USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 TYR OH : rot -133:sc= -3.84! USER MOD Set 1.2: A 111 GLN : amide:sc= 0 X(o=-3.8,f=-3.9) USER MOD Set 2.1: A 103 GLN : amide:sc= 0.974 K(o=-1.7,f=-6.5) USER MOD Set 2.2: A 105 ASN : amide:sc= -2.63! C(o=-1.7!,f=-5.5!) USER MOD Set 3.1: A 59 GLN : amide:sc= -5.12! C(o=-6.3!,f=-11!) USER MOD Set 3.2: A 121 HIS : no HE2:sc= -1.21 X(o=-6.3,f=-6.4) USER MOD Single : A 9 TYR OH : rot -107:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 15:sc= -2.82 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -1.02! USER MOD Single : A 21 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-3.7) USER MOD Single : A 22 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.15) USER MOD Single : A 24 SER OG : rot 180:sc= -0.117 USER MOD Single : A 26 ASN : amide:sc= -0.955 X(o=-0.95,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -22:sc= 1.12 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 73:sc= 0.524 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0085 (180deg=-0.179) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 68 ASN : amide:sc= -0.965 K(o=-0.96,f=-0.44) USER MOD Single : A 71 SER OG : rot -132:sc= 0.219 USER MOD Single : A 83 HIS : no HD1:sc= -0.735 K(o=-0.73,f=-9.4!) USER MOD Single : A 87 THR OG1 : rot -38:sc= -2.64 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.204) USER MOD Single : A 94 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -148:sc= 0.998 USER MOD Single : A 119 GLN : amide:sc= -0.871 K(o=-0.87,f=-1.7!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.147 -8.831 -1.300 1.00 0.35 N ATOM 147 CA ILE A 7 11.126 -7.861 -1.657 1.00 0.28 C ATOM 148 C ILE A 7 10.290 -7.469 -0.448 1.00 0.24 C ATOM 149 O ILE A 7 10.071 -8.270 0.461 1.00 0.31 O ATOM 150 CB ILE A 7 10.194 -8.408 -2.752 1.00 0.29 C ATOM 151 CG1 ILE A 7 11.002 -8.797 -3.986 1.00 0.36 C ATOM 152 CG2 ILE A 7 9.130 -7.381 -3.114 1.00 0.27 C ATOM 153 CD1 ILE A 7 10.148 -9.304 -5.126 1.00 0.43 C ATOM 0 HA ILE A 7 11.646 -6.981 -2.035 1.00 0.28 H new ATOM 0 HB ILE A 7 9.693 -9.297 -2.368 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.572 -7.932 -4.325 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.723 -9.567 -3.711 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.481 -7.787 -3.890 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.536 -7.146 -2.231 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.610 -6.474 -3.481 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.786 -9.563 -5.971 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.597 -10.188 -4.803 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.444 -8.528 -5.427 1.00 0.43 H new ATOM 165 N ASP A 8 9.828 -6.228 -0.452 1.00 0.19 N ATOM 166 CA ASP A 8 9.007 -5.714 0.630 1.00 0.16 C ATOM 167 C ASP A 8 7.744 -5.074 0.072 1.00 0.14 C ATOM 168 O ASP A 8 7.779 -3.967 -0.467 1.00 0.14 O ATOM 169 CB ASP A 8 9.789 -4.695 1.455 1.00 0.19 C ATOM 170 CG ASP A 8 8.998 -4.193 2.647 1.00 1.13 C ATOM 171 OD1 ASP A 8 8.904 -4.932 3.649 1.00 1.06 O ATOM 172 OD2 ASP A 8 8.469 -3.064 2.577 1.00 2.04 O ATOM 0 H ASP A 8 10.010 -5.556 -1.198 1.00 0.19 H new ATOM 0 HA ASP A 8 8.727 -6.545 1.277 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.718 -5.148 1.802 1.00 0.19 H new ATOM 0 HB3 ASP A 8 10.063 -3.851 0.822 1.00 0.19 H new ATOM 177 N TYR A 9 6.628 -5.780 0.203 1.00 0.12 N ATOM 178 CA TYR A 9 5.351 -5.291 -0.293 1.00 0.12 C ATOM 179 C TYR A 9 5.090 -3.877 0.200 1.00 0.11 C ATOM 180 O TYR A 9 4.501 -3.061 -0.507 1.00 0.12 O ATOM 181 CB TYR A 9 4.225 -6.223 0.147 1.00 0.14 C ATOM 182 CG TYR A 9 4.527 -7.675 -0.122 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.088 -8.071 -1.328 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.256 -8.647 0.828 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.371 -9.398 -1.581 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.535 -9.978 0.585 1.00 0.27 C ATOM 187 CZ TYR A 9 5.093 -10.349 -0.621 1.00 0.23 C ATOM 188 OH TYR A 9 5.373 -11.674 -0.866 1.00 0.27 O ATOM 0 H TYR A 9 6.583 -6.696 0.650 1.00 0.12 H new ATOM 0 HA TYR A 9 5.387 -5.272 -1.382 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.043 -6.086 1.213 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.307 -5.946 -0.371 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.307 -7.328 -2.081 1.00 0.15 H new ATOM 0 HD2 TYR A 9 3.820 -8.359 1.773 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.807 -9.690 -2.525 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.317 -10.724 1.335 1.00 0.27 H new ATOM 0 HH TYR A 9 4.537 -12.163 -1.017 1.00 0.27 H new ATOM 198 N GLY A 10 5.544 -3.586 1.412 1.00 0.10 N ATOM 199 CA GLY A 10 5.350 -2.265 1.955 1.00 0.11 C ATOM 200 C GLY A 10 6.054 -1.231 1.114 1.00 0.10 C ATOM 201 O GLY A 10 5.429 -0.319 0.579 1.00 0.12 O ATOM 0 H GLY A 10 6.039 -4.238 2.021 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.285 -2.039 2.001 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.728 -2.228 2.977 1.00 0.11 H new ATOM 205 N LEU A 11 7.358 -1.397 0.962 1.00 0.10 N ATOM 206 CA LEU A 11 8.146 -0.479 0.165 1.00 0.11 C ATOM 207 C LEU A 11 7.597 -0.429 -1.247 1.00 0.11 C ATOM 208 O LEU A 11 7.561 0.626 -1.881 1.00 0.16 O ATOM 209 CB LEU A 11 9.604 -0.922 0.142 1.00 0.13 C ATOM 210 CG LEU A 11 10.565 0.068 -0.503 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.521 1.403 0.225 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.971 -0.504 -0.503 1.00 0.23 C ATOM 0 H LEU A 11 7.890 -2.159 1.381 1.00 0.10 H new ATOM 0 HA LEU A 11 8.090 0.516 0.607 1.00 0.11 H new ATOM 0 HB2 LEU A 11 9.929 -1.107 1.166 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.672 -1.871 -0.390 1.00 0.13 H new ATOM 0 HG LEU A 11 10.260 0.239 -1.535 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.214 2.099 -0.249 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.511 1.809 0.179 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.807 1.259 1.267 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.654 0.209 -0.966 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.286 -0.695 0.523 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.984 -1.437 -1.066 1.00 0.23 H new ATOM 224 N TYR A 12 7.168 -1.586 -1.732 1.00 0.09 N ATOM 225 CA TYR A 12 6.602 -1.689 -3.064 1.00 0.09 C ATOM 226 C TYR A 12 5.323 -0.876 -3.141 1.00 0.09 C ATOM 227 O TYR A 12 5.142 -0.062 -4.046 1.00 0.12 O ATOM 228 CB TYR A 12 6.320 -3.148 -3.408 1.00 0.09 C ATOM 229 CG TYR A 12 5.799 -3.343 -4.808 1.00 0.10 C ATOM 230 CD1 TYR A 12 6.262 -2.559 -5.854 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.847 -4.313 -5.083 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.790 -2.736 -7.139 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.369 -4.498 -6.365 1.00 0.12 C ATOM 234 CZ TYR A 12 4.834 -3.695 -7.388 1.00 0.15 C ATOM 235 OH TYR A 12 4.368 -3.889 -8.668 1.00 0.18 O ATOM 0 H TYR A 12 7.203 -2.467 -1.219 1.00 0.09 H new ATOM 0 HA TYR A 12 7.319 -1.296 -3.785 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.236 -3.726 -3.285 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.594 -3.547 -2.699 1.00 0.09 H new ATOM 0 HD1 TYR A 12 7.003 -1.798 -5.660 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.474 -4.934 -4.282 1.00 0.10 H new ATOM 0 HE1 TYR A 12 6.169 -2.125 -7.945 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.636 -5.265 -6.567 1.00 0.12 H new ATOM 0 HH TYR A 12 4.970 -3.450 -9.305 1.00 0.18 H new ATOM 245 N ALA A 13 4.437 -1.101 -2.176 1.00 0.10 N ATOM 246 CA ALA A 13 3.182 -0.374 -2.119 1.00 0.12 C ATOM 247 C ALA A 13 3.457 1.117 -2.111 1.00 0.12 C ATOM 248 O ALA A 13 2.720 1.905 -2.702 1.00 0.13 O ATOM 249 CB ALA A 13 2.391 -0.780 -0.886 1.00 0.13 C ATOM 0 H ALA A 13 4.568 -1.780 -1.426 1.00 0.10 H new ATOM 0 HA ALA A 13 2.587 -0.618 -2.999 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.453 -0.226 -0.857 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.181 -1.849 -0.924 1.00 0.13 H new ATOM 0 HB3 ALA A 13 2.972 -0.556 0.009 1.00 0.13 H new ATOM 255 N LEU A 14 4.536 1.494 -1.434 1.00 0.11 N ATOM 256 CA LEU A 14 4.939 2.887 -1.359 1.00 0.11 C ATOM 257 C LEU A 14 5.287 3.381 -2.752 1.00 0.12 C ATOM 258 O LEU A 14 4.911 4.481 -3.150 1.00 0.14 O ATOM 259 CB LEU A 14 6.148 3.039 -0.435 1.00 0.12 C ATOM 260 CG LEU A 14 6.110 4.247 0.504 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.500 4.545 1.038 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.539 5.470 -0.199 1.00 0.10 C ATOM 0 H LEU A 14 5.146 0.851 -0.930 1.00 0.11 H new ATOM 0 HA LEU A 14 4.117 3.479 -0.955 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.239 2.135 0.167 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.047 3.105 -1.048 1.00 0.12 H new ATOM 0 HG LEU A 14 5.456 4.003 1.342 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.457 5.407 1.704 1.00 0.11 H new ATOM 0 HD12 LEU A 14 7.872 3.680 1.587 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.170 4.763 0.206 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.524 6.313 0.492 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.160 5.718 -1.060 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.524 5.257 -0.533 1.00 0.10 H new ATOM 274 N GLU A 15 6.022 2.550 -3.481 1.00 0.11 N ATOM 275 CA GLU A 15 6.416 2.865 -4.847 1.00 0.13 C ATOM 276 C GLU A 15 5.182 3.035 -5.716 1.00 0.13 C ATOM 277 O GLU A 15 5.040 4.018 -6.436 1.00 0.15 O ATOM 278 CB GLU A 15 7.279 1.743 -5.417 1.00 0.14 C ATOM 279 CG GLU A 15 8.613 1.574 -4.720 1.00 0.16 C ATOM 280 CD GLU A 15 9.331 0.307 -5.148 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.899 0.293 -6.260 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.326 -0.670 -4.369 1.00 0.35 O ATOM 0 H GLU A 15 6.359 1.647 -3.145 1.00 0.11 H new ATOM 0 HA GLU A 15 6.988 3.793 -4.839 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.726 0.806 -5.353 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.456 1.937 -6.475 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.244 2.436 -4.934 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.457 1.554 -3.641 1.00 0.16 H new ATOM 289 N ILE A 16 4.293 2.056 -5.636 1.00 0.11 N ATOM 290 CA ILE A 16 3.060 2.068 -6.402 1.00 0.12 C ATOM 291 C ILE A 16 2.250 3.313 -6.093 1.00 0.11 C ATOM 292 O ILE A 16 1.770 4.001 -6.994 1.00 0.14 O ATOM 293 CB ILE A 16 2.214 0.829 -6.077 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.011 -0.443 -6.357 1.00 0.13 C ATOM 295 CG2 ILE A 16 0.918 0.840 -6.871 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.314 -1.695 -5.891 1.00 0.25 C ATOM 0 H ILE A 16 4.407 1.236 -5.041 1.00 0.11 H new ATOM 0 HA ILE A 16 3.324 2.062 -7.459 1.00 0.12 H new ATOM 0 HB ILE A 16 1.959 0.851 -5.017 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.200 -0.517 -7.428 1.00 0.13 H new ATOM 0 HG13 ILE A 16 3.982 -0.371 -5.866 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.333 -0.047 -6.626 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.345 1.733 -6.620 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.145 0.842 -7.937 1.00 0.13 H new ATOM 0 HD11 ILE A 16 2.933 -2.563 -6.120 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.149 -1.641 -4.815 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.355 -1.789 -6.401 1.00 0.25 H new ATOM 308 N LEU A 17 2.101 3.593 -4.808 1.00 0.10 N ATOM 309 CA LEU A 17 1.356 4.757 -4.365 1.00 0.10 C ATOM 310 C LEU A 17 2.122 6.018 -4.716 1.00 0.11 C ATOM 311 O LEU A 17 1.544 7.017 -5.141 1.00 0.16 O ATOM 312 CB LEU A 17 1.114 4.680 -2.862 1.00 0.10 C ATOM 313 CG LEU A 17 0.318 3.457 -2.415 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.532 3.195 -0.936 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.158 3.649 -2.724 1.00 0.12 C ATOM 0 H LEU A 17 2.488 3.027 -4.053 1.00 0.10 H new ATOM 0 HA LEU A 17 0.390 4.781 -4.870 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.077 4.679 -2.351 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.585 5.579 -2.545 1.00 0.10 H new ATOM 0 HG LEU A 17 0.673 2.587 -2.967 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.043 2.319 -0.635 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.591 3.016 -0.748 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.202 4.061 -0.362 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.715 2.770 -2.400 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.529 4.528 -2.197 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.290 3.787 -3.797 1.00 0.12 H new ATOM 327 N ALA A 18 3.436 5.959 -4.549 1.00 0.08 N ATOM 328 CA ALA A 18 4.286 7.090 -4.862 1.00 0.10 C ATOM 329 C ALA A 18 4.216 7.381 -6.349 1.00 0.12 C ATOM 330 O ALA A 18 4.104 8.526 -6.772 1.00 0.14 O ATOM 331 CB ALA A 18 5.721 6.818 -4.439 1.00 0.11 C ATOM 0 H ALA A 18 3.932 5.139 -4.199 1.00 0.08 H new ATOM 0 HA ALA A 18 3.933 7.961 -4.310 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.342 7.680 -4.683 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.756 6.639 -3.364 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.095 5.940 -4.966 1.00 0.11 H new ATOM 337 N GLN A 19 4.272 6.322 -7.138 1.00 0.14 N ATOM 338 CA GLN A 19 4.199 6.444 -8.581 1.00 0.16 C ATOM 339 C GLN A 19 2.768 6.713 -9.006 1.00 0.16 C ATOM 340 O GLN A 19 2.517 7.351 -10.030 1.00 0.18 O ATOM 341 CB GLN A 19 4.721 5.177 -9.247 1.00 0.20 C ATOM 342 CG GLN A 19 6.209 4.965 -9.045 1.00 0.23 C ATOM 343 CD GLN A 19 6.795 3.953 -10.010 1.00 0.32 C ATOM 344 OE1 GLN A 19 7.200 4.300 -11.120 1.00 0.80 O ATOM 345 NE2 GLN A 19 6.852 2.695 -9.590 1.00 0.40 N ATOM 0 H GLN A 19 4.368 5.364 -6.800 1.00 0.14 H new ATOM 0 HA GLN A 19 4.823 7.281 -8.896 1.00 0.16 H new ATOM 0 HB2 GLN A 19 4.181 4.317 -8.851 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.509 5.222 -10.315 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.727 5.917 -9.165 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.388 4.632 -8.023 1.00 0.23 H new ATOM 0 HE21 GLN A 19 6.505 2.451 -8.662 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.243 1.973 -10.195 1.00 0.40 H new ATOM 354 N TYR A 20 1.828 6.219 -8.208 1.00 0.16 N ATOM 355 CA TYR A 20 0.419 6.424 -8.481 1.00 0.17 C ATOM 356 C TYR A 20 0.100 7.903 -8.361 1.00 0.16 C ATOM 357 O TYR A 20 -0.740 8.439 -9.083 1.00 0.17 O ATOM 358 CB TYR A 20 -0.432 5.624 -7.501 1.00 0.19 C ATOM 359 CG TYR A 20 -1.911 5.883 -7.643 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.682 5.151 -8.533 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.532 6.866 -6.886 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.036 5.390 -8.666 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.885 7.113 -7.012 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.633 6.373 -7.904 1.00 0.30 C ATOM 365 OH TYR A 20 -5.982 6.615 -8.034 1.00 0.36 O ATOM 0 H TYR A 20 2.021 5.674 -7.368 1.00 0.16 H new ATOM 0 HA TYR A 20 0.193 6.082 -9.491 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.241 4.561 -7.649 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.124 5.865 -6.483 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.217 4.382 -9.132 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -1.948 7.447 -6.187 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.624 4.811 -9.363 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.355 7.881 -6.416 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.245 7.337 -7.426 1.00 0.36 H new ATOM 375 N HIS A 21 0.793 8.553 -7.433 1.00 0.14 N ATOM 376 CA HIS A 21 0.625 9.975 -7.201 1.00 0.15 C ATOM 377 C HIS A 21 1.627 10.790 -8.018 1.00 0.16 C ATOM 378 O HIS A 21 1.612 12.020 -7.976 1.00 0.20 O ATOM 379 CB HIS A 21 0.789 10.282 -5.716 1.00 0.18 C ATOM 380 CG HIS A 21 -0.426 9.959 -4.905 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.461 10.852 -4.780 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.725 8.835 -4.209 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.361 10.258 -4.018 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.959 9.034 -3.647 1.00 0.23 N ATOM 0 H HIS A 21 1.482 8.109 -6.826 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.379 10.256 -7.520 