USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 697 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 12 LYS NZ :NH3+ -127:sc= -0.017 (180deg=-0.28) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 132:sc= 1.19 (180deg=-0.216) USER MOD Set 1.3: A 27 SER OG : rot -70:sc= -0.147 USER MOD Set 1.4: A 32 ASN : amide:sc= 1.12 K(o=2.1,f=-12!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 7 LYS NZ :NH3+ -114:sc= 2.19 (180deg=-0.519) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.43! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.05! K(o=-3!,f=-0.26) USER MOD Single : A 20 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.89) USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= 1.13 (180deg=-1.14) USER MOD Single : A 23 THR OG1 : rot 28:sc= 0.889 USER MOD Single : A 28 SER OG : rot -16:sc= 0.828 USER MOD Single : A 29 ASN : amide:sc= -1.97! K(o=-2!,f=-0.044) USER MOD Single : A 45 TYR OH : rot 161:sc= 0.965 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 29:sc= -3.44! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -1:sc= 0.735 USER MOD Single : A 59 MET CE :methyl 157:sc= -0.185 (180deg=-1.17) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00434) USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.62) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.073) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 1.31 (180deg=0.384) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.18) USER MOD Single : A 90 GLN : amide:sc= -1.05 K(o=-1,f=-3!) USER MOD Single : A 91 THR OG1 : rot 107:sc= 0.945 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 0.905 (180deg=0.899) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 4 7.150 -7.227 9.453 1.00 0.00 N ATOM 44 CA GLY A 4 8.235 -6.365 9.852 1.00 0.00 C ATOM 45 C GLY A 4 7.921 -4.920 9.557 1.00 0.00 C ATOM 46 O GLY A 4 6.943 -4.625 8.862 1.00 0.00 O ATOM 0 HA2 GLY A 4 8.427 -6.488 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.146 -6.656 9.328 1.00 0.00 H new ATOM 50 N THR A 5 8.713 -4.019 10.106 1.00 0.00 N ATOM 51 CA THR A 5 8.492 -2.600 9.910 1.00 0.00 C ATOM 52 C THR A 5 9.462 -2.059 8.870 1.00 0.00 C ATOM 53 O THR A 5 10.664 -2.306 8.952 1.00 0.00 O ATOM 54 CB THR A 5 8.679 -1.829 11.230 1.00 0.00 C ATOM 55 OG1 THR A 5 9.983 -2.089 11.767 1.00 0.00 O ATOM 56 CG2 THR A 5 7.627 -2.235 12.247 1.00 0.00 C ATOM 0 H THR A 5 9.516 -4.245 10.692 1.00 0.00 H new ATOM 0 HA THR A 5 7.468 -2.462 9.563 1.00 0.00 H new ATOM 0 HB THR A 5 8.572 -0.765 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.096 -1.594 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.780 -1.677 13.171 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.635 -2.017 11.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.710 -3.303 12.450 1.00 0.00 H new ATOM 64 N TRP A 6 8.937 -1.363 7.873 1.00 0.00 N ATOM 65 CA TRP A 6 9.760 -0.797 6.811 1.00 0.00 C ATOM 66 C TRP A 6 9.373 0.661 6.615 1.00 0.00 C ATOM 67 O TRP A 6 8.371 0.947 5.961 1.00 0.00 O ATOM 68 CB TRP A 6 9.536 -1.542 5.477 1.00 0.00 C ATOM 69 CG TRP A 6 9.867 -3.018 5.472 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.624 -3.934 6.455 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.460 -3.752 4.392 1.00 0.00 C ATOM 72 NE1 TRP A 6 10.057 -5.177 6.065 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.570 -5.093 4.804 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.919 -3.404 3.120 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.115 -6.084 3.993 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.458 -4.389 2.313 1.00 0.00 C ATOM 77 CH2 TRP A 6 11.552 -5.714 2.753 1.00 0.00 C ATOM 0 H TRP A 6 7.939 -1.175 7.776 1.00 0.00 H new ATOM 0 HA TRP A 6 10.807 -0.892 7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.491 -1.424 5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.134 -1.054 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.158 -3.712 7.404 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.004 -6.026 6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.854 -2.383 2.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.190 -7.107 4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.813 -4.131 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.979 -6.460 2.099 1.00 0.00 H new ATOM 87 N LYS A 7 10.158 1.585 7.158 1.00 0.00 N ATOM 88 CA LYS A 7 9.842 2.999 7.030 1.00 0.00 C ATOM 89 C LYS A 7 11.008 3.879 7.476 1.00 0.00 C ATOM 90 O LYS A 7 12.009 3.381 7.991 1.00 0.00 O ATOM 91 CB LYS A 7 8.584 3.325 7.829 1.00 0.00 C ATOM 92 CG LYS A 7 7.770 4.480 7.271 1.00 0.00 C ATOM 93 CD LYS A 7 7.167 4.167 5.915 1.00 0.00 C ATOM 94 CE LYS A 7 6.122 5.204 5.521 1.00 0.00 C ATOM 95 NZ LYS A 7 4.870 5.092 6.323 1.00 0.00 N ATOM 0 H LYS A 7 11.008 1.382 7.685 1.00 0.00 H new ATOM 0 HA LYS A 7 9.660 3.211 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.953 2.437 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.870 3.559 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.972 4.729 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.406 5.361 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.955 4.137 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.710 3.178 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.541 6.202 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.883 5.090 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.086 4.804 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.999 4.381 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.650 6.013 6.754 1.00 0.00 H new ATOM 105 N VAL A 8 10.924 5.168 7.149 1.00 0.00 N ATOM 106 CA VAL A 8 12.009 6.112 7.402 1.00 0.00 C ATOM 107 C VAL A 8 11.653 7.144 8.479 1.00 0.00 C ATOM 108 O VAL A 8 10.833 8.031 8.245 1.00 0.00 O ATOM 109 CB VAL A 8 12.366 6.878 6.109 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.577 7.777 6.323 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.610 5.916 4.958 1.00 0.00 C ATOM 0 H VAL A 8 10.106 5.584 6.704 1.00 0.00 H new ATOM 0 HA VAL A 8 12.854 5.519 7.752 1.00 0.00 H new ATOM 0 HB VAL A 8 11.516 7.510 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.807 8.304 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.359 8.501 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.433 7.170 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.860 6.480 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.435 5.250 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.710 5.327 4.779 1.00 0.00 H new ATOM 121 N GLY A 9 12.437 7.155 9.550 1.00 0.00 N ATOM 122 CA GLY A 9 12.366 8.228 10.528 1.00 0.00 C ATOM 123 C GLY A 9 11.005 8.404 11.176 1.00 0.00 C ATOM 124 O GLY A 9 10.517 7.512 11.871 1.00 0.00 O ATOM 0 H GLY A 9 13.127 6.434 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.104 8.040 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.646 9.163 10.043 1.00 0.00 H new ATOM 128 N GLY A 10 10.483 9.621 11.069 1.00 0.00 N ATOM 129 CA GLY A 10 9.265 10.009 11.761 1.00 0.00 C ATOM 130 C GLY A 10 8.030 9.262 11.302 1.00 0.00 C ATOM 131 O GLY A 10 7.036 9.199 12.025 1.00 0.00 O ATOM 0 H GLY A 10 10.893 10.363 10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.399 9.846 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.104 11.078 11.620 1.00 0.00 H new ATOM 135 N LEU A 11 8.086 8.679 10.121 1.00 0.00 N ATOM 136 CA LEU A 11 6.966 7.900 9.621 1.00 0.00 C ATOM 137 C LEU A 11 7.256 6.415 9.771 1.00 0.00 C ATOM 138 O LEU A 11 8.414 6.005 9.854 1.00 0.00 O ATOM 139 CB LEU A 11 6.615 8.274 8.169 1.00 0.00 C ATOM 140 CG LEU A 11 7.776 8.759 7.289 1.00 0.00 C ATOM 141 CD1 LEU A 11 8.380 7.613 6.508 1.00 0.00 C ATOM 142 CD2 LEU A 11 7.304 9.853 6.345 1.00 0.00 C ATOM 0 H LEU A 11 8.888 8.728 9.492 1.00 0.00 H new ATOM 0 HA LEU A 11 6.087 8.137 