.698 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -15.821 -0.174 -0.340 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.431 0.456 -1.958 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.834 -0.616 -1.735 1.00 0.21 H new ATOM 1514 N SER A 90 -16.707 -3.240 -4.157 1.00 0.20 N ATOM 1515 CA SER A 90 -18.047 -3.443 -4.693 1.00 0.24 C ATOM 1516 C SER A 90 -18.983 -3.924 -3.594 1.00 0.23 C ATOM 1517 O SER A 90 -19.324 -5.101 -3.534 1.00 0.22 O ATOM 1518 CB SER A 90 -18.021 -4.459 -5.835 1.00 0.27 C ATOM 1519 OG SER A 90 -19.293 -4.570 -6.449 1.00 1.15 O ATOM 0 H SER A 90 -16.119 -4.073 -4.158 1.00 0.20 H new ATOM 0 HA SER A 90 -18.410 -2.491 -5.081 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.281 -4.158 -6.577 1.00 0.27 H new ATOM 0 HB3 SER A 90 -17.712 -5.432 -5.453 1.00 0.27 H new ATOM 0 HG SER A 90 -19.249 -5.225 -7.177 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.401 -3.004 -2.733 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.286 -3.341 -1.626 1.00 0.31 C ATOM 1527 C LYS A 91 -21.507 -4.108 -2.118 1.00 0.33 C ATOM 1528 O LYS A 91 -22.109 -4.882 -1.374 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.730 -2.071 -0.901 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.278 -2.325 0.492 1.00 0.80 C ATOM 1531 CD LYS A 91 -20.212 -2.904 1.410 1.00 1.43 C ATOM 1532 CE LYS A 91 -20.745 -3.129 2.817 1.00 1.61 C ATOM 1533 NZ LYS A 91 -21.246 -1.868 3.430 1.00 1.86 N ATOM 0 H LYS A 91 -19.141 -2.019 -2.781 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.735 -3.977 -0.934 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -19.883 -1.388 -0.830 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.493 -1.571 -1.497 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -21.655 -1.392 0.912 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -22.122 -3.012 0.433 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -19.853 -3.849 1.001 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.358 -2.228 1.448 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -21.550 -3.863 2.787 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -19.956 -3.547 3.441 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -21.249 -1.963 4.466 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -20.627 -1.079 3.156 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -22.213 -1.681 3.097 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.865 -3.889 -3.377 1.00 0.36 N ATOM 1548 CA GLU A 92 -23.012 -4.563 -3.967 1.00 0.41 C ATOM 1549 C GLU A 92 -22.761 -6.061 -4.044 1.00 0.35 C ATOM 1550 O GLU A 92 -23.660 -6.871 -3.819 1.00 0.39 O ATOM 1551 CB GLU A 92 -23.289 -4.008 -5.362 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.607 -2.523 -5.371 1.00 0.57 C ATOM 1553 CD GLU A 92 -23.848 -1.985 -6.767 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -22.858 -1.690 -7.467 1.00 2.09 O ATOM 1555 OE2 GLU A 92 -25.027 -1.861 -7.161 1.00 1.29 O ATOM 0 H GLU A 92 -21.378 -3.251 -4.007 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.883 -4.384 -3.336 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -22.421 -4.189 -5.996 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -24.124 -4.553 -5.802 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -24.490 -2.341 -4.758 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -22.783 -1.976 -4.913 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.525 -6.418 -4.365 1.00 0.30 N ATOM 1563 CA ALA A 93 -21.128 -7.814 -4.474 1.00 0.30 C ATOM 1564 C ALA A 93 -20.258 -8.242 -3.292 1.00 0.26 C ATOM 1565 O ALA A 93 -19.939 -9.421 -3.143 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.389 -8.039 -5.781 1.00 0.36 C ATOM 0 H ALA A 93 -20.775 -5.754 -4.556 1.00 0.30 H new ATOM 0 HA ALA A 93 -22.030 -8.426 -4.459 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -20.094 -9.086 -5.857 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -21.041 -7.784 -6.616 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.500 -7.409 -5.809 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.877 -7.279 -2.454 1.00 0.18 N ATOM 1573 CA ASN A 94 -19.043 -7.555 -1.294 1.00 0.18 C ATOM 1574 C ASN A 94 -17.615 -7.857 -1.724 1.00 0.19 C ATOM 1575 O ASN A 94 -16.880 -8.543 -1.022 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.611 -8.728 -0.493 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.108 -8.616 -0.285 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.897 -9.131 -1.077 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.506 -7.938 0.785 1.00 0.44 N ATOM 0 H ASN A 94 -20.136 -6.298 -2.561 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.036 -6.669 -0.659 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.388 -9.660 -1.012 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.115 -8.776 0.476 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.502 -7.827 0.977 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.816 -7.528 1.415 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.225 -7.333 -2.881 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.883 -7.559 -3.402 1.00 0.15 C ATOM 1588 C ARG A 95 -14.984 -6.355 -3.159 1.00 0.13 C ATOM 1589 O ARG A 95 -15.460 -5.244 -2.928 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.941 -7.875 -4.895 1.00 0.18 C ATOM 1591 CG ARG A 