USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=38 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= 0.179 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.666 USER MOD Set 2.1: A 98 THR OG1 : rot 180:sc=-0.00648 USER MOD Set 2.2: A 129 HIS : no HE2:sc= -2.02 X(o=-2,f=-1.8!) USER MOD Set 3.1: A 80 SER OG : rot -92:sc= 0.669 USER MOD Set 3.2: A 81 GLN :FLIP amide:sc= 0.113 F(o=-0.13,f=0.78) USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 142:sc= 1.89 USER MOD Set 5.1: A 47 LYS NZ :NH3+ 151:sc= 0.362 (180deg=-0.0409) USER MOD Set 5.2: A 48 SER OG : rot -173:sc= 0.335 USER MOD Set 6.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 102 TYR OH : rot -55:sc= 0.164 USER MOD Single : A 8 ASN : amide:sc= -1.17! C(o=-1.2!,f=-5.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.119 (180deg=-0.816) USER MOD Single : A 17 THR OG1 : rot 105:sc= 0.791 USER MOD Single : A 19 ASN : amide:sc= -11.2! 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= 0.99 K(o=0.99,f=-0.48) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00988 USER MOD Single : A 33 GLN : amide:sc= -3.7! C(o=-3.7!,f=-5.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.811 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -2.38! (180deg=-2.41!) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.18 F(o=-2.9!,f=-1.2) USER MOD Single : A 39 SER OG : rot -8:sc= 0.663! USER MOD Single : A 41 ASN :FLIP amide:sc= -0.519 F(o=-5.2!,f=-0.52) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -2.33! (180deg=-2.41!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 56 THR OG1 : rot 145:sc= -1.76 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+ -164:sc= 0.0107 (180deg=0.00295) USER MOD Single : A 71 THR OG1 : rot 9:sc= 0.327 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.142 (180deg=-0.795) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0157 F(o=-2!,f=-0.016) USER MOD Single : A 87 THR OG1 : rot 68:sc= 0.342 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.406 F(o=-0.99,f=-0.41) USER MOD Single : A 93 MET CE :methyl -119:sc= -0.593 (180deg=-5.83!) USER MOD Single : A 97 SER OG : rot -92:sc= -0.442 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 160:sc= -3.73! USER MOD Single : A 121 ASN : amide:sc= 0.476 K(o=0.48,f=-0.024) USER MOD Single : A 123 THR OG1 : rot 150:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.21) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.366 20.951 10.221 1.00 1.00 N ATOM 104 CA GLU A 7 97.765 19.804 10.892 1.00 1.00 C ATOM 105 C GLU A 7 98.310 18.505 10.333 1.00 1.00 C ATOM 106 O GLU A 7 98.776 17.643 11.063 1.00 1.00 O ATOM 107 CB GLU A 7 96.256 19.809 10.717 1.00 1.00 C ATOM 108 CG GLU A 7 95.708 21.214 10.926 1.00 1.00 C ATOM 109 CD GLU A 7 94.184 21.184 10.948 1.00 1.00 C ATOM 110 OE1 GLU A 7 93.629 20.106 10.807 1.00 1.00 O ATOM 111 OE2 GLU A 7 93.592 22.240 11.104 1.00 1.00 O ATOM 0 HA GLU A 7 98.014 19.880 11.951 1.00 1.00 H new ATOM 0 HB2 GLU A 7 95.997 19.454 9.719 1.00 1.00 H new ATOM 0 HB3 GLU A 7 95.798 19.122 11.429 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.085 21.624 11.863 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.055 21.871 10.128 1.00 1.00 H new ATOM 118 N ASN A 8 98.255 18.380 9.031 1.00 1.00 N ATOM 119 CA ASN A 8 98.751 17.179 8.377 1.00 1.00 C ATOM 120 C ASN A 8 100.236 17.073 8.652 1.00 1.00 C ATOM 121 O ASN A 8 100.797 15.991 8.830 1.00 1.00 O ATOM 122 CB ASN A 8 98.509 17.284 6.879 1.00 1.00 C ATOM 123 CG ASN A 8 97.085 17.728 6.592 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.275 17.887 7.505 1.00 1.00 O ATOM 125 ND2 ASN A 8 96.742 17.941 5.357 1.00 1.00 N ATOM 0 H ASN A 8 97.876 19.086 8.400 1.00 1.00 H new ATOM 0 HA ASN A 8 98.236 16.296 8.756 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.211 17.994 6.442 1.00 1.00 H new ATOM 0 HB3 ASN A 8 98.696 16.319 6.407 1.00 1.00 H new ATOM 0 HD21 ASN A 8 95.793 18.243 5.136 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.422 17.806 4.608 1.00 1.00 H new ATOM 132 N LYS A 9 100.844 18.234 8.685 1.00 1.00 N ATOM 133 CA LYS A 9 102.270 18.372 8.938 1.00 1.00 C ATOM 134 C LYS A 9 102.649 17.933 10.357 1.00 1.00 C ATOM 135 O LYS A 9 103.582 17.160 10.533 1.00 1.00 O ATOM 136 CB LYS A 9 102.613 19.839 8.711 1.00 1.00 C ATOM 137 CG LYS A 9 103.970 20.225 9.277 1.00 1.00 C ATOM 138 CD LYS A 9 104.292 21.665 8.873 1.00 1.00 C ATOM 139 CE LYS A 9 105.690 22.042 9.365 1.00 1.00 C ATOM 140 NZ LYS A 9 105.979 23.454 8.987 1.00 1.00 N ATOM 0 H LYS A 9 100.364 19.122 8.536 1.00 1.00 H new ATOM 0 HA LYS A 9 102.835 17.725 8.267 1.00 1.00 H new ATOM 0 HB2 LYS A 9 102.598 20.049 7.641 1.00 1.00 H new ATOM 0 HB3 LYS A 9 101.844 20.461 9.168 1.00 1.00 H new ATOM 0 HG2 LYS A 9 103.964 20.132 10.363 1.00 1.00 H new ATOM 0 HG3 LYS A 9 104.739 19.549 8.903 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.238 21.769 7.789 1.00 1.00 H new ATOM 0 HD3 LYS A 9 103.552 22.345 9.296 1.00 1.00 H new ATOM 0 HE2 LYS A 9 105.752 21.923 10.447 1.00 1.00 H new ATOM 0 HE3 LYS A 9 106.434 21.376 8.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 106.929 23.715 9.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 105.935 23.552 7.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 105.275 24.082 9.425 1.00 1.00 H new ATOM 154 N VAL A 10 101.938 18.421 11.373 1.00 1.00 N ATOM 155 CA VAL A 10 102.275 18.040 12.746 1.00 1.00 C ATOM 156 C VAL A 10 102.013 16.562 12.978 1.00 1.00 C ATOM 157 O VAL A 10 102.875 15.846 13.487 1.00 1.00 O ATOM 158 CB VAL A 10 101.487 18.884 13.759 1.00 1.00 C ATOM 159 CG1 VAL A 10 101.670 18.309 15.154 1.00 1.00 C ATOM 160 CG2 VAL A 10 101.996 20.331 13.733 1.00 1.00 C ATOM 0 H VAL A 10 101.149 19.061 11.279 1.00 1.00 H new ATOM 0 HA VAL A 10 103.338 18.230 12.892 1.00 1.00 H new ATOM 0 HB VAL A 10 100.430 18.867 13.495 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.110 18.909 15.871 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.304 17.283 15.175 1.00 1.00 H new ATOM 0 HG13 VAL A 10 102.728 18.322 15.417 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.435 20.927 14.453 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.054 20.349 13.993 1.00 1.00 H new ATOM 0 HG23 VAL A 10 101.861 20.746 12.734 1.00 1.00 H new ATOM 164 N LYS A 11 100.840 16.104 12.586 1.00 1.00 N ATOM 165 CA LYS A 11 100.513 14.707 12.745 1.00 1.00 C ATOM 166 C LYS A 11 101.485 13.907 11.909 1.00 1.00 C ATOM 167 O LYS A 11 101.910 12.821 12.293 1.00 1.00 O ATOM 168 CB LYS A 11 99.072 14.442 12.309 1.00 1.00 C ATOM 169 CG LYS A 11 98.075 14.877 13.406 1.00 1.00 C ATOM 170 CD LYS A 11 97.803 16.385 13.319 1.00 1.00 C ATOM 171 CE LYS A 11 97.187 16.886 14.630 1.00 1.00 C ATOM 172 NZ LYS A 11 96.316 15.825 15.214 1.00 1.00 N ATOM 0 H LYS A 11 100.108 16.673 12.161 1.00 1.00 H new ATOM 0 HA LYS A 11 100.593 14.415 13.792 1.00 1.00 H new ATOM 0 HB2 LYS A 11 98.862 14.982 11.386 1.00 1.00 H new ATOM 0 HB3 LYS A 11 98.942 13.381 12.094 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.141 14.326 13.296 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.476 14.630 14.389 1.00 1.00 H new ATOM 0 HD2 LYS A 11 98.732 16.919 13.117 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.129 16.593 12.488 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.975 17.152 15.335 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.604 17.789 14.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.673 16.249 15.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.759 15.378 14.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.908 15.107 15.679 1.00 1.00 H new ATOM 186 N GLY A 12 101.831 14.474 10.763 1.00 1.00 N ATOM 187 CA GLY A 12 102.763 13.831 9.848 1.00 1.00 C ATOM 188 C GLY A 12 104.197 13.887 10.354 1.00 1.00 C ATOM 189 O GLY A 12 104.931 12.905 10.255 1.00 1.00 O ATOM 0 H GLY A 12 101.481 15.377 10.444 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.470 12.791 9.706 1.00 1.00 H new ATOM 0 HA3 GLY A 12 102.704 14.315 8.873 1.00 1.00 H new ATOM 193 N GLU A 13 104.608 15.024 10.899 1.00 1.00 N ATOM 194 CA GLU A 13 105.971 15.124 11.408 1.00 1.00 C ATOM 195 C GLU A 13 106.139 14.131 12.541 1.00 1.00 C ATOM 196 O GLU A 13 107.223 13.595 12.762 1.00 1.00 O ATOM 197 CB GLU A 13 106.290 16.539 11.914 1.00 1.00 C ATOM 198 CG GLU A 13 106.591 17.467 10.738 1.00 1.00 C ATOM 199 CD GLU A 13 106.822 18.886 11.246 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.088 19.750 10.426 1.00 1.00 O ATOM 201 OE2 GLU A 13 106.731 19.087 12.445 1.00 1.00 O ATOM 0 H GLU A 13 104.040 15.865 10.999 1.00 1.00 H new ATOM 0 HA GLU A 13 106.661 14.903 10.593 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.447 16.927 12.486 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.145 16.507 12.589 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.472 17.115 10.201 1.00 1.00 H new ATOM 0 HG3 GLU A 13 105.761 17.454 10.031 1.00 1.00 H new ATOM 208 N ALA A 14 105.043 13.896 13.252 1.00 1.00 N ATOM 209 CA ALA A 14 105.040 12.973 14.362 1.00 1.00 C ATOM 210 C ALA A 14 104.999 11.541 13.846 1.00 1.00 C ATOM 211 O ALA A 14 105.568 10.623 14.438 1.00 1.00 O ATOM 212 CB ALA A 14 103.820 13.227 15.248 1.00 1.00 C ATOM 0 H ALA A 14 104.142 14.339 13.072 1.00 1.00 H new ATOM 0 HA ALA A 14 105.949 13.122 14.945 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.825 12.527 16.083 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.854 14.247 15.630 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.911 13.088 14.663 1.00 1.00 H new ATOM 218 N PHE A 15 104.290 11.376 12.740 1.00 1.00 N ATOM 219 CA PHE A 15 104.114 10.082 12.108 1.00 1.00 C ATOM 220 C PHE A 15 105.449 9.495 11.682 1.00 1.00 C ATOM 221 O PHE A 15 105.759 8.344 11.989 1.00 1.00 O ATOM 222 CB PHE A 15 103.221 10.319 10.907 1.00 1.00 C ATOM 223 CG PHE A 15 102.791 9.036 10.273 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.435 8.595 9.123 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.707 8.329 10.798 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.992 7.442 8.484 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.273 7.162 10.168 1.00 1.00 C ATOM 228 CZ PHE A 15 101.913 6.722 9.009 1.00 1.00 C ATOM 0 H PHE A 15 103.819 12.140 12.255 1.00 1.00 H new ATOM 0 HA PHE A 15 103.669 9.365 12.798 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.342 10.885 11.214 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.751 10.927 10.174 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.276 9.145 8.727 1.00 1.00 H new ATOM 0 HD2 PHE A 15 101.207 8.684 11.687 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.481 7.102 7.583 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.445 6.602 10.576 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.575 5.823 8.515 1.00 1.00 H new ATOM 238 N LEU A 16 106.245 10.296 11.001 1.00 1.00 N ATOM 239 CA LEU A 16 107.559 9.835 10.577 1.00 1.00 C ATOM 240 C LEU A 16 108.459 9.697 11.784 1.00 1.00 C ATOM 241 O LEU A 16 109.278 8.783 11.861 1.00 1.00 O ATOM 242 CB LEU A 16 108.193 10.799 9.567 1.00 1.00 C ATOM 243 CG LEU A 16 107.500 10.686 8.185 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.335 11.687 8.064 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.534 10.958 7.095 1.00 1.00 C ATOM 0 H LEU A 16 106.014 11.252 10.732 1.00 1.00 H new ATOM 0 HA LEU A 16 107.439 8.868 10.089 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.114 11.822 9.935 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.255 10.578 9.465 1.00 1.00 H new ATOM 0 HG LEU A 16 107.090 9.682 8.075 1.00 1.00 H new ATOM 0 HD11 LEU A 16 105.868 11.585 7.084 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.598 11.483 8.841 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.714 12.702 8.181 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.060 10.882 6.117 1.00 1.00 H new ATOM 0 HD22 LEU A 16 108.943 11.960 7.223 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.339 10.226 7.166 1.00 1.00 H new ATOM 257 N THR A 17 108.297 10.612 12.725 1.00 1.00 N ATOM 258 CA THR A 17 109.098 10.582 13.934 1.00 1.00 C ATOM 259 C THR A 17 108.834 9.289 14.693 1.00 1.00 C ATOM 260 O THR A 17 109.751 8.641 15.196 1.00 1.00 O ATOM 261 CB THR A 17 108.751 11.759 14.840 1.00 1.00 C ATOM 262 OG1 THR A 17 109.008 12.982 14.167 1.00 1.00 O ATOM 263 CG2 THR A 17 109.596 11.687 16.100 1.00 1.00 C ATOM 0 H THR A 17 107.625 11.377 12.675 1.00 1.00 H new ATOM 0 HA THR A 17 110.148 10.645 13.649 1.00 1.00 H new ATOM 0 HB THR A 17 107.694 11.712 15.101 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.160 13.383 13.883 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.351 12.527 16.751 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.392 10.752 16.622 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.652 11.731 15.833 1.00 1.00 H new ATOM 271 N GLU A 18 107.555 8.945 14.787 1.00 1.00 N ATOM 272 CA GLU A 18 107.129 7.754 15.489 1.00 1.00 C ATOM 273 C GLU A 18 107.377 6.482 14.685 1.00 1.00 C ATOM 274 O GLU A 18 107.831 5.476 15.227 1.00 1.00 O ATOM 275 CB GLU A 18 105.650 7.876 15.843 1.00 1.00 C ATOM 276 CG GLU A 18 105.197 6.652 16.639 1.00 1.00 C ATOM 277 CD GLU A 18 103.768 6.854 17.130 1.00 1.00 C ATOM 278 OE1 GLU A 18 103.133 7.791 16.674 1.00 1.00 O ATOM 279 OE2 GLU A 18 103.330 6.071 17.958 1.00 1.00 O ATOM 0 H GLU A 18 106.792 9.485 14.379 1.00 1.00 H new ATOM 0 HA GLU A 18 107.726 7.673 16.398 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.481 8.781 16.426 1.00 1.00 H new ATOM 0 HB3 GLU A 18 105.057 7.968 14.933 1.00 1.00 H new ATOM 0 HG2 GLU A 18 105.254 5.760 16.015 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.863 6.491 17.487 1.00 1.00 H new ATOM 286 N ASN A 19 107.038 6.516 13.400 1.00 1.00 N ATOM 287 CA ASN A 19 107.189 5.329 12.557 1.00 1.00 C ATOM 288 C ASN A 19 108.622 4.838 12.472 1.00 1.00 C ATOM 289 O ASN A 19 108.876 3.640 12.584 1.00 1.00 O ATOM 290 CB ASN A 19 106.697 5.631 11.154 1.00 1.00 C ATOM 291 CG ASN A 19 106.759 4.369 10.318 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.221 3.333 10.709 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.399 4.389 9.194 1.00 1.00 N ATOM 0 H ASN A 19 106.663 7.336 12.923 1.00 1.00 H new ATOM 0 HA ASN A 19 106.596 4.541 13.022 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.675 6.008 11.188 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.310 6.411 10.702 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.460 3.544 8.627 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.843 5.250 8.875 1.00 1.00 H new ATOM 300 N LYS A 20 109.554 5.744 12.278 1.00 1.00 N ATOM 301 CA LYS A 20 110.953 5.341 12.179 1.00 1.00 C ATOM 302 C LYS A 20 111.388 4.672 13.473 1.00 1.00 C ATOM 303 O LYS A 20 112.278 3.821 13.479 1.00 1.00 O ATOM 304 CB LYS A 20 111.844 6.549 11.893 1.00 1.00 C ATOM 305 CG LYS A 20 111.744 7.541 13.049 1.00 1.00 C ATOM 306 CD LYS A 20 112.320 8.895 12.616 1.00 1.00 C ATOM 307 CE LYS A 20 113.830 8.783 12.411 1.00 1.00 C ATOM 308 NZ LYS A 20 114.416 10.150 12.326 1.00 1.00 N ATOM 0 H LYS A 20 109.383 6.745 12.186 1.00 1.00 H new ATOM 0 HA LYS A 20 111.054 4.635 11.355 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.878 6.229 11.763 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.539 7.027 10.962 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.704 7.657 13.353 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.288 7.163 13.914 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.843 9.223 11.692 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.103 9.650 13.372 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.281 8.232 13.236 1.00 1.00 H new ATOM 0 HE3 LYS A 20 114.045 8.225 11.