USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= 0.896 K(o=-1.4,f=-6.2) USER MOD Set 1.2: A 105 ASN : amide:sc= -2.25! C(o=-1.4!,f=-5.4!) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.1) USER MOD Set 2.2: A 111 GLN : amide:sc= 0 K(o=-0.29,f=-0.89) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -106:sc= 1.08 USER MOD Single : A 12 TYR OH : rot 15:sc= -1.42 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 21 HIS : no HD1:sc= -4.52 K(o=-4.5,f=-7.8!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0517 F(o=-0.61,f=-0.052) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.7) 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 -26:sc= 0.45 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 52 SER OG : rot 69:sc= 0.888 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.229) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0763 F(o=-0.79,f=-0.076) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 133:sc= -0.282 (180deg=-0.689) USER MOD Single : A 63 THR OG1 : rot 80:sc= -1.47! USER MOD Single : A 68 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-10!) USER MOD Single : A 87 THR OG1 : rot -36:sc= -2.08! USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= -0.0577 (180deg=-0.321) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= 0.929 (180deg=-0.402!) USER MOD Single : A 96 TYR OH : rot 15:sc= -4.15! USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 171:sc= -1.09! USER MOD Single : A 119 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.75!) USER MOD Single : A 121 HIS : no HE2:sc= -2.23 K(o=-2.2,f=-2.9!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.203 -8.528 -1.852 1.00 0.35 N ATOM 147 CA ILE A 7 11.088 -7.642 -2.138 1.00 0.28 C ATOM 148 C ILE A 7 10.259 -7.381 -0.890 1.00 0.24 C ATOM 149 O ILE A 7 10.021 -8.280 -0.084 1.00 0.31 O ATOM 150 CB ILE A 7 10.179 -8.220 -3.238 1.00 0.29 C ATOM 151 CG1 ILE A 7 10.979 -8.443 -4.519 1.00 0.36 C ATOM 152 CG2 ILE A 7 8.998 -7.295 -3.503 1.00 0.27 C ATOM 153 CD1 ILE A 7 10.139 -8.944 -5.671 1.00 0.43 C ATOM 0 HA ILE A 7 11.513 -6.701 -2.488 1.00 0.28 H new ATOM 0 HB ILE A 7 9.790 -9.179 -2.896 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.457 -7.507 -4.808 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.776 -9.160 -4.321 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.369 -7.723 -4.284 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.415 -7.179 -2.590 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.364 -6.320 -3.826 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.770 -9.081 -6.549 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.682 -9.896 -5.401 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.358 -8.217 -5.895 1.00 0.43 H new ATOM 165 N ASP A 8 9.823 -6.140 -0.743 1.00 0.19 N ATOM 166 CA ASP A 8 9.013 -5.742 0.393 1.00 0.16 C ATOM 167 C ASP A 8 7.726 -5.084 -0.086 1.00 0.14 C ATOM 168 O ASP A 8 7.743 -3.978 -0.623 1.00 0.14 O ATOM 169 CB ASP A 8 9.792 -4.779 1.288 1.00 0.19 C ATOM 170 CG ASP A 8 9.032 -4.427 2.551 1.00 1.13 C ATOM 171 OD1 ASP A 8 9.160 -5.171 3.547 1.00 1.06 O ATOM 172 OD2 ASP A 8 8.306 -3.412 2.543 1.00 2.04 O ATOM 0 H ASP A 8 10.019 -5.387 -1.403 1.00 0.19 H new ATOM 0 HA ASP A 8 8.761 -6.631 0.971 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.749 -5.228 1.555 1.00 0.19 H new ATOM 0 HB3 ASP A 8 10.012 -3.867 0.733 1.00 0.19 H new ATOM 177 N TYR A 9 6.610 -5.777 0.113 1.00 0.12 N ATOM 178 CA TYR A 9 5.310 -5.270 -0.302 1.00 0.12 C ATOM 179 C TYR A 9 5.101 -3.852 0.204 1.00 0.11 C ATOM 180 O TYR A 9 4.491 -3.024 -0.472 1.00 0.12 O ATOM 181 CB TYR A 9 4.201 -6.183 0.215 1.00 0.14 C ATOM 182 CG TYR A 9 4.486 -7.647 -0.007 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.084 -8.087 -1.179 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.161 -8.587 0.959 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.352 -9.425 -1.383 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.423 -9.928 0.764 1.00 0.27 C ATOM 187 CZ TYR A 9 5.020 -10.344 -0.409 1.00 0.23 C ATOM 188 OH TYR A 9 5.285 -11.680 -0.606 1.00 0.27 O ATOM 0 H TYR A 9 6.581 -6.693 0.560 1.00 0.12 H new ATOM 0 HA TYR A 9 5.277 -5.255 -1.391 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.059 -6.004 1.281 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.265 -5.923 -0.279 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.344 -7.371 -1.944 1.00 0.15 H new ATOM 0 HD2 TYR A 9 3.695 -8.265 1.879 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.819 -9.751 -2.300 1.00 0.18 H new ATOM 0 HE2 TYR A 9 4.162 -10.648 1.525 1.00 0.27 H new ATOM 0 HH TYR A 9 4.448 -12.156 -0.789 1.00 0.27 H new ATOM 198 N GLY A 10 5.620 -3.570 1.392 1.00 0.10 N ATOM 199 CA GLY A 10 5.482 -2.244 1.945 1.00 0.11 C ATOM 200 C GLY A 10 6.183 -1.224 1.081 1.00 0.10 C ATOM 201 O GLY A 10 5.563 -0.288 0.582 1.00 0.12 O ATOM 0 H GLY A 10 6.130 -4.233 1.976 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.426 -1.990 2.030 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.898 -2.221 2.952 1.00 0.11 H new ATOM 205 N LEU A 11 7.475 -1.426 0.874 1.00 0.10 N ATOM 206 CA LEU A 11 8.254 -0.524 0.048 1.00 0.11 C ATOM 207 C LEU A 11 7.641 -0.441 -1.338 1.00 0.11 C ATOM 208 O LEU A 11 7.536 0.633 -1.927 1.00 0.16 O ATOM 209 CB LEU A 11 9.695 -1.008 -0.047 1.00 0.13 C ATOM 210 CG LEU A 11 10.657 -0.026 -0.708 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.622 1.313 0.011 1.00 0.13 C ATOM 212 CD2 LEU A 11 12.063 -0.599 -0.721 1.00 0.23 C ATOM 0 H LEU A 11 8.003 -2.205 1.267 1.00 0.10 H new ATOM 0 HA LEU A 11 8.248 0.467 0.502 1.00 0.11 H new ATOM 0 HB2 LEU A 11 10.056 -1.229 0.957 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.713 -1.944 -0.605 1.00 0.13 H new ATOM 0 HG LEU A 11 10.344 0.135 -1.740 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.314 2.003 -0.472 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.613 1.722 -0.031 1.00 0.13 H new ATOM 0 HD13 LEU A 11 10.915 1.175 1.052 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.741 0.111 -1.195 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.390 -0.785 0.302 1.00 0.23 H new ATOM 0 HD23 LEU A 11 12.069 -1.535 -1.279 1.00 0.23 H new ATOM 224 N TYR A 12 7.236 -1.598 -1.849 1.00 0.09 N ATOM 225 CA TYR A 12 6.615 -1.677 -3.159 1.00 0.09 C ATOM 226 C TYR A 12 5.326 -0.874 -3.165 1.00 0.09 C ATOM 227 O TYR A 12 5.079 -0.078 -4.071 1.00 0.12 O ATOM 228 CB TYR A 12 6.329 -3.130 -3.523 1.00 0.09 C ATOM 229 CG TYR A 12 5.818 -3.306 -4.931 1.00 0.10 C ATOM 230 CD1 TYR A 12 6.324 -2.541 -5.974 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.830 -4.235 -5.219 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.858 -2.697 -7.264 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.358 -4.399 -6.506 1.00 0.12 C ATOM 234 CZ TYR A 12 4.875 -3.627 -7.525 1.00 0.15 C ATOM 235 OH TYR A 12 4.408 -3.786 -8.808 1.00 0.18 O ATOM 0 H TYR A 12 7.328 -2.495 -1.372 1.00 0.09 H new ATOM 0 HA TYR A 12 7.298 -1.262 -3.900 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.241 -3.714 -3.400 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.596 -3.534 -2.825 1.00 0.09 H new ATOM 0 HD1 TYR A 12 7.095 -1.812 -5.772 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.423 -4.841 -4.423 1.00 0.10 H new ATOM 0 HE1 TYR A 12 6.261 -2.094 -8.064 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.588 -5.128 -6.714 1.00 0.12 H new ATOM 0 HH TYR A 12 5.024 -3.354 -9.436 1.00 0.18 H new ATOM 245 N ALA A 13 4.507 -1.090 -2.143 1.00 0.10 N ATOM 246 CA ALA A 13 3.253 -0.373 -2.017 1.00 0.12 C ATOM 247 C ALA A 13 3.524 1.118 -1.998 1.00 0.12 C ATOM 248 O ALA A 13 2.778 1.909 -2.574 1.00 0.13 O ATOM 249 CB ALA A 13 2.520 -0.797 -0.757 1.00 0.13 C ATOM 0 H ALA A 13 4.692 -1.756 -1.393 1.00 0.10 H new ATOM 0 HA ALA A 13 2.619 -0.610 -2.871 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.581 -0.248 -0.680 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.313 -1.866 -0.799 1.00 0.13 H new ATOM 0 HB3 ALA A 13 3.139 -0.581 0.114 1.00 0.13 H new ATOM 255 N LEU A 14 4.608 1.492 -1.328 1.00 0.11 N ATOM 256 CA LEU A 14 5.002 2.884 -1.248 1.00 0.11 C ATOM 257 C LEU A 14 5.345 3.381 -2.640 1.00 0.12 C ATOM 258 O LEU A 14 4.920 4.456 -3.056 1.00 0.14 O ATOM 259 CB LEU A 14 6.211 3.044 -0.329 1.00 0.12 C ATOM 260 CG LEU A 14 6.198 4.284 0.570 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.602 4.596 1.055 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.610 5.487 -0.156 1.00 0.10 C ATOM 0 H LEU A 14 5.226 0.848 -0.834 1.00 0.11 H new ATOM 0 HA LEU A 14 4.178 3.468 -0.838 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.284 2.159 0.303 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.111 3.072 -0.943 1.00 0.12 H new ATOM 0 HG LEU A 14 5.565 4.069 1.431 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.579 5.480 1.693 1.00 0.11 H new ATOM 0 HD12 LEU A 14 7.988 3.749 1.622 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.249 4.784 0.199 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.615 6.351 0.509 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.208 5.706 -1.040 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.586 5.266 -0.456 1.00 0.10 H new ATOM 274 N GLU A 15 6.130 2.579 -3.349 1.00 0.11 N ATOM 275 CA GLU A 15 6.525 2.899 -4.709 1.00 0.13 C ATOM 276 C GLU A 15 5.292 3.046 -5.585 1.00 0.13 C ATOM 277 O GLU A 15 5.121 4.044 -6.278 1.00 0.15 O ATOM 278 CB GLU A 15 7.419 1.794 -5.267 1.00 0.14 C ATOM 279 CG GLU A 15 8.753 1.667 -4.553 1.00 0.16 C ATOM 280 CD GLU A 15 9.446 0.351 -4.849 1.00 0.26 C ATOM 281 OE1 GLU A 15 10.071 0.238 -5.924 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.363 -0.567 -4.007 1.00 0.35 O ATOM 0 H GLU A 15 6.506 1.698 -2.999 1.00 0.11 H new ATOM 0 HA GLU A 15 7.077 3.839 -4.703 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.890 0.843 -5.201 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.600 1.985 -6.325 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.401 2.491 -4.852 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.596 1.758 -3.478 1.00 0.16 H new ATOM 289 N ILE A 16 4.435 2.036 -5.538 1.00 0.11 N ATOM 290 CA ILE A 16 3.208 2.031 -6.315 1.00 0.12 C ATOM 291 C ILE A 16 2.391 3.278 -6.025 1.00 0.11 C ATOM 292 O ILE A 16 1.976 3.993 -6.938 1.00 0.14 O ATOM 293 CB ILE A 16 2.365 0.792 -5.980 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.164 -0.478 -6.261 1.00 0.13 C ATOM 295 CG2 ILE A 16 1.066 0.795 -6.770 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.738 -1.647 -5.409 1.00 0.25 C ATOM 0 H ILE A 16 4.571 1.204 -4.964 1.00 0.11 H new ATOM 0 HA ILE A 16 3.479 2.011 -7.371 1.00 0.12 H new ATOM 0 HB ILE A 16 2.114 0.819 -4.920 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.054 -0.744 -7.312 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.222 -0.279 -6.091 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.484 -0.092 -6.517 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.492 1.688 -6.523 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.289 0.791 -7.837 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.344 -2.518 -5.657 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.874 -1.399 -4.356 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.688 -1.870 -5.597 1.00 0.25 H new ATOM 308 N LEU A 17 2.169 3.532 -4.745 1.00 0.10 N ATOM 309 CA LEU A 17 1.410 4.693 -4.322 1.00 0.10 C ATOM 310 C LEU A 17 2.166 5.958 -4.683 1.00 0.11 C ATOM 311 O LEU A 17 1.579 6.947 -5.117 1.00 0.16 O ATOM 312 CB LEU A 17 1.156 4.627 -2.820 1.00 0.10 C ATOM 313 CG LEU A 17 0.357 3.408 -2.370 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.547 3.166 -0.884 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.116 3.592 -2.705 1.00 0.12 C ATOM 0 H LEU A 17 2.506 2.946 -3.981 1.00 0.10 H new ATOM 0 HA LEU A 17 0.448 4.704 -4.834 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.115 4.630 -2.301 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.625 5.528 -2.514 1.00 0.10 H new ATOM 0 HG LEU A 17 0.724 2.532 -2.905 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.030 2.293 -0.581 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.603 2.993 -0.676 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.205 4.038 -0.327 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.676 2.715 -2.379 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.497 4.476 -2.195 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.231 3.716 -3.782 1.00 0.12 H new ATOM 327 N ALA A 18 3.480 5.912 -4.512 1.00 0.08 N ATOM 328 CA ALA A 18 4.323 7.047 -4.837 1.00 0.10 C ATOM 329 C ALA A 18 4.240 7.330 -6.325 1.00 0.12 C ATOM 330 O ALA A 18 4.164 8.478 -6.755 1.00 0.14 O ATOM 331 CB ALA A 18 5.763 6.784 -4.424 1.00 0.11 C ATOM 0 H ALA A 18 3.982 5.101 -4.150 1.00 0.08 H new ATOM 0 HA ALA A 18 3.970 7.919 -4.286 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.378 7.648 -4.677 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.807 6.610 -3.349 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.138 5.906 -4.950 1.00 0.11 H new ATOM 337 N GLN A 19 4.252 6.262 -7.107 1.00 0.14 N ATOM 338 CA GLN A 19 4.162 6.375 -8.550 1.00 0.16 C ATOM 339 C GLN A 19 2.731 6.682 -8.954 1.00 0.16 C ATOM 340 O GLN A 19 2.484 7.331 -9.971 1.00 0.18 O ATOM 341 CB GLN A 19 4.637 5.088 -9.215 1.00 0.20 C ATOM 342 CG GLN A 19 6.124 4.840 -9.040 1.00 0.23 C ATOM 343 CD GLN A 19 6.650 3.743 -9.947 1.00 0.32 C ATOM 344 OE1 GLN A 19 7.041 4.000 -11.086 1.00 0.80 O ATOM 345 NE2 GLN A 19 6.674 2.513 -9.444 1.00 0.40 N ATOM 0 H GLN A 19 4.324 5.305 -6.763 1.00 0.14 H new ATOM 0 HA GLN A 19 4.806 7.190 -8.881 1.00 0.16 H new ATOM 0 HB2 GLN A 19 4.083 4.246 -8.800 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.404 5.129 -10.279 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.667 5.763 -9.242 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.323 4.573 -8.002 1.00 0.23 H new ATOM 0 HE21 GLN A 19 6.340 2.343 -8.495 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.026 1.739 -10.007 1.00 0.40 H new ATOM 354 N TYR A 20 1.790 6.211 -8.144 1.00 0.16 N ATOM 355 CA TYR A 20 0.381 6.452 -8.396 1.00 0.17 C ATOM 356 C TYR A 20 0.105 7.941 -8.289 1.00 0.16 C ATOM 357 O TYR A 20 -0.742 8.490 -8.993 1.00 0.17 O ATOM 358 CB TYR A 20 -0.477 5.691 -7.389 1.00 0.19 C ATOM 359 CG TYR A 20 -1.950 5.993 -7.506 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.747 5.302 -8.407 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.544 6.967 -6.716 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.095 5.572 -8.518 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.892 7.244 -6.819 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.662 6.558 -7.718 1.00 0.30 C ATOM 365 OH TYR A 20 -6.009 6.817 -7.830 1.00 0.36 O ATOM 0 H TYR A 20 1.981 5.660 -7.307 1.00 0.16 H new ATOM 0 HA TYR A 20 0.130 6.102 -9.397 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.321 4.621 -7.526 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.143 5.935 -6.381 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.305 4.540 -9.032 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -1.941 7.517 -6.009 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.705 5.023 -9.220 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.338 8.001 -6.191 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.258 7.530 -7.206 1.00 0.36 H new ATOM 375 N HIS A 21 0.838 8.582 -7.389 1.00 0.14 N ATOM 376 CA HIS A 21 0.716 10.010 -7.171 1.00 0.15 C ATOM 377 C HIS A 21 1.730 10.784 -8.012 1.00 0.16 C ATOM 378 O HIS A 21 1.727 12.014 -8.018 1.00 0.20 O ATOM 379 CB HIS A 21 0.909 10.326 -5.692 1.00 0.18 C ATOM 380 CG HIS A 21 -0.297 10.018 -4.864 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.319 10.924 -4.727 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.605 8.893 -4.174 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.223 10.337 -3.965 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.835 9.105 -3.603 1.00 0.23 N ATOM 0 H HIS A 21 1.530 8.126 -6.794 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.283 