95 -17.001 -8.900 -5.247 1.00 0.26 C ATOM 1592 CD ARG A 95 -17.056 -9.155 -6.743 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.344 -7.937 -7.497 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.652 -7.930 -8.791 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -17.717 -9.070 -9.466 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -17.896 -6.783 -9.411 1.00 1.98 N ATOM 0 H ARG A 95 -17.817 -6.751 -3.474 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.458 -8.411 -2.871 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.136 -6.956 -5.447 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.968 -8.242 -5.220 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.792 -9.834 -4.725 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.974 -8.552 -4.900 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -16.104 -9.570 -7.075 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.821 -9.902 -6.955 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.307 -7.044 -7.005 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -17.531 -9.954 -8.993 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.953 -9.062 -10.458 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -17.848 -5.904 -8.895 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -18.132 -6.780 -10.403 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.679 -6.590 -3.217 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.699 -5.537 -2.997 1.00 0.10 C ATOM 1612 C TYR A 96 -11.561 -5.620 -4.004 1.00 0.08 C ATOM 1613 O TYR A 96 -10.885 -6.643 -4.110 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.148 -5.643 -1.579 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.215 -5.495 -0.525 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.082 -6.541 -0.237 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.368 -4.303 0.168 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.071 -6.403 0.716 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.355 -4.155 1.120 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.205 -5.208 1.391 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.194 -5.065 2.336 1.00 0.17 O ATOM 0 H TYR A 96 -13.275 -7.505 -3.416 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.194 -4.575 -3.130 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.655 -6.607 -1.457 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.389 -4.875 -1.431 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -13.981 -7.477 -0.767 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.704 -3.478 -0.041 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.736 -7.226 0.932 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.462 -3.220 1.650 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.291 -5.902 2.837 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.349 -4.533 -4.736 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.288 -4.481 -5.731 1.00 0.07 C ATOM 1633 C LEU A 97 -8.987 -4.022 -5.095 1.00 0.07 C ATOM 1634 O LEU A 97 -8.855 -2.868 -4.699 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.660 -3.523 -6.860 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.619 -3.403 -7.974 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.533 -4.694 -8.773 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -9.951 -2.231 -8.884 1.00 0.13 C ATOM 0 H LEU A 97 -11.898 -3.677 -4.659 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.158 -5.484 -6.138 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.603 -3.850 -7.298 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.832 -2.534 -6.435 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.646 -3.222 -7.517 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.787 -4.586 -9.560 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.248 -5.513 -8.112 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.503 -4.910 -9.220 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.201 -2.158 -9.672 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -10.933 -2.384 -9.331 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -9.957 -1.309 -8.303 1.00 0.13 H new ATOM 1650 N ILE A 98 -8.024 -4.925 -5.010 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.740 -4.601 -4.420 1.00 0.09 C ATOM 1652 C ILE A 98 -5.610 -4.856 -5.398 1.00 0.09 C ATOM 1653 O ILE A 98 -5.772 -5.590 -6.371 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.487 -5.426 -3.149 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.425 -6.916 -3.483 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.570 -5.154 -2.118 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.074 -7.373 -3.989 1.00 0.11 C ATOM 0 H ILE A 98 -8.109 -5.886 -5.342 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.768 -3.542 -4.164 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.527 -5.129 -2.727 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.682 -7.489 -2.592 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.180 -7.142 -4.236 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.377 -5.746 -1.223 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.569 -4.095 -1.860 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.542 -5.426 -2.530 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.108 -8.441 -4.204 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.822 -6.827 -4.898 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.317 -7.180 -3.229 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.464 -4.247 -5.139 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.308 -4.436 -5.996 1.00 0.11 C ATOM 1671 C PHE A 99 -2.336 -5.410 -5.350 1.00 0.12 C ATOM 1672 O PHE A 99 -1.834 -5.164 -4.257 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.614 -3.107 -6.284 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.549 -3.225 -7.333 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.879 -3.205 -8.679 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.219 -3.365 -6.975 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.902 -3.321 -9.647 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.763 -3.483 -7.938 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.421 -3.461 -9.277 1.00 0.15 C ATOM 0 H PHE A 99 -4.311 -3.622 -4.348 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.650 -4.849 -6.945 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.356 -2.377 -6.606 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.171 -2.726 -5.364 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.912 -3.097 -8.974 1.00 0.16 H new ATOM 0 HD2 PHE A 99 0.053 -3.382 -5.930 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.172 -3.302 -10.693 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.797 -3.592 -7.646 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.187 -3.553 -10.033 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.083 -6.521 -6.029 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.177 -7.540 -5.516 1.00 0.20 C ATOM 1691 C ASP A 100 0.270 -7.058 -5.540 1.00 0.15 C ATOM 1692 O ASP A 100 0.864 -6.891 -6.603 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.313 -8.822 -6.336 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.626 -10.004 -5.680 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.534 -9.848 -5.244 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.245 -11.086 -5.609 1.00 0.58 O ATOM 0 H ASP A 100 -2.493 -6.740 -6.937 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.449 -7.742 -4.480 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.370 -9.051 -6.475 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -0.888 -8.663 -7.327 1.00 0.28 H new ATOM 1701 N LEU A 101 0.827 -6.832 -4.355 1.00 0.14 N ATOM 1702 CA LEU A 101 2.207 -6.377 -4.228 1.00 0.12 C ATOM 1703 C LEU A 101 3.191 -7.509 -4.512 1.00 0.13 C ATOM 1704 O LEU A 101 4.362 -7.268 -4.809 1.00 0.16 O ATOM 1705 CB LEU A 101 2.444 -5.812 -2.823 1.00 0.14 C ATOM 1706 CG LEU A 101 1.825 -4.434 -2.555 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.472 -4.303 -3.232 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.687 -4.198 -1.061 1.00 0.11 C ATOM 0 H LEU A 101 0.342 -6.957 -3.466 1.00 0.14 H new ATOM 0 HA LEU A 101 2.375 -5.592 -4.965 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.046 -6.518 -2.094 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.519 -5.748 -2.652 1.00 0.14 H new ATOM 0 HG LEU A 101 2.490 -3.679 -2.973 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.056 -3.317 -3.026 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.590 -4.429 -4.308 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.202 -5.069 -2.849 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.246 -3.216 -0.887 1.00 0.11 H new ATOM 0 HD22 LEU A 101 1.045 -4.966 -0.629 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.671 -4.242 -0.593 1.00 0.11 H new ATOM 1720 N GLU A 102 2.710 -8.747 -4.420 1.00 0.14 N ATOM 1721 CA GLU A 102 3.545 -9.916 -4.663 1.00 0.16 C ATOM 1722 C GLU A 102 3.644 -10.206 -6.154 1.00 0.16 C ATOM 1723 O GLU A 102 4.715 -10.525 -6.671 1.00 0.20 O ATOM 1724 CB GLU A 102 2.965 -11.136 -3.946 1.00 0.17 C ATOM 1725 CG GLU A 102 2.572 -10.864 -2.505 1.00 0.21 C ATOM 1726 CD GLU A 102 2.163 -12.122 -1.764 1.00 0.23 C ATOM 1727 OE1 GLU A 102 0.976 -12.500 -1.848 1.00 0.29 O ATOM 1728 OE2 GLU A 102 3.030 -12.729 -1.099 1.00 0.32 O ATOM 0 H GLU A 102 1.743 -8.964 -4.178 1.00 0.14 H new ATOM 0 HA GLU A 102 4.542 -9.707 -4.276 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.089 -11.486 -4.493 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.698 -11.942 -3.968 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.409 -10.397 -1.986 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.748 -10.151 -2.486 1.00 0.21 H new ATOM 1735 N GLN A 103 2.513 -10.090 -6.836 1.00 0.15 N ATOM 1736 CA GLN A 103 2.444 -10.347 -8.266 1.00 0.16 C ATOM 1737 C GLN A 103 2.532 -9.057 -9.071 1.00 0.15 C ATOM 1738 O GLN A 103 2.811 -9.083 -10.269 1.00 0.17 O ATOM 1739 CB GLN A 103 1.144 -11.073 -8.597 1.00 0.17 C ATOM 1740 CG GLN A 103 0.826 -12.188 -7.623 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.480 -12.887 -7.936 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.892 -12.977 -9.091 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.139 -13.384 -6.897 1.00 0.45 N ATOM 0 H GLN A 103 1.624 -9.817 -6.417 1.00 0.15 H new ATOM 0 HA GLN A 103 3.296 -10.971 -8.537 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.324 -10.355 -8.600 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.210 -11.485 -9.604 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.636 -12.918 -7.637 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.781 -11.780 -6.613 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.757 -13.285 -5.956 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -2.027 -13.865 -7.039 1.00 0.45 H new ATOM 1752 N ARG A 104 2.288 -7.929 -8.408 1.00 0.15 N ATOM 1753 CA ARG A 104 2.336 -6.632 -9.066 1.00 0.15 C ATOM 1754 C ARG A 104 1.167 -6.481 -10.026 1.00 0.16 C ATOM 1755 O ARG A 104 1.288 -5.855 -11.079 1.00 0.20 O ATOM 1756 CB ARG A 104 3.661 -6.466 -9.812 1.00 0.16 C ATOM 1757 CG ARG A 104 4.872 -6.774 -8.948 1.00 0.17 C ATOM 1758 CD ARG A 104 6.169 -6.493 -9.680 1.00 0.21 C ATOM 1759 NE ARG A 104 6.415 -7.447 -10.758 1.00 0.79 N ATOM 1760 CZ ARG A 104 7.450 -7.366 -11.587 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.322 -6.373 -11.467 1.00 0.64 N ATOM 1762 NH2 ARG A 104 7.616 -8.276 -12.537 1.00 1.67 N ATOM 0 H ARG A 104 2.055 -7.890 -7.416 1.00 0.15 H new ATOM 0 HA ARG A 104 2.263 -5.854 -8.306 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.666 -7.122 -10.682 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.737 -5.444 -10.183 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.831 -6.176 -8.038 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.845 -7.820 -8.644 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.141 -5.484 -10.091 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.997 -6.526 -8.972 1.00 0.21 H new ATOM 0 HE ARG A 104 5.757 -8.217 -10.881 1.00 0.79 H new ATOM 0 HH11 ARG A 104 8.198 -5.671 -10.738 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.116 -6.312 -12.104 1.00 0.64 H new ATOM 0 HH21 ARG A 104 6.948 -9.041 -12.633 1.00 1.67 H new ATOM 0 HH22 ARG A 104 8.412 -8.211 -13.172 1.00 1.67 H new ATOM 1776 N ASN A 105 0.032 -7.060 -9.652 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.161 -7.002 -10.482 1.00 0.16 C ATOM 1778 C ASN A 105 -2.411 -6.785 -9.637 1.00 0.13 C ATOM 1779 O ASN A 105 -2.455 -7.176 -8.470 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.300 -8.295 -11.283 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.468 -9.510 -10.389 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -2.007 -9.414 -9.289 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.007 -10.663 -10.860 1.00 0.45 N ATOM 0 H ASN A 105 -0.085 -7.574 -8.779 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.058 -6.158 -11.164 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.158 -8.216 -11.950 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.419 -8.428 -11.911 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.094 -11.513 -10.303 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.566 -10.699 -11.779 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.445 -6.149 -10.213 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.702 -5.893 -9.510 1.00 0.13 C ATOM 1792 C PRO A 106 -5.479 -7.176 -9.259 1.00 0.15 C ATOM 1793 O PRO A 106 -5.288 -8.176 -9.953 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.484 -4.976 -10.459 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.499 -4.532 -11.489 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.476 -5.624 -11.584 1.00 0.22 C ATOM 0 HA PRO A 106 -4.532 -5.451 -8.528 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.319 -5.506 -10.917 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.903 -4.124 -9.924 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -4.987 -4.370 -12.450 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.036 -3.588 -11.204 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.764 -6.389 -12.305 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.503 -5.243 -11.895 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.356 -7.142 -8.267 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.156 -8.306 -7.922 1.00 0.13 C ATOM 1806 C ARG A 107 -8.422 -7.902 -7.183 1.00 0.11 C ATOM 1807 O ARG A 107 -8.491 -6.832 -6.586 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.338 -9.267 -7.062 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.268 -10.013 -7.837 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.536 -11.015 -6.957 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.452 -11.961 -6.322 1.00 0.35 N ATOM 1812 CZ ARG A 107 -5.913 -13.055 -6.920 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -5.564 -13.329 -8.170 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -6.726 -13.876 -6.270 1.00 1.02 N ATOM 0 H ARG A 107 -6.531 -6.321 -7.687 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.445 -8.804 -8.847 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.866 -8.707 -6.254 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -7.010 -9.989 -6.599 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.724 -10.533 -8.680 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.554 -9.301 -8.250 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.810 -11.562 -7.558 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -3.977 -10.481 -6.189 1.00 0.27 H new ATOM 0 HE ARG A 107 -5.754 -11.771 -5.367 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -4.940 -12.699 -8.675 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -5.919 -14.169 -8.626 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -6.999 -13.669 -5.309 