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.637 9.718 -5.327 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.027 11.339 -5.595 1.00 0.18 H new ATOM 0 HD2 HIS A 21 -0.109 7.953 -4.115 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.302 10.702 -3.730 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.473 8.377 -3.060 1.00 0.23 H new ATOM 392 N ASN A 22 2.502 10.101 -8.756 1.00 0.15 N ATOM 393 CA ASN A 22 3.497 10.767 -9.587 1.00 0.18 C ATOM 394 C ASN A 22 4.588 11.391 -8.731 1.00 0.19 C ATOM 395 O ASN A 22 5.221 12.370 -9.127 1.00 0.21 O ATOM 396 CB ASN A 22 2.840 11.839 -10.456 1.00 0.20 C ATOM 397 CG ASN A 22 1.613 11.328 -11.188 1.00 0.87 C ATOM 398 OD1 ASN A 22 0.652 12.067 -11.399 1.00 1.35 O ATOM 399 ND2 ASN A 22 1.641 10.061 -11.585 1.00 1.28 N ATOM 0 H ASN A 22 2.538 9.082 -8.792 1.00 0.15 H new ATOM 0 HA ASN A 22 3.950 10.016 -10.234 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.558 12.686 -9.830 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.565 12.207 -11.182 1.00 0.20 H new ATOM 0 HD21 ASN A 22 0.845 9.666 -12.086 1.00 1.28 H new ATOM 0 HD22 ASN A 22 2.458 9.483 -11.389 1.00 1.28 H new ATOM 406 N VAL A 23 4.802 10.818 -7.555 1.00 0.19 N ATOM 407 CA VAL A 23 5.819 11.306 -6.643 1.00 0.22 C ATOM 408 C VAL A 23 7.019 10.367 -6.632 1.00 0.25 C ATOM 409 O VAL A 23 6.874 9.152 -6.762 1.00 0.35 O ATOM 410 CB VAL A 23 5.260 11.465 -5.214 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.583 10.193 -4.759 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.357 11.861 -4.241 1.00 0.26 C ATOM 0 H VAL A 23 4.281 10.011 -7.212 1.00 0.19 H new ATOM 0 HA VAL A 23 6.138 12.287 -6.995 1.00 0.22 H new ATOM 0 HB VAL A 23 4.518 12.263 -5.232 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.196 10.328 -3.749 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.760 9.957 -5.434 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.303 9.375 -4.766 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.936 11.966 -3.241 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.129 11.092 -4.230 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.794 12.810 -4.552 1.00 0.26 H new ATOM 422 N SER A 24 8.202 10.942 -6.475 1.00 0.22 N ATOM 423 CA SER A 24 9.435 10.167 -6.461 1.00 0.25 C ATOM 424 C SER A 24 9.431 9.136 -5.343 1.00 0.27 C ATOM 425 O SER A 24 8.638 9.216 -4.406 1.00 0.49 O ATOM 426 CB SER A 24 10.642 11.090 -6.304 1.00 0.35 C ATOM 427 OG SER A 24 11.855 10.364 -6.401 1.00 0.82 O ATOM 0 H SER A 24 8.335 11.946 -6.355 1.00 0.22 H new ATOM 0 HA SER A 24 9.503 9.640 -7.413 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.615 11.863 -7.072 1.00 0.35 H new ATOM 0 HB3 SER A 24 10.594 11.596 -5.340 1.00 0.35 H new ATOM 0 HG SER A 24 12.612 10.977 -6.299 1.00 0.82 H new ATOM 433 N VAL A 25 10.328 8.168 -5.458 1.00 0.20 N ATOM 434 CA VAL A 25 10.456 7.112 -4.469 1.00 0.17 C ATOM 435 C VAL A 25 11.656 6.230 -4.777 1.00 0.18 C ATOM 436 O VAL A 25 11.678 5.528 -5.788 1.00 0.25 O ATOM 437 CB VAL A 25 9.194 6.234 -4.407 1.00 0.13 C ATOM 438 CG1 VAL A 25 8.903 5.623 -5.767 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.347 5.149 -3.351 1.00 0.15 C ATOM 0 H VAL A 25 10.984 8.094 -6.236 1.00 0.20 H new ATOM 0 HA VAL A 25 10.593 7.597 -3.503 1.00 0.17 H new ATOM 0 HB VAL A 25 8.350 6.864 -4.127 1.00 0.13 H new ATOM 0 HG11 VAL A 25 8.007 5.005 -5.704 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.746 6.417 -6.497 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.747 5.007 -6.077 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.444 4.539 -3.323 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.202 4.520 -3.597 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.504 5.610 -2.376 1.00 0.15 H new ATOM 449 N ASN A 26 12.660 6.288 -3.913 1.00 0.15 N ATOM 450 CA ASN A 26 13.856 5.485 -4.088 1.00 0.15 C ATOM 451 C ASN A 26 13.915 4.388 -3.034 1.00 0.16 C ATOM 452 O ASN A 26 14.512 4.562 -1.972 1.00 0.17 O ATOM 453 CB ASN A 26 15.104 6.360 -4.011 1.00 0.16 C ATOM 454 CG ASN A 26 16.367 5.586 -4.313 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.333 4.551 -4.980 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.492 6.093 -3.835 1.00 0.20 N ATOM 0 H ASN A 26 12.667 6.883 -3.085 1.00 0.15 H new ATOM 0 HA ASN A 26 13.819 5.021 -5.074 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.010 7.186 -4.716 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.178 6.797 -3.015 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.380 5.624 -4.014 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.472 6.953 -3.287 1.00 0.20 H new ATOM 463 N PRO A 27 13.289 3.238 -3.326 1.00 0.17 N ATOM 464 CA PRO A 27 13.258 2.097 -2.417 1.00 0.19 C ATOM 465 C PRO A 27 14.600 1.864 -1.748 1.00 0.20 C ATOM 466 O PRO A 27 14.672 1.425 -0.602 1.00 0.25 O ATOM 467 CB PRO A 27 12.913 0.944 -3.350 1.00 0.23 C ATOM 468 CG PRO A 27 12.037 1.565 -4.377 1.00 0.30 C ATOM 469 CD PRO A 27 12.558 2.960 -4.577 1.00 0.19 C ATOM 0 HA PRO A 27 12.555 2.230 -1.594 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.808 0.511 -3.797 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.400 0.141 -2.820 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.067 1.000 -5.309 1.00 0.30 H new ATOM 0 HG3 PRO A 27 10.998 1.580 -4.047 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.212 3.023 -5.447 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.748 3.672 -4.735 1.00 0.19 H new ATOM 477 N GLU A 28 15.664 2.169 -2.473 1.00 0.18 N ATOM 478 CA GLU A 28 17.009 2.000 -1.952 1.00 0.19 C ATOM 479 C GLU A 28 17.252 2.985 -0.823 1.00 0.19 C ATOM 480 O GLU A 28 17.787 2.630 0.226 1.00 0.21 O ATOM 481 CB GLU A 28 18.036 2.212 -3.061 1.00 0.21 C ATOM 482 CG GLU A 28 17.812 1.329 -4.273 1.00 0.23 C ATOM 483 CD GLU A 28 18.881 1.512 -5.333 1.00 0.72 C ATOM 484 OE1 GLU A 28 19.943 0.863 -5.223 1.00 0.70 O ATOM 485 OE2 GLU A 28 18.655 2.302 -6.272 1.00 1.24 O ATOM 0 H GLU A 28 15.621 2.535 -3.424 1.00 0.18 H new ATOM 0 HA GLU A 28 17.114 0.985 -1.569 1.00 0.19 H new ATOM 0 HB2 GLU A 28 18.011 3.256 -3.373 1.00 0.21 H new ATOM 0 HB3 GLU A 28 19.033 2.022 -2.663 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.792 0.285 -3.959 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.836 1.551 -4.704 1.00 0.23 H new ATOM 492 N GLU A 29 16.846 4.225 -1.051 1.00 0.18 N ATOM 493 CA GLU A 29 17.001 5.275 -0.058 1.00 0.18 C ATOM 494 C GLU A 29 15.995 5.091 1.062 1.00 0.16 C ATOM 495 O GLU A 29 16.309 5.285 2.236 1.00 0.20 O ATOM 496 CB GLU A 29 16.820 6.645 -0.701 1.00 0.20 C ATOM 497 CG GLU A 29 16.831 7.783 0.298 1.00 0.22 C ATOM 498 CD GLU A 29 16.607 9.133 -0.352 1.00 1.02 C ATOM 499 OE1 GLU A 29 15.431 9.507 -0.552 1.00 1.85 O ATOM 500 OE2 GLU A 29 17.605 9.818 -0.659 1.00 0.95 O ATOM 0 H GLU A 29 16.405 4.529 -1.919 1.00 0.18 H new ATOM 0 HA GLU A 29 18.007 5.213 0.357 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.614 6.804 -1.431 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.877 6.660 -1.248 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.057 7.612 1.046 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.786 7.791 0.823 1.00 0.22 H new ATOM 507 N ILE A 30 14.777 4.715 0.690 1.00 0.14 N ATOM 508 CA ILE A 30 13.724 4.497 1.666 1.00 0.14 C ATOM 509 C ILE A 30 14.182 3.482 2.696 1.00 0.14 C ATOM 510 O ILE A 30 14.128 3.724 3.900 1.00 0.21 O ATOM 511 CB ILE A 30 12.437 3.986 0.997 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.960 4.973 -0.067 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.357 3.754 2.040 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.673 6.352 0.478 1.00 0.28 C ATOM 0 H ILE A 30 14.498 4.556 -0.278 1.00 0.14 H new ATOM 0 HA ILE A 30 13.511 5.452 2.146 1.00 0.14 H new ATOM 0 HB ILE A 30 12.651 3.036 0.508 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.718 5.049 -0.847 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.058 4.581 -0.537 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.452 3.392 1.552 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.701 3.013 2.761 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.142 4.690 2.556 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.339 7.001 -0.332 1.00 0.28 H new ATOM 0 HD12 ILE A 30 10.893 6.288 1.237 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.579 6.764 0.922 1.00 0.28 H new ATOM 526 N LYS A 31 14.647 2.344 2.209 1.00 0.15 N ATOM 527 CA LYS A 31 15.131 1.297 3.083 1.00 0.20 C ATOM 528 C LYS A 31 16.348 1.778 3.849 1.00 0.21 C ATOM 529 O LYS A 31 16.584 1.389 4.991 1.00 0.26 O ATOM 530 CB LYS A 31 15.491 0.057 2.276 1.00 0.26 C ATOM 531 CG LYS A 31 14.288 -0.630 1.665 1.00 0.80 C ATOM 532 CD LYS A 31 14.602 -2.068 1.291 1.00 0.82 C ATOM 533 CE LYS A 31 15.824 -2.154 0.391 1.00 0.65 C ATOM 534 NZ LYS A 31 16.144 -3.560 0.022 1.00 1.35 N ATOM 0 H LYS A 31 14.698 2.125 1.214 1.00 0.15 H new ATOM 0 HA LYS A 31 14.340 1.043 3.789 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.183 0.337 1.482 1.00 0.26 H new ATOM 0 HB3 LYS A 31 16.015 -0.648 2.921 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.458 -0.609 2.371 1.00 0.80 H new ATOM 0 HG3 LYS A 31 13.966 -0.084 0.778 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.773 -2.652 2.196 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.744 -2.509 0.784 1.00 0.82 H new ATOM 0 HE2 LYS A 31 15.650 -1.572 -0.514 1.00 0.65 H new ATOM 0 HE3 LYS A 31 16.680 -1.708 0.897 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.983 -3.575 -0.592 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 16.335 -4.110 0.884 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 15.337 -3.978 -0.484 1.00 1.35 H new ATOM 548 N HIS A 32 17.113 2.638 3.200 1.00 0.19 N ATOM 549 CA HIS A 32 18.318 3.192 3.788 1.00 0.23 C ATOM 550 C HIS A 32 17.978 4.076 4.977 1.00 0.23 C ATOM 551 O HIS A 32 18.762 4.207 5.917 1.00 0.29 O ATOM 552 CB HIS A 32 19.061 4.014 2.742 1.00 0.25 C ATOM 553 CG HIS A 32 20.500 4.246 3.071 1.00 0.32 C ATOM 554 ND1 HIS A 32 20.955 5.379 3.713 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.590 3.481 2.843 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.265 5.300 3.864 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.675 4.157 3.344 1.00 0.44 N ATOM 0 H HIS A 32 16.917 2.970 2.256 1.00 0.19 H new ATOM 0 HA HIS A 32 18.947 2.371 4.132 1.00 0.23 H new ATOM 0 HB2 HIS A 32 18.995 3.506 1.780 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.563 4.977 2.629 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.605 2.517 2.357 1.00 0.38 H new ATOM 0 HE1 HIS A 32 22.893 6.043 4.333 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.641 3.830 3.319 1.00 0.44 H new ATOM 566 N ARG A 33 16.802 4.683 4.921 1.00 0.19 N ATOM 567 CA ARG A 33 16.354 5.582 5.970 1.00 0.21 C ATOM 568 C ARG A 33 15.373 4.927 6.931 1.00 0.21 C ATOM 569 O ARG A 33 15.375 5.224 8.126 1.00 0.27 O ATOM 570 CB ARG A 33 15.684 6.795 5.338 1.00 0.24 C ATOM 571 CG ARG A 33 16.603 7.589 4.434 1.00 0.29 C ATOM 572 CD ARG A 33 15.844 8.660 3.670 1.00 0.36 C ATOM 573 NE ARG A 33 15.050 9.511 4.552 1.00 0.47 N ATOM 574 CZ ARG A 33 15.542 10.558 5.207 1.00 0.64 C ATOM 575 NH1 ARG A 33 16.824 10.877 5.091 1.00 1.13 N ATOM 576 NH2 ARG A 33 14.750 11.286 5.982 1.00 0.71 N ATOM 0 H ARG A 33 16.139 4.567 4.155 1.00 0.19 H new ATOM 0 HA ARG A 33 17.235 5.869 6.544 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.819 6.464 4.763 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.312 7.447 6.128 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.389 8.054 5.030 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.093 6.916 3.730 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.550 9.276 3.113 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.189 8.187 2.939 1.00 0.36 H new ATOM 0 HE ARG A 33 14.062 9.289 4.672 1.00 0.47 H new ATOM 0 HH11 ARG A 33 17.437 10.318 4.497 1.00 1.13 H new ATOM 0 HH12 ARG A 33 17.197 11.681 5.595 1.00 1.13 H new ATOM 0 HH21 ARG A 33 13.764 11.043 6.075 1.00 0.71 H new ATOM 0 HH22 ARG A 33 15.127 12.089 6.485 1.00 0.71 H new ATOM 590 N PHE A 34 14.536 4.034 6.416 1.00 0.17 N ATOM 591 CA PHE A 34 13.520 3.406 7.248 1.00 0.21 C ATOM 592 C PHE A 34 13.697 1.896 7.391 1.00 0.22 C ATOM 593 O PHE A 34 13.347 1.328 8.425 1.00 0.31 O ATOM 594 CB PHE A 34 12.147 3.738 6.675 1.00 0.23 C ATOM 595 CG PHE A 34 11.967 5.212 6.452 1.00 0.21 C ATOM 596 CD1 PHE A 34 11.502 6.030 7.470 1.00 0.29 C ATOM 597 CD2 PHE A 34 12.242 5.775 5.219 1.00 0.21 C ATOM 598 CE1 PHE A 34 11.314 7.381 7.260 1.00 0.29 C ATOM 599 CE2 PHE A 34 12.060 7.127 5.004 1.00 0.24 C ATOM 600 CZ PHE A 34 11.673 7.945 6.058 1.00 0.23 C ATOM 0 H PHE A 34 14.540 3.733 5.442 1.00 0.17 H new ATOM 0 HA PHE A 34 13.623 3.807 8.256 1.00 0.21 H new ATOM 0 HB2 PHE A 34 12.012 3.210 5.731 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.375 3.378 7.355 1.00 0.23 H new ATOM 0 HD1 PHE A 34 11.284 5.605 8.439 1.00 0.29 H new ATOM 0 HD2 PHE A 34 12.603 5.150 4.415 1.00 0.21 H new ATOM 0 HE1 PHE A 34 10.885 7.995 8.039 1.00 0.29 H new ATOM 0 HE2 PHE A 34 12.218 7.546 4.021 1.00 0.24 H new ATOM 0 HZ PHE A 34 11.654 9.018 5.934 1.00 0.23 H new ATOM 610 N ASP A 35 14.236 1.245 6.371 1.00 0.19 N ATOM 611 CA ASP A 35 14.434 -0.201 6.435 1.00 0.22 C ATOM 612 C ASP A 35 15.890 -0.531 6.702 1.00 0.29 C ATOM 613 O ASP A 35 16.419 -1.527 6.206 1.00 0.34 O ATOM 614 CB ASP A 35 13.977 -0.877 5.148 1.00 0.23 C ATOM 615 CG ASP A 35 13.681 -2.347 5.350 1.00 0.28 C ATOM 616 OD1 ASP A 35 12.933 -2.674 6.292 1.00 1.10 O ATOM 617 OD2 ASP A 35 14.197 -3.170 4.565 1.00 0.94 O ATOM 0 H ASP A 35 14.541 1.683 5.502 1.00 0.19 H new ATOM 0 HA ASP A 35 13.828 -0.581 7.258 1.00 0.22 H new ATOM 0 HB2 ASP A 35 13.084 -0.376 4.774 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.749 -0.765 4.386 1.00 0.23 H new ATOM 622 N THR A 36 16.532 0.314 7.489 1.00 0.31 N ATOM 623 CA THR A 36 17.933 0.126 7.836 1.00 0.39 C ATOM 624 C THR A 36 18.185 -1.288 8.345 1.00 0.46 C ATOM 625 O THR A 36 19.306 -1.792 8.276 1.00 0.54 O ATOM 626 CB THR A 36 18.385 1.136 8.902 1.00 0.43 C ATOM 627 OG1 THR A 36 17.673 0.915 10.125 1.00 0.47 O ATOM 628 CG2 THR A 36 18.151 2.559 8.421 1.00 0.39 C ATOM 0 H THR A 36 16.104 1.142 7.903 1.00 0.31 H new ATOM 0 HA THR A 36 18.512 0.289 6.927 1.00 0.39 H new ATOM 0 HB THR A 36 19.451 0.996 9.078 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.970 1.563 10.798 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.477 3.261 9.189 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.719 2.732 7.507 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.089 2.706 8.222 1.00 0.39 H new ATOM 636 N ASP A 37 17.137 -1.921 8.858 1.00 0.45 N ATOM 637 CA ASP A 37 17.242 -3.280 9.368 1.00 0.51 C ATOM 638 C ASP A 37 17.147 -4.291 8.230 1.00 0.50 C ATOM 639 O ASP A 37 17.624 -5.420 8.345 1.00 0.58 O ATOM 640 CB ASP A 37 16.143 -3.547 10.398 1.00 0.51 C ATOM 641 CG ASP A 37 16.214 -4.948 10.969 1.00 1.04 C ATOM 642 OD1 ASP A 37 16.926 -5.144 11.977 1.00 0.98 O ATOM 643 OD2 ASP A 37 15.557 -5.851 10.409 1.00 1.71 O ATOM 0 H ASP A 37 16.205 -1.514 8.931 1.00 0.45 H new ATOM 0 HA ASP A 37 18.213 -3.390 9.850 1.00 0.51 H new ATOM 0 HB2 ASP A 37 16.225 -2.823 11.209 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.169 -3.396 9.933 1.00 0.51 H new ATOM 648 N GLY A 38 16.524 -3.875 7.129 1.00 0.43 N ATOM 649 CA GLY A 38 16.381 -4.747 5.981 1.00 0.46 C ATOM 650 C GLY A 38 15.364 -5.844 6.215 1.00 0.42 C ATOM 651 O GLY A 38 15.459 -6.925 5.635 1.00 0.46 O ATOM 0 H GLY A 38 16.116 -2.947 7.014 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.083 -4.157 5.114 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.347 -5.194 5.745 1.00 0.46 H new ATOM 655 N THR A 39 14.383 -5.560 7.065 1.00 0.35 N ATOM 656 CA THR A 39 13.344 -6.530 7.383 1.00 0.33 C ATOM 657 C THR A 39 11.967 -6.049 6.932 1.00 0.30 C ATOM 658 O THR A 39 10.949 -6.641 7.290 1.00 0.41 O ATOM 659 CB THR A 39 13.296 -6.817 8.895 1.00 0.35 C ATOM 660 OG1 THR A 39 12.295 -7.802 9.177 1.00 0.65 O ATOM 661 CG2 THR A 39 12.996 -5.545 9.675 1.00 