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.444 10.079 12.186 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 113.992 10.660 11.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.221 10.667 13.207 1.00 1.00 H new ATOM 322 N ASN A 21 110.748 5.070 14.568 1.00 1.00 N ATOM 323 CA ASN A 21 111.059 4.513 15.881 1.00 1.00 C ATOM 324 C ASN A 21 110.332 3.195 16.107 1.00 1.00 C ATOM 325 O ASN A 21 110.792 2.350 16.874 1.00 1.00 O ATOM 326 CB ASN A 21 110.671 5.525 16.971 1.00 1.00 C ATOM 327 CG ASN A 21 111.785 6.551 17.168 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.846 6.222 17.701 1.00 1.00 O ATOM 329 ND2 ASN A 21 111.604 7.781 16.772 1.00 1.00 N ATOM 0 H ASN A 21 110.011 5.776 14.573 1.00 1.00 H new ATOM 0 HA ASN A 21 112.130 4.315 15.929 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.747 6.032 16.693 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.479 5.003 17.909 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.342 8.473 16.903 1.00 1.00 H new ATOM 0 HD22 ASN A 21 110.725 8.051 16.331 1.00 1.00 H new ATOM 336 N LYS A 22 109.183 3.035 15.465 1.00 1.00 N ATOM 337 CA LYS A 22 108.397 1.828 15.637 1.00 1.00 C ATOM 338 C LYS A 22 109.195 0.570 15.227 1.00 1.00 C ATOM 339 O LYS A 22 109.896 0.593 14.215 1.00 1.00 O ATOM 340 CB LYS A 22 107.112 1.936 14.804 1.00 1.00 C ATOM 341 CG LYS A 22 106.063 2.840 15.508 1.00 1.00 C ATOM 342 CD LYS A 22 104.637 2.350 15.208 1.00 1.00 C ATOM 343 CE LYS A 22 104.307 2.601 13.739 1.00 1.00 C ATOM 344 NZ LYS A 22 103.132 1.771 13.346 1.00 1.00 N ATOM 0 H LYS A 22 108.780 3.721 14.827 1.00 1.00 H new ATOM 0 HA LYS A 22 108.145 1.727 16.693 1.00 1.00 H new ATOM 0 HB2 LYS A 22 107.346 2.343 13.820 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.693 0.942 14.646 1.00 1.00 H new ATOM 0 HG2 LYS A 22 106.236 2.836 16.584 1.00 1.00 H new ATOM 0 HG3 LYS A 22 106.178 3.870 15.170 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.552 1.287 15.434 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.922 2.869 15.846 1.00 1.00 H new ATOM 0 HE2 LYS A 22 104.090 3.657 13.579 1.00 1.00 H new ATOM 0 HE3 LYS A 22 105.166 2.354 13.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.906 1.941 12.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 103.356 0.765 13.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 102.314 2.028 13.934 1.00 1.00 H new ATOM 358 N PRO A 23 109.104 -0.530 15.968 1.00 1.00 N ATOM 359 CA PRO A 23 109.838 -1.793 15.618 1.00 1.00 C ATOM 360 C PRO A 23 109.520 -2.310 14.213 1.00 1.00 C ATOM 361 O PRO A 23 108.411 -2.141 13.706 1.00 1.00 O ATOM 362 CB PRO A 23 109.380 -2.810 16.679 1.00 1.00 C ATOM 363 CG PRO A 23 108.904 -1.986 17.823 1.00 1.00 C ATOM 364 CD PRO A 23 108.326 -0.710 17.216 1.00 1.00 C ATOM 0 HA PRO A 23 110.915 -1.622 15.613 1.00 1.00 H new ATOM 0 HB2 PRO A 23 108.585 -3.449 16.295 1.00 1.00 H new ATOM 0 HB3 PRO A 23 110.199 -3.464 16.978 1.00 1.00 H new ATOM 0 HG2 PRO A 23 108.149 -2.520 18.400 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.723 -1.757 18.505 1.00 1.00 H new ATOM 0 HD2 PRO A 23 107.260 -0.811 17.012 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.443 0.141 17.887 1.00 1.00 H new ATOM 372 N GLY A 24 110.513 -2.951 13.607 1.00 1.00 N ATOM 373 CA GLY A 24 110.373 -3.521 12.274 1.00 1.00 C ATOM 374 C GLY A 24 110.539 -2.468 11.197 1.00 1.00 C ATOM 375 O GLY A 24 110.810 -2.790 10.043 1.00 1.00 O ATOM 0 H GLY A 24 111.433 -3.089 14.024 1.00 1.00 H new ATOM 0 HA2 GLY A 24 111.116 -4.306 12.134 1.00 1.00 H new ATOM 0 HA3 GLY A 24 109.393 -3.989 12.179 1.00 1.00 H new ATOM 379 N VAL A 25 110.392 -1.207 11.576 1.00 1.00 N ATOM 380 CA VAL A 25 110.539 -0.122 10.618 1.00 1.00 C ATOM 381 C VAL A 25 112.009 0.247 10.472 1.00 1.00 C ATOM 382 O VAL A 25 112.735 0.366 11.460 1.00 1.00 O ATOM 383 CB VAL A 25 109.776 1.132 11.078 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.864 2.226 10.009 1.00 1.00 C ATOM 385 CG2 VAL A 25 108.309 0.813 11.350 1.00 1.00 C ATOM 0 H VAL A 25 110.174 -0.912 12.528 1.00 1.00 H new ATOM 0 HA VAL A 25 110.132 -0.466 9.667 1.00 1.00 H new ATOM 0 HB VAL A 25 110.237 1.482 12.002 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.320 3.109 10.346 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.909 2.486 9.840 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.426 1.863 9.080 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.794 1.717 11.674 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.844 0.436 10.439 1.00 1.00 H new ATOM 0 HG23 VAL A 25 108.240 0.057 12.132 1.00 1.00 H new ATOM 389 N VAL A 26 112.428 0.466 9.235 1.00 1.00 N ATOM 390 CA VAL A 26 113.805 0.870 8.950 1.00 1.00 C ATOM 391 C VAL A 26 113.767 2.186 8.185 1.00 1.00 C ATOM 392 O VAL A 26 113.196 2.254 7.100 1.00 1.00 O ATOM 393 CB VAL A 26 114.484 -0.206 8.101 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.843 0.268 7.609 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.651 -1.473 8.922 1.00 1.00 C ATOM 0 H VAL A 26 111.837 0.372 8.409 1.00 1.00 H new ATOM 0 HA VAL A 26 114.366 0.994 9.876 1.00 1.00 H new ATOM 0 HB VAL A 26 113.856 -0.409 7.234 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.306 -0.515 7.008 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.718 1.165 7.003 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.481 0.494 8.464 1.00 1.00 H new ATOM 0 HG21 VAL A 26 115.135 -2.238 8.315 1.00 1.00 H new ATOM 0 HG22 VAL A 26 115.265 -1.261 9.797 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.673 -1.830 9.244 1.00 1.00 H new ATOM 399 N VAL A 27 114.371 3.234 8.749 1.00 1.00 N ATOM 400 CA VAL A 27 114.371 4.548 8.099 1.00 1.00 C ATOM 401 C VAL A 27 115.619 4.759 7.286 1.00 1.00 C ATOM 402 O VAL A 27 116.704 4.293 7.634 1.00 1.00 O ATOM 403 CB VAL A 27 114.197 5.677 9.134 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.307 5.598 10.152 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.215 7.064 8.469 1.00 1.00 C ATOM 0 H VAL A 27 114.861 3.201 9.643 1.00 1.00 H new ATOM 0 HA VAL A 27 113.521 4.576 7.418 1.00 1.00 H new ATOM 0 HB VAL A 27 113.229 5.545 9.617 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.186 6.396 10.885 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.270 4.633 10.657 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.269 5.709 9.651 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.090 7.834 9.230 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.167 7.210 7.958 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.401 7.132 7.747 1.00 1.00 H new ATOM 409 N LEU A 28 115.433 5.473 6.174 1.00 1.00 N ATOM 410 CA LEU A 28 116.527 5.766 5.259 1.00 1.00 C ATOM 411 C LEU A 28 116.855 7.255 5.279 1.00 1.00 C ATOM 412 O LEU A 28 116.063 8.059 5.773 1.00 1.00 O ATOM 413 CB LEU A 28 116.129 5.365 3.835 1.00 1.00 C ATOM 414 CG LEU A 28 115.789 3.878 3.764 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.204 3.568 2.384 1.00 1.00 C ATOM 416 CD2 LEU A 28 117.061 3.047 3.975 1.00 1.00 C ATOM 0 H LEU A 28 114.532 5.857 5.889 1.00 1.00 H new ATOM 0 HA LEU A 28 117.403 5.201 5.576 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.270 5.954 3.513 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.945 5.589 3.148 1.00 1.00 H new ATOM 0 HG LEU A 28 115.065 3.630 4.540 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.958 2.508 2.323 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.302 4.160 2.230 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.936 3.815 1.615 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.815 1.986 3.924 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.787 3.289 3.199 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.486 3.274 4.953 1.00 1.00 H new ATOM 428 N PRO A 29 117.992 7.653 4.751 1.00 1.00 N ATOM 429 CA PRO A 29 118.380 9.083 4.721 1.00 1.00 C ATOM 430 C PRO A 29 117.379 9.905 3.918 1.00 1.00 C ATOM 431 O PRO A 29 117.179 11.092 4.178 1.00 1.00 O ATOM 432 CB PRO A 29 119.778 9.090 4.082 1.00 1.00 C ATOM 433 CG PRO A 29 120.269 7.694 4.243 1.00 1.00 C ATOM 434 CD PRO A 29 119.035 6.822 4.127 1.00 1.00 C ATOM 0 HA PRO A 29 118.390 9.536 5.713 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.733 9.376 3.031 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.437 9.802 4.578 1.00 1.00 H new ATOM 0 HG2 PRO A 29 121.002 7.443 3.476 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.758 7.558 5.207 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.800 6.589 3.088 1.00 1.00 H new ATOM 0 HD3 PRO A 29 119.160 5.872 4.646 1.00 1.00 H new ATOM 442 N SER A 30 116.757 9.257 2.935 1.00 1.00 N ATOM 443 CA SER A 30 115.781 9.923 2.092 1.00 1.00 C ATOM 444 C SER A 30 114.536 10.262 2.895 1.00 1.00 C ATOM 445 O SER A 30 113.722 11.088 2.487 1.00 1.00 O ATOM 446 CB SER A 30 115.410 9.013 0.918 1.00 1.00 C ATOM 447 OG SER A 30 116.582 8.356 0.456 1.00 1.00 O ATOM 0 H SER A 30 116.914 8.275 2.707 1.00 1.00 H new ATOM 0 HA SER A 30 116.214 10.848 1.711 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.665 8.280 1.230 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.964 9.598 0.114 1.00 1.00 H new ATOM 0 HG SER A 30 116.354 7.769 -0.295 1.00 1.00 H new ATOM 453 N GLY A 31 114.400 9.618 4.047 1.00 1.00 N ATOM 454 CA GLY A 31 113.252 9.842 4.917 1.00 1.00 C ATOM 455 C GLY A 31 112.220 8.749 4.712 1.00 1.00 C ATOM 456 O GLY A 31 111.234 8.669 5.445 1.00 1.00 O ATOM 0 H GLY A 31 115.071 8.936 4.401 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.573 9.859 5.958 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.809 10.815 4.704 1.00 1.00 H new ATOM 460 N LEU A 32 112.458 7.900 3.716 1.00 1.00 N ATOM 461 CA LEU A 32 111.542 6.808 3.435 1.00 1.00 C ATOM 462 C LEU A 32 111.767 5.704 4.455 1.00 1.00 C ATOM 463 O LEU A 32 112.906 5.329 4.732 1.00 1.00 O ATOM 464 CB LEU A 32 111.782 6.267 2.002 1.00 1.00 C ATOM 465 CG LEU A 32 110.805 5.128 1.587 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.250 3.775 2.121 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.380 5.431 2.043 1.00 1.00 C ATOM 0 H LEU A 32 113.269 7.949 3.099 1.00 1.00 H new ATOM 0 HA LEU A 32 110.514 7.164 3.501 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.688 7.090 1.293 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.805 5.899 1.930 1.00 1.00 H new ATOM 0 HG LEU A 32 110.821 5.080 0.498 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.540 3.009 1.808 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.238 3.536 1.728 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.291 3.809 3.210 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.720 4.618 1.739 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.358 5.529 3.128 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.042 6.362 1.587 1.00 1.00 H new ATOM 479 N GLN A 33 110.679 5.172 5.001 1.00 1.00 N ATOM 480 CA GLN A 33 110.756 4.095 5.979 1.00 1.00 C ATOM 481 C GLN A 33 109.997 2.870 5.489 1.00 1.00 C ATOM 482 O GLN A 33 108.937 2.997 4.880 1.00 1.00 O ATOM 483 CB GLN A 33 110.140 4.568 7.294 1.00 1.00 C ATOM 484 CG GLN A 33 110.942 5.740 7.867 1.00 1.00 C ATOM 485 CD GLN A 33 110.335 7.075 7.485 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.460 7.145 6.622 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.755 8.144 8.088 1.00 1.00 N ATOM 0 H GLN A 33 109.729 5.472 4.781 1.00 1.00 H new ATOM 0 HA GLN A 33 111.803 3.827 6.124 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.106 4.872 7.130 1.00 1.00 H new ATOM 0 HB3 GLN A 33 110.121 3.747 8.011 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.983 5.656 8.953 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.969 5.690 7.504 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.480 8.075 8.802 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.360 9.053 7.848 1.00 1.00 H new ATOM 496 N TYR A 34 110.529 1.678 5.778 1.00 1.00 N ATOM 497 CA TYR A 34 109.861 0.438 5.382 1.00 1.00 C ATOM 498 C TYR A 34 109.902 -0.570 6.499 1.00 1.00 C ATOM 499 O TYR A 34 110.837 -0.607 7.300 1.00 1.00 O ATOM 500 CB TYR A 34 110.468 -0.165 4.118 1.00 1.00 C ATOM 501 CG TYR A 34 111.909 -0.518 4.360 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.223 -1.699 5.029 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.925 0.327 3.910 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.563 -2.043 5.255 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.263 -0.013 4.135 1.00 1.00 C ATOM 506 CZ TYR A 34 114.583 -1.197 4.807 1.00 1.00 C ATOM 507 OH TYR A 34 115.904 -1.531 5.027 1.00 1.00 O ATOM 0 H TYR A 34 111.408 1.548 6.278 1.00 1.00 H new ATOM 0 HA TYR A 34 108.824 0.694 5.165 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.911 -1.055 3.826 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.392 0.544 3.294 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.433 -2.350 5.374 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.679 1.241 3.390 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.807 -2.958 5.773 1.00 1.00 H new ATOM 0 HE2 TYR A 34 115.051 0.640 3.789 1.00 1.00 H new ATOM 0 HH TYR A 34 116.484 -0.836 4.651 1.00 1.00 H new ATOM 517 N LYS A 35 108.854 -1.381 6.546 1.00 1.00 N ATOM 518 CA LYS A 35 108.715 -2.396 7.558 1.00 1.00 C ATOM 519 C LYS A 35 108.264 -3.688 6.929 1.00 1.00 C ATOM 520 O LYS A 35 107.373 -3.707 6.082 1.00 1.00 O ATOM 521 CB LYS A 35 107.699 -1.930 8.596 1.00 1.00 C ATOM 522 CG LYS A 35 107.604 -2.918 9.759 1.00 1.00 C ATOM 523 CD LYS A 35 106.355 -3.783 9.619 1.00 1.00 C ATOM 524 CE LYS A 35 106.276 -4.768 10.781 1.00 1.00 C ATOM 525 NZ LYS A 35 106.721 -4.119 12.043 1.00 1.00 N ATOM 0 H LYS A 35 108.082 -1.347 5.880 1.00 1.00 H new ATOM 0 HA LYS A 35 109.676 -2.565 8.044 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.984 -0.948 8.972 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.721 -1.820 8.128 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.492 -3.550 9.781 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.575 -2.376 10.704 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.465 -3.153 9.603 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.380 -4.324 8.673 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.253 -5.129 10.891 1.00 1.00 H new ATOM 0 HE3 LYS A 35 106.900 -5.637 10.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 106.414 -4.692 12.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 107.758 -4.041 12.