10.320 -7.479 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.758 9.757 -5.313 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.158 11.381 -5.582 1.00 0.18 H new ATOM 0 HD2 HIS A 21 0.000 8.002 -4.090 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.157 10.791 -3.670 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.354 8.452 -3.016 1.00 0.23 H new ATOM 392 N ASN A 22 2.603 10.057 -8.716 1.00 0.15 N ATOM 393 CA ASN A 22 3.613 10.676 -9.560 1.00 0.18 C ATOM 394 C ASN A 22 4.699 11.318 -8.712 1.00 0.19 C ATOM 395 O ASN A 22 5.346 12.279 -9.128 1.00 0.21 O ATOM 396 CB ASN A 22 2.981 11.722 -10.480 1.00 0.20 C ATOM 397 CG ASN A 22 1.775 11.188 -11.231 1.00 0.87 C ATOM 398 OD1 ASN A 22 1.813 9.909 -11.587 1.00 1.35 O flip ATOM 399 ND2 ASN A 22 0.822 11.921 -11.496 1.00 1.28 N flip ATOM 0 H ASN A 22 2.625 9.037 -8.714 1.00 0.15 H new ATOM 0 HA ASN A 22 4.063 9.897 -10.175 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.682 12.587 -9.888 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.726 12.068 -11.196 1.00 0.20 H new ATOM 0 HD21 ASN A 22 0.833 12.898 -11.204 1.00 1.28 H new ATOM 0 HD22 ASN A 22 0.021 11.551 -12.008 1.00 1.28 H new ATOM 406 N VAL A 23 4.893 10.774 -7.519 1.00 0.19 N ATOM 407 CA VAL A 23 5.898 11.282 -6.604 1.00 0.22 C ATOM 408 C VAL A 23 7.116 10.366 -6.585 1.00 0.25 C ATOM 409 O VAL A 23 7.004 9.163 -6.350 1.00 0.35 O ATOM 410 CB VAL A 23 5.330 11.428 -5.179 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.665 10.143 -4.736 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.415 11.835 -4.197 1.00 0.26 C ATOM 0 H VAL A 23 4.364 9.978 -7.164 1.00 0.19 H new ATOM 0 HA VAL A 23 6.200 12.268 -6.957 1.00 0.22 H new ATOM 0 HB VAL A 23 4.579 12.217 -5.196 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.270 10.266 -3.727 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.849 9.902 -5.418 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.395 9.334 -4.743 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.986 11.931 -3.200 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.197 11.076 -4.184 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.842 12.791 -4.502 1.00 0.26 H new ATOM 422 N SER A 24 8.278 10.953 -6.836 1.00 0.22 N ATOM 423 CA SER A 24 9.530 10.208 -6.860 1.00 0.25 C ATOM 424 C SER A 24 9.661 9.311 -5.638 1.00 0.27 C ATOM 425 O SER A 24 9.141 9.619 -4.566 1.00 0.49 O ATOM 426 CB SER A 24 10.714 11.170 -6.917 1.00 0.35 C ATOM 427 OG SER A 24 10.688 11.947 -8.102 1.00 0.82 O ATOM 0 H SER A 24 8.380 11.950 -7.027 1.00 0.22 H new ATOM 0 HA SER A 24 9.527 9.580 -7.751 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.694 11.827 -6.048 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.646 10.607 -6.869 1.00 0.35 H new ATOM 0 HG SER A 24 11.456 12.555 -8.111 1.00 0.82 H new ATOM 433 N VAL A 25 10.360 8.199 -5.815 1.00 0.20 N ATOM 434 CA VAL A 25 10.577 7.250 -4.736 1.00 0.17 C ATOM 435 C VAL A 25 11.819 6.415 -4.998 1.00 0.18 C ATOM 436 O VAL A 25 11.914 5.725 -6.014 1.00 0.25 O ATOM 437 CB VAL A 25 9.368 6.312 -4.553 1.00 0.13 C ATOM 438 CG1 VAL A 25 9.044 5.597 -5.854 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.629 5.307 -3.439 1.00 0.15 C ATOM 0 H VAL A 25 10.788 7.932 -6.701 1.00 0.20 H new ATOM 0 HA VAL A 25 10.711 7.830 -3.823 1.00 0.17 H new ATOM 0 HB VAL A 25 8.507 6.917 -4.271 1.00 0.13 H new ATOM 0 HG11 VAL A 25 8.188 4.939 -5.704 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.807 6.332 -6.624 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.904 5.006 -6.169 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.763 4.655 -3.327 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.505 4.708 -3.688 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.807 5.838 -2.504 1.00 0.15 H new ATOM 449 N ASN A 26 12.774 6.494 -4.084 1.00 0.15 N ATOM 450 CA ASN A 26 14.001 5.731 -4.205 1.00 0.15 C ATOM 451 C ASN A 26 14.048 4.649 -3.139 1.00 0.16 C ATOM 452 O ASN A 26 14.605 4.846 -2.059 1.00 0.17 O ATOM 453 CB ASN A 26 15.213 6.647 -4.079 1.00 0.16 C ATOM 454 CG ASN A 26 16.518 5.909 -4.285 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.556 4.849 -4.909 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.598 6.478 -3.771 1.00 0.20 N ATOM 0 H ASN A 26 12.720 7.080 -3.251 1.00 0.15 H new ATOM 0 HA ASN A 26 14.024 5.261 -5.188 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.134 7.452 -4.810 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.213 7.111 -3.093 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.510 6.036 -3.885 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.517 7.358 -3.261 1.00 0.20 H new ATOM 463 N PRO A 27 13.458 3.481 -3.439 1.00 0.17 N ATOM 464 CA PRO A 27 13.424 2.354 -2.512 1.00 0.19 C ATOM 465 C PRO A 27 14.770 2.141 -1.846 1.00 0.20 C ATOM 466 O PRO A 27 14.853 1.791 -0.671 1.00 0.25 O ATOM 467 CB PRO A 27 13.077 1.183 -3.421 1.00 0.23 C ATOM 468 CG PRO A 27 12.238 1.788 -4.490 1.00 0.30 C ATOM 469 CD PRO A 27 12.782 3.169 -4.711 1.00 0.19 C ATOM 0 HA PRO A 27 12.719 2.496 -1.693 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.973 0.719 -3.833 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.535 0.406 -2.881 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.287 1.198 -5.405 1.00 0.30 H new ATOM 0 HG3 PRO A 27 11.191 1.825 -4.190 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.476 3.197 -5.551 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.988 3.883 -4.929 1.00 0.19 H new ATOM 477 N GLU A 28 15.824 2.372 -2.610 1.00 0.18 N ATOM 478 CA GLU A 28 17.175 2.220 -2.101 1.00 0.19 C ATOM 479 C GLU A 28 17.385 3.170 -0.937 1.00 0.19 C ATOM 480 O GLU A 28 17.931 2.795 0.099 1.00 0.21 O ATOM 481 CB GLU A 28 18.193 2.514 -3.203 1.00 0.21 C ATOM 482 CG GLU A 28 17.931 1.761 -4.495 1.00 0.23 C ATOM 483 CD GLU A 28 18.966 2.060 -5.562 1.00 0.72 C ATOM 484 OE1 GLU A 28 18.833 3.099 -6.242 1.00 1.24 O ATOM 485 OE2 GLU A 28 19.908 1.255 -5.717 1.00 0.70 O ATOM 0 H GLU A 28 15.770 2.666 -3.585 1.00 0.18 H new ATOM 0 HA GLU A 28 17.315 1.193 -1.763 1.00 0.19 H new ATOM 0 HB2 GLU A 28 18.191 3.584 -3.410 1.00 0.21 H new ATOM 0 HB3 GLU A 28 19.190 2.261 -2.841 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.922 0.690 -4.292 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.941 2.023 -4.870 1.00 0.23 H new ATOM 492 N GLU A 29 16.935 4.404 -1.123 1.00 0.18 N ATOM 493 CA GLU A 29 17.052 5.430 -0.099 1.00 0.18 C ATOM 494 C GLU A 29 16.054 5.173 1.012 1.00 0.16 C ATOM 495 O GLU A 29 16.380 5.273 2.195 1.00 0.20 O ATOM 496 CB GLU A 29 16.812 6.808 -0.705 1.00 0.20 C ATOM 497 CG GLU A 29 16.770 7.920 0.322 1.00 0.22 C ATOM 498 CD GLU A 29 16.472 9.273 -0.296 1.00 1.02 C ATOM 499 OE1 GLU A 29 15.283 9.567 -0.538 1.00 1.85 O ATOM 500 OE2 GLU A 29 17.429 10.038 -0.538 1.00 0.95 O ATOM 0 H GLU A 29 16.482 4.719 -1.981 1.00 0.18 H new ATOM 0 HA GLU A 29 18.060 5.398 0.315 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.600 7.021 -1.427 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.871 6.796 -1.254 1.00 0.20 H new ATOM 0 HG2 GLU A 29 16.011 7.691 1.070 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.726 7.965 0.843 1.00 0.22 H new ATOM 507 N ILE A 30 14.830 4.839 0.620 1.00 0.14 N ATOM 508 CA ILE A 30 13.780 4.555 1.584 1.00 0.14 C ATOM 509 C ILE A 30 14.253 3.492 2.560 1.00 0.14 C ATOM 510 O ILE A 30 14.187 3.665 3.775 1.00 0.21 O ATOM 511 CB ILE A 30 12.495 4.064 0.892 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.989 5.112 -0.097 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.426 3.743 1.925 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.829 6.485 0.513 1.00 0.28 C ATOM 0 H ILE A 30 14.543 4.759 -0.356 1.00 0.14 H new ATOM 0 HA ILE A 30 13.556 5.481 2.113 1.00 0.14 H new ATOM 0 HB ILE A 30 12.724 3.153 0.340 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.682 5.174 -0.936 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.030 4.787 -0.500 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.524 3.397 1.420 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.789 2.963 2.594 1.00 0.17 H new ATOM 0 HG23 ILE A 30 11.198 4.639 2.503 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.467 7.180 -0.245 1.00 0.28 H new ATOM 0 HD12 ILE A 30 11.113 6.437 1.334 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.792 6.830 0.891 1.00 0.28 H new ATOM 526 N LYS A 31 14.744 2.393 2.015 1.00 0.15 N ATOM 527 CA LYS A 31 15.243 1.310 2.836 1.00 0.20 C ATOM 528 C LYS A 31 16.452 1.770 3.630 1.00 0.21 C ATOM 529 O LYS A 31 16.701 1.308 4.741 1.00 0.26 O ATOM 530 CB LYS A 31 15.615 0.114 1.972 1.00 0.26 C ATOM 531 CG LYS A 31 14.424 -0.514 1.275 1.00 0.80 C ATOM 532 CD LYS A 31 14.611 -2.010 1.098 1.00 0.82 C ATOM 533 CE LYS A 31 15.883 -2.327 0.328 1.00 0.65 C ATOM 534 NZ LYS A 31 16.036 -3.789 0.090 1.00 1.35 N ATOM 0 H LYS A 31 14.807 2.229 1.010 1.00 0.15 H new ATOM 0 HA LYS A 31 14.456 1.010 3.528 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.342 0.427 1.223 1.00 0.26 H new ATOM 0 HB3 LYS A 31 16.102 -0.638 2.594 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.520 -0.325 1.854 1.00 0.80 H new ATOM 0 HG3 LYS A 31 14.282 -0.046 0.301 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.647 -2.491 2.075 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.752 -2.425 0.570 1.00 0.82 H new ATOM 0 HE2 LYS A 31 15.870 -1.803 -0.628 1.00 0.65 H new ATOM 0 HE3 LYS A 31 16.745 -1.957 0.883 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.915 -3.965 -0.438 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 16.074 -4.287 1.002 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 15.226 -4.138 -0.461 1.00 1.35 H new ATOM 548 N HIS A 32 17.196 2.692 3.045 1.00 0.19 N ATOM 549 CA HIS A 32 18.386 3.229 3.677 1.00 0.23 C ATOM 550 C HIS A 32 18.019 4.067 4.892 1.00 0.23 C ATOM 551 O HIS A 32 18.790 4.179 5.844 1.00 0.29 O ATOM 552 CB HIS A 32 19.150 4.092 2.678 1.00 0.25 C ATOM 553 CG HIS A 32 20.583 4.306 3.044 1.00 0.32 C ATOM 554 ND1 HIS A 32 21.048 5.465 3.625 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.656 3.495 2.907 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.348 5.359 3.832 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.743 4.173 3.405 1.00 0.44 N ATOM 0 H HIS A 32 16.994 3.086 2.126 1.00 0.19 H new ATOM 0 HA HIS A 32 19.011 2.397 4.002 1.00 0.23 H new ATOM 0 HB2 HIS A 32 19.101 3.624 1.695 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.656 5.060 2.595 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.659 2.501 2.485 1.00 0.38 H new ATOM 0 HE1 HIS A 32 22.981 6.114 4.275 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.699 3.818 3.439 1.00 0.44 H new ATOM 566 N ARG A 33 16.837 4.661 4.842 1.00 0.19 N ATOM 567 CA ARG A 33 16.362 5.515 5.918 1.00 0.21 C ATOM 568 C ARG A 33 15.371 4.814 6.839 1.00 0.21 C ATOM 569 O ARG A 33 15.325 5.096 8.036 1.00 0.27 O ATOM 570 CB ARG A 33 15.694 6.749 5.326 1.00 0.24 C ATOM 571 CG ARG A 33 16.633 7.607 4.502 1.00 0.29 C ATOM 572 CD ARG A 33 15.914 8.799 3.888 1.00 0.36 C ATOM 573 NE ARG A 33 15.266 9.638 4.895 1.00 0.47 N ATOM 574 CZ ARG A 33 14.968 10.921 4.710 1.00 0.64 C ATOM 575 NH1 ARG A 33 15.272 11.522 3.566 1.00 1.13 N ATOM 576 NH2 ARG A 33 14.363 11.607 5.670 1.00 0.71 N ATOM 0 H ARG A 33 16.186 4.566 4.063 1.00 0.19 H new ATOM 0 HA ARG A 33 17.232 5.786 6.517 1.00 0.21 H new ATOM 0 HB2 ARG A 33 14.858 6.435 4.701 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.279 7.351 6.134 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.450 7.960 5.131 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.078 7.003 3.711 1.00 0.29 H new ATOM 0 HD2 ARG A 33 16.628 9.399 3.324 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.166 8.443 3.179 1.00 0.36 H new ATOM 0 HE ARG A 33 15.029 9.215 5.792 1.00 0.47 H new ATOM 0 HH11 ARG A 33 15.737 11.000 2.823 1.00 1.13 H new ATOM 0 HH12 ARG A 33 15.041 12.506 3.430 1.00 1.13 H new ATOM 0 HH21 ARG A 33 14.126 11.151 6.551 1.00 0.71 H new ATOM 0 HH22 ARG A 33 14.135 12.591 5.528 1.00 0.71 H new ATOM 590 N PHE A 34 14.579 3.906 6.285 1.00 0.17 N ATOM 591 CA PHE A 34 13.553 3.232 7.073 1.00 0.21 C ATOM 592 C PHE A 34 13.748 1.719 7.157 1.00 0.22 C ATOM 593 O PHE A 34 13.415 1.107 8.172 1.00 0.31 O ATOM 594 CB PHE A 34 12.189 3.565 6.479 1.00 0.23 C ATOM 595 CG PHE A 34 11.968 5.044 6.338 1.00 0.21 C ATOM 596 CD1 PHE A 34 11.411 5.774 7.374 1.00 0.29 C ATOM 597 CD2 PHE A 34 12.299 5.701 5.164 1.00 0.21 C ATOM 598 CE1 PHE A 34 11.190 7.131 7.247 1.00 0.29 C ATOM 599 CE2 PHE A 34 12.083 7.058 5.031 1.00 0.24 C ATOM 600 CZ PHE A 34 11.589 7.785 6.080 1.00 0.23 C ATOM 0 H PHE A 34 14.624 3.621 5.307 1.00 0.17 H new ATOM 0 HA PHE A 34 13.628 3.595 8.098 1.00 0.21 H new ATOM 0 HB2 PHE A 34 12.097 3.092 5.501 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.408 3.143 7.112 1.00 0.23 H new ATOM 0 HD1 PHE A 34 11.146 5.275 8.294 1.00 0.29 H new ATOM 0 HD2 PHE A 34 12.731 5.146 4.344 1.00 0.21 H new ATOM 0 HE1 PHE A 34 10.712 7.682 8.044 1.00 0.29 H new ATOM 0 HE2 PHE A 34 12.305 7.548 4.095 1.00 0.24 H new ATOM 0 HZ PHE A 34 11.508 8.859 6.005 1.00 0.23 H new ATOM 610 N ASP A 35 14.280 1.112 6.107 1.00 0.19 N ATOM 611 CA ASP A 35 14.490 -0.335 6.105 1.00 0.22 C ATOM 612 C ASP A 35 15.952 -0.667 6.344 1.00 0.29 C ATOM 613 O ASP A 35 16.466 -1.668 5.844 1.00 0.34 O ATOM 614 CB ASP A 35 14.031 -0.951 4.787 1.00 0.23 C ATOM 615 CG ASP A 35 13.712 -2.425 4.913 1.00 0.28 C ATOM 616 OD1 ASP A 35 14.569 -3.174 5.426 1.00 0.94 O ATOM 617 OD2 ASP A 35 12.605 -2.831 4.503 1.00 1.10 O ATOM 0 H ASP A 35 14.572 1.588 5.254 1.00 0.19 H new ATOM 0 HA ASP A 35 13.895 -0.757 6.915 1.00 0.22 H new ATOM 0 HB2 ASP A 35 13.148 -0.421 4.431 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.809 -0.814 4.036 1.00 0.23 H new ATOM 622 N THR A 36 16.617 0.187 7.105 1.00 0.31 N ATOM 623 CA THR A 36 18.026 -0.001 7.418 1.00 0.39 C ATOM 624 C THR A 36 18.299 -1.415 7.915 1.00 0.46 C ATOM 625 O THR A 36 19.417 -1.918 7.799 1.00 0.54 O ATOM 626 CB THR A 36 18.500 1.005 8.479 1.00 0.43 C ATOM 627 OG1 THR A 36 17.659 0.934 9.636 1.00 0.47 O ATOM 628 CG2 THR A 36 18.490 2.416 7.917 1.00 0.39 C ATOM 0 H THR A 36 16.202 1.021 7.520 1.00 0.31 H new ATOM 0 HA THR A 36 18.580 0.166 6.494 1.00 0.39 H new ATOM 0 HB THR A 36 19.521 0.751 8.765 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.970 1.577 10.307 1.00 0.47 H new ATOM 0 HG21 THR A 36 18.828 3.115 8.682 1.00 0.39 H new ATOM 0 HG22 THR A 36 19.157 2.470 7.056 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.478 2.678 7.609 1.00 0.39 H new ATOM 636 N ASP A 37 17.275 -2.050 8.469 1.00 0.45 N ATOM 637 CA ASP A 37 17.407 -3.406 8.979 1.00 0.51 C ATOM 638 C ASP A 37 17.346 -4.420 7.843 1.00 0.50 C ATOM 639 O ASP A 37 17.849 -5.537 7.965 1.00 0.58 O ATOM 640 CB ASP A 37 16.306 -3.698 9.999 1.00 0.51 C ATOM 641 CG ASP A 37 16.458 -5.063 10.640 1.00 1.04 C ATOM 642 OD1 ASP A 37 16.027 -6.061 10.023 1.00 1.71 O ATOM 643 OD2 ASP A 37 17.007 -5.136 11.760 1.00 0.98 O ATOM 0 H ASP A 37 16.344 -1.647 8.576 1.00 0.45 H new ATOM 0 HA ASP A 37 18.377 -3.492 9.468 1.00 0.51 H new ATOM 0 HB2 ASP A 37 16.321 -2.932 10.774 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.335 -3.636 9.508 1.00 0.51 H new ATOM 648 N GLY A 38 16.726 -4.019 6.735 1.00 0.43 N ATOM 649 CA GLY A 38 16.606 -4.901 5.591 1.00 0.46 C ATOM 650 C GLY A 38 15.598 -6.004 5.828 1.00 0.42 C ATOM 651 O GLY A 38 15.716 -7.096 5.271 1.00 0.46 O ATOM 0 H GLY A 38 16.305 -3.098 6.611 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.310 -4.322 4.716 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.578 -5.340 5.369 1.00 0.46 H new ATOM 655 N THR A 39 14.604 -5.714 6.656 1.00 0.35 N ATOM 656 CA THR A 39 13.569 -6.686 6.980 1.00 0.33 C ATOM 657 C THR A 39 12.192 -6.232 6.501 1.00 0.30 C ATOM 658 O THR A 39 11.236 -7.008 6.522 1.00 0.41 O ATOM 659 CB THR A 39 13.510 -6.946 8.496 1.00 0.35 C ATOM 660 OG1 THR A 39 12.516 -7.938 8.785 1.00 0.65 O ATOM 661 CG2 THR A 39 13.190 -5.664 9.252 1.00 0.64 C ATOM 