0.64 C ATOM 0 H THR A 39 14.286 -4.666 7.546 1.00 0.35 H new ATOM 0 HA THR A 39 13.597 -7.444 6.845 1.00 0.33 H new ATOM 0 HB THR A 39 14.271 -7.194 9.202 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.644 -7.826 8.445 1.00 0.65 H new ATOM 0 HG21 THR A 39 12.967 -5.770 10.741 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.775 -4.807 9.481 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.032 -5.145 9.362 1.00 0.64 H new ATOM 669 N GLY A 40 11.935 -4.977 6.146 1.00 0.22 N ATOM 670 CA GLY A 40 10.674 -4.445 5.674 1.00 0.21 C ATOM 671 C GLY A 40 10.303 -3.154 6.370 1.00 0.20 C ATOM 672 O GLY A 40 10.628 -2.957 7.540 1.00 0.32 O ATOM 0 H GLY A 40 12.761 -4.469 5.829 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.734 -4.272 4.599 1.00 0.21 H new ATOM 0 HA3 GLY A 40 9.887 -5.182 5.835 1.00 0.21 H new ATOM 676 N LEU A 41 9.622 -2.272 5.650 1.00 0.12 N ATOM 677 CA LEU A 41 9.212 -0.991 6.202 1.00 0.10 C ATOM 678 C LEU A 41 8.150 -1.163 7.273 1.00 0.10 C ATOM 679 O LEU A 41 7.146 -1.845 7.068 1.00 0.14 O ATOM 680 CB LEU A 41 8.677 -0.087 5.097 1.00 0.10 C ATOM 681 CG LEU A 41 9.730 0.456 4.139 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.683 1.385 4.873 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.486 -0.686 3.489 1.00 0.14 C ATOM 0 H LEU A 41 9.342 -2.422 4.681 1.00 0.12 H new ATOM 0 HA LEU A 41 10.090 -0.533 6.658 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.936 -0.642 4.521 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.158 0.754 5.557 1.00 0.10 H new ATOM 0 HG LEU A 41 9.232 1.028 3.356 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.430 1.765 4.176 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.124 2.219 5.296 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.180 0.838 5.674 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.235 -0.285 2.807 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.978 -1.282 4.258 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.789 -1.314 2.934 1.00 0.14 H new ATOM 695 N GLY A 42 8.378 -0.537 8.419 1.00 0.09 N ATOM 696 CA GLY A 42 7.419 -0.612 9.499 1.00 0.11 C ATOM 697 C GLY A 42 6.241 0.297 9.234 1.00 0.10 C ATOM 698 O GLY A 42 6.245 1.045 8.261 1.00 0.11 O ATOM 0 H GLY A 42 9.209 0.020 8.619 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.073 -1.639 9.614 1.00 0.11 H new ATOM 0 HA3 GLY A 42 7.898 -0.330 10.437 1.00 0.11 H new ATOM 702 N LEU A 43 5.229 0.242 10.084 1.00 0.12 N ATOM 703 CA LEU A 43 4.061 1.084 9.896 1.00 0.12 C ATOM 704 C LEU A 43 4.458 2.553 9.915 1.00 0.11 C ATOM 705 O LEU A 43 4.192 3.293 8.969 1.00 0.12 O ATOM 706 CB LEU A 43 3.015 0.806 10.978 1.00 0.14 C ATOM 707 CG LEU A 43 1.682 1.546 10.810 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.761 2.936 11.419 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.294 1.633 9.340 1.00 0.14 C ATOM 0 H LEU A 43 5.192 -0.368 10.900 1.00 0.12 H new ATOM 0 HA LEU A 43 3.624 0.851 8.925 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.816 -0.265 11.000 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.439 1.072 11.946 1.00 0.14 H new ATOM 0 HG LEU A 43 0.912 0.981 11.336 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.806 3.445 11.290 1.00 0.14 H new ATOM 0 HD12 LEU A 43 1.988 2.855 12.482 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.546 3.507 10.923 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.346 2.162 9.245 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.066 2.172 8.791 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.192 0.628 8.931 1.00 0.14 H new ATOM 721 N THR A 44 5.097 2.964 11.001 1.00 0.11 N ATOM 722 CA THR A 44 5.541 4.341 11.151 1.00 0.12 C ATOM 723 C THR A 44 6.702 4.632 10.210 1.00 0.12 C ATOM 724 O THR A 44 6.837 5.740 9.696 1.00 0.16 O ATOM 725 CB THR A 44 5.974 4.640 12.597 1.00 0.15 C ATOM 726 OG1 THR A 44 4.881 4.412 13.495 1.00 0.18 O ATOM 727 CG2 THR A 44 6.454 6.077 12.732 1.00 0.18 C ATOM 0 H THR A 44 5.320 2.361 11.793 1.00 0.11 H new ATOM 0 HA THR A 44 4.696 4.983 10.901 1.00 0.12 H new ATOM 0 HB THR A 44 6.797 3.972 12.850 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.166 4.603 14.413 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.755 6.265 13.763 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.305 6.240 12.070 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.647 6.757 12.460 1.00 0.18 H new ATOM 735 N SER A 45 7.534 3.623 9.984 1.00 0.11 N ATOM 736 CA SER A 45 8.683 3.764 9.103 1.00 0.13 C ATOM 737 C SER A 45 8.222 3.895 7.662 1.00 0.13 C ATOM 738 O SER A 45 8.831 4.601 6.859 1.00 0.19 O ATOM 739 CB SER A 45 9.616 2.561 9.253 1.00 0.17 C ATOM 740 OG SER A 45 10.613 2.806 10.230 1.00 0.31 O ATOM 0 H SER A 45 7.433 2.697 10.400 1.00 0.11 H new ATOM 0 HA SER A 45 9.230 4.665 9.380 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.037 1.681 9.533 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.088 2.341 8.295 1.00 0.17 H new ATOM 0 HG SER A 45 11.195 2.021 10.308 1.00 0.31 H new ATOM 746 N TRP A 46 7.135 3.206 7.347 1.00 0.10 N ATOM 747 CA TRP A 46 6.566 3.241 6.014 1.00 0.09 C ATOM 748 C TRP A 46 5.876 4.575 5.770 1.00 0.08 C ATOM 749 O TRP A 46 6.024 5.182 4.709 1.00 0.10 O ATOM 750 CB TRP A 46 5.567 2.103 5.843 1.00 0.09 C ATOM 751 CG TRP A 46 5.044 1.999 4.452 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.387 1.069 3.519 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.092 2.864 3.826 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.705 1.301 2.354 1.00 0.12 N ATOM 755 CE2 TRP A 46 3.904 2.394 2.516 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.378 3.989 4.248 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.033 3.006 1.622 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.513 4.597 3.358 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.348 4.103 2.057 1.00 0.09 C ATOM 0 H TRP A 46 6.629 2.613 8.004 1.00 0.10 H new ATOM 0 HA TRP A 46 7.370 3.122 5.288 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.044 1.162 6.118 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.734 2.251 6.530 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.093 0.266 3.674 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.783 0.746 1.502 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.500 4.375 5.249 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 2.903 2.627 0.619 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.955 5.467 3.670 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.665 4.601 1.385 1.00 0.09 H new ATOM 770 N LEU A 47 5.117 5.022 6.763 1.00 0.08 N ATOM 771 CA LEU A 47 4.406 6.286 6.670 1.00 0.08 C ATOM 772 C LEU A 47 5.388 7.428 6.465 1.00 0.08 C ATOM 773 O LEU A 47 5.162 8.323 5.651 1.00 0.11 O ATOM 774 CB LEU A 47 3.578 6.519 7.935 1.00 0.09 C ATOM 775 CG LEU A 47 2.341 5.631 8.069 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.705 5.805 9.438 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.337 5.951 6.971 1.00 0.62 C ATOM 0 H LEU A 47 4.979 4.525 7.643 1.00 0.08 H new ATOM 0 HA LEU A 47 3.733 6.248 5.813 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.217 6.360 8.804 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.262 7.562 7.958 1.00 0.09 H new ATOM 0 HG LEU A 47 2.650 4.591 7.964 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.826 5.165 9.515 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.423 5.530 10.210 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.409 6.845 9.572 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.462 5.310 7.080 1.00 0.62 H new ATOM 0 HD22 LEU A 47 1.034 6.995 7.048 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.795 5.777 5.997 1.00 0.62 H new ATOM 789 N LEU A 48 6.484 7.384 7.210 1.00 0.08 N ATOM 790 CA LEU A 48 7.520 8.399 7.113 1.00 0.10 C ATOM 791 C LEU A 48 8.232 8.302 5.773 1.00 0.10 C ATOM 792 O LEU A 48 8.737 9.295 5.248 1.00 0.11 O ATOM 793 CB LEU A 48 8.519 8.232 8.254 1.00 0.12 C ATOM 794 CG LEU A 48 7.937 8.445 9.649 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.886 7.924 10.714 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.636 9.917 9.872 1.00 0.17 C ATOM 0 H LEU A 48 6.678 6.651 7.892 1.00 0.08 H new ATOM 0 HA LEU A 48 7.057 9.383 7.188 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.945 7.230 8.202 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.339 8.935 8.106 1.00 0.12 H new ATOM 0 HG LEU A 48 7.005 7.884 9.725 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.451 8.086 11.700 1.00 0.17 H new ATOM 0 HD12 LEU A 48 9.053 6.858 10.562 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.836 8.454 10.645 1.00 0.17 H new ATOM 0 HD21 LEU A 48 7.221 10.056 10.870 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.555 10.495 9.777 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.915 10.258 9.129 1.00 0.17 H new ATOM 808 N ALA A 49 8.265 7.095 5.223 1.00 0.10 N ATOM 809 CA ALA A 49 8.904 6.859 3.938 1.00 0.11 C ATOM 810 C ALA A 49 8.168 7.611 2.836 1.00 0.11 C ATOM 811 O ALA A 49 8.782 8.109 1.892 1.00 0.15 O ATOM 812 CB ALA A 49 8.947 5.369 3.634 1.00 0.11 C ATOM 0 H ALA A 49 7.855 6.264 5.649 1.00 0.10 H new ATOM 0 HA ALA A 49 9.928 7.230 3.983 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.428 5.208 2.669 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.512 4.855 4.411 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.931 4.974 3.603 1.00 0.11 H new ATOM 818 N ALA A 50 6.849 7.688 2.968 1.00 0.08 N ATOM 819 CA ALA A 50 6.021 8.387 1.996 1.00 0.08 C ATOM 820 C ALA A 50 6.154 9.892 2.166 1.00 0.10 C ATOM 821 O ALA A 50 6.262 10.633 1.190 1.00 0.13 O ATOM 822 CB ALA A 50 4.567 7.969 2.138 1.00 0.10 C ATOM 0 H ALA A 50 6.330 7.273 3.742 1.00 0.08 H new ATOM 0 HA ALA A 50 6.365 8.119 0.997 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.962 8.501 1.404 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.479 6.895 1.971 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.215 8.210 3.141 1.00 0.10 H new ATOM 828 N LYS A 51 6.147 10.335 3.417 1.00 0.09 N ATOM 829 CA LYS A 51 6.270 11.752 3.724 1.00 0.11 C ATOM 830 C LYS A 51 7.582 12.299 3.184 1.00 0.13 C ATOM 831 O LYS A 51 7.629 13.397 2.630 1.00 0.15 O ATOM 832 CB LYS A 51 6.192 11.981 5.232 1.00 0.14 C ATOM 833 CG LYS A 51 4.881 11.524 5.848 1.00 0.14 C ATOM 834 CD LYS A 51 4.849 11.792 7.346 1.00 0.21 C ATOM 835 CE LYS A 51 3.537 11.343 7.969 1.00 0.61 C ATOM 836 NZ LYS A 51 3.497 11.611 9.433 1.00 1.40 N ATOM 0 H LYS A 51 6.057 9.732 4.235 1.00 0.09 H new ATOM 0 HA LYS A 51 5.444 12.279 3.246 1.00 0.11 H new ATOM 0 HB2 LYS A 51 7.014 11.453 5.715 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.330 13.042 5.438 1.00 0.14 H new ATOM 0 HG2 LYS A 51 4.051 12.041 5.366 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.743 10.459 5.664 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.677 11.271 7.827 1.00 0.21 H new ATOM 0 HD3 LYS A 51 4.993 12.857 7.528 1.00 0.21 H new ATOM 0 HE2 LYS A 51 2.709 11.859 7.483 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.397 10.277 7.791 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.586 11.290 9.820 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 4.272 11.099 9.901 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 3.605 12.631 9.602 1.00 1.40 H new ATOM 850 N SER A 52 8.648 11.525 3.354 1.00 0.12 N ATOM 851 CA SER A 52 9.961 11.929 2.871 1.00 0.15 C ATOM 852 C SER A 52 9.903 12.218 1.376 1.00 0.14 C ATOM 853 O SER A 52 10.701 12.995 0.850 1.00 0.16 O ATOM 854 CB SER A 52 10.994 10.839 3.155 1.00 0.17 C ATOM 855 OG SER A 52 11.154 10.645 4.548 1.00 1.23 O ATOM 0 H SER A 52 8.628 10.618 3.821 1.00 0.12 H new ATOM 0 HA SER A 52 10.260 12.836 3.396 1.00 0.15 H new ATOM 0 HB2 SER A 52 10.681 9.905 2.687 1.00 0.17 H new ATOM 0 HB3 SER A 52 11.950 11.114 2.710 1.00 0.17 H new ATOM 0 HG SER A 52 10.368 10.182 4.906 1.00 1.23 H new ATOM 861 N LEU A 53 8.949 11.586 0.699 1.00 0.12 N ATOM 862 CA LEU A 53 8.766 11.776 -0.731 1.00 0.12 C ATOM 863 C LEU A 53 7.823 12.943 -1.005 1.00 0.12 C ATOM 864 O LEU A 53 7.357 13.118 -2.128 1.00 0.15 O ATOM 865 CB LEU A 53 8.182 10.511 -1.357 1.00 0.13 C ATOM 866 CG LEU A 53 8.971 9.230 -1.101 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.180 8.022 -1.576 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.321 9.290 -1.795 1.00 0.14 C ATOM 0 H LEU A 53 8.289 10.935 1.123 1.00 0.12 H new ATOM 0 HA LEU A 53 9.740 11.992 -1.170 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.168 10.375 -0.981 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.105 10.661 -2.434 1.00 0.13 H new ATOM 0 HG LEU A 53 9.141 9.134 -0.029 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.754 7.115 -1.388 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.234 7.972 -1.037 1.00 0.13 H new ATOM 0 HD13 LEU A 53 7.984 8.112 -2.644 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.871 8.369 -1.602 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.173 9.406 -2.869 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.889 10.138 -1.413 1.00 0.14 H new ATOM 880 N GLU A 54 7.547 13.748 0.016 1.00 0.12 N ATOM 881 CA GLU A 54 6.629 14.864 -0.135 1.00 0.13 C ATOM 882 C GLU A 54 5.224 14.340 -0.432 1.00 0.11 C ATOM 883 O GLU A 54 4.367 15.071 -0.930 1.00 0.13 O ATOM 884 CB GLU A 54 7.098 15.790 -1.257 1.00 0.17 C ATOM 885 CG GLU A 54 8.534 16.252 -1.099 1.00 0.23 C ATOM 886 CD GLU A 54 8.991 17.140 -2.241 1.00 0.63 C ATOM 887 OE1 GLU A 54 9.435 16.597 -3.274 1.00 1.14 O ATOM 888 OE2 GLU A 54 8.904 18.378 -2.102 1.00 0.59 O ATOM 0 H GLU A 54 7.945 13.647 0.950 1.00 0.12 H new ATOM 0 HA GLU A 54 6.607 15.433 0.794 1.00 0.13 H new ATOM 0 HB2 GLU A 54 6.994 15.274 -2.211 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.446 16.663 -1.294 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.636 16.794 -0.159 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.187 15.381 -1.037 1.00 0.23 H new ATOM 895 N LEU A 55 5.001 13.062 -0.119 1.00 0.11 N ATOM 896 CA LEU A 55 3.720 12.413 -0.347 1.00 0.13 C ATOM 897 C LEU A 55 2.940 12.306 0.958 1.00 0.17 C ATOM 898 O LEU A 55 3.477 11.871 1.977 1.00 0.33 O ATOM 899 CB LEU A 55 3.961 11.023 -0.941 1.00 0.20 C ATOM 900 CG LEU A 55 2.727 10.134 -1.074 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.805 10.653 -2.167 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.142 8.698 -1.360 1.00 0.72 C ATOM 0 H LEU A 55 5.705 12.454 0.299 1.00 0.11 H new ATOM 0 HA LEU A 55 3.131 13.008 -1.046 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.407 11.143 -1.928 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.693 10.506 -0.321 1.00 0.20 H new ATOM 0 HG LEU A 55 2.181 10.157 -0.131 1.00 0.38 H new ATOM 0 HD11 LEU A 55 0.932 10.005 -2.245 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.484 11.666 -1.922 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.337 10.661 -3.118 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.253 8.074 -1.453 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.709 8.662 -2.290 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.761 8.328 -0.542 1.00 0.72 H new ATOM 914 N LYS A 56 1.672 12.701 0.926 1.00 0.15 N ATOM 915 CA LYS A 56 0.835 12.656 2.117 1.00 0.16 C ATOM 916 C LYS A 56 0.352 11.239 2.397 1.00 0.16 C ATOM 917 O LYS A 56 -0.169 10.561 1.513 1.00 0.20 O ATOM 918 CB LYS A 56 -0.368 13.590 1.971 1.00 0.18 C ATOM 919 CG LYS A 56 -1.184 13.719 3.249 1.00 0.61 C ATOM 920 CD LYS A 56 -2.448 14.537 3.033 1.00 0.62 C ATOM 921 CE LYS A 56 -2.130 15.955 2.585 1.00 1.18 C ATOM 922 NZ LYS A 56 -3.363 16.729 2.273 1.00 1.86 N ATOM 0 H LYS A 56 1.204 13.054 0.092 1.00 0.15 H new ATOM 0 HA LYS A 56 1.444 12.989 2.957 1.00 0.16 H new ATOM 0 HB2 LYS A 56 -0.019 14.577 1.669 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -1.011 13.221 1.172 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.451 12.726 3.611 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.576 14.188 4.023 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -3.073 14.050 2.284 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -3.024 