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 106.303 -3.169 12.111 1.00 1.00 H new ATOM 539 N VAL A 36 108.908 -4.766 7.332 1.00 1.00 N ATOM 540 CA VAL A 36 108.593 -6.081 6.781 1.00 1.00 C ATOM 541 C VAL A 36 107.562 -6.815 7.639 1.00 1.00 C ATOM 542 O VAL A 36 107.853 -7.316 8.722 1.00 1.00 O ATOM 543 CB VAL A 36 109.883 -6.891 6.627 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.667 -6.901 7.934 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.548 -8.327 6.201 1.00 1.00 C ATOM 0 H VAL A 36 109.648 -4.764 8.034 1.00 1.00 H new ATOM 0 HA VAL A 36 108.142 -5.954 5.797 1.00 1.00 H new ATOM 0 HB VAL A 36 110.500 -6.425 5.859 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.581 -7.481 7.806 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.923 -5.879 8.213 1.00 1.00 H new ATOM 0 HG13 VAL A 36 110.059 -7.350 8.719 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.470 -8.899 6.093 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.918 -8.794 6.958 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.018 -8.310 5.249 1.00 1.00 H new ATOM 549 N ILE A 37 106.340 -6.866 7.131 1.00 1.00 N ATOM 550 CA ILE A 37 105.261 -7.539 7.830 1.00 1.00 C ATOM 551 C ILE A 37 105.500 -9.033 7.799 1.00 1.00 C ATOM 552 O ILE A 37 105.265 -9.744 8.778 1.00 1.00 O ATOM 553 CB ILE A 37 103.919 -7.246 7.150 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.794 -5.751 6.795 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.793 -7.644 8.094 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.796 -4.838 8.018 1.00 1.00 C ATOM 0 H ILE A 37 106.073 -6.450 6.239 1.00 1.00 H new ATOM 0 HA ILE A 37 105.233 -7.178 8.858 1.00 1.00 H new ATOM 0 HB ILE A 37 103.858 -7.820 6.225 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.618 -5.470 6.139 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.873 -5.594 6.234 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.832 -7.440 7.621 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.867 -8.708 8.321 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.872 -7.070 9.017 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.705 -3.800 7.697 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.956 -5.093 8.664 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.728 -4.968 8.567 1.00 1.00 H new ATOM 563 N ASN A 38 105.933 -9.503 6.637 1.00 1.00 N ATOM 564 CA ASN A 38 106.169 -10.919 6.422 1.00 1.00 C ATOM 565 C ASN A 38 107.348 -11.125 5.491 1.00 1.00 C ATOM 566 O ASN A 38 107.318 -10.686 4.346 1.00 1.00 O ATOM 567 CB ASN A 38 104.918 -11.522 5.796 1.00 1.00 C ATOM 568 CG ASN A 38 103.800 -11.576 6.831 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.023 -10.540 6.995 1.00 1.00 O flip ATOM 570 ND2 ASN A 38 103.638 -12.586 7.516 1.00 1.00 N flip ATOM 0 H ASN A 38 106.128 -8.917 5.825 1.00 1.00 H new ATOM 0 HA ASN A 38 106.393 -11.401 7.374 1.00 1.00 H new ATOM 0 HB2 ASN A 38 104.605 -10.925 4.939 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.132 -12.524 5.425 1.00 1.00 H new ATOM 0 HD21 ASN A 38 104.247 -13.394 7.385 1.00 1.00 H new ATOM 0 HD22 ASN A 38 102.895 -12.615 8.214 1.00 1.00 H new ATOM 577 N SER A 39 108.378 -11.804 5.973 1.00 1.00 N ATOM 578 CA SER A 39 109.545 -12.066 5.144 1.00 1.00 C ATOM 579 C SER A 39 109.283 -13.241 4.220 1.00 1.00 C ATOM 580 O SER A 39 108.956 -14.341 4.663 1.00 1.00 O ATOM 581 CB SER A 39 110.762 -12.361 6.008 1.00 1.00 C ATOM 582 OG SER A 39 110.724 -13.715 6.436 1.00 1.00 O ATOM 0 H SER A 39 108.431 -12.179 6.920 1.00 1.00 H new ATOM 0 HA SER A 39 109.742 -11.176 4.547 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.676 -12.173 5.444 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.778 -11.696 6.872 1.00 1.00 H new ATOM 0 HG SER A 39 109.863 -14.112 6.188 1.00 1.00 H new ATOM 588 N GLY A 40 109.447 -12.994 2.927 1.00 1.00 N ATOM 589 CA GLY A 40 109.250 -14.014 1.907 1.00 1.00 C ATOM 590 C GLY A 40 110.596 -14.401 1.320 1.00 1.00 C ATOM 591 O GLY A 40 110.810 -15.534 0.887 1.00 1.00 O ATOM 0 H GLY A 40 109.720 -12.083 2.557 1.00 1.00 H new ATOM 0 HA2 GLY A 40 108.764 -14.888 2.339 1.00 1.00 H new ATOM 0 HA3 GLY A 40 108.592 -13.639 1.123 1.00 1.00 H new ATOM 595 N ASN A 41 111.507 -13.436 1.335 1.00 1.00 N ATOM 596 CA ASN A 41 112.856 -13.642 0.836 1.00 1.00 C ATOM 597 C ASN A 41 112.846 -14.160 -0.598 1.00 1.00 C ATOM 598 O ASN A 41 113.731 -14.915 -1.002 1.00 1.00 O ATOM 599 CB ASN A 41 113.572 -14.630 1.746 1.00 1.00 C ATOM 600 CG ASN A 41 113.685 -14.030 3.143 1.00 1.00 C ATOM 601 OD1 ASN A 41 113.012 -12.943 3.433 1.00 1.00 O flip ATOM 602 ND2 ASN A 41 114.388 -14.569 3.996 1.00 1.00 N flip ATOM 0 H ASN A 41 111.331 -12.496 1.691 1.00 1.00 H new ATOM 0 HA ASN A 41 113.380 -12.686 0.835 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.024 -15.571 1.784 1.00 1.00 H new ATOM 0 HB3 ASN A 41 114.563 -14.854 1.352 1.00 1.00 H new ATOM 0 HD21 ASN A 41 114.910 -15.415 3.767 1.00 1.00 H new ATOM 0 HD22 ASN A 41 114.449 -14.170 4.933 1.00 1.00 H new ATOM 609 N GLY A 42 111.845 -13.747 -1.371 1.00 1.00 N ATOM 610 CA GLY A 42 111.740 -14.167 -2.761 1.00 1.00 C ATOM 611 C GLY A 42 112.445 -13.200 -3.689 1.00 1.00 C ATOM 612 O GLY A 42 113.237 -12.356 -3.270 1.00 1.00 O ATOM 0 H GLY A 42 111.100 -13.125 -1.058 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.171 -15.162 -2.875 1.00 1.00 H new ATOM 0 HA3 GLY A 42 110.689 -14.241 -3.041 1.00 1.00 H new ATOM 616 N VAL A 43 112.103 -13.321 -4.953 1.00 1.00 N ATOM 617 CA VAL A 43 112.638 -12.460 -5.983 1.00 1.00 C ATOM 618 C VAL A 43 112.095 -11.053 -5.771 1.00 1.00 C ATOM 619 O VAL A 43 111.355 -10.816 -4.827 1.00 1.00 O ATOM 620 CB VAL A 43 112.280 -12.995 -7.378 1.00 1.00 C ATOM 621 CG1 VAL A 43 112.781 -14.426 -7.508 1.00 1.00 C ATOM 622 CG2 VAL A 43 110.770 -12.972 -7.610 1.00 1.00 C ATOM 0 H VAL A 43 111.445 -14.021 -5.295 1.00 1.00 H new ATOM 0 HA VAL A 43 113.726 -12.437 -5.919 1.00 1.00 H new ATOM 0 HB VAL A 43 112.753 -12.354 -8.122 1.00 1.00 H new ATOM 0 HG11 VAL A 43 112.530 -14.811 -8.496 1.00 1.00 H new ATOM 0 HG12 VAL A 43 113.863 -14.446 -7.375 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.310 -15.047 -6.746 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.549 -13.356 -8.606 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.278 -13.595 -6.863 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.405 -11.948 -7.527 1.00 1.00 H new ATOM 626 N LYS A 44 112.453 -10.148 -6.659 1.00 1.00 N ATOM 627 CA LYS A 44 112.002 -8.750 -6.591 1.00 1.00 C ATOM 628 C LYS A 44 112.665 -7.946 -7.710 1.00 1.00 C ATOM 629 O LYS A 44 113.687 -8.362 -8.258 1.00 1.00 O ATOM 630 CB LYS A 44 112.270 -8.097 -5.198 1.00 1.00 C ATOM 631 CG LYS A 44 113.764 -7.762 -4.941 1.00 1.00 C ATOM 632 CD LYS A 44 114.485 -8.951 -4.255 1.00 1.00 C ATOM 633 CE LYS A 44 114.442 -8.809 -2.722 1.00 1.00 C ATOM 634 NZ LYS A 44 114.690 -10.144 -2.111 1.00 1.00 N ATOM 0 H LYS A 44 113.063 -10.348 -7.451 1.00 1.00 H new ATOM 0 HA LYS A 44 110.920 -8.742 -6.726 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.683 -7.182 -5.117 1.00 1.00 H new ATOM 0 HB3 LYS A 44 111.919 -8.772 -4.417 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.256 -7.528 -5.885 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.839 -6.874 -4.313 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.013 -9.888 -4.551 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.521 -8.996 -4.591 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.195 -8.095 -2.388 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.473 -8.423 -2.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 114.815 -10.038 -1.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 113.879 -10.768 -2.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 115.549 -10.560 -2.523 1.00 1.00 H new ATOM 648 N PRO A 45 112.030 -6.866 -8.132 1.00 1.00 N ATOM 649 CA PRO A 45 112.489 -6.052 -9.297 1.00 1.00 C ATOM 650 C PRO A 45 113.485 -4.946 -8.996 1.00 1.00 C ATOM 651 O PRO A 45 113.572 -4.441 -7.890 1.00 1.00 O ATOM 652 CB PRO A 45 111.181 -5.448 -9.820 1.00 1.00 C ATOM 653 CG PRO A 45 110.274 -5.343 -8.632 1.00 1.00 C ATOM 654 CD PRO A 45 110.816 -6.274 -7.541 1.00 1.00 C ATOM 0 HA PRO A 45 113.041 -6.683 -9.993 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.354 -4.469 -10.267 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.741 -6.078 -10.593 1.00 1.00 H new ATOM 0 HG2 PRO A 45 110.235 -4.315 -8.272 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.256 -5.625 -8.903 1.00 1.00 H new ATOM 0 HD2 PRO A 45 111.046 -5.724 -6.628 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.088 -7.041 -7.276 1.00 1.00 H new ATOM 662 N GLY A 46 114.183 -4.534 -10.046 1.00 1.00 N ATOM 663 CA GLY A 46 115.120 -3.435 -9.954 1.00 1.00 C ATOM 664 C GLY A 46 114.405 -2.147 -10.293 1.00 1.00 C ATOM 665 O GLY A 46 113.235 -2.141 -10.671 1.00 1.00 O ATOM 0 H GLY A 46 114.113 -4.951 -10.974 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.538 -3.380 -8.949 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.954 -3.593 -10.638 1.00 1.00 H new ATOM 669 N LYS A 47 115.117 -1.064 -10.148 1.00 1.00 N ATOM 670 CA LYS A 47 114.559 0.242 -10.430 1.00 1.00 C ATOM 671 C LYS A 47 113.924 0.267 -11.804 1.00 1.00 C ATOM 672 O LYS A 47 113.071 1.102 -12.087 1.00 1.00 O ATOM 673 CB LYS A 47 115.652 1.325 -10.335 1.00 1.00 C ATOM 674 CG LYS A 47 116.695 1.184 -11.473 1.00 1.00 C ATOM 675 CD LYS A 47 117.718 0.051 -11.161 1.00 1.00 C ATOM 676 CE LYS A 47 117.781 -0.964 -12.300 1.00 1.00 C ATOM 677 NZ LYS A 47 118.328 -0.319 -13.526 1.00 1.00 N ATOM 0 H LYS A 47 116.088 -1.053 -9.836 1.00 1.00 H new ATOM 0 HA LYS A 47 113.789 0.451 -9.687 1.00 1.00 H new ATOM 0 HB2 LYS A 47 115.192 2.312 -10.382 1.00 1.00 H new ATOM 0 HB3 LYS A 47 116.154 1.253 -9.370 1.00 1.00 H new ATOM 0 HG2 LYS A 47 116.186 0.969 -12.412 1.00 1.00 H new ATOM 0 HG3 LYS A 47 117.223 2.128 -11.605 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.706 0.483 -11.000 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.436 -0.453 -10.236 1.00 1.00 H new ATOM 0 HE2 LYS A 47 118.408 -1.808 -12.012 1.00 1.00 H new ATOM 0 HE3 LYS A 47 116.786 -1.360 -12.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 118.819 -1.031 -14.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 117.550 0.096 -14.076 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 118.998 0.429 -13.255 1.00 1.00 H new ATOM 691 N SER A 48 114.382 -0.633 -12.669 1.00 1.00 N ATOM 692 CA SER A 48 113.893 -0.676 -14.049 1.00 1.00 C ATOM 693 C SER A 48 112.978 -1.869 -14.349 1.00 1.00 C ATOM 694 O SER A 48 112.351 -1.905 -15.409 1.00 1.00 O ATOM 695 CB SER A 48 115.097 -0.719 -14.988 1.00 1.00 C ATOM 696 OG SER A 48 115.744 0.546 -14.986 1.00 1.00 O ATOM 0 H SER A 48 115.085 -1.338 -12.445 1.00 1.00 H new ATOM 0 HA SER A 48 113.288 0.218 -14.201 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.792 -1.496 -14.670 1.00 1.00 H new ATOM 0 HB3 SER A 48 114.775 -0.973 -15.998 1.00 1.00 H new ATOM 0 HG SER A 48 116.448 0.555 -15.668 1.00 1.00 H new ATOM 702 N ASP A 49 112.880 -2.834 -13.438 1.00 1.00 N ATOM 703 CA ASP A 49 112.004 -3.991 -13.694 1.00 1.00 C ATOM 704 C ASP A 49 110.589 -3.634 -13.283 1.00 1.00 C ATOM 705 O ASP A 49 110.382 -2.641 -12.583 1.00 1.00 O ATOM 706 CB ASP A 49 112.479 -5.220 -12.927 1.00 1.00 C ATOM 707 CG ASP A 49 113.781 -5.749 -13.518 1.00 1.00 C ATOM 708 OD1 ASP A 49 114.453 -6.507 -12.838 1.00 1.00 O ATOM 709 OD2 ASP A 49 114.087 -5.390 -14.646 1.00 1.00 O ATOM 0 H ASP A 49 113.373 -2.848 -12.545 1.00 1.00 H new ATOM 0 HA ASP A 49 112.035 -4.231 -14.757 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.626 -4.966 -11.877 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.715 -5.996 -12.963 1.00 1.00 H new ATOM 714 N THR A 50 109.608 -4.434 -13.708 1.00 1.00 N ATOM 715 CA THR A 50 108.210 -4.160 -13.358 1.00 1.00 C ATOM 716 C THR A 50 107.767 -5.109 -12.258 1.00 1.00 C ATOM 717 O THR A 50 108.283 -6.220 -12.133 1.00 1.00 O ATOM 718 CB THR A 50 107.306 -4.243 -14.598 1.00 1.00 C ATOM 719 OG1 THR A 50 107.906 -3.532 -15.670 1.00 1.00 O ATOM 720 CG2 THR A 50 105.944 -3.640 -14.291 1.00 1.00 C ATOM 0 H THR A 50 109.750 -5.263 -14.285 1.00 1.00 H new ATOM 0 HA THR A 50 108.124 -3.141 -12.980 1.00 1.00 H new ATOM 0 HB THR A 50 107.179 -5.289 -14.877 1.00 1.00 H new ATOM 0 HG1 THR A 50 107.330 -3.586 -16.461 1.00 1.00 H new ATOM 0 HG21 THR A 50 105.310 -3.703 -15.176 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.479 -4.189 -13.472 1.00 1.00 H new ATOM 0 HG23 THR A 50 106.065 -2.595 -14.005 1.00 1.00 H new ATOM 728 N VAL A 51 106.852 -4.634 -11.414 1.00 1.00 N ATOM 729 CA VAL A 51 106.396 -5.413 -10.261 1.00 1.00 C ATOM 730 C VAL A 51 104.886 -5.569 -10.235 1.00 1.00 C ATOM 731 O VAL A 51 104.179 -4.801 -10.868 1.00 1.00 O ATOM 732 CB VAL A 51 106.860 -4.693 -8.984 1.00 1.00 C ATOM 733 CG1 VAL A 51 106.014 -3.453 -8.690 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.811 -5.670 -7.808 1.00 1.00 C ATOM 0 H VAL A 51 106.413 -3.718 -11.505 1.00 1.00 H new ATOM 0 HA VAL A 51 106.821 -6.414 -10.328 1.00 1.00 H new ATOM 0 HB VAL A 51 107.884 -4.351 -9.135 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.375 -2.974 -7.780 1.00 1.00 H new ATOM 0 HG12 VAL A 51 106.091 -2.754 -9.523 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.973 -3.746 -8.557 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.139 -5.164 -6.900 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.790 -6.028 -7.675 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.469 -6.516 -8.010 1.00 1.00 H new ATOM 738 N THR A 52 104.401 -6.544 -9.454 1.00 1.00 N ATOM 739 CA THR A 52 102.958 -6.765 -9.297 1.00 1.00 C ATOM 740 C THR A 52 102.654 -6.863 -7.802 1.00 1.00 C ATOM 741 O THR A 52 103.235 -7.702 -7.115 1.00 1.00 O ATOM 742 CB THR A 52 102.581 -8.060 -10.005 1.00 1.00 C ATOM 743 OG1 THR A 52 102.948 -7.970 -11.375 1.00 1.00 O ATOM 744 CG2 THR A 52 101.087 -8.310 -9.895 1.00 1.00 C ATOM 0 H THR A 52 104.985 -7.190 -8.923 1.00 1.00 H new ATOM 0 HA THR A 52 102.384 -5.947 -9.732 1.00 1.00 H new ATOM 0 HB THR A 52 103.110 -8.888 -9.533 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.246 -8.848 -11.692 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.835 -9.239 -10.406 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.807 -8.387 -8.844 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.545 -7.484 -10.355 1.00 1.00 H new ATOM 752 N VAL A 53 101.797 -5.972 -7.282 1.00 1.00 N ATOM 753 CA VAL A 53 101.519 -5.955 -5.834 1.00 1.00 C ATOM 754 C VAL A 53 100.093 -5.504 -5.476 1.00 1.00 C ATOM 755 O VAL A 53 99.432 -4.837 -6.271 1.00 1.00 O ATOM 756 CB VAL A 53 102.486 -4.938 -5.211 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.912 -5.247 -5.657 1.00 1.00 C ATOM 758 CG2 VAL A 53 102.126 -3.499 -5.680 1.00 1.00 C ATOM 0 H VAL A 53 101.294 -5.269 -7.824 1.00 1.00 H new ATOM 0 HA VAL A 53 101.636 -6.973 -5.464 1.00 1.00 H new ATOM 0 HB VAL A 53 102.406 -5.003 -4.126 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.597 -4.524 -5.214 