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -7.079 -14.715 -6.731 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.420 -8.772 -7.228 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.685 -8.516 -6.557 1.00 0.12 C ATOM 1830 C VAL A 108 -10.967 -9.593 -5.518 1.00 0.12 C ATOM 1831 O VAL A 108 -11.219 -10.748 -5.860 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.861 -8.456 -7.551 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.165 -8.177 -6.818 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.607 -7.403 -8.617 1.00 0.61 C ATOM 0 H VAL A 108 -9.378 -9.663 -7.723 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.595 -7.545 -6.069 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.946 -9.425 -8.043 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -13.985 -8.138 -7.536 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.353 -8.971 -6.095 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.093 -7.222 -6.298 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.448 -7.376 -9.309 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.494 -6.427 -8.145 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.696 -7.650 -9.162 1.00 0.61 H new ATOM 1844 N LEU A 109 -10.920 -9.208 -4.250 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.163 -10.147 -3.165 1.00 0.12 C ATOM 1846 C LEU A 109 -12.600 -10.073 -2.693 1.00 0.12 C ATOM 1847 O LEU A 109 -13.249 -9.034 -2.791 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.239 -9.858 -1.985 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.761 -10.153 -2.225 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.202 -9.222 -3.286 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -7.984 -10.018 -0.924 1.00 0.14 C ATOM 0 H LEU A 109 -10.716 -8.255 -3.949 1.00 0.12 H new ATOM 0 HA LEU A 109 -10.963 -11.147 -3.549 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.343 -8.808 -1.712 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.575 -10.444 -1.130 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.659 -11.177 -2.584 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.147 -9.445 -3.446 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.748 -9.363 -4.219 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.309 -8.189 -2.956 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -6.930 -10.230 -1.106 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.089 -9.003 -0.541 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.375 -10.724 -0.192 1.00 0.14 H new ATOM 1863 N GLU A 110 -13.091 -11.185 -2.176 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.442 -11.242 -1.664 1.00 0.13 C ATOM 1865 C GLU A 110 -14.441 -10.786 -0.217 1.00 0.12 C ATOM 1866 O GLU A 110 -13.439 -10.940 0.480 1.00 0.12 O ATOM 1867 CB GLU A 110 -14.995 -12.660 -1.776 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.636 -13.339 -3.087 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.325 -14.679 -3.262 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -16.470 -14.696 -3.762 1.00 0.33 O ATOM 1871 OE2 GLU A 110 -14.721 -15.709 -2.897 1.00 0.34 O ATOM 0 H GLU A 110 -12.571 -12.060 -2.101 1.00 0.13 H new ATOM 0 HA GLU A 110 -15.082 -10.584 -2.252 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.615 -13.258 -0.948 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -16.080 -12.629 -1.675 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.907 -12.685 -3.916 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.556 -13.482 -3.133 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.548 -10.231 0.245 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.625 -9.747 1.617 1.00 0.13 C ATOM 1880 C GLN A 111 -15.082 -10.782 2.590 1.00 0.12 C ATOM 1881 O GLN A 111 -14.322 -10.458 3.499 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.058 -9.388 1.981 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.195 -8.922 3.412 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.537 -8.288 3.701 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.558 -8.667 3.126 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.538 -7.308 4.593 1.00 0.31 N ATOM 0 H GLN A 111 -16.400 -10.104 -0.302 1.00 0.13 H new ATOM 0 HA GLN A 111 -15.011 -8.850 1.689 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.413 -8.604 1.312 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.698 -10.256 1.823 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.049 -9.771 4.080 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.405 -8.204 3.632 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.667 -7.028 5.044 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.410 -6.834 4.829 1.00 0.31 H new ATOM 1895 N SER A 112 -15.469 -12.030 2.388 1.00 0.13 N ATOM 1896 CA SER A 112 -14.993 -13.106 3.242 1.00 0.14 C ATOM 1897 C SER A 112 -13.472 -13.153 3.194 1.00 0.14 C ATOM 1898 O SER A 112 -12.813 -13.427 4.197 1.00 0.16 O ATOM 1899 CB SER A 112 -15.576 -14.447 2.795 1.00 0.16 C ATOM 1900 OG SER A 112 -15.211 -15.485 3.688 1.00 0.95 O ATOM 0 H SER A 112 -16.106 -12.322 1.647 1.00 0.13 H new ATOM 0 HA SER A 112 -15.319 -12.918 4.265 1.00 0.14 H new ATOM 0 HB2 SER A 112 -16.662 -14.375 2.741 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.222 -14.685 1.792 1.00 0.16 H new ATOM 0 HG SER A 112 -15.597 -16.332 3.381 