10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.165 7.404 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.854 9.054 8.192 1.00 0.00 H new ATOM 0 HG LEU A 11 8.548 9.168 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.200 7.984 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.757 6.860 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.619 7.168 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.139 10.186 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.512 9.464 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.923 10.694 6.924 1.00 0.00 H new ATOM 153 N LYS A 12 6.196 5.642 9.974 1.00 0.00 N ATOM 154 CA LYS A 12 6.319 4.223 10.302 1.00 0.00 C ATOM 155 C LYS A 12 5.418 3.379 9.409 1.00 0.00 C ATOM 156 O LYS A 12 4.484 3.896 8.795 1.00 0.00 O ATOM 157 CB LYS A 12 5.981 3.988 11.777 1.00 0.00 C ATOM 158 CG LYS A 12 4.647 4.574 12.201 1.00 0.00 C ATOM 159 CD LYS A 12 4.412 4.419 13.694 1.00 0.00 C ATOM 160 CE LYS A 12 3.081 5.026 14.118 1.00 0.00 C ATOM 161 NZ LYS A 12 3.032 6.496 13.898 1.00 0.00 N ATOM 0 H LYS A 12 5.234 5.975 9.917 1.00 0.00 H new ATOM 0 HA LYS A 12 7.351 3.920 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.975 2.916 11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.769 4.420 12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.613 5.631 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.843 4.082 11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.431 3.362 13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.223 4.899 14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.274 4.551 13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.907 4.813 15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.754 6.970 14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.970 6.834 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.337 6.713 13.155 1.00 0.00 H new ATOM 171 N LEU A 13 5.792 2.120 9.236 1.00 0.00 N ATOM 172 CA LEU A 13 5.087 1.215 8.341 1.00 0.00 C ATOM 173 C LEU A 13 5.341 -0.218 8.779 1.00 0.00 C ATOM 174 O LEU A 13 6.461 -0.583 9.119 1.00 0.00 O ATOM 175 CB LEU A 13 5.563 1.424 6.896 1.00 0.00 C ATOM 176 CG LEU A 13 4.514 1.223 5.795 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.082 1.620 4.443 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.034 -0.217 5.753 1.00 0.00 C ATOM 0 H LEU A 13 6.590 1.698 9.711 1.00 0.00 H new ATOM 0 HA LEU A 13 4.017 1.421 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.959 2.436 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.391 0.741 6.707 1.00 0.00 H new ATOM 0 HG LEU A 13 3.661 1.862 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.325 1.471 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.376 2.669 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.953 1.004 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.291 -0.330 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.879 -0.876 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.587 -0.480 6.712 1.00 0.00 H new ATOM 189 N THR A 14 4.291 -1.013 8.819 1.00 0.00 N ATOM 190 CA THR A 14 4.385 -2.393 9.248 1.00 0.00 C ATOM 191 C THR A 14 3.452 -3.252 8.409 1.00 0.00 C ATOM 192 O THR A 14 2.282 -2.916 8.238 1.00 0.00 O ATOM 193 CB THR A 14 4.007 -2.534 10.737 1.00 0.00 C ATOM 194 OG1 THR A 14 4.684 -1.532 11.512 1.00 0.00 O ATOM 195 CG2 THR A 14 4.370 -3.916 11.265 1.00 0.00 C ATOM 0 H THR A 14 3.350 -0.721 8.555 1.00 0.00 H new ATOM 0 HA THR A 14 5.415 -2.724 9.117 1.00 0.00 H new ATOM 0 HB THR A 14 2.929 -2.401 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.438 -1.627 12.456 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.093 -3.988 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.834 -4.675 10.696 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.443 -4.075 11.161 1.00 0.00 H new ATOM 203 N ILE A 15 3.979 -4.321 7.840 1.00 0.00 N ATOM 204 CA ILE A 15 3.177 -5.204 7.012 1.00 0.00 C ATOM 205 C ILE A 15 3.095 -6.577 7.648 1.00 0.00 C ATOM 206 O ILE A 15 4.070 -7.331 7.652 1.00 0.00 O ATOM 207 CB ILE A 15 3.763 -5.343 5.598 1.00 0.00 C ATOM 208 CG1 ILE A 15 3.969 -3.960 4.968 1.00 0.00 C ATOM 209 CG2 ILE A 15 2.848 -6.200 4.729 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.555 -4.000 3.573 1.00 0.00 C ATOM 0 H ILE A 15 4.956 -4.598 7.935 1.00 0.00 H new ATOM 0 HA ILE A 15 2.183 -4.765 6.933 1.00 0.00 H new ATOM 0 HB ILE A 15 4.733 -5.836 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.011 -3.441 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.626 -3.374 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.275 -6.290 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.749 -7.191 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.866 -5.732 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.670 -2.983 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.529 -4.489 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.889 -4.557 2.914 1.00 0.00 H new ATOM 221 N THR A 16 1.954 -6.875 8.228 1.00 0.00 N ATOM 222 CA THR A 16 1.770 -8.126 8.932 1.00 0.00 C ATOM 223 C THR A 16 0.891 -9.076 8.116 1.00 0.00 C ATOM 224 O THR A 16 0.025 -8.625 7.362 1.00 0.00 O ATOM 225 CB THR A 16 1.129 -7.873 10.312 1.00 0.00 C ATOM 226 OG1 THR A 16 1.680 -6.680 10.889 1.00 0.00 O ATOM 227 CG2 THR A 16 1.373 -9.042 11.254 1.00 0.00 C ATOM 0 H THR A 16 1.136 -6.266 8.226 1.00 0.00 H new ATOM 0 HA THR A 16 2.747 -8.588 9.074 1.00 0.00 H new ATOM 0 HB THR A 16 0.054 -7.760 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.270 -6.521 11.765 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.910 -8.835 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.939 -9.948 10.830 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.445 -9.182 11.389 1.00 0.00 H new ATOM 235 N GLN A 17 1.128 -10.381 8.233 1.00 0.00 N ATOM 236 CA GLN A 17 0.329 -11.361 7.508 1.00 0.00 C ATOM 237 C GLN A 17 0.209 -12.664 8.282 1.00 0.00 C ATOM 238 O GLN A 17 1.206 -13.227 8.742 1.00 0.00 O ATOM 239 CB GLN A 17 0.894 -11.651 6.104 1.00 0.00 C ATOM 240 CG GLN A 17 2.318 -12.198 6.086 1.00 0.00 C ATOM 241 CD GLN A 17 3.388 -11.119 6.127 1.00 0.00 C ATOM 242 OE1 GLN A 17 4.571 -11.415 6.252 1.00 0.00 O ATOM 243 NE2 GLN A 17 2.988 -9.864 5.994 1.00 0.00 N ATOM 0 H GLN A 17 1.861 -10.780 8.819 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.661 -10.919 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.239 -12.366 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.866 -10.731 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.453 -12.863 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.455 -12.799 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.995 -9.653 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.673 -9.108 5.993 1.00 0.00 H new ATOM 250 N GLU A 18 -1.009 -13.172 8.348 1.00 0.00 N ATOM 251 CA GLU A 18 -1.270 -14.471 8.938 1.00 0.00 C ATOM 252 C GLU A 18 -1.616 -15.464 7.833 1.00 0.00 C ATOM 253 O GLU A 18 -2.733 -15.466 7.314 1.00 0.00 O ATOM 254 CB GLU A 18 -2.397 -14.377 9.970 1.00 0.00 C ATOM 255 CG GLU A 18 -3.610 -13.578 9.503 1.00 0.00 C ATOM 256 CD GLU A 18 -4.715 -13.547 10.539 1.00 0.00 C ATOM 257 OE1 GLU A 18 -4.553 -14.172 11.605 1.00 0.00 O ATOM 258 OE2 GLU A 18 -5.756 -12.910 10.292 1.00 0.00 O ATOM 0 H GLU A 18 -1.841 -12.698 7.996 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.378 -14.820 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.719 -15.385 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.004 -13.922 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.303 -12.558 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.994 -14.012 8.579 1.00 0.00 H new ATOM 263 N GLY A 19 -0.601 -16.167 7.349 1.00 0.00 N ATOM 264 CA GLY A 19 -0.781 -17.006 6.184 1.00 0.00 C ATOM 265 C GLY A 19 -0.893 -16.174 4.925 1.00 0.00 