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.185 -6.251 -5.333 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.974 -5.187 -6.744 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.818 -2.786 -5.232 1.00 1.00 H new ATOM 0 HG22 VAL A 53 102.198 -3.441 -6.766 1.00 1.00 H new ATOM 0 HG23 VAL A 53 101.108 -3.260 -5.371 1.00 1.00 H new ATOM 762 N GLU A 54 99.680 -5.762 -4.220 1.00 1.00 N ATOM 763 CA GLU A 54 98.384 -5.274 -3.711 1.00 1.00 C ATOM 764 C GLU A 54 98.702 -4.351 -2.531 1.00 1.00 C ATOM 765 O GLU A 54 99.750 -4.510 -1.907 1.00 1.00 O ATOM 766 CB GLU A 54 97.455 -6.398 -3.208 1.00 1.00 C ATOM 767 CG GLU A 54 97.378 -7.586 -4.186 1.00 1.00 C ATOM 768 CD GLU A 54 97.110 -8.905 -3.455 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.136 -9.928 -4.118 1.00 1.00 O ATOM 770 OE2 GLU A 54 96.879 -8.876 -2.258 1.00 1.00 O ATOM 0 H GLU A 54 100.221 -6.301 -3.544 1.00 1.00 H new ATOM 0 HA GLU A 54 97.859 -4.778 -4.527 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.810 -6.752 -2.240 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.454 -5.995 -3.053 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.588 -7.407 -4.915 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.313 -7.661 -4.742 1.00 1.00 H new ATOM 777 N TYR A 55 97.853 -3.359 -2.228 1.00 1.00 N ATOM 778 CA TYR A 55 98.196 -2.455 -1.135 1.00 1.00 C ATOM 779 C TYR A 55 97.022 -1.645 -0.577 1.00 1.00 C ATOM 780 O TYR A 55 96.028 -1.404 -1.256 1.00 1.00 O ATOM 781 CB TYR A 55 99.224 -1.466 -1.678 1.00 1.00 C ATOM 782 CG TYR A 55 98.618 -0.818 -2.906 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.724 0.249 -2.765 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.912 -1.310 -4.184 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.123 0.821 -3.895 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.317 -0.732 -5.311 1.00 1.00 C ATOM 787 CZ TYR A 55 97.421 0.331 -5.166 1.00 1.00 C ATOM 788 OH TYR A 55 96.824 0.889 -6.277 1.00 1.00 O ATOM 0 H TYR A 55 96.969 -3.171 -2.700 1.00 1.00 H new ATOM 0 HA TYR A 55 98.560 -3.073 -0.314 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.468 -0.714 -0.927 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.153 -1.977 -1.931 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.496 0.633 -1.782 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.598 -2.136 -4.300 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.429 1.641 -3.781 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.551 -1.108 -6.296 1.00 1.00 H new ATOM 0 HH TYR A 55 97.142 0.432 -7.083 1.00 1.00 H new ATOM 798 N THR A 56 97.205 -1.151 0.664 1.00 1.00 N ATOM 799 CA THR A 56 96.214 -0.281 1.312 1.00 1.00 C ATOM 800 C THR A 56 96.872 1.046 1.659 1.00 1.00 C ATOM 801 O THR A 56 97.940 1.084 2.243 1.00 1.00 O ATOM 802 CB THR A 56 95.553 -0.940 2.547 1.00 1.00 C ATOM 803 OG1 THR A 56 94.502 -1.785 2.109 1.00 1.00 O ATOM 804 CG2 THR A 56 94.953 0.119 3.487 1.00 1.00 C ATOM 0 H THR A 56 98.030 -1.342 1.233 1.00 1.00 H new ATOM 0 HA THR A 56 95.398 -0.106 0.610 1.00 1.00 H new ATOM 0 HB THR A 56 96.317 -1.502 3.084 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.450 -2.571 2.692 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.496 -0.373 4.345 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.741 0.789 3.830 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.196 0.693 2.952 1.00 1.00 H new ATOM 812 N GLY A 57 96.227 2.140 1.270 1.00 1.00 N ATOM 813 CA GLY A 57 96.777 3.479 1.526 1.00 1.00 C ATOM 814 C GLY A 57 95.941 4.229 2.542 1.00 1.00 C ATOM 815 O GLY A 57 94.714 4.248 2.447 1.00 1.00 O ATOM 0 H GLY A 57 95.332 2.134 0.781 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.801 3.391 1.888 1.00 1.00 H new ATOM 0 HA3 GLY A 57 96.815 4.044 0.594 1.00 1.00 H new ATOM 819 N ARG A 58 96.606 4.857 3.521 1.00 1.00 N ATOM 820 CA ARG A 58 95.893 5.605 4.541 1.00 1.00 C ATOM 821 C ARG A 58 96.668 6.837 4.996 1.00 1.00 C ATOM 822 O ARG A 58 97.863 6.981 4.738 1.00 1.00 O ATOM 823 CB ARG A 58 95.572 4.697 5.748 1.00 1.00 C ATOM 824 CG ARG A 58 96.784 4.576 6.702 1.00 1.00 C ATOM 825 CD ARG A 58 96.364 3.920 8.014 1.00 1.00 C ATOM 826 NE ARG A 58 96.217 2.478 7.851 1.00 1.00 N ATOM 827 CZ ARG A 58 95.846 1.710 8.869 1.00 1.00 C ATOM 828 NH1 ARG A 58 95.602 2.242 10.035 1.00 1.00 N ATOM 829 NH2 ARG A 58 95.723 0.421 8.705 1.00 1.00 N ATOM 0 H ARG A 58 97.621 4.857 3.620 1.00 1.00 H new ATOM 0 HA ARG A 58 94.961 5.953 4.096 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.718 5.101 6.292 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.285 3.707 5.394 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.570 3.987 6.229 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.200 5.564 6.899 1.00 1.00 H new ATOM 0 HD2 ARG A 58 97.107 4.129 8.784 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.422 4.349 8.355 1.00 1.00 H new ATOM 0 HE ARG A 58 96.402 2.053 6.942 1.00 1.00 H new ATOM 0 HH11 ARG A 58 95.696 3.249 10.166 1.00 1.00 H new ATOM 0 HH12 ARG A 58 95.317 1.651 10.816 1.00 1.00 H new ATOM 0 HH21 ARG A 58 95.912 0.002 7.794 1.00 1.00 H new ATOM 0 HH22 ARG A 58 95.438 -0.168 9.488 1.00 1.00 H new ATOM 843 N LEU A 59 95.960 7.702 5.705 1.00 1.00 N ATOM 844 CA LEU A 59 96.543 8.925 6.252 1.00 1.00 C ATOM 845 C LEU A 59 97.163 8.677 7.627 1.00 1.00 C ATOM 846 O LEU A 59 96.816 7.729 8.332 1.00 1.00 O ATOM 847 CB LEU A 59 95.439 9.989 6.394 1.00 1.00 C ATOM 848 CG LEU A 59 95.434 10.962 5.201 1.00 1.00 C ATOM 849 CD1 LEU A 59 94.769 10.311 4.003 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.677 12.242 5.558 1.00 1.00 C ATOM 0 H LEU A 59 94.970 7.581 5.919 1.00 1.00 H new ATOM 0 HA LEU A 59 97.325 9.264 5.573 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.468 9.499 6.469 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.587 10.547 7.319 1.00 1.00 H new ATOM 0 HG LEU A 59 96.467 11.211 4.958 1.00 1.00 H new ATOM 0 HD11 LEU A 59 94.770 11.007 3.164 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.317 9.410 3.728 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.742 10.048 4.255 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.683 12.919 4.704 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.648 11.995 5.818 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.160 12.725 6.407 1.00 1.00 H new ATOM 862 N ILE A 60 98.049 9.585 8.000 1.00 1.00 N ATOM 863 CA ILE A 60 98.709 9.538 9.301 1.00 1.00 C ATOM 864 C ILE A 60 97.681 9.492 10.416 1.00 1.00 C ATOM 865 O ILE A 60 97.946 9.020 11.520 1.00 1.00 O ATOM 866 CB ILE A 60 99.592 10.788 9.506 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.773 12.094 9.713 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.516 10.967 8.312 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.016 12.505 8.461 1.00 1.00 C ATOM 0 H ILE A 60 98.332 10.372 7.416 1.00 1.00 H new ATOM 0 HA ILE A 60 99.326 8.640 9.327 1.00 1.00 H new ATOM 0 HB ILE A 60 100.162 10.616 10.419 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.067 11.952 10.531 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.446 12.899 10.009 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.137 11.850 8.462 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.153 10.089 8.210 1.00 1.00 H new ATOM 0 HG23 ILE A 60 99.921 11.091 7.407 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.460 13.422 8.657 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.722 12.675 7.648 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.322 11.713 8.179 1.00 1.00 H new ATOM 876 N ASP A 61 96.518 10.025 10.108 1.00 1.00 N ATOM 877 CA ASP A 61 95.415 10.108 11.064 1.00 1.00 C ATOM 878 C ASP A 61 94.453 8.944 10.891 1.00 1.00 C ATOM 879 O ASP A 61 93.421 8.871 11.557 1.00 1.00 O ATOM 880 CB ASP A 61 94.691 11.440 10.865 1.00 1.00 C ATOM 881 CG ASP A 61 93.864 11.796 12.099 1.00 1.00 C ATOM 882 OD1 ASP A 61 94.237 11.382 13.184 1.00 1.00 O ATOM 883 OD2 ASP A 61 92.871 12.485 11.938 1.00 1.00 O ATOM 0 H ASP A 61 96.302 10.415 9.191 1.00 1.00 H new ATOM 0 HA ASP A 61 95.812 10.053 12.078 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.418 12.228 10.668 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.042 11.380 9.991 1.00 1.00 H new ATOM 888 N GLY A 62 94.817 8.012 10.017 1.00 1.00 N ATOM 889 CA GLY A 62 94.000 6.826 9.791 1.00 1.00 C ATOM 890 C GLY A 62 92.970 6.995 8.675 1.00 1.00 C ATOM 891 O GLY A 62 92.339 6.017 8.275 1.00 1.00 O ATOM 0 H GLY A 62 95.668 8.054 9.456 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.652 5.987 9.548 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.483 6.570 10.716 1.00 1.00 H new ATOM 895 N THR A 63 92.781 8.211 8.169 1.00 1.00 N ATOM 896 CA THR A 63 91.796 8.401 7.108 1.00 1.00 C ATOM 897 C THR A 63 92.165 7.580 5.880 1.00 1.00 C ATOM 898 O THR A 63 92.961 8.022 5.051 1.00 1.00 O ATOM 899 CB THR A 63 91.687 9.877 6.701 1.00 1.00 C ATOM 900 OG1 THR A 63 91.623 10.697 7.859 1.00 1.00 O ATOM 901 CG2 THR A 63 90.427 10.071 5.863 1.00 1.00 C ATOM 0 H THR A 63 93.277 9.052 8.463 1.00 1.00 H new ATOM 0 HA THR A 63 90.835 8.069 7.500 1.00 1.00 H new ATOM 0 HB THR A 63 92.564 10.159 6.119 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.555 11.637 7.591 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.342 11.117 5.570 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.484 9.448 4.971 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.553 9.787 6.449 1.00 1.00 H new ATOM 909 N VAL A 64 91.568 6.396 5.742 1.00 1.00 N ATOM 910 CA VAL A 64 91.858 5.576 4.577 1.00 1.00 C ATOM 911 C VAL A 64 91.285 6.240 3.363 1.00 1.00 C ATOM 912 O VAL A 64 90.101 6.580 3.322 1.00 1.00 O ATOM 913 CB VAL A 64 91.304 4.160 4.729 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.551 3.348 3.454 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.995 3.490 5.902 1.00 1.00 C ATOM 0 H VAL A 64 90.901 5.997 6.403 1.00 1.00 H new ATOM 0 HA VAL A 64 92.939 5.484 4.474 1.00 1.00 H new ATOM 0 HB VAL A 64 90.229 4.209 4.903 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.150 2.342 3.580 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.057 3.833 2.612 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.622 3.290 3.261 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.609 2.478 6.022 1.00 1.00 H new ATOM 0 HG22 VAL A 64 93.068 3.449 5.717 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.805 4.061 6.811 1.00 1.00 H new ATOM 919 N PHE A 65 92.145 6.449 2.376 1.00 1.00 N ATOM 920 CA PHE A 65 91.731 7.113 1.148 1.00 1.00 C ATOM 921 C PHE A 65 91.871 6.205 -0.053 1.00 1.00 C ATOM 922 O PHE A 65 91.280 6.456 -1.103 1.00 1.00 O ATOM 923 CB PHE A 65 92.512 8.407 0.985 1.00 1.00 C ATOM 924 CG PHE A 65 93.978 8.191 0.656 1.00 1.00 C ATOM 925 CD1 PHE A 65 94.855 7.760 1.651 1.00 1.00 C ATOM 926 CD2 PHE A 65 94.465 8.503 -0.613 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.227 7.642 1.381 1.00 1.00 C ATOM 928 CE2 PHE A 65 95.833 8.378 -0.890 1.00 1.00 C ATOM 929 CZ PHE A 65 96.719 7.953 0.110 1.00 1.00 C ATOM 0 H PHE A 65 93.126 6.171 2.400 1.00 1.00 H new ATOM 0 HA PHE A 65 90.671 7.357 1.217 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.054 9.002 0.195 1.00 1.00 H new ATOM 0 HB3 PHE A 65 92.436 8.987 1.905 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.477 7.516 2.633 1.00 1.00 H new ATOM 0 HD2 PHE A 65 93.787 8.841 -1.383 1.00 1.00 H new ATOM 0 HE1 PHE A 65 96.903 7.311 2.155 1.00 1.00 H new ATOM 0 HE2 PHE A 65 96.206 8.610 -1.877 1.00 1.00 H new ATOM 0 HZ PHE A 65 97.775 7.866 -0.100 1.00 1.00 H new ATOM 939 N ASP A 66 92.612 5.124 0.110 1.00 1.00 N ATOM 940 CA ASP A 66 92.769 4.170 -0.976 1.00 1.00 C ATOM 941 C ASP A 66 93.091 2.784 -0.462 1.00 1.00 C ATOM 942 O ASP A 66 93.727 2.621 0.578 1.00 1.00 O ATOM 943 CB ASP A 66 93.862 4.617 -1.928 1.00 1.00 C ATOM 944 CG ASP A 66 93.932 3.659 -3.108 1.00 1.00 C ATOM 945 OD1 ASP A 66 94.463 2.578 -2.933 1.00 1.00 O ATOM 946 OD2 ASP A 66 93.446 4.019 -4.170 1.00 1.00 O ATOM 0 H ASP A 66 93.108 4.886 0.969 1.00 1.00 H new ATOM 0 HA ASP A 66 91.817 4.130 -1.505 1.00 1.00 H new ATOM 0 HB2 ASP A 66 93.661 5.629 -2.279 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.821 4.644 -1.410 1.00 1.00 H new ATOM 951 N SER A 67 92.656 1.780 -1.218 1.00 1.00 N ATOM 952 CA SER A 67 92.918 0.403 -0.842 1.00 1.00 C ATOM 953 C SER A 67 92.885 -0.527 -2.046 1.00 1.00 C ATOM 954 O SER A 67 92.197 -0.270 -3.033 1.00 1.00 O ATOM 955 CB SER A 67 91.923 -0.050 0.223 1.00 1.00 C ATOM 956 OG SER A 67 90.627 -0.139 -0.350 1.00 1.00 O ATOM 0 H SER A 67 92.128 1.896 -2.083 1.00 1.00 H new ATOM 0 HA SER A 67 93.925 0.355 -0.427 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.221 -1.017 0.627 1.00 1.00 H new ATOM 0 HB3 SER A 67 91.917 0.655 1.055 1.00 1.00 H new ATOM 0 HG SER A 67 89.987 -0.431 0.332 1.00 1.00 H new ATOM 962 N THR A 68 93.654 -1.611 -1.947 1.00 1.00 N ATOM 963 CA THR A 68 93.742 -2.597 -3.028 1.00 1.00 C ATOM 964 C THR A 68 93.972 -3.981 -2.455 1.00 1.00 C ATOM 965 O THR A 68 93.431 -4.966 -2.950 1.00 1.00 O ATOM 966 CB THR A 68 94.896 -2.246 -3.972 1.00 1.00 C ATOM 967 OG1 THR A 68 94.655 -0.974 -4.554 1.00 1.00 O ATOM 968 CG2 THR A 68 95.027 -3.296 -5.079 1.00 1.00 C ATOM 0 H THR A 68 94.225 -1.830 -1.131 1.00 1.00 H new ATOM 0 HA THR A 68 92.804 -2.584 -3.582 1.00 1.00 H new ATOM 0 HB THR A 68 95.824 -2.225 -3.400 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.499 -0.481 -4.623 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.852 -3.028 -5.739 1.00 1.00 H new ATOM 0 HG22 THR A 68 95.220 -4.272 -4.634 1.00 1.00 H new ATOM 0 HG23 THR A 68 94.102 -3.336 -5.654 1.00 1.00 H new ATOM 976 N GLU A 69 94.772 -4.051 -1.404 1.00 1.00 N ATOM 977 CA GLU A 69 95.046 -5.321 -0.775 1.00 1.00 C ATOM 978 C GLU A 69 93.786 -5.865 -0.133 1.00 1.00 C ATOM 979 O GLU A 69 93.619 -7.077 -0.008 1.00 1.00 O ATOM 980 CB GLU A 69 96.206 -5.211 0.204 1.00 1.00 C ATOM 981 CG GLU A 69 95.933 -4.169 1.278 1.00 1.00 C ATOM 982 CD GLU A 69 95.116 -4.760 2.426 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.978 -4.087 3.434 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.651 -5.877 2.287 1.00 1.00 O ATOM 0 H GLU A 69 95.236 -3.250 -0.976 1.00 1.00 H new ATOM 0 HA GLU A 69 95.359 -6.036 -1.536 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.382 -6.180 0.672 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.116 -4.948 -0.336 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.877 -3.782 1.662 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.396 -3.326 0.843 1.00 1.00 H new ATOM 991 N LYS A 70 92.891 -4.965 0.254 1.00 1.00 N ATOM 992 CA LYS A 70 91.645 -5.384 0.854 1.00 1.00 C ATOM 993 C LYS A 70 90.922 -6.262 -0.148 1.00 1.00 C ATOM 994 O LYS A 70 90.420 -7.337 0.183 1.00 1.00 O ATOM 995 CB LYS A 70 90.804 -4.165 1.217 1.00 1.00 C ATOM 996 CG LYS A 70 91.601 -3.292 2.180 1.00 1.00 C ATOM 997 CD LYS A 70 91.881 -4.026 3.501 1.00 1.00 C ATOM 998 CE LYS A 70 92.373 -3.024 4.540 1.00 1.00 C ATOM 999 NZ LYS A 70 92.914 -3.764 5.716 1.00 1.00 N ATOM 0 H LYS A 70 93.008 -3.956 0.162 1.00 1.00 H new ATOM 0 HA LYS A 70 91.827 -5.943 1.772 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.548 -3.602 0.320 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.866 -4.476 1.677 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.544 -3.003 1.716 1.00 1.00 H new ATOM 0 HG3 LYS A 70 91.050 -2.374 2.382 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.976 -4.520 3.855 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.629 -4.804 3.347 1.00 1.00 H new ATOM 0 HE2 LYS A 70 93.145 -2.386 4.110 1.00 1.00 H new ATOM 0 HE3 LYS A 70 91.556 -2.372 4.