USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 859 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 52 THR OG1 : rot 145:sc= 0.132 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.496 USER MOD Set 2.1: A 98 THR OG1 : rot 180:sc= -0.263 USER MOD Set 2.2: A 129 HIS : no HD1:sc= -2.91 K(o=-3.2,f=-1.7!) USER MOD Set 3.1: A 55 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 68 THR OG1 : rot 114:sc= 1.65 USER MOD Set 4.1: A 47 LYS NZ :NH3+ 163:sc= 0.0544 (180deg=-0.853) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0.587 USER MOD Single : A 8 ASN : amide:sc= 0.629 K(o=0.63,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.152 (180deg=-0.798) USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.606! USER MOD Single : A 19 ASN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -4.35 K(o=-4.3,f=-3.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.1 K(o=-2.1,f=-3!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.154 (180deg=-0.837) USER MOD Single : A 38 ASN : amide:sc= -4.47 K(o=-4.5,f=-0.8) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 41 ASN : amide:sc= -4.8! K(o=-4.8!,f=-0.91) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -3.27! (180deg=-3.28!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.582 USER MOD Single : A 56 THR OG1 : rot 159:sc= -1.09 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 9:sc= 0.23 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.448 (180deg=0.129) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.011) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.39) USER MOD Single : A 87 THR OG1 : rot 60:sc= -0.0892 USER MOD Single : A 91 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.49) USER MOD Single : A 93 MET CE :methyl -123:sc= -0.56 (180deg=-5.71!) USER MOD Single : A 97 SER OG : rot -97:sc= 0.267 USER MOD Single : A 102 TYR OH : rot -47:sc= 0.0631 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 150:sc= -3.44! USER MOD Single : A 121 ASN : amide:sc= 0.0161 X(o=0.016,f=0) USER MOD Single : A 123 THR OG1 : rot 150:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 145:sc= -0.718 (180deg=-3.2!) USER MOD Single : A 134 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.767 21.034 10.155 1.00 1.00 N ATOM 104 CA GLU A 7 98.218 19.881 10.865 1.00 1.00 C ATOM 105 C GLU A 7 98.798 18.594 10.312 1.00 1.00 C ATOM 106 O GLU A 7 99.354 17.777 11.034 1.00 1.00 O ATOM 107 CB GLU A 7 96.708 19.846 10.713 1.00 1.00 C ATOM 108 CG GLU A 7 96.134 21.234 10.946 1.00 1.00 C ATOM 109 CD GLU A 7 94.611 21.162 10.969 1.00 1.00 C ATOM 110 OE1 GLU A 7 93.984 22.208 10.931 1.00 1.00 O ATOM 111 OE2 GLU A 7 94.094 20.059 11.027 1.00 1.00 O ATOM 0 HA GLU A 7 98.480 19.973 11.919 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.442 19.495 9.716 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.278 19.141 11.424 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.503 21.637 11.889 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.464 21.912 10.159 1.00 1.00 H new ATOM 118 N ASN A 8 98.690 18.445 9.015 1.00 1.00 N ATOM 119 CA ASN A 8 99.220 17.266 8.349 1.00 1.00 C ATOM 120 C ASN A 8 100.701 17.173 8.644 1.00 1.00 C ATOM 121 O ASN A 8 101.270 16.089 8.776 1.00 1.00 O ATOM 122 CB ASN A 8 99.006 17.394 6.849 1.00 1.00 C ATOM 123 CG ASN A 8 97.535 17.579 6.532 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.688 17.479 7.417 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.189 17.830 5.301 1.00 1.00 N ATOM 0 H ASN A 8 98.242 19.120 8.395 1.00 1.00 H new ATOM 0 HA ASN A 8 98.711 16.371 8.707 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.575 18.241 6.466 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.383 16.504 6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.204 17.946 5.062 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.903 17.910 4.577 1.00 1.00 H new ATOM 132 N LYS A 9 101.301 18.337 8.748 1.00 1.00 N ATOM 133 CA LYS A 9 102.721 18.448 9.036 1.00 1.00 C ATOM 134 C LYS A 9 103.048 17.937 10.444 1.00 1.00 C ATOM 135 O LYS A 9 103.946 17.120 10.612 1.00 1.00 O ATOM 136 CB LYS A 9 103.100 19.934 8.873 1.00 1.00 C ATOM 137 CG LYS A 9 104.284 20.346 9.744 1.00 1.00 C ATOM 138 CD LYS A 9 104.680 21.789 9.436 1.00 1.00 C ATOM 139 CE LYS A 9 105.938 22.147 10.231 1.00 1.00 C ATOM 140 NZ LYS A 9 106.363 23.533 9.889 1.00 1.00 N ATOM 0 H LYS A 9 100.825 19.232 8.637 1.00 1.00 H new ATOM 0 HA LYS A 9 103.300 17.830 8.350 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.339 20.130 7.828 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.238 20.553 9.124 1.00 1.00 H new ATOM 0 HG2 LYS A 9 104.023 20.249 10.798 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.129 19.681 9.562 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.864 21.908 8.368 1.00 1.00 H new ATOM 0 HD3 LYS A 9 103.866 22.466 9.697 1.00 1.00 H new ATOM 0 HE2 LYS A 9 105.740 22.069 11.300 1.00 1.00 H new ATOM 0 HE3 LYS A 9 106.738 21.443 10.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 107.218 23.777 10.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 106.568 23.592 8.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 105.601 24.199 10.128 1.00 1.00 H new ATOM 154 N VAL A 10 102.331 18.416 11.453 1.00 1.00 N ATOM 155 CA VAL A 10 102.616 17.985 12.819 1.00 1.00 C ATOM 156 C VAL A 10 102.312 16.512 13.015 1.00 1.00 C ATOM 157 O VAL A 10 103.134 15.769 13.550 1.00 1.00 O ATOM 158 CB VAL A 10 101.824 18.825 13.824 1.00 1.00 C ATOM 159 CG1 VAL A 10 101.987 18.246 15.214 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.343 20.264 13.807 1.00 1.00 C ATOM 0 H VAL A 10 101.567 19.085 11.359 1.00 1.00 H new ATOM 0 HA VAL A 10 103.682 18.134 12.994 1.00 1.00 H new ATOM 0 HB VAL A 10 100.769 18.815 13.550 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.422 18.846 15.927 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.615 17.221 15.227 1.00 1.00 H new ATOM 0 HG13 VAL A 10 103.042 18.253 15.490 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.779 20.863 14.523 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.399 20.273 14.078 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.221 20.683 12.808 1.00 1.00 H new ATOM 164 N LYS A 11 101.143 16.088 12.576 1.00 1.00 N ATOM 165 CA LYS A 11 100.778 14.700 12.711 1.00 1.00 C ATOM 166 C LYS A 11 101.758 13.884 11.900 1.00 1.00 C ATOM 167 O LYS A 11 102.182 12.808 12.309 1.00 1.00 O ATOM 168 CB LYS A 11 99.353 14.455 12.221 1.00 1.00 C ATOM 169 CG LYS A 11 98.322 14.963 13.248 1.00 1.00 C ATOM 170 CD LYS A 11 98.106 16.466 13.082 1.00 1.00 C ATOM 171 CE LYS A 11 97.228 16.989 14.216 1.00 1.00 C ATOM 172 NZ LYS A 11 96.129 16.020 14.488 1.00 1.00 N ATOM 0 H LYS A 11 100.441 16.679 12.129 1.00 1.00 H new ATOM 0 HA LYS A 11 100.813 14.410 13.761 1.00 1.00 H new ATOM 0 HB2 LYS A 11 99.201 14.960 11.267 1.00 1.00 H new ATOM 0 HB3 LYS A 11 99.203 13.390 12.046 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.377 14.436 13.116 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.669 14.748 14.259 1.00 1.00 H new ATOM 0 HD2 LYS A 11 99.065 16.983 13.084 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.635 16.671 12.121 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.827 17.136 15.115 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.812 17.960 13.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.366 16.497 15.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.757 15.655 13.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.495 15.230 15.057 1.00 1.00 H new ATOM 186 N GLY A 12 102.111 14.428 10.744 1.00 1.00 N ATOM 187 CA GLY A 12 103.046 13.764 9.844 1.00 1.00 C ATOM 188 C GLY A 12 104.469 13.745 10.387 1.00 1.00 C ATOM 189 O GLY A 12 105.127 12.708 10.360 1.00 1.00 O ATOM 0 H GLY A 12 101.765 15.326 10.407 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.713 12.740 9.671 1.00 1.00 H new ATOM 0 HA3 GLY A 12 103.036 14.270 8.878 1.00 1.00 H new ATOM 193 N GLU A 13 104.952 14.874 10.886 1.00 1.00 N ATOM 194 CA GLU A 13 106.307 14.893 11.428 1.00 1.00 C ATOM 195 C GLU A 13 106.386 13.888 12.561 1.00 1.00 C ATOM 196 O GLU A 13 107.399 13.229 12.758 1.00 1.00 O ATOM 197 CB GLU A 13 106.690 16.285 11.950 1.00 1.00 C ATOM 198 CG GLU A 13 107.001 17.214 10.783 1.00 1.00 C ATOM 199 CD GLU A 13 107.392 18.595 11.301 1.00 1.00 C ATOM 200 OE1 GLU A 13 108.267 19.201 10.706 1.00 1.00 O ATOM 201 OE2 GLU A 13 106.810 19.025 12.283 1.00 1.00 O ATOM 0 H GLU A 13 104.449 15.760 10.928 1.00 1.00 H new ATOM 0 HA GLU A 13 107.005 14.636 10.631 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.874 16.696 12.545 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.557 16.210 12.606 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.812 16.799 10.184 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.131 17.295 10.131 1.00 1.00 H new ATOM 208 N ALA A 14 105.286 13.776 13.284 1.00 1.00 N ATOM 209 CA ALA A 14 105.183 12.855 14.395 1.00 1.00 C ATOM 210 C ALA A 14 105.066 11.427 13.890 1.00 1.00 C ATOM 211 O ALA A 14 105.582 10.487 14.496 1.00 1.00 O ATOM 212 CB ALA A 14 103.957 13.203 15.236 1.00 1.00 C ATOM 0 H ALA A 14 104.441 14.322 13.115 1.00 1.00 H new ATOM 0 HA ALA A 14 106.082 12.939 15.006 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.881 12.508 16.073 1.00 1.00 H new ATOM 0 HB2 ALA A 14 104.053 14.220 15.616 1.00 1.00 H new ATOM 0 HB3 ALA A 14 103.061 13.129 14.620 1.00 1.00 H new ATOM 218 N PHE A 15 104.365 11.286 12.779 1.00 1.00 N ATOM 219 CA PHE A 15 104.137 9.991 12.166 1.00 1.00 C ATOM 220 C PHE A 15 105.453 9.351 11.763 1.00 1.00 C ATOM 221 O PHE A 15 105.729 8.206 12.115 1.00 1.00 O ATOM 222 CB PHE A 15 103.260 10.228 10.948 1.00 1.00 C ATOM 223 CG PHE A 15 102.792 8.943 10.344 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.412 8.461 9.195 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.694 8.272 10.892 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.936 7.304 8.586 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.226 7.103 10.292 1.00 1.00 C ATOM 228 CZ PHE A 15 101.845 6.623 9.136 1.00 1.00 C ATOM 0 H PHE A 15 103.939 12.065 12.278 1.00 1.00 H new ATOM 0 HA PHE A 15 103.652 9.310 12.866 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.398 10.831 11.232 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.817 10.798 10.204 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.260 8.983 8.777 1.00 1.00 H new ATOM 0 HD2 PHE A 15 101.210 8.658 11.777 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.409 6.932 7.689 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.389 6.572 10.720 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.480 5.722 8.665 1.00 1.00 H new ATOM 238 N LEU A 16 106.280 10.102 11.052 1.00 1.00 N ATOM 239 CA LEU A 16 107.577 9.573 10.655 1.00 1.00 C ATOM 240 C LEU A 16 108.440 9.378 11.884 1.00 1.00 C ATOM 241 O LEU A 16 109.160 8.388 12.000 1.00 1.00 O ATOM 242 CB LEU A 16 108.297 10.503 9.672 1.00 1.00 C ATOM 243 CG LEU A 16 107.642 10.450 8.270 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.489 11.466 8.158 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.705 10.751 7.217 1.00 1.00 C ATOM 0 H LEU A 16 106.085 11.055 10.744 1.00 1.00 H new ATOM 0 HA LEU A 16 107.409 8.620 10.153 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.272 11.525 10.050 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.346 10.216 9.597 1.00 1.00 H new ATOM 0 HG LEU A 16 107.227 9.455 8.110 1.00 1.00 H new ATOM 0 HD11 LEU A 16 106.047 11.407 7.163 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.730 11.239 8.906 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.873 12.472 8.325 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.255 10.716 6.225 1.00 1.00 H new ATOM 0 HD22 LEU A 16 109.120 11.743 7.393 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.500 10.008 7.280 1.00 1.00 H new ATOM 257 N THR A 17 108.354 10.325 12.802 1.00 1.00 N ATOM 258 CA THR A 17 109.130 10.236 14.027 1.00 1.00 C ATOM 259 C THR A 17 108.720 8.998 14.802 1.00 1.00 C ATOM 260 O THR A 17 109.557 8.284 15.352 1.00 1.00 O ATOM 261 CB THR A 17 108.955 11.481 14.899 1.00 1.00 C ATOM 262 OG1 THR A 17 109.151 12.647 14.117 1.00 1.00 O ATOM 263 CG2 THR A 17 109.968 11.449 16.032 1.00 1.00 C ATOM 0 H THR A 17 107.764 11.153 12.725 1.00 1.00 H new ATOM 0 HA THR A 17 110.183 10.168 13.755 1.00 1.00 H new ATOM 0 HB THR A 17 107.946 11.494 15.312 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.354 12.813 13.571 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.845 12.335 16.655 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.810 10.556 16.636 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.976 11.433 15.618 1.00 1.00 H new ATOM 271 N GLU A 18 107.421 8.756 14.849 1.00 1.00 N ATOM 272 CA GLU A 18 106.896 7.611 15.556 1.00 1.00 C ATOM 273 C GLU A 18 107.123 6.315 14.785 1.00 1.00 C ATOM 274 O GLU A 18 107.506 5.302 15.367 1.00 1.00 O ATOM 275 CB GLU A 18 105.405 7.811 15.826 1.00 1.00 C ATOM 276 CG GLU A 18 104.854 6.638 16.642 1.00 1.00 C ATOM 277 CD GLU A 18 103.373 6.851 16.936 1.00 1.00 C ATOM 278 OE1 GLU A 18 102.724 5.892 17.322 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.909 7.968 16.772 1.00 1.00 O ATOM 0 H GLU A 18 106.714 9.341 14.404 1.00 1.00 H new ATOM 0 HA GLU A 18 107.431 7.526 16.502 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.248 8.745 16.366 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.865 7.893 14.883 1.00 1.00 H new ATOM 0 HG2 GLU A 18 104.993 5.707 16.093 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.408 6.543 17.576 1.00 1.00 H new ATOM 286 N ASN A 19 106.844 6.332 13.485 1.00 1.00 N ATOM 287 CA ASN A 19 106.983 5.122 12.678 1.00 1.00 C ATOM 288 C ASN A 19 108.403 4.591 12.638 1.00 1.00 C ATOM 289 O ASN A 19 108.619 3.388 12.781 1.00 1.00 O ATOM 290 CB ASN A 19 106.516 5.387 11.256 1.00 1.00 C ATOM 291 CG ASN A 19 106.575 4.100 10.457 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.009 3.084 10.862 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.235 4.084 9.345 1.00 1.00 N ATOM 0 H ASN A 19 106.525 7.155 12.974 1.00 1.00 H new ATOM 0 HA ASN A 19 106.362 4.363 13.154 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.498 5.777 11.263 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.145 6.146 10.791 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.289 3.226 8.797 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.701 4.930 9.016 1.00 1.00 H new ATOM 300 N LYS A 20 109.371 5.464 12.449 1.00 1.00 N ATOM 301 CA LYS A 20 110.748 5.000 12.405 1.00 1.00 C ATOM 302 C LYS A 20 111.075 4.325 13.730 1.00 1.00 C ATOM 303 O LYS A 20 111.807 3.337 13.781 1.00 1.00 O ATOM 304 CB LYS A 20 111.711 6.162 12.144 1.00 1.00 C ATOM 305 CG LYS A 20 111.639 7.150 13.304 1.00 1.00 C ATOM 306 CD LYS A 20 112.372 8.447 12.932 1.00 1.00 C ATOM 307 CE LYS A 20 113.872 8.191 12.822 1.00 1.00 C ATOM 308 NZ LYS A 20 114.606 9.488 12.884 1.00 1.00 N ATOM 0 H LYS A 20 109.241 6.468 12.327 1.00 1.00 H new ATOM 0 HA LYS A 20 110.864 4.289 11.587 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.729 5.788 12.033 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.452 6.661 11.210 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.598 7.366 13.545 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.088 6.711 14.195 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.991 8.830 11.986 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.180 9.211 13.686 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.200 7.537 13.630 1.00 1.00 H new ATOM 0 HE3 LYS A 20 114.096 7.679 11.886 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.628 9.312 12.809 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 114.301 10.097 12.