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.926 -12.883 2.012 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.485 -12.873 1.815 1.00 0.13 C ATOM 1908 C GLU A 113 -10.873 -11.612 2.408 1.00 0.14 C ATOM 1909 O GLU A 113 -9.929 -11.676 3.196 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.154 -12.959 0.327 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.618 -14.249 -0.322 1.00 0.18 C ATOM 1912 CD GLU A 113 -10.936 -15.473 0.259 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -11.450 -16.021 1.256 1.00 0.30 O ATOM 1914 OE2 GLU A 113 -9.888 -15.881 -0.284 1.00 0.31 O ATOM 0 H GLU A 113 -13.465 -12.667 1.174 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.064 -13.740 2.324 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.614 -12.116 -0.189 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.076 -12.863 0.196 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.697 -14.346 -0.199 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.423 -14.203 -1.393 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.420 -10.466 2.020 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.931 -9.189 2.509 1.00 0.12 C ATOM 1923 C PHE A 114 -11.063 -9.115 4.023 1.00 0.13 C ATOM 1924 O PHE A 114 -10.115 -8.769 4.722 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.692 -8.037 1.851 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.181 -6.689 2.260 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -11.684 -6.053 3.383 1.00 0.14 C ATOM 1928 CD2 PHE A 114 -10.205 -6.054 1.514 1.00 0.12 C ATOM 1929 CE1 PHE A 114 -11.218 -4.807 3.755 1.00 0.15 C ATOM 1930 CE2 PHE A 114 -9.738 -4.807 1.880 1.00 0.13 C ATOM 1931 CZ PHE A 114 -10.223 -4.201 3.030 1.00 0.14 C ATOM 0 H PHE A 114 -12.202 -10.398 1.368 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.876 -9.100 2.248 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.620 -8.133 0.768 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.748 -8.113 2.109 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -12.448 -6.536 3.974 1.00 0.14 H new ATOM 0 HD2 PHE A 114 -9.804 -6.538 0.636 1.00 0.12 H new ATOM 0 HE1 PHE A 114 -11.637 -4.309 4.617 1.00 0.15 H new ATOM 0 HE2 PHE A 114 -8.998 -4.306 1.274 1.00 0.13 H new ATOM 0 HZ PHE A 114 -9.818 -3.254 3.354 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.248 -9.445 4.524 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.502 -9.437 5.959 1.00 0.14 C ATOM 1943 C GLU A 115 -11.496 -10.322 6.670 1.00 0.15 C ATOM 1944 O GLU A 115 -11.072 -10.040 7.791 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.912 -9.944 6.254 1.00 0.14 C ATOM 1946 CG GLU A 115 -15.009 -8.970 5.875 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.376 -9.418 6.356 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.759 -10.570 6.066 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.063 -8.613 7.020 1.00 0.66 O ATOM 0 H GLU A 115 -13.049 -9.722 3.956 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.407 -8.412 6.318 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.070 -10.880 5.718 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.991 -10.169 7.318 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.782 -7.991 6.296 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -15.029 -8.854 4.791 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.124 -11.398 5.998 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.177 -12.361 6.538 1.00 0.15 C ATOM 1958 C ALA A 116 -8.747 -11.826 6.513 1.00 0.16 C ATOM 1959 O ALA A 116 -7.847 -12.418 7.109 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.270 -13.657 5.752 1.00 0.17 C ATOM 0 H ALA A 116 -11.468 -11.629 5.066 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.435 -12.544 7.581 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.561 -14.379 6.156 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.280 -14.058 5.830 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -10.036 -13.465 4.705 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.537 -10.706 5.824 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.208 -10.115 5.725 1.00 0.18 C ATOM 1968 C LEU A 117 -7.155 -8.753 6.408 1.00 0.19 C ATOM 1969 O LEU A 117 -6.169 -8.413 7.061 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.812 -9.974 4.256 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.847 -11.272 3.453 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.769 -10.984 1.963 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.713 -12.193 3.881 1.00 0.23 C ATOM 0 H LEU A 117 -9.267 -10.193 5.329 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.505 -10.776 6.232 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.479 -9.253 3.783 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.805 -9.559 4.204 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.793 -11.774 3.653 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.795 -11.922 1.409 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.616 -10.364 1.667 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.840 -10.458 1.742 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.753 -13.114 3.299 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.757 -11.697 3.711 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.816 -12.429 4.940 