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 92.998 -3.116 6.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 92.271 -4.543 5.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 93.851 -4.149 5.482 1.00 1.00 H new ATOM 1013 N THR A 71 90.939 -5.815 -1.395 1.00 1.00 N ATOM 1014 CA THR A 71 90.350 -6.580 -2.479 1.00 1.00 C ATOM 1015 C THR A 71 91.254 -7.772 -2.778 1.00 1.00 C ATOM 1016 O THR A 71 90.788 -8.852 -3.143 1.00 1.00 O ATOM 1017 CB THR A 71 90.190 -5.717 -3.732 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.389 -5.011 -3.996 1.00 1.00 O ATOM 1019 CG2 THR A 71 89.038 -4.730 -3.539 1.00 1.00 C ATOM 0 H THR A 71 91.354 -4.928 -1.679 1.00 1.00 H new ATOM 0 HA THR A 71 89.359 -6.923 -2.182 1.00 1.00 H new ATOM 0 HB THR A 71 89.969 -6.365 -4.580 1.00 1.00 H new ATOM 0 HG1 THR A 71 92.099 -5.340 -3.406 1.00 1.00 H new ATOM 0 HG21 THR A 71 88.929 -4.118 -4.435 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.114 -5.280 -3.360 1.00 1.00 H new ATOM 0 HG23 THR A 71 89.249 -4.087 -2.684 1.00 1.00 H new ATOM 1027 N GLY A 72 92.559 -7.562 -2.594 1.00 1.00 N ATOM 1028 CA GLY A 72 93.544 -8.611 -2.813 1.00 1.00 C ATOM 1029 C GLY A 72 93.935 -8.728 -4.279 1.00 1.00 C ATOM 1030 O GLY A 72 94.485 -9.746 -4.697 1.00 1.00 O ATOM 0 H GLY A 72 92.954 -6.671 -2.293 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.432 -8.405 -2.216 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.142 -9.564 -2.468 1.00 1.00 H new ATOM 1034 N LYS A 73 93.647 -7.692 -5.063 1.00 1.00 N ATOM 1035 CA LYS A 73 93.982 -7.725 -6.495 1.00 1.00 C ATOM 1036 C LYS A 73 95.264 -6.943 -6.780 1.00 1.00 C ATOM 1037 O LYS A 73 95.292 -5.725 -6.604 1.00 1.00 O ATOM 1038 CB LYS A 73 92.825 -7.113 -7.313 1.00 1.00 C ATOM 1039 CG LYS A 73 91.738 -8.162 -7.648 1.00 1.00 C ATOM 1040 CD LYS A 73 90.641 -8.151 -6.577 1.00 1.00 C ATOM 1041 CE LYS A 73 89.752 -9.378 -6.728 1.00 1.00 C ATOM 1042 NZ LYS A 73 90.549 -10.606 -6.454 1.00 1.00 N ATOM 0 H LYS A 73 93.193 -6.835 -4.746 1.00 1.00 H new ATOM 0 HA LYS A 73 94.137 -8.765 -6.782 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.377 -6.293 -6.752 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.218 -6.689 -8.237 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.304 -7.947 -8.625 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.186 -9.154 -7.709 1.00 1.00 H new ATOM 0 HD2 LYS A 73 91.091 -8.138 -5.584 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.042 -7.245 -6.668 1.00 1.00 H new ATOM 0 HE2 LYS A 73 88.910 -9.317 -6.039 1.00 1.00 H new ATOM 0 HE3 LYS A 73 89.337 -9.418 -7.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 89.920 -11.358 -6.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 91.015 -10.920 -7.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 91.269 -10.399 -5.733 1.00 1.00 H new ATOM 1056 N PRO A 74 96.330 -7.603 -7.216 1.00 1.00 N ATOM 1057 CA PRO A 74 97.614 -6.917 -7.513 1.00 1.00 C ATOM 1058 C PRO A 74 97.521 -5.877 -8.618 1.00 1.00 C ATOM 1059 O PRO A 74 96.694 -5.959 -9.525 1.00 1.00 O ATOM 1060 CB PRO A 74 98.571 -8.052 -7.910 1.00 1.00 C ATOM 1061 CG PRO A 74 97.958 -9.282 -7.362 1.00 1.00 C ATOM 1062 CD PRO A 74 96.474 -9.060 -7.458 1.00 1.00 C ATOM 0 HA PRO A 74 97.948 -6.347 -6.646 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.681 -8.115 -8.993 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.567 -7.890 -7.498 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.262 -10.161 -7.931 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.265 -9.449 -6.330 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.087 -9.345 -8.436 1.00 1.00 H new ATOM 0 HD3 PRO A 74 95.931 -9.646 -6.717 1.00 1.00 H new ATOM 1070 N ALA A 75 98.418 -4.911 -8.515 1.00 1.00 N ATOM 1071 CA ALA A 75 98.533 -3.825 -9.478 1.00 1.00 C ATOM 1072 C ALA A 75 99.959 -3.832 -10.023 1.00 1.00 C ATOM 1073 O ALA A 75 100.892 -4.165 -9.292 1.00 1.00 O ATOM 1074 CB ALA A 75 98.251 -2.495 -8.790 1.00 1.00 C ATOM 0 H ALA A 75 99.094 -4.857 -7.753 1.00 1.00 H new ATOM 0 HA ALA A 75 97.815 -3.956 -10.288 1.00 1.00 H new ATOM 0 HB1 ALA A 75 98.338 -1.685 -9.514 1.00 1.00 H new ATOM 0 HB2 ALA A 75 97.242 -2.506 -8.377 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.971 -2.342 -7.986 1.00 1.00 H new ATOM 1080 N THR A 76 100.138 -3.492 -11.298 1.00 1.00 N ATOM 1081 CA THR A 76 101.480 -3.503 -11.897 1.00 1.00 C ATOM 1082 C THR A 76 102.039 -2.106 -12.094 1.00 1.00 C ATOM 1083 O THR A 76 101.345 -1.199 -12.554 1.00 1.00 O ATOM 1084 CB THR A 76 101.451 -4.245 -13.230 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.700 -4.086 -13.891 1.00 1.00 O ATOM 1086 CG2 THR A 76 100.330 -3.701 -14.116 1.00 1.00 C ATOM 0 H THR A 76 99.389 -3.210 -11.930 1.00 1.00 H new ATOM 0 HA THR A 76 102.140 -4.020 -11.200 1.00 1.00 H new ATOM 0 HB THR A 76 101.269 -5.303 -13.041 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.681 -4.564 -14.746 1.00 1.00 H new ATOM 0 HG21 THR A 76 100.321 -4.240 -15.064 1.00 1.00 H new ATOM 0 HG22 THR A 76 99.372 -3.835 -13.614 1.00 1.00 H new ATOM 0 HG23 THR A 76 100.497 -2.640 -14.303 1.00 1.00 H new ATOM 1094 N PHE A 77 103.317 -1.951 -11.746 1.00 1.00 N ATOM 1095 CA PHE A 77 103.994 -0.673 -11.895 1.00 1.00 C ATOM 1096 C PHE A 77 105.464 -0.880 -12.149 1.00 1.00 C ATOM 1097 O PHE A 77 106.065 -1.826 -11.647 1.00 1.00 O ATOM 1098 CB PHE A 77 103.905 0.171 -10.633 1.00 1.00 C ATOM 1099 CG PHE A 77 102.528 0.143 -10.066 1.00 1.00 C ATOM 1100 CD1 PHE A 77 102.312 -0.440 -8.820 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.474 0.720 -10.772 1.00 1.00 C ATOM 1102 CE1 PHE A 77 101.029 -0.448 -8.270 1.00 1.00 C ATOM 1103 CE2 PHE A 77 100.195 0.716 -10.232 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.967 0.133 -8.977 1.00 1.00 C ATOM 0 H PHE A 77 103.898 -2.695 -11.361 1.00 1.00 H new ATOM 0 HA PHE A 77 103.502 -0.170 -12.727 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.614 -0.200 -9.893 1.00 1.00 H new ATOM 0 HB3 PHE A 77 104.188 1.199 -10.859 1.00 1.00 H new ATOM 0 HD1 PHE A 77 103.135 -0.885 -8.280 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.652 1.170 -11.738 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.855 -0.900 -7.304 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.376 1.161 -10.778 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.973 0.132 -8.555 1.00 1.00 H new ATOM 1114 N GLN A 78 106.055 0.058 -12.854 1.00 1.00 N ATOM 1115 CA GLN A 78 107.482 0.017 -13.084 1.00 1.00 C ATOM 1116 C GLN A 78 108.151 0.724 -11.933 1.00 1.00 C ATOM 1117 O GLN A 78 107.771 1.837 -11.570 1.00 1.00 O ATOM 1118 CB GLN A 78 107.861 0.677 -14.399 1.00 1.00 C ATOM 1119 CG GLN A 78 107.424 -0.214 -15.548 1.00 1.00 C ATOM 1120 CD GLN A 78 107.952 0.361 -16.853 1.00 1.00 C ATOM 1121 OE1 GLN A 78 108.680 1.435 -16.799 1.00 1.00 O flip ATOM 1122 NE2 GLN A 78 107.700 -0.176 -17.931 1.00 1.00 N flip ATOM 0 H GLN A 78 105.575 0.853 -13.275 1.00 1.00 H new ATOM 0 HA GLN A 78 107.809 -1.021 -13.148 1.00 1.00 H new ATOM 0 HB2 GLN A 78 107.385 1.654 -14.480 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.938 0.842 -14.440 1.00 1.00 H new ATOM 0 HG2 GLN A 78 107.801 -1.226 -15.403 1.00 1.00 H new ATOM 0 HG3 GLN A 78 106.336 -0.281 -15.579 1.00 1.00 H new ATOM 0 HE21 GLN A 78 107.127 -1.019 -17.959 1.00 1.00 H new ATOM 0 HE22 GLN A 78 108.064 0.222 -18.797 1.00 1.00 H new ATOM 1131 N VAL A 79 109.115 0.062 -11.329 1.00 1.00 N ATOM 1132 CA VAL A 79 109.779 0.634 -10.187 1.00 1.00 C ATOM 1133 C VAL A 79 110.339 2.016 -10.518 1.00 1.00 C ATOM 1134 O VAL A 79 110.424 2.868 -9.639 1.00 1.00 O ATOM 1135 CB VAL A 79 110.942 -0.260 -9.727 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.503 0.284 -8.429 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.477 -1.686 -9.481 1.00 1.00 C ATOM 0 H VAL A 79 109.450 -0.860 -11.608 1.00 1.00 H new ATOM 0 HA VAL A 79 109.038 0.717 -9.392 1.00 1.00 H new ATOM 0 HB VAL A 79 111.698 -0.263 -10.512 1.00 1.00 H new ATOM 0 HG11 VAL A 79 112.328 -0.346 -8.097 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.863 1.301 -8.586 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.722 0.289 -7.669 1.00 1.00 H new ATOM 0 HG21 VAL A 79 111.322 -2.293 -9.157 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.709 -1.690 -8.707 1.00 1.00 H new ATOM 0 HG23 VAL A 79 110.066 -2.099 -10.402 1.00 1.00 H new ATOM 1141 N SER A 80 110.757 2.237 -11.766 1.00 1.00 N ATOM 1142 CA SER A 80 111.353 3.519 -12.113 1.00 1.00 C ATOM 1143 C SER A 80 110.322 4.629 -12.172 1.00 1.00 C ATOM 1144 O SER A 80 110.646 5.800 -11.985 1.00 1.00 O ATOM 1145 CB SER A 80 112.042 3.424 -13.477 1.00 1.00 C ATOM 1146 OG SER A 80 112.126 4.722 -14.055 1.00 1.00 O ATOM 0 H SER A 80 110.695 1.564 -12.530 1.00 1.00 H new ATOM 0 HA SER A 80 112.075 3.757 -11.332 1.00 1.00 H new ATOM 0 HB2 SER A 80 113.039 2.999 -13.364 1.00 1.00 H new ATOM 0 HB3 SER A 80 111.483 2.757 -14.133 1.00 1.00 H new ATOM 0 HG SER A 80 111.344 4.878 -14.624 1.00 1.00 H new ATOM 1152 N GLN A 81 109.090 4.257 -12.460 1.00 1.00 N ATOM 1153 CA GLN A 81 108.013 5.233 -12.588 1.00 1.00 C ATOM 1154 C GLN A 81 107.169 5.345 -11.332 1.00 1.00 C ATOM 1155 O GLN A 81 106.303 6.214 -11.249 1.00 1.00 O ATOM 1156 CB GLN A 81 107.079 4.799 -13.710 1.00 1.00 C ATOM 1157 CG GLN A 81 107.844 4.536 -14.994 1.00 1.00 C ATOM 1158 CD GLN A 81 108.730 5.724 -15.358 1.00 1.00 C ATOM 1159 OE1 GLN A 81 109.933 5.504 -15.814 1.00 1.00 O flip ATOM 1160 NE2 GLN A 81 108.316 6.876 -15.231 1.00 1.00 N flip ATOM 0 H GLN A 81 108.805 3.289 -12.610 1.00 1.00 H new ATOM 0 HA GLN A 81 108.485 6.196 -12.784 1.00 1.00 H new ATOM 0 HB2 GLN A 81 106.544 3.897 -13.412 1.00 1.00 H new ATOM 0 HB3 GLN A 81 106.330 5.572 -13.882 1.00 1.00 H new ATOM 0 HG2 GLN A 81 108.458 3.642 -14.879 1.00 1.00 H new ATOM 0 HG3 GLN A 81 107.143 4.339 -15.805 1.00 1.00 H new ATOM 0 HE21 GLN A 81 107.375 7.043 -14.874 1.00 1.00 H new ATOM 0 HE22 GLN A 81 108.914 7.663 -15.483 1.00 1.00 H new ATOM 1169 N VAL A 82 107.344 4.428 -10.392 1.00 1.00 N ATOM 1170 CA VAL A 82 106.502 4.426 -9.207 1.00 1.00 C ATOM 1171 C VAL A 82 106.812 5.586 -8.257 1.00 1.00 C ATOM 1172 O VAL A 82 107.806 6.290 -8.432 1.00 1.00 O ATOM 1173 CB VAL A 82 106.612 3.043 -8.546 1.00 1.00 C ATOM 1174 CG1 VAL A 82 107.745 3.046 -7.556 1.00 1.00 C ATOM 1175 CG2 VAL A 82 105.324 2.667 -7.830 1.00 1.00 C ATOM 0 H VAL A 82 108.047 3.690 -10.425 1.00 1.00 H new ATOM 0 HA VAL A 82 105.464 4.597 -9.493 1.00 1.00 H new ATOM 0 HB VAL A 82 106.798 2.309 -9.330 1.00 1.00 H new ATOM 0 HG11 VAL A 82 107.822 2.065 -7.088 1.00 1.00 H new ATOM 0 HG12 VAL A 82 108.678 3.276 -8.071 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.558 3.799 -6.791 1.00 1.00 H new ATOM 0 HG21 VAL A 82 105.435 1.684 -7.373 1.00 1.00 H new ATOM 0 HG22 VAL A 82 105.109 3.404 -7.056 1.00 1.00 H new ATOM 0 HG23 VAL A 82 104.503 2.644 -8.547 1.00 1.00 H new ATOM 1179 N ILE A 83 105.939 5.796 -7.254 1.00 1.00 N ATOM 1180 CA ILE A 83 106.145 6.901 -6.315 1.00 1.00 C ATOM 1181 C ILE A 83 107.590 6.784 -5.785 1.00 1.00 C ATOM 1182 O ILE A 83 108.106 5.672 -5.681 1.00 1.00 O ATOM 1183 CB ILE A 83 105.088 6.871 -5.151 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.959 5.905 -5.492 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.446 8.254 -4.956 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.948 5.839 -4.343 1.00 1.00 C ATOM 0 H ILE A 83 105.109 5.230 -7.080 1.00 1.00 H new ATOM 0 HA ILE A 83 106.006 7.860 -6.814 1.00 1.00 H new ATOM 0 HB ILE A 83 105.613 6.563 -4.247 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.460 6.227 -6.406 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.366 4.912 -5.684 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.719 8.207 -4.145 1.00 1.00 H new ATOM 0 HG22 ILE A 83 105.218 8.982 -4.708 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.945 8.555 -5.876 1.00 1.00 H new ATOM 0 HD11 ILE A 83 102.148 5.145 -4.602 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.448 5.495 -3.438 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.527 6.830 -4.171 1.00 1.00 H new ATOM 1193 N PRO A 84 108.287 7.871 -5.505 1.00 1.00 N ATOM 1194 CA PRO A 84 109.710 7.784 -5.059 1.00 1.00 C ATOM 1195 C PRO A 84 109.908 6.794 -3.930 1.00 1.00 C ATOM 1196 O PRO A 84 110.854 6.007 -3.937 1.00 1.00 O ATOM 1197 CB PRO A 84 110.030 9.207 -4.579 1.00 1.00 C ATOM 1198 CG PRO A 84 109.089 10.095 -5.317 1.00 1.00 C ATOM 1199 CD PRO A 84 107.827 9.274 -5.558 1.00 1.00 C ATOM 0 HA PRO A 84 110.359 7.434 -5.862 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.893 9.298 -3.502 1.00 1.00 H new ATOM 0 HB3 PRO A 84 111.066 9.470 -4.792 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.865 10.991 -4.738 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.524 10.425 -6.260 1.00 1.00 H new ATOM 0 HD2 PRO A 84 107.072 9.474 -4.798 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.378 9.509 -6.523 1.00 1.00 H new ATOM 1207 N GLY A 85 109.026 6.848 -2.954 1.00 1.00 N ATOM 1208 CA GLY A 85 109.145 5.955 -1.820 1.00 1.00 C ATOM 1209 C GLY A 85 109.074 4.498 -2.254 1.00 1.00 C ATOM 1210 O GLY A 85 109.877 3.659 -1.846 1.00 1.00 O ATOM 0 H GLY A 85 108.233 7.488 -2.921 1.00 1.00 H new ATOM 0 HA2 GLY A 85 110.089 6.138 -1.307 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.349 6.163 -1.105 1.00 1.00 H new ATOM 1214 N TRP A 86 108.086 4.233 -3.081 1.00 1.00 N ATOM 1215 CA TRP A 86 107.823 2.900 -3.616 1.00 1.00 C ATOM 1216 C TRP A 86 108.989 2.404 -4.501 1.00 1.00 C ATOM 1217 O TRP A 86 109.236 1.206 -4.583 1.00 1.00 O ATOM 1218 CB TRP A 86 106.509 2.976 -4.425 1.00 1.00 C ATOM 1219 CG TRP A 86 105.298 2.684 -3.588 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.834 3.409 -2.550 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.350 1.619 -3.775 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.694 2.817 -2.057 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.351 1.711 -2.784 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.281 0.584 -4.690 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.312 0.796 -2.715 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.236 -0.335 -4.626 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.252 -0.233 -3.638 1.00 1.00 C ATOM 0 H TRP A 86 107.430 4.942 -3.410 1.00 1.00 H new ATOM 0 HA TRP A 86 107.729 2.183 -2.800 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.413 3.970 -4.862 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.554 