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.401 9.960 13.788 1.00 1.00 H new ATOM 322 N ASN A 21 110.493 4.863 14.797 1.00 1.00 N ATOM 323 CA ASN A 21 110.683 4.318 16.135 1.00 1.00 C ATOM 324 C ASN A 21 109.965 2.988 16.316 1.00 1.00 C ATOM 325 O ASN A 21 110.448 2.106 17.026 1.00 1.00 O ATOM 326 CB ASN A 21 110.194 5.312 17.187 1.00 1.00 C ATOM 327 CG ASN A 21 110.989 6.611 17.091 1.00 1.00 C ATOM 328 OD1 ASN A 21 110.512 7.666 17.507 1.00 1.00 O ATOM 329 ND2 ASN A 21 112.181 6.592 16.562 1.00 1.00 N ATOM 0 H ASN A 21 109.883 5.680 14.760 1.00 1.00 H new ATOM 0 HA ASN A 21 111.751 4.143 16.263 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.133 5.514 17.042 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.303 4.883 18.183 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.722 7.454 16.492 1.00 1.00 H new ATOM 0 HD22 ASN A 21 112.573 5.715 16.218 1.00 1.00 H new ATOM 336 N LYS A 22 108.795 2.861 15.704 1.00 1.00 N ATOM 337 CA LYS A 22 108.009 1.650 15.845 1.00 1.00 C ATOM 338 C LYS A 22 108.816 0.397 15.434 1.00 1.00 C ATOM 339 O LYS A 22 109.491 0.417 14.405 1.00 1.00 O ATOM 340 CB LYS A 22 106.741 1.773 14.993 1.00 1.00 C ATOM 341 CG LYS A 22 105.683 2.668 15.687 1.00 1.00 C ATOM 342 CD LYS A 22 104.271 2.248 15.259 1.00 1.00 C ATOM 343 CE LYS A 22 104.105 2.484 13.760 1.00 1.00 C ATOM 344 NZ LYS A 22 102.746 2.040 13.338 1.00 1.00 N ATOM 0 H LYS A 22 108.375 3.577 15.111 1.00 1.00 H new ATOM 0 HA LYS A 22 107.739 1.531 16.894 1.00 1.00 H new ATOM 0 HB2 LYS A 22 106.994 2.193 14.019 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.322 0.783 14.814 1.00 1.00 H new ATOM 0 HG2 LYS A 22 105.782 2.588 16.770 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.854 3.713 15.428 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.106 1.196 15.493 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.526 2.819 15.813 1.00 1.00 H new ATOM 0 HE2 LYS A 22 104.243 3.540 13.529 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.867 1.935 13.207 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.630 2.200 12.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 102.632 1.027 13.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 102.027 2.583 13.857 1.00 1.00 H new ATOM 358 N PRO A 23 108.766 -0.696 16.197 1.00 1.00 N ATOM 359 CA PRO A 23 109.519 -1.949 15.851 1.00 1.00 C ATOM 360 C PRO A 23 109.180 -2.506 14.465 1.00 1.00 C ATOM 361 O PRO A 23 108.053 -2.386 13.983 1.00 1.00 O ATOM 362 CB PRO A 23 109.121 -2.959 16.940 1.00 1.00 C ATOM 363 CG PRO A 23 108.626 -2.134 18.077 1.00 1.00 C ATOM 364 CD PRO A 23 108.016 -0.872 17.465 1.00 1.00 C ATOM 0 HA PRO A 23 110.589 -1.746 15.814 1.00 1.00 H new ATOM 0 HB2 PRO A 23 108.349 -3.640 16.582 1.00 1.00 H new ATOM 0 HB3 PRO A 23 109.972 -3.571 17.239 1.00 1.00 H new ATOM 0 HG2 PRO A 23 107.884 -2.681 18.659 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.440 -1.881 18.756 1.00 1.00 H new ATOM 0 HD2 PRO A 23 106.948 -0.991 17.285 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.134 -0.011 18.123 1.00 1.00 H new ATOM 372 N GLY A 24 110.176 -3.133 13.850 1.00 1.00 N ATOM 373 CA GLY A 24 110.020 -3.740 12.533 1.00 1.00 C ATOM 374 C GLY A 24 110.235 -2.719 11.436 1.00 1.00 C ATOM 375 O GLY A 24 110.515 -3.078 10.298 1.00 1.00 O ATOM 0 H GLY A 24 111.110 -3.235 14.247 1.00 1.00 H new ATOM 0 HA2 GLY A 24 110.732 -4.557 12.419 1.00 1.00 H new ATOM 0 HA3 GLY A 24 109.023 -4.171 12.443 1.00 1.00 H new ATOM 379 N VAL A 25 110.117 -1.448 11.786 1.00 1.00 N ATOM 380 CA VAL A 25 110.304 -0.381 10.812 1.00 1.00 C ATOM 381 C VAL A 25 111.782 -0.036 10.689 1.00 1.00 C ATOM 382 O VAL A 25 112.486 0.111 11.686 1.00 1.00 O ATOM 383 CB VAL A 25 109.529 0.873 11.248 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.654 1.980 10.197 1.00 1.00 C ATOM 385 CG2 VAL A 25 108.052 0.541 11.461 1.00 1.00 C ATOM 0 H VAL A 25 109.894 -1.130 12.729 1.00 1.00 H new ATOM 0 HA VAL A 25 109.930 -0.724 9.847 1.00 1.00 H new ATOM 0 HB VAL A 25 109.959 1.223 12.186 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.098 2.858 10.526 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.704 2.242 10.068 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.249 1.628 9.248 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.518 1.440 11.769 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.625 0.167 10.530 1.00 1.00 H new ATOM 0 HG23 VAL A 25 107.958 -0.220 12.235 1.00 1.00 H new ATOM 389 N VAL A 26 112.229 0.128 9.451 1.00 1.00 N ATOM 390 CA VAL A 26 113.613 0.503 9.172 1.00 1.00 C ATOM 391 C VAL A 26 113.593 1.819 8.419 1.00 1.00 C ATOM 392 O VAL A 26 112.968 1.924 7.368 1.00 1.00 O ATOM 393 CB VAL A 26 114.295 -0.576 8.331 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.667 -0.100 7.877 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.439 -1.846 9.154 1.00 1.00 C ATOM 0 H VAL A 26 111.652 0.007 8.619 1.00 1.00 H new ATOM 0 HA VAL A 26 114.172 0.606 10.102 1.00 1.00 H new ATOM 0 HB VAL A 26 113.685 -0.779 7.451 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.142 -0.877 7.279 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.559 0.804 7.277 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.284 0.115 8.749 1.00 1.00 H new ATOM 0 HG21 VAL A 26 114.925 -2.615 8.554 1.00 1.00 H new ATOM 0 HG22 VAL A 26 115.042 -1.640 10.038 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.453 -2.195 9.461 1.00 1.00 H new ATOM 399 N VAL A 27 114.245 2.837 8.974 1.00 1.00 N ATOM 400 CA VAL A 27 114.249 4.160 8.350 1.00 1.00 C ATOM 401 C VAL A 27 115.478 4.373 7.502 1.00 1.00 C ATOM 402 O VAL A 27 116.566 3.886 7.808 1.00 1.00 O ATOM 403 CB VAL A 27 114.116 5.256 9.418 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.195 5.075 10.454 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.204 6.664 8.808 1.00 1.00 C ATOM 0 H VAL A 27 114.772 2.775 9.845 1.00 1.00 H new ATOM 0 HA VAL A 27 113.387 4.219 7.685 1.00 1.00 H new ATOM 0 HB VAL A 27 113.133 5.162 9.880 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.104 5.851 11.214 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.090 4.096 10.921 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.173 5.147 9.977 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.105 7.409 9.597 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.167 6.786 8.312 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.402 6.797 8.082 1.00 1.00 H new ATOM 409 N LEU A 28 115.275 5.114 6.412 1.00 1.00 N ATOM 410 CA LEU A 28 116.357 5.410 5.476 1.00 1.00 C ATOM 411 C LEU A 28 116.699 6.896 5.510 1.00 1.00 C ATOM 412 O LEU A 28 115.920 7.696 6.025 1.00 1.00 O ATOM 413 CB LEU A 28 115.934 5.029 4.054 1.00 1.00 C ATOM 414 CG LEU A 28 115.623 3.536 3.948 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.074 3.267 2.543 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.904 2.720 4.157 1.00 1.00 C ATOM 0 H LEU A 28 114.374 5.518 6.157 1.00 1.00 H new ATOM 0 HA LEU A 28 117.233 4.832 5.769 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.056 5.607 3.766 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.729 5.288 3.354 1.00 1.00 H new ATOM 0 HG LEU A 28 114.896 3.249 4.708 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.843 2.207 2.439 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.168 3.853 2.388 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.820 3.550 1.800 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.675 1.657 4.080 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.635 2.990 3.395 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.314 2.932 5.145 1.00 1.00 H new ATOM 428 N PRO A 29 117.839 7.294 4.982 1.00 1.00 N ATOM 429 CA PRO A 29 118.240 8.719 4.984 1.00 1.00 C ATOM 430 C PRO A 29 117.250 9.575 4.202 1.00 1.00 C ATOM 431 O PRO A 29 117.047 10.749 4.511 1.00 1.00 O ATOM 432 CB PRO A 29 119.636 8.728 4.339 1.00 1.00 C ATOM 433 CG PRO A 29 120.113 7.320 4.452 1.00 1.00 C ATOM 434 CD PRO A 29 118.864 6.467 4.326 1.00 1.00 C ATOM 0 HA PRO A 29 118.253 9.144 5.988 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.589 9.048 3.298 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.306 9.416 4.854 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.832 7.084 3.668 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.613 7.149 5.405 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.615 6.265 3.284 1.00 1.00 H new ATOM 0 HD3 PRO A 29 118.982 5.502 4.819 1.00 1.00 H new ATOM 442 N SER A 30 116.637 8.973 3.183 1.00 1.00 N ATOM 443 CA SER A 30 115.678 9.692 2.364 1.00 1.00 C ATOM 444 C SER A 30 114.422 9.980 3.170 1.00 1.00 C ATOM 445 O SER A 30 113.556 10.744 2.746 1.00 1.00 O ATOM 446 CB SER A 30 115.323 8.867 1.125 1.00 1.00 C ATOM 447 OG SER A 30 116.518 8.356 0.549 1.00 1.00 O ATOM 0 H SER A 30 116.789 8.001 2.912 1.00 1.00 H new ATOM 0 HA SER A 30 116.122 10.635 2.046 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.656 8.048 1.396 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.791 9.485 0.402 1.00 1.00 H new ATOM 0 HG SER A 30 116.298 7.825 -0.245 1.00 1.00 H new ATOM 453 N GLY A 31 114.336 9.354 4.341 1.00 1.00 N ATOM 454 CA GLY A 31 113.189 9.531 5.222 1.00 1.00 C ATOM 455 C GLY A 31 112.155 8.449 4.962 1.00 1.00 C ATOM 456 O GLY A 31 111.132 8.374 5.641 1.00 1.00 O ATOM 0 H GLY A 31 115.049 8.719 4.701 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.511 9.493 6.263 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.746 10.514 5.061 1.00 1.00 H new ATOM 460 N LEU A 32 112.432 7.597 3.977 1.00 1.00 N ATOM 461 CA LEU A 32 111.510 6.518 3.648 1.00 1.00 C ATOM 462 C LEU A 32 111.699 5.395 4.653 1.00 1.00 C ATOM 463 O LEU A 32 112.828 5.007 4.955 1.00 1.00 O ATOM 464 CB LEU A 32 111.773 6.018 2.203 1.00 1.00 C ATOM 465 CG LEU A 32 110.757 4.944 1.703 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.168 3.534 2.115 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.342 5.239 2.195 1.00 1.00 C ATOM 0 H LEU A 32 113.274 7.633 3.402 1.00 1.00 H new ATOM 0 HA LEU A 32 110.481 6.874 3.697 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.746 6.871 1.525 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.779 5.602 2.152 1.00 1.00 H new ATOM 0 HG LEU A 32 110.765 4.995 0.614 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.433 2.818 1.746 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.145 3.301 1.691 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.220 3.473 3.202 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.662 4.471 1.828 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.329 5.244 3.285 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.024 6.213 1.824 1.00 1.00 H new ATOM 479 N GLN A 33 110.592 4.881 5.180 1.00 1.00 N ATOM 480 CA GLN A 33 110.636 3.810 6.165 1.00 1.00 C ATOM 481 C GLN A 33 109.845 2.607 5.694 1.00 1.00 C ATOM 482 O GLN A 33 108.763 2.752 5.135 1.00 1.00 O ATOM 483 CB GLN A 33 110.033 4.318 7.473 1.00 1.00 C ATOM 484 CG GLN A 33 110.876 5.472 8.032 1.00 1.00 C ATOM 485 CD GLN A 33 110.223 6.823 7.822 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.240 6.951 7.090 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.740 7.851 8.418 1.00 1.00 N ATOM 0 H GLN A 33 109.651 5.192 4.939 1.00 1.00 H new ATOM 0 HA GLN A 33 111.674 3.510 6.309 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.010 4.654 7.304 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.986 3.507 8.200 1.00 1.00 H new ATOM 0 HG2 GLN A 33 111.041 5.314 9.098 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.855 5.467 7.553 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.554 7.735 9.022 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.333 8.777 8.283 1.00 1.00 H new ATOM 496 N TYR A 34 110.385 1.414 5.939 1.00 1.00 N ATOM 497 CA TYR A 34 109.704 0.183 5.553 1.00 1.00 C ATOM 498 C TYR A 34 109.760 -0.833 6.663 1.00 1.00 C ATOM 499 O TYR A 34 110.753 -0.952 7.381 1.00 1.00 O ATOM 500 CB TYR A 34 110.302 -0.404 4.274 1.00 1.00 C ATOM 501 CG TYR A 34 111.746 -0.763 4.499 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.056 -1.948 5.160 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.768 0.073 4.036 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.390 -2.310 5.365 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.105 -0.285 4.244 1.00 1.00 C ATOM 506 CZ TYR A 34 114.416 -1.478 4.909 1.00 1.00 C ATOM 507 OH TYR A 34 115.733 -1.841 5.107 1.00 1.00 O ATOM 0 H TYR A 34 111.285 1.276 6.399 1.00 1.00 H new ATOM 0 HA TYR A 34 108.661 0.433 5.360 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.741 -1.289 3.973 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.220 0.317 3.460 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.263 -2.590 5.515 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.526 0.991 3.520 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.628 -3.232 5.875 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.897 0.359 3.892 1.00 1.00 H new ATOM 0 HH TYR A 34 116.322 -1.154 4.730 1.00 1.00 H new ATOM 517 N LYS A 35 108.665 -1.570 6.794 1.00 1.00 N ATOM 518 CA LYS A 35 108.542 -2.596 7.805 1.00 1.00 C ATOM 519 C LYS A 35 108.149 -3.890 7.150 1.00 1.00 C ATOM 520 O LYS A 35 107.252 -3.921 6.312 1.00 1.00 O ATOM 521 CB LYS A 35 107.488 -2.186 8.828 1.00 1.00 C ATOM 522 CG LYS A 35 107.406 -3.202 9.969 1.00 1.00 C ATOM 523 CD LYS A 35 106.211 -4.127 9.785 1.00 1.00 C ATOM 524 CE LYS A 35 106.114 -5.045 10.996 1.00 1.00 C ATOM 525 NZ LYS A 35 105.875 -4.231 12.220 1.00 1.00 N ATOM 0 H LYS A 35 107.842 -1.469 6.200 1.00 1.00 H new ATOM 0 HA LYS A 35 109.496 -2.725 8.316 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.729 -1.202 9.229 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.517 -2.102 8.341 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.324 -3.789 10.006 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.324 -2.679 10.922 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.296 -3.545 9.678 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.324 -4.714 8.874 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.304 -5.761 10.859 1.00 1.00 H new ATOM 0 HE3 LYS A 35 107.033 -5.621 11.103 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 105.152 -4.692 12.808 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 106.760 -4.149 12.