C ATOM 266 O GLY A 19 0.081 -15.553 4.498 1.00 0.00 O ATOM 0 H GLY A 19 0.340 -16.171 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.059 -17.695 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.679 -17.612 6.304 1.00 0.00 H new ATOM 270 N ASN A 20 -2.115 -15.988 4.457 1.00 0.00 N ATOM 271 CA ASN A 20 -2.368 -15.043 3.389 1.00 0.00 C ATOM 272 C ASN A 20 -3.407 -14.037 3.847 1.00 0.00 C ATOM 273 O ASN A 20 -4.610 -14.217 3.650 1.00 0.00 O ATOM 274 CB ASN A 20 -2.869 -15.774 2.140 1.00 0.00 C ATOM 275 CG ASN A 20 -1.754 -16.381 1.303 1.00 0.00 C ATOM 276 OD1 ASN A 20 -2.017 -17.098 0.340 1.00 0.00 O ATOM 277 ND2 ASN A 20 -0.508 -16.092 1.648 1.00 0.00 N ATOM 0 H ASN A 20 -2.942 -16.477 4.799 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.441 -14.526 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.556 -16.564 2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.436 -15.077 1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.271 -16.468 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.328 -15.493 2.454 1.00 0.00 H new ATOM 283 N LYS A 21 -2.906 -12.924 4.348 1.00 0.00 N ATOM 284 CA LYS A 21 -3.717 -11.783 4.737 1.00 0.00 C ATOM 285 C LYS A 21 -2.770 -10.647 5.063 1.00 0.00 C ATOM 286 O LYS A 21 -2.091 -10.691 6.084 1.00 0.00 O ATOM 287 CB LYS A 21 -4.585 -12.114 5.955 1.00 0.00 C ATOM 288 CG LYS A 21 -5.546 -11.002 6.346 1.00 0.00 C ATOM 289 CD LYS A 21 -6.304 -11.343 7.619 1.00 0.00 C ATOM 290 CE LYS A 21 -7.153 -12.595 7.456 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.279 -12.385 6.513 1.00 0.00 N ATOM 0 H LYS A 21 -1.907 -12.784 4.499 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.391 -11.508 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.156 -13.019 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.936 -12.335 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.992 -10.074 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.254 -10.829 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.596 -11.488 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.943 -10.505 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.528 -13.413 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.545 -12.896 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.177 -12.398 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.168 -11.466 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.282 -13.144 5.802 1.00 0.00 H new ATOM 301 N PHE A 22 -2.635 -9.693 4.170 1.00 0.00 N ATOM 302 CA PHE A 22 -1.642 -8.655 4.352 1.00 0.00 C ATOM 303 C PHE A 22 -2.279 -7.352 4.793 1.00 0.00 C ATOM 304 O PHE A 22 -3.279 -6.909 4.232 1.00 0.00 O ATOM 305 CB PHE A 22 -0.830 -8.446 3.071 1.00 0.00 C ATOM 306 CG PHE A 22 0.184 -9.529 2.803 1.00 0.00 C ATOM 307 CD1 PHE A 22 -0.200 -10.858 2.696 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.525 -9.213 2.652 1.00 0.00 C ATOM 309 CE1 PHE A 22 0.732 -11.847 2.445 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.462 -10.197 2.401 1.00 0.00 C ATOM 311 CZ PHE A 22 2.065 -11.516 2.298 1.00 0.00 C ATOM 0 H PHE A 22 -3.192 -9.613 3.319 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.965 -8.983 5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.515 -8.386 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.315 -7.487 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.241 -11.123 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.842 -8.184 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.419 -12.877 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.503 -9.935 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.796 -12.287 2.103 1.00 0.00 H new ATOM 320 N THR A 23 -1.674 -6.736 5.788 1.00 0.00 N ATOM 321 CA THR A 23 -2.133 -5.458 6.275 1.00 0.00 C ATOM 322 C THR A 23 -0.965 -4.479 6.320 1.00 0.00 C ATOM 323 O THR A 23 0.126 -4.823 6.776 1.00 0.00 O ATOM 324 CB THR A 23 -2.803 -5.581 7.668 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.386 -4.326 8.046 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.814 -6.029 8.738 1.00 0.00 C ATOM 0 H THR A 23 -0.858 -7.106 6.276 1.00 0.00 H new ATOM 0 HA THR A 23 -2.892 -5.082 5.588 1.00 0.00 H new ATOM 0 HB THR A 23 -3.580 -6.342 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.637 -3.826 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.325 -6.102 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.404 -7.003 8.470 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.005 -5.303 8.812 1.00 0.00 H new ATOM 334 N VAL A 24 -1.165 -3.296 5.753 1.00 0.00 N ATOM 335 CA VAL A 24 -0.117 -2.296 5.699 1.00 0.00 C ATOM 336 C VAL A 24 -0.427 -1.181 6.681 1.00 0.00 C ATOM 337 O VAL A 24 -1.556 -0.700 6.747 1.00 0.00 O ATOM 338 CB VAL A 24 0.039 -1.716 4.272 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.019 -0.553 4.247 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.481 -2.803 3.303 1.00 0.00 C ATOM 0 H VAL A 24 -2.045 -3.010 5.325 1.00 0.00 H new ATOM 0 HA VAL A 24 0.825 -2.774 5.970 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.934 -1.338 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.104 -0.171 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.660 0.239 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.996 -0.893 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.586 -2.379 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.438 -3.211 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.265 -3.598 3.283 1.00 0.00 H new ATOM 350 N LYS A 25 0.565 -0.802 7.461 1.00 0.00 N ATOM 351 CA LYS A 25 0.390 0.229 8.462 1.00 0.00 C ATOM 352 C LYS A 25 0.967 1.537 7.951 1.00 0.00 C ATOM 353 O LYS A 25 2.175 1.657 7.755 1.00 0.00 O ATOM 354 CB LYS A 25 1.094 -0.179 9.758 1.00 0.00 C ATOM 355 CG LYS A 25 1.141 0.920 10.803 1.00 0.00 C ATOM 356 CD LYS A 25 1.963 0.501 12.007 1.00 0.00 C ATOM 357 CE LYS A 25 2.011 1.597 13.055 1.00 0.00 C ATOM 358 NZ LYS A 25 0.663 1.928 13.578 1.00 0.00 N ATOM 0 H LYS A 25 1.505 -1.195 7.420 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.674 0.359 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.585 -1.046 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.113 -0.489 9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.567 1.823 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.128 1.167 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.537 -0.403 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.976 0.255 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.652 1.283 13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.462 2.491 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.691 1.955 14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.368 2.857 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.017 1.204 13.269 1.00 0.00 H new ATOM 368 N GLU A 26 0.095 2.488 7.679 1.00 0.00 N ATOM 369 CA GLU A 26 0.515 3.764 7.138 1.00 0.00 C ATOM 370 C GLU A 26 0.493 4.845 8.206 1.00 0.00 C ATOM 371 O GLU A 26 -0.356 4.840 9.103 1.00 0.00 O ATOM 372 CB GLU A 26 -0.366 4.165 5.959 1.00 0.00 C ATOM 373 CG GLU A 26 0.351 4.086 4.622 1.00 0.00 C ATOM 374 CD GLU A 26 1.496 5.076 4.515 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.471 4.970 5.291 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.428 5.971 3.646 1.00 0.00 O ATOM 0 H GLU A 26 -0.911 2.400 7.824 1.00 0.00 H new ATOM 0 HA GLU A 26 1.541 3.656 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.243 3.518 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.725 5.183 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.734 3.076 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.363 4.273 3.820 1.00 0.00 H new ATOM 381 N SER A 27 1.462 5.741 8.127 1.00 0.00 N ATOM 382 CA SER A 27 1.599 6.825 9.082 1.00 0.00 C ATOM 383 C SER A 27 2.349 7.983 8.438 