2.267 -5.252 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.286 4.312 -2.166 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.171 3.160 -1.251 1.00 1.00 H new ATOM 0 HE3 TRP A 86 105.038 0.488 -5.455 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.557 0.885 -1.948 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.185 -1.136 -5.348 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.449 -0.954 -3.595 1.00 1.00 H new ATOM 1238 N THR A 87 109.685 3.313 -5.177 1.00 1.00 N ATOM 1239 CA THR A 87 110.785 2.922 -6.059 1.00 1.00 C ATOM 1240 C THR A 87 111.845 2.107 -5.313 1.00 1.00 C ATOM 1241 O THR A 87 112.225 1.021 -5.752 1.00 1.00 O ATOM 1242 CB THR A 87 111.441 4.200 -6.629 1.00 1.00 C ATOM 1243 OG1 THR A 87 110.476 4.914 -7.388 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.645 3.863 -7.531 1.00 1.00 C ATOM 0 H THR A 87 109.511 4.317 -5.134 1.00 1.00 H new ATOM 0 HA THR A 87 110.381 2.300 -6.858 1.00 1.00 H new ATOM 0 HB THR A 87 111.800 4.803 -5.795 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.788 5.271 -6.789 1.00 1.00 H new ATOM 0 HG21 THR A 87 113.082 4.785 -7.914 1.00 1.00 H new ATOM 0 HG22 THR A 87 113.393 3.321 -6.952 1.00 1.00 H new ATOM 0 HG23 THR A 87 112.313 3.245 -8.365 1.00 1.00 H new ATOM 1252 N GLU A 88 112.338 2.652 -4.213 1.00 1.00 N ATOM 1253 CA GLU A 88 113.386 1.996 -3.438 1.00 1.00 C ATOM 1254 C GLU A 88 112.894 0.765 -2.677 1.00 1.00 C ATOM 1255 O GLU A 88 113.628 -0.205 -2.532 1.00 1.00 O ATOM 1256 CB GLU A 88 113.991 3.008 -2.454 1.00 1.00 C ATOM 1257 CG GLU A 88 115.161 2.379 -1.681 1.00 1.00 C ATOM 1258 CD GLU A 88 116.305 2.052 -2.635 1.00 1.00 C ATOM 1259 OE1 GLU A 88 116.321 2.610 -3.721 1.00 1.00 O ATOM 1260 OE2 GLU A 88 117.153 1.257 -2.263 1.00 1.00 O ATOM 0 H GLU A 88 112.031 3.548 -3.834 1.00 1.00 H new ATOM 0 HA GLU A 88 114.137 1.643 -4.144 1.00 1.00 H new ATOM 0 HB2 GLU A 88 114.338 3.888 -2.996 1.00 1.00 H new ATOM 0 HB3 GLU A 88 113.226 3.345 -1.755 1.00 1.00 H new ATOM 0 HG2 GLU A 88 115.507 3.065 -0.908 1.00 1.00 H new ATOM 0 HG3 GLU A 88 114.828 1.472 -1.176 1.00 1.00 H new ATOM 1267 N ALA A 89 111.689 0.832 -2.135 1.00 1.00 N ATOM 1268 CA ALA A 89 111.171 -0.271 -1.324 1.00 1.00 C ATOM 1269 C ALA A 89 110.974 -1.585 -2.090 1.00 1.00 C ATOM 1270 O ALA A 89 111.303 -2.654 -1.574 1.00 1.00 O ATOM 1271 CB ALA A 89 109.838 0.136 -0.719 1.00 1.00 C ATOM 0 H ALA A 89 111.055 1.624 -2.236 1.00 1.00 H new ATOM 0 HA ALA A 89 111.928 -0.462 -0.563 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.448 -0.682 -0.114 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.977 1.017 -0.092 1.00 1.00 H new ATOM 0 HB3 ALA A 89 109.132 0.366 -1.517 1.00 1.00 H new ATOM 1277 N LEU A 90 110.408 -1.517 -3.290 1.00 1.00 N ATOM 1278 CA LEU A 90 110.140 -2.725 -4.074 1.00 1.00 C ATOM 1279 C LEU A 90 111.424 -3.494 -4.335 1.00 1.00 C ATOM 1280 O LEU A 90 111.439 -4.726 -4.355 1.00 1.00 O ATOM 1281 CB LEU A 90 109.540 -2.335 -5.424 1.00 1.00 C ATOM 1282 CG LEU A 90 108.226 -1.581 -5.217 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.895 -0.819 -6.492 1.00 1.00 C ATOM 1284 CD2 LEU A 90 107.098 -2.552 -4.907 1.00 1.00 C ATOM 0 H LEU A 90 110.126 -0.647 -3.742 1.00 1.00 H new ATOM 0 HA LEU A 90 109.449 -3.349 -3.508 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.243 -1.712 -5.977 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.365 -3.228 -6.025 1.00 1.00 H new ATOM 0 HG LEU A 90 108.335 -0.893 -4.379 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.959 -0.276 -6.359 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.696 -0.113 -6.712 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.792 -1.521 -7.319 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.170 -1.998 -4.763 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.979 -3.249 -5.737 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.335 -3.107 -3.999 1.00 1.00 H new ATOM 1296 N GLN A 91 112.487 -2.751 -4.575 1.00 1.00 N ATOM 1297 CA GLN A 91 113.774 -3.337 -4.878 1.00 1.00 C ATOM 1298 C GLN A 91 114.317 -4.119 -3.696 1.00 1.00 C ATOM 1299 O GLN A 91 115.150 -5.011 -3.861 1.00 1.00 O ATOM 1300 CB GLN A 91 114.750 -2.226 -5.240 1.00 1.00 C ATOM 1301 CG GLN A 91 114.233 -1.490 -6.473 1.00 1.00 C ATOM 1302 CD GLN A 91 115.105 -0.270 -6.756 1.00 1.00 C ATOM 1303 OE1 GLN A 91 114.549 0.839 -7.162 1.00 1.00 O flip ATOM 1304 NE2 GLN A 91 116.325 -0.330 -6.601 1.00 1.00 N flip ATOM 0 H GLN A 91 112.481 -1.731 -4.565 1.00 1.00 H new ATOM 0 HA GLN A 91 113.653 -4.027 -5.713 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.857 -1.533 -4.406 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.738 -2.643 -5.437 1.00 1.00 H new ATOM 0 HG2 GLN A 91 114.238 -2.158 -7.334 1.00 1.00 H new ATOM 0 HG3 GLN A 91 113.200 -1.180 -6.315 1.00 1.00 H new ATOM 0 HE21 GLN A 91 116.757 -1.198 -6.284 1.00 1.00 H new ATOM 0 HE22 GLN A 91 116.904 0.488 -6.790 1.00 1.00 H new ATOM 1313 N LEU A 92 113.860 -3.765 -2.499 1.00 1.00 N ATOM 1314 CA LEU A 92 114.330 -4.427 -1.284 1.00 1.00 C ATOM 1315 C LEU A 92 113.314 -5.432 -0.779 1.00 1.00 C ATOM 1316 O LEU A 92 113.655 -6.297 0.015 1.00 1.00 O ATOM 1317 CB LEU A 92 114.590 -3.380 -0.196 1.00 1.00 C ATOM 1318 CG LEU A 92 115.434 -2.236 -0.763 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.536 -1.115 0.254 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.825 -2.733 -1.125 1.00 1.00 C ATOM 0 H LEU A 92 113.170 -3.030 -2.343 1.00 1.00 H new ATOM 0 HA LEU A 92 115.252 -4.958 -1.522 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.644 -2.993 0.181 1.00 1.00 H new ATOM 0 HB3 LEU A 92 115.105 -3.840 0.647 1.00 1.00 H new ATOM 0 HG LEU A 92 114.951 -1.859 -1.665 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.138 -0.305 -0.157 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.538 -0.743 0.487 1.00 1.00 H new ATOM 0 HD13 LEU A 92 116.005 -1.490 1.163 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.413 -1.908 -1.527 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.314 -3.127 -0.234 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.746 -3.521 -1.874 1.00 1.00 H new ATOM 1332 N MET A 93 112.068 -5.297 -1.222 1.00 1.00 N ATOM 1333 CA MET A 93 111.005 -6.196 -0.777 1.00 1.00 C ATOM 1334 C MET A 93 111.000 -7.543 -1.548 1.00 1.00 C ATOM 1335 O MET A 93 110.628 -7.568 -2.723 1.00 1.00 O ATOM 1336 CB MET A 93 109.654 -5.500 -0.973 1.00 1.00 C ATOM 1337 CG MET A 93 108.526 -6.463 -0.590 1.00 1.00 C ATOM 1338 SD MET A 93 106.995 -5.544 -0.290 1.00 1.00 S ATOM 1339 CE MET A 93 106.540 -5.201 -2.007 1.00 1.00 C ATOM 0 H MET A 93 111.769 -4.580 -1.883 1.00 1.00 H new ATOM 0 HA MET A 93 111.183 -6.424 0.274 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.603 -4.601 -0.359 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.542 -5.185 -2.010 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.372 -7.190 -1.387 1.00 1.00 H new ATOM 0 HG3 MET A 93 108.804 -7.023 0.303 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.508 -4.123 -2.167 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.278 -5.645 -2.675 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.559 -5.628 -2.216 1.00 1.00 H new ATOM 1349 N PRO A 94 111.370 -8.669 -0.930 1.00 1.00 N ATOM 1350 CA PRO A 94 111.359 -10.009 -1.610 1.00 1.00 C ATOM 1351 C PRO A 94 109.953 -10.489 -1.967 1.00 1.00 C ATOM 1352 O PRO A 94 108.981 -10.184 -1.276 1.00 1.00 O ATOM 1353 CB PRO A 94 112.030 -10.956 -0.600 1.00 1.00 C ATOM 1354 CG PRO A 94 112.684 -10.076 0.408 1.00 1.00 C ATOM 1355 CD PRO A 94 111.842 -8.818 0.455 1.00 1.00 C ATOM 0 HA PRO A 94 111.880 -9.968 -2.567 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.296 -11.610 -0.130 1.00 1.00 H new ATOM 0 HB3 PRO A 94 112.761 -11.598 -1.092 1.00 1.00 H new ATOM 0 HG2 PRO A 94 112.722 -10.559 1.384 1.00 1.00 H new ATOM 0 HG3 PRO A 94 113.712 -9.850 0.124 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.011 -8.917 1.154 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.427 -7.955 0.775 1.00 1.00 H new ATOM 1363 N ALA A 95 109.862 -11.237 -3.060 1.00 1.00 N ATOM 1364 CA ALA A 95 108.579 -11.751 -3.518 1.00 1.00 C ATOM 1365 C ALA A 95 107.983 -12.730 -2.534 1.00 1.00 C ATOM 1366 O ALA A 95 108.651 -13.640 -2.045 1.00 1.00 O ATOM 1367 CB ALA A 95 108.706 -12.394 -4.888 1.00 1.00 C ATOM 0 H ALA A 95 110.657 -11.500 -3.642 1.00 1.00 H new ATOM 0 HA ALA A 95 107.903 -10.899 -3.594 1.00 1.00 H new ATOM 0 HB1 ALA A 95 107.733 -12.769 -5.205 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.061 -11.654 -5.605 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.415 -13.221 -4.838 1.00 1.00 H new ATOM 1373 N GLY A 96 106.711 -12.509 -2.230 1.00 1.00 N ATOM 1374 CA GLY A 96 106.003 -13.337 -1.281 1.00 1.00 C ATOM 1375 C GLY A 96 106.037 -12.648 0.063 1.00 1.00 C ATOM 1376 O GLY A 96 105.264 -12.967 0.965 1.00 1.00 O ATOM 0 H GLY A 96 106.152 -11.757 -2.633 1.00 1.00 H new ATOM 0 HA2 GLY A 96 104.973 -13.490 -1.604 1.00 1.00 H new ATOM 0 HA3 GLY A 96 106.466 -14.322 -1.215 1.00 1.00 H new ATOM 1380 N SER A 97 106.949 -11.680 0.180 1.00 1.00 N ATOM 1381 CA SER A 97 107.091 -10.921 1.405 1.00 1.00 C ATOM 1382 C SER A 97 106.165 -9.715 1.384 1.00 1.00 C ATOM 1383 O SER A 97 106.018 -9.044 0.363 1.00 1.00 O ATOM 1384 CB SER A 97 108.542 -10.463 1.548 1.00 1.00 C ATOM 1385 OG SER A 97 108.710 -9.231 0.865 1.00 1.00 O ATOM 0 H SER A 97 107.595 -11.411 -0.562 1.00 1.00 H new ATOM 0 HA SER A 97 106.823 -11.551 2.253 1.00 1.00 H new ATOM 0 HB2 SER A 97 108.797 -10.347 2.601 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.216 -11.215 1.138 1.00 1.00 H new ATOM 0 HG SER A 97 109.002 -9.404 -0.054 1.00 1.00 H new ATOM 1391 N THR A 98 105.546 -9.446 2.528 1.00 1.00 N ATOM 1392 CA THR A 98 104.629 -8.315 2.657 1.00 1.00 C ATOM 1393 C THR A 98 105.237 -7.252 3.537 1.00 1.00 C ATOM 1394 O THR A 98 105.523 -7.492 4.709 1.00 1.00 O ATOM 1395 CB THR A 98 103.309 -8.767 3.261 1.00 1.00 C ATOM 1396 OG1 THR A 98 102.771 -9.827 2.484 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.345 -7.591 3.259 1.00 1.00 C ATOM 0 H THR A 98 105.661 -9.994 3.380 1.00 1.00 H new ATOM 0 HA THR A 98 104.448 -7.907 1.663 1.00 1.00 H new ATOM 0 HB THR A 98 103.465 -9.117 4.281 1.00 1.00 H new ATOM 0 HG1 THR A 98 101.921 -10.120 2.874 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.393 -7.900 3.690 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.763 -6.777 3.850 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.187 -7.252 2.235 1.00 1.00 H new ATOM 1405 N TRP A 99 105.465 -6.072 2.963 1.00 1.00 N ATOM 1406 CA TRP A 99 106.066 -4.967 3.706 1.00 1.00 C ATOM 1407 C TRP A 99 105.104 -3.795 3.789 1.00 1.00 C ATOM 1408 O TRP A 99 104.105 -3.721 3.075 1.00 1.00 O ATOM 1409 CB TRP A 99 107.333 -4.432 3.009 1.00 1.00 C ATOM 1410 CG TRP A 99 108.494 -5.386 3.061 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.456 -6.715 3.328 1.00 1.00 C ATOM 1412 CD2 TRP A 99 109.891 -5.062 2.842 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.733 -7.225 3.277 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.658 -6.243 2.981 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.558 -3.860 2.534 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.043 -6.234 2.822 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 111.953 -3.849 2.375 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.694 -5.033 2.518 1.00 1.00 C ATOM 0 H TRP A 99 105.244 -5.857 1.991 1.00 1.00 H new ATOM 0 HA TRP A 99 106.309 -5.362 4.693 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.100 -4.212 1.967 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.625 -3.491 3.475 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.564 -7.284 3.546 1.00 1.00 H new ATOM 0 HE1 TRP A 99 109.967 -8.205 3.438 1.00 1.00 H new ATOM 0 HE3 TRP A 99 109.995 -2.945 2.420 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.609 -7.147 2.933 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.459 -2.924 2.141 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.767 -5.017 2.393 1.00 1.00 H new ATOM 1429 N GLU A 100 105.487 -2.847 4.623 1.00 1.00 N ATOM 1430 CA GLU A 100 104.763 -1.600 4.788 1.00 1.00 C ATOM 1431 C GLU A 100 105.769 -0.492 4.674 1.00 1.00 C ATOM 1432 O GLU A 100 106.822 -0.555 5.307 1.00 1.00 O ATOM 1433 CB GLU A 100 104.076 -1.509 6.149 1.00 1.00 C ATOM 1434 CG GLU A 100 102.803 -2.348 6.132 1.00 1.00 C ATOM 1435 CD GLU A 100 102.158 -2.353 7.513 1.00 1.00 C ATOM 1436 OE1 GLU A 100 101.113 -2.967 7.653 1.00 1.00 O ATOM 1437 OE2 GLU A 100 102.719 -1.745 8.410 1.00 1.00 O ATOM 0 H GLU A 100 106.317 -2.921 5.211 1.00 1.00 H new ATOM 0 HA GLU A 100 103.984 -1.534 4.028 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.747 -1.863 6.932 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.837 -0.471 6.379 1.00 1.00 H new ATOM 0 HG2 GLU A 100 102.104 -1.947 5.398 1.00 1.00 H new ATOM 0 HG3 GLU A 100 103.035 -3.368 5.827 1.00 1.00 H new ATOM 1444 N ILE A 101 105.462 0.527 3.887 1.00 1.00 N ATOM 1445 CA ILE A 101 106.376 1.638 3.736 1.00 1.00 C ATOM 1446 C ILE A 101 105.630 2.914 4.013 1.00 1.00 C ATOM 1447 O ILE A 101 104.485 3.090 3.604 1.00 1.00 O ATOM 1448 CB ILE A 101 107.064 1.612 2.362 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.232 2.282 1.266 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.307 0.148 1.986 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.085 2.360 0.009 1.00 1.00 C ATOM 0 H ILE A 101 104.598 0.604 3.351 1.00 1.00 H new ATOM 0 HA ILE A 101 107.188 1.562 4.459 1.00 1.00 H new ATOM 0 HB ILE A 101 107.995 2.173 2.438 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.323 1.711 1.075 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.922 3.279 1.579 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.795 0.099 1.013 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.945 -0.319 2.736 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.354 -0.379 1.941 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.514 2.835 -0.789 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.981 2.947 0.213 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.372 1.355 -0.299 1.00 1.00 H new ATOM 1458 N TYR A 102 106.287 3.784 4.751 1.00 1.00 N ATOM 1459 CA TYR A 102 105.707 5.038 5.152 1.00 1.00 C ATOM 1460 C TYR A 102 106.426 6.098 4.354 1.00 1.00 C ATOM 1461 O TYR A 102 107.594 6.401 4.598 1.00 1.00 O ATOM 1462 CB TYR A 102 105.931 5.235 6.657 1.00 1.00 C ATOM 1463 CG TYR A 102 105.418 4.032 7.459 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.850 2.721 7.172 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.515 4.228 8.512 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.387 1.642 7.918 1.00 1.00 C ATOM 1467 CE2 TYR A 102 104.047 3.140 9.261 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.484 1.844 8.964 1.00 1.00 C ATOM 1469 OH TYR A 102 104.031 0.772 9.707 1.00 1.00 O ATOM 0 H TYR A 102 107.239 3.637 5.087 1.00 1.00 H new ATOM 0 HA TYR A 102 104.633 5.081 4.970 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.994 