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.546 -3.283 11.948 1.00 1.00 H new ATOM 539 N VAL A 36 108.838 -4.954 7.516 1.00 1.00 N ATOM 540 CA VAL A 36 108.565 -6.258 6.924 1.00 1.00 C ATOM 541 C VAL A 36 107.506 -7.029 7.708 1.00 1.00 C ATOM 542 O VAL A 36 107.759 -7.591 8.770 1.00 1.00 O ATOM 543 CB VAL A 36 109.875 -7.055 6.802 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.632 -7.049 8.129 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.583 -8.500 6.368 1.00 1.00 C ATOM 0 H VAL A 36 109.584 -4.947 8.212 1.00 1.00 H new ATOM 0 HA VAL A 36 108.155 -6.105 5.926 1.00 1.00 H new ATOM 0 HB VAL A 36 110.497 -6.579 6.044 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.556 -7.618 8.023 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.868 -6.022 8.409 1.00 1.00 H new ATOM 0 HG13 VAL A 36 110.013 -7.503 8.903 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.520 -9.052 6.286 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.943 -8.980 7.108 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.079 -8.495 5.401 1.00 1.00 H new ATOM 549 N ILE A 37 106.309 -7.071 7.143 1.00 1.00 N ATOM 550 CA ILE A 37 105.218 -7.799 7.761 1.00 1.00 C ATOM 551 C ILE A 37 105.528 -9.283 7.662 1.00 1.00 C ATOM 552 O ILE A 37 105.321 -10.051 8.602 1.00 1.00 O ATOM 553 CB ILE A 37 103.902 -7.501 7.036 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.759 -5.995 6.747 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.755 -7.964 7.910 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.676 -5.156 8.019 1.00 1.00 C ATOM 0 H ILE A 37 106.072 -6.612 6.263 1.00 1.00 H new ATOM 0 HA ILE A 37 105.113 -7.496 8.803 1.00 1.00 H new ATOM 0 HB ILE A 37 103.892 -8.029 6.082 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.609 -5.661 6.151 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.864 -5.828 6.147 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.809 -7.759 7.408 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.845 -9.035 8.091 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.784 -7.432 8.861 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.576 -4.103 7.755 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.810 -5.467 8.604 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.582 -5.298 8.608 1.00 1.00 H new ATOM 563 N ASN A 38 106.031 -9.665 6.495 1.00 1.00 N ATOM 564 CA ASN A 38 106.385 -11.049 6.217 1.00 1.00 C ATOM 565 C ASN A 38 107.650 -11.098 5.378 1.00 1.00 C ATOM 566 O ASN A 38 107.740 -10.433 4.351 1.00 1.00 O ATOM 567 CB ASN A 38 105.250 -11.714 5.442 1.00 1.00 C ATOM 568 CG ASN A 38 103.981 -11.746 6.286 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.644 -12.784 6.857 1.00 1.00 O ATOM 570 ND2 ASN A 38 103.258 -10.669 6.409 1.00 1.00 N ATOM 0 H ASN A 38 106.204 -9.027 5.718 1.00 1.00 H new ATOM 0 HA ASN A 38 106.552 -11.572 7.158 1.00 1.00 H new ATOM 0 HB2 ASN A 38 105.065 -11.170 4.516 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.536 -12.728 5.164 1.00 1.00 H new ATOM 0 HD21 ASN A 38 102.412 -10.685 6.979 1.00 1.00 H new ATOM 0 HD22 ASN A 38 103.538 -9.810 5.936 1.00 1.00 H new ATOM 577 N SER A 39 108.619 -11.895 5.804 1.00 1.00 N ATOM 578 CA SER A 39 109.863 -12.029 5.053 1.00 1.00 C ATOM 579 C SER A 39 109.723 -13.138 4.018 1.00 1.00 C ATOM 580 O SER A 39 109.279 -14.241 4.334 1.00 1.00 O ATOM 581 CB SER A 39 111.021 -12.354 5.991 1.00 1.00 C ATOM 582 OG SER A 39 111.077 -13.759 6.196 1.00 1.00 O ATOM 0 H SER A 39 108.572 -12.454 6.656 1.00 1.00 H new ATOM 0 HA SER A 39 110.069 -11.083 4.552 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.960 -11.999 5.566 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.888 -11.841 6.943 1.00 1.00 H new ATOM 0 HG SER A 39 111.821 -13.972 6.797 1.00 1.00 H new ATOM 588 N GLY A 40 110.112 -12.841 2.780 1.00 1.00 N ATOM 589 CA GLY A 40 110.039 -13.809 1.693 1.00 1.00 C ATOM 590 C GLY A 40 111.424 -14.056 1.122 1.00 1.00 C ATOM 591 O GLY A 40 111.746 -15.161 0.684 1.00 1.00 O ATOM 0 H GLY A 40 110.483 -11.931 2.506 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.615 -14.745 2.057 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.375 -13.440 0.911 1.00 1.00 H new ATOM 595 N ASN A 41 112.240 -13.010 1.137 1.00 1.00 N ATOM 596 CA ASN A 41 113.599 -13.100 0.630 1.00 1.00 C ATOM 597 C ASN A 41 113.613 -13.619 -0.804 1.00 1.00 C ATOM 598 O ASN A 41 114.559 -14.282 -1.225 1.00 1.00 O ATOM 599 CB ASN A 41 114.403 -14.030 1.532 1.00 1.00 C ATOM 600 CG ASN A 41 114.259 -13.576 2.981 1.00 1.00 C ATOM 601 OD1 ASN A 41 114.815 -14.196 3.887 1.00 1.00 O ATOM 602 ND2 ASN A 41 113.530 -12.524 3.255 1.00 1.00 N ATOM 0 H ASN A 41 111.983 -12.090 1.495 1.00 1.00 H new ATOM 0 HA ASN A 41 114.045 -12.106 0.630 1.00 1.00 H new ATOM 0 HB2 ASN A 41 114.050 -15.055 1.423 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.453 -14.022 1.239 1.00 1.00 H new ATOM 0 HD21 ASN A 41 113.422 -12.216 4.221 1.00 1.00 H new ATOM 0 HD22 ASN A 41 113.070 -12.012 2.502 1.00 1.00 H new ATOM 609 N GLY A 42 112.555 -13.307 -1.549 1.00 1.00 N ATOM 610 CA GLY A 42 112.444 -13.736 -2.936 1.00 1.00 C ATOM 611 C GLY A 42 113.013 -12.709 -3.894 1.00 1.00 C ATOM 612 O GLY A 42 113.753 -11.803 -3.512 1.00 1.00 O ATOM 0 H GLY A 42 111.764 -12.758 -1.213 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.968 -14.683 -3.066 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.396 -13.916 -3.177 1.00 1.00 H new ATOM 616 N VAL A 43 112.617 -12.865 -5.141 1.00 1.00 N ATOM 617 CA VAL A 43 113.020 -11.972 -6.204 1.00 1.00 C ATOM 618 C VAL A 43 112.370 -10.618 -5.989 1.00 1.00 C ATOM 619 O VAL A 43 111.646 -10.432 -5.023 1.00 1.00 O ATOM 620 CB VAL A 43 112.641 -12.554 -7.571 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.278 -13.926 -7.721 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.125 -12.689 -7.719 1.00 1.00 C ATOM 0 H VAL A 43 112.003 -13.620 -5.445 1.00 1.00 H new ATOM 0 HA VAL A 43 114.103 -11.853 -6.188 1.00 1.00 H new ATOM 0 HB VAL A 43 113.002 -11.875 -8.344 1.00 1.00 H new ATOM 0 HG11 VAL A 43 113.013 -14.346 -8.691 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.362 -13.834 -7.650 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.917 -14.583 -6.930 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.891 -13.104 -8.699 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.741 -13.351 -6.943 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.661 -11.708 -7.621 1.00 1.00 H new ATOM 626 N LYS A 44 112.624 -9.698 -6.903 1.00 1.00 N ATOM 627 CA LYS A 44 112.063 -8.348 -6.832 1.00 1.00 C ATOM 628 C LYS A 44 112.610 -7.492 -7.984 1.00 1.00 C ATOM 629 O LYS A 44 113.644 -7.809 -8.570 1.00 1.00 O ATOM 630 CB LYS A 44 112.345 -7.660 -5.457 1.00 1.00 C ATOM 631 CG LYS A 44 113.826 -7.229 -5.278 1.00 1.00 C ATOM 632 CD LYS A 44 114.652 -8.349 -4.599 1.00 1.00 C ATOM 633 CE LYS A 44 114.674 -8.171 -3.074 1.00 1.00 C ATOM 634 NZ LYS A 44 115.011 -9.478 -2.455 1.00 1.00 N ATOM 0 H LYS A 44 113.221 -9.858 -7.714 1.00 1.00 H new ATOM 0 HA LYS A 44 110.981 -8.436 -6.927 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.704 -6.784 -5.359 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.073 -8.345 -4.654 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.259 -6.991 -6.250 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.874 -6.321 -4.677 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.227 -9.321 -4.849 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.672 -8.338 -4.984 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.408 -7.417 -2.791 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.704 -7.822 -2.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 114.997 -9.385 -1.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.313 -10.191 -2.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 115.959 -9.774 -2.764 1.00 1.00 H new ATOM 648 N PRO A 45 111.868 -6.474 -8.377 1.00 1.00 N ATOM 649 CA PRO A 45 112.201 -5.618 -9.561 1.00 1.00 C ATOM 650 C PRO A 45 113.123 -4.425 -9.316 1.00 1.00 C ATOM 651 O PRO A 45 113.142 -3.850 -8.241 1.00 1.00 O ATOM 652 CB PRO A 45 110.813 -5.139 -10.018 1.00 1.00 C ATOM 653 CG PRO A 45 109.930 -5.169 -8.801 1.00 1.00 C ATOM 654 CD PRO A 45 110.626 -6.001 -7.726 1.00 1.00 C ATOM 0 HA PRO A 45 112.778 -6.195 -10.284 1.00 1.00 H new ATOM 0 HB2 PRO A 45 110.867 -4.133 -10.434 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.417 -5.786 -10.801 1.00 1.00 H new ATOM 0 HG2 PRO A 45 109.747 -4.157 -8.439 1.00 1.00 H new ATOM 0 HG3 PRO A 45 108.959 -5.600 -9.046 1.00 1.00 H new ATOM 0 HD2 PRO A 45 110.844 -5.404 -6.840 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.003 -6.835 -7.403 1.00 1.00 H new ATOM 662 N GLY A 46 113.815 -4.022 -10.388 1.00 1.00 N ATOM 663 CA GLY A 46 114.674 -2.849 -10.366 1.00 1.00 C ATOM 664 C GLY A 46 113.845 -1.620 -10.681 1.00 1.00 C ATOM 665 O GLY A 46 112.652 -1.718 -10.958 1.00 1.00 O ATOM 0 H GLY A 46 113.791 -4.502 -11.288 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.143 -2.745 -9.388 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.477 -2.958 -11.095 1.00 1.00 H new ATOM 669 N LYS A 47 114.479 -0.470 -10.641 1.00 1.00 N ATOM 670 CA LYS A 47 113.786 0.775 -10.919 1.00 1.00 C ATOM 671 C LYS A 47 113.064 0.723 -12.246 1.00 1.00 C ATOM 672 O LYS A 47 112.118 1.472 -12.469 1.00 1.00 O ATOM 673 CB LYS A 47 114.765 1.963 -10.929 1.00 1.00 C ATOM 674 CG LYS A 47 115.781 1.842 -12.091 1.00 1.00 C ATOM 675 CD LYS A 47 116.945 0.876 -11.724 1.00 1.00 C ATOM 676 CE LYS A 47 116.978 -0.330 -12.662 1.00 1.00 C ATOM 677 NZ LYS A 47 117.106 0.136 -14.072 1.00 1.00 N ATOM 0 H LYS A 47 115.469 -0.367 -10.420 1.00 1.00 H new ATOM 0 HA LYS A 47 113.055 0.913 -10.122 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.208 2.895 -11.025 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.298 2.006 -9.979 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.273 1.480 -12.985 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.184 2.826 -12.329 1.00 1.00 H new ATOM 0 HD2 LYS A 47 117.894 1.409 -11.779 1.00 1.00 H new ATOM 0 HD3 LYS A 47 116.829 0.537 -10.695 1.00 1.00 H new ATOM 0 HE2 LYS A 47 117.815 -0.980 -12.406 1.00 1.00 H new ATOM 0 HE3 LYS A 47 116.069 -0.920 -12.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 117.414 -0.655 -14.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 116.186 0.487 -14.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 117.807 0.902 -14.122 1.00 1.00 H new ATOM 691 N SER A 48 113.551 -0.123 -13.145 1.00 1.00 N ATOM 692 CA SER A 48 112.971 -0.204 -14.493 1.00 1.00 C ATOM 693 C SER A 48 112.174 -1.485 -14.718 1.00 1.00 C ATOM 694 O SER A 48 111.536 -1.650 -15.758 1.00 1.00 O ATOM 695 CB SER A 48 114.095 -0.123 -15.518 1.00 1.00 C ATOM 696 OG SER A 48 114.704 1.159 -15.451 1.00 1.00 O ATOM 0 H SER A 48 114.333 -0.756 -12.976 1.00 1.00 H new ATOM 0 HA SER A 48 112.277 0.629 -14.603 1.00 1.00 H new ATOM 0 HB2 SER A 48 114.835 -0.900 -15.325 1.00 1.00 H new ATOM 0 HB3 SER A 48 113.702 -0.299 -16.519 1.00 1.00 H new ATOM 0 HG SER A 48 115.428 1.212 -16.109 1.00 1.00 H new ATOM 702 N ASP A 49 112.194 -2.377 -13.746 1.00 1.00 N ATOM 703 CA ASP A 49 111.449 -3.628 -13.857 1.00 1.00 C ATOM 704 C ASP A 49 110.010 -3.380 -13.446 1.00 1.00 C ATOM 705 O ASP A 49 109.712 -2.354 -12.836 1.00 1.00 O ATOM 706 CB ASP A 49 112.068 -4.651 -12.940 1.00 1.00 C ATOM 707 CG ASP A 49 113.431 -5.088 -13.465 1.00 1.00 C ATOM 708 OD1 ASP A 49 114.354 -5.159 -12.671 1.00 1.00 O ATOM 709 OD2 ASP A 49 113.530 -5.355 -14.651 1.00 1.00 O ATOM 0 H ASP A 49 112.712 -2.265 -12.875 1.00 1.00 H new ATOM 0 HA ASP A 49 111.479 -3.994 -14.883 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.175 -4.233 -11.939 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.411 -5.516 -12.855 1.00 1.00 H new ATOM 714 N THR A 50 109.117 -4.316 -13.763 1.00 1.00 N ATOM 715 CA THR A 50 107.706 -4.167 -13.393 1.00 1.00 C ATOM 716 C THR A 50 107.376 -5.110 -12.248 1.00 1.00 C ATOM 717 O THR A 50 108.022 -6.142 -12.071 1.00 1.00 O ATOM 718 CB THR A 50 106.808 -4.384 -14.619 1.00 1.00 C ATOM 719 OG1 THR A 50 107.312 -3.625 -15.707 1.00 1.00 O ATOM 720 CG2 THR A 50 105.381 -3.941 -14.321 1.00 1.00 C ATOM 0 H THR A 50 109.338 -5.174 -14.268 1.00 1.00 H new ATOM 0 HA THR A 50 107.518 -3.152 -13.043 1.00 1.00 H new ATOM 0 HB THR A 50 106.804 -5.445 -14.869 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.743 -3.762 -16.493 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.759 -4.102 -15.201 1.00 1.00 H new ATOM 0 HG22 THR A 50 104.987 -4.521 -13.487 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.375 -2.882 -14.062 1.00 1.00 H new ATOM 728 N VAL A 51 106.416 -4.711 -11.419 1.00 1.00 N ATOM 729 CA VAL A 51 106.061 -5.493 -10.235 1.00 1.00 C ATOM 730 C VAL A 51 104.567 -5.744 -10.147 1.00 1.00 C ATOM 731 O VAL A 51 103.793 -5.042 -10.777 1.00 1.00 O ATOM 732 CB VAL A 51 106.530 -4.728 -8.991 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.627 -3.538 -8.680 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.582 -5.679 -7.797 1.00 1.00 C ATOM 0 H VAL A 51 105.872 -3.857 -11.542 1.00 1.00 H new ATOM 0 HA VAL A 51 106.549 -6.465 -10.302 1.00 1.00 H new ATOM 0 HB VAL A 51 107.526 -4.334 -9.192 1.00 1.00 H new ATOM 0 HG11 VAL A 51 105.995 -3.024 -7.792 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.629 -2.849 -9.525 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.611 -3.889 -8.501 1.00 1.00 H new ATOM 0 HG21 VAL A 51 106.915 -5.135 -6.913 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.589 -6.091 -7.617 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.279 -6.490 -8.008 1.00 1.00 H new ATOM 738 N THR A 52 104.173 -6.722 -9.325 1.00 1.00 N ATOM 739 CA THR A 52 102.752 -7.025 -9.119 1.00 1.00 C ATOM 740 C THR A 52 102.482 -7.089 -7.615 1.00 1.00 C ATOM 741 O THR A 52 103.105 -7.886 -6.916 1.00 1.00 O ATOM 742 CB THR A 52 102.428 -8.363 -9.777 1.00 1.00 C ATOM 743 OG1 THR A 52 102.681 -8.278 -11.173 1.00 1.00 O ATOM 744 CG2 THR A 52 100.968 -8.724 -9.538 1.00 1.00 C ATOM 0 H THR A 52 104.812 -7.314 -8.795 1.00 1.00 H new ATOM 0 HA THR A 52 102.124 -6.253 -9.565 1.00 1.00 H new ATOM 0 HB THR A 52 103.058 -9.138 -9.340 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.021 -9.138 -11.497 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.747 -9.681 -10.012 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.782 -8.798 -8.467 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.328 -7.952 -9.964 1.00 1.00 H new ATOM 752 N VAL A 53 101.589 -6.220 -7.109 1.00 1.00 N ATOM 753 CA VAL A 53 101.325 -6.177 -5.660 1.00 1.00 C ATOM 754 C VAL A 53 99.886 -5.789 -5.275 1.00 1.00 C ATOM 755 O VAL A 53 99.160 -5.180 -6.060 1.00 1.00 O ATOM 756 CB VAL A 53 102.260 -5.123 -5.037 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.688 -5.346 -5.523 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.828 -3.679 -5.443 1.00 1.00 C ATOM 0 H VAL A 53 101.051 -5.555 -7.664 1.00 1.00 H new ATOM 0 HA VAL A 53 101.491 -7.190 -5.293 1.00 1.00 H new ATOM 0 HB VAL A 53 102.202 -5.227 -3.954 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.344 -4.598 -5.079 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.021 -6.341 -5.229 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.721 -5.259 -6.609 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.505 -2.955 -4.989 1.00 1.00 H new ATOM 0 HG22 VAL A 53 101.865 -3.580 -6.528 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.812 -3.492 -5.096 1.00 1.00 H new ATOM 762 N GLU A 54 99.543 -6.044 -3.998 1.00 1.00 N ATOM 763 CA GLU A 54 98.238 -5.614 -3.437 1.00 1.00 C ATOM 764 C GLU A 54 98.554 -4.653 -2.278 1.00 1.00 C ATOM 765 O GLU A 54 99.580 -4.821 -1.618 1.00 1.00 O ATOM 766 CB GLU A 54 97.371 -6.772 -2.887 1.00 1.00 C ATOM 767 CG GLU A 54 97.421 -8.032 -3.774 1.00 1.00 C ATOM 768 CD GLU A 54 97.247 -9.303 -2.939 1.00 1.00 C ATOM 769 OE1 GLU A 54 96.879 -9.191 -1.781 1.00 1.00 O ATOM 770 OE2 GLU A 54 97.482 -10.373 -3.476 1.00 1.00 O ATOM 0 H GLU A 54 100.141 -6.540 -3.337 1.00 1.00 H new ATOM 0 HA GLU A 54 97.660 -5.159 -4.242 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.709 -7.027 -1.883 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.338 -6.436 -2.800 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.637 -7.980 -4.529 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.373 -8.069 -4.304 1.00 1.00 H new ATOM 777 N TYR A 55 97.734 -3.613 -2.048 1.00 1.00 N ATOM 778 CA TYR A 55 98.078 -2.662 -0.991 1.00 1.00 C ATOM 779 C TYR A 55 96.911 -1.800 -0.496 1.00 1.00 C ATOM 780 O TYR A 55 95.901 -1.642 -1.178 1.00 1.00 O ATOM 781 CB TYR A 55 99.111 -1.725 -1.589 1.00 1.00 C ATOM 782 CG TYR A 55 98.516 -1.186 -2.871 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.704 -0.043 -2.853 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.737 -1.862 -4.072 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.118 0.424 -4.036 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.156 -1.394 -5.254 1.00 1.00 C ATOM 787 CZ TYR A 55 97.346 -0.253 -5.237 1.00 1.00 C ATOM 788 OH TYR A 55 96.773 0.204 -6.406 1.00 1.00 O ATOM 0 H TYR A 55 96.870 -3.419 -2.555 1.00 1.00 H new ATOM 0 HA TYR A 55 98.420 -3.236 -0.130 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.344 -0.914 -0.899 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.044 -2.253 -1.787 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.530 0.479 -1.924 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.357 -2.746 -4.088 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.492 1.304 -4.020 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.333 -1.915 -6.184 1.00 1.00 H new ATOM 0 HH TYR A 55 96.665 1.177 -6.359 1.00 1.00 H new ATOM 798 N THR A 56 97.120 -1.172 0.682 1.00 1.00 N ATOM 799 CA THR A 56 96.144 -0.230 1.257 1.00 1.00 C ATOM 800 C THR A 56 96.855 1.078 1.578 1.00 1.00 C ATOM 801 O THR A 56 97.873 1.078 2.248 1.00 1.00 O ATOM 802 CB THR A 56 95.418 -0.801 2.499 1.00 1.00 C ATOM 803 OG1 THR A 56 94.335 -1.610 2.071 1.00 1.00 O ATOM 804 CG2 THR A 56 94.844 0.323 3.378 1.00 1.00 C ATOM 0 H THR A 56 97.957 -1.303 1.250 1.00 1.00 H new ATOM 0 HA THR A 56 95.362 -0.053 0.519 1.00 1.00 H new ATOM 0 HB THR A 56 96.142 -1.375 3.077 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.086 -2.229 2.788 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.341 -0.112 4.242 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.654 0.969 3.717 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.130 0.909 2.799 1.00 1.00 H new ATOM 812 N GLY A 57 96.316 2.199 1.096 1.00 1.00 N ATOM 813 CA GLY A 57 96.944 3.508 1.343 1.00 1.00 C ATOM 814 C GLY A 57 96.078 4.396 2.220 1.00 1.00 C ATOM 815 O GLY A 57 94.873 4.514 1.997 1.00 1.00 O ATOM 0 H GLY A 57 95.461 2.234 0.541 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.913 3.361 1.820 1.00 1.00 H new ATOM 0 HA3 GLY A 57 97.129 4.007 0.392 1.00 1.00 H new ATOM 819 N ARG A 58 96.699 5.032 3.225 1.00 1.00 N ATOM 820 CA ARG A 58 95.959 5.906 4.119 1.00 1.00 C ATOM 821 C ARG A 58 96.792 7.076 4.637 1.00 1.00 C ATOM 822 O ARG A 58 98.012 7.125 4.480 1.00 1.00 O ATOM 823 CB ARG A 58 95.394 5.101 5.295 1.00 1.00 C ATOM 824 CG ARG A 58 96.468 4.830 6.376 1.00 1.00 C ATOM 825 CD ARG A 58 95.805 4.229 7.617 1.00 1.00 C ATOM 826 NE ARG A 58 95.574 2.792 7.431 1.00 1.00 N ATOM 827 CZ ARG A 58 96.184 1.857 8.169 1.00 1.00 C ATOM 828 NH1 ARG A 58 97.025 2.183 9.114 1.00 1.00 N ATOM 829 NH2 ARG A 58 95.935 0.597 7.937 1.00 1.00 N ATOM 0 H ARG A 58 97.695 4.954 3.429 1.00 1.00 H new ATOM 0 HA ARG A 58 95.144 6.334 3.536 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.560 5.644 5.740 1.00 1.00 H new ATOM 0 HB3 ARG A 58 94.999 4.153 4.930 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.225 4.148 5.989 1.00 1.00 H new ATOM 0 HG3 ARG A 58 96.978 5.757 6.637 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.438 4.392 8.489 1.00 1.00 H new ATOM 0 HD3 ARG A 58 94.858 4.733 7.811 1.00 1.00 H new ATOM 0 HE ARG A 58 94.920 2.493 6.708 1.00 1.00 H new ATOM 0 HH11 ARG A 58 97.227 3.165 9.300 1.00 1.00 H new ATOM 0 HH12 ARG A 58 97.480 1.455 9.665 1.00 1.00 H new ATOM 0 HH21 ARG A 58 95.281 0.334 7.200 1.00 1.00 H new ATOM 0 HH22 ARG A 58 96.394 -0.124 8.493 1.00 1.00 H new ATOM 843 N LEU A 59 96.089 7.997 5.289 1.00 1.00 N ATOM 844 CA LEU A 59 96.704 9.178 5.890 1.00 1.00 C ATOM 845 C LEU A 59 97.264 8.853 7.275 1.00 1.00 C ATOM 846 O LEU A 59 96.911 7.848 7.892 1.00 1.00 O ATOM 847 CB LEU A 59 95.642 10.293 6.030 1.00 1.00 C ATOM 848 CG LEU A 59 95.707 11.303 4.866 1.00 1.00 C ATOM 849 CD1 LEU A 59 95.036 10.728 3.631 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.990 12.608 5.242 1.00 1.00 C ATOM 0 H LEU A 59 95.078 7.947 5.416 1.00 1.00 H new ATOM 0 HA LEU A 59 97.520 9.508 5.247 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.649 9.845 6.066 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.790 10.818 6.974 1.00 1.00 H new ATOM 0 HG LEU A 59 96.758 11.506 4.660 1.00 1.00 H new ATOM 0 HD11 LEU A 59 95.089 11.452 2.818 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.544 9.811 3.334 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.992 10.508 3.853 1.00 1.00 H new ATOM 0 HD21 LEU A 59 95.047 13.308 4.408 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.945 12.397 5.468 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.469 13.047 6.117 1.00 1.00 H new ATOM 862 N ILE A 60 98.118 9.745 7.758 1.00 1.00 N ATOM 863 CA ILE A 60 98.715 9.602 9.081 1.00 1.00 C ATOM 864 C ILE A 60 97.644 9.581 10.155 1.00 1.00 C ATOM 865 O ILE A 60 97.843 9.064 11.255 1.00 1.00 O ATOM 866 CB ILE A 60 99.667 10.774 9.377 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.932 12.115 9.646 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.619 10.970 8.216 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.186 12.620 8.415 1.00 1.00 C ATOM 0 H ILE A 60 98.415 10.579 7.252 1.00 1.00 H new ATOM 0 HA ILE A 60 99.267 8.662 9.088 1.00 1.00 H new ATOM 0 HB ILE A 60 100.204 10.506 10.287 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.227 11.983 10.467 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.655 12.866 9.964 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.290 11.801 8.432 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.203 10.062 8.067 1.00 1.00 H new ATOM 0 HG23 ILE A 60 100.050 11.188 7.312 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.688 13.560 8.652 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.893 12.779 7.601 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.443 11.882 8.111 1.00 1.00 H new ATOM 876 N ASP A 61 96.528 10.201 9.828 1.00 1.00 N ATOM 877 CA ASP A 61 95.407 10.331 10.756 1.00 1.00 C ATOM 878 C ASP A 61 94.372 9.235 10.551 1.00 1.00 C ATOM 879 O ASP A 61 93.321 9.235 11.192 1.00 1.00 O ATOM 880 CB ASP A 61 94.767 11.708 10.573 1.00 1.00 C ATOM 881 CG ASP A 61 93.933 12.066 11.802 1.00 1.00 C ATOM 882 OD1 ASP A 61 92.857 12.615 11.629 1.00 1.00 O ATOM 883 OD2 ASP A 61 94.383 11.780 12.899 1.00 1.00 O ATOM 0 H ASP A 61 96.366 10.630 8.917 1.00 1.00 H new ATOM 0 HA ASP A 61 95.786 10.227 11.773 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.541 12.460 10.417 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.137 11.710 9.683 1.00 1.00 H new ATOM 888 N GLY A 62 94.682 8.281 9.681 1.00 1.00 N ATOM 889 CA GLY A 62 93.775 7.162 9.436 1.00 1.00 C ATOM 890 C GLY A 62 92.814 7.406 8.274 1.00 1.00 C ATOM 891 O GLY A 62 92.046 6.513 7.918 1.00 1.00 O ATOM 0 H GLY A 62 95.545 8.257 9.138 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.361 6.266 9.231 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.199 6.966 10.340 1.00 1.00 H new ATOM 895 N THR A 63 92.846 8.592 7.671 1.00 1.00 N ATOM 896 CA THR A 63 91.943 8.854 6.551 1.00 1.00 C ATOM 897 C THR A 63 92.388 8.070 5.320 1.00 1.00 C ATOM 898 O THR A 63 93.385 8.405 4.681 1.00 1.00 O ATOM 899 CB THR A 63 91.897 10.348 6.215 1.00 1.00 C ATOM 900 OG1 THR A 63 91.822 11.104 7.415 1.00 1.00 O ATOM 901 CG2 THR A 63 90.676 10.630 5.346 1.00 1.00 C ATOM 0 H THR A 63 93.463 9.363 7.926 1.00 1.00 H new ATOM 0 HA THR A 63 90.944 8.533 6.847 1.00 1.00 H new ATOM 0 HB THR A 63 92.800 10.631 5.673 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.794 12.059 7.199 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.639 11.692 5.104 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.743 10.050 4.425 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.772 10.349 5.886 1.00 1.00 H new ATOM 909 N VAL A 64 91.641 7.019 4.995 1.00 1.00 N ATOM 910 CA VAL A 64 91.968 6.194 3.837 1.00 1.00 C ATOM 911 C VAL A 64 91.568 6.889 2.562 1.00 1.00 C ATOM 912 O VAL A 64 90.445 7.378 2.426 1.00 1.00 O ATOM 913 CB VAL A 64 91.289 4.830 3.941 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.672 3.941 2.751 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.730 4.160 5.227 1.00 1.00 C ATOM 0 H VAL A 64 90.813 6.721 5.511 1.00 1.00 H new ATOM 0 HA VAL A 64 93.047 6.040 3.819 1.00 1.00 H new ATOM 0 HB VAL A 64 90.208 4.971 3.936 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.177 2.974 2.845 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.359 4.420 1.823 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.752 3.796 2.738 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.251 3.185 5.312 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.813 4.033 5.218 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.444 4.780 6.077 1.00 1.00 H new ATOM 919 N PHE A 65 92.513 6.935 1.622 1.00 1.00 N ATOM 920 CA PHE A 65 92.274 7.582 0.334 1.00 1.00 C ATOM 921 C PHE A 65 92.447 6.600 -0.816 1.00 1.00 C ATOM 922 O PHE A 65 92.011 6.864 -1.936 1.00 1.00 O ATOM 923 CB PHE A 65 93.199 8.788 0.180 1.00 1.00 C ATOM 924 CG PHE A 65 94.634 8.378 -0.022 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.395 8.023 1.086 1.00 1.00 C ATOM 926 CD2 PHE A 65 95.219 8.416 -1.294 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.748 7.711 0.940 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.573 8.093 -1.446 1.00 1.00 C ATOM 929 CZ PHE A 65 97.337 7.745 -0.324 1.00 1.00 C ATOM 0 H PHE A 65 93.445 6.534 1.728 1.00 1.00 H new ATOM 0 HA PHE A 65 91.242 7.931 0.305 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.871 9.390 -0.668 1.00 1.00 H new ATOM 0 HB3 PHE A 65 93.124 9.418 1.066 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.938 7.988 2.064 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.628 8.693 -2.154 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.338 7.444 1.804 1.00 1.00 H new ATOM 0 HE2 PHE A 65 97.027 8.112 -2.426 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.383 7.503 -0.438 1.00 1.00 H new ATOM 939 N ASP A 66 93.054 5.456 -0.528 1.00 1.00 N ATOM 940 CA ASP A 66 93.240 4.427 -1.552 1.00 1.00 C ATOM 941 C ASP A 66 93.379 3.046 -0.923 1.00 1.00 C ATOM 942 O ASP A 66 93.848 2.917 0.207 1.00 1.00 O ATOM 943 CB ASP A 66 94.477 4.728 -2.402 1.00 1.00 C ATOM 944 CG ASP A 66 94.421 3.938 -3.704 1.00 1.00 C ATOM 945 OD1 ASP A 66 93.552 3.088 -3.822 1.00 1.00 O ATOM 946 OD2 ASP A 66 95.246 4.195 -4.564 1.00 1.00 O ATOM 0 H ASP A 66 93.423 5.216 0.392 1.00 1.00 H new ATOM 0 HA ASP A 66 92.356 4.434 -2.190 1.00 1.00 H new ATOM 0 HB2 ASP A 66 94.530 5.795 -2.617 1.00 1.00 H new ATOM 0 HB3 ASP A 66 95.380 4.469 -1.849 1.00 1.00 H new ATOM 951 N SER A 67 92.980 2.011 -1.668 1.00 1.00 N ATOM 952 CA SER A 67 93.086 0.648 -1.164 1.00 1.00 C ATOM 953 C SER A 67 93.034 -0.398 -2.276 1.00 1.00 C ATOM 954 O SER A 67 92.481 -0.159 -3.350 1.00 1.00 O ATOM 955 CB SER A 67 91.992 0.386 -0.134 1.00 1.00 C ATOM 956 OG SER A 67 90.720 0.437 -0.764 1.00 1.00 O ATOM 0 H SER A 67 92.588 2.092 -2.606 1.00 1.00 H new ATOM 0 HA SER A 67 94.064 0.554 -0.691 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.141 -0.590 0.329 1.00 1.00 H new ATOM 0 HB3 SER A 67 92.044 1.128 0.663 1.00 1.00 H new ATOM 0 HG SER A 67 90.019 0.267 -0.100 1.00 1.00 H new ATOM 962 N THR A 68 93.631 -1.563 -2.000 1.00 1.00 N ATOM 963 CA THR A 68 93.667 -2.658 -2.972 1.00 1.00 C ATOM 964 C THR A 68 93.827 -4.005 -2.277 1.00 1.00 C ATOM 965 O THR A 68 93.182 -4.982 -2.643 1.00 1.00 O ATOM 966 CB THR A 68 94.835 -2.472 -3.942 1.00 1.00 C ATOM 967 OG1 THR A 68 94.707 -1.226 -4.613 1.00 1.00 O ATOM 968 CG2 THR A 68 94.844 -3.615 -4.960 1.00 1.00 C ATOM 0 H THR A 68 94.094 -1.770 -1.115 1.00 1.00 H new ATOM 0 HA THR A 68 92.722 -2.642 -3.515 1.00 1.00 H new ATOM 0 HB THR A 68 95.772 -2.481 -3.386 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.437 -0.632 -4.341 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.677 -3.481 -5.650 1.00 1.00 H new ATOM 0 HG22 THR A 68 94.954 -4.566 -4.439 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.907 -3.613 -5.517 1.00 1.00 H new ATOM 976 N GLU A 69 94.690 -4.052 -1.275 1.00 1.00 N ATOM 977 CA GLU A 69 94.913 -5.292 -0.547 1.00 1.00 C ATOM 978 C GLU A 69 93.629 -5.746 0.112 1.00 1.00 C ATOM 979 O GLU A 69 93.425 -6.938 0.339 1.00 1.00 O ATOM 980 CB GLU A 69 96.041 -5.134 0.456 1.00 1.00 C ATOM 981 CG GLU A 69 95.720 -4.039 1.449 1.00 1.00 C ATOM 982 CD GLU A 69 94.767 -4.545 2.529 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.323 -3.735 3.326 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.505 -5.736 2.553 1.00 1.00 O ATOM 0 H GLU A 69 95.241 -3.258 -0.950 1.00 1.00 H new ATOM 0 HA GLU A 69 95.218 -6.066 -1.251 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.201 -6.075 0.983 1.00 1.00 H new ATOM 0 HB3 GLU A 69 96.969 -4.899 -0.066 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.640 -3.679 1.910 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.271 -3.192 0.930 1.00 1.00 H new ATOM 991 N LYS A 70 92.748 -4.793 0.399 1.00 1.00 N ATOM 992 CA LYS A 70 91.479 -5.129 1.009 1.00 1.00 C ATOM 993 C LYS A 70 90.804 -6.184 0.150 1.00 1.00 C ATOM 994 O LYS A 70 90.284 -7.181 0.652 1.00 1.00 O ATOM 995 CB LYS A 70 90.601 -3.885 1.101 1.00 1.00 C ATOM 996 CG LYS A 70 91.282 -2.854 1.992 1.00 1.00 C ATOM 997 CD LYS A 70 91.274 -3.310 3.460 1.00 1.00 C ATOM 998 CE LYS A 70 91.607 -2.121 4.359 1.00 1.00 C ATOM 999 NZ LYS A 70 91.466 -2.524 5.787 1.00 1.00 N ATOM 0 H LYS A 70 92.891 -3.799 0.220 1.00 1.00 H new ATOM 0 HA LYS A 70 91.635 -5.513 2.017 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.433 -3.470 0.107 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.623 -4.145 1.507 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.309 -2.701 1.660 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.772 -1.895 1.902 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.297 -3.716 3.721 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.001 -4.108 3.609 1.00 1.00 H new ATOM 0 HE2 LYS A 70 92.623 -1.778 4.165 1.00 1.00 H new ATOM 0 HE3 LYS A 70 90.942 -1.286 4.