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.222 -7.980 6.255 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.294 -6.649 6.843 1.00 0.14 C ATOM 1987 C TYR A 118 -8.060 -6.701 8.347 1.00 0.20 C ATOM 1988 O TYR A 118 -8.539 -7.607 9.029 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.652 -6.013 6.549 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.669 -4.514 6.738 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.727 -3.700 6.121 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.633 -3.915 7.535 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.748 -2.329 6.297 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.662 -2.547 7.714 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.686 -1.756 7.079 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.745 -0.395 7.269 1.00 0.33 O ATOM 0 H TYR A 118 -9.051 -8.253 5.727 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.509 -6.040 6.395 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.939 -6.245 5.523 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.403 -6.462 7.199 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -7.968 -4.145 5.495 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.374 -4.530 8.024 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.009 -1.713 5.806 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.421 -2.091 8.331 1.00 0.23 H new ATOM 0 HH TYR A 118 -9.976 -0.205 8.202 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.322 -5.722 8.858 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.029 -5.654 10.285 1.00 0.29 C ATOM 2008 C GLN A 119 -7.648 -4.410 10.925 1.00 0.26 C ATOM 2009 O GLN A 119 -7.282 -4.030 12.037 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.517 -5.658 10.519 1.00 0.36 C ATOM 2011 CG GLN A 119 -4.819 -6.895 9.981 1.00 0.56 C ATOM 2012 CD GLN A 119 -3.382 -6.998 10.449 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -2.725 -5.989 10.702 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -2.887 -8.223 10.565 1.00 0.36 N ATOM 0 H GLN A 119 -6.916 -4.966 8.307 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.470 -6.534 10.754 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.083 -4.774 10.051 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.324 -5.579 11.589 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -5.366 -7.783 10.297 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -4.843 -6.877 8.891 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -3.469 -9.031 10.344 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -1.925 -8.357 10.875 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.586 -3.778 10.220 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.231 -2.586 10.745 1.00 0.25 C ATOM 2025 C GLY A 120 -8.392 -1.329 10.582 1.00 0.22 C ATOM 2026 O GLY A 120 -8.858 -0.227 10.872 1.00 0.35 O ATOM 0 H GLY A 120 -8.909 -4.070 9.298 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.186 -2.445 10.239 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.449 -2.735 11.803 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.155 -1.486 10.117 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.264 -0.350 9.921 1.00 0.18 C ATOM 2032 C HIS A 121 -5.882 -0.213 8.457 1.00 0.17 C ATOM 2033 O HIS A 121 -5.568 -1.199 7.791 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.003 -0.500 10.772 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.181 -0.057 12.187 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -4.939 -0.875 13.271 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.573 1.133 12.695 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.177 -0.205 14.385 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.562 1.015 14.062 1.00 0.29 N ATOM 0 H HIS A 121 -6.749 -2.388 9.870 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.795 0.550 10.232 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.691 -1.544 10.763 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.197 0.077 10.318 1.00 0.21 H new ATOM 0 HD1 HIS A 121 -4.626 -1.844 13.221 1.00 0.29 H new ATOM 0 HD2 HIS A 121 -5.844 2.013 12.130 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.074 -0.590 15.389 1.00 0.32 H new ATOM 2048 N ILE A 122 -5.910 1.016 7.959 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.563 1.277 6.574 1.00 0.08 C ATOM 2050 C ILE A 122 -4.817 2.599 6.441 1.00 0.08 C ATOM 2051 O ILE A 122 -5.092 3.555 7.168 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.818 1.288 5.677 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.417 1.212 4.209 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.666 2.525 5.938 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.535 0.738 3.309 1.00 0.12 C ATOM 0 H ILE A 122 -6.169 1.844 8.495 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.909 0.470 6.243 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.420 0.413 5.921 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -6.086 2.196 3.878 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.566 0.538 4.106 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.544 2.507 5.292 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.983 2.536 6.981 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -7.079 3.419 5.728 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.183 0.707 2.278 