5.379 6.853 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.420 6.140 6.988 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.547 2.553 6.365 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.177 5.226 8.749 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.727 0.643 7.687 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.348 3.302 10.068 1.00 1.00 H new ATOM 0 HH TYR A 102 103.641 0.101 9.109 1.00 1.00 H new ATOM 1479 N VAL A 103 105.746 6.582 3.325 1.00 1.00 N ATOM 1480 CA VAL A 103 106.343 7.523 2.396 1.00 1.00 C ATOM 1481 C VAL A 103 106.166 8.984 2.777 1.00 1.00 C ATOM 1482 O VAL A 103 105.052 9.503 2.738 1.00 1.00 O ATOM 1483 CB VAL A 103 105.750 7.338 0.998 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.640 8.056 -0.019 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.659 5.850 0.667 1.00 1.00 C ATOM 0 H VAL A 103 104.779 6.336 3.114 1.00 1.00 H new ATOM 0 HA VAL A 103 107.410 7.300 2.423 1.00 1.00 H new ATOM 0 HB VAL A 103 104.746 7.762 0.962 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.225 7.930 -1.019 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.686 9.118 0.223 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.644 7.633 0.013 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.236 5.724 -0.330 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.655 5.409 0.697 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.021 5.353 1.397 1.00 1.00 H new ATOM 1489 N PRO A 104 107.242 9.679 3.073 1.00 1.00 N ATOM 1490 CA PRO A 104 107.158 11.124 3.375 1.00 1.00 C ATOM 1491 C PRO A 104 106.393 11.837 2.266 1.00 1.00 C ATOM 1492 O PRO A 104 106.486 11.456 1.099 1.00 1.00 O ATOM 1493 CB PRO A 104 108.626 11.582 3.414 1.00 1.00 C ATOM 1494 CG PRO A 104 109.444 10.348 3.674 1.00 1.00 C ATOM 1495 CD PRO A 104 108.627 9.165 3.176 1.00 1.00 C ATOM 0 HA PRO A 104 106.635 11.342 4.306 1.00 1.00 H new ATOM 0 HB2 PRO A 104 108.913 12.048 2.472 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.781 12.324 4.197 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.401 10.402 3.155 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.663 10.246 4.737 1.00 1.00 H new ATOM 0 HD2 PRO A 104 108.991 8.811 2.211 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.687 8.324 3.867 1.00 1.00 H new ATOM 1503 N SER A 105 105.619 12.845 2.629 1.00 1.00 N ATOM 1504 CA SER A 105 104.833 13.559 1.641 1.00 1.00 C ATOM 1505 C SER A 105 105.695 13.974 0.455 1.00 1.00 C ATOM 1506 O SER A 105 105.218 14.044 -0.679 1.00 1.00 O ATOM 1507 CB SER A 105 104.194 14.793 2.272 1.00 1.00 C ATOM 1508 OG SER A 105 105.211 15.668 2.737 1.00 1.00 O ATOM 0 H SER A 105 105.519 13.183 3.586 1.00 1.00 H new ATOM 0 HA SER A 105 104.051 12.890 1.282 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.566 15.304 1.542 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.547 14.498 3.098 1.00 1.00 H new ATOM 0 HG SER A 105 104.801 16.461 3.141 1.00 1.00 H new ATOM 1514 N GLY A 106 106.961 14.250 0.726 1.00 1.00 N ATOM 1515 CA GLY A 106 107.889 14.660 -0.321 1.00 1.00 C ATOM 1516 C GLY A 106 108.208 13.511 -1.267 1.00 1.00 C ATOM 1517 O GLY A 106 108.470 13.724 -2.450 1.00 1.00 O ATOM 0 H GLY A 106 107.370 14.198 1.659 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.460 15.488 -0.885 1.00 1.00 H new ATOM 0 HA3 GLY A 106 108.810 15.026 0.131 1.00 1.00 H new ATOM 1521 N LEU A 107 108.205 12.291 -0.731 1.00 1.00 N ATOM 1522 CA LEU A 107 108.516 11.098 -1.528 1.00 1.00 C ATOM 1523 C LEU A 107 107.241 10.384 -1.938 1.00 1.00 C ATOM 1524 O LEU A 107 107.295 9.307 -2.524 1.00 1.00 O ATOM 1525 CB LEU A 107 109.386 10.123 -0.715 1.00 1.00 C ATOM 1526 CG LEU A 107 110.671 10.811 -0.232 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.602 9.771 0.398 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.402 11.492 -1.396 1.00 1.00 C ATOM 0 H LEU A 107 107.992 12.100 0.248 1.00 1.00 H new ATOM 0 HA LEU A 107 109.056 11.422 -2.418 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.822 9.753 0.141 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.640 9.258 -1.327 1.00 1.00 H new ATOM 0 HG LEU A 107 110.396 11.569 0.502 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.514 10.259 0.741 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.102 9.301 1.245 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.853 9.012 -0.343 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.308 11.971 -1.026 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.666 10.746 -2.146 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.752 12.243 -1.845 1.00 1.00 H new ATOM 1540 N ALA A 108 106.090 10.962 -1.583 1.00 1.00 N ATOM 1541 CA ALA A 108 104.805 10.355 -1.888 1.00 1.00 C ATOM 1542 C ALA A 108 104.069 11.134 -2.976 1.00 1.00 C ATOM 1543 O ALA A 108 104.436 11.077 -4.145 1.00 1.00 O ATOM 1544 CB ALA A 108 103.930 10.328 -0.635 1.00 1.00 C ATOM 0 H ALA A 108 106.029 11.850 -1.084 1.00 1.00 H new ATOM 0 HA ALA A 108 104.995 9.341 -2.241 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.969 9.872 -0.872 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.426 9.747 0.143 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.770 11.346 -0.281 1.00 1.00 H new ATOM 1550 N TYR A 109 102.992 11.827 -2.584 1.00 1.00 N ATOM 1551 CA TYR A 109 102.161 12.558 -3.528 1.00 1.00 C ATOM 1552 C TYR A 109 102.465 14.051 -3.610 1.00 1.00 C ATOM 1553 O TYR A 109 101.909 14.738 -4.467 1.00 1.00 O ATOM 1554 CB TYR A 109 100.696 12.301 -3.166 1.00 1.00 C ATOM 1555 CG TYR A 109 100.358 10.959 -3.744 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.308 9.840 -2.926 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.188 10.832 -5.124 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.093 8.594 -3.477 1.00 1.00 C ATOM 1559 CE2 TYR A 109 99.958 9.584 -5.679 1.00 1.00 C ATOM 1560 CZ TYR A 109 99.918 8.459 -4.854 1.00 1.00 C ATOM 1561 OH TYR A 109 99.735 7.219 -5.395 1.00 1.00 O ATOM 0 H TYR A 109 102.681 11.892 -1.615 1.00 1.00 H new ATOM 0 HA TYR A 109 102.385 12.187 -4.528 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.554 12.308 -2.085 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.050 13.077 -3.577 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.437 9.944 -1.859 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.236 11.705 -5.758 1.00 1.00 H new ATOM 0 HE1 TYR A 109 100.060 7.722 -2.841 1.00 1.00 H new ATOM 0 HE2 TYR A 109 99.810 9.482 -6.744 1.00 1.00 H new ATOM 0 HH TYR A 109 99.627 7.298 -6.366 1.00 1.00 H new ATOM 1571 N GLY A 110 103.368 14.554 -2.767 1.00 1.00 N ATOM 1572 CA GLY A 110 103.736 15.977 -2.829 1.00 1.00 C ATOM 1573 C GLY A 110 103.282 16.768 -1.607 1.00 1.00 C ATOM 1574 O GLY A 110 102.560 16.262 -0.747 1.00 1.00 O ATOM 0 H GLY A 110 103.851 14.016 -2.048 1.00 1.00 H new ATOM 0 HA2 GLY A 110 104.818 16.062 -2.927 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.299 16.420 -3.724 1.00 1.00 H new ATOM 1578 N PRO A 111 103.711 18.008 -1.536 1.00 1.00 N ATOM 1579 CA PRO A 111 103.374 18.936 -0.419 1.00 1.00 C ATOM 1580 C PRO A 111 101.935 19.431 -0.490 1.00 1.00 C ATOM 1581 O PRO A 111 101.313 19.695 0.533 1.00 1.00 O ATOM 1582 CB PRO A 111 104.363 20.086 -0.608 1.00 1.00 C ATOM 1583 CG PRO A 111 104.650 20.109 -2.072 1.00 1.00 C ATOM 1584 CD PRO A 111 104.573 18.660 -2.539 1.00 1.00 C ATOM 0 HA PRO A 111 103.450 18.454 0.556 1.00 1.00 H new ATOM 0 HB2 PRO A 111 103.937 21.032 -0.274 1.00 1.00 H new ATOM 0 HB3 PRO A 111 105.273 19.924 -0.030 1.00 1.00 H new ATOM 0 HG2 PRO A 111 103.926 20.728 -2.602 1.00 1.00 H new ATOM 0 HG3 PRO A 111 105.636 20.531 -2.270 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.148 18.585 -3.540 1.00 1.00 H new ATOM 0 HD3 PRO A 111 105.560 18.200 -2.577 1.00 1.00 H new ATOM 1592 N ARG A 112 101.415 19.556 -1.705 1.00 1.00 N ATOM 1593 CA ARG A 112 100.047 20.021 -1.896 1.00 1.00 C ATOM 1594 C ARG A 112 99.044 18.888 -1.719 1.00 1.00 C ATOM 1595 O ARG A 112 99.409 17.716 -1.643 1.00 1.00 O ATOM 1596 CB ARG A 112 99.862 20.615 -3.301 1.00 1.00 C ATOM 1597 CG ARG A 112 100.422 22.040 -3.360 1.00 1.00 C ATOM 1598 CD ARG A 112 100.185 22.622 -4.756 1.00 1.00 C ATOM 1599 NE ARG A 112 100.390 24.070 -4.734 1.00 1.00 N ATOM 1600 CZ ARG A 112 101.598 24.601 -4.916 1.00 1.00 C ATOM 1601 NH1 ARG A 112 102.639 23.824 -5.038 1.00 1.00 N ATOM 1602 NH2 ARG A 112 101.745 25.899 -4.937 1.00 1.00 N ATOM 0 H ARG A 112 101.916 19.343 -2.568 1.00 1.00 H new ATOM 0 HA ARG A 112 99.866 20.786 -1.141 1.00 1.00 H new ATOM 0 HB2 ARG A 112 100.367 19.989 -4.036 1.00 1.00 H new ATOM 0 HB3 ARG A 112 98.804 20.623 -3.562 1.00 1.00 H new ATOM 0 HG2 ARG A 112 99.940 22.664 -2.607 1.00 1.00 H new ATOM 0 HG3 ARG A 112 101.488 22.033 -3.133 1.00 1.00 H new ATOM 0 HD2 ARG A 112 100.865 22.161 -5.472 1.00 1.00 H new ATOM 0 HD3 ARG A 112 99.172 22.395 -5.087 1.00 1.00 H new ATOM 0 HE ARG A 112 99.592 24.685 -4.576 1.00 1.00 H new ATOM 0 HH11 ARG A 112 102.527 22.811 -4.994 1.00 1.00 H new ATOM 0 HH12 ARG A 112 103.564 24.229 -5.177 1.00 1.00 H new ATOM 0 HH21 ARG A 112 100.935 26.506 -4.814 1.00 1.00 H new ATOM 0 HH22 ARG A 112 102.670 26.305 -5.076 1.00 1.00 H new ATOM 1616 N SER A 113 97.769 19.259 -1.687 1.00 1.00 N ATOM 1617 CA SER A 113 96.705 18.286 -1.567 1.00 1.00 C ATOM 1618 C SER A 113 96.454 17.652 -2.932 1.00 1.00 C ATOM 1619 O SER A 113 95.637 18.138 -3.715 1.00 1.00 O ATOM 1620 CB SER A 113 95.429 18.968 -1.096 1.00 1.00 C ATOM 1621 OG SER A 113 95.722 19.811 0.010 1.00 1.00 O ATOM 0 H SER A 113 97.454 20.227 -1.743 1.00 1.00 H new ATOM 0 HA SER A 113 96.995 17.523 -0.844 1.00 1.00 H new ATOM 0 HB2 SER A 113 94.996 19.553 -1.908 1.00 1.00 H new ATOM 0 HB3 SER A 113 94.689 18.221 -0.811 1.00 1.00 H new ATOM 0 HG SER A 113 95.010 20.477 0.112 1.00 1.00 H new ATOM 1627 N VAL A 114 97.181 16.585 -3.227 1.00 1.00 N ATOM 1628 CA VAL A 114 97.055 15.909 -4.519 1.00 1.00 C ATOM 1629 C VAL A 114 96.137 14.689 -4.423 1.00 1.00 C ATOM 1630 O VAL A 114 96.534 13.580 -4.784 1.00 1.00 O ATOM 1631 CB VAL A 114 98.450 15.467 -4.976 1.00 1.00 C ATOM 1632 CG1 VAL A 114 98.440 15.150 -6.471 1.00 1.00 C ATOM 1633 CG2 VAL A 114 99.475 16.574 -4.678 1.00 1.00 C ATOM 0 H VAL A 114 97.863 16.166 -2.595 1.00 1.00 H new ATOM 0 HA VAL A 114 96.616 16.601 -5.237 1.00 1.00 H new ATOM 0 HB VAL A 114 98.731 14.567 -4.429 1.00 1.00 H new ATOM 0 HG11 VAL A 114 99.436 14.837 -6.783 1.00 1.00 H new ATOM 0 HG12 VAL A 114 97.729 14.347 -6.668 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.147 16.039 -7.029 1.00 1.00 H new ATOM 0 HG21 VAL A 114 100.464 16.252 -5.006 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.194 17.483 -5.210 1.00 1.00 H new ATOM 0 HG23 VAL A 114 99.495 16.773 -3.606 1.00 1.00 H new ATOM 1637 N GLY A 115 94.909 14.888 -3.946 1.00 1.00 N ATOM 1638 CA GLY A 115 93.970 13.776 -3.829 1.00 1.00 C ATOM 1639 C GLY A 115 92.682 14.184 -3.113 1.00 1.00 C ATOM 1640 O GLY A 115 92.482 15.355 -2.786 1.00 1.00 O ATOM 0 H GLY A 115 94.547 15.791 -3.640 1.00 1.00 H new ATOM 0 HA2 GLY A 115 93.728 13.400 -4.823 1.00 1.00 H new ATOM 0 HA3 GLY A 115 94.443 12.958 -3.285 1.00 1.00 H new ATOM 1644 N GLY A 116 91.813 13.197 -2.879 1.00 1.00 N ATOM 1645 CA GLY A 116 90.535 13.423 -2.204 1.00 1.00 C ATOM 1646 C GLY A 116 90.744 13.909 -0.768 1.00 1.00 C ATOM 1647 O GLY A 116 91.042 15.084 -0.556 1.00 1.00 O ATOM 0 H GLY A 116 91.975 12.227 -3.150 1.00 1.00 H new ATOM 0 HA2 GLY A 116 89.953 14.159 -2.759 1.00 1.00 H new ATOM 0 HA3 GLY A 116 89.956 12.499 -2.197 1.00 1.00 H new ATOM 1651 N PRO A 117 90.568 13.055 0.223 1.00 1.00 N ATOM 1652 CA PRO A 117 90.716 13.448 1.656 1.00 1.00 C ATOM 1653 C PRO A 117 92.136 13.908 1.938 1.00 1.00 C ATOM 1654 O PRO A 117 92.402 14.565 2.945 1.00 1.00 O ATOM 1655 CB PRO A 117 90.367 12.177 2.429 1.00 1.00 C ATOM 1656 CG PRO A 117 90.685 11.099 1.468 1.00 1.00 C ATOM 1657 CD PRO A 117 90.247 11.622 0.121 1.00 1.00 C ATOM 0 HA PRO A 117 90.076 14.283 1.939 1.00 1.00 H new ATOM 0 HB2 PRO A 117 90.954 12.088 3.343 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.317 12.159 2.721 1.00 1.00 H new ATOM 0 HG2 PRO A 117 91.751 10.870 1.473 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.160 10.178 1.722 1.00 1.00 H new ATOM 0 HD2 PRO A 117 90.785 11.142 -0.696 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.184 11.455 -0.055 1.00 1.00 H new ATOM 1665 N ILE A 118 93.042 13.582 1.021 1.00 1.00 N ATOM 1666 CA ILE A 118 94.420 14.000 1.174 1.00 1.00 C ATOM 1667 C ILE A 118 94.450 15.515 1.060 1.00 1.00 C ATOM 1668 O ILE A 118 94.128 16.070 0.011 1.00 1.00 O ATOM 1669 CB ILE A 118 95.322 13.411 0.074 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.159 11.882 -0.012 1.00 1.00 C ATOM 1671 CG2 ILE A 118 96.769 13.765 0.404 1.00 1.00 C ATOM 1672 CD1 ILE A 118 93.991 11.487 -0.936 1.00 1.00 C ATOM 0 H ILE A 118 92.846 13.039 0.180 1.00 1.00 H new ATOM 0 HA ILE A 118 94.792 13.650 2.137 1.00 1.00 H new ATOM 0 HB ILE A 118 95.039 13.829 -0.892 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.083 11.437 -0.382 1.00 1.00 H new ATOM 0 HG13 ILE A 118 94.988 11.477 0.985 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.427 13.357 -0.363 1.00 1.00 H new ATOM 0 HG22 ILE A 118 96.880 14.849 0.438 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.035 13.342 1.373 1.00 1.00 H new ATOM 0 HD11 ILE A 118 93.907 10.401 -0.972 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.063 11.910 -0.551 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.176 11.870 -1.940 1.00 1.00 H new ATOM 1679 N GLY A 119 94.816 16.178 2.146 1.00 1.00 N ATOM 1680 CA GLY A 119 94.864 17.638 2.174 1.00 1.00 C ATOM 1681 C GLY A 119 96.273 18.135 1.926 1.00 1.00 C ATOM 1682 O GLY A 119 97.082 17.436 1.353 1.00 1.00 O ATOM 0 H GLY A 119 95.085 15.731 3.022 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.192 18.043 1.417 1.00 1.00 H new ATOM 0 HA3 GLY A 119 94.511 17.999 3.140 1.00 1.00 H new ATOM 1686 N PRO A 120 96.590 19.324 2.336 1.00 1.00 N ATOM 1687 CA PRO A 120 97.963 19.872 2.149 1.00 1.00 C ATOM 1688 C PRO A 120 99.009 19.195 3.054 1.00 1.00 C ATOM 1689 O PRO A 120 98.718 18.818 4.189 1.00 1.00 O ATOM 1690 CB PRO A 120 97.810 21.353 2.505 1.00 1.00 C ATOM 1691 CG PRO A 120 96.635 21.402 3.425 1.00 1.00 C ATOM 1692 CD PRO A 120 95.692 20.291 2.991 1.00 1.00 C ATOM 0 HA PRO A 120 98.329 19.701 1.137 1.00 1.00 H new ATOM 0 HB2 PRO A 120 98.708 21.739 2.988 1.00 1.00 H new ATOM 0 HB3 PRO A 120 97.642 21.959 1.615 1.00 1.00 H new ATOM 0 HG2 PRO A 120 96.948 21.262 4.460 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.141 22.372 3.370 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.174 19.847 3.841 1.00 1.00 H new ATOM 0 HD3 PRO A 120 94.926 20.657 2.307 1.00 1.00 H new ATOM 1700 N ASN A 121 100.234 19.098 2.543 1.00 1.00 N ATOM 1701 CA ASN A 121 101.364 18.529 3.291 1.00 1.00 C ATOM 1702 C ASN A 121 100.979 17.308 4.129 1.00 1.00 C ATOM 1703 O ASN A 121 101.118 17.314 5.349 1.00 1.00 O ATOM 1704 CB ASN A 121 101.962 19.610 4.198 1.00 1.00 C ATOM 1705 CG ASN