0 H THR A 39 14.492 -4.811 7.117 1.00 0.35 H new ATOM 0 HA THR A 39 13.834 -7.607 6.461 1.00 0.33 H new ATOM 0 HB THR A 39 14.487 -7.306 8.820 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.834 -7.933 8.081 1.00 0.65 H new ATOM 0 HG21 THR A 39 13.153 -5.872 10.321 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.963 -4.922 9.053 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.224 -5.279 8.924 1.00 0.64 H new ATOM 669 N GLY A 40 12.088 -4.978 6.072 1.00 0.22 N ATOM 670 CA GLY A 40 10.818 -4.465 5.605 1.00 0.21 C ATOM 671 C GLY A 40 10.428 -3.179 6.300 1.00 0.20 C ATOM 672 O GLY A 40 10.729 -2.986 7.479 1.00 0.32 O ATOM 0 H GLY A 40 12.859 -4.312 6.040 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.871 -4.293 4.530 1.00 0.21 H new ATOM 0 HA3 GLY A 40 10.043 -5.214 5.770 1.00 0.21 H new ATOM 676 N LEU A 41 9.753 -2.301 5.573 1.00 0.12 N ATOM 677 CA LEU A 41 9.327 -1.024 6.120 1.00 0.10 C ATOM 678 C LEU A 41 8.330 -1.208 7.250 1.00 0.10 C ATOM 679 O LEU A 41 7.387 -1.993 7.144 1.00 0.14 O ATOM 680 CB LEU A 41 8.703 -0.159 5.029 1.00 0.10 C ATOM 681 CG LEU A 41 9.693 0.420 4.025 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.684 1.328 4.730 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.413 -0.693 3.290 1.00 0.14 C ATOM 0 H LEU A 41 9.488 -2.452 4.600 1.00 0.12 H new ATOM 0 HA LEU A 41 10.212 -0.528 6.518 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.967 -0.755 4.489 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.164 0.662 5.501 1.00 0.10 H new ATOM 0 HG LEU A 41 9.144 1.012 3.293 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.386 1.735 4.002 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.149 2.145 5.214 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.230 0.757 5.481 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.116 -0.263 2.577 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.955 -1.311 4.006 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.686 -1.307 2.758 1.00 0.14 H new ATOM 695 N GLY A 42 8.547 -0.477 8.333 1.00 0.09 N ATOM 696 CA GLY A 42 7.648 -0.547 9.461 1.00 0.11 C ATOM 697 C GLY A 42 6.426 0.309 9.225 1.00 0.10 C ATOM 698 O GLY A 42 6.393 1.092 8.279 1.00 0.11 O ATOM 0 H GLY A 42 9.332 0.164 8.449 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.347 -1.581 9.628 1.00 0.11 H new ATOM 0 HA3 GLY A 42 8.162 -0.215 10.363 1.00 0.11 H new ATOM 702 N LEU A 43 5.420 0.171 10.071 1.00 0.12 N ATOM 703 CA LEU A 43 4.206 0.951 9.916 1.00 0.12 C ATOM 704 C LEU A 43 4.515 2.440 9.988 1.00 0.11 C ATOM 705 O LEU A 43 4.176 3.202 9.082 1.00 0.12 O ATOM 706 CB LEU A 43 3.184 0.566 10.989 1.00 0.14 C ATOM 707 CG LEU A 43 1.840 1.303 10.918 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.916 2.625 11.662 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.424 1.531 9.471 1.00 0.14 C ATOM 0 H LEU A 43 5.419 -0.468 10.866 1.00 0.12 H new ATOM 0 HA LEU A 43 3.780 0.734 8.936 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.995 -0.505 10.918 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.626 0.747 11.969 1.00 0.14 H new ATOM 0 HG LEU A 43 1.085 0.679 11.397 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.954 3.133 11.600 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.163 2.440 12.708 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.686 3.252 11.213 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.469 2.055 9.445 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.181 2.131 8.965 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.325 0.571 8.965 1.00 0.14 H new ATOM 721 N THR A 44 5.160 2.847 11.073 1.00 0.11 N ATOM 722 CA THR A 44 5.521 4.242 11.270 1.00 0.12 C ATOM 723 C THR A 44 6.644 4.655 10.329 1.00 0.12 C ATOM 724 O THR A 44 6.706 5.801 9.887 1.00 0.16 O ATOM 725 CB THR A 44 5.958 4.512 12.720 1.00 0.15 C ATOM 726 OG1 THR A 44 4.906 4.155 13.625 1.00 0.18 O ATOM 727 CG2 THR A 44 6.320 5.978 12.910 1.00 0.18 C ATOM 0 H THR A 44 5.444 2.228 11.832 1.00 0.11 H new ATOM 0 HA THR A 44 4.631 4.832 11.052 1.00 0.12 H new ATOM 0 HB THR A 44 6.838 3.904 12.930 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.194 4.329 14.546 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.626 6.146 13.943 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.140 6.240 12.241 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.454 6.599 12.683 1.00 0.18 H new ATOM 735 N SER A 45 7.527 3.714 10.021 1.00 0.11 N ATOM 736 CA SER A 45 8.651 3.989 9.138 1.00 0.13 C ATOM 737 C SER A 45 8.163 4.122 7.705 1.00 0.13 C ATOM 738 O SER A 45 8.655 4.953 6.941 1.00 0.19 O ATOM 739 CB SER A 45 9.691 2.875 9.238 1.00 0.17 C ATOM 740 OG SER A 45 9.849 2.442 10.579 1.00 0.31 O ATOM 0 H SER A 45 7.486 2.756 10.369 1.00 0.11 H new ATOM 0 HA SER A 45 9.116 4.926 9.444 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.388 2.034 8.614 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.647 3.230 8.852 1.00 0.17 H new ATOM 0 HG SER A 45 10.519 1.728 10.615 1.00 0.31 H new ATOM 746 N TRP A 46 7.190 3.294 7.354 1.00 0.10 N ATOM 747 CA TRP A 46 6.613 3.313 6.024 1.00 0.09 C ATOM 748 C TRP A 46 5.887 4.627 5.791 1.00 0.08 C ATOM 749 O TRP A 46 6.007 5.242 4.731 1.00 0.10 O ATOM 750 CB TRP A 46 5.646 2.145 5.863 1.00 0.09 C ATOM 751 CG TRP A 46 5.114 2.009 4.476 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.465 1.067 3.558 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.141 2.846 3.843 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.770 1.264 2.394 1.00 0.12 N ATOM 755 CE2 TRP A 46 3.951 2.348 2.542 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.411 3.966 4.248 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.063 2.926 1.644 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.528 4.542 3.354 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.361 4.020 2.065 1.00 0.09 C ATOM 0 H TRP A 46 6.783 2.597 7.979 1.00 0.10 H new ATOM 0 HA TRP A 46 7.411 3.217 5.288 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.152 1.221 6.143 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.813 2.274 6.554 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.186 0.280 3.723 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.851 0.693 1.552 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.534 4.374 5.240 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 2.932 2.525 0.650 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.958 5.409 3.654 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.663 4.492 1.390 1.00 0.09 H new ATOM 770 N LEU A 47 5.130 5.049 6.797 1.00 0.08 N ATOM 771 CA LEU A 47 4.386 6.295 6.725 1.00 0.08 C ATOM 772 C LEU A 47 5.345 7.462 6.546 1.00 0.08 C ATOM 773 O LEU A 47 5.095 8.375 5.761 1.00 0.11 O ATOM 774 CB LEU A 47 3.551 6.481 7.993 1.00 0.09 C ATOM 775 CG LEU A 47 2.383 5.503 8.148 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.802 5.587 9.548 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.309 5.789 7.109 1.00 0.62 C ATOM 0 H LEU A 47 5.017 4.542 7.675 1.00 0.08 H new ATOM 0 HA LEU A 47 3.714 6.260 5.868 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.206 6.382 8.859 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.158 7.498 8.005 1.00 0.09 H new ATOM 0 HG LEU A 47 2.757 4.491 7.990 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.973 4.885 9.641 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.572 5.337 10.277 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.443 6.599 9.733 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.486 5.085 7.233 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.939 6.806 7.239 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.731 5.681 6.110 1.00 0.62 H new ATOM 789 N LEU A 48 6.448 7.417 7.283 1.00 0.08 N ATOM 790 CA LEU A 48 7.468 8.451 7.208 1.00 0.10 C ATOM 791 C LEU A 48 8.193 8.382 5.872 1.00 0.10 C ATOM 792 O LEU A 48 8.699 9.386 5.371 1.00 0.11 O ATOM 793 CB LEU A 48 8.463 8.281 8.354 1.00 0.12 C ATOM 794 CG LEU A 48 7.879 8.503 9.748 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.832 7.999 10.820 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.567 9.974 9.959 1.00 0.17 C ATOM 0 H LEU A 48 6.658 6.669 7.944 1.00 0.08 H new ATOM 0 HA LEU A 48 6.988 9.426 7.293 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.882 7.276 8.307 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.288 8.977 8.206 1.00 0.12 H new ATOM 0 HG LEU A 48 6.952 7.935 9.827 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.395 8.168 11.804 1.00 0.17 H new ATOM 0 HD12 LEU A 48 9.007 6.932 10.679 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.778 8.535 10.747 1.00 0.17 H new ATOM 0 HD21 LEU A 48 7.151 10.118 10.956 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.482 10.558 9.859 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.843 10.303 9.213 1.00 0.17 H new ATOM 808 N ALA A 49 8.236 7.184 5.301 1.00 0.10 N ATOM 809 CA ALA A 49 8.887 6.972 4.019 1.00 0.11 C ATOM 810 C ALA A 49 8.143 7.713 2.918 1.00 0.11 C ATOM 811 O ALA A 49 8.749 8.231 1.980 1.00 0.15 O ATOM 812 CB ALA A 49 8.960 5.485 3.707 1.00 0.11 C ATOM 0 H ALA A 49 7.826 6.344 5.709 1.00 0.10 H new ATOM 0 HA ALA A 49 9.902 7.366 4.072 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.450 5.339 2.744 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.530 4.978 4.485 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.952 5.072 3.668 1.00 0.11 H new ATOM 818 N ALA A 50 6.820 7.759 3.044 1.00 0.08 N ATOM 819 CA ALA A 50 5.981 8.444 2.073 1.00 0.08 C ATOM 820 C ALA A 50 6.134 9.949 2.208 1.00 0.10 C ATOM 821 O ALA A 50 6.215 10.670 1.214 1.00 0.13 O ATOM 822 CB ALA A 50 4.526 8.042 2.254 1.00 0.10 C ATOM 0 H ALA A 50 6.307 7.328 3.813 1.00 0.08 H new ATOM 0 HA ALA A 50 6.300 8.152 1.073 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.911 8.563 1.520 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.426 6.966 2.113 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.197 8.309 3.258 1.00 0.10 H new ATOM 828 N LYS A 51 6.172 10.417 3.449 1.00 0.09 N ATOM 829 CA LYS A 51 6.325 11.837 3.720 1.00 0.11 C ATOM 830 C LYS A 51 7.661 12.327 3.184 1.00 0.13 C ATOM 831 O LYS A 51 7.760 13.425 2.637 1.00 0.15 O ATOM 832 CB LYS A 51 6.230 12.109 5.220 1.00 0.14 C ATOM 833 CG LYS A 51 4.937 11.616 5.846 1.00 0.14 C ATOM 834 CD LYS A 51 4.850 11.993 7.316 1.00 0.21 C ATOM 835 CE LYS A 51 3.678 11.309 8.003 1.00 0.61 C ATOM 836 NZ LYS A 51 3.584 11.677 9.443 1.00 1.40 N ATOM 0 H LYS A 51 6.099 9.833 4.282 1.00 0.09 H new ATOM 0 HA LYS A 51 5.521 12.376 3.219 1.00 0.11 H new ATOM 0 HB2 LYS A 51 7.072 11.632 5.721 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.322 13.181 5.393 1.00 0.14 H new ATOM 0 HG2 LYS A 51 4.088 12.039 5.310 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.871 10.533 5.743 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.777 11.718 7.818 1.00 0.21 H new ATOM 0 HD3 LYS A 51 4.746 13.074 7.409 1.00 0.21 H new ATOM 0 HE2 LYS A 51 2.752 11.582 7.498 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.784 10.228 7.911 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 2.772 11.190 9.874 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 4.457 11.393 9.932 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 3.457 12.705 9.531 1.00 1.40 H new ATOM 850 N SER A 52 8.688 11.499 3.347 1.00 0.12 N ATOM 851 CA SER A 52 10.018 11.842 2.864 1.00 0.15 C ATOM 852 C SER A 52 9.965 12.147 1.372 1.00 0.14 C ATOM 853 O SER A 52 10.775 12.914 0.851 1.00 0.16 O ATOM 854 CB SER A 52 10.996 10.696 3.132 1.00 0.17 C ATOM 855 OG SER A 52 11.116 10.440 4.520 1.00 1.23 O ATOM 0 H SER A 52 8.624 10.591 3.807 1.00 0.12 H new ATOM 0 HA SER A 52 10.367 12.727 3.397 1.00 0.15 H new ATOM 0 HB2 SER A 52 10.654 9.796 2.622 1.00 0.17 H new ATOM 0 HB3 SER A 52 11.974 10.945 2.719 1.00 0.17 H new ATOM 0 HG SER A 52 10.275 10.066 4.858 1.00 1.23 H new ATOM 861 N LEU A 53 8.999 11.536 0.692 1.00 0.12 N ATOM 862 CA LEU A 53 8.815 11.740 -0.737 1.00 0.12 C ATOM 863 C LEU A 53 7.886 12.921 -1.004 1.00 0.12 C ATOM 864 O LEU A 53 7.455 13.132 -2.135 1.00 0.15 O ATOM 865 CB LEU A 53 8.214 10.485 -1.369 1.00 0.13 C ATOM 866 CG LEU A 53 8.989 9.193 -1.120 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.242 8.010 -1.710 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.387 9.294 -1.706 1.00 0.14 C ATOM 0 H LEU A 53 8.329 10.892 1.113 1.00 0.12 H new ATOM 0 HA LEU A 53 9.791 11.949 -1.176 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.199 10.359 -0.992 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.137 10.641 -2.445 1.00 0.13 H new ATOM 0 HG LEU A 53 9.080 9.040 -0.045 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.805 7.095 -1.526 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.260 7.931 -1.245 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.124 8.153 -2.784 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.927 8.366 -1.521 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.320 9.466 -2.780 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.919 10.123 -1.238 1.00 0.14 H new ATOM 880 N GLU A 54 7.586 13.698 0.031 1.00 0.12 N ATOM 881 CA GLU A 54 6.674 14.824 -0.108 1.00 0.13 C ATOM 882 C GLU A 54 5.266 14.315 -0.419 1.00 0.11 C ATOM 883 O GLU A 54 4.420 15.059 -0.915 1.00 0.13 O ATOM 884 CB GLU A 54 7.150 15.770 -1.211 1.00 0.17 C ATOM 885 CG GLU A 54 8.588 16.220 -1.038 1.00 0.23 C ATOM 886 CD GLU A 54 9.057 17.122 -2.162 1.00 0.63 C ATOM 887 OE1 GLU A 54 8.742 18.330 -2.124 1.00 0.59 O ATOM 888 OE2 GLU A 54 9.738 16.621 -3.080 1.00 1.14 O ATOM 0 H GLU A 54 7.960 13.569 0.971 1.00 0.12 H new ATOM 0 HA GLU A 54 6.655 15.377 0.831 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.046 15.273 -2.176 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.503 16.647 -1.232 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.688 16.747 -0.089 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.235 15.344 -0.986 1.00 0.23 H new ATOM 895 N LEU A 55 5.029 13.037 -0.118 1.00 0.11 N ATOM 896 CA LEU A 55 3.742 12.407 -0.356 1.00 0.13 C ATOM 897 C LEU A 55 2.959 12.305 0.948 1.00 0.17 C ATOM 898 O LEU A 55 3.497 11.885 1.972 1.00 0.33 O ATOM 899 CB LEU A 55 3.962 11.015 -0.952 1.00 0.20 C ATOM 900 CG LEU A 55 2.720 10.132 -1.034 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.784 10.627 -2.126 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.117 8.683 -1.280 1.00 0.72 C ATOM 0 H LEU A 55 5.725 12.417 0.296 1.00 0.11 H new ATOM 0 HA LEU A 55 3.167 13.012 -1.057 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.372 11.129 -1.955 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.715 10.499 -0.357 1.00 0.20 H new ATOM 0 HG LEU A 55 2.191 10.187 -0.083 1.00 0.38 H new ATOM 0 HD11 LEU A 55 0.904 9.985 -2.170 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.477 11.649 -1.906 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.299 10.602 -3.086 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.221 8.065 -1.336 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.667 8.611 -2.218 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.747 8.335 -0.462 1.00 0.72 H new ATOM 914 N LYS A 56 1.689 12.690 0.908 1.00 0.15 N ATOM 915 CA LYS A 56 0.850 12.649 2.096 1.00 0.16 C ATOM 916 C LYS A 56 0.378 11.230 2.385 1.00 0.16 C ATOM 917 O LYS A 56 -0.045 10.506 1.485 1.00 0.20 O ATOM 918 CB LYS A 56 -0.352 13.582 1.935 1.00 0.18 C ATOM 919 CG LYS A 56 -1.182 13.727 3.200 1.00 0.61 C ATOM 920 CD LYS A 56 -2.329 14.706 3.006 1.00 0.62 C ATOM 921 CE LYS A 56 -1.820 16.116 2.746 1.00 1.18 C ATOM 922 NZ LYS A 56 -1.063 16.658 3.908 1.00 1.86 N ATOM 0 H LYS A 56 1.221 13.032 0.069 1.00 0.15 H new ATOM 0 HA LYS A 56 1.449 12.988 2.941 1.00 0.16 H new ATOM 0 HB2 LYS A 56 0.001 14.566 1.627 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -0.988 13.206 1.134 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.578 12.754 3.490 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.546 14.068 4.017 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -2.948 14.382 2.170 