14.568 3.958 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -1.569 16.466 3.368 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -1.489 15.922 1.704 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -3.103 17.690 1.972 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -3.886 16.256 1.508 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -3.963 16.783 3.121 1.00 1.86 H new ATOM 936 N VAL A 57 0.535 10.800 3.633 1.00 0.14 N ATOM 937 CA VAL A 57 0.112 9.471 4.047 1.00 0.14 C ATOM 938 C VAL A 57 -0.313 9.478 5.509 1.00 0.15 C ATOM 939 O VAL A 57 0.142 10.316 6.289 1.00 0.15 O ATOM 940 CB VAL A 57 1.232 8.435 3.849 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.681 8.409 2.398 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.405 8.728 4.770 1.00 0.13 C ATOM 0 H VAL A 57 0.976 11.349 4.371 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.735 9.191 3.421 1.00 0.14 H new ATOM 0 HB VAL A 57 0.839 7.451 4.105 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.474 7.671 2.276 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.837 8.144 1.761 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.055 9.393 2.115 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.185 7.983 4.613 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.801 9.720 4.551 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.071 8.691 5.807 1.00 0.13 H new ATOM 952 N LYS A 58 -1.183 8.547 5.880 1.00 0.17 N ATOM 953 CA LYS A 58 -1.656 8.473 7.254 1.00 0.20 C ATOM 954 C LYS A 58 -2.404 7.175 7.526 1.00 0.16 C ATOM 955 O LYS A 58 -3.299 6.787 6.775 1.00 0.18 O ATOM 956 CB LYS A 58 -2.564 9.664 7.558 1.00 0.26 C ATOM 957 CG LYS A 58 -3.152 9.634 8.957 1.00 0.63 C ATOM 958 CD LYS A 58 -3.974 10.880 9.244 1.00 1.21 C ATOM 959 CE LYS A 58 -4.588 10.835 10.634 1.00 1.69 C ATOM 960 NZ LYS A 58 -5.367 12.067 10.939 1.00 2.33 N ATOM 0 H LYS A 58 -1.571 7.840 5.255 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.782 8.499 7.905 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -1.996 10.586 7.431 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.376 9.687 6.831 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.779 8.750 9.070 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -2.348 9.551 9.689 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -3.342 11.763 9.153 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -4.764 10.975 8.499 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -5.239 9.965 10.715 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -3.799 10.712 11.375 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -5.769 11.996 11.896 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -4.741 12.896 10.887 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -6.137 12.171 10.247 1.00 2.33 H new ATOM 974 N GLN A 59 -2.025 6.509 8.610 1.00 0.15 N ATOM 975 CA GLN A 59 -2.659 5.264 9.009 1.00 0.13 C ATOM 976 C GLN A 59 -3.781 5.543 9.997 1.00 0.13 C ATOM 977 O GLN A 59 -3.581 6.231 10.998 1.00 0.16 O ATOM 978 CB GLN A 59 -1.628 4.329 9.637 1.00 0.16 C ATOM 979 CG GLN A 59 -2.194 2.984 10.065 1.00 0.20 C ATOM 980 CD GLN A 59 -3.018 3.066 11.337 1.00 0.44 C ATOM 981 OE1 GLN A 59 -4.240 3.191 11.292 1.00 1.13 O ATOM 982 NE2 GLN A 59 -2.350 3.004 12.483 1.00 0.36 N ATOM 0 H GLN A 59 -1.276 6.815 9.231 1.00 0.15 H new ATOM 0 HA GLN A 59 -3.079 4.783 8.126 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.821 4.162 8.923 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -1.188 4.820 10.505 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -2.814 2.585 9.262 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.374 2.282 10.214 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -1.335 2.900 12.477 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -2.852 3.060 13.369 1.00 0.36 H new ATOM 991 N VAL A 60 -4.958 5.007 9.714 1.00 0.13 N ATOM 992 CA VAL A 60 -6.109 5.214 10.581 1.00 0.16 C ATOM 993 C VAL A 60 -6.966 3.960 10.676 1.00 0.15 C ATOM 994 O VAL A 60 -7.088 3.202 9.714 1.00 0.18 O ATOM 995 CB VAL A 60 -6.983 6.376 10.078 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.469 6.099 8.665 1.00 0.22 C ATOM 997 CG2 VAL A 60 -8.155 6.607 11.018 1.00 0.23 C ATOM 0 H VAL A 60 -5.142 4.428 8.895 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.718 5.456 11.569 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.379 7.283 10.060 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -8.086 6.930 8.323 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.612 5.986 8.001 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -8.058 5.182 8.656 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.762 7.432 10.646 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.763 5.704 11.070 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.781 6.851 12.013 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.561 3.747 11.845 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.412 2.591 12.064 1.00 0.20 C ATOM 1009 C LYS A 61 -9.810 2.870 11.538 1.00 0.21 C ATOM 1010 O LYS A 61 -10.564 3.647 12.123 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.471 2.244 13.550 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.124 0.901 13.836 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.269 0.660 15.330 1.00 0.37 C ATOM 1014 CE LYS A 61 -9.937 -0.674 15.622 1.00 1.05 C ATOM 1015 NZ LYS A 61 -9.151 -1.820 15.088 1.00 2.03 N ATOM 0 H LYS A 61 -7.467 4.362 12.653 1.00 0.19 H new ATOM 0 HA LYS A 61 -7.991 1.741 11.526 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.459 2.240 13.954 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -9.021 3.025 14.075 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.106 0.864 13.363 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -8.527 0.103 13.394 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -8.286 0.685 15.800 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -9.855 1.465 15.773 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -10.061 -0.790 16.699 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -10.935 -0.683 15.184 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -9.525 -2.709 15.477 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -9.225 -1.838 14.051 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -8.153 -1.715 15.362 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.149 2.231 10.429 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.450 2.423 9.811 1.00 0.22 C ATOM 1031 C LYS A 62 -12.134 1.087 9.557 1.00 0.23 C ATOM 1032 O LYS A 62 -11.488 0.040 9.530 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.285 3.177 8.492 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.340 4.364 8.589 1.00 0.30 C ATOM 1035 CD LYS A 62 -10.944 5.493 9.411 1.00 0.50 C ATOM 1036 CE LYS A 62 -12.080 6.175 8.667 1.00 0.75 C ATOM 1037 NZ LYS A 62 -12.624 7.336 9.425 1.00 1.04 N ATOM 0 H LYS A 62 -9.541 1.575 9.939 1.00 0.20 H new ATOM 0 HA LYS A 62 -12.073 3.004 10.491 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.915 2.489 7.732 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.262 3.526 8.157 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.400 4.046 9.041 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -10.106 4.726 7.588 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -11.312 5.099 10.358 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -10.172 6.225 9.649 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -11.725 6.512 7.693 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -12.878 5.455 8.484 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -13.397 7.773 8.883 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.986 7.011 10.344 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -11.869 8.035 9.578 1.00 1.04 H new ATOM 1051 N THR A 63 -13.447 1.131 9.375 1.00 0.17 N ATOM 1052 CA THR A 63 -14.213 -0.074 9.107 1.00 0.15 C ATOM 1053 C THR A 63 -14.280 -0.326 7.611 1.00 0.13 C ATOM 1054 O THR A 63 -14.294 0.615 6.817 1.00 0.15 O ATOM 1055 CB THR A 63 -15.644 0.014 9.673 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.420 0.941 8.905 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.623 0.451 11.131 1.00 0.24 C ATOM 0 H THR A 63 -14.001 1.987 9.408 1.00 0.17 H new ATOM 0 HA THR A 63 -13.703 -0.899 9.604 1.00 0.15 H new ATOM 0 HB THR A 63 -16.096 -0.976 9.612 1.00 0.20 H new ATOM 0 HG1 THR A 63 -17.328 0.989 9.271 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.644 0.506 11.509 1.00 0.24 H new ATOM 0 HG22 THR A 63 -15.057 -0.271 11.719 1.00 0.24 H new ATOM 0 HG23 THR A 63 -15.153 1.431 11.210 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.318 -1.590 7.223 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.368 -1.952 5.812 1.00 0.13 C ATOM 1067 C ILE A 64 -15.385 -1.109 5.049 1.00 0.17 C ATOM 1068 O ILE A 64 -15.149 -0.708 3.908 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.723 -3.436 5.631 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.748 -4.320 6.403 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -14.719 -3.802 4.159 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -13.953 -5.796 6.153 1.00 0.20 C ATOM 0 H ILE A 64 -14.315 -2.384 7.863 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.373 -1.762 5.409 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.724 -3.602 6.029 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.728 -4.050 6.128 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.854 -4.121 7.469 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -14.972 -4.856 4.045 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.453 -3.194 3.631 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -13.729 -3.620 3.741 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.227 -6.367 6.732 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -14.962 -6.079 6.454 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -13.818 -6.008 5.092 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.510 -0.833 5.693 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.574 -0.050 5.077 1.00 0.26 C ATOM 1086 C ASP A 65 -17.133 1.390 4.822 1.00 0.24 C ATOM 1087 O ASP A 65 -17.721 2.089 3.996 1.00 0.27 O ATOM 1088 CB ASP A 65 -18.823 -0.070 5.959 1.00 0.33 C ATOM 1089 CG ASP A 65 -19.350 -1.474 6.182 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -20.028 -2.005 5.277 1.00 1.99 O ATOM 1091 OD2 ASP A 65 -19.088 -2.043 7.263 1.00 2.08 O ATOM 0 H ASP A 65 -16.711 -1.140 6.645 1.00 0.21 H new ATOM 0 HA ASP A 65 -17.808 -0.504 4.114 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -18.592 0.386 6.922 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -19.601 0.538 5.497 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.098 1.830 5.531 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.585 3.186 5.372 1.00 0.20 C ATOM 1098 C ARG A 66 -14.646 3.266 4.174 1.00 0.15 C ATOM 1099 O ARG A 66 -14.531 4.306 3.528 1.00 0.14 O ATOM 1100 CB ARG A 66 -14.849 3.631 6.636 1.00 0.24 C ATOM 1101 CG ARG A 66 -15.758 3.830 7.839 1.00 0.71 C ATOM 1102 CD ARG A 66 -16.744 4.965 7.620 1.00 0.66 C ATOM 1103 NE ARG A 66 -17.532 5.240 8.820 1.00 1.54 N ATOM 1104 CZ ARG A 66 -18.520 6.128 8.864 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -18.833 6.829 7.784 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -19.193 6.316 9.992 1.00 2.72 N ATOM 0 H ARG A 66 -15.599 1.268 6.220 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.431 3.851 5.202 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -14.091 2.888 6.884 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.325 4.564 6.430 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.304 2.908 8.039 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -15.153 4.039 8.721 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -16.203 5.865 7.327 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.412 4.712 6.797 1.00 0.66 H new ATOM 0 HE ARG A 66 -17.312 4.722 9.670 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.315 6.688 6.917 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -19.592 7.510 7.820 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -18.952 5.779 10.825 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -19.951 6.997 10.026 1.00 2.72 H new ATOM 1120 N LEU A 67 -13.982 2.153 3.886 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.049 2.080 2.770 1.00 0.11 C ATOM 1122 C LEU A 67 -13.696 2.553 1.476 1.00 0.13 C ATOM 1123 O LEU A 67 -13.009 2.949 0.534 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.539 0.648 2.613 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.327 0.288 3.479 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.429 0.915 4.863 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.195 -1.221 3.593 1.00 0.15 C ATOM 0 H LEU A 67 -14.074 1.285 4.413 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.209 2.741 2.984 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.352 -0.038 2.851 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.279 0.484 1.567 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.436 0.689 2.995 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.554 0.640 5.452 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.477 2.000 4.768 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.329 0.554 5.360 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.331 -1.465 4.210 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.095 -1.631 4.050 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -11.064 -1.651 2.600 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.018 2.502 1.428 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.748 2.940 0.252 1.00 0.19 C ATOM 1141 C ASN A 68 -15.747 4.466 0.141 1.00 0.19 C ATOM 1142 O ASN A 68 -16.094 5.017 -0.903 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.187 2.424 0.305 1.00 0.25 C ATOM 1144 CG ASN A 68 -18.019 2.908 -0.865 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -18.610 3.987 -0.818 1.00 1.69 O ATOM 1146 ND2 ASN A 68 -18.074 2.108 -1.922 1.00 0.83 N ATOM 0 H ASN A 68 -15.605 2.162 2.189 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.250 2.532 -0.627 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.179 1.334 0.315 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.652 2.748 1.236 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -18.622 2.379 -2.739 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -17.568 1.222 -1.918 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.354 5.148 1.221 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.328 6.606 1.229 1.00 0.18 C ATOM 1155 C PHE A 69 -13.931 7.160 1.514 1.00 0.15 C ATOM 1156 O PHE A 69 -13.714 8.369 1.425 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.316 7.135 2.270 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.659 6.469 2.202 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.621 6.919 1.313 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -17.962 5.399 3.026 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.861 6.314 1.249 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.199 4.789 2.967 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.139 5.225 2.074 1.00 0.34 C ATOM 0 H PHE A 69 -15.052 4.714 2.093 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.616 6.943 0.233 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -15.896 6.991 3.266 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.442 8.208 2.129 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.399 7.752 0.663 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.222 5.037 3.724 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.611 6.682 0.564 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.425 3.965 3.628 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.095 4.727 2.008 1.00 0.34 H new ATOM 1173 N ILE A 70 -12.984 6.287 1.854 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.625 6.733 2.148 1.00 0.11 C ATOM 1175 C ILE A 70 -10.888 7.111 0.872 1.00 0.12 C ATOM 1176 O ILE A 70 -11.394 6.915 -0.233 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.808 