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 91.693 -1.715 6.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 90.489 -2.831 5.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 92.118 -3.307 5.993 1.00 1.00 H new ATOM 1013 N THR A 71 90.877 -5.972 -1.157 1.00 1.00 N ATOM 1014 CA THR A 71 90.333 -6.920 -2.113 1.00 1.00 C ATOM 1015 C THR A 71 91.303 -8.087 -2.260 1.00 1.00 C ATOM 1016 O THR A 71 90.898 -9.221 -2.513 1.00 1.00 O ATOM 1017 CB THR A 71 90.117 -6.247 -3.472 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.286 -5.538 -3.850 1.00 1.00 O ATOM 1019 CG2 THR A 71 88.936 -5.279 -3.389 1.00 1.00 C ATOM 0 H THR A 71 91.309 -5.149 -1.578 1.00 1.00 H new ATOM 0 HA THR A 71 89.370 -7.282 -1.753 1.00 1.00 H new ATOM 0 HB THR A 71 89.904 -7.013 -4.218 1.00 1.00 H new ATOM 0 HG1 THR A 71 92.016 -5.758 -3.234 1.00 1.00 H new ATOM 0 HG21 THR A 71 88.787 -4.803 -4.358 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.035 -5.827 -3.111 1.00 1.00 H new ATOM 0 HG23 THR A 71 89.143 -4.516 -2.638 1.00 1.00 H new ATOM 1027 N GLY A 72 92.595 -7.793 -2.084 1.00 1.00 N ATOM 1028 CA GLY A 72 93.624 -8.816 -2.182 1.00 1.00 C ATOM 1029 C GLY A 72 93.983 -9.102 -3.628 1.00 1.00 C ATOM 1030 O GLY A 72 94.582 -10.134 -3.935 1.00 1.00 O ATOM 0 H GLY A 72 92.945 -6.858 -1.874 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.514 -8.493 -1.642 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.276 -9.732 -1.704 1.00 1.00 H new ATOM 1034 N LYS A 73 93.611 -8.188 -4.521 1.00 1.00 N ATOM 1035 CA LYS A 73 93.901 -8.365 -5.950 1.00 1.00 C ATOM 1036 C LYS A 73 95.130 -7.549 -6.352 1.00 1.00 C ATOM 1037 O LYS A 73 95.107 -6.322 -6.261 1.00 1.00 O ATOM 1038 CB LYS A 73 92.677 -7.921 -6.783 1.00 1.00 C ATOM 1039 CG LYS A 73 91.712 -9.094 -7.047 1.00 1.00 C ATOM 1040 CD LYS A 73 90.768 -9.287 -5.847 1.00 1.00 C ATOM 1041 CE LYS A 73 90.178 -10.690 -5.857 1.00 1.00 C ATOM 1042 NZ LYS A 73 89.429 -10.925 -4.591 1.00 1.00 N ATOM 0 H LYS A 73 93.115 -7.327 -4.290 1.00 1.00 H new ATOM 0 HA LYS A 73 94.108 -9.418 -6.141 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.148 -7.126 -6.258 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.014 -7.506 -7.733 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.131 -8.900 -7.949 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.279 -10.008 -7.224 1.00 1.00 H new ATOM 0 HD2 LYS A 73 91.312 -9.121 -4.917 1.00 1.00 H new ATOM 0 HD3 LYS A 73 89.967 -8.548 -5.884 1.00 1.00 H new ATOM 0 HE2 LYS A 73 89.513 -10.810 -6.712 1.00 1.00 H new ATOM 0 HE3 LYS A 73 90.972 -11.429 -5.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 89.465 -11.936 -4.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 89.860 -10.370 -3.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 88.438 -10.634 -4.715 1.00 1.00 H new ATOM 1056 N PRO A 74 96.217 -8.188 -6.774 1.00 1.00 N ATOM 1057 CA PRO A 74 97.451 -7.458 -7.152 1.00 1.00 C ATOM 1058 C PRO A 74 97.266 -6.490 -8.314 1.00 1.00 C ATOM 1059 O PRO A 74 96.429 -6.691 -9.195 1.00 1.00 O ATOM 1060 CB PRO A 74 98.456 -8.561 -7.519 1.00 1.00 C ATOM 1061 CG PRO A 74 97.922 -9.791 -6.890 1.00 1.00 C ATOM 1062 CD PRO A 74 96.426 -9.649 -6.931 1.00 1.00 C ATOM 0 HA PRO A 74 97.781 -6.824 -6.329 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.540 -8.675 -8.600 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.453 -8.327 -7.145 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.246 -10.680 -7.431 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.278 -9.893 -5.865 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.013 -10.016 -7.871 1.00 1.00 H new ATOM 0 HD3 PRO A 74 95.946 -10.212 -6.130 1.00 1.00 H new ATOM 1070 N ALA A 75 98.101 -5.464 -8.307 1.00 1.00 N ATOM 1071 CA ALA A 75 98.114 -4.449 -9.358 1.00 1.00 C ATOM 1072 C ALA A 75 99.527 -4.387 -9.921 1.00 1.00 C ATOM 1073 O ALA A 75 100.482 -4.657 -9.193 1.00 1.00 O ATOM 1074 CB ALA A 75 97.733 -3.083 -8.789 1.00 1.00 C ATOM 0 H ALA A 75 98.792 -5.307 -7.573 1.00 1.00 H new ATOM 0 HA ALA A 75 97.394 -4.707 -10.134 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.748 -2.340 -9.586 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.733 -3.134 -8.359 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.446 -2.799 -8.015 1.00 1.00 H new ATOM 1080 N THR A 76 99.678 -4.052 -11.200 1.00 1.00 N ATOM 1081 CA THR A 76 101.013 -3.998 -11.802 1.00 1.00 C ATOM 1082 C THR A 76 101.510 -2.574 -11.969 1.00 1.00 C ATOM 1083 O THR A 76 100.801 -1.706 -12.480 1.00 1.00 O ATOM 1084 CB THR A 76 101.007 -4.705 -13.155 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.151 -4.310 -13.898 1.00 1.00 O ATOM 1086 CG2 THR A 76 99.742 -4.346 -13.934 1.00 1.00 C ATOM 0 H THR A 76 98.912 -3.818 -11.831 1.00 1.00 H new ATOM 0 HA THR A 76 101.695 -4.507 -11.122 1.00 1.00 H new ATOM 0 HB THR A 76 101.027 -5.783 -12.993 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.150 -4.764 -14.766 1.00 1.00 H new ATOM 0 HG21 THR A 76 99.750 -4.857 -14.897 1.00 1.00 H new ATOM 0 HG22 THR A 76 98.865 -4.656 -13.366 1.00 1.00 H new ATOM 0 HG23 THR A 76 99.707 -3.269 -14.095 1.00 1.00 H new ATOM 1094 N PHE A 77 102.753 -2.348 -11.532 1.00 1.00 N ATOM 1095 CA PHE A 77 103.373 -1.038 -11.631 1.00 1.00 C ATOM 1096 C PHE A 77 104.801 -1.165 -12.076 1.00 1.00 C ATOM 1097 O PHE A 77 105.504 -2.106 -11.716 1.00 1.00 O ATOM 1098 CB PHE A 77 103.430 -0.329 -10.286 1.00 1.00 C ATOM 1099 CG PHE A 77 102.088 -0.318 -9.615 1.00 1.00 C ATOM 1100 CD1 PHE A 77 101.973 -0.790 -8.311 1.00 1.00 C ATOM 1101 CD2 PHE A 77 100.968 0.174 -10.286 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.740 -0.770 -7.665 1.00 1.00 C ATOM 1103 CE2 PHE A 77 99.730 0.197 -9.646 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.613 -0.270 -8.332 1.00 1.00 C ATOM 0 H PHE A 77 103.344 -3.062 -11.107 1.00 1.00 H new ATOM 0 HA PHE A 77 102.765 -0.475 -12.340 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.156 -0.825 -9.642 1.00 1.00 H new ATOM 0 HB3 PHE A 77 103.776 0.695 -10.427 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.843 -1.173 -7.798 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.060 0.536 -11.299 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.652 -1.138 -6.654 1.00 1.00 H new ATOM 0 HE2 PHE A 77 98.861 0.575 -10.164 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.656 -0.245 -7.833 1.00 1.00 H new ATOM 1114 N GLN A 78 105.252 -0.151 -12.764 1.00 1.00 N ATOM 1115 CA GLN A 78 106.638 -0.086 -13.155 1.00 1.00 C ATOM 1116 C GLN A 78 107.342 0.705 -12.078 1.00 1.00 C ATOM 1117 O GLN A 78 106.923 1.810 -11.731 1.00 1.00 O ATOM 1118 CB GLN A 78 106.801 0.574 -14.517 1.00 1.00 C ATOM 1119 CG GLN A 78 106.412 -0.412 -15.607 1.00 1.00 C ATOM 1120 CD GLN A 78 106.749 0.173 -16.969 1.00 1.00 C ATOM 1121 OE1 GLN A 78 106.534 -0.464 -18.001 1.00 1.00 O ATOM 1122 NE2 GLN A 78 107.283 1.353 -17.018 1.00 1.00 N ATOM 0 H GLN A 78 104.683 0.640 -13.066 1.00 1.00 H new ATOM 0 HA GLN A 78 107.063 -1.085 -13.253 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.177 1.465 -14.578 1.00 1.00 H new ATOM 0 HB3 GLN A 78 107.833 0.897 -14.655 1.00 1.00 H new ATOM 0 HG2 GLN A 78 106.941 -1.354 -15.464 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.346 -0.632 -15.548 1.00 1.00 H new ATOM 0 HE21 GLN A 78 107.456 1.871 -16.156 1.00 1.00 H new ATOM 0 HE22 GLN A 78 107.530 1.764 -17.918 1.00 1.00 H new ATOM 1131 N VAL A 79 108.371 0.122 -11.501 1.00 1.00 N ATOM 1132 CA VAL A 79 109.053 0.783 -10.417 1.00 1.00 C ATOM 1133 C VAL A 79 109.434 2.207 -10.811 1.00 1.00 C ATOM 1134 O VAL A 79 109.554 3.071 -9.954 1.00 1.00 O ATOM 1135 CB VAL A 79 110.310 0.001 -10.005 1.00 1.00 C ATOM 1136 CG1 VAL A 79 110.908 0.622 -8.759 1.00 1.00 C ATOM 1137 CG2 VAL A 79 109.958 -1.440 -9.683 1.00 1.00 C ATOM 0 H VAL A 79 108.746 -0.791 -11.760 1.00 1.00 H new ATOM 0 HA VAL A 79 108.372 0.822 -9.567 1.00 1.00 H new ATOM 0 HB VAL A 79 111.018 0.034 -10.833 1.00 1.00 H new ATOM 0 HG11 VAL A 79 111.799 0.067 -8.468 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.177 1.659 -8.962 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.179 0.588 -7.950 1.00 1.00 H new ATOM 0 HG21 VAL A 79 110.860 -1.979 -9.393 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.241 -1.465 -8.862 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.520 -1.913 -10.562 1.00 1.00 H new ATOM 1141 N SER A 80 109.626 2.454 -12.108 1.00 1.00 N ATOM 1142 CA SER A 80 110.010 3.788 -12.555 1.00 1.00 C ATOM 1143 C SER A 80 108.840 4.757 -12.548 1.00 1.00 C ATOM 1144 O SER A 80 109.033 5.972 -12.479 1.00 1.00 O ATOM 1145 CB SER A 80 110.599 3.722 -13.957 1.00 1.00 C ATOM 1146 OG SER A 80 110.990 5.028 -14.363 1.00 1.00 O ATOM 0 H SER A 80 109.524 1.763 -12.851 1.00 1.00 H new ATOM 0 HA SER A 80 110.756 4.157 -11.851 1.00 1.00 H new ATOM 0 HB2 SER A 80 111.458 3.051 -13.972 1.00 1.00 H new ATOM 0 HB3 SER A 80 109.865 3.316 -14.654 1.00 1.00 H new ATOM 0 HG SER A 80 111.371 4.990 -15.265 1.00 1.00 H new ATOM 1152 N GLN A 81 107.627 4.228 -12.651 1.00 1.00 N ATOM 1153 CA GLN A 81 106.435 5.084 -12.686 1.00 1.00 C ATOM 1154 C GLN A 81 105.757 5.183 -11.327 1.00 1.00 C ATOM 1155 O GLN A 81 104.810 5.953 -11.170 1.00 1.00 O ATOM 1156 CB GLN A 81 105.401 4.528 -13.665 1.00 1.00 C ATOM 1157 CG GLN A 81 106.028 4.298 -15.037 1.00 1.00 C ATOM 1158 CD GLN A 81 106.626 5.597 -15.568 1.00 1.00 C ATOM 1159 OE1 GLN A 81 106.009 6.657 -15.468 1.00 1.00 O ATOM 1160 NE2 GLN A 81 107.807 5.581 -16.121 1.00 1.00 N ATOM 0 H GLN A 81 107.438 3.228 -12.711 1.00 1.00 H new ATOM 0 HA GLN A 81 106.782 6.070 -12.995 1.00 1.00 H new ATOM 0 HB2 GLN A 81 104.997 3.591 -13.282 1.00 1.00 H new ATOM 0 HB3 GLN A 81 104.566 5.223 -13.753 1.00 1.00 H new ATOM 0 HG2 GLN A 81 106.803 3.534 -14.967 1.00 1.00 H new ATOM 0 HG3 GLN A 81 105.275 3.926 -15.731 1.00 1.00 H new ATOM 0 HE21 GLN A 81 108.319 4.703 -16.204 1.00 1.00 H new ATOM 0 HE22 GLN A 81 108.218 6.447 -16.470 1.00 1.00 H new ATOM 1169 N VAL A 82 106.194 4.386 -10.354 1.00 1.00 N ATOM 1170 CA VAL A 82 105.541 4.404 -9.048 1.00 1.00 C ATOM 1171 C VAL A 82 106.066 5.546 -8.161 1.00 1.00 C ATOM 1172 O VAL A 82 107.045 6.205 -8.508 1.00 1.00 O ATOM 1173 CB VAL A 82 105.709 3.017 -8.407 1.00 1.00 C ATOM 1174 CG1 VAL A 82 107.026 2.911 -7.690 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.600 2.737 -7.441 1.00 1.00 C ATOM 0 H VAL A 82 106.976 3.737 -10.440 1.00 1.00 H new ATOM 0 HA VAL A 82 104.477 4.608 -9.166 1.00 1.00 H new ATOM 0 HB VAL A 82 105.679 2.282 -9.211 1.00 1.00 H new ATOM 0 HG11 VAL A 82 107.120 1.920 -7.246 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.839 3.069 -8.398 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.075 3.666 -6.906 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.741 1.750 -7.001 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.605 3.490 -6.653 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.645 2.767 -7.965 1.00 1.00 H new ATOM 1179 N ILE A 83 105.383 5.806 -7.033 1.00 1.00 N ATOM 1180 CA ILE A 83 105.789 6.907 -6.153 1.00 1.00 C ATOM 1181 C ILE A 83 107.274 6.728 -5.756 1.00 1.00 C ATOM 1182 O ILE A 83 107.762 5.597 -5.749 1.00 1.00 O ATOM 1183 CB ILE A 83 104.877 6.973 -4.882 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.705 6.010 -4.999 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.275 8.370 -4.726 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.816 6.136 -3.766 1.00 1.00 C ATOM 0 H ILE A 83 104.567 5.281 -6.717 1.00 1.00 H new ATOM 0 HA ILE A 83 105.674 7.849 -6.689 1.00 1.00 H new ATOM 0 HB ILE A 83 105.507 6.715 -4.030 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.130 6.229 -5.899 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.069 4.987 -5.094 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.644 8.397 -3.838 1.00 1.00 H new ATOM 0 HG22 ILE A 83 105.076 9.102 -4.625 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.675 8.608 -5.604 1.00 1.00 H new ATOM 0 HD11 ILE A 83 101.977 5.446 -3.851 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.395 5.896 -2.874 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.440 7.157 -3.691 1.00 1.00 H new ATOM 1193 N PRO A 84 108.011 7.789 -5.436 1.00 1.00 N ATOM 1194 CA PRO A 84 109.453 7.658 -5.059 1.00 1.00 C ATOM 1195 C PRO A 84 109.684 6.657 -3.941 1.00 1.00 C ATOM 1196 O PRO A 84 110.601 5.839 -4.001 1.00 1.00 O ATOM 1197 CB PRO A 84 109.843 9.061 -4.575 1.00 1.00 C ATOM 1198 CG PRO A 84 108.882 9.986 -5.237 1.00 1.00 C ATOM 1199 CD PRO A 84 107.582 9.200 -5.391 1.00 1.00 C ATOM 0 HA PRO A 84 110.041 7.297 -5.903 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.776 9.135 -3.490 1.00 1.00 H new ATOM 0 HB3 PRO A 84 110.871 9.300 -4.848 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.727 10.883 -4.637 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.259 10.312 -6.207 1.00 1.00 H new ATOM 0 HD2 PRO A 84 106.905 9.383 -4.556 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.051 9.483 -6.300 1.00 1.00 H new ATOM 1207 N GLY A 85 108.859 6.744 -2.907 1.00 1.00 N ATOM 1208 CA GLY A 85 109.015 5.850 -1.775 1.00 1.00 C ATOM 1209 C GLY A 85 108.916 4.411 -2.232 1.00 1.00 C ATOM 1210 O GLY A 85 109.745 3.563 -1.901 1.00 1.00 O ATOM 0 H GLY A 85 108.091 7.411 -2.830 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.979 6.022 -1.296 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.247 6.057 -1.030 1.00 1.00 H new ATOM 1214 N TRP A 86 107.886 4.165 -3.014 1.00 1.00 N ATOM 1215 CA TRP A 86 107.623 2.850 -3.571 1.00 1.00 C ATOM 1216 C TRP A 86 108.755 2.444 -4.520 1.00 1.00 C ATOM 1217 O TRP A 86 109.107 1.274 -4.615 1.00 1.00 O ATOM 1218 CB TRP A 86 106.298 2.914 -4.347 1.00 1.00 C ATOM 1219 CG TRP A 86 105.116 2.611 -3.480 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.628 3.368 -2.467 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.230 1.476 -3.587 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.494 2.768 -1.965 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.212 1.594 -2.623 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.222 0.368 -4.429 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.218 0.637 -2.510 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.226 -0.595 -4.313 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.222 -0.460 -3.353 1.00 1.00 C ATOM 0 H TRP A 86 107.203 4.873 -3.284 1.00 1.00 H new ATOM 0 HA TRP A 86 107.560 2.113 -2.771 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.182 3.907 -4.782 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.330 2.205 -5.175 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.059 4.292 -2.111 1.00 1.00 H new ATOM 0 HE1 TRP A 86 102.934 3.147 -1.201 1.00 1.00 H new ATOM 0 HE3 TRP A 86 104.993 0.256 -5.176 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.442 