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -2.964 14.705 3.892 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -1.179 16.113 1.865 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -2.663 16.771 2.525 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -0.939 17.684 3.794 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -1.590 16.468 4.784 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -0.130 16.201 3.959 1.00 1.86 H new ATOM 936 N VAL A 57 0.465 10.839 3.648 1.00 0.14 N ATOM 937 CA VAL A 57 0.043 9.513 4.076 1.00 0.14 C ATOM 938 C VAL A 57 -0.394 9.537 5.533 1.00 0.15 C ATOM 939 O VAL A 57 0.004 10.420 6.291 1.00 0.15 O ATOM 940 CB VAL A 57 1.167 8.474 3.897 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.634 8.438 2.452 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.330 8.770 4.833 1.00 0.13 C ATOM 0 H VAL A 57 0.827 11.426 4.399 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.798 9.223 3.447 1.00 0.14 H new ATOM 0 HB VAL A 57 0.769 7.492 4.153 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.428 7.699 2.344 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.798 8.169 1.806 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.012 9.420 2.167 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.112 8.024 4.689 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.729 9.761 4.615 1.00 0.13 H new ATOM 0 HG23 VAL A 57 1.983 8.738 5.866 1.00 0.13 H new ATOM 952 N LYS A 58 -1.212 8.567 5.926 1.00 0.17 N ATOM 953 CA LYS A 58 -1.693 8.510 7.298 1.00 0.20 C ATOM 954 C LYS A 58 -2.418 7.202 7.589 1.00 0.16 C ATOM 955 O LYS A 58 -3.437 6.892 6.970 1.00 0.18 O ATOM 956 CB LYS A 58 -2.629 9.686 7.571 1.00 0.26 C ATOM 957 CG LYS A 58 -3.173 9.712 8.989 1.00 0.63 C ATOM 958 CD LYS A 58 -2.062 9.888 10.011 1.00 1.21 C ATOM 959 CE LYS A 58 -1.316 11.197 9.806 1.00 1.69 C ATOM 960 NZ LYS A 58 -0.218 11.370 10.797 1.00 2.33 N ATOM 0 H LYS A 58 -1.552 7.819 5.321 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.825 8.567 7.955 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -2.096 10.617 7.378 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.464 9.646 6.871 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.892 10.525 9.089 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -3.710 8.785 9.190 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -2.484 9.862 11.016 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -1.363 9.055 9.937 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -0.903 11.226 8.798 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -2.014 12.030 9.888 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 0.266 12.274 10.624 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -0.615 11.368 11.758 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 0.462 10.589 10.701 1.00 2.33 H new ATOM 974 N GLN A 59 -1.885 6.441 8.536 1.00 0.15 N ATOM 975 CA GLN A 59 -2.487 5.180 8.931 1.00 0.13 C ATOM 976 C GLN A 59 -3.570 5.429 9.969 1.00 0.13 C ATOM 977 O GLN A 59 -3.330 6.082 10.983 1.00 0.16 O ATOM 978 CB GLN A 59 -1.428 4.237 9.497 1.00 0.16 C ATOM 979 CG GLN A 59 -1.965 2.853 9.825 1.00 0.20 C ATOM 980 CD GLN A 59 -1.918 2.524 11.307 1.00 0.44 C ATOM 981 OE1 GLN A 59 -2.140 3.524 12.153 1.00 1.13 O flip ATOM 982 NE2 GLN A 59 -1.700 1.375 11.688 1.00 0.36 N flip ATOM 0 H GLN A 59 -1.034 6.679 9.045 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.932 4.714 8.052 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.615 4.142 8.777 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -1.005 4.678 10.400 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -2.995 2.779 9.476 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.388 2.108 9.276 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -1.534 0.635 11.006 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -1.685 1.163 12.686 1.00 0.36 H new ATOM 991 N VAL A 60 -4.760 4.909 9.714 1.00 0.13 N ATOM 992 CA VAL A 60 -5.874 5.098 10.631 1.00 0.16 C ATOM 993 C VAL A 60 -6.762 3.866 10.682 1.00 0.15 C ATOM 994 O VAL A 60 -6.756 3.042 9.768 1.00 0.18 O ATOM 995 CB VAL A 60 -6.728 6.313 10.225 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.256 6.140 8.810 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.871 6.521 11.207 1.00 0.23 C ATOM 0 H VAL A 60 -4.979 4.356 8.885 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.445 5.272 11.618 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.097 7.202 10.250 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.858 7.007 8.538 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.419 6.047 8.118 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.870 5.241 8.758 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.461 7.385 10.901 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.505 5.634 11.220 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.467 6.693 12.205 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.527 3.749 11.758 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.428 2.623 11.928 1.00 0.20 C ATOM 1009 C LYS A 61 -9.785 2.937 11.319 1.00 0.21 C ATOM 1010 O LYS A 61 -10.554 3.732 11.860 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.583 2.287 13.409 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.445 1.064 13.663 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.561 0.762 15.149 1.00 0.37 C ATOM 1014 CE LYS A 61 -10.169 1.927 15.912 1.00 1.05 C ATOM 1015 NZ LYS A 61 -10.281 1.641 17.368 1.00 2.03 N ATOM 0 H LYS A 61 -7.540 4.421 12.525 1.00 0.19 H new ATOM 0 HA LYS A 61 -8.004 1.759 11.415 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.596 2.123 13.842 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -9.019 3.143 13.924 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -10.439 1.225 13.245 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -9.018 0.203 13.148 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -10.174 -0.127 15.293 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -8.574 0.537 15.553 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -9.557 2.817 15.763 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -11.157 2.148 15.509 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -10.700 2.461 17.852 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -10.886 0.807 17.513 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -9.335 1.455 17.759 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.071 2.305 10.191 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.332 2.516 9.498 1.00 0.22 C ATOM 1031 C LYS A 62 -12.032 1.194 9.231 1.00 0.23 C ATOM 1032 O LYS A 62 -11.389 0.173 8.994 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.092 3.240 8.175 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.456 4.609 8.335 1.00 0.30 C ATOM 1035 CD LYS A 62 -11.417 5.597 8.976 1.00 0.50 C ATOM 1036 CE LYS A 62 -10.845 7.005 8.984 1.00 0.75 C ATOM 1037 NZ LYS A 62 -10.544 7.489 7.608 1.00 1.04 N ATOM 0 H LYS A 62 -9.445 1.641 9.736 1.00 0.20 H new ATOM 0 HA LYS A 62 -11.969 3.127 10.137 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.452 2.623 7.544 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.043 3.350 7.653 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.557 4.525 8.946 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -10.144 4.983 7.360 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -12.363 5.590 8.434 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -11.633 5.285 9.998 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -11.554 7.682 9.460 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -9.934 7.024 9.583 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -10.919 8.452 7.489 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -9.515 7.498 7.461 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -10.988 6.856 6.912 1.00 1.04 H new ATOM 1051 N THR A 63 -13.356 1.222 9.272 1.00 0.17 N ATOM 1052 CA THR A 63 -14.144 0.030 9.024 1.00 0.15 C ATOM 1053 C THR A 63 -14.324 -0.192 7.531 1.00 0.13 C ATOM 1054 O THR A 63 -14.374 0.761 6.753 1.00 0.15 O ATOM 1055 CB THR A 63 -15.526 0.110 9.695 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.257 1.228 9.179 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.384 0.240 11.204 1.00 0.24 C ATOM 0 H THR A 63 -13.904 2.058 9.475 1.00 0.17 H new ATOM 0 HA THR A 63 -13.598 -0.809 9.456 1.00 0.15 H new ATOM 0 HB THR A 63 -16.069 -0.809 9.474 1.00 0.20 H new ATOM 0 HG1 THR A 63 -16.647 0.992 8.311 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.373 0.295 11.659 1.00 0.24 H new ATOM 0 HG22 THR A 63 -14.852 -0.627 11.595 1.00 0.24 H new ATOM 0 HG23 THR A 63 -14.825 1.145 11.440 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.420 -1.451 7.135 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.586 -1.805 5.733 1.00 0.13 C ATOM 1067 C ILE A 64 -15.631 -0.928 5.049 1.00 0.17 C ATOM 1068 O ILE A 64 -15.422 -0.444 3.936 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.994 -3.278 5.595 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.954 -4.174 6.264 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -15.166 -3.652 4.135 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.172 -5.647 6.008 1.00 0.20 C ATOM 0 H ILE A 64 -14.386 -2.250 7.768 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.625 -1.642 5.245 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.952 -3.423 6.094 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.962 -3.894 5.908 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.969 -3.994 7.339 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.455 -4.700 4.060 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.941 -3.029 3.689 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -14.226 -3.496 3.606 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.397 -6.223 6.513 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -15.150 -5.942 6.390 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -14.127 -5.841 4.936 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.749 -0.718 5.731 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.834 0.092 5.191 1.00 0.26 C ATOM 1086 C ASP A 65 -17.376 1.523 4.921 1.00 0.24 C ATOM 1087 O ASP A 65 -18.006 2.249 4.150 1.00 0.27 O ATOM 1088 CB ASP A 65 -19.022 0.095 6.154 1.00 0.33 C ATOM 1089 CG ASP A 65 -19.624 -1.284 6.334 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -19.148 -2.029 7.215 1.00 2.08 O ATOM 1091 OD2 ASP A 65 -20.571 -1.619 5.592 1.00 1.99 O ATOM 0 H ASP A 65 -16.929 -1.098 6.660 1.00 0.21 H new ATOM 0 HA ASP A 65 -18.142 -0.350 4.243 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -18.700 0.477 7.123 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -19.787 0.776 5.781 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.281 1.929 5.559 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.747 3.274 5.378 1.00 0.20 C ATOM 1098 C ARG A 66 -14.776 3.321 4.205 1.00 0.15 C ATOM 1099 O ARG A 66 -14.642 4.346 3.539 1.00 0.14 O ATOM 1100 CB ARG A 66 -15.042 3.746 6.650 1.00 0.24 C ATOM 1101 CG ARG A 66 -15.982 3.990 7.818 1.00 0.71 C ATOM 1102 CD ARG A 66 -17.008 5.066 7.497 1.00 0.66 C ATOM 1103 NE ARG A 66 -16.382 6.356 7.212 1.00 1.54 N ATOM 1104 CZ ARG A 66 -17.061 7.441 6.853 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -18.380 7.387 6.727 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -16.422 8.579 6.617 1.00 2.72 N ATOM 0 H ARG A 66 -15.748 1.346 6.204 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.584 3.940 5.165 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -14.301 3.001 6.941 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.500 4.667 6.433 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.495 3.062 8.073 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -15.405 4.287 8.694 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -17.603 4.755 6.638 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.694 5.174 8.337 1.00 0.66 H new ATOM 0 HE ARG A 66 -15.368 6.428 7.293 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -18.874 6.513 6.906 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -18.901 8.220 6.452 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -15.407 8.623 6.711 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -16.945 9.410 6.342 1.00 2.72 H new ATOM 1120 N LEU A 67 -14.106 2.203 3.958 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.143 2.111 2.868 1.00 0.11 C ATOM 1122 C LEU A 67 -13.754 2.563 1.551 1.00 0.13 C ATOM 1123 O LEU A 67 -13.043 2.951 0.625 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.632 0.680 2.745 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.377 0.369 3.564 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.462 0.986 4.954 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.177 -1.131 3.665 1.00 0.15 C ATOM 0 H LEU A 67 -14.212 1.345 4.499 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.309 2.774 3.096 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.426 -0.001 3.052 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.423 0.474 1.695 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.520 0.808 3.053 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.557 0.749 5.513 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.561 2.068 4.866 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.329 0.583 5.478 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.281 -1.340 4.250 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.042 -1.581 4.152 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -11.064 -1.551 2.666 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.072 2.502 1.468 1.00 0.15 N ATOM 1140 CA ASN A 68 -15.771 2.919 0.266 1.00 0.19 C ATOM 1141 C ASN A 68 -15.755 4.443 0.129 1.00 0.19 C ATOM 1142 O ASN A 68 -16.051 4.980 -0.938 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.214 2.413 0.303 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.900 2.499 -1.045 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -17.573 3.350 -1.872 1.00 1.69 O ATOM 1146 ND2 ASN A 68 -18.863 1.615 -1.272 1.00 0.83 N ATOM 0 H ASN A 68 -15.678 2.168 2.217 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.260 2.492 -0.597 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -17.223 1.378 0.645 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -17.780 2.994 1.031 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -19.364 1.624 -2.160 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -19.102 0.927 -0.558 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.401 5.140 1.211 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.370 6.599 1.195 1.00 0.18 C ATOM 1155 C PHE A 69 -13.982 7.154 1.521 1.00 0.15 C ATOM 1156 O PHE A 69 -13.763 8.363 1.437 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.391 7.148 2.192 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.725 6.462 2.114 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.665 6.863 1.179 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -18.040 5.424 2.975 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.895 6.240 1.104 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.269 4.797 2.903 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.186 5.183 1.972 1.00 0.34 C ATOM 0 H PHE A 69 -15.134 4.719 2.101 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.622 6.920 0.184 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -15.995 7.043 3.202 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.527 8.214 2.012 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.433 7.672 0.501 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.318 5.101 3.710 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.627 6.567 0.380 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.504 3.996 3.589 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.136 4.673 1.905 1.00 0.34 H new ATOM 1173 N ILE A 70 -13.044 6.283 1.892 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.696 6.734 2.227 1.00 0.11 C ATOM 1175 C ILE A 70 -10.914 7.106 