A 121 103.418 19.301 4.525 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.308 20.077 4.176 1.00 1.00 O ATOM 1707 ND2 ASN A 121 103.718 18.216 5.183 1.00 1.00 N ATOM 0 H ASN A 121 100.476 19.409 1.602 1.00 1.00 H new ATOM 0 HA ASN A 121 102.096 18.187 2.559 1.00 1.00 H new ATOM 0 HB2 ASN A 121 101.893 20.581 3.707 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.384 19.677 5.120 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.691 18.009 5.409 1.00 1.00 H new ATOM 0 HD22 ASN A 121 102.980 17.574 5.472 1.00 1.00 H new ATOM 1714 N GLU A 122 100.506 16.264 3.464 1.00 1.00 N ATOM 1715 CA GLU A 122 100.092 15.022 4.142 1.00 1.00 C ATOM 1716 C GLU A 122 101.023 13.881 3.781 1.00 1.00 C ATOM 1717 O GLU A 122 101.415 13.724 2.627 1.00 1.00 O ATOM 1718 CB GLU A 122 98.638 14.647 3.755 1.00 1.00 C ATOM 1719 CG GLU A 122 98.099 15.680 2.794 1.00 1.00 C ATOM 1720 CD GLU A 122 98.917 15.644 1.499 1.00 1.00 C ATOM 1721 OE1 GLU A 122 99.287 16.705 1.024 1.00 1.00 O ATOM 1722 OE2 GLU A 122 99.168 14.556 1.007 1.00 1.00 O ATOM 0 H GLU A 122 100.395 16.243 2.450 1.00 1.00 H new ATOM 0 HA GLU A 122 100.141 15.194 5.217 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.614 13.658 3.296 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.012 14.600 4.646 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.049 15.481 2.580 1.00 1.00 H new ATOM 0 HG3 GLU A 122 98.150 16.672 3.242 1.00 1.00 H new ATOM 1729 N THR A 123 101.326 13.063 4.779 1.00 1.00 N ATOM 1730 CA THR A 123 102.168 11.903 4.577 1.00 1.00 C ATOM 1731 C THR A 123 101.272 10.712 4.311 1.00 1.00 C ATOM 1732 O THR A 123 100.345 10.439 5.074 1.00 1.00 O ATOM 1733 CB THR A 123 103.006 11.645 5.826 1.00 1.00 C ATOM 1734 OG1 THR A 123 103.796 12.789 6.113 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.904 10.437 5.594 1.00 1.00 C ATOM 0 H THR A 123 100.998 13.186 5.737 1.00 1.00 H new ATOM 0 HA THR A 123 102.840 12.069 3.735 1.00 1.00 H new ATOM 0 HB THR A 123 102.349 11.445 6.672 1.00 1.00 H new ATOM 0 HG1 THR A 123 103.945 12.850 7.080 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.503 10.252 6.486 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.289 9.562 5.382 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.563 10.631 4.748 1.00 1.00 H new ATOM 1743 N LEU A 124 101.540 10.008 3.224 1.00 1.00 N ATOM 1744 CA LEU A 124 100.740 8.842 2.857 1.00 1.00 C ATOM 1745 C LEU A 124 101.558 7.574 3.075 1.00 1.00 C ATOM 1746 O LEU A 124 102.728 7.511 2.700 1.00 1.00 O ATOM 1747 CB LEU A 124 100.353 8.883 1.368 1.00 1.00 C ATOM 1748 CG LEU A 124 99.555 10.151 0.964 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.619 10.606 2.068 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.504 11.292 0.624 1.00 1.00 C ATOM 0 H LEU A 124 102.302 10.219 2.579 1.00 1.00 H new ATOM 0 HA LEU A 124 99.842 8.849 3.475 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.259 8.828 0.765 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.759 8.000 1.132 1.00 1.00 H new ATOM 0 HG LEU A 124 98.960 9.886 0.090 1.00 1.00 H new ATOM 0 HD11 LEU A 124 98.080 11.496 1.744 1.00 1.00 H new ATOM 0 HD12 LEU A 124 97.907 9.812 2.292 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.197 10.837 2.963 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.927 12.173 0.343 1.00 1.00 H new ATOM 0 HD22 LEU A 124 101.120 11.524 1.493 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.144 10.997 -0.207 1.00 1.00 H new ATOM 1762 N ILE A 125 100.927 6.555 3.657 1.00 1.00 N ATOM 1763 CA ILE A 125 101.579 5.278 3.894 1.00 1.00 C ATOM 1764 C ILE A 125 100.854 4.213 3.113 1.00 1.00 C ATOM 1765 O ILE A 125 99.640 4.273 2.965 1.00 1.00 O ATOM 1766 CB ILE A 125 101.532 4.919 5.387 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.776 3.397 5.575 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.160 5.286 5.952 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.918 3.030 7.041 1.00 1.00 C ATOM 0 H ILE A 125 99.958 6.595 3.973 1.00 1.00 H new ATOM 0 HA ILE A 125 102.620 5.345 3.579 1.00 1.00 H new ATOM 0 HB ILE A 125 102.309 5.473 5.914 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.948 2.839 5.138 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.677 3.103 5.037 1.00 1.00 H new ATOM 0 HG21 ILE A 125 100.123 5.033 7.011 1.00 1.00 H new ATOM 0 HG22 ILE A 125 99.990 6.356 5.829 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.387 4.732 5.419 1.00 1.00 H new ATOM 0 HD11 ILE A 125 102.088 1.957 7.133 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.762 3.569 7.471 1.00 1.00 H new ATOM 0 HD13 ILE A 125 101.006 3.300 7.574 1.00 1.00 H new ATOM 1776 N PHE A 126 101.594 3.219 2.647 1.00 1.00 N ATOM 1777 CA PHE A 126 100.975 2.126 1.917 1.00 1.00 C ATOM 1778 C PHE A 126 101.520 0.780 2.369 1.00 1.00 C ATOM 1779 O PHE A 126 102.688 0.665 2.740 1.00 1.00 O ATOM 1780 CB PHE A 126 101.236 2.284 0.426 1.00 1.00 C ATOM 1781 CG PHE A 126 101.099 3.737 0.055 1.00 1.00 C ATOM 1782 CD1 PHE A 126 99.898 4.230 -0.472 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.185 4.597 0.250 1.00 1.00 C ATOM 1784 CE1 PHE A 126 99.793 5.588 -0.804 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.071 5.947 -0.083 1.00 1.00 C ATOM 1786 CZ PHE A 126 100.880 6.438 -0.606 1.00 1.00 C ATOM 0 H PHE A 126 102.605 3.147 2.758 1.00 1.00 H new ATOM 0 HA PHE A 126 99.904 2.158 2.119 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.235 1.925 0.179 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.530 1.681 -0.146 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.058 3.568 -0.622 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.110 4.217 0.658 1.00 1.00 H new ATOM 0 HE1 PHE A 126 98.871 5.975 -1.213 1.00 1.00 H new ATOM 0 HE2 PHE A 126 102.909 6.612 0.066 1.00 1.00 H new ATOM 0 HZ PHE A 126 100.796 7.484 -0.860 1.00 1.00 H new ATOM 1796 N LYS A 127 100.678 -0.255 2.290 1.00 1.00 N ATOM 1797 CA LYS A 127 101.096 -1.593 2.638 1.00 1.00 C ATOM 1798 C LYS A 127 101.394 -2.258 1.328 1.00 1.00 C ATOM 1799 O LYS A 127 100.553 -2.242 0.447 1.00 1.00 O ATOM 1800 CB LYS A 127 99.986 -2.374 3.389 1.00 1.00 C ATOM 1801 CG LYS A 127 98.914 -1.432 3.929 1.00 1.00 C ATOM 1802 CD LYS A 127 99.519 -0.485 4.980 1.00 1.00 C ATOM 1803 CE LYS A 127 98.448 0.474 5.503 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.998 1.227 6.664 1.00 1.00 N ATOM 0 H LYS A 127 99.707 -0.180 1.987 1.00 1.00 H new ATOM 0 HA LYS A 127 101.954 -1.571 3.309 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.530 -3.100 2.716 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.427 -2.936 4.212 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.483 -0.853 3.112 1.00 1.00 H new ATOM 0 HG3 LYS A 127 98.103 -2.009 4.373 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.935 -1.063 5.805 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.341 0.080 4.541 1.00 1.00 H new ATOM 0 HE2 LYS A 127 98.144 1.164 4.716 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.559 -0.081 5.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.345 1.149 7.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 99.923 0.831 6.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.111 2.228 6.406 1.00 1.00 H new ATOM 1818 N ILE A 128 102.594 -2.792 1.159 1.00 1.00 N ATOM 1819 CA ILE A 128 102.930 -3.399 -0.131 1.00 1.00 C ATOM 1820 C ILE A 128 103.178 -4.892 -0.007 1.00 1.00 C ATOM 1821 O ILE A 128 104.087 -5.348 0.687 1.00 1.00 O ATOM 1822 CB ILE A 128 104.134 -2.674 -0.754 1.00 1.00 C ATOM 1823 CG1 ILE A 128 104.007 -1.165 -0.442 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.089 -2.879 -2.270 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.166 -0.367 -1.052 1.00 1.00 C ATOM 0 H ILE A 128 103.330 -2.821 1.865 1.00 1.00 H new ATOM 0 HA ILE A 128 102.074 -3.283 -0.796 1.00 1.00 H new ATOM 0 HB ILE A 128 105.070 -3.062 -0.353 1.00 1.00 H new ATOM 0 HG12 ILE A 128 103.061 -0.790 -0.832 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.989 -1.016 0.638 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.936 -2.371 -2.731 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.138 -3.944 -2.495 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.160 -2.467 -2.665 1.00 1.00 H new ATOM 0 HD11 ILE A 128 105.045 0.690 -0.814 1.00 1.00 H new ATOM 0 HD12 ILE A 128 106.110 -0.726 -0.642 1.00 1.00 H new ATOM 0 HD13 ILE A 128 105.167 -0.497 -2.134 1.00 1.00 H new ATOM 1832 N HIS A 129 102.331 -5.634 -0.714 1.00 1.00 N ATOM 1833 CA HIS A 129 102.382 -7.088 -0.753 1.00 1.00 C ATOM 1834 C HIS A 129 102.839 -7.517 -2.137 1.00 1.00 C ATOM 1835 O HIS A 129 102.244 -7.123 -3.136 1.00 1.00 O ATOM 1836 CB HIS A 129 100.987 -7.649 -0.468 1.00 1.00 C ATOM 1837 CG HIS A 129 100.979 -9.131 -0.703 1.00 1.00 C ATOM 1838 ND1 HIS A 129 99.921 -9.749 -1.343 1.00 1.00 N ATOM 1839 CD2 HIS A 129 101.905 -10.122 -0.452 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.224 -11.046 -1.467 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.420 -11.333 -0.949 1.00 1.00 N ATOM 0 H HIS A 129 101.583 -5.236 -1.281 1.00 1.00 H new ATOM 0 HA HIS A 129 103.077 -7.465 -0.002 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.701 -7.433 0.561 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.252 -7.165 -1.111 1.00 1.00 H new ATOM 0 HD1 HIS A 129 99.064 -9.298 -1.663 1.00 1.00 H new ATOM 0 HD2 HIS A 129 102.852 -9.983 0.048 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.577 -11.775 -1.932 1.00 1.00 H new ATOM 1849 N LEU A 130 103.924 -8.282 -2.206 1.00 1.00 N ATOM 1850 CA LEU A 130 104.458 -8.694 -3.504 1.00 1.00 C ATOM 1851 C LEU A 130 103.965 -10.087 -3.929 1.00 1.00 C ATOM 1852 O LEU A 130 104.314 -11.097 -3.320 1.00 1.00 O ATOM 1853 CB LEU A 130 105.997 -8.659 -3.443 1.00 1.00 C ATOM 1854 CG LEU A 130 106.576 -7.948 -4.673 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.101 -7.880 -4.575 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.189 -8.698 -5.951 1.00 1.00 C ATOM 0 H LEU A 130 104.443 -8.625 -1.398 1.00 1.00 H new ATOM 0 HA LEU A 130 104.095 -7.996 -4.258 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.318 -8.146 -2.536 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.386 -9.676 -3.388 1.00 1.00 H new ATOM 0 HG LEU A 130 106.168 -6.938 -4.708 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.500 -7.373 -5.454 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.384 -7.328 -3.678 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.508 -8.890 -4.523 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.606 -8.183 -6.816 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.582 -9.714 -5.910 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.103 -8.732 -6.038 1.00 1.00 H new ATOM 1868 N ILE A 131 103.156 -10.117 -4.991 1.00 1.00 N ATOM 1869 CA ILE A 131 102.611 -11.364 -5.522 1.00 1.00 C ATOM 1870 C ILE A 131 103.478 -11.906 -6.656 1.00 1.00 C ATOM 1871 O ILE A 131 103.842 -13.082 -6.652 1.00 1.00 O ATOM 1872 CB ILE A 131 101.180 -11.113 -6.021 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.271 -10.753 -4.828 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.640 -12.374 -6.681 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.358 -9.277 -4.495 1.00 1.00 C ATOM 0 H ILE A 131 102.864 -9.284 -5.502 1.00 1.00 H new ATOM 0 HA ILE A 131 102.600 -12.111 -4.728 1.00 1.00 H new ATOM 0 HB ILE A 131 101.194 -10.293 -6.739 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.239 -11.015 -5.062 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.560 -11.342 -3.957 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.625 -12.194 -7.034 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.275 -12.644 -7.525 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.633 -13.189 -5.957 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.706 -9.056 -3.650 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.386 -9.022 -4.237 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.045 -8.690 -5.359 1.00 1.00 H new ATOM 1882 N SER A 132 103.819 -11.049 -7.626 1.00 1.00 N ATOM 1883 CA SER A 132 104.655 -11.475 -8.755 1.00 1.00 C ATOM 1884 C SER A 132 105.576 -10.338 -9.202 1.00 1.00 C ATOM 1885 O SER A 132 105.313 -9.167 -8.934 1.00 1.00 O ATOM 1886 CB SER A 132 103.773 -11.911 -9.933 1.00 1.00 C ATOM 1887 OG SER A 132 103.483 -10.783 -10.743 1.00 1.00 O ATOM 0 H SER A 132 103.534 -10.070 -7.653 1.00 1.00 H new ATOM 0 HA SER A 132 105.265 -12.317 -8.428 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.283 -12.674 -10.521 1.00 1.00 H new ATOM 0 HB3 SER A 132 102.849 -12.356 -9.565 1.00 1.00 H new ATOM 0 HG SER A 132 102.921 -11.058 -11.497 1.00 1.00 H new ATOM 1893 N VAL A 133 106.678 -10.696 -9.868 1.00 1.00 N ATOM 1894 CA VAL A 133 107.656 -9.709 -10.334 1.00 1.00 C ATOM 1895 C VAL A 133 107.990 -9.924 -11.804 1.00 1.00 C ATOM 1896 O VAL A 133 108.193 -11.053 -12.248 1.00 1.00 O ATOM 1897 CB VAL A 133 108.941 -9.822 -9.518 1.00 1.00 C ATOM 1898 CG1 VAL A 133 109.919 -8.738 -9.976 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.600 -9.617 -8.054 1.00 1.00 C ATOM 0 H VAL A 133 106.915 -11.661 -10.096 1.00 1.00 H new ATOM 0 HA VAL A 133 107.217 -8.719 -10.208 1.00 1.00 H new ATOM 0 HB VAL A 133 109.397 -10.802 -9.658 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.840 -8.811 -9.398 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.143 -8.873 -11.034 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.472 -7.756 -9.823 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.507 -9.694 -7.455 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.158 -8.630 -7.918 1.00 1.00 H new ATOM 0 HG23 VAL A 133 107.889 -10.379 -7.736 1.00 1.00 H new ATOM 1903 N LYS A 134 108.072 -8.825 -12.542 1.00 1.00 N ATOM 1904 CA LYS A 134 108.411 -8.877 -13.950 1.00 1.00 C ATOM 1905 C LYS A 134 109.926 -8.806 -14.113 1.00 1.00 C ATOM 1906 O LYS A 134 110.686 -9.213 -13.236 1.00 1.00 O ATOM 1907 CB LYS A 134 107.797 -7.678 -14.651 1.00 1.00 C ATOM 1908 CG LYS A 134 107.541 -7.985 -16.143 1.00 1.00 C ATOM 1909 CD LYS A 134 106.158 -8.614 -16.308 1.00 1.00 C ATOM 1910 CE LYS A 134 106.061 -9.299 -17.674 1.00 1.00 C ATOM 1911 NZ LYS A 134 104.629 -9.553 -18.001 1.00 1.00 N ATOM 0 H LYS A 134 107.907 -7.885 -12.183 1.00 1.00 H new ATOM 0 HA LYS A 134 108.033 -9.805 -14.379 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.860 -7.408 -14.165 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.462 -6.819 -14.561 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.607 -7.069 -16.730 1.00 1.00 H new ATOM 0 HG3 LYS A 134 108.307 -8.662 -16.522 1.00 1.00 H new ATOM 0 HD2 LYS A 134 105.981 -9.339 -15.514 1.00 1.00 H new ATOM 0 HD3 LYS A 134 105.387 -7.849 -16.219 1.00 1.00 H new ATOM 0 HE2 LYS A 134 106.515 -8.671 -18.441 1.00 1.00 H new ATOM 0 HE3 LYS A 134 106.615 -10.238 -17.662 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 104.562 -10.018 -18.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 104.211 -10.168 -17.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 104.114 -8.650 -18.029 1.00 1.00 H new