0.746 -1.767 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.229 -1.453 -4.970 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.450 -1.210 -3.268 1.00 1.00 H new ATOM 1238 N THR A 87 109.301 3.413 -5.242 1.00 1.00 N ATOM 1239 CA THR A 87 110.355 3.120 -6.199 1.00 1.00 C ATOM 1240 C THR A 87 111.484 2.326 -5.553 1.00 1.00 C ATOM 1241 O THR A 87 111.877 1.270 -6.047 1.00 1.00 O ATOM 1242 CB THR A 87 110.918 4.434 -6.749 1.00 1.00 C ATOM 1243 OG1 THR A 87 109.846 5.271 -7.163 1.00 1.00 O ATOM 1244 CG2 THR A 87 111.837 4.158 -7.939 1.00 1.00 C ATOM 0 H THR A 87 109.035 4.396 -5.184 1.00 1.00 H new ATOM 0 HA THR A 87 109.929 2.521 -7.004 1.00 1.00 H new ATOM 0 HB THR A 87 111.492 4.930 -5.966 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.260 5.453 -6.399 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.231 5.100 -8.321 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.663 3.522 -7.621 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.274 3.655 -8.725 1.00 1.00 H new ATOM 1252 N GLU A 88 112.013 2.854 -4.463 1.00 1.00 N ATOM 1253 CA GLU A 88 113.116 2.209 -3.756 1.00 1.00 C ATOM 1254 C GLU A 88 112.667 0.956 -2.995 1.00 1.00 C ATOM 1255 O GLU A 88 113.364 -0.058 -2.991 1.00 1.00 O ATOM 1256 CB GLU A 88 113.742 3.210 -2.791 1.00 1.00 C ATOM 1257 CG GLU A 88 115.057 2.644 -2.255 1.00 1.00 C ATOM 1258 CD GLU A 88 115.761 3.679 -1.383 1.00 1.00 C ATOM 1259 OE1 GLU A 88 116.659 3.294 -0.653 1.00 1.00 O ATOM 1260 OE2 GLU A 88 115.398 4.842 -1.464 1.00 1.00 O ATOM 0 H GLU A 88 111.699 3.729 -4.044 1.00 1.00 H new ATOM 0 HA GLU A 88 113.848 1.887 -4.496 1.00 1.00 H new ATOM 0 HB2 GLU A 88 113.921 4.158 -3.298 1.00 1.00 H new ATOM 0 HB3 GLU A 88 113.058 3.414 -1.967 1.00 1.00 H new ATOM 0 HG2 GLU A 88 114.863 1.741 -1.676 1.00 1.00 H new ATOM 0 HG3 GLU A 88 115.703 2.358 -3.085 1.00 1.00 H new ATOM 1267 N ALA A 89 111.522 1.043 -2.328 1.00 1.00 N ATOM 1268 CA ALA A 89 111.015 -0.077 -1.528 1.00 1.00 C ATOM 1269 C ALA A 89 110.843 -1.377 -2.321 1.00 1.00 C ATOM 1270 O ALA A 89 111.241 -2.443 -1.850 1.00 1.00 O ATOM 1271 CB ALA A 89 109.674 0.291 -0.915 1.00 1.00 C ATOM 0 H ALA A 89 110.926 1.871 -2.322 1.00 1.00 H new ATOM 0 HA ALA A 89 111.769 -0.260 -0.762 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.303 -0.545 -0.322 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.794 1.165 -0.275 1.00 1.00 H new ATOM 0 HB3 ALA A 89 108.961 0.518 -1.708 1.00 1.00 H new ATOM 1277 N LEU A 90 110.224 -1.311 -3.495 1.00 1.00 N ATOM 1278 CA LEU A 90 109.994 -2.523 -4.277 1.00 1.00 C ATOM 1279 C LEU A 90 111.317 -3.202 -4.573 1.00 1.00 C ATOM 1280 O LEU A 90 111.437 -4.426 -4.512 1.00 1.00 O ATOM 1281 CB LEU A 90 109.332 -2.174 -5.608 1.00 1.00 C ATOM 1282 CG LEU A 90 107.969 -1.524 -5.379 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.513 -0.904 -6.695 1.00 1.00 C ATOM 1284 CD2 LEU A 90 106.948 -2.562 -4.921 1.00 1.00 C ATOM 0 H LEU A 90 109.878 -0.451 -3.920 1.00 1.00 H new ATOM 0 HA LEU A 90 109.347 -3.185 -3.701 1.00 1.00 H new ATOM 0 HB2 LEU A 90 109.973 -1.497 -6.172 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.214 -3.076 -6.209 1.00 1.00 H new ATOM 0 HG LEU A 90 108.051 -0.763 -4.603 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.540 -0.433 -6.557 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.237 -0.155 -7.014 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.435 -1.681 -7.456 1.00 1.00 H new ATOM 0 HD21 LEU A 90 105.984 -2.079 -4.763 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.847 -3.334 -5.684 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.283 -3.015 -3.988 1.00 1.00 H new ATOM 1296 N GLN A 91 112.300 -2.385 -4.910 1.00 1.00 N ATOM 1297 CA GLN A 91 113.618 -2.878 -5.240 1.00 1.00 C ATOM 1298 C GLN A 91 114.254 -3.569 -4.044 1.00 1.00 C ATOM 1299 O GLN A 91 115.133 -4.416 -4.201 1.00 1.00 O ATOM 1300 CB GLN A 91 114.493 -1.706 -5.664 1.00 1.00 C ATOM 1301 CG GLN A 91 113.878 -1.034 -6.890 1.00 1.00 C ATOM 1302 CD GLN A 91 114.673 0.215 -7.253 1.00 1.00 C ATOM 1303 OE1 GLN A 91 115.904 0.184 -7.271 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.044 1.317 -7.555 1.00 1.00 N ATOM 0 H GLN A 91 112.205 -1.371 -4.961 1.00 1.00 H new ATOM 0 HA GLN A 91 113.529 -3.601 -6.051 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.581 -0.989 -4.848 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.500 -2.054 -5.893 1.00 1.00 H new ATOM 0 HG2 GLN A 91 113.871 -1.728 -7.730 1.00 1.00 H new ATOM 0 HG3 GLN A 91 112.840 -0.769 -6.687 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.024 1.343 -7.540 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.572 2.153 -7.806 1.00 1.00 H new ATOM 1313 N LEU A 92 113.815 -3.194 -2.846 1.00 1.00 N ATOM 1314 CA LEU A 92 114.362 -3.774 -1.619 1.00 1.00 C ATOM 1315 C LEU A 92 113.432 -4.822 -1.044 1.00 1.00 C ATOM 1316 O LEU A 92 113.825 -5.561 -0.150 1.00 1.00 O ATOM 1317 CB LEU A 92 114.564 -2.676 -0.573 1.00 1.00 C ATOM 1318 CG LEU A 92 115.502 -1.587 -1.100 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.510 -0.432 -0.116 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.921 -2.126 -1.264 1.00 1.00 C ATOM 0 H LEU A 92 113.087 -2.496 -2.697 1.00 1.00 H new ATOM 0 HA LEU A 92 115.314 -4.243 -1.869 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.602 -2.237 -0.310 1.00 1.00 H new ATOM 0 HB3 LEU A 92 114.977 -3.108 0.339 1.00 1.00 H new ATOM 0 HG LEU A 92 115.147 -1.253 -2.075 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.175 0.351 -0.480 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.501 -0.033 -0.015 1.00 1.00 H new ATOM 0 HD13 LEU A 92 115.860 -0.783 0.855 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.570 -1.335 -1.640 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.292 -2.472 -0.300 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.915 -2.956 -1.970 1.00 1.00 H new ATOM 1332 N MET A 93 112.197 -4.868 -1.536 1.00 1.00 N ATOM 1333 CA MET A 93 111.216 -5.825 -1.025 1.00 1.00 C ATOM 1334 C MET A 93 111.281 -7.182 -1.765 1.00 1.00 C ATOM 1335 O MET A 93 110.866 -7.262 -2.922 1.00 1.00 O ATOM 1336 CB MET A 93 109.816 -5.234 -1.193 1.00 1.00 C ATOM 1337 CG MET A 93 108.765 -6.252 -0.736 1.00 1.00 C ATOM 1338 SD MET A 93 107.229 -5.393 -0.313 1.00 1.00 S ATOM 1339 CE MET A 93 106.647 -5.071 -1.997 1.00 1.00 C ATOM 0 H MET A 93 111.853 -4.261 -2.280 1.00 1.00 H new ATOM 0 HA MET A 93 111.443 -6.008 0.025 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.726 -4.318 -0.610 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.647 -4.966 -2.236 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.581 -6.979 -1.527 1.00 1.00 H new ATOM 0 HG3 MET A 93 109.133 -6.806 0.127 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.496 -4.000 -2.131 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.389 -5.426 -2.712 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.705 -5.594 -2.162 1.00 1.00 H new ATOM 1349 N PRO A 94 111.760 -8.256 -1.143 1.00 1.00 N ATOM 1350 CA PRO A 94 111.820 -9.600 -1.800 1.00 1.00 C ATOM 1351 C PRO A 94 110.431 -10.171 -2.079 1.00 1.00 C ATOM 1352 O PRO A 94 109.483 -9.920 -1.336 1.00 1.00 O ATOM 1353 CB PRO A 94 112.597 -10.478 -0.799 1.00 1.00 C ATOM 1354 CG PRO A 94 113.231 -9.529 0.159 1.00 1.00 C ATOM 1355 CD PRO A 94 112.294 -8.344 0.226 1.00 1.00 C ATOM 0 HA PRO A 94 112.301 -9.551 -2.777 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.930 -11.168 -0.283 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.348 -11.082 -1.308 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.357 -9.986 1.140 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.222 -9.228 -0.183 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.501 -8.499 0.958 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.818 -7.432 0.513 1.00 1.00 H new ATOM 1363 N ALA A 95 110.327 -10.932 -3.160 1.00 1.00 N ATOM 1364 CA ALA A 95 109.056 -11.528 -3.539 1.00 1.00 C ATOM 1365 C ALA A 95 108.574 -12.510 -2.500 1.00 1.00 C ATOM 1366 O ALA A 95 109.345 -13.304 -1.958 1.00 1.00 O ATOM 1367 CB ALA A 95 109.148 -12.200 -4.901 1.00 1.00 C ATOM 0 H ALA A 95 111.103 -11.149 -3.786 1.00 1.00 H new ATOM 0 HA ALA A 95 108.328 -10.720 -3.603 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.183 -12.636 -5.157 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.423 -11.461 -5.653 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.904 -12.985 -4.869 1.00 1.00 H new ATOM 1373 N GLY A 96 107.282 -12.427 -2.214 1.00 1.00 N ATOM 1374 CA GLY A 96 106.666 -13.279 -1.226 1.00 1.00 C ATOM 1375 C GLY A 96 106.674 -12.569 0.111 1.00 1.00 C ATOM 1376 O GLY A 96 105.912 -12.910 1.016 1.00 1.00 O ATOM 0 H GLY A 96 106.642 -11.770 -2.660 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.644 -13.518 -1.519 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.206 -14.223 -1.154 1.00 1.00 H new ATOM 1380 N SER A 97 107.535 -11.553 0.223 1.00 1.00 N ATOM 1381 CA SER A 97 107.622 -10.780 1.447 1.00 1.00 C ATOM 1382 C SER A 97 106.607 -9.647 1.425 1.00 1.00 C ATOM 1383 O SER A 97 106.482 -8.930 0.433 1.00 1.00 O ATOM 1384 CB SER A 97 109.034 -10.211 1.594 1.00 1.00 C ATOM 1385 OG SER A 97 109.116 -8.986 0.883 1.00 1.00 O ATOM 0 H SER A 97 108.172 -11.255 -0.516 1.00 1.00 H new ATOM 0 HA SER A 97 107.404 -11.429 2.295 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.268 -10.051 2.647 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.767 -10.920 1.209 1.00 1.00 H new ATOM 0 HG SER A 97 109.500 -9.148 -0.004 1.00 1.00 H new ATOM 1391 N THR A 98 105.887 -9.488 2.532 1.00 1.00 N ATOM 1392 CA THR A 98 104.882 -8.434 2.646 1.00 1.00 C ATOM 1393 C THR A 98 105.391 -7.332 3.545 1.00 1.00 C ATOM 1394 O THR A 98 105.603 -7.542 4.736 1.00 1.00 O ATOM 1395 CB THR A 98 103.584 -8.995 3.217 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.121 -10.057 2.395 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.545 -7.886 3.247 1.00 1.00 C ATOM 0 H THR A 98 105.980 -10.074 3.362 1.00 1.00 H new ATOM 0 HA THR A 98 104.688 -8.033 1.651 1.00 1.00 H new ATOM 0 HB THR A 98 103.755 -9.373 4.225 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.288 -10.417 2.764 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.611 -8.274 3.653 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.903 -7.069 3.874 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.376 -7.519 2.235 1.00 1.00 H new ATOM 1405 N TRP A 99 105.629 -6.156 2.967 1.00 1.00 N ATOM 1406 CA TRP A 99 106.154 -5.027 3.734 1.00 1.00 C ATOM 1407 C TRP A 99 105.151 -3.880 3.800 1.00 1.00 C ATOM 1408 O TRP A 99 104.237 -3.773 2.983 1.00 1.00 O ATOM 1409 CB TRP A 99 107.420 -4.444 3.082 1.00 1.00 C ATOM 1410 CG TRP A 99 108.602 -5.374 3.119 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.608 -6.681 3.484 1.00 1.00 C ATOM 1412 CD2 TRP A 99 109.979 -5.043 2.785 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.893 -7.170 3.391 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.778 -6.199 2.966 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.606 -3.859 2.344 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.150 -6.183 2.723 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 111.990 -3.843 2.098 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.759 -5.002 2.288 1.00 1.00 C ATOM 0 H TRP A 99 105.469 -5.960 1.979 1.00 1.00 H new ATOM 0 HA TRP A 99 106.367 -5.421 4.728 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.200 -4.191 2.045 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.684 -3.515 3.588 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.744 -7.248 3.797 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.158 -8.131 3.609 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.022 -2.963 2.195 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.739 -7.076 2.870 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.465 -2.933 1.761 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.822 -4.981 2.098 1.00 1.00 H new ATOM 1429 N GLU A 100 105.412 -2.983 4.742 1.00 1.00 N ATOM 1430 CA GLU A 100 104.636 -1.761 4.917 1.00 1.00 C ATOM 1431 C GLU A 100 105.605 -0.605 4.842 1.00 1.00 C ATOM 1432 O GLU A 100 106.573 -0.576 5.601 1.00 1.00 O ATOM 1433 CB GLU A 100 103.922 -1.724 6.273 1.00 1.00 C ATOM 1434 CG GLU A 100 102.669 -2.586 6.218 1.00 1.00 C ATOM 1435 CD GLU A 100 102.012 -2.656 7.591 1.00 1.00 C ATOM 1436 OE1 GLU A 100 100.957 -3.260 7.688 1.00 1.00 O ATOM 1437 OE2 GLU A 100 102.574 -2.110 8.525 1.00 1.00 O ATOM 0 H GLU A 100 106.175 -3.083 5.412 1.00 1.00 H new ATOM 0 HA GLU A 100 103.870 -1.709 4.143 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.589 -2.085 7.056 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.658 -0.698 6.528 1.00 1.00 H new ATOM 0 HG2 GLU A 100 101.968 -2.173 5.493 1.00 1.00 H new ATOM 0 HG3 GLU A 100 102.925 -3.590 5.879 1.00 1.00 H new ATOM 1444 N ILE A 101 105.361 0.351 3.943 1.00 1.00 N ATOM 1445 CA ILE A 101 106.250 1.490 3.812 1.00 1.00 C ATOM 1446 C ILE A 101 105.501 2.769 4.104 1.00 1.00 C ATOM 1447 O ILE A 101 104.352 2.953 3.708 1.00 1.00 O ATOM 1448 CB ILE A 101 106.949 1.499 2.436 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.110 2.174 1.346 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.221 0.047 2.045 1.00 1.00 C ATOM 1451 CD1 ILE A 101 106.949 2.250 0.081 1.00 1.00 C ATOM 0 H ILE A 101 104.564 0.354 3.306 1.00 1.00 H new ATOM 0 HA ILE A 101 107.047 1.408 4.551 1.00 1.00 H new ATOM 0 HB ILE A 101 107.870 2.076 2.521 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.197 1.607 1.163 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.808 3.172 1.662 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.716 0.018 1.074 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.863 -0.417 2.794 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.278 -0.497 1.988 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.372 2.728 -0.710 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.849 2.833 0.276 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.229 1.244 -0.231 1.00 1.00 H new ATOM 1458 N TYR A 102 106.177 3.632 4.842 1.00 1.00 N ATOM 1459 CA TYR A 102 105.628 4.899 5.263 1.00 1.00 C ATOM 1460 C TYR A 102 106.383 5.953 4.481 1.00 1.00 C ATOM 1461 O TYR A 102 107.564 6.202 4.719 1.00 1.00 O ATOM 1462 CB TYR A 102 105.850 5.062 6.778 1.00 1.00 C ATOM 1463 CG TYR A 102 105.295 3.859 7.551 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.695 2.545 7.236 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.383 4.055 8.599 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.194 1.460 7.945 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.882 2.958 9.317 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.287 1.660 8.989 1.00 1.00 C ATOM 1469 OH TYR A 102 103.790 0.580 9.688 1.00 1.00 O ATOM 0 H TYR A 102 107.130 3.467 5.166 1.00 1.00 H new ATOM 0 HA TYR A 102 104.557 4.978 5.079 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.915 5.170 6.983 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.365 5.975 7.123 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.399 2.379 6.434 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.065 