1.00 0.00 C ATOM 384 O SER A 27 3.389 7.777 7.803 1.00 0.00 O ATOM 385 CB SER A 27 2.359 6.349 10.320 1.00 0.00 C ATOM 386 OG SER A 27 1.745 5.211 10.903 1.00 0.00 O ATOM 0 H SER A 27 2.176 5.737 7.398 1.00 0.00 H new ATOM 0 HA SER A 27 0.605 7.156 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.387 6.109 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.404 7.155 11.053 1.00 0.00 H new ATOM 0 HG SER A 27 0.890 5.471 11.306 1.00 0.00 H new ATOM 391 N SER A 28 1.815 9.187 8.590 1.00 0.00 N ATOM 392 CA SER A 28 2.427 10.385 8.027 1.00 0.00 C ATOM 393 C SER A 28 1.911 11.633 8.734 1.00 0.00 C ATOM 394 O SER A 28 0.719 11.919 8.695 1.00 0.00 O ATOM 395 CB SER A 28 2.128 10.494 6.524 1.00 0.00 C ATOM 396 OG SER A 28 2.629 9.376 5.806 1.00 0.00 O ATOM 0 H SER A 28 0.951 9.362 9.103 1.00 0.00 H new ATOM 0 HA SER A 28 3.505 10.308 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.051 10.571 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.572 11.408 6.130 1.00 0.00 H new ATOM 0 HG SER A 28 3.273 8.891 6.363 1.00 0.00 H new ATOM 401 N ASN A 29 2.833 12.403 9.308 1.00 0.00 N ATOM 402 CA ASN A 29 2.527 13.682 9.965 1.00 0.00 C ATOM 403 C ASN A 29 1.647 13.527 11.210 1.00 0.00 C ATOM 404 O ASN A 29 2.103 13.791 12.324 1.00 0.00 O ATOM 405 CB ASN A 29 1.877 14.664 8.981 1.00 0.00 C ATOM 406 CG ASN A 29 2.864 15.272 7.995 1.00 0.00 C ATOM 407 OD1 ASN A 29 2.470 15.965 7.057 1.00 0.00 O ATOM 408 ND2 ASN A 29 4.152 15.037 8.197 1.00 0.00 N ATOM 0 H ASN A 29 3.823 12.159 9.333 1.00 0.00 H new ATOM 0 HA ASN A 29 3.484 14.083 10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.093 14.147 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.396 15.465 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.848 15.435 7.566 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.448 14.459 8.983 1.00 0.00 H new ATOM 414 N PHE A 30 0.386 13.147 11.027 1.00 0.00 N ATOM 415 CA PHE A 30 -0.547 13.051 12.148 1.00 0.00 C ATOM 416 C PHE A 30 -1.777 12.210 11.787 1.00 0.00 C ATOM 417 O PHE A 30 -2.919 12.624 12.002 1.00 0.00 O ATOM 418 CB PHE A 30 -0.972 14.458 12.601 1.00 0.00 C ATOM 419 CG PHE A 30 -1.700 14.482 13.916 1.00 0.00 C ATOM 420 CD1 PHE A 30 -1.208 13.788 15.010 1.00 0.00 C ATOM 421 CD2 PHE A 30 -2.881 15.193 14.054 1.00 0.00 C ATOM 422 CE1 PHE A 30 -1.880 13.801 16.216 1.00 0.00 C ATOM 423 CE2 PHE A 30 -3.558 15.212 15.260 1.00 0.00 C ATOM 424 CZ PHE A 30 -3.056 14.513 16.341 1.00 0.00 C ATOM 0 H PHE A 30 -0.012 12.902 10.121 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.036 12.550 12.970 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.085 15.088 12.676 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.611 14.898 11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.288 13.230 14.918 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.277 15.739 13.210 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.486 13.255 17.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.477 15.772 15.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.583 14.524 17.283 1.00 0.00 H new ATOM 433 N ARG A 31 -1.539 10.977 11.368 1.00 0.00 N ATOM 434 CA ARG A 31 -2.624 10.025 11.144 1.00 0.00 C ATOM 435 C ARG A 31 -2.078 8.609 11.051 1.00 0.00 C ATOM 436 O ARG A 31 -0.963 8.389 10.572 1.00 0.00 O ATOM 437 CB ARG A 31 -3.445 10.358 9.888 1.00 0.00 C ATOM 438 CG ARG A 31 -2.662 10.311 8.586 1.00 0.00 C ATOM 439 CD ARG A 31 -2.116 11.682 8.213 1.00 0.00 C ATOM 440 NE ARG A 31 -3.178 12.673 8.021 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.080 12.629 7.036 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.970 11.725 6.072 1.00 0.00 N ATOM 443 NH2 ARG A 31 -5.070 13.511 6.996 1.00 0.00 N ATOM 0 H ARG A 31 -0.607 10.609 11.176 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.294 10.099 12.000 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.279 9.659 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.872 11.354 10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.838 9.604 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.306 9.945 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.439 12.026 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.530 11.600 7.298 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.232 13.447 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.196 11.061 6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.660 11.693 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.145 14.227 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.756 13.474 6.242 1.00 0.00 H new ATOM 454 N ASN A 32 -2.845 7.665 11.567 1.00 0.00 N ATOM 455 CA ASN A 32 -2.434 6.269 11.596 1.00 0.00 C ATOM 456 C ASN A 32 -3.564 5.379 11.094 1.00 0.00 C ATOM 457 O ASN A 32 -4.706 5.515 11.531 1.00 0.00 O ATOM 458 CB ASN A 32 -2.047 5.871 13.023 1.00 0.00 C ATOM 459 CG ASN A 32 -1.606 4.427 13.128 1.00 0.00 C ATOM 460 OD1 ASN A 32 -0.660 4.007 12.463 1.00 0.00 O ATOM 461 ND2 ASN A 32 -2.279 3.658 13.974 1.00 0.00 N ATOM 0 H ASN A 32 -3.763 7.840 11.975 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.570 6.140 10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.242 6.519 13.371 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.897 6.036 13.685 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.018 2.679 14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.058 4.046 14.507 1.00 0.00 H new ATOM 467 N ILE A 33 -3.268 4.542 10.110 1.00 0.00 N ATOM 468 CA ILE A 33 -4.299 3.722 9.486 1.00 0.00 C ATOM 469 C ILE A 33 -3.720 2.436 8.892 1.00 0.00 C ATOM 470 O ILE A 33 -2.623 2.436 8.332 1.00 0.00 O ATOM 471 CB ILE A 33 -5.036 4.520 8.384 1.00 0.00 C ATOM 472 CG1 ILE A 33 -6.116 3.661 7.723 1.00 0.00 C ATOM 473 CG2 ILE A 33 -4.049 5.046 7.346 1.00 0.00 C ATOM 474 CD1 ILE A 33 -6.961 4.415 6.728 1.00 0.00 C ATOM 0 H ILE A 33 -2.331 4.412 9.728 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.007 3.446 10.267 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.523 5.376 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.641 2.819 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.763 3.247 8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.589 5.604 6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.326 5.702 7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.526 4.209 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.705 3.743 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.464 5.241 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.325 4.807 5.934 1.00 0.00 H new ATOM 485 N ASP A 34 -4.465 1.341 9.024 1.00 0.00 N ATOM 486 CA ASP A 34 -4.052 0.061 8.456 1.00 0.00 C ATOM 487 C ASP A 34 -4.881 -0.257 7.222 1.00 0.00 C ATOM 488 O ASP A 34 -6.107 -0.126 7.239 1.00 0.00 O ATOM 489 CB ASP A 34 -4.216 -1.100 9.448 1.00 0.00 C ATOM 490 CG ASP A 34 -3.522 -0.878 10.779 1.00 0.00 C ATOM 491 OD1 ASP A 34 -3.968 -0.003 11.554 1.00 0.00 O ATOM 492 OD2 ASP A 34 -2.530 -1.575 11.064 1.00 0.00 O ATOM 0 H ASP A 34 -5.357 1.315 9.519 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.996 0.161 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.279 -1.264 9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.825 -2.010 8.994 1.00 0.00 H new ATOM 496 N VAL A 35 -4.240 -0.828 6.223 1.00 0.00 N ATOM 497 CA VAL A 35 -4.949 -1.347 5.069 1.00 0.00 C ATOM 498 C VAL A 35 -4.901 -2.866 5.114 1.00 0.00 C ATOM 499 O VAL A 35 -3.862 -3.436 5.418 1.00 0.00 O ATOM 500 CB VAL A 35 -4.341 -0.828 3.740 1.00 0.00 C ATOM 501 CG1 VAL A 35 -3.018 -1.487 3.423 1.00 0.00 C ATOM 502 CG2 VAL A 35 -5.324 -0.995 2.590 1.00 0.00 C ATOM 0 H VAL A 35 -3.227 -0.945 6.186 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.982 -1.000 5.105 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.144 0.236 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.631 -1.092 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.308 -1.281 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.160 -2.564 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.874 -0.624 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.571 -2.050 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.232 -0.431 2.803 1.00 0.00 H new ATOM 512 N VAL A 36 -6.036 -3.515 4.960 1.00 0.00 N ATOM 513 CA VAL A 36 -6.075 -4.967 5.052 1.00 0.00 C ATOM 514 C VAL A 36 -6.593 -5.574 3.754 1.00 0.00 C ATOM 515 O VAL A 36 -7.526 -5.047 3.142 1.00 0.00 O ATOM 516 CB VAL A 36 -6.932 -5.449 6.245 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.386 -5.022 6.092 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.820 -6.960 6.407 1.00 0.00 C ATOM 0 H VAL A 36 -6.935 -3.071 4.773 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.053 -5.306 5.221 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.546 -4.977 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.961 -5.377 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.443 -3.935 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.796 -5.449 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.430 -7.282 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.171 -7.450 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.780 -7.231 6.587 1.00 0.00 H new ATOM 528 N PHE A 37 -5.913 -6.610 3.283 1.00 0.00 N ATOM 529 CA PHE A 37 -6.248 -7.229 2.010 1.00 0.00 C ATOM 530 C PHE A 37 -5.667 -8.633 1.902 1.00 0.00 C ATOM 531 O PHE A 37 -4.549 -8.901 2.345 1.00 0.00 O ATOM 532 CB PHE A 37 -5.753 -6.361 0.847 1.00 0.00 C ATOM 533 CG PHE A 37 -4.343 -5.857 1.001 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.259 -6.642 0.643 1.00 0.00 C ATOM 535 CD2 PHE A 37 -4.106 -4.590 1.509 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.969 -6.171 0.786 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.820 -4.115 1.655 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.749 -4.906 1.293 1.00 0.00 C ATOM 0 H PHE A 37 -5.124 -7.040 3.766 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.334 -7.310 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.820 -6.938 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.421 -5.507 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.425 -7.633 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.940 -3.966 1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.132 -6.792 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.651 -3.125 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.741 -4.536 1.406 1.00 0.00 H new ATOM 547 N GLU A 38 -6.429 -9.518 1.293 1.00 0.00 N ATOM 548 CA GLU A 38 -5.977 -10.872 1.058 1.00 0.00 C ATOM 549 C GLU A 38 -5.595 -11.032 -0.405 1.00 0.00 C ATOM 550 O GLU A 38 -6.090 -10.300 -1.264 1.00 0.00 O ATOM 551 CB GLU A 38 -7.058 -11.871 1.458 1.00 0.00 C ATOM 552 CG GLU A 38 -7.383 -11.826 2.940 1.00 0.00 C ATOM 553 CD GLU A 38 -8.511 -12.755 3.324 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.632 -12.582 2.814 1.00 0.00 O ATOM 555 OE2 GLU A 38 -8.282 -13.655 4.160 1.00 0.00 O ATOM 0 H GLU A 38 -7.369 -9.321 0.950 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.099 -11.073 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.963 -11.668 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.733 -12.877 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.492 -12.090 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.649 -10.806 3.218 1.00 0.00 H new ATOM 560 N LEU A 39 -4.617 -11.884 -0.663 1.00 0.00 N ATOM 561 CA LEU A 39 -4.071 -12.035 -2.005 1.00 0.00 C ATOM 562 C LEU A 39 -5.138 -12.517 -2.982 1.00 0.00 C ATOM 563 O LEU A 39 -5.702 -13.602 -2.821 1.00 0.00 O ATOM 564 CB LEU A 39 -2.882 -13.013 -2.001 1.00 0.00 C ATOM 565 CG LEU A 39 -1.679 -12.616 -1.130 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.329 -11.148 -1.304 1.00 0.00 C ATOM 567 CD2 LEU A 39 -1.937 -12.929 0.334 1.00 0.00 C ATOM 0 H LEU A 39 -4.183 -12.483 0.039 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.722 -11.056 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.240 -13.987 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.536 -13.136 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.827 -13.208 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.474 -10.901 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.079 -10.955 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.182 -10.534 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.070 -12.638 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.812 -12.376 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.115 -13.998 0.452 1.00 0.00 H new ATOM 578 N GLY A 40 -5.392 -11.711 -4.007 1.00 0.00 N ATOM 579 CA GLY A 40 -6.370 -12.066 -5.017 1.00 0.00 C ATOM 580 C GLY A 40 -7.795 -11.849 -4.552 1.00 0.00 C ATOM 581 O GLY A 40 -8.692 -12.626 -4.891 1.00 0.00 O ATOM 0 H GLY A 40 -4.934 -10.812 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.191 -11.474 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.238 -13.112 -5.293 1.00 0.00 H new ATOM 585 N VAL A 41 -8.015 -10.775 -3.806 1.00 0.00 N ATOM 586 CA VAL A 41 -9.348 -10.440 -3.334 1.00 0.00 C ATOM 587 C VAL A 41 -9.722 -9.019 -3.750 1.00 0.00 C ATOM 588 O VAL A 41 -8.924 -8.091 -3.616 1.00 0.00 O ATOM 589 CB VAL A 41 -9.461 -10.580 -1.799 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.847 -10.188 -1.312 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.134 -12.003 -1.370 1.00 0.00 C ATOM 0 H VAL A 41 -7.287 -10.122 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.041 -11.145 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.739 -9.901 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.896 -10.297 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.048 -9.151 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.592 -10.835 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.218 -12.085 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.832 -12.695 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.117 -12.250 -1.675 1.00 0.00 H new ATOM 601 N ASP A 42 -10.931 -8.874 -4.269 1.00 0.00 N ATOM 602 CA ASP A 42 -11.455 -7.583 -4.701 1.00 0.00 C ATOM 603 C ASP A 42 -12.448 -7.082 -3.664 1.00 0.00 C ATOM 604 O ASP A 42 -13.260 -7.859 -3.161 1.00 0.00 O ATOM 605 CB ASP A 42 -12.135 -7.730 -6.068 1.00 0.00 C ATOM 606 CG ASP A 42 -12.649 -6.422 -6.648 1.00 0.00 C ATOM 607 OD1 ASP A 42 -13.566 -5.808 -6.058 1.00 0.00 O ATOM 608 OD2 ASP A 42 -12.160 -6.024 -7.727 1.00 0.00 O ATOM 0 H ASP A 42 -11.580 -9.649 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.641 -6.864 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.427 -8.173 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.968 -8.426 -5.975 1.00 0.00 H new ATOM 612 N PHE A 43 -12.294 -5.840 -3.239 1.00 0.00 N ATOM 613 CA PHE A 43 -13.083 -5.326 -2.129 1.00 0.00 C ATOM 614 C PHE A 43 -13.169 -3.808 -2.166 1.00 0.00 C ATOM 615 O PHE A 43 -12.301 -3.140 -2.731 1.00 0.00 O ATOM 616 CB PHE A 43 -12.460 -5.784 -0.806 1.00 0.00 C ATOM 617 CG PHE A 43 -11.010 -5.408 -0.672 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.638 -4.173 -0.161 1.00 0.00 C ATOM 619 CD2 PHE A 43 -10.019 -6.281 -1.087 1.00 0.00 C ATOM 620 CE1 PHE A 43 -9.308 -3.819 -0.068 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.689 -5.934 -0.994 1.00 0.00 C ATOM 622 CZ PHE A 43 -8.332 -4.702 -0.485 1.00 0.00 C ATOM 0 H PHE A 43 -11.636 -5.172 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 43 -14.096 -5.719 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.020 -5.348 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.557 -6.866 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.399 -3.481 