0.977 1.00 0.12 C ATOM 1176 O ILE A 70 -11.376 6.901 -0.145 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.903 5.675 3.018 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.668 4.432 2.164 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.628 5.317 4.307 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.936 3.328 2.894 1.00 0.15 C ATOM 0 H ILE A 70 -13.190 5.276 1.967 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.820 7.614 2.858 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.932 6.096 3.280 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.629 4.052 1.817 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.097 4.712 1.279 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -11.053 4.568 4.852 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.737 6.210 4.923 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.614 4.916 4.071 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.804 2.476 2.227 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -8.960 3.690 3.218 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.516 3.021 3.764 1.00 0.15 H new ATOM 1192 N SER A 71 -9.723 7.653 1.183 1.00 0.12 N ATOM 1193 CA SER A 71 -8.871 8.073 0.080 1.00 0.14 C ATOM 1194 C SER A 71 -8.237 6.877 -0.623 1.00 0.13 C ATOM 1195 O SER A 71 -7.190 6.382 -0.208 1.00 0.15 O ATOM 1196 CB SER A 71 -7.783 9.016 0.588 1.00 0.17 C ATOM 1197 OG SER A 71 -8.346 10.180 1.169 1.00 1.14 O ATOM 0 H SER A 71 -9.325 7.816 2.108 1.00 0.12 H new ATOM 0 HA SER A 71 -9.495 8.596 -0.644 1.00 0.14 H new ATOM 0 HB2 SER A 71 -7.166 8.501 1.324 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.128 9.298 -0.236 1.00 0.17 H new ATOM 0 HG SER A 71 -7.628 10.766 1.488 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.882 6.422 -1.690 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.382 5.298 -2.471 1.00 0.12 C ATOM 1205 C LEU A 72 -7.506 5.808 -3.620 1.00 0.13 C ATOM 1206 O LEU A 72 -7.713 6.917 -4.113 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.548 4.471 -3.023 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.674 3.054 -2.456 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.689 3.080 -0.936 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -10.931 2.380 -2.986 1.00 0.16 C ATOM 0 H LEU A 72 -9.757 6.817 -2.035 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.781 4.661 -1.823 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.477 5.007 -2.826 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.443 4.403 -4.106 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.806 2.479 -2.780 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.779 2.063 -0.556 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.763 3.523 -0.571 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.536 3.673 -0.591 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.006 1.374 -2.574 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.806 2.959 -2.691 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -10.883 2.324 -4.073 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.513 5.014 -4.065 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.229 3.687 -3.512 1.00 0.11 C ATOM 1224 C PRO A 73 -5.561 3.767 -2.147 1.00 0.10 C ATOM 1225 O PRO A 73 -4.591 4.503 -1.961 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.280 3.077 -4.542 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.577 4.244 -5.137 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.577 5.369 -5.146 1.00 0.14 C ATOM 0 HA PRO A 73 -7.135 3.103 -3.350 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.578 2.387 -4.075 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.825 2.514 -5.299 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.696 4.509 -4.552 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.233 4.019 -6.147 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.099 6.331 -4.962 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.086 5.445 -6.107 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.083 3.005 -1.197 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.545 2.995 0.155 1.00 0.09 C ATOM 1238 C ALA A 74 -4.704 1.750 0.402 1.00 0.08 C ATOM 1239 O ALA A 74 -4.906 0.718 -0.237 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.675 3.082 1.168 1.00 0.09 C ATOM 0 H ALA A 74 -6.880 2.384 -1.338 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.898 3.864 0.271 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.261 3.074 2.176 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.233 4.005 1.012 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.342 2.229 1.043 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.758 1.851 1.329 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.890 0.727 1.651 1.00 0.07 C ATOM 1248 C LEU A 75 -3.298 0.077 2.966 1.00 0.07 C ATOM 1249 O LEU A 75 -3.101 0.647 4.038 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.435 1.185 1.740 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.464 0.139 2.290 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.288 -1.002 1.301 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.876 0.778 2.616 1.00 0.09 C ATOM 0 H LEU A 75 -3.574 2.697 1.868 1.00 0.07 H new ATOM 0 HA LEU A 75 -2.991 -0.008 0.852 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.101 1.482 0.746 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.386 2.072 2.371 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.883 -0.270 3.209 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.406 -1.735 1.711 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.252 -1.477 1.119 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.108 -0.613 0.363 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.555 0.020 3.006 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.300 1.215 1.712 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.735 1.558 3.364 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.856 -1.120 2.877 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.278 -1.848 4.062 1.00 0.07 C ATOM 1267 C VAL A 76 -3.075 -2.475 4.755 1.00 0.07 C ATOM 1268 O VAL A 76 -2.617 -3.552 4.374 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.297 -2.948 3.714 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.733 -3.870 2.649 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.687 -3.731 4.958 1.00 0.10 C ATOM 0 H VAL A 76 -4.027 -1.607 1.997 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.756 -1.133 4.732 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.196 -2.476 3.318 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.464 -4.643 2.413 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.510 -3.295 1.751 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.819 -4.336 3.018 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.408 -4.504 4.691 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.800 -4.196 5.388 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.133 -3.056 5.688 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.567 -1.795 5.772 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.412 -2.284 6.506 1.00 0.08 C ATOM 1283 C TRP A 77 -1.676 -3.665 7.090 1.00 0.09 C ATOM 1284 O TRP A 77 -2.746 -3.927 7.639 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.039 -1.313 7.622 1.00 0.10 C ATOM 1286 CG TRP A 77 0.317 -1.576 8.193 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.603 -2.110 9.414 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.575 -1.321 7.559 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.962 -2.198 9.582 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.581 -1.720 8.457 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.947 -0.795 6.321 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.936 -1.607 8.157 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.292 -0.683 6.022 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.272 -1.088 6.937 1.00 0.12 C ATOM 0 H TRP A 77 -2.936 -0.905 6.106 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.581 -2.360 5.805 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.074 -0.294 7.237 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.782 -1.379 8.417 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.132 -2.419 10.142 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.435 -2.560 10.410 1.00 0.11 H new ATOM 0 HE3 TRP A 77 1.198 -0.481 5.609 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.693 -1.918 8.861 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.592 -0.277 5.067 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.315 -0.988 6.674 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.690 -4.543 6.966 1.00 0.10 N ATOM 1306 CA ARG A 78 -0.804 -5.896 7.484 1.00 0.13 C ATOM 1307 C ARG A 78 0.384 -6.233 8.370 1.00 0.15 C ATOM 1308 O ARG A 78 1.524 -6.282 7.911 1.00 0.17 O ATOM 1309 CB ARG A 78 -0.907 -6.895 6.334 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.260 -6.880 5.642 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.290 -7.675 6.423 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.947 -9.094 6.490 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.611 -9.980 7.225 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.637 -9.592 7.968 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -3.244 -11.254 7.219 1.00 0.38 N ATOM 0 H ARG A 78 0.199 -4.340 6.510 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.710 -5.959 8.086 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.130 -6.676 5.602 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.713 -7.898 6.715 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.601 -5.851 5.529 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.162 -7.295 4.639 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.370 -7.273 7.433 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.268 -7.560 5.956 1.00 0.30 H new ATOM 0 HE ARG A 78 -2.153 -9.423 5.941 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.919 -8.612 7.977 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -5.145 -10.274 8.531 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -2.452 -11.554 6.650 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.753 -11.934 7.783 1.00 0.38 H new ATOM 1329 N GLU A 79 0.104 -6.468 9.643 1.00 0.17 N ATOM 1330 CA GLU A 79 1.143 -6.799 10.607 1.00 0.20 C ATOM 1331 C GLU A 79 1.894 -8.059 10.191 1.00 0.23 C ATOM 1332 O GLU A 79 3.017 -8.296 10.635 1.00 0.28 O ATOM 1333 CB GLU A 79 0.533 -6.991 11.994 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.159 -5.749 12.527 1.00 0.28 C ATOM 1335 CD GLU A 79 -0.633 -5.914 13.958 1.00 0.86 C ATOM 1336 OE1 GLU A 79 -1.758 -6.419 14.155 1.00 1.75 O ATOM 1337 OE2 GLU A 79 0.121 -5.539 14.881 1.00 1.13 O ATOM 0 H GLU A 79 -0.838 -6.435 10.034 1.00 0.17 H new ATOM 0 HA GLU A 79 1.852 -5.971 10.638 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.185 -7.810 11.956 1.00 0.21 H new ATOM 0 HB3 GLU A 79 1.318 -7.287 12.690 1.00 0.21 H new ATOM 0 HG2 GLU A 79 0.526 -4.903 12.470 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -1.012 -5.511 11.891 1.00 0.28 H new ATOM 1344 N ASP A 80 1.270 -8.864 9.337 1.00 0.24 N ATOM 1345 CA ASP A 80 1.888 -10.095 8.866 1.00 0.32 C ATOM 1346 C ASP A 80 2.868 -9.826 7.723 1.00 0.35 C ATOM 1347 O ASP A 80 3.468 -10.754 7.183 1.00 0.45 O ATOM 1348 CB ASP A 80 0.816 -11.086 8.410 1.00 0.34 C ATOM 1349 CG ASP A 80 -0.155 -11.440 9.520 1.00 1.29 C ATOM 1350 OD1 ASP A 80 0.125 -12.398 10.271 1.00 1.86 O ATOM 1351 OD2 ASP A 80 -1.193 -10.758 9.640 1.00 2.00 O ATOM 0 H ASP A 80 0.340 -8.685 8.959 1.00 0.24 H new ATOM 0 HA ASP A 80 2.446 -10.525 9.697 1.00 0.32 H new ATOM 0 HB2 ASP A 80 0.265 -10.660 7.571 1.00 0.34 H new ATOM 0 HB3 ASP A 80 1.296 -11.995 8.048 1.00 0.34 H new ATOM 1356 N GLY A 81 3.030 -8.554 7.355 1.00 0.32 N ATOM 1357 CA GLY A 81 3.939 -8.210 6.280 1.00 0.40 C ATOM 1358 C GLY A 81 3.387 -8.581 4.919 1.00 0.45 C ATOM 1359 O GLY A 81 4.137 -8.724 3.954 1.00 0.82 O ATOM 0 H GLY A 81 2.549 -7.762 7.782 1.00 0.32 H new ATOM 0 HA2 GLY A 81 4.142 -7.139 6.308 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.890 -8.719 6.435 1.00 0.40 H new ATOM 1363 N ARG A 82 2.070 -8.743 4.847 1.00 0.18 N ATOM 1364 CA ARG A 82 1.400 -9.096 3.604 1.00 0.18 C ATOM 1365 C ARG A 82 0.312 -8.079 3.301 1.00 0.14 C ATOM 1366 O ARG A 82 -0.874 -8.408 3.284 1.00 0.17 O ATOM 1367 CB ARG A 82 0.791 -10.490 3.718 1.00 0.22 C ATOM 1368 CG ARG A 82 1.683 -11.473 4.448 1.00 0.29 C ATOM 1369 CD ARG A 82 2.876 -11.881 3.603 1.00 0.60 C ATOM 1370 NE ARG A 82 3.759 -12.806 4.310 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.652 -13.579 3.704 1.00 1.46 C ATOM 1372 NH1 ARG A 82 4.768 -13.552 2.384 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.428 -14.383 4.417 1.00 1.85 N ATOM 0 H ARG A 82 1.442 -8.634 5.643 1.00 0.18 H new ATOM 0 HA ARG A 82 2.128 -9.094 2.793 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.164 -10.421 4.238 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.583 -10.871 2.718 1.00 0.22 H new ATOM 0 HG2 ARG A 82 2.032 -11.026 5.379 1.00 0.29 H new ATOM 0 HG3 ARG A 82 1.107 -12.358 4.716 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.525 -12.347 2.682 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.438 -10.992 3.316 1.00 0.60 H new ATOM 0 HE ARG A 82 3.685 -12.861 5.326 1.00 0.96 H new ATOM 0 HH11 ARG A 82 4.171 -12.937 1.832 1.00 1.68 H new ATOM 0 HH12 ARG A 82 5.455 -14.147 1.920 1.00 1.68 H new ATOM 0 HH21 ARG A 82 5.339 -14.408 5.433 1.00 1.85 H new ATOM 0 HH22 ARG A 82 6.114 -14.976 3.950 1.00 1.85 H new ATOM 1387 N HIS A 83 0.727 -6.845 3.055 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.213 -5.767 2.781 1.00 0.09 C ATOM 1389 C HIS A 83 -0.639 -5.765 1.320 1.00 0.08 C ATOM 1390 O HIS A 83 -0.111 -6.516 0.499 1.00 0.10 O ATOM 1391 CB HIS A 83 0.390 -4.394 3.129 1.00 0.12 C ATOM 1392 CG HIS A 83 1.593 -4.445 4.025 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.516 -4.936 5.304 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.866 -4.057 3.774 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.737 -4.839 5.802 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.592 -4.312 4.910 1.00 0.15 N ATOM 0 H HIS A 83 1.708 -6.565 3.039 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.086 -5.943 3.410 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.665 -3.888 2.203 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.378 -3.787 3.609 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.239 -3.629 2.855 1.00 0.13 H new ATOM 0 HE1 HIS A 83 3.012 -5.145 6.800 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.587 -4.136 5.050 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.604 -4.912 1.009 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.107 -4.771 -0.347 1.00 0.08 C ATOM 1406 C PHE A 84 -2.805 -3.427 -0.499 1.00 0.08 C ATOM 1407 O PHE A 84 -3.327 -2.874 0.469 1.00 0.08 O ATOM 1408 CB PHE A 84 -3.047 -5.922 -0.715 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.189 -6.125 0.239 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -4.048 -6.957 1.336 1.00 0.11 C ATOM 1411 CD2 PHE A 84 -5.397 -5.469 0.051 1.00 0.12 C ATOM 1412 CE1 PHE A 84 -5.086 -7.134 2.227 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -6.442 -5.645 0.939 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.321 -6.520 1.977 1.00 0.15 C ATOM 0 H PHE A 84 -2.058 -4.301 1.688 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.263 -4.811 -1.036 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.451 -5.740 -1.711 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.468 -6.844 -0.769 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -3.114 -7.474 1.496 1.00 0.11 H new ATOM 0 HD2 PHE A 84 -5.522 -4.814 -0.798 1.00 0.12 H new ATOM 0 HE1 PHE A 84 -4.948 -7.741 3.110 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -7.358 -5.087 0.810 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.173 -6.739 2.604 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.812 -2.902 -1.715 