5.661 2.897 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.600 4.432 2.014 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.491 5.281 4.200 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.817 3.330 2.692 1.00 0.15 C ATOM 0 H ILE A 70 -13.130 5.281 1.932 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.722 7.607 2.792 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.830 6.078 3.136 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.572 4.043 1.711 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.079 4.731 1.105 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -10.899 4.523 4.714 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.581 6.163 4.834 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.484 4.884 3.988 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.707 2.488 2.008 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -8.831 3.703 2.971 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.348 3.004 3.586 1.00 0.15 H new ATOM 1192 N SER A 71 -9.691 7.656 1.035 1.00 0.12 N ATOM 1193 CA SER A 71 -8.883 8.079 -0.101 1.00 0.14 C ATOM 1194 C SER A 71 -8.269 6.884 -0.818 1.00 0.13 C ATOM 1195 O SER A 71 -7.202 6.399 -0.441 1.00 0.15 O ATOM 1196 CB SER A 71 -7.781 9.029 0.362 1.00 0.17 C ATOM 1197 OG SER A 71 -7.016 9.499 -0.734 1.00 1.14 O ATOM 0 H SER A 71 -9.257 7.816 1.944 1.00 0.12 H new ATOM 0 HA SER A 71 -9.536 8.598 -0.802 1.00 0.14 H new ATOM 0 HB2 SER A 71 -8.224 9.874 0.889 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.130 8.517 1.071 1.00 0.17 H new ATOM 0 HG SER A 71 -6.062 9.404 -0.532 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.951 6.418 -1.856 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.474 5.291 -2.643 1.00 0.12 C ATOM 1205 C LEU A 72 -7.610 5.787 -3.806 1.00 0.13 C ATOM 1206 O LEU A 72 -7.850 6.870 -4.339 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.657 4.475 -3.172 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.730 3.025 -2.681 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.574 2.957 -1.169 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -11.045 2.389 -3.107 1.00 0.16 C ATOM 0 H LEU A 72 -9.840 6.806 -2.173 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.867 4.650 -2.004 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.580 4.982 -2.892 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.614 4.470 -4.261 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.909 2.469 -3.133 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.629 1.918 -0.844 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.609 3.376 -0.884 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.372 3.528 -0.695 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.083 1.359 -2.752 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.876 2.951 -2.681 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -11.119 2.400 -4.194 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.591 5.010 -4.219 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.268 3.714 -3.617 1.00 0.11 C ATOM 1224 C PRO A 73 -5.609 3.855 -2.252 1.00 0.10 C ATOM 1225 O PRO A 73 -4.735 4.698 -2.052 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.300 3.094 -4.619 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.635 4.256 -5.266 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.668 5.349 -5.316 1.00 0.14 C ATOM 0 HA PRO A 73 -7.160 3.113 -3.437 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.575 2.448 -4.123 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.826 2.480 -5.350 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.760 4.571 -4.697 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.289 4.000 -6.267 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.218 6.331 -5.171 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.181 5.371 -6.278 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.040 3.019 -1.316 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.501 3.042 0.037 1.00 0.09 C ATOM 1238 C ALA A 74 -4.649 1.808 0.302 1.00 0.08 C ATOM 1239 O ALA A 74 -4.777 0.796 -0.386 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.630 3.131 1.050 1.00 0.09 C ATOM 0 H ALA A 74 -6.763 2.316 -1.470 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.866 3.922 0.138 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.214 3.147 2.058 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.202 4.043 0.878 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.285 2.266 0.942 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.780 1.895 1.302 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.911 0.781 1.647 1.00 0.07 C ATOM 1248 C LEU A 75 -3.346 0.122 2.950 1.00 0.07 C ATOM 1249 O LEU A 75 -3.256 0.720 4.020 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.466 1.256 1.775 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.491 0.213 2.319 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.289 -0.908 1.312 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.837 0.864 2.672 1.00 0.09 C ATOM 0 H LEU A 75 -3.660 2.723 1.885 1.00 0.07 H new ATOM 0 HA LEU A 75 -2.984 0.045 0.846 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.118 1.581 0.795 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.442 2.129 2.427 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.916 -0.218 3.226 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.409 -1.641 1.718 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.245 -1.391 1.109 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.114 -0.497 0.386 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.521 0.109 3.058 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.267 1.321 1.780 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.676 1.630 3.431 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.812 -1.114 2.851 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.250 -1.858 4.021 1.00 0.07 C ATOM 1267 C VAL A 76 -3.059 -2.504 4.716 1.00 0.07 C ATOM 1268 O VAL A 76 -2.595 -3.570 4.313 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.271 -2.945 3.645 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.697 -3.854 2.575 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.680 -3.747 4.871 1.00 0.10 C ATOM 0 H VAL A 76 -3.896 -1.623 1.971 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.729 -1.151 4.698 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.163 -2.461 3.247 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.429 -4.620 2.317 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.458 -3.267 1.688 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.791 -4.330 2.950 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.403 -4.510 4.582 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.801 -4.225 5.303 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.130 -3.081 5.608 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.572 -1.853 5.761 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.428 -2.357 6.505 1.00 0.08 C ATOM 1283 C TRP A 77 -1.697 -3.755 7.050 1.00 0.09 C ATOM 1284 O TRP A 77 -2.743 -4.011 7.646 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.085 -1.412 7.652 1.00 0.10 C ATOM 1286 CG TRP A 77 0.293 -1.617 8.192 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.631 -2.154 9.398 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.521 -1.292 7.536 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.997 -2.174 9.537 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.566 -1.652 8.406 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.838 -0.730 6.298 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.905 -1.467 8.077 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.167 -0.548 5.971 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.187 -0.915 6.858 1.00 0.12 C ATOM 0 H TRP A 77 -2.951 -0.974 6.113 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.582 -2.413 5.820 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.184 -0.382 7.308 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.808 -1.550 8.456 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.072 -2.511 10.136 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.505 -2.521 10.350 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.058 -0.443 5.609 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.693 -1.749 8.759 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.424 -0.115 5.015 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.217 -0.759 6.573 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.742 -4.653 6.842 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.865 -6.024 7.316 1.00 0.13 C ATOM 1307 C ARG A 78 0.315 -6.397 8.201 1.00 0.15 C ATOM 1308 O ARG A 78 1.458 -6.445 7.750 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.962 -6.991 6.136 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.349 -7.058 5.520 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.283 -7.929 6.343 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.778 -9.293 6.481 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.329 -10.206 7.273 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.398 -9.901 7.996 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -2.811 -11.425 7.345 1.00 0.38 N ATOM 0 H ARG A 78 0.128 -4.455 6.347 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.778 -6.097 7.907 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.247 -6.690 5.370 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.672 -7.988 6.469 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.762 -6.052 5.442 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.279 -7.454 4.507 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.413 -7.489 7.332 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.266 -7.952 5.873 1.00 0.30 H new ATOM 0 HE ARG A 78 -1.956 -9.559 5.939 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.798 -8.964 7.944 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -4.820 -10.603 8.604 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -1.988 -11.663 6.792 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.236 -12.124 7.954 1.00 0.38 H new ATOM 1329 N GLU A 79 0.020 -6.668 9.463 1.00 0.17 N ATOM 1330 CA GLU A 79 1.044 -7.045 10.426 1.00 0.20 C ATOM 1331 C GLU A 79 1.753 -8.323 9.997 1.00 0.23 C ATOM 1332 O GLU A 79 2.868 -8.603 10.435 1.00 0.28 O ATOM 1333 CB GLU A 79 0.421 -7.234 11.806 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.246 -5.983 12.346 1.00 0.28 C ATOM 1335 CD GLU A 79 0.744 -4.872 12.634 1.00 0.86 C ATOM 1336 OE1 GLU A 79 1.278 -4.830 13.762 1.00 1.13 O ATOM 1337 OE2 GLU A 79 0.987 -4.044 11.731 1.00 1.75 O ATOM 0 H GLU A 79 -0.925 -6.634 9.846 1.00 0.17 H new ATOM 0 HA GLU A 79 1.781 -6.243 10.470 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.315 -8.036 11.757 1.00 0.21 H new ATOM 0 HB3 GLU A 79 1.194 -7.554 12.504 1.00 0.21 H new ATOM 0 HG2 GLU A 79 -0.984 -5.629 11.626 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -0.786 -6.229 13.260 1.00 0.28 H new ATOM 1344 N ASP A 80 1.099 -9.098 9.137 1.00 0.24 N ATOM 1345 CA ASP A 80 1.672 -10.346 8.652 1.00 0.32 C ATOM 1346 C ASP A 80 2.685 -10.098 7.534 1.00 0.35 C ATOM 1347 O ASP A 80 3.246 -11.044 6.980 1.00 0.45 O ATOM 1348 CB ASP A 80 0.568 -11.279 8.156 1.00 0.34 C ATOM 1349 CG ASP A 80 1.109 -12.612 7.677 1.00 1.29 C ATOM 1350 OD1 ASP A 80 1.231 -13.536 8.508 1.00 1.86 O ATOM 1351 OD2 ASP A 80 1.411 -12.731 6.471 1.00 2.00 O ATOM 0 H ASP A 80 0.174 -8.883 8.763 1.00 0.24 H new ATOM 0 HA ASP A 80 2.194 -10.817 9.485 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -0.149 -11.449 8.960 1.00 0.34 H new ATOM 0 HB3 ASP A 80 0.027 -10.796 7.342 1.00 0.34 H new ATOM 1356 N GLY A 81 2.920 -8.829 7.202 1.00 0.32 N ATOM 1357 CA GLY A 81 3.868 -8.508 6.153 1.00 0.40 C ATOM 1358 C GLY A 81 3.327 -8.818 4.772 1.00 0.45 C ATOM 1359 O GLY A 81 4.089 -9.020 3.828 1.00 0.82 O ATOM 0 H GLY A 81 2.472 -8.024 7.640 1.00 0.32 H new ATOM 0 HA2 GLY A 81 4.125 -7.450 6.211 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.788 -9.069 6.314 1.00 0.40 H new ATOM 1363 N ARG A 82 2.003 -8.859 4.661 1.00 0.18 N ATOM 1364 CA ARG A 82 1.343 -9.139 3.394 1.00 0.18 C ATOM 1365 C ARG A 82 0.288 -8.081 3.112 1.00 0.14 C ATOM 1366 O ARG A 82 -0.907 -8.372 3.076 1.00 0.17 O ATOM 1367 CB ARG A 82 0.691 -10.518 3.436 1.00 0.22 C ATOM 1368 CG ARG A 82 1.573 -11.581 4.062 1.00 0.29 C ATOM 1369 CD ARG A 82 2.717 -11.968 3.144 1.00 0.60 C ATOM 1370 NE ARG A 82 3.557 -13.015 3.722 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.431 -13.728 3.019 1.00 1.46 C ATOM 1372 NH1 ARG A 82 4.569 -13.513 1.717 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.165 -14.657 3.615 1.00 1.85 N ATOM 0 H ARG A 82 1.364 -8.700 5.440 1.00 0.18 H new ATOM 0 HA ARG A 82 2.088 -9.122 2.599 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.242 -10.454 3.996 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.433 -10.821 2.421 1.00 0.22 H new ATOM 0 HG2 ARG A 82 1.972 -11.213 5.007 1.00 0.29 H new ATOM 0 HG3 ARG A 82 0.975 -12.463 4.291 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.316 -12.311 2.191 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.327 -11.089 2.935 1.00 0.60 H new ATOM 0 HE ARG A 82 3.468 -13.209 4.719 1.00 0.96 H new ATOM 0 HH11 ARG A 82 4.004 -12.800 1.255 1.00 1.68 H new ATOM 0 HH12 ARG A 82 5.240 -14.060 1.178 1.00 1.68 H new ATOM 0 HH21 ARG A 82 5.060 -14.826 4.615 1.00 1.85 H new ATOM 0 HH22 ARG A 82 5.835 -15.203 3.073 1.00 1.85 H new ATOM 1387 N HIS A 83 0.740 -6.851 2.910 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.167 -5.740 2.654 1.00 0.09 C ATOM 1389 C HIS A 83 -0.630 -5.736 1.203 1.00 0.08 C ATOM 1390 O HIS A 83 -0.127 -6.493 0.374 1.00 0.10 O ATOM 1391 CB HIS A 83 0.501 -4.393 2.972 1.00 0.12 C ATOM 1392 CG HIS A 83 1.653 -4.478 3.927 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.483 -4.882 5.227 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.963 -4.198 3.719 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.682 -4.840 5.781 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.612 -4.431 4.903 1.00 0.15 N ATOM 0 H HIS A 83 1.728 -6.597 2.918 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.030 -5.873 3.307 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.850 -3.947 2.041 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.249 -3.719 3.387 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.410 -3.857 2.797 1.00 0.13 H new ATOM 0 HE1 HIS A 83 2.888 -5.101 6.809 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.609 -4.316 5.083 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.600 -4.880 0.914 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.126 -4.739 -0.433 1.00 0.08 C ATOM 1406 C PHE A 84 -2.822 -3.392 -0.581 1.00 0.08 C ATOM 1407 O PHE A 84 -3.335 -2.837 0.389 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.071 -5.892 -0.787 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.183 -6.118 0.198 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -4.007 -6.961 1.285 1.00 0.11 C ATOM 1411 CD2 PHE A 84 -5.411 -5.503 0.024 1.00 0.12 C ATOM 1412 CE1 PHE A 84 -5.038 -7.183 2.179 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -6.442 -5.720 0.915 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.257 -6.561 1.994 1.00 0.15 C ATOM 0 H PHE A 84 -2.040 -4.269 1.602 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.293 -4.780 -1.134 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.506 -5.699 -1.767 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.488 -6.809 -0.872 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -3.055 -7.449 1.435 1.00 0.11 H new ATOM 0 HD2 PHE A 84 -5.564 -4.846 -0.819 1.00 0.12 H new ATOM 0 HE1 PHE A 84 -4.890 -7.842 3.021 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -7.394 -5.232 0.768 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.063 -6.732 2.692 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.836 -2.870 -1.799 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.433 -1.569 -2.061 1.00 0.09 C ATOM 1426 C ILE A 85 -4.882 -1.684 -2.518 1.00 0.08 C ATOM 1427 O ILE A 85 -5.164 -2.209 -3.593 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.626 -0.799 -3.128 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.192 -0.573 -2.643 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.291 0.529 -3.464 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.381 0.323 -3.555 1.00 0.12 C ATOM 0 H ILE A 85 -2.441 -3.327 -2.621 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.412 -1.022 -1.118 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.600 -1.400 -4.037 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.219 -0.134 -1.646 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.691 -1.537 -2.554 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.702 1.051 -4.218 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.294 0.346 -3.850 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.354 1.142 -2.565 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.624 0.440 -3.150 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.323 -0.124 -4.547 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.860 1.300 -3.625 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.793 -1.179 -1.692 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.209 -1.196 -2.021 1.00 0.08 C ATOM 1445 C LEU A 86 -7.516 -0.085 -3.012 1.00 0.08 C ATOM 1446 O LEU A 86 -7.240 1.083 -2.746 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.060 -1.028 -0.761 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.569 -1.051 -1.000 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -9.964 -2.296 -1.777 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.320 -0.986 0.322 1.00 0.14 C ATOM 0 H LEU A 86 -5.573 -0.754 -0.791 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.453 -2.159 -2.471 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.805 -1.822 -0.059 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.796 -0.084 -0.284 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.838 -0.176 -1.591 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.042 -2.297 -1.939 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.452 -2.302 -2.740 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.681 -3.183 -1.211 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.393 -1.003 0.132 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.047 -1.843 0.938 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.059 -0.065 0.844 1.00 0.14 H new ATOM 1462 N THR A 87 -8.091 -0.448 -4.148 1.00 0.08 N ATOM 1463 CA THR A 87 -8.405 0.527 -5.183 1.00 0.09 C ATOM 1464 C THR A 87 -9.905 0.722 -5.343 1.00 0.09 C ATOM 1465 O THR A 87 -10.353 1.743 -5.867 1.00 0.11 O ATOM 1466 CB THR A 87 -7.814 0.099 -6.536 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.469 -1.084 -7.001 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.321 -0.160 -6.411 1.00 0.13 C ATOM 0 H THR A 87 -8.349 -1.408 -4.377 1.00 0.08 H new ATOM 0 HA THR A 87 -7.961 1.471 -4.867 1.00 0.09 H new ATOM 0 HB THR A 87 -7.971 0.906 -7.251 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.652 -1.676 -6.242 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.922 -0.462 -7.379 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.820 0.750 -6.080 1.00 0.13 H new ATOM 0 HG23 THR A 87 -6.149 -0.954 -5.684 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.681 -0.260 -4.903 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.130 -0.180 -5.007 1.00 0.10 C ATOM 1478 C LYS A 88 -12.804 -1.289 -4.211 1.00 0.11 C ATOM 1479 O LYS A 88 -12.201 -2.325 -3.934 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.560 -0.264 -6.470 1.00 0.12 C ATOM 1481 CG LYS A 88 -14.064 -0.210 -6.665 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.441 -0.261 -8.137 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.949 -0.224 -8.330 1.00 0.55 C ATOM 1484 NZ LYS A 88 -16.329 -0.337 -9.766 1.00 1.43 N ATOM 0 H LYS A 88 -10.333 -1.117 -4.473 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.441 0.779 -4.591 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -12.101 0.556 -7.023 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -12.179 -1.191 -6.899 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.529 -1.045 -6.141 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.456 0.704 -6.220 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.986 0.581 -8.659 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -14.038 -1.169 -8.585 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -16.407 -1.038 -7.768 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -16.344 0.706 -7.922 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -17.365 -0.308 -9.854 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -15.914 0.454 -10.298 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -15.974 -1.236 -10.149 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.054 -1.055 -3.842 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.821 -2.032 -3.090 1.00 0.15 C ATOM 1500 C VAL A 89 -16.209 -2.217 -3.698 1.00 0.17 C ATOM 1501 O VAL A 89 -17.045 -1.315 -3.657 1.00 0.20 O ATOM 1502 CB VAL A 89 -14.942 -1.632 -1.602 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.574 -1.291 -1.035 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.897 -0.463 -1.414 1.00 0.21 C ATOM 0 H VAL A 89 -14.559 -0.194 -4.053 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.284 -2.979 -3.144 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.350 -2.485 -1.060 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.674 -1.011 0.014 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -12.919 -2.158 -1.118 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.146 -0.459 -1.593 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -15.957 -0.209 -0.356 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.532 0.398 -1.974 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.887 -0.739 -1.778 1.00 0.21 H new ATOM 1514 N SER A 90 -16.444 -3.388 -4.276 1.00 0.20 N ATOM 1515 CA SER A 90 -17.731 -3.682 -4.892 1.00 0.24 C ATOM 1516 C SER A 90 -18.762 -4.029 -3.828 1.00 0.23 C ATOM 1517 O SER A 90 -19.163 -5.183 -3.691 1.00 0.22 O ATOM 1518 CB SER A 90 -17.594 -4.835 -5.886 1.00 0.27 C ATOM 1519 OG SER A 90 -16.563 -4.580 -6.825 1.00 1.15 O ATOM 0 H SER A 90 -15.764 -4.146 -4.331 1.00 0.20 H new ATOM 0 HA SER A 90 -18.067 -2.795 -5.428 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.380 -5.759 -5.349 1.00 0.27 H new ATOM 0 HB3 SER A 90 -18.539 -4.982 -6.410 1.00 0.27 H new ATOM 0 HG SER A 90 -16.386 -5.392 -7.345 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.189 -3.020 -3.077 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.170 -3.215 -2.019 1.00 0.31 C ATOM 1527 C LYS A 91 -21.398 -3.950 -2.544 1.00 0.33 C ATOM 1528 O LYS A 91 -22.116 -4.601 -1.785 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.583 -1.865 -1.433 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.478 -1.978 -0.211 1.00 0.80 C ATOM 1531 CD LYS A 91 -21.813 -0.610 0.360 1.00 1.43 C ATOM 1532 CE LYS A 91 -22.671 -0.724 1.610 1.00 1.61 C ATOM 1533 NZ LYS A 91 -23.954 -1.429 1.342 1.00 1.86 N ATOM 0 H LYS A 91 -18.870 -2.057 -3.183 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.713 -3.823 -1.238 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -19.687 -1.306 -1.165 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.101 -1.289 -2.200 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -22.398 -2.497 -0.479 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -20.982 -2.580 0.550 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -20.892 -0.078 0.597 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -22.338 -0.020 -0.391 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -22.118 -1.259 2.382 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -22.879 0.273 1.999 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -24.592 -1.310 2.155 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -24.399 -1.029 0.491 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -23.769 -2.442 1.193 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.631 -3.842 -3.847 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.764 -4.501 -4.479 1.00 0.41 C ATOM 1549 C GLU A 92 -22.595 -6.012 -4.430 1.00 0.35 C ATOM 1550 O GLU A 92 -23.572 -6.761 -4.380 1.00 0.39 O ATOM 1551 CB GLU A 92 -22.895 -4.043 -5.929 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.100 -2.545 -6.075 1.00 0.57 C ATOM 1553 CD GLU A 92 -24.403 -2.070 -5.461 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -24.413 -1.769 -4.249 1.00 2.09 O ATOM 1555 OE2 GLU A 92 -25.413 -2.001 -6.193 1.00 1.29 O ATOM 0 H GLU A 92 -21.048 -3.302 -4.486 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.669 -4.230 -3.935 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -21.998 -4.334 -6.476 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.734 -4.563 -6.392 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -22.269 -2.021 -5.603 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -23.084 -2.282 -7.133 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.343 -6.449 -4.447 1.00 0.30 N ATOM 1563 CA ALA A 93 -21.022 -7.869 -4.409 1.00 0.30 C ATOM 1564 C ALA A 93 -20.172 -8.225 -3.190 1.00 0.26 C ATOM 1565 O ALA A 93 -19.829 -9.389 -2.987 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.302 -8.267 -5.685 1.00 0.36 C ATOM 0 H ALA A 93 -20.529 -5.836 -4.487 1.00 0.30 H new ATOM 0 HA ALA A 93 -21.957 -8.423 -4.330 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -20.064 -9.330 -5.652 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -20.944 -8.065 -6.543 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.381 -7.692 -5.778 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.832 -7.222 -2.381 1.00 0.18 N ATOM 1573 CA ASN A 94 -19.020 -7.439 -1.194 1.00 0.18 C ATOM 1574 C ASN A 94 -17.576 -7.753 -1.571 1.00 0.19 C ATOM 1575 O ASN A 94 -16.817 -8.274 -0.759 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.598 -8.579 -0.352 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.094 -8.443 -0.143 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.891 -8.971 -0.919 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.480 -7.732 0.908 1.00 0.44 N ATOM 0 H ASN A 94 -20.109 -6.252 -2.530 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.032 -6.521 -0.606 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.387 -9.530 -0.840 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.099 -8.600 0.617 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.474 -7.604 1.100 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.783 -7.313 1.524 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.196 -7.423 -2.804 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.841 -7.680 -3.273 1.00 0.15 C ATOM 1588 C ARG A 95 -14.955 -6.461 -3.060 1.00 0.13 C ATOM 1589 O ARG A 95 -15.440 -5.375 -2.745 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.853 -8.064 -4.750 1.00 0.18 C ATOM 1591 CG ARG A 95 -16.881 -9.127 -5.085 1.00 0.26 C ATOM 1592 CD ARG A 95 -16.997 -9.328 -6.584 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.363 -8.094 -7.275 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.396 -7.972 -8.598 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -17.076 -9.003 -9.367 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -17.745 -6.819 -9.152 1.00 1.98 N ATOM 0 H ARG A 95 -17.806 -6.980 -3.491 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.434 -8.510 -2.695 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.052 -7.175 -5.348 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.864 -8.423 -5.033 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.603 -10.068 -4.610 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.851 -8.839 -4.678 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -16.048 -9.695 -6.975 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.744 -10.094 -6.790 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.607 -7.280 -6.710 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -16.804 -9.890 -8.943 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.101 -8.909 -10.382 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -17.989 -6.023 -8.563 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -17.770 -6.728 -10.168 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.655 -6.650 -3.235 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.699 -5.570 -3.052 1.00 0.10 C ATOM 1612 C TYR A 96 -11.566 -5.646 -4.064 1.00 0.08 C ATOM 1613 O TYR A 96 -10.901 -6.674 -4.190 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.140 -5.628 -1.636 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.205 -5.477 -0.579 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.047 -6.530 -0.267 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.353 -4.285 0.119 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.014 -6.404 0.711 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.314 -4.150 1.100 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.188 -5.186 1.344 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.101 -5.082 2.373 1.00 0.17 O ATOM 0 H TYR A 96 -13.239 -7.542 -3.504 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.216 -4.624 -3.209 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.625 -6.578 -1.493 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.397 -4.840 -1.511 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -13.946 -7.466 -0.797 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.706 -3.451 -0.110 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.630 -7.250 0.980 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.380 -3.237 1.673 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.655 -4.285 2.239 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.349 -4.550 -4.781 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.288 -4.490 -5.773 1.00 0.07 C ATOM 1633 C LEU A 97 -8.994 -4.025 -5.127 1.00 0.07 C ATOM 1634 O LEU A 97 -8.865 -2.864 -4.741 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.664 -3.534 -6.902 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.632 -3.427 -8.025 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.473 -4.759 -8.741 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -10.027 -2.332 -9.004 1.00 0.13 C ATOM 0 H LEU A 97 -11.894 -3.693 -4.693 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.149 -5.489 -6.186 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.613 -3.856 -7.330 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.825 -2.542 -6.480 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.670 -3.165 -7.585 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.734 -4.659 -9.536 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.142 -5.517 -8.031 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.429 -5.058 -9.170 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.283 -2.268 -9.798 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -11.000 -2.565 -9.437 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -10.082 -1.378 -8.480 1.00 0.13 H new ATOM 1650 N ILE A 98 -8.033 -4.927 -5.024 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.757 -4.600 -4.418 1.00 0.09 C ATOM 1652 C ILE A 98 -5.614 -4.867 -5.377 1.00 0.09 C ATOM 1653 O ILE A 98 -5.763 -5.610 -6.344 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.524 -5.418 -3.138 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.471 -6.913 -3.460 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.612 -5.130 -2.116 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.123 -7.380 -3.963 1.00 0.11 C ATOM 0 H ILE A 98 -8.113 -5.889 -5.352 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.786 -3.539 -4.171 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.565 -5.124 -2.711 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.730 -7.478 -2.564 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.228 -7.141 -4.211 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.431 -5.718 -1.216 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.603 -4.069 -1.864 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.583 -5.396 -2.534 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.162 -8.449 -4.170 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.870 -6.843 -4.877 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.364 -7.185 -3.205 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.475 -4.252 -5.111 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.306 -4.450 -5.946 1.00 0.11 C ATOM 1671 C PHE A 99 -2.310 -5.351 -5.234 1.00 0.12 C ATOM 1672 O PHE A 99 -1.749 -4.977 -4.210 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.652 -3.117 -6.299 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.594 -3.249 -7.353 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.921 -3.168 -8.697 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.273 -3.462 -6.999 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.948 -3.296 -9.669 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.704 -3.592 -7.965 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.367 -3.507 -9.302 1.00 0.15 C ATOM 0 H PHE A 99 -4.336 -3.614 -4.327 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.623 -4.926 -6.874 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.418 -2.422 -6.644 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.211 -2.685 -5.401 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.948 -3.003 -8.988 1.00 0.16 H new ATOM 0 HD2 PHE A 99 -0.004 -3.527 -5.955 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.215 -3.231 -10.714 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.731 -3.760 -7.676 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.131 -3.605 -10.059 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.107 -6.543 -5.775 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.190 -7.505 -5.179 1.00 0.20 C ATOM 1691 C ASP A 100 0.259 -7.046 -5.303 1.00 0.15 C ATOM 1692 O ASP A 100 0.804 -6.952 -6.403 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.365 -8.873 -5.830 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.577 -9.955 -5.121 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.665 -9.971 -5.256 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.201 -10.787 -4.433 1.00 0.58 O ATOM 0 H ASP A 100 -2.565 -6.868 -6.626 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.428 -7.580 -4.118 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.422 -9.139 -5.832 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -1.048 -8.820 -6.872 1.00 0.28 H new ATOM 1701 N LEU A 101 0.873 -6.764 -4.161 1.00 0.14 N ATOM 1702 CA LEU A 101 2.259 -6.314 -4.116 1.00 0.12 C ATOM 1703 C LEU A 101 3.235 -7.459 -4.393 1.00 0.13 C ATOM 1704 O LEU A 101 4.441 -7.239 -4.505 1.00 0.16 O ATOM 1705 CB LEU A 101 2.552 -5.698 -2.742 1.00 0.14 C ATOM 1706 CG LEU A 101 1.905 -4.332 -2.463 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.584 -4.180 -3.200 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.683 -4.149 -0.971 1.00 0.11 C ATOM 0 H LEU A 101 0.429 -6.840 -3.246 1.00 0.14 H new ATOM 0 HA LEU A 101 2.398 -5.566 -4.896 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.221 -6.398 -1.974 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.632 -5.595 -2.635 1.00 0.14 H new ATOM 0 HG LEU A 101 2.588 -3.564 -2.826 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.155 -3.203 -2.980 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.754 -4.268 -4.273 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.105 -4.960 -2.876 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.224 -3.177 -0.788 1.00 0.11 H new ATOM 0 HD22 LEU A 101 1.026 -4.936 -0.602 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.640 -4.202 -0.452 1.00 0.11 H new ATOM 1720 N GLU A 102 2.713 -8.679 -4.507 1.00 0.14 N ATOM 1721 CA GLU A 102 3.549 -9.845 -4.765 1.00 0.16 C ATOM 1722 C GLU A 102 3.675 -10.097 -6.260 1.00 0.16 C ATOM 1723 O GLU A 102 4.765 -10.352 -6.774 1.00 0.20 O ATOM 1724 CB GLU A 102 2.956 -11.078 -4.082 1.00 0.17 C ATOM 1725 CG GLU A 102 2.414 -10.798 -2.692 1.00 0.21 C ATOM 1726 CD GLU A 102 1.991 -12.056 -1.961 1.00 0.23 C ATOM 1727 OE1 GLU A 102 0.853 -12.520 -2.186 1.00 0.29 O ATOM 1728 OE2 GLU A 102 2.798 -12.580 -1.165 1.00 0.32 O ATOM 0 H GLU A 102 1.717 -8.883 -4.425 1.00 0.14 H new ATOM 0 HA GLU A 102 4.542 -9.651 -4.359 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.154 -11.477 -4.703 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.722 -11.851 -4.016 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.176 -10.283 -2.107 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.561 -10.124 -2.769 1.00 0.21 H new ATOM 1735 N GLN A 103 2.545 -10.021 -6.952 1.00 0.15 N ATOM 1736 CA GLN A 103 2.505 -10.243 -8.390 1.00 0.16 C ATOM 1737 C GLN A 103 2.545 -8.925 -9.159 1.00 0.15 C ATOM 1738 O GLN A 103 2.770 -8.912 -10.368 1.00 0.17 O ATOM 1739 CB GLN A 103 1.242 -11.015 -8.760 1.00 0.17 C ATOM 1740 CG GLN A 103 0.905 -12.114 -7.773 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.352 -12.873 -8.146 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.682 -13.012 -9.324 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.061 -13.365 -7.138 1.00 0.45 N ATOM 0 H GLN A 103 1.639 -9.806 -6.536 1.00 0.15 H new ATOM 0 HA GLN A 103 3.386 -10.823 -8.665 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.404 -10.321 -8.821 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.367 -11.451 -9.751 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.741 -12.811 -7.713 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.781 -11.680 -6.781 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.748 -13.224 -6.178 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -1.919 -13.884 -7.324 1.00 0.45 H new ATOM 1752 N ARG A 104 2.321 -7.818 -8.453 1.00 0.15 N ATOM 1753 CA ARG A 104 2.325 -6.503 -9.077 1.00 0.15 C ATOM 1754 C ARG A 104 1.118 -6.350 -9.989 1.00 0.16 C ATOM 1755 O ARG A 104 1.150 -5.598 -10.963 1.00 0.20 O ATOM 1756 CB ARG A 104 3.613 -6.295 -9.874 1.00 0.16 C ATOM 1757 CG ARG A 104 4.870 -6.610 -9.080 1.00 0.17 C ATOM 1758 CD ARG A 104 6.123 -6.334 -9.893 1.00 0.21 C ATOM 1759 NE ARG A 104 7.339 -6.730 -9.185 1.00 0.79 N ATOM 1760 CZ ARG A 104 8.525 -6.859 -9.771 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.655 -6.626 -11.071 1.00 0.64 N ATOM 1762 NH2 ARG A 104 9.583 -7.223 -9.060 1.00 1.67 N ATOM 0 H ARG A 104 2.135 -7.809 -7.450 1.00 0.15 H new ATOM 0 HA ARG A 104 2.273 -5.748 -8.293 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.587 -6.924 -10.764 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.657 -5.261 -10.216 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.886 -6.011 -8.169 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.856 -7.656 -8.774 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.065 -6.870 -10.840 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.173 -5.271 -10.131 1.00 0.21 H new ATOM 0 HE ARG A 104 7.274 -6.918 -8.185 1.00 0.79 H new ATOM 0 HH11 ARG A 104 7.844 -6.347 -11.623 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.566 -6.726 -11.518 1.00 0.64 H new ATOM 0 HH21 ARG A 104 9.488 -7.405 -8.061 1.00 1.67 H new ATOM 0 HH22 ARG A 104 10.492 -7.321 -9.512 1.00 1.67 H new ATOM 1776 N ASN A 105 0.049 -7.067 -9.661 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.171 -7.026 -10.453 1.00 0.16 C ATOM 1778 C ASN A 105 -2.395 -6.816 -9.568 1.00 0.13 C ATOM 1779 O ASN A 105 -2.384 -7.159 -8.386 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.328 -8.327 -11.237 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.451 -9.535 -10.327 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -1.944 -9.430 -9.203 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.008 -10.690 -10.806 1.00 0.45 N ATOM 0 H ASN A 105 0.004 -7.684 -8.850 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.095 -6.187 -11.144 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.211 -8.262 -11.872 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.470 -8.457 -11.897 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.069 -11.535 -10.238 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.606 -10.733 -11.743 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.474 -6.245 -10.133 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.715 -6.001 -9.400 1.00 0.13 C ATOM 1792 C PRO A 106 -5.468 -7.292 -9.114 1.00 0.15 C ATOM 1793 O PRO A 106 -5.227 -8.318 -9.750 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.534 -5.105 -10.339 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.595 -4.694 -11.422 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.574 -5.785 -11.521 1.00 0.22 C ATOM 0 HA PRO A 106 -4.526 -5.547 -8.427 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.390 -5.643 -10.746 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.926 -4.237 -9.809 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.122 -4.566 -12.367 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.124 -3.739 -11.188 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.894 -6.582 -12.192 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.620 -5.416 -11.897 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.380 -7.233 -8.156 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.171 -8.394 -7.781 1.00 0.13 C ATOM 1806 C ARG A 107 -8.469 -7.977 -7.108 1.00 0.11 C ATOM 1807 O ARG A 107 -8.546 -6.921 -6.487 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.372 -9.300 -6.845 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.305 -10.113 -7.556 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.599 -11.062 -6.598 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.520 -12.004 -5.968 1.00 0.35 N ATOM 1812 CZ ARG A 107 -5.123 -13.047 -5.244 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -3.829 -13.274 -5.061 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -6.017 -13.861 -4.701 1.00 1.02 N ATOM 0 H ARG A 107 -6.591 -6.390 -7.622 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.414 -8.942 -8.691 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.900 -8.689 -6.076 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -7.057 -9.979 -6.337 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.760 -10.683 -8.366 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.575 -9.442 -8.009 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.831 -11.615 -7.139 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -4.091 -10.484 -5.826 1.00 0.27 H new ATOM 0 HE ARG A 107 -6.522 -11.854 -6.090 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -3.138 -12.649 -5.475 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -3.525 -14.074 -4.506 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -7.013 -13.689 -4.838 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -5.709 -14.660 -4.146 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.482 -8.819 -7.236 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.781 -8.548 -6.639 1.00 0.12 C ATOM 1830 C VAL A 108 -11.114 -9.598 -5.589 1.00 0.12 C ATOM 1831 O VAL A 108 -11.496 -10.720 -5.919 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.897 -8.523 -7.699 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.245 -8.242 -7.053 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.587 -7.491 -8.771 1.00 0.61 C ATOM 0 H VAL A 108 -9.430 -9.699 -7.750 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.723 -7.565 -6.172 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.946 -9.504 -8.171 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -14.020 -8.229 -7.819 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.469 -9.021 -6.324 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.214 -7.275 -6.552 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.386 -7.486 -9.513 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.509 -6.504 -8.315 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.643 -7.742 -9.256 1.00 0.61 H new ATOM 1844 N LEU A 109 -10.969 -9.227 -4.324 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.250 -10.144 -3.230 1.00 0.12 C ATOM 1846 C LEU A 109 -12.704 -10.062 -2.811 1.00 0.12 C ATOM 1847 O LEU A 109 -13.434 -9.161 -3.219 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.368 -9.833 -2.022 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.883 -10.138 -2.197 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.267 -9.204 -3.224 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -8.163 -10.022 -0.861 1.00 0.14 C ATOM 0 H LEU A 109 -10.659 -8.300 -4.032 1.00 0.12 H new ATOM 0 HA LEU A 109 -11.036 -11.151 -3.588 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.478 -8.777 -1.776 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.739 -10.399 -1.168 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.775 -11.160 -2.560 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.208 -9.435 -3.337 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.771 -9.334 -4.182 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.380 -8.172 -2.891 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -7.104 -10.242 -0.998 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.276 -9.010 -0.473 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.592 -10.732 -0.154 1.00 0.14 H new ATOM 1863 N GLU A 110 -13.116 -11.020 -2.002 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.470 -11.056 -1.492 1.00 0.13 C ATOM 1865 C GLU A 110 -14.464 -10.615 -0.039 1.00 0.12 C ATOM 1866 O GLU A 110 -13.452 -10.745 0.644 1.00 0.12 O ATOM 1867 CB GLU A 110 -15.051 -12.462 -1.618 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.741 -13.122 -2.949 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.531 -14.397 -3.166 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -16.677 -14.310 -3.653 1.00 0.33 O ATOM 1871 OE2 GLU A 110 -15.002 -15.484 -2.849 1.00 0.34 O ATOM 0 H GLU A 110 -12.526 -11.788 -1.683 1.00 0.13 H new ATOM 0 HA GLU A 110 -15.094 -10.379 -2.075 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.659 -13.083 -0.812 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -16.132 -12.414 -1.487 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.958 -12.423 -3.756 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.676 -13.346 -3.000 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.586 -10.104 0.440 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.673 -9.641 1.820 1.00 0.13 C ATOM 1880 C GLN A 111 -15.084 -10.670 2.778 1.00 0.12 C ATOM 1881 O GLN A 111 -14.313 -10.330 3.675 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.125 -9.341 2.182 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.338 -9.068 3.657 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.504 -8.139 3.921 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.650 -8.574 4.029 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.209 -6.852 4.038 1.00 0.31 N ATOM 0 H GLN A 111 -16.445 -9.999 -0.100 1.00 0.13 H new ATOM 0 HA GLN A 111 -15.091 -8.724 1.913 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.463 -8.478 1.609 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.747 -10.185 1.884 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.507 -10.012 4.175 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.431 -8.632 4.076 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.243 -6.539 3.940 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -18.948 -6.174 4.226 1.00 0.31 H new ATOM 1895 N SER A 112 -15.440 -11.926 2.572 1.00 0.13 N ATOM 1896 CA SER A 112 -14.932 -12.998 3.412 1.00 0.14 C ATOM 1897 C SER A 112 -13.412 -13.046 3.337 1.00 0.14 C ATOM 1898 O SER A 112 -12.736 -13.291 4.336 1.00 0.16 O ATOM 1899 CB SER A 112 -15.524 -14.341 2.984 1.00 0.16 C ATOM 1900 OG SER A 112 -16.912 -14.401 3.266 1.00 0.95 O ATOM 0 H SER A 112 -16.076 -12.228 1.834 1.00 0.13 H new ATOM 0 HA SER A 112 -15.229 -12.802 4.442 1.00 0.14 H new ATOM 0 HB2 SER A 112 -15.360 -14.490 1.917 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.009 -15.150 3.502 1.00 0.16 H new ATOM 0 HG SER A 112 -17.266 -15.269 2.981 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.881 -12.809 2.141 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.443 -12.811 1.927 1.00 0.13 C ATOM 1908 C GLU A 113 -10.819 -11.541 2.485 1.00 0.14 C ATOM 1909 O GLU A 113 -9.875 -11.591 3.274 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.129 -12.930 0.439 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.672 -14.196 -0.195 1.00 0.18 C ATOM 1912 CD GLU A 113 -11.162 -15.454 0.482 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -10.088 -15.949 0.080 1.00 0.31 O ATOM 1914 OE2 GLU A 113 -11.836 -15.942 1.413 1.00 0.30 O ATOM 0 H GLU A 113 -13.430 -12.613 1.304 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.021 -13.669 2.449 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.543 -12.066 -0.082 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.048 -12.898 0.300 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.761 -14.181 -0.152 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.395 -14.218 -1.249 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.356 -10.400 2.068 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.858 -9.117 2.524 1.00 0.12 C ATOM 1923 C PHE A 114 -10.957 -9.027 4.041 1.00 0.13 C ATOM 1924 O PHE A 114 -10.016 -8.606 4.710 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.642 -7.977 1.874 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.131 -6.622 2.259 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -11.597 -5.990 3.400 1.00 0.14 C ATOM 1928 CD2 PHE A 114 -10.196 -5.975 1.472 1.00 0.12 C ATOM 1929 CE1 PHE A 114 -11.136 -4.736 3.748 1.00 0.15 C ATOM 1930 CE2 PHE A 114 -9.733 -4.721 1.814 1.00 0.13 C ATOM 1931 CZ PHE A 114 -10.167 -4.126 2.992 1.00 0.14 C ATOM 0 H PHE A 114 -12.137 -10.342 1.414 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.812 -9.026 2.233 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.595 -8.083 0.790 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.692 -8.057 2.157 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -12.328 -6.483 4.024 1.00 0.14 H new ATOM 0 HD2 PHE A 114 -9.824 -6.457 0.580 1.00 0.12 H new ATOM 0 HE1 PHE A 114 -11.538 -4.235 4.616 1.00 0.15 H new ATOM 0 HE2 PHE A 114 -9.037 -4.205 1.169 1.00 0.13 H new ATOM 0 HZ PHE A 114 -9.743 -3.186 3.312 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.106 -9.426 4.573 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.324 -9.417 6.013 1.00 0.14 C ATOM 1943 C GLU A 115 -11.299 -10.304 6.692 1.00 0.15 C ATOM 1944 O GLU A 115 -10.847 -10.030 7.803 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.725 -9.922 6.339 1.00 0.14 C ATOM 1946 CG GLU A 115 -14.823 -8.926 6.031 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.206 -9.476 6.321 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.471 -10.639 5.952 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.025 -8.742 6.913 1.00 0.66 O ATOM 0 H GLU A 115 -12.901 -9.760 4.028 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.221 -8.394 6.376 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -13.910 -10.838 5.777 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.770 -10.182 7.397 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.664 -8.022 6.619 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -14.763 -8.638 4.982 1.00 0.14 H new ATOM 1956 N ALA A 116 -10.945 -11.376 6.000 1.00 0.13 N ATOM 1957 CA ALA A 116 -9.979 -12.337 6.500 1.00 0.15 C ATOM 1958 C ALA A 116 -8.557 -11.781 6.460 1.00 0.16 C ATOM 1959 O ALA A 116 -7.626 -12.407 6.969 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.070 -13.614 5.684 1.00 0.17 C ATOM 0 H ALA A 116 -11.319 -11.602 5.079 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.215 -12.549 7.543 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.345 -14.337 6.058 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.074 -14.029 5.769 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -9.856 -13.394 4.638 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.389 -10.608 5.853 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.075 -9.989 5.748 1.00 0.18 C ATOM 1968 C LEU A 117 -7.048 -8.627 6.433 1.00 0.19 C ATOM 1969 O LEU A 117 -6.051 -8.246 7.044 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.693 -9.840 4.275 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.701 -11.144 3.477 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.576 -10.864 1.988 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.581 -12.060 3.947 1.00 0.23 C ATOM 0 H LEU A 117 -9.145 -10.071 5.429 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.353 -10.632 6.251 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.381 -9.138 3.805 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.698 -9.399 4.215 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.653 -11.647 3.649 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.584 -11.806 1.439 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.413 -10.247 1.662 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.641 -10.338 1.794 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.600 -12.984 3.369 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.621 -11.563 3.805 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.718 -12.290 5.004 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.153 -7.898 6.331 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.255 -6.576 6.929 1.00 0.14 C ATOM 1987 C TYR A 118 -8.114 -6.647 8.445 1.00 0.20 C ATOM 1988 O TYR A 118 -8.681 -7.529 9.090 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.590 -5.931 6.562 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.660 -4.461 6.897 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.701 -3.575 6.426 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.688 -3.961 7.680 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.766 -2.229 6.729 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.763 -2.617 7.989 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.775 -1.755 7.516 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.870 -0.416 7.810 1.00 0.33 O ATOM 0 H TYR A 118 -8.992 -8.203 5.838 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.441 -5.966 6.536 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.766 -6.061 5.494 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.392 -6.453 7.083 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -7.892 -3.944 5.813 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.444 -4.634 8.055 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.018 -1.552 6.343 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.577 -2.239 8.590 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.258 -0.304 8.703 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.355 -5.712 9.008 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.143 -5.669 10.451 1.00 0.29 C ATOM 2008 C GLN A 119 -7.679 -4.372 11.053 1.00 0.26 C ATOM 2009 O GLN A 119 -7.170 -3.889 12.064 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.657 -5.824 10.780 1.00 0.36 C ATOM 2011 CG GLN A 119 -5.105 -7.196 10.435 1.00 0.56 C ATOM 2012 CD GLN A 119 -3.773 -7.471 11.101 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -3.466 -6.912 12.153 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -2.982 -8.346 10.498 1.00 0.36 N ATOM 0 H GLN A 119 -6.877 -4.975 8.489 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.693 -6.501 10.891 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.091 -5.066 10.239 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.506 -5.636 11.843 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -5.823 -7.959 10.737 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -4.990 -7.276 9.354 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -3.278 -8.785 9.626 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -2.077 -8.581 10.905 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.710 -3.813 10.425 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.304 -2.579 10.916 1.00 0.25 C ATOM 2025 C GLY A 120 -8.385 -1.377 10.795 1.00 0.22 C ATOM 2026 O GLY A 120 -8.709 -0.296 11.288 1.00 0.35 O ATOM 0 H GLY A 120 -9.146 -4.192 9.584 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.223 -2.382 10.363 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.583 -2.710 11.962 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.245 -1.551 10.135 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.294 -0.461 9.963 1.00 0.18 C ATOM 2032 C HIS A 121 -5.924 -0.289 8.498 1.00 0.17 C ATOM 2033 O HIS A 121 -5.722 -1.266 7.778 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.035 -0.709 10.794 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.182 -0.306 12.227 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -4.958 -1.165 13.282 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.531 0.879 12.776 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.165 -0.523 14.419 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.512 0.719 14.139 1.00 0.29 N ATOM 0 H HIS A 121 -6.958 -2.434 9.712 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.770 0.456 10.310 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.779 -1.767 10.746 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.203 -0.160 10.353 1.00 0.21 H new ATOM 0 HD1 HIS A 121 -4.677 -2.142 13.198 1.00 0.29 H new ATOM 0 HD2 HIS A 121 -5.779 1.784 12.241 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.067 -0.944 15.409 1.00 0.32 H new ATOM 2048 N ILE A 122 -5.839 0.961 8.062 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.493 1.258 6.683 1.00 0.08 C ATOM 2050 C ILE A 122 -4.701 2.557 6.579 1.00 0.08 C ATOM 2051 O ILE A 122 -4.813 3.436 7.432 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.752 1.346 5.799 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.364 1.351 4.325 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.570 2.584 6.142 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.489 0.924 3.411 1.00 0.12 C ATOM 0 H ILE A 122 -6.005 1.782 8.644 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.870 0.439 6.325 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.370 0.469 5.993 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -6.038 2.353 4.045 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.513 0.686 4.178 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.454 2.624 5.505 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.878 2.539 7.187 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -6.965 3.476 5.980 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.147 0.950 2.376 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.800 -0.089 3.666 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.333 1.603 3.531 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.899 2.664 5.527 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.084 3.846 5.304 1.00 0.08 C ATOM 2069 C ILE A 123 -3.572 4.626 4.094 1.00 0.08 C ATOM 2070 O ILE A 123 -3.532 4.135 2.966 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.606 3.468 5.104 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.101 2.711 6.327 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.762 4.711 4.853 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.308 2.188 6.179 1.00 0.10 C ATOM 0 H ILE A 123 -3.797 1.942 4.814 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.174 4.473 6.191 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.520 2.824 4.229 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.145 3.369 7.195 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.770 1.874 6.527 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.280 4.422 4.714 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.120 5.219 3.957 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.841 5.383 5.707 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.598 1.661 7.088 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.355 1.503 5.332 1.00 0.10 H new ATOM 0 HD13 ILE A 123 0.990 3.022 6.010 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.034 5.842 4.340 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.529 6.697 3.272 1.00 0.09 C ATOM 2088 C LEU A 124 -3.408 7.574 2.730 1.00 0.09 C ATOM 2089 O LEU A 124 -2.697 8.227 3.493 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.677 7.569 3.783 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.809 6.804 4.472 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.865 7.769 4.988 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.427 5.792 3.518 1.00 0.13 C ATOM 0 H LEU A 124 -4.077 6.259 5.270 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.898 6.064 2.465 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.274 8.301 4.483 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.093 8.126 2.943 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.393 6.263 5.322 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.663 7.209 5.475 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.413 8.454 5.705 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.277 8.337 4.154 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.230 5.257 4.025 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.829 6.311 2.648 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.665 5.082 3.197 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.252 7.586 1.412 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.210 8.381 0.782 1.00 0.11 C ATOM 2107 C ILE A 125 -2.801 9.501 -0.063 1.00 0.12 C ATOM 2108 O ILE A 125 -3.920 9.399 -0.567 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.284 7.512 -0.097 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.586 6.452 0.753 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.251 8.369 -0.821 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.437 5.232 1.024 1.00 0.11 C ATOM 0 H ILE A 125 -3.832 7.056 0.762 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.620 8.817 1.588 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.900 7.016 -0.847 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.330 6.141 0.250 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.292 6.897 1.703 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.387 7.731 -1.432 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.760 9.091 -1.459 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.359 8.899 -0.090 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.875 4.524 1.633 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.341 5.530 1.555 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.710 4.762 0.079 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.032 10.569 -0.204 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.444 11.723 -0.985 1.00 0.14 C ATOM 2126 C ALA A 126 -1.227 12.526 -1.420 1.00 0.13 C ATOM 2127 O ALA A 126 -0.192 12.506 -0.757 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.395 12.592 -0.182 1.00 0.17 C ATOM 0 H ALA A 126 -1.108 10.660 0.218 1.00 0.12 H new ATOM 0 HA ALA A 126 -2.966 11.374 -1.876 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.695 13.452 -0.780 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.278 12.012 0.088 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.896 12.936 0.724 1.00 0.17 H new ATOM 2134 N SER A 127 -1.353 13.225 -2.536 1.00 0.19 N ATOM 2135 CA SER A 127 -0.253 14.027 -3.053 1.00 0.19 C ATOM 2136 C SER A 127 -0.710 15.436 -3.407 1.00 0.26 C ATOM 2137 O SER A 127 -1.892 15.677 -3.651 1.00 0.28 O ATOM 2138 CB SER A 127 0.366 13.352 -4.276 1.00 0.23 C ATOM 2139 OG SER A 127 1.409 14.141 -4.821 1.00 0.27 O ATOM 0 H SER A 127 -2.202 13.254 -3.101 1.00 0.19 H new ATOM 0 HA SER A 127 0.500 14.105 -2.268 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.755 12.373 -3.997 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.402 13.187 -5.032 1.00 0.23 H new ATOM 0 HG SER A 127 1.790 13.686 -5.601 1.00 0.27 H new