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.851 -0.259 3.615 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.378 1.424 3.384 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.874 2.645 5.511 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.080 3.842 5.293 1.00 0.08 C ATOM 2069 C ILE A 123 -3.597 4.646 4.110 1.00 0.08 C ATOM 2070 O ILE A 123 -3.578 4.182 2.969 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.601 3.488 5.063 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.070 2.718 6.269 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.778 4.746 4.824 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.328 2.176 6.085 1.00 0.10 C ATOM 0 H ILE A 123 -3.641 1.866 4.896 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.167 4.450 6.193 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.518 2.862 4.175 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.083 3.373 7.140 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.745 1.889 6.484 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.265 4.473 4.664 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.156 5.267 3.944 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.853 5.400 5.693 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.633 1.642 6.985 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.345 1.494 5.235 1.00 0.10 H new ATOM 0 HD13 ILE A 123 1.017 3.001 5.902 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.060 5.854 4.397 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.577 6.737 3.364 1.00 0.09 C ATOM 2088 C LEU A 124 -3.458 7.617 2.819 1.00 0.09 C ATOM 2089 O LEU A 124 -2.756 8.282 3.580 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.703 7.606 3.928 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.836 6.836 4.610 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.864 7.801 5.181 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.492 5.870 3.633 1.00 0.13 C ATOM 0 H LEU A 124 -4.088 6.245 5.339 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.976 6.131 2.551 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.276 8.306 4.646 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.124 8.199 3.117 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.414 6.256 5.431 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.663 7.238 5.663 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.385 8.451 5.914 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.281 8.407 4.376 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.295 5.332 4.137 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.901 6.427 2.790 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.750 5.158 3.271 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.295 7.619 1.501 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.250 8.409 0.870 1.00 0.11 C ATOM 2107 C ILE A 125 -2.833 9.522 0.008 1.00 0.12 C ATOM 2108 O ILE A 125 -3.955 9.427 -0.488 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.318 7.526 0.009 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.611 6.495 0.886 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.294 8.369 -0.743 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.402 5.224 1.089 1.00 0.11 C ATOM 0 H ILE A 125 -3.872 7.084 0.852 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.668 8.858 1.675 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.932 7.008 -0.728 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.350 6.246 0.436 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.401 6.941 1.858 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.346 7.718 -1.339 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.811 9.069 -1.399 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.316 8.923 -0.029 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.836 4.540 1.722 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.352 5.459 1.568 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.589 4.754 0.124 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.046 10.574 -0.156 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.438 11.723 -0.951 1.00 0.14 C ATOM 2126 C ALA A 126 -1.204 12.482 -1.410 1.00 0.13 C ATOM 2127 O ALA A 126 -0.164 12.443 -0.755 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.353 12.634 -0.153 1.00 0.17 C ATOM 0 H ALA A 126 -1.118 10.653 0.259 1.00 0.12 H new ATOM 0 HA ALA A 126 -2.983 11.373 -1.828 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.637 13.490 -0.764 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.248 12.085 0.140 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.832 12.982 0.739 1.00 0.17 H new ATOM 2134 N SER A 127 -1.317 13.169 -2.534 1.00 0.19 N ATOM 2135 CA SER A 127 -0.196 13.927 -3.065 1.00 0.19 C ATOM 2136 C SER A 127 -0.605 15.351 -3.408 1.00 0.26 C ATOM 2137 O SER A 127 -1.776 15.629 -3.667 1.00 0.28 O ATOM 2138 CB SER A 127 0.376 13.232 -4.299 1.00 0.23 C ATOM 2139 OG SER A 127 1.498 13.933 -4.807 1.00 0.27 O ATOM 0 H SER A 127 -2.168 13.218 -3.094 1.00 0.19 H new ATOM 0 HA SER A 127 0.573 13.973 -2.293 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.665 12.213 -4.044 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.392 13.162 -5.069 1.00 0.23 H new ATOM 0 HG SER A 127 1.846 13.466 -5.595 1.00 0.27 H new