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.292 -7.246 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.031 -2.854 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.926 -6.626 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.290 -4.429 -0.413 1.00 0.00 H new ATOM 631 N ALA A 44 -14.170 -3.273 -1.489 1.00 0.00 N ATOM 632 CA ALA A 44 -14.321 -1.835 -1.344 1.00 0.00 C ATOM 633 C ALA A 44 -13.892 -1.419 0.055 1.00 0.00 C ATOM 634 O ALA A 44 -14.169 -2.127 1.027 1.00 0.00 O ATOM 635 CB ALA A 44 -15.761 -1.424 -1.607 1.00 0.00 C ATOM 0 H ALA A 44 -14.897 -3.819 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.687 -1.332 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.858 -0.344 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -16.042 -1.710 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.418 -1.923 -0.895 1.00 0.00 H new ATOM 641 N TYR A 45 -13.137 -0.340 0.155 1.00 0.00 N ATOM 642 CA TYR A 45 -12.585 0.066 1.432 1.00 0.00 C ATOM 643 C TYR A 45 -12.502 1.583 1.528 1.00 0.00 C ATOM 644 O TYR A 45 -11.951 2.247 0.648 1.00 0.00 O ATOM 645 CB TYR A 45 -11.195 -0.564 1.612 1.00 0.00 C ATOM 646 CG TYR A 45 -10.567 -0.346 2.974 1.00 0.00 C ATOM 647 CD1 TYR A 45 -11.337 -0.338 4.130 1.00 0.00 C ATOM 648 CD2 TYR A 45 -9.197 -0.157 3.100 1.00 0.00 C ATOM 649 CE1 TYR A 45 -10.760 -0.144 5.369 1.00 0.00 C ATOM 650 CE2 TYR A 45 -8.612 0.036 4.335 1.00 0.00 C ATOM 651 CZ TYR A 45 -9.397 0.043 5.466 1.00 0.00 C ATOM 652 OH TYR A 45 -8.818 0.243 6.699 1.00 0.00 O ATOM 0 H TYR A 45 -12.894 0.267 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.242 -0.282 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.272 -1.636 1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.527 -0.159 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.404 -0.486 4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.578 -0.161 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.373 -0.139 6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.545 0.181 4.414 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.857 0.060 6.643 1.00 0.00 H new ATOM 661 N SER A 46 -12.980 2.112 2.641 1.00 0.00 N ATOM 662 CA SER A 46 -12.877 3.528 2.911 1.00 0.00 C ATOM 663 C SER A 46 -11.757 3.760 3.912 1.00 0.00 C ATOM 664 O SER A 46 -11.717 3.134 4.973 1.00 0.00 O ATOM 665 CB SER A 46 -14.203 4.071 3.458 1.00 0.00 C ATOM 666 OG SER A 46 -14.082 5.427 3.863 1.00 0.00 O ATOM 0 H SER A 46 -13.445 1.575 3.373 1.00 0.00 H new ATOM 0 HA SER A 46 -12.654 4.057 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.975 3.986 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.524 3.464 4.305 1.00 0.00 H new ATOM 0 HG SER A 46 -14.944 5.744 4.205 1.00 0.00 H new ATOM 671 N LEU A 47 -10.800 4.584 3.527 1.00 0.00 N ATOM 672 CA LEU A 47 -9.650 4.852 4.367 1.00 0.00 C ATOM 673 C LEU A 47 -9.721 6.263 4.927 1.00 0.00 C ATOM 674 O LEU A 47 -9.843 7.231 4.171 1.00 0.00 O ATOM 675 CB LEU A 47 -8.346 4.671 3.584 1.00 0.00 C ATOM 676 CG LEU A 47 -8.064 3.259 3.064 1.00 0.00 C ATOM 677 CD1 LEU A 47 -8.766 3.016 1.735 1.00 0.00 C ATOM 678 CD2 LEU A 47 -6.567 3.036 2.926 1.00 0.00 C ATOM 0 H LEU A 47 -10.798 5.080 2.636 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.663 4.139 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.358 5.354 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.517 4.973 4.224 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.458 2.545 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.549 2.006 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.842 3.132 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.410 3.737 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.382 2.028 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.154 3.762 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.090 3.158 3.898 1.00 0.00 H new ATOM 689 N ALA A 48 -9.665 6.359 6.255 1.00 0.00 N ATOM 690 CA ALA A 48 -9.707 7.636 6.967 1.00 0.00 C ATOM 691 C ALA A 48 -10.929 8.459 6.571 1.00 0.00 C ATOM 692 O ALA A 48 -10.875 9.692 6.548 1.00 0.00 O ATOM 693 CB ALA A 48 -8.425 8.423 6.727 1.00 0.00 C ATOM 0 H ALA A 48 -9.589 5.549 6.870 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.789 7.420 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.474 9.370 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.572 7.846 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.311 8.616 5.660 1.00 0.00 H new ATOM 699 N ASP A 49 -12.029 7.763 6.283 1.00 0.00 N ATOM 700 CA ASP A 49 -13.287 8.403 5.896 1.00 0.00 C ATOM 701 C ASP A 49 -13.074 9.380 4.746 1.00 0.00 C ATOM 702 O ASP A 49 -13.645 10.473 4.733 1.00 0.00 O ATOM 703 CB ASP A 49 -13.918 9.130 7.090 1.00 0.00 C ATOM 704 CG ASP A 49 -14.438 8.183 8.156 1.00 0.00 C ATOM 705 OD1 ASP A 49 -14.469 6.962 7.915 1.00 0.00 O ATOM 706 OD2 ASP A 49 -14.830 8.660 9.241 1.00 0.00 O ATOM 0 H ASP A 49 -12.074 6.744 6.311 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.967 7.619 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.179 9.797 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.738 9.754 6.736 1.00 0.00 H new ATOM 710 N GLY A 50 -12.232 8.999 3.796 1.00 0.00 N ATOM 711 CA GLY A 50 -11.941 9.872 2.681 1.00 0.00 C ATOM 712 C GLY A 50 -11.725 9.114 1.391 1.00 0.00 C ATOM 713 O GLY A 50 -12.575 9.148 0.502 1.00 0.00 O ATOM 0 H GLY A 50 -11.747 8.102 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.763 10.576 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.051 10.459 2.907 1.00 0.00 H new ATOM 717 N THR A 51 -10.622 8.387 1.298 1.00 0.00 N ATOM 718 CA THR A 51 -10.342 7.607 0.105 1.00 0.00 C ATOM 719 C THR A 51 -11.253 6.386 0.051 1.00 0.00 C ATOM 720 O THR A 51 -11.314 5.611 1.005 1.00 0.00 O ATOM 721 CB THR A 51 -8.867 7.153 0.051 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.620 6.169 1.053 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.924 8.325 0.264 1.00 0.00 C ATOM 0 H THR A 51 -9.913 8.322 2.028 1.00 0.00 H new ATOM 0 HA THR A 51 -10.531 8.247 -0.757 1.00 0.00 H new ATOM 0 HB THR A 51 -8.685 6.730 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.442 5.665 1.227 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.893 7.975 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.087 9.070 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.114 8.773 1.239 1.00 0.00 H new ATOM 731 N GLU A 52 -11.961 6.215 -1.055 1.00 0.00 N ATOM 732 CA GLU A 52 -12.873 5.097 -1.198 1.00 0.00 C ATOM 733 C GLU A 52 -12.434 4.244 -2.366 1.00 0.00 C ATOM 734 O GLU A 52 -12.710 4.564 -3.523 1.00 0.00 O ATOM 735 CB GLU A 52 -14.305 5.600 -1.403 1.00 0.00 C ATOM 736 CG GLU A 52 -14.780 6.530 -0.299 1.00 0.00 C ATOM 737 CD GLU A 52 -16.219 6.955 -0.469 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.546 7.576 -1.497 1.00 0.00 O ATOM 739 OE2 GLU A 52 -17.034 6.672 0.435 1.00 0.00 O ATOM 0 H GLU A 52 -11.920 6.836 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.856 4.495 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.366 6.121 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.978 4.745 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.665 6.032 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.145 7.415 -0.278 1.00 0.00 H new ATOM 744 N LEU A 53 -11.603 3.267 -2.063 1.00 0.00 N ATOM 745 CA LEU A 53 -11.002 2.431 -3.082 1.00 0.00 C ATOM 746 C LEU A 53 -11.676 1.067 -3.140 1.00 0.00 C ATOM 747 O LEU A 53 -11.674 0.318 -2.167 1.00 0.00 O ATOM 748 CB LEU A 53 -9.502 2.240 -2.817 1.00 0.00 C ATOM 749 CG LEU A 53 -8.586 3.376 -3.287 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.837 4.646 -2.495 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.127 2.966 -3.164 1.00 0.00 C ATOM 0 H LEU A 53 -11.327 3.031 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.138 2.937 