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.412 -1.602 -1.974 1.00 0.09 C ATOM 1426 C ILE A 85 -4.860 -1.718 -2.438 1.00 0.08 C ATOM 1427 O ILE A 85 -5.140 -2.257 -3.510 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.602 -0.822 -3.027 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.162 -0.628 -2.548 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.251 0.522 -3.322 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.342 0.268 -3.451 1.00 0.12 C ATOM 0 H ILE A 85 -2.410 -3.355 -2.536 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.399 -1.061 -1.028 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.589 -1.401 -3.950 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.175 -0.204 -1.544 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.677 -1.601 -2.477 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.661 1.055 -4.068 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.260 0.363 -3.703 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.297 1.112 -2.407 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.668 0.361 -3.051 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.298 -0.165 -4.450 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.804 1.254 -3.503 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.772 -1.202 -1.622 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.187 -1.216 -1.958 1.00 0.08 C ATOM 1445 C LEU A 86 -7.473 -0.135 -2.989 1.00 0.08 C ATOM 1446 O LEU A 86 -7.135 1.029 -2.785 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.045 -0.992 -0.709 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.554 -1.030 -0.952 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -9.933 -2.283 -1.725 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.312 -0.966 0.366 1.00 0.14 C ATOM 0 H LEU A 86 -5.555 -0.769 -0.724 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.440 -2.192 -2.373 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.791 -1.752 0.030 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.785 -0.026 -0.275 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.830 -0.159 -1.546 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.010 -2.296 -1.891 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.418 -2.288 -2.686 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.643 -3.165 -1.154 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.384 -0.994 0.171 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.034 -1.817 0.987 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.062 -0.041 0.885 1.00 0.14 H new ATOM 1462 N THR A 87 -8.095 -0.520 -4.094 1.00 0.08 N ATOM 1463 CA THR A 87 -8.393 0.424 -5.162 1.00 0.09 C ATOM 1464 C THR A 87 -9.890 0.611 -5.365 1.00 0.09 C ATOM 1465 O THR A 87 -10.323 1.593 -5.969 1.00 0.11 O ATOM 1466 CB THR A 87 -7.763 -0.035 -6.487 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.296 -1.307 -6.869 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.253 -0.133 -6.354 1.00 0.13 C ATOM 0 H THR A 87 -8.402 -1.476 -4.274 1.00 0.08 H new ATOM 0 HA THR A 87 -7.965 1.379 -4.858 1.00 0.09 H new ATOM 0 HB THR A 87 -8.001 0.701 -7.255 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.455 -1.849 -6.068 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.825 -0.459 -7.302 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.847 0.843 -6.089 1.00 0.13 H new ATOM 0 HG23 THR A 87 -6.002 -0.853 -5.575 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.680 -0.334 -4.871 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.125 -0.254 -5.009 1.00 0.10 C ATOM 1478 C LYS A 88 -12.816 -1.358 -4.224 1.00 0.11 C ATOM 1479 O LYS A 88 -12.213 -2.382 -3.901 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.518 -0.341 -6.483 1.00 0.12 C ATOM 1481 CG LYS A 88 -14.018 -0.402 -6.711 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.355 -0.429 -8.193 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.855 -0.515 -8.421 1.00 0.55 C ATOM 1484 NZ LYS A 88 -16.581 0.608 -7.767 1.00 1.43 N ATOM 0 H LYS A 88 -10.345 -1.160 -4.374 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.448 0.705 -4.604 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -12.114 0.524 -7.009 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -12.056 -1.226 -6.922 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.425 -1.290 -6.228 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.494 0.461 -6.244 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.964 0.468 -8.673 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.865 -1.281 -8.663 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -16.061 -0.506 -9.491 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -16.227 -1.463 -8.033 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -17.553 0.653 -8.134 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -16.605 0.454 -6.739 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -16.092 1.503 -7.971 1.00 1.43 H new ATOM 1498 N VAL A 89 -14.086 -1.136 -3.919 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.875 -2.104 -3.176 1.00 0.15 C ATOM 1500 C VAL A 89 -16.278 -2.231 -3.764 1.00 0.17 C ATOM 1501 O VAL A 89 -17.047 -1.271 -3.768 1.00 0.20 O ATOM 1502 CB VAL A 89 -14.965 -1.723 -1.683 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.582 -1.424 -1.132 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.890 -0.533 -1.468 1.00 0.21 C ATOM 0 H VAL A 89 -14.593 -0.289 -4.177 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.371 -3.067 -3.258 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.385 -2.573 -1.145 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.660 -1.157 -0.078 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -12.950 -2.306 -1.237 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -13.142 -0.594 -1.685 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -15.931 -0.291 -0.406 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.512 0.326 -2.022 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.891 -0.781 -1.822 1.00 0.21 H new ATOM 1514 N SER A 90 -16.602 -3.416 -4.265 1.00 0.20 N ATOM 1515 CA SER A 90 -17.915 -3.658 -4.848 1.00 0.24 C ATOM 1516 C SER A 90 -18.902 -4.088 -3.775 1.00 0.23 C ATOM 1517 O SER A 90 -19.296 -5.250 -3.714 1.00 0.22 O ATOM 1518 CB SER A 90 -17.832 -4.730 -5.935 1.00 0.27 C ATOM 1519 OG SER A 90 -19.085 -4.909 -6.571 1.00 1.15 O ATOM 0 H SER A 90 -15.976 -4.222 -4.279 1.00 0.20 H new ATOM 0 HA SER A 90 -18.263 -2.728 -5.297 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.083 -4.446 -6.674 1.00 0.27 H new ATOM 0 HB3 SER A 90 -17.505 -5.673 -5.496 1.00 0.27 H new ATOM 0 HG SER A 90 -19.005 -5.598 -7.263 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.302 -3.143 -2.935 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.237 -3.431 -1.856 1.00 0.31 C ATOM 1527 C LYS A 91 -21.480 -4.134 -2.388 1.00 0.33 C ATOM 1528 O LYS A 91 -22.163 -4.848 -1.654 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.632 -2.140 -1.143 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.235 -2.366 0.232 1.00 0.80 C ATOM 1531 CD LYS A 91 -20.230 -3.003 1.178 1.00 1.43 C ATOM 1532 CE LYS A 91 -20.785 -3.121 2.588 1.00 1.61 C ATOM 1533 NZ LYS A 91 -21.171 -1.795 3.143 1.00 1.86 N ATOM 0 H LYS A 91 -18.994 -2.172 -2.980 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.744 -4.095 -1.146 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -19.752 -1.505 -1.045 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.349 -1.598 -1.760 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -21.573 -1.415 0.644 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -22.113 -3.006 0.146 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -19.959 -3.992 0.809 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.317 -2.408 1.194 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -21.654 -3.780 2.583 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -20.039 -3.583 3.235 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -21.153 -1.835 4.182 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -20.501 -1.072 2.813 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -22.130 -1.550 2.823 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.767 -3.928 -3.668 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.923 -4.550 -4.298 1.00 0.41 C ATOM 1549 C GLU A 92 -22.769 -6.063 -4.309 1.00 0.35 C ATOM 1550 O GLU A 92 -23.738 -6.804 -4.141 1.00 0.39 O ATOM 1551 CB GLU A 92 -23.087 -4.035 -5.726 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.324 -2.538 -5.810 1.00 0.57 C ATOM 1553 CD GLU A 92 -23.415 -2.042 -7.240 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -24.535 -2.030 -7.793 1.00 1.29 O ATOM 1555 OE2 GLU A 92 -22.368 -1.663 -7.805 1.00 2.09 O ATOM 0 H GLU A 92 -21.215 -3.336 -4.288 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.812 -4.290 -3.723 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -22.194 -4.285 -6.298 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.923 -4.553 -6.196 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -24.246 -2.290 -5.284 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -22.515 -2.016 -5.299 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.538 -6.510 -4.509 1.00 0.30 N ATOM 1563 CA ALA A 93 -21.231 -7.933 -4.544 1.00 0.30 C ATOM 1564 C ALA A 93 -20.360 -8.351 -3.361 1.00 0.26 C ATOM 1565 O ALA A 93 -20.068 -9.533 -3.187 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.537 -8.279 -5.850 1.00 0.36 C ATOM 0 H ALA A 93 -20.730 -5.903 -4.650 1.00 0.30 H new ATOM 0 HA ALA A 93 -22.171 -8.481 -4.473 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -20.310 -9.345 -5.870 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -21.191 -8.031 -6.686 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.611 -7.709 -5.932 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.946 -7.377 -2.551 1.00 0.18 N ATOM 1573 CA ASN A 94 -19.109 -7.644 -1.395 1.00 0.18 C ATOM 1574 C ASN A 94 -17.697 -8.009 -1.829 1.00 0.19 C ATOM 1575 O ASN A 94 -17.037 -8.824 -1.193 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.705 -8.768 -0.546 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.176 -8.556 -0.249 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -22.045 -8.997 -1.003 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.464 -7.877 0.854 1.00 0.44 N ATOM 0 H ASN A 94 -20.181 -6.393 -2.680 1.00 0.18 H new ATOM 0 HA ASN A 94 -19.065 -6.737 -0.792 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.576 -9.718 -1.065 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.155 -8.840 0.392 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.437 -7.702 1.106 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.713 -7.530 1.450 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.240 -7.404 -2.919 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.899 -7.664 -3.428 1.00 0.15 C ATOM 1588 C ARG A 95 -14.990 -6.473 -3.162 1.00 0.13 C ATOM 1589 O ARG A 95 -15.457 -5.386 -2.820 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.938 -7.967 -4.924 1.00 0.18 C ATOM 1591 CG ARG A 95 -17.018 -8.959 -5.311 1.00 0.26 C ATOM 1592 CD ARG A 95 -17.043 -9.199 -6.810 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.221 -7.959 -7.565 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.426 -7.918 -8.877 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -17.484 -9.044 -9.576 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -17.574 -6.754 -9.491 1.00 1.98 N ATOM 0 H ARG A 95 -17.777 -6.731 -3.466 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.501 -8.535 -2.907 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.096 -7.038 -5.471 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.969 -8.358 -5.233 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.849 -9.903 -4.793 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.989 -8.587 -4.985 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -16.113 -9.678 -7.115 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -17.851 -9.889 -7.052 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.186 -7.076 -7.056 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -17.371 -9.942 -9.106 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.641 -9.011 -10.583 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -17.531 -5.886 -8.957 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -17.731 -6.725 -10.498 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.691 -6.681 -3.322 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.722 -5.625 -3.086 1.00 0.10 C ATOM 1612 C TYR A 96 -11.570 -5.693 -4.076 1.00 0.08 C ATOM 1613 O TYR A 96 -10.889 -6.712 -4.188 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.195 -5.732 -1.660 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.278 -5.567 -0.624 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.130 -6.615 -0.316 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.435 -4.368 0.061 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -15.113 -6.478 0.643 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.410 -4.222 1.026 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.301 -5.246 1.253 1.00 0.13 C ATOM 1621 OH TYR A 96 -16.218 -5.137 2.279 1.00 0.17 O ATOM 0 H TYR A 96 -13.286 -7.570 -3.614 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.219 -4.665 -3.225 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.715 -6.702 -1.526 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.429 -4.973 -1.503 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -14.023 -7.556 -0.835 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.783 -3.537 -0.166 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.730 -7.321 0.916 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.474 -3.309 1.600 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.457 -6.031 2.601 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.354 -4.595 -4.792 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.279 -4.526 -5.767 1.00 0.07 C ATOM 1633 C LEU A 97 -8.993 -4.063 -5.104 1.00 0.07 C ATOM 1634 O LEU A 97 -8.880 -2.911 -4.693 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.637 -3.568 -6.898 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.610 -3.495 -8.027 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.540 -4.816 -8.778 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -9.942 -2.352 -8.971 1.00 0.13 C ATOM 0 H LEU A 97 -11.910 -3.743 -4.714 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.135 -5.525 -6.179 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.597 -3.867 -7.318 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.769 -2.570 -6.481 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.630 -3.305 -7.590 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.803 -4.741 -9.577 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.251 -5.611 -8.090 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.517 -5.044 -9.205 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.201 -2.313 -9.770 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -10.931 -2.511 -9.401 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -9.932 -1.411 -8.421 1.00 0.13 H new ATOM 1650 N ILE A 98 -8.027 -4.960 -5.008 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.753 -4.638 -4.391 1.00 0.09 C ATOM 1652 C ILE A 98 -5.607 -4.892 -5.350 1.00 0.09 C ATOM 1653 O ILE A 98 -5.751 -5.625 -6.325 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.524 -5.471 -3.119 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.474 -6.965 -3.454 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.613 -5.190 -2.095 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.125 -7.438 -3.953 1.00 0.11 C ATOM 0 H ILE A 98 -8.101 -5.918 -5.350 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.784 -3.580 -4.129 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.564 -5.184 -2.689 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.742 -7.536 -2.565 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.227 -7.183 -4.211 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.435 -5.788 -1.201 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.601 -4.132 -1.832 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.584 -5.448 -2.517 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.171 -8.506 -4.168 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.862 -6.895 -4.861 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.370 -7.254 -3.189 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.469 -4.278 -5.073 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.297 -4.469 -5.906 1.00 0.11 C ATOM 1671 C PHE A 99 -2.319 -5.401 -5.206 1.00 0.12 C ATOM 1672 O PHE A 99 -1.758 -5.055 -4.173 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.626 -3.133 -6.221 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.595 -3.238 -7.304 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.969 -3.222 -8.637 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.249 -3.344 -6.988 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -1.022 -3.312 -9.637 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.703 -3.434 -7.984 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.313 -3.447 -9.310 1.00 0.15 C ATOM 0 H PHE A 99 -4.333 -3.647 -4.283 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.609 -4.917 -6.849 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.387 -2.412 -6.520 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.157 -2.746 -5.316 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -3.014 -3.138 -8.897 1.00 0.16 H new ATOM 0 HD2 PHE A 99 0.058 -3.356 -5.953 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.324 -3.277 -10.673 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.750 -3.494 -7.727 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.051 -3.563 -10.090 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.134 -6.589 -5.765 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.235 -7.576 -5.179 1.00 0.20 C ATOM 1691 C ASP A 100 0.220 -7.128 -5.276 1.00 0.15 C ATOM 1692 O ASP A 100 0.784 -7.029 -6.366 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.421 -8.930 -5.863 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.703 -10.051 -5.139 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.545 -10.079 -5.177 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.387 -10.903 -4.534 1.00 0.58 O ATOM 0 H ASP A 100 -2.594 -6.893 -6.623 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.484 -7.674 -4.122 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.485 -9.161 -5.920 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -1.053 -8.869 -6.887 1.00 0.28 H new ATOM 1701 N LEU A 101 0.816 -6.858 -4.120 1.00 0.14 N ATOM 1702 CA LEU A 101 2.205 -6.421 -4.047 1.00 0.12 C ATOM 1703 C LEU A 101 3.175 -7.574 -4.315 1.00 0.13 C ATOM 1704 O LEU A 101 4.381 -7.360 -4.439 1.00 0.16 O ATOM 1705 CB LEU A 101 2.479 -5.812 -2.667 1.00 0.14 C ATOM 1706 CG LEU A 101 1.880 -4.420 -2.420 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.563 -4.245 -3.158 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.670 -4.194 -0.932 1.00 0.11 C ATOM 0 H LEU A 101 0.354 -6.935 -3.214 1.00 0.14 H new ATOM 0 HA LEU A 101 2.366 -5.670 -4.820 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.094 -6.492 -1.908 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.558 -5.753 -2.525 1.00 0.14 H new ATOM 0 HG LEU A 101 2.586 -3.682 -2.802 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.166 -3.249 -2.962 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.727 -4.366 -4.229 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.150 -4.994 -2.813 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.245 -3.203 -0.771 1.00 0.11 H new ATOM 0 HD22 LEU A 101 0.988 -4.949 -0.542 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.626 -4.267 -0.414 1.00 0.11 H new ATOM 1720 N GLU A 102 2.647 -8.793 -4.404 1.00 0.14 N ATOM 1721 CA GLU A 102 3.474 -9.965 -4.650 1.00 0.16 C ATOM 1722 C GLU A 102 3.587 -10.236 -6.142 1.00 0.16 C ATOM 1723 O GLU A 102 4.661 -10.549 -6.654 1.00 0.20 O ATOM 1724 CB GLU A 102 2.877 -11.187 -3.956 1.00 0.17 C ATOM 1725 CG GLU A 102 2.380 -10.905 -2.552 1.00 0.21 C ATOM 1726 CD GLU A 102 1.927 -12.159 -1.830 1.00 0.23 C ATOM 1727 OE1 GLU A 102 0.752 -12.546 -1.996 1.00 0.29 O ATOM 1728 OE2 GLU A 102 2.748 -12.753 -1.099 1.00 0.32 O ATOM 0 H GLU A 102 1.651 -8.991 -4.309 1.00 0.14 H new ATOM 0 HA GLU A 102 4.468 -9.770 -4.248 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.050 -11.567 -4.556 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.629 -11.975 -3.915 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.174 -10.427 -1.979 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.552 -10.198 -2.599 1.00 0.21 H new ATOM 1735 N GLN A 103 2.459 -10.111 -6.830 1.00 0.15 N ATOM 1736 CA GLN A 103 2.402 -10.343 -8.264 1.00 0.16 C ATOM 1737 C GLN A 103 2.451 -9.032 -9.041 1.00 0.15 C ATOM 1738 O GLN A 103 2.693 -9.027 -10.247 1.00 0.17 O ATOM 1739 CB GLN A 103 1.128 -11.103 -8.616 1.00 0.17 C ATOM 1740 CG GLN A 103 0.803 -12.204 -7.629 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.474 -12.942 -7.970 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.846 -13.061 -9.137 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.153 -13.441 -6.946 1.00 0.45 N ATOM 0 H GLN A 103 1.566 -9.848 -6.412 1.00 0.15 H new ATOM 0 HA GLN A 103 3.272 -10.936 -8.544 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.294 -10.403 -8.658 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.232 -11.534 -9.612 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.630 -12.914 -7.599 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.714 -11.776 -6.631 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.806 -13.317 -5.995 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -2.023 -13.948 -7.109 1.00 0.45 H new ATOM 1752 N ARG A 104 2.219 -7.921 -8.343 1.00 0.15 N ATOM 1753 CA ARG A 104 2.235 -6.610 -8.976 1.00 0.15 C ATOM 1754 C ARG A 104 1.039 -6.454 -9.901 1.00 0.16 C ATOM 1755 O ARG A 104 1.105 -5.751 -10.910 1.00 0.20 O ATOM 1756 CB ARG A 104 3.534 -6.419 -9.757 1.00 0.16 C ATOM 1757 CG ARG A 104 4.773 -6.787 -8.959 1.00 0.17 C ATOM 1758 CD ARG A 104 6.044 -6.450 -9.717 1.00 0.21 C ATOM 1759 NE ARG A 104 7.241 -6.934 -9.031 1.00 0.79 N ATOM 1760 CZ ARG A 104 8.479 -6.656 -9.426 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.682 -5.897 -10.494 1.00 0.64 N ATOM 1762 NH2 ARG A 104 9.515 -7.136 -8.753 1.00 1.67 N ATOM 0 H ARG A 104 2.019 -7.906 -7.343 1.00 0.15 H new ATOM 0 HA ARG A 104 2.176 -5.847 -8.200 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.499 -7.026 -10.661 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.610 -5.379 -10.074 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.765 -6.256 -8.007 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.756 -7.853 -8.730 1.00 0.17 H new ATOM 0 HD2 ARG A 104 5.997 -6.887 -10.714 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.113 -5.370 -9.846 1.00 0.21 H new ATOM 0 HE ARG A 104 7.119 -7.517 -8.203 1.00 0.79 H new ATOM 0 HH11 ARG A 104 7.887 -5.525 -11.014 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.633 -5.685 -10.796 1.00 0.64 H new ATOM 0 HH21 ARG A 104 9.363 -7.720 -7.931 1.00 1.67 H new ATOM 0 HH22 ARG A 104 10.465 -6.922 -9.058 1.00 1.67 H new ATOM 1776 N ASN A 105 -0.058 -7.113 -9.546 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.271 -7.062 -10.348 1.00 0.16 C ATOM 1778 C ASN A 105 -2.501 -6.845 -9.474 1.00 0.13 C ATOM 1779 O ASN A 105 -2.506 -7.204 -8.296 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.430 -8.361 -11.135 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.579 -9.568 -10.226 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -2.075 -9.457 -9.105 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.152 -10.731 -10.706 1.00 0.45 N ATOM 0 H ASN A 105 -0.131 -7.689 -8.707 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.184 -6.222 -11.037 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.303 -8.287 -11.783 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.564 -8.500 -11.782 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.229 -11.576 -10.140 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.747 -10.779 -11.641 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.565 -6.250 -10.042 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.810 -6.001 -9.319 1.00 0.13 C ATOM 1792 C PRO A 106 -5.596 -7.284 -9.100 1.00 0.15 C ATOM 1793 O PRO A 106 -5.443 -8.253 -9.844 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.594 -5.052 -10.235 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.640 -4.649 -11.309 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.643 -5.762 -11.421 1.00 0.22 C ATOM 0 HA PRO A 106 -4.626 -5.587 -8.328 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.470 -5.547 -10.655 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.953 -4.183 -9.684 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.160 -4.496 -12.254 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.148 -3.709 -11.060 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.976 -6.539 -12.109 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.677 -5.408 -11.783 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.438 -7.283 -8.079 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.245 -8.449 -7.761 1.00 0.13 C ATOM 1806 C ARG A 107 -8.534 -8.049 -7.066 1.00 0.11 C ATOM 1807 O ARG A 107 -8.594 -7.035 -6.376 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.458 -9.412 -6.876 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.424 -10.220 -7.636 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.826 -11.316 -6.768 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.853 -12.187 -6.200 1.00 0.35 N ATOM 1812 CZ ARG A 107 -6.436 -13.172 -6.873 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -6.101 -13.406 -8.135 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -7.355 -13.925 -6.284 1.00 1.02 N ATOM 0 H ARG A 107 -6.580 -6.488 -7.457 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.499 -8.946 -8.697 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.959 -8.846 -6.089 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -7.153 -10.094 -6.386 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.884 -10.664 -8.519 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.631 -9.560 -7.988 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -4.134 -11.912 -7.363 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -4.247 -10.865 -5.962 1.00 0.27 H new ATOM 0 HE ARG A 107 -6.138 -12.030 -5.233 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -5.394 -12.829 -8.590 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -6.550 -14.163 -8.650 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -7.614 -13.748 -5.314 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -7.803 -14.682 -6.801 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.564 -8.860 -7.253 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.859 -8.605 -6.645 1.00 0.12 C ATOM 1830 C VAL A 108 -11.176 -9.666 -5.601 1.00 0.12 C ATOM 1831 O VAL A 108 -11.557 -10.788 -5.937 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.984 -8.580 -7.696 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -13.330 -8.323 -7.035 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -11.695 -7.531 -8.759 1.00 0.61 C ATOM 0 H VAL A 108 -9.527 -9.704 -7.824 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.804 -7.625 -6.170 1.00 0.12 H new ATOM 0 HB VAL A 108 -12.026 -9.556 -8.180 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -14.112 -8.309 -7.795 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -13.538 -9.114 -6.314 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -13.306 -7.362 -6.522 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -12.500 -7.527 -9.494 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -11.625 -6.549 -8.291 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -10.753 -7.765 -9.254 1.00 0.61 H new ATOM 1844 N LEU A 109 -11.013 -9.306 -4.335 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.275 -10.231 -3.243 1.00 0.12 C ATOM 1846 C LEU A 109 -12.723 -10.158 -2.800 1.00 0.12 C ATOM 1847 O LEU A 109 -13.414 -9.171 -3.046 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.380 -9.921 -2.045 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.896 -10.219 -2.239 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.285 -9.246 -3.234 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -8.171 -10.153 -0.905 1.00 0.14 C ATOM 0 H LEU A 109 -10.701 -8.381 -4.040 1.00 0.12 H new ATOM 0 HA LEU A 109 -11.061 -11.234 -3.612 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.491 -8.866 -1.794 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.738 -10.492 -1.188 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.789 -11.227 -2.641 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.226 -9.472 -3.361 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.794 -9.339 -4.194 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.396 -8.227 -2.862 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -7.113 -10.367 -1.055 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.283 -9.156 -0.479 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.597 -10.889 -0.223 1.00 0.14 H new ATOM 1863 N GLU A 110 -13.175 -11.215 -2.148 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.530 -11.263 -1.637 1.00 0.13 C ATOM 1865 C GLU A 110 -14.522 -10.788 -0.197 1.00 0.12 C ATOM 1866 O GLU A 110 -13.506 -10.897 0.485 1.00 0.12 O ATOM 1867 CB GLU A 110 -15.099 -12.678 -1.722 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.605 -13.461 -2.926 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.342 -14.772 -3.111 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -14.961 -15.765 -2.456 1.00 0.34 O ATOM 1871 OE2 GLU A 110 -16.300 -14.807 -3.911 1.00 0.33 O ATOM 0 H GLU A 110 -12.622 -12.051 -1.961 1.00 0.13 H new ATOM 0 HA GLU A 110 -15.164 -10.615 -2.242 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.837 -13.221 -0.814 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -16.187 -12.622 -1.757 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.722 -12.853 -3.823 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.539 -13.660 -2.813 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.642 -10.268 0.274 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.718 -9.769 1.640 1.00 0.13 C ATOM 1880 C GLN A 111 -15.129 -10.773 2.621 1.00 0.12 C ATOM 1881 O GLN A 111 -14.361 -10.411 3.509 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.160 -9.455 2.014 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.307 -9.015 3.452 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.664 -8.415 3.750 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.679 -8.821 3.184 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.683 -7.429 4.636 1.00 0.31 N ATOM 0 H GLN A 111 -16.505 -10.180 -0.262 1.00 0.13 H new ATOM 0 HA GLN A 111 -15.132 -8.851 1.695 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.539 -8.671 1.358 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.776 -10.338 1.844 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.142 -9.871 4.107 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.533 -8.283 3.683 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.816 -7.126 5.080 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.564 -6.974 4.874 1.00 0.31 H new ATOM 1895 N SER A 112 -15.489 -12.034 2.454 1.00 0.13 N ATOM 1896 CA SER A 112 -14.973 -13.079 3.320 1.00 0.14 C ATOM 1897 C SER A 112 -13.451 -13.099 3.255 1.00 0.14 C ATOM 1898 O SER A 112 -12.778 -13.311 4.263 1.00 0.16 O ATOM 1899 CB SER A 112 -15.533 -14.440 2.912 1.00 0.16 C ATOM 1900 OG SER A 112 -16.932 -14.504 3.129 1.00 0.95 O ATOM 0 H SER A 112 -16.132 -12.357 1.732 1.00 0.13 H new ATOM 0 HA SER A 112 -15.286 -12.871 4.343 1.00 0.14 H new ATOM 0 