5.055 8.854 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.507 0.459 7.688 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.182 3.116 10.124 1.00 1.00 H new ATOM 0 HH TYR A 102 103.497 -0.111 9.058 1.00 1.00 H new ATOM 1479 N VAL A 103 105.717 6.481 3.464 1.00 1.00 N ATOM 1480 CA VAL A 103 106.345 7.411 2.539 1.00 1.00 C ATOM 1481 C VAL A 103 106.232 8.884 2.911 1.00 1.00 C ATOM 1482 O VAL A 103 105.139 9.445 2.881 1.00 1.00 O ATOM 1483 CB VAL A 103 105.735 7.252 1.155 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.612 7.973 0.139 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.632 5.772 0.793 1.00 1.00 C ATOM 0 H VAL A 103 104.738 6.280 3.259 1.00 1.00 H new ATOM 0 HA VAL A 103 107.403 7.151 2.574 1.00 1.00 H new ATOM 0 HB VAL A 103 104.734 7.683 1.148 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.181 7.864 -0.856 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.671 9.031 0.395 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.613 7.541 0.151 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.194 5.670 -0.200 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.627 5.326 0.798 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.002 5.262 1.522 1.00 1.00 H new ATOM 1489 N PRO A 104 107.339 9.540 3.179 1.00 1.00 N ATOM 1490 CA PRO A 104 107.330 10.994 3.468 1.00 1.00 C ATOM 1491 C PRO A 104 106.561 11.743 2.383 1.00 1.00 C ATOM 1492 O PRO A 104 106.613 11.376 1.209 1.00 1.00 O ATOM 1493 CB PRO A 104 108.818 11.378 3.442 1.00 1.00 C ATOM 1494 CG PRO A 104 109.568 10.116 3.746 1.00 1.00 C ATOM 1495 CD PRO A 104 108.698 8.968 3.264 1.00 1.00 C ATOM 0 HA PRO A 104 106.848 11.240 4.414 1.00 1.00 H new ATOM 0 HB2 PRO A 104 109.102 11.778 2.469 1.00 1.00 H new ATOM 0 HB3 PRO A 104 109.036 12.150 4.180 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.534 10.108 3.242 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.766 10.030 4.815 1.00 1.00 H new ATOM 0 HD2 PRO A 104 109.033 8.596 2.296 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.732 8.127 3.957 1.00 1.00 H new ATOM 1503 N SER A 105 105.836 12.776 2.778 1.00 1.00 N ATOM 1504 CA SER A 105 105.053 13.532 1.816 1.00 1.00 C ATOM 1505 C SER A 105 105.910 13.918 0.614 1.00 1.00 C ATOM 1506 O SER A 105 105.431 13.950 -0.519 1.00 1.00 O ATOM 1507 CB SER A 105 104.484 14.787 2.468 1.00 1.00 C ATOM 1508 OG SER A 105 105.551 15.599 2.943 1.00 1.00 O ATOM 0 H SER A 105 105.773 13.106 3.741 1.00 1.00 H new ATOM 0 HA SER A 105 104.231 12.904 1.474 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.882 15.343 1.749 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.825 14.515 3.292 1.00 1.00 H new ATOM 0 HG SER A 105 105.186 16.407 3.361 1.00 1.00 H new ATOM 1514 N GLY A 106 107.180 14.206 0.869 1.00 1.00 N ATOM 1515 CA GLY A 106 108.093 14.581 -0.204 1.00 1.00 C ATOM 1516 C GLY A 106 108.323 13.417 -1.155 1.00 1.00 C ATOM 1517 O GLY A 106 108.539 13.611 -2.352 1.00 1.00 O ATOM 0 H GLY A 106 107.598 14.188 1.799 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.685 15.429 -0.754 1.00 1.00 H new ATOM 0 HA3 GLY A 106 109.044 14.903 0.219 1.00 1.00 H new ATOM 1521 N LEU A 107 108.289 12.205 -0.608 1.00 1.00 N ATOM 1522 CA LEU A 107 108.511 10.997 -1.401 1.00 1.00 C ATOM 1523 C LEU A 107 107.194 10.320 -1.737 1.00 1.00 C ATOM 1524 O LEU A 107 107.195 9.247 -2.329 1.00 1.00 O ATOM 1525 CB LEU A 107 109.381 9.993 -0.627 1.00 1.00 C ATOM 1526 CG LEU A 107 110.715 10.628 -0.199 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.616 9.554 0.408 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.427 11.261 -1.400 1.00 1.00 C ATOM 0 H LEU A 107 108.110 12.032 0.381 1.00 1.00 H new ATOM 0 HA LEU A 107 109.015 11.300 -2.318 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.842 9.644 0.254 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.574 9.119 -1.249 1.00 1.00 H new ATOM 0 HG LEU A 107 110.508 11.406 0.536 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.562 10.002 0.712 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.126 9.117 1.278 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.804 8.776 -0.332 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.368 11.704 -1.073 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.627 10.495 -2.149 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.793 12.035 -1.833 1.00 1.00 H new ATOM 1540 N ALA A 108 106.066 10.918 -1.333 1.00 1.00 N ATOM 1541 CA ALA A 108 104.762 10.327 -1.586 1.00 1.00 C ATOM 1542 C ALA A 108 104.027 11.102 -2.665 1.00 1.00 C ATOM 1543 O ALA A 108 104.339 10.962 -3.843 1.00 1.00 O ATOM 1544 CB ALA A 108 103.916 10.310 -0.317 1.00 1.00 C ATOM 0 H ALA A 108 106.038 11.806 -0.833 1.00 1.00 H new ATOM 0 HA ALA A 108 104.923 9.302 -1.920 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.945 9.863 -0.533 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.423 9.724 0.450 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.774 11.330 0.040 1.00 1.00 H new ATOM 1550 N TYR A 109 103.034 11.909 -2.276 1.00 1.00 N ATOM 1551 CA TYR A 109 102.255 12.658 -3.256 1.00 1.00 C ATOM 1552 C TYR A 109 102.602 14.137 -3.306 1.00 1.00 C ATOM 1553 O TYR A 109 101.988 14.894 -4.060 1.00 1.00 O ATOM 1554 CB TYR A 109 100.768 12.406 -3.033 1.00 1.00 C ATOM 1555 CG TYR A 109 100.502 11.023 -3.578 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.307 9.963 -2.708 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.524 10.801 -4.962 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.128 8.685 -3.203 1.00 1.00 C ATOM 1559 CE2 TYR A 109 100.345 9.522 -5.460 1.00 1.00 C ATOM 1560 CZ TYR A 109 100.150 8.457 -4.575 1.00 1.00 C ATOM 1561 OH TYR A 109 99.971 7.184 -5.046 1.00 1.00 O ATOM 0 H TYR A 109 102.757 12.056 -1.305 1.00 1.00 H new ATOM 0 HA TYR A 109 102.523 12.287 -4.245 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.515 12.465 -1.974 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.163 13.153 -3.547 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.295 10.135 -1.642 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.681 11.628 -5.639 1.00 1.00 H new ATOM 0 HE1 TYR A 109 99.971 7.861 -2.523 1.00 1.00 H new ATOM 0 HE2 TYR A 109 100.356 9.348 -6.526 1.00 1.00 H new ATOM 0 HH TYR A 109 100.012 7.189 -6.025 1.00 1.00 H new ATOM 1571 N GLY A 110 103.623 14.545 -2.555 1.00 1.00 N ATOM 1572 CA GLY A 110 104.077 15.940 -2.593 1.00 1.00 C ATOM 1573 C GLY A 110 103.739 16.725 -1.328 1.00 1.00 C ATOM 1574 O GLY A 110 102.903 16.313 -0.524 1.00 1.00 O ATOM 0 H GLY A 110 104.147 13.942 -1.921 1.00 1.00 H new ATOM 0 HA2 GLY A 110 105.156 15.959 -2.745 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.626 16.437 -3.451 1.00 1.00 H new ATOM 1578 N PRO A 111 104.375 17.863 -1.162 1.00 1.00 N ATOM 1579 CA PRO A 111 104.159 18.767 0.004 1.00 1.00 C ATOM 1580 C PRO A 111 102.838 19.528 -0.117 1.00 1.00 C ATOM 1581 O PRO A 111 102.353 20.123 0.846 1.00 1.00 O ATOM 1582 CB PRO A 111 105.356 19.715 -0.069 1.00 1.00 C ATOM 1583 CG PRO A 111 105.680 19.802 -1.521 1.00 1.00 C ATOM 1584 CD PRO A 111 105.379 18.421 -2.093 1.00 1.00 C ATOM 0 HA PRO A 111 104.092 18.233 0.952 1.00 1.00 H new ATOM 0 HB2 PRO A 111 105.111 20.695 0.342 1.00 1.00 H new ATOM 0 HB3 PRO A 111 106.201 19.331 0.503 1.00 1.00 H new ATOM 0 HG2 PRO A 111 105.080 20.568 -2.011 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.725 20.070 -1.674 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.990 18.485 -3.109 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.275 17.801 -2.133 1.00 1.00 H new ATOM 1592 N ARG A 112 102.282 19.504 -1.323 1.00 1.00 N ATOM 1593 CA ARG A 112 101.023 20.184 -1.627 1.00 1.00 C ATOM 1594 C ARG A 112 99.887 19.170 -1.647 1.00 1.00 C ATOM 1595 O ARG A 112 100.134 17.968 -1.698 1.00 1.00 O ATOM 1596 CB ARG A 112 101.129 20.815 -3.015 1.00 1.00 C ATOM 1597 CG ARG A 112 102.148 21.961 -2.998 1.00 1.00 C ATOM 1598 CD ARG A 112 102.547 22.302 -4.437 1.00 1.00 C ATOM 1599 NE ARG A 112 103.443 21.268 -4.953 1.00 1.00 N ATOM 1600 CZ ARG A 112 103.456 20.917 -6.238 1.00 1.00 C ATOM 1601 NH1 ARG A 112 102.657 21.499 -7.091 1.00 1.00 N ATOM 1602 NH2 ARG A 112 104.275 19.986 -6.643 1.00 1.00 N ATOM 0 H ARG A 112 102.689 19.013 -2.119 1.00 1.00 H new ATOM 0 HA ARG A 112 100.828 20.945 -0.871 1.00 1.00 H new ATOM 0 HB2 ARG A 112 101.430 20.062 -3.743 1.00 1.00 H new ATOM 0 HB3 ARG A 112 100.154 21.190 -3.328 1.00 1.00 H new ATOM 0 HG2 ARG A 112 101.720 22.837 -2.509 1.00 1.00 H new ATOM 0 HG3 ARG A 112 103.028 21.673 -2.423 1.00 1.00 H new ATOM 0 HD2 ARG A 112 101.659 22.375 -5.064 1.00 1.00 H new ATOM 0 HD3 ARG A 112 103.040 23.274 -4.468 1.00 1.00 H new ATOM 0 HE ARG A 112 104.079 20.800 -4.308 1.00 1.00 H new ATOM 0 HH11 ARG A 112 102.017 22.228 -6.775 1.00 1.00 H new ATOM 0 HH12 ARG A 112 102.673 21.225 -8.073 1.00 1.00 H new ATOM 0 HH21 ARG A 112 104.900 19.532 -5.977 1.00 1.00 H new ATOM 0 HH22 ARG A 112 104.290 19.712 -7.625 1.00 1.00 H new ATOM 1616 N SER A 113 98.646 19.644 -1.623 1.00 1.00 N ATOM 1617 CA SER A 113 97.512 18.738 -1.670 1.00 1.00 C ATOM 1618 C SER A 113 97.337 18.201 -3.086 1.00 1.00 C ATOM 1619 O SER A 113 96.756 18.867 -3.945 1.00 1.00 O ATOM 1620 CB SER A 113 96.242 19.461 -1.227 1.00 1.00 C ATOM 1621 OG SER A 113 96.546 20.328 -0.142 1.00 1.00 O ATOM 0 H SER A 113 98.405 20.634 -1.572 1.00 1.00 H new ATOM 0 HA SER A 113 97.697 17.905 -0.992 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.827 20.032 -2.058 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.484 18.737 -0.927 1.00 1.00 H new ATOM 0 HG SER A 113 95.942 21.099 -0.160 1.00 1.00 H new ATOM 1627 N VAL A 114 97.858 16.998 -3.331 1.00 1.00 N ATOM 1628 CA VAL A 114 97.771 16.382 -4.657 1.00 1.00 C ATOM 1629 C VAL A 114 96.822 15.182 -4.639 1.00 1.00 C ATOM 1630 O VAL A 114 97.225 14.064 -4.963 1.00 1.00 O ATOM 1631 CB VAL A 114 99.166 15.912 -5.100 1.00 1.00 C ATOM 1632 CG1 VAL A 114 99.177 15.677 -6.611 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.224 16.957 -4.719 1.00 1.00 C ATOM 0 H VAL A 114 98.342 16.433 -2.633 1.00 1.00 H new ATOM 0 HA VAL A 114 97.386 17.125 -5.355 1.00 1.00 H new ATOM 0 HB VAL A 114 99.403 14.977 -4.593 1.00 1.00 H new ATOM 0 HG11 VAL A 114 100.168 15.344 -6.920 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.442 14.914 -6.866 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.929 16.606 -7.125 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.208 16.612 -5.038 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.994 17.903 -5.210 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.222 17.099 -3.638 1.00 1.00 H new ATOM 1637 N GLY A 115 95.561 15.405 -4.271 1.00 1.00 N ATOM 1638 CA GLY A 115 94.601 14.304 -4.239 1.00 1.00 C ATOM 1639 C GLY A 115 93.306 14.685 -3.517 1.00 1.00 C ATOM 1640 O GLY A 115 93.137 15.819 -3.069 1.00 1.00 O ATOM 0 H GLY A 115 95.187 16.314 -3.997 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.369 13.997 -5.259 1.00 1.00 H new ATOM 0 HA3 GLY A 115 95.052 13.445 -3.742 1.00 1.00 H new ATOM 1644 N GLY A 116 92.396 13.713 -3.419 1.00 1.00 N ATOM 1645 CA GLY A 116 91.101 13.913 -2.765 1.00 1.00 C ATOM 1646 C GLY A 116 91.258 14.357 -1.303 1.00 1.00 C ATOM 1647 O GLY A 116 91.592 15.513 -1.046 1.00 1.00 O ATOM 0 H GLY A 116 92.534 12.772 -3.788 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.530 14.663 -3.312 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.528 12.986 -2.803 1.00 1.00 H new ATOM 1651 N PRO A 117 90.998 13.492 -0.336 1.00 1.00 N ATOM 1652 CA PRO A 117 91.097 13.863 1.104 1.00 1.00 C ATOM 1653 C PRO A 117 92.513 14.268 1.465 1.00 1.00 C ATOM 1654 O PRO A 117 92.753 14.876 2.509 1.00 1.00 O ATOM 1655 CB PRO A 117 90.643 12.616 1.868 1.00 1.00 C ATOM 1656 CG PRO A 117 90.819 11.500 0.902 1.00 1.00 C ATOM 1657 CD PRO A 117 90.600 12.086 -0.485 1.00 1.00 C ATOM 0 HA PRO A 117 90.479 14.726 1.352 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.241 12.461 2.766 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.605 12.703 2.188 1.00 1.00 H new ATOM 0 HG2 PRO A 117 91.816 11.068 0.987 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.107 10.699 1.101 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.205 11.576 -1.235 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.560 11.995 -0.798 1.00 1.00 H new ATOM 1665 N ILE A 118 93.450 13.943 0.586 1.00 1.00 N ATOM 1666 CA ILE A 118 94.830 14.305 0.831 1.00 1.00 C ATOM 1667 C ILE A 118 94.935 15.824 0.766 1.00 1.00 C ATOM 1668 O ILE A 118 94.697 16.428 -0.280 1.00 1.00 O ATOM 1669 CB ILE A 118 95.758 13.712 -0.230 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.568 12.192 -0.327 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.194 14.024 0.174 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.310 11.838 -1.137 1.00 1.00 C ATOM 0 H ILE A 118 93.281 13.440 -0.285 1.00 1.00 H new ATOM 0 HA ILE A 118 95.129 13.919 1.806 1.00 1.00 H new ATOM 0 HB ILE A 118 95.528 14.144 -1.204 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.444 11.743 -0.796 1.00 1.00 H new ATOM 0 HG13 ILE A 118 95.490 11.768 0.674 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.878 13.611 -0.567 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.329 15.104 0.231 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.403 13.580 1.147 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.203 10.754 -1.188 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.433 12.267 -0.653 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.401 12.241 -2.146 1.00 1.00 H new ATOM 1679 N GLY A 119 95.282 16.436 1.888 1.00 1.00 N ATOM 1680 CA GLY A 119 95.406 17.890 1.963 1.00 1.00 C ATOM 1681 C GLY A 119 96.839 18.311 1.714 1.00 1.00 C ATOM 1682 O GLY A 119 97.616 17.552 1.169 1.00 1.00 O ATOM 0 H GLY A 119 95.484 15.951 2.762 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.750 18.356 1.227 1.00 1.00 H new ATOM 0 HA3 GLY A 119 95.083 18.239 2.944 1.00 1.00 H new ATOM 1686 N PRO A 120 97.208 19.492 2.109 1.00 1.00 N ATOM 1687 CA PRO A 120 98.607 19.982 1.944 1.00 1.00 C ATOM 1688 C PRO A 120 99.591 19.316 2.924 1.00 1.00 C ATOM 1689 O PRO A 120 99.253 19.046 4.077 1.00 1.00 O ATOM 1690 CB PRO A 120 98.487 21.477 2.229 1.00 1.00 C ATOM 1691 CG PRO A 120 97.330 21.569 3.165 1.00 1.00 C ATOM 1692 CD PRO A 120 96.338 20.506 2.722 1.00 1.00 C ATOM 0 HA PRO A 120 99.007 19.751 0.957 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.398 21.873 2.679 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.309 22.045 1.316 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.648 21.400 4.194 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.879 22.561 3.130 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.774 20.102 3.563 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.612 20.900 2.011 1.00 1.00 H new ATOM 1700 N ASN A 121 100.819 19.103 2.457 1.00 1.00 N ATOM 1701 CA ASN A 121 101.886 18.522 3.283 1.00 1.00 C ATOM 1702 C ASN A 121 101.416 17.305 4.091 1.00 1.00 C ATOM 1703 O ASN A 121 101.478 17.303 5.321 1.00 1.00 O ATOM 1704 CB ASN A 121 102.457 19.603 4.224 1.00 1.00 C ATOM 1705 CG ASN A 121 103.950 19.377 