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.357 2.103 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.182 1.318 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.813 3.576 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.173 5.434 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.873 4.958 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.645 4.460 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.490 3.783 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.900 2.735 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.944 2.085 -3.779 1.00 0.00 H new ATOM 762 N THR A 54 -12.157 0.720 -4.316 1.00 0.00 N ATOM 763 CA THR A 54 -12.698 -0.605 -4.564 1.00 0.00 C ATOM 764 C THR A 54 -11.784 -1.324 -5.544 1.00 0.00 C ATOM 765 O THR A 54 -11.624 -0.870 -6.672 1.00 0.00 O ATOM 766 CB THR A 54 -14.106 -0.513 -5.169 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.856 0.507 -4.494 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.839 -1.842 -5.063 1.00 0.00 C ATOM 0 H THR A 54 -12.185 1.342 -5.124 1.00 0.00 H new ATOM 0 HA THR A 54 -12.759 -1.148 -3.621 1.00 0.00 H new ATOM 0 HB THR A 54 -14.007 -0.261 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.754 0.565 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.833 -1.745 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.280 -2.609 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.930 -2.125 -4.014 1.00 0.00 H new ATOM 776 N GLY A 55 -11.073 -2.340 -5.091 1.00 0.00 N ATOM 777 CA GLY A 55 -10.085 -2.941 -5.956 1.00 0.00 C ATOM 778 C GLY A 55 -9.569 -4.273 -5.472 1.00 0.00 C ATOM 779 O GLY A 55 -9.753 -4.638 -4.311 1.00 0.00 O ATOM 0 H GLY A 55 -11.158 -2.752 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.517 -3.070 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.245 -2.255 -6.061 1.00 0.00 H new ATOM 783 N THR A 56 -8.888 -4.971 -6.365 1.00 0.00 N ATOM 784 CA THR A 56 -8.260 -6.243 -6.051 1.00 0.00 C ATOM 785 C THR A 56 -6.743 -6.070 -5.920 1.00 0.00 C ATOM 786 O THR A 56 -6.140 -5.236 -6.608 1.00 0.00 O ATOM 787 CB THR A 56 -8.580 -7.301 -7.130 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.961 -8.551 -6.807 1.00 0.00 O ATOM 789 CG2 THR A 56 -8.114 -6.845 -8.507 1.00 0.00 C ATOM 0 H THR A 56 -8.755 -4.671 -7.331 1.00 0.00 H new ATOM 0 HA THR A 56 -8.662 -6.591 -5.100 1.00 0.00 H new ATOM 0 HB THR A 56 -9.662 -7.428 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.175 -9.211 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.354 -7.611 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.618 -5.916 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.036 -6.681 -8.491 1.00 0.00 H new ATOM 797 N TRP A 57 -6.140 -6.814 -4.998 1.00 0.00 N ATOM 798 CA TRP A 57 -4.703 -6.727 -4.754 1.00 0.00 C ATOM 799 C TRP A 57 -4.061 -8.107 -4.864 1.00 0.00 C ATOM 800 O TRP A 57 -4.582 -9.084 -4.325 1.00 0.00 O ATOM 801 CB TRP A 57 -4.440 -6.156 -3.356 1.00 0.00 C ATOM 802 CG TRP A 57 -2.990 -5.874 -3.077 1.00 0.00 C ATOM 803 CD1 TRP A 57 -2.059 -6.760 -2.619 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.318 -4.616 -3.205 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.846 -6.136 -2.474 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.978 -4.819 -2.824 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.712 -3.338 -3.610 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -0.036 -3.794 -2.838 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.777 -2.322 -3.622 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.451 -2.555 -3.238 1.00 0.00 C ATOM 0 H TRP A 57 -6.626 -7.487 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.266 -6.068 -5.504 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.009 -5.234 -3.238 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.813 -6.859 -2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.249 -7.801 -2.402 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.015 -6.581 -2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.732 -3.148 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.988 -3.972 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.074 -1.331 -3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.257 -1.740 -3.258 1.00 0.00 H new ATOM 820 N THR A 58 -2.898 -8.176 -5.498 1.00 0.00 N ATOM 821 CA THR A 58 -2.161 -9.428 -5.591 1.00 0.00 C ATOM 822 C THR A 58 -0.678 -9.206 -5.328 1.00 0.00 C ATOM 823 O THR A 58 -0.045 -8.359 -5.964 1.00 0.00 O ATOM 824 CB THR A 58 -2.327 -10.090 -6.977 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.977 -9.163 -8.012 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.749 -10.580 -7.190 1.00 0.00 C ATOM 0 H THR A 58 -2.447 -7.383 -5.954 1.00 0.00 H new ATOM 0 HA THR A 58 -2.575 -10.092 -4.832 1.00 0.00 H new ATOM 0 HB THR A 58 -1.659 -10.950 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.723 -8.306 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.832 -11.040 -8.175 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.000 -11.314 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.438 -9.738 -7.124 1.00 0.00 H new ATOM 834 N MET A 59 -0.103 -10.034 -4.471 1.00 0.00 N ATOM 835 CA MET A 59 1.331 -10.003 -4.243 1.00 0.00 C ATOM 836 C MET A 59 1.944 -11.310 -4.696 1.00 0.00 C ATOM 837 O MET A 59 1.771 -12.349 -4.057 1.00 0.00 O ATOM 838 CB MET A 59 1.665 -9.756 -2.772 1.00 0.00 C ATOM 839 CG MET A 59 3.163 -9.698 -2.491 1.00 0.00 C ATOM 840 SD MET A 59 3.529 -9.349 -0.760 1.00 0.00 S ATOM 841 CE MET A 59 5.317 -9.240 -0.803 1.00 0.00 C ATOM 0 H MET A 59 -0.606 -10.733 -3.924 1.00 0.00 H new ATOM 0 HA MET A 59 1.746 -9.177 -4.821 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.207 -8.819 -2.456 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.220 -10.547 -2.169 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.619 -10.648 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.617 -8.930 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.666 -8.649 0.044 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.744 -10.241 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.630 -8.763 -1.732 1.00 0.00 H new ATOM 849 N GLU A 60 2.643 -11.257 -5.807 1.00 0.00 N ATOM 850 CA GLU A 60 3.284 -12.440 -6.349 1.00 0.00 C ATOM 851 C GLU A 60 4.772 -12.383 -6.060 1.00 0.00 C ATOM 852 O GLU A 60 5.477 -11.520 -6.581 1.00 0.00 O ATOM 853 CB GLU A 60 3.021 -12.533 -7.851 1.00 0.00 C ATOM 854 CG GLU A 60 1.541 -12.514 -8.189 1.00 0.00 C ATOM 855 CD GLU A 60 1.266 -12.500 -9.676 1.00 0.00 C ATOM 856 OE1 GLU A 60 2.230 -12.569 -10.473 1.00 0.00 O ATOM 857 OE2 GLU A 60 0.081 -12.419 -10.057 1.00 0.00 O ATOM 0 H GLU A 60 2.784 -10.409 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 60 2.871 -13.332 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.515 -11.702 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.466 -13.450 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.063 -13.388 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.083 -11.636 -7.734 1.00 0.00 H new ATOM 862 N GLY A 61 5.199 -13.176 -5.088 1.00 0.00 N ATOM 863 CA GLY A 61 6.556 -13.072 -4.602 1.00 0.00 C ATOM 864 C GLY A 61 6.765 -11.780 -3.841 1.00 0.00 C ATOM 865 O GLY A 61 5.992 -11.451 -2.943 1.00 0.00 O ATOM 0 H GLY A 61 4.630 -13.888 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.779 -13.920 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.251 -13.120 -5.441 1.00 0.00 H new ATOM 869 N ASN A 62 7.713 -10.985 -4.298 1.00 0.00 N ATOM 870 CA ASN A 62 7.944 -9.657 -3.745 1.00 0.00 C ATOM 871 C ASN A 62 7.492 -8.599 -4.739 1.00 0.00 C ATOM 872 O ASN A 62 8.188 -7.612 -4.981 1.00 0.00 O ATOM 873 CB ASN A 62 9.424 -9.459 -3.404 1.00 0.00 C ATOM 874 CG ASN A 62 9.836 -10.155 -2.120 1.00 0.00 C ATOM 875 OD1 ASN A 62 9.383 -9.800 -1.030 1.00 0.00 O ATOM 876 