HB2 SER A 112 -15.317 -14.625 1.860 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.037 -15.226 3.482 1.00 0.16 H new ATOM 0 HG SER A 112 -17.265 -15.385 2.858 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.920 -12.881 2.056 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.480 -12.860 1.847 1.00 0.13 C ATOM 1908 C GLU A 113 -10.881 -11.565 2.373 1.00 0.14 C ATOM 1909 O GLU A 113 -9.916 -11.580 3.138 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.163 -13.019 0.362 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.661 -14.327 -0.219 1.00 0.18 C ATOM 1912 CD GLU A 113 -11.053 -15.538 0.460 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -11.617 -15.995 1.477 1.00 0.30 O ATOM 1914 OE2 GLU A 113 -10.012 -16.030 -0.024 1.00 0.31 O ATOM 0 H GLU A 113 -13.469 -12.716 1.213 1.00 0.13 H new ATOM 0 HA GLU A 113 -11.039 -13.692 2.396 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.610 -12.191 -0.189 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -10.085 -12.953 0.218 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.746 -14.371 -0.127 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.430 -14.358 -1.284 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.460 -10.443 1.958 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.985 -9.141 2.393 1.00 0.12 C ATOM 1923 C PHE A 114 -11.089 -9.029 3.906 1.00 0.13 C ATOM 1924 O PHE A 114 -10.131 -8.654 4.577 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.782 -8.024 1.721 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.296 -6.658 2.092 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -10.292 -6.044 1.363 1.00 0.12 C ATOM 1928 CD2 PHE A 114 -11.836 -5.991 3.178 1.00 0.14 C ATOM 1929 CE1 PHE A 114 -9.835 -4.789 1.712 1.00 0.13 C ATOM 1930 CE2 PHE A 114 -11.383 -4.735 3.530 1.00 0.15 C ATOM 1931 CZ PHE A 114 -10.380 -4.134 2.796 1.00 0.14 C ATOM 0 H PHE A 114 -12.257 -10.412 1.322 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.940 -9.037 2.102 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.724 -8.143 0.639 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.832 -8.118 1.996 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -9.862 -6.552 0.513 1.00 0.12 H new ATOM 0 HD2 PHE A 114 -12.620 -6.458 3.756 1.00 0.14 H new ATOM 0 HE1 PHE A 114 -9.051 -4.320 1.136 1.00 0.13 H new ATOM 0 HE2 PHE A 114 -11.813 -4.223 4.378 1.00 0.15 H new ATOM 0 HZ PHE A 114 -10.023 -3.152 3.070 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.261 -9.357 4.435 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.485 -9.319 5.873 1.00 0.14 C ATOM 1943 C GLU A 115 -11.446 -10.172 6.571 1.00 0.15 C ATOM 1944 O GLU A 115 -10.952 -9.833 7.647 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.878 -9.847 6.209 1.00 0.14 C ATOM 1946 CG GLU A 115 -15.001 -8.896 5.852 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.354 -9.393 6.320 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.664 -10.581 6.089 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.106 -8.592 6.917 1.00 0.66 O ATOM 0 H GLU A 115 -13.071 -9.652 3.889 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.405 -8.286 6.212 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.034 -10.790 5.685 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.925 -10.064 7.276 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.802 -7.921 6.297 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -15.023 -8.755 4.771 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.125 -11.288 5.937 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.148 -12.221 6.462 1.00 0.15 C ATOM 1958 C ALA A 116 -8.734 -11.646 6.402 1.00 0.16 C ATOM 1959 O ALA A 116 -7.802 -12.211 6.975 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.223 -13.523 5.683 1.00 0.17 C ATOM 0 H ALA A 116 -11.535 -11.570 5.046 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.380 -12.408 7.511 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.489 -14.226 6.077 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.222 -13.949 5.781 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -10.013 -13.330 4.631 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.576 -10.517 5.712 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.270 -9.886 5.576 1.00 0.18 C ATOM 1968 C LEU A 117 -7.248 -8.503 6.221 1.00 0.19 C ATOM 1969 O LEU A 117 -6.217 -8.061 6.725 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.903 -9.774 4.098 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.880 -11.100 3.342 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.868 -10.860 1.840 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.673 -11.928 3.759 1.00 0.23 C ATOM 0 H LEU A 117 -9.335 -10.024 5.241 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.539 -10.509 6.091 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.614 -9.107 3.611 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.921 -9.308 4.016 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.784 -11.655 3.593 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.852 -11.817 1.319 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.762 -10.306 1.553 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.982 -10.285 1.571 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.671 -12.870 3.211 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.759 -11.377 3.536 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.723 -12.131 4.829 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.390 -7.827 6.207 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.489 -6.492 6.779 1.00 0.14 C ATOM 1987 C TYR A 118 -8.422 -6.538 8.301 1.00 0.20 C ATOM 1988 O TYR A 118 -9.151 -7.294 8.942 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.788 -5.823 6.336 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.801 -4.330 6.566 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.834 -3.518 5.993 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.778 -3.734 7.354 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.837 -2.153 6.195 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.789 -2.369 7.561 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.816 -1.582 6.979 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.823 -0.223 7.181 1.00 0.33 O ATOM 0 H TYR A 118 -9.259 -8.181 5.806 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.642 -5.909 6.417 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.948 -6.022 5.276 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.622 -6.274 6.874 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -8.065 -3.962 5.378 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.540 -4.348 7.811 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.076 -1.535 5.741 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.555 -1.919 8.175 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.653 0.036 7.633 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.541 -5.722 8.871 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.383 -5.668 10.320 1.00 0.29 C ATOM 2008 C GLN A 119 -7.994 -4.394 10.904 1.00 0.26 C ATOM 2009 O GLN A 119 -7.704 -4.026 12.041 1.00 0.40 O ATOM 2010 CB GLN A 119 -5.903 -5.758 10.699 1.00 0.36 C ATOM 2011 CG GLN A 119 -5.273 -7.102 10.379 1.00 0.56 C ATOM 2012 CD GLN A 119 -3.985 -7.338 11.141 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -3.790 -6.802 12.232 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -3.105 -8.151 10.576 1.00 0.36 N ATOM 0 H GLN A 119 -6.928 -5.092 8.354 1.00 0.22 H new ATOM 0 HA GLN A 119 -7.914 -6.522 10.741 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.354 -4.975 10.175 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -5.797 -5.562 11.766 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -5.981 -7.896 10.615 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -5.074 -7.160 9.309 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -3.309 -8.573 9.670 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -2.223 -8.355 11.047 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.840 -3.724 10.123 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.472 -2.503 10.592 1.00 0.25 C ATOM 2025 C GLY A 120 -8.591 -1.276 10.435 1.00 0.22 C ATOM 2026 O GLY A 120 -9.056 -0.149 10.612 1.00 0.35 O ATOM 0 H GLY A 120 -9.098 -4.005 9.177 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.401 -2.348 10.043 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.738 -2.619 11.643 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.320 -1.485 10.102 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.387 -0.379 9.929 1.00 0.18 C ATOM 2032 C HIS A 121 -5.973 -0.242 8.471 1.00 0.17 C ATOM 2033 O HIS A 121 -5.698 -1.234 7.797 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.153 -0.578 10.810 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.390 -0.233 12.245 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -5.365 -1.166 13.262 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.656 0.955 12.833 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.607 -0.563 14.414 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.785 0.723 14.181 1.00 0.29 N ATOM 0 H HIS A 121 -6.915 -2.408 9.947 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.891 0.539 10.231 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.830 -1.617 10.742 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.338 0.035 10.426 1.00 0.21 H new ATOM 0 HD1 HIS A 121 -5.188 -2.163 13.144 1.00 0.29 H new ATOM 0 HD2 HIS A 121 -5.750 1.909 12.336 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.651 -1.042 15.381 1.00 0.32 H new ATOM 2048 N ILE A 122 -5.934 0.994 7.989 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.558 1.256 6.608 1.00 0.08 C ATOM 2050 C ILE A 122 -4.771 2.555 6.483 1.00 0.08 C ATOM 2051 O ILE A 122 -4.966 3.490 7.261 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.798 1.311 5.696 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.377 1.262 4.231 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.623 2.561 5.973 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.494 0.843 3.302 1.00 0.12 C ATOM 0 H ILE A 122 -6.158 1.827 8.533 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.921 0.432 6.288 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.420 0.442 5.911 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -6.014 2.245 3.931 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.544 0.568 4.123 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.493 2.576 5.316 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.953 2.556 7.012 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -7.015 3.447 5.790 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.127 0.829 2.276 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.842 -0.153 3.577 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.319 1.551 3.383 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.884 2.606 5.497 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.063 3.785 5.269 1.00 0.08 C ATOM 2069 C ILE A 123 -3.560 4.578 4.070 1.00 0.08 C ATOM 2070 O ILE A 123 -3.498 4.113 2.933 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.589 3.402 5.051 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.077 2.629 6.261 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.742 4.644 4.808 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.352 2.160 6.127 1.00 0.10 C ATOM 0 H ILE A 123 -3.716 1.842 4.842 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.140 4.406 6.161 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.514 2.768 4.168 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.160 3.261 7.145 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.719 1.764 6.426 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.297 4.352 4.656 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.106 5.165 3.922 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.810 5.306 5.672 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.643 1.619 7.027 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.439 1.501 5.263 1.00 0.10 H new ATOM 0 HD13 ILE A 123 1.007 3.021 5.994 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.051 5.779 4.338 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.555 6.646 3.285 1.00 0.09 C ATOM 2088 C LEU A 124 -3.430 7.520 2.741 1.00 0.09 C ATOM 2089 O LEU A 124 -2.717 8.171 3.505 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.690 7.522 3.817 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.822 6.762 4.516 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.830 7.736 5.106 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.502 5.806 3.547 1.00 0.13 C ATOM 0 H LEU A 124 -4.111 6.175 5.276 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.942 6.025 2.477 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.272 8.246 4.517 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.112 8.088 2.986 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.394 6.176 5.329 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.628 7.180 5.599 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.333 8.378 5.833 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.253 8.349 4.310 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.303 5.275 4.061 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.918 6.369 2.712 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.773 5.088 3.173 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.274 7.532 1.423 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.226 8.324 0.796 1.00 0.11 C ATOM 2107 C ILE A 125 -2.809 9.447 -0.050 1.00 0.12 C ATOM 2108 O ILE A 125 -3.857 9.298 -0.679 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.303 7.453 -0.084 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.614 6.387 0.766 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.264 8.306 -0.802 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.480 5.180 1.048 1.00 0.11 C ATOM 0 H ILE A 125 -3.856 7.005 0.772 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.637 8.755 1.606 1.00 0.11 H new ATOM 0 HB ILE A 125 -1.919 6.963 -0.838 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.294 6.061 0.258 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.307 6.832 1.713 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.372 7.666 -1.414 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.768 9.033 -1.439 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.348 8.829 -0.067 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.923 4.467 1.656 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.376 5.492 1.584 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.766 4.709 0.107 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.111 10.572 -0.051 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.521 11.739 -0.813 1.00 0.14 C ATOM 2126 C ALA A 126 -1.300 12.499 -1.307 1.00 0.13 C ATOM 2127 O ALA A 126 -0.217 12.397 -0.730 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.399 12.644 0.033 1.00 0.17 C ATOM 0 H ALA A 126 -1.247 10.701 0.475 1.00 0.12 H new ATOM 0 HA ALA A 126 -3.099 11.406 -1.675 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.697 13.513 -0.553 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.287 12.097 0.349 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.844 12.972 0.912 1.00 0.17 H new ATOM 2134 N SER A 127 -1.474 13.256 -2.377 1.00 0.19 N ATOM 2135 CA SER A 127 -0.378 14.028 -2.940 1.00 0.19 C ATOM 2136 C SER A 127 -0.752 15.497 -3.075 1.00 0.26 C ATOM 2137 O SER A 127 -1.910 15.838 -3.310 1.00 0.28 O ATOM 2138 CB SER A 127 0.032 13.462 -4.297 1.00 0.23 C ATOM 2139 OG SER A 127 1.058 14.240 -4.888 1.00 0.27 O ATOM 0 H SER A 127 -2.360 13.353 -2.872 1.00 0.19 H new ATOM 0 HA SER A 127 0.468 13.954 -2.257 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.375 12.434 -4.177 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.834 13.434 -4.959 1.00 0.23 H new ATOM 0 HG SER A 127 1.303 13.854 -5.755 1.00 0.27 H new