4.460 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.782 20.027 3.826 1.00 1.00 O ATOM 1707 ND2 ASN A 121 104.341 18.486 5.330 1.00 1.00 N ATOM 0 H ASN A 121 101.106 19.325 1.504 1.00 1.00 H new ATOM 0 HA ASN A 121 102.664 18.166 2.608 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.297 20.591 3.791 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.926 19.582 5.176 1.00 1.00 H new ATOM 0 HD21 ASN A 121 105.337 18.327 5.485 1.00 1.00 H new ATOM 0 HD22 ASN A 121 103.651 17.948 5.855 1.00 1.00 H new ATOM 1714 N GLU A 122 100.952 16.269 3.395 1.00 1.00 N ATOM 1715 CA GLU A 122 100.471 15.042 4.053 1.00 1.00 C ATOM 1716 C GLU A 122 101.349 13.855 3.708 1.00 1.00 C ATOM 1717 O GLU A 122 101.749 13.660 2.560 1.00 1.00 O ATOM 1718 CB GLU A 122 98.997 14.753 3.671 1.00 1.00 C ATOM 1719 CG GLU A 122 98.538 15.778 2.658 1.00 1.00 C ATOM 1720 CD GLU A 122 99.378 15.631 1.389 1.00 1.00 C ATOM 1721 OE1 GLU A 122 99.680 14.503 1.033 1.00 1.00 O ATOM 1722 OE2 GLU A 122 99.726 16.644 0.803 1.00 1.00 O ATOM 0 H GLU A 122 100.896 16.248 2.377 1.00 1.00 H new ATOM 0 HA GLU A 122 100.524 15.202 5.130 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.906 13.749 3.257 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.364 14.791 4.558 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.482 15.635 2.429 1.00 1.00 H new ATOM 0 HG3 GLU A 122 98.643 16.784 3.065 1.00 1.00 H new ATOM 1729 N THR A 123 101.613 13.050 4.724 1.00 1.00 N ATOM 1730 CA THR A 123 102.414 11.853 4.567 1.00 1.00 C ATOM 1731 C THR A 123 101.488 10.675 4.336 1.00 1.00 C ATOM 1732 O THR A 123 100.535 10.468 5.086 1.00 1.00 O ATOM 1733 CB THR A 123 103.241 11.628 5.829 1.00 1.00 C ATOM 1734 OG1 THR A 123 104.104 12.740 6.028 1.00 1.00 O ATOM 1735 CG2 THR A 123 104.074 10.356 5.695 1.00 1.00 C ATOM 0 H THR A 123 101.279 13.209 5.675 1.00 1.00 H new ATOM 0 HA THR A 123 103.088 11.960 3.717 1.00 1.00 H new ATOM 0 HB THR A 123 102.570 11.522 6.681 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.264 12.862 6.987 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.659 10.207 6.602 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.413 9.502 5.546 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.745 10.449 4.841 1.00 1.00 H new ATOM 1743 N LEU A 124 101.767 9.904 3.296 1.00 1.00 N ATOM 1744 CA LEU A 124 100.947 8.738 2.972 1.00 1.00 C ATOM 1745 C LEU A 124 101.742 7.458 3.205 1.00 1.00 C ATOM 1746 O LEU A 124 102.944 7.397 2.947 1.00 1.00 O ATOM 1747 CB LEU A 124 100.500 8.780 1.499 1.00 1.00 C ATOM 1748 CG LEU A 124 99.634 10.024 1.158 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.670 10.367 2.280 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.510 11.238 0.874 1.00 1.00 C ATOM 0 H LEU A 124 102.551 10.060 2.662 1.00 1.00 H new ATOM 0 HA LEU A 124 100.069 8.754 3.617 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.382 8.772 0.858 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.933 7.877 1.272 1.00 1.00 H new ATOM 0 HG LEU A 124 99.060 9.768 0.267 1.00 1.00 H new ATOM 0 HD11 LEU A 124 98.084 11.243 2.001 1.00 1.00 H new ATOM 0 HD12 LEU A 124 98.002 9.524 2.456 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.231 10.581 3.189 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.879 12.095 0.638 1.00 1.00 H new ATOM 0 HD22 LEU A 124 101.115 11.464 1.752 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.164 11.025 0.028 1.00 1.00 H new ATOM 1762 N ILE A 125 101.043 6.435 3.683 1.00 1.00 N ATOM 1763 CA ILE A 125 101.631 5.129 3.948 1.00 1.00 C ATOM 1764 C ILE A 125 100.884 4.094 3.151 1.00 1.00 C ATOM 1765 O ILE A 125 99.681 4.214 2.956 1.00 1.00 O ATOM 1766 CB ILE A 125 101.509 4.779 5.447 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.616 3.243 5.646 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.152 5.252 5.971 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.702 2.873 7.119 1.00 1.00 C ATOM 0 H ILE A 125 100.047 6.489 3.898 1.00 1.00 H new ATOM 0 HA ILE A 125 102.685 5.148 3.669 1.00 1.00 H new ATOM 0 HB ILE A 125 102.314 5.273 5.991 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.749 2.756 5.198 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.497 2.869 5.124 1.00 1.00 H new ATOM 0 HG21 ILE A 125 100.065 5.006 7.029 1.00 1.00 H new ATOM 0 HG22 ILE A 125 100.068 6.331 5.842 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.355 4.757 5.416 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.776 1.790 7.218 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.583 3.339 7.560 1.00 1.00 H new ATOM 0 HD13 ILE A 125 100.809 3.225 7.635 1.00 1.00 H new ATOM 1776 N PHE A 126 101.590 3.049 2.735 1.00 1.00 N ATOM 1777 CA PHE A 126 100.951 1.969 2.007 1.00 1.00 C ATOM 1778 C PHE A 126 101.461 0.618 2.472 1.00 1.00 C ATOM 1779 O PHE A 126 102.614 0.481 2.881 1.00 1.00 O ATOM 1780 CB PHE A 126 101.198 2.099 0.508 1.00 1.00 C ATOM 1781 CG PHE A 126 101.207 3.550 0.122 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.156 4.090 -0.623 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.276 4.353 0.508 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.180 5.443 -0.977 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.300 5.698 0.155 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.256 6.244 -0.585 1.00 1.00 C ATOM 0 H PHE A 126 102.591 2.930 2.888 1.00 1.00 H new ATOM 0 HA PHE A 126 99.882 2.038 2.206 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.149 1.637 0.245 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.422 1.570 -0.046 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.328 3.465 -0.924 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.088 3.931 1.082 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.370 5.867 -1.551 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.130 6.320 0.456 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.277 7.289 -0.857 1.00 1.00 H new ATOM 1796 N LYS A 127 100.601 -0.390 2.361 1.00 1.00 N ATOM 1797 CA LYS A 127 100.969 -1.739 2.718 1.00 1.00 C ATOM 1798 C LYS A 127 101.281 -2.433 1.421 1.00 1.00 C ATOM 1799 O LYS A 127 100.460 -2.409 0.520 1.00 1.00 O ATOM 1800 CB LYS A 127 99.815 -2.468 3.454 1.00 1.00 C ATOM 1801 CG LYS A 127 98.739 -1.487 3.926 1.00 1.00 C ATOM 1802 CD LYS A 127 99.298 -0.531 4.994 1.00 1.00 C ATOM 1803 CE LYS A 127 98.189 0.411 5.461 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.715 1.294 6.540 1.00 1.00 N ATOM 0 H LYS A 127 99.643 -0.288 2.025 1.00 1.00 H new ATOM 0 HA LYS A 127 101.819 -1.742 3.400 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.368 -3.207 2.789 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.215 -3.011 4.311 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.367 -0.913 3.077 1.00 1.00 H new ATOM 0 HG3 LYS A 127 97.892 -2.039 4.334 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.688 -1.099 5.839 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.130 0.043 4.585 1.00 1.00 H new ATOM 0 HE2 LYS A 127 97.831 1.012 4.625 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.338 -0.164 5.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.279 2.235 6.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 98.487 0.882 7.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.747 1.382 6.445 1.00 1.00 H new ATOM 1818 N ILE A 128 102.478 -2.987 1.280 1.00 1.00 N ATOM 1819 CA ILE A 128 102.831 -3.609 -0.001 1.00 1.00 C ATOM 1820 C ILE A 128 103.155 -5.089 0.125 1.00 1.00 C ATOM 1821 O ILE A 128 104.103 -5.494 0.799 1.00 1.00 O ATOM 1822 CB ILE A 128 104.007 -2.844 -0.637 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.838 -1.342 -0.317 1.00 1.00 C ATOM 1824 CG2 ILE A 128 103.966 -3.058 -2.156 1.00 1.00 C ATOM 1825 CD1 ILE A 128 104.943 -0.495 -0.958 1.00 1.00 C ATOM 0 H ILE A 128 103.199 -3.022 2.001 1.00 1.00 H new ATOM 0 HA ILE A 128 101.955 -3.546 -0.647 1.00 1.00 H new ATOM 0 HB ILE A 128 104.960 -3.200 -0.245 1.00 1.00 H new ATOM 0 HG12 ILE A 128 102.866 -1.002 -0.674 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.850 -1.197 0.763 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.793 -2.522 -2.621 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.053 -4.122 -2.376 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.022 -2.682 -2.551 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.788 0.555 -0.709 1.00 1.00 H new ATOM 0 HD12 ILE A 128 105.914 -0.818 -0.581 1.00 1.00 H new ATOM 0 HD13 ILE A 128 104.915 -0.619 -2.041 1.00 1.00 H new ATOM 1832 N HIS A 129 102.345 -5.881 -0.579 1.00 1.00 N ATOM 1833 CA HIS A 129 102.490 -7.330 -0.633 1.00 1.00 C ATOM 1834 C HIS A 129 102.963 -7.720 -2.022 1.00 1.00 C ATOM 1835 O HIS A 129 102.320 -7.371 -3.010 1.00 1.00 O ATOM 1836 CB HIS A 129 101.143 -7.993 -0.350 1.00 1.00 C ATOM 1837 CG HIS A 129 101.252 -9.474 -0.575 1.00 1.00 C ATOM 1838 ND1 HIS A 129 100.200 -10.201 -1.095 1.00 1.00 N ATOM 1839 CD2 HIS A 129 102.291 -10.368 -0.414 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.613 -11.466 -1.242 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.878 -11.628 -0.848 1.00 1.00 N ATOM 0 H HIS A 129 101.564 -5.528 -1.132 1.00 1.00 H new ATOM 0 HA HIS A 129 103.213 -7.658 0.114 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.837 -7.793 0.677 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.376 -7.572 -1.000 1.00 1.00 H new ATOM 0 HD2 HIS A 129 103.267 -10.131 -0.016 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.996 -12.261 -1.633 1.00 1.00 H new ATOM 0 HE2 HIS A 129 102.425 -12.489 -0.861 1.00 1.00 H new ATOM 1849 N LEU A 130 104.095 -8.420 -2.116 1.00 1.00 N ATOM 1850 CA LEU A 130 104.622 -8.801 -3.427 1.00 1.00 C ATOM 1851 C LEU A 130 104.196 -10.216 -3.833 1.00 1.00 C ATOM 1852 O LEU A 130 104.630 -11.206 -3.245 1.00 1.00 O ATOM 1853 CB LEU A 130 106.158 -8.677 -3.422 1.00 1.00 C ATOM 1854 CG LEU A 130 106.639 -7.961 -4.691 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.159 -7.766 -4.649 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.274 -8.794 -5.924 1.00 1.00 C ATOM 0 H LEU A 130 104.653 -8.729 -1.320 1.00 1.00 H new ATOM 0 HA LEU A 130 104.203 -8.120 -4.168 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.482 -8.125 -2.540 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.609 -9.667 -3.362 1.00 1.00 H new ATOM 0 HG LEU A 130 106.154 -6.987 -4.746 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.486 -7.257 -5.556 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.425 -7.165 -3.779 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.649 -8.737 -4.582 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.617 -8.282 -6.823 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.752 -9.771 -5.858 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.192 -8.922 -5.970 1.00 1.00 H new ATOM 1868 N ILE A 131 103.336 -10.287 -4.853 1.00 1.00 N ATOM 1869 CA ILE A 131 102.839 -11.560 -5.359 1.00 1.00 C ATOM 1870 C ILE A 131 103.692 -12.067 -6.526 1.00 1.00 C ATOM 1871 O ILE A 131 104.034 -13.248 -6.575 1.00 1.00 O ATOM 1872 CB ILE A 131 101.380 -11.386 -5.803 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.484 -11.129 -4.579 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.899 -12.660 -6.487 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.469 -9.659 -4.199 1.00 1.00 C ATOM 0 H ILE A 131 102.971 -9.471 -5.344 1.00 1.00 H new ATOM 0 HA ILE A 131 102.899 -12.302 -4.563 1.00 1.00 H new ATOM 0 HB ILE A 131 101.323 -10.541 -6.490 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.468 -11.461 -4.794 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.840 -11.720 -3.735 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.863 -12.535 -6.802 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.521 -12.862 -7.359 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.968 -13.495 -5.790 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.826 -9.514 -3.331 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.482 -9.335 -3.959 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.088 -9.071 -5.034 1.00 1.00 H new ATOM 1882 N SER A 132 104.033 -11.183 -7.467 1.00 1.00 N ATOM 1883 CA SER A 132 104.844 -11.594 -8.620 1.00 1.00 C ATOM 1884 C SER A 132 105.664 -10.424 -9.158 1.00 1.00 C ATOM 1885 O SER A 132 105.334 -9.260 -8.932 1.00 1.00 O ATOM 1886 CB SER A 132 103.938 -12.139 -9.728 1.00 1.00 C ATOM 1887 OG SER A 132 103.496 -11.067 -10.547 1.00 1.00 O ATOM 0 H SER A 132 103.768 -10.198 -7.457 1.00 1.00 H new ATOM 0 HA SER A 132 105.530 -12.375 -8.291 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.479 -12.870 -10.328 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.082 -12.655 -9.292 1.00 1.00 H new ATOM 0 HG SER A 132 102.917 -11.415 -11.257 1.00 1.00 H new ATOM 1893 N VAL A 133 106.761 -10.747 -9.848 1.00 1.00 N ATOM 1894 CA VAL A 133 107.662 -9.733 -10.399 1.00 1.00 C ATOM 1895 C VAL A 133 107.942 -10.013 -11.874 1.00 1.00 C ATOM 1896 O VAL A 133 108.225 -11.147 -12.259 1.00 1.00 O ATOM 1897 CB VAL A 133 108.976 -9.763 -9.623 1.00 1.00 C ATOM 1898 CG1 VAL A 133 109.906 -8.669 -10.143 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.672 -9.520 -8.154 1.00 1.00 C ATOM 0 H VAL A 133 107.047 -11.707 -10.039 1.00 1.00 H new ATOM 0 HA VAL A 133 107.193 -8.753 -10.310 1.00 1.00 H new ATOM 0 HB VAL A 133 109.464 -10.730 -9.750 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.843 -8.693 -9.587 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.108 -8.836 -11.201 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.432 -7.696 -10.013 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.600 -9.538 -7.583 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.193 -8.548 -8.038 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.005 -10.300 -7.787 1.00 1.00 H new ATOM 1903 N LYS A 134 107.875 -8.970 -12.685 1.00 1.00 N ATOM 1904 CA LYS A 134 108.128 -9.085 -14.107 1.00 1.00 C ATOM 1905 C LYS A 134 109.613 -9.289 -14.368 1.00 1.00 C ATOM 1906 O LYS A 134 110.099 -10.408 -14.532 1.00 1.00 O ATOM 1907 CB LYS A 134 107.651 -7.790 -14.763 1.00 1.00 C ATOM 1908 CG LYS A 134 108.119 -7.653 -16.227 1.00 1.00 C ATOM 1909 CD LYS A 134 107.652 -8.842 -17.066 1.00 1.00 C ATOM 1910 CE LYS A 134 108.311 -8.782 -18.446 1.00 1.00 C ATOM 1911 NZ LYS A 134 107.641 -7.735 -19.269 1.00 1.00 N ATOM 0 H LYS A 134 107.645 -8.026 -12.376 1.00 1.00 H new ATOM 0 HA LYS A 134 107.598 -9.944 -14.519 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.562 -7.751 -14.729 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.018 -6.940 -14.188 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.729 -6.728 -16.652 1.00 1.00 H new ATOM 0 HG3 LYS A 134 109.206 -7.585 -16.260 1.00 1.00 H new ATOM 0 HD2 LYS A 134 107.911 -9.776 -16.568 1.00 1.00 H new ATOM 0 HD3 LYS A 134 106.567 -8.825 -17.168 1.00 1.00 H new ATOM 0 HE2 LYS A 134 109.373 -8.557 -18.345 1.00 1.00 H new ATOM 0 HE3 LYS A 134 108.236 -9.751 -18.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 108.065 -7.716 -20.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 106.627 -7.951 -19.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 107.763 -6.807 -18.817 1.00 1.00 H new