ND2 ASN A 62 10.701 -11.148 -2.235 1.00 0.00 N ATOM 0 H ASN A 62 8.344 -11.236 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 62 7.366 -9.559 -2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.034 -9.835 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.631 -8.393 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.016 -11.649 -1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.054 -11.413 -3.155 1.00 0.00 H new ATOM 882 N LYS A 63 6.328 -8.823 -5.330 1.00 0.00 N ATOM 883 CA LYS A 63 5.762 -7.902 -6.304 1.00 0.00 C ATOM 884 C LYS A 63 4.357 -7.517 -5.883 1.00 0.00 C ATOM 885 O LYS A 63 3.520 -8.377 -5.619 1.00 0.00 O ATOM 886 CB LYS A 63 5.723 -8.516 -7.714 1.00 0.00 C ATOM 887 CG LYS A 63 7.046 -8.461 -8.478 1.00 0.00 C ATOM 888 CD LYS A 63 8.107 -9.357 -7.859 1.00 0.00 C ATOM 889 CE LYS A 63 9.315 -9.522 -8.767 1.00 0.00 C ATOM 890 NZ LYS A 63 9.999 -8.233 -9.056 1.00 0.00 N ATOM 0 H LYS A 63 5.751 -9.645 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 63 6.401 -7.019 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.411 -9.557 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.961 -8.000 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.878 -8.761 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.409 -7.433 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.425 -8.936 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.676 -10.336 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.023 -10.207 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.999 -9.979 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.834 -8.409 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.345 -7.597 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.297 -7.790 -8.163 1.00 0.00 H new ATOM 900 N LEU A 64 4.137 -6.228 -5.761 1.00 0.00 N ATOM 901 CA LEU A 64 2.867 -5.695 -5.310 1.00 0.00 C ATOM 902 C LEU A 64 2.161 -4.989 -6.457 1.00 0.00 C ATOM 903 O LEU A 64 2.597 -3.927 -6.900 1.00 0.00 O ATOM 904 CB LEU A 64 3.125 -4.727 -4.156 1.00 0.00 C ATOM 905 CG LEU A 64 3.710 -5.376 -2.900 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.295 -4.318 -1.978 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.646 -6.180 -2.172 1.00 0.00 C ATOM 0 H LEU A 64 4.835 -5.515 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 64 2.223 -6.504 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.807 -3.948 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.187 -4.237 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 64 4.509 -6.053 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.707 -4.797 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.086 -3.778 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.512 -3.619 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.079 -6.635 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.827 -5.521 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.267 -6.962 -2.830 1.00 0.00 H new ATOM 918 N VAL A 65 1.128 -5.624 -6.993 1.00 0.00 N ATOM 919 CA VAL A 65 0.419 -5.094 -8.150 1.00 0.00 C ATOM 920 C VAL A 65 -1.081 -5.337 -8.011 1.00 0.00 C ATOM 921 O VAL A 65 -1.501 -6.408 -7.565 1.00 0.00 O ATOM 922 CB VAL A 65 0.906 -5.745 -9.474 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.270 -5.065 -10.677 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.424 -5.712 -9.587 1.00 0.00 C ATOM 0 H VAL A 65 0.761 -6.509 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 65 0.627 -4.025 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 65 0.594 -6.789 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.626 -5.538 -11.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.814 -5.160 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.542 -4.010 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.729 -6.176 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.768 -4.678 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.863 -6.259 -8.752 1.00 0.00 H new ATOM 934 N GLY A 66 -1.877 -4.362 -8.420 1.00 0.00 N ATOM 935 CA GLY A 66 -3.315 -4.521 -8.407 1.00 0.00 C ATOM 936 C GLY A 66 -4.003 -3.371 -9.104 1.00 0.00 C ATOM 937 O GLY A 66 -3.404 -2.713 -9.957 1.00 0.00 O ATOM 0 H GLY A 66 -1.550 -3.458 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.583 -5.458 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.666 -4.587 -7.377 1.00 0.00 H new ATOM 941 N LYS A 67 -5.211 -3.061 -8.666 1.00 0.00 N ATOM 942 CA LYS A 67 -5.953 -1.921 -9.184 1.00 0.00 C ATOM 943 C LYS A 67 -7.095 -1.587 -8.243 1.00 0.00 C ATOM 944 O LYS A 67 -7.920 -2.443 -7.936 1.00 0.00 O ATOM 945 CB LYS A 67 -6.510 -2.200 -10.585 1.00 0.00 C ATOM 946 CG LYS A 67 -7.321 -1.041 -11.151 1.00 0.00 C ATOM 947 CD LYS A 67 -7.912 -1.360 -12.517 1.00 0.00 C ATOM 948 CE LYS A 67 -6.834 -1.549 -13.573 1.00 0.00 C ATOM 949 NZ LYS A 67 -5.936 -0.369 -13.675 1.00 0.00 N ATOM 0 H LYS A 67 -5.704 -3.588 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.266 -1.077 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.683 -2.420 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.138 -3.090 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.126 -0.792 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.684 -0.160 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.516 -2.265 -12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.580 -0.554 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.244 -2.433 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.303 -1.732 -14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.622 -0.256 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.449 0.484 -13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.108 -0.509 -13.062 1.00 0.00 H new ATOM 959 N PHE A 68 -7.137 -0.346 -7.788 1.00 0.00 N ATOM 960 CA PHE A 68 -8.188 0.101 -6.891 1.00 0.00 C ATOM 961 C PHE A 68 -8.906 1.296 -7.479 1.00 0.00 C ATOM 962 O PHE A 68 -8.306 2.123 -8.166 1.00 0.00 O ATOM 963 CB PHE A 68 -7.631 0.449 -5.507 1.00 0.00 C ATOM 964 CG PHE A 68 -7.262 -0.746 -4.677 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.281 -1.628 -5.096 1.00 0.00 C ATOM 966 CD2 PHE A 68 -7.910 -0.994 -3.478 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.954 -2.733 -4.337 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.585 -2.096 -2.714 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.606 -2.967 -3.144 1.00 0.00 C ATOM 0 H PHE A 68 -6.453 0.372 -8.026 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.896 -0.719 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.750 1.079 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.372 1.039 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.765 -1.449 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.679 -0.317 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.188 -3.414 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.097 -2.276 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.350 -3.831 -2.548 1.00 0.00 H new ATOM 978 N LYS A 69 -10.205 1.329 -7.281 1.00 0.00 N ATOM 979 CA LYS A 69 -11.036 2.354 -7.866 1.00 0.00 C ATOM 980 C LYS A 69 -11.407 3.388 -6.818 1.00 0.00 C ATOM 981 O LYS A 69 -12.205 3.131 -5.920 1.00 0.00 O ATOM 982 CB LYS A 69 -12.286 1.711 -8.475 1.00 0.00 C ATOM 983 CG LYS A 69 -13.294 2.697 -9.045 1.00 0.00 C ATOM 984 CD LYS A 69 -14.331 1.992 -9.905 1.00 0.00 C ATOM 985 CE LYS A 69 -13.699 1.378 -11.147 1.00 0.00 C ATOM 986 NZ LYS A 69 -14.661 0.534 -11.904 1.00 0.00 N ATOM 0 H LYS A 69 -10.711 0.650 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.486 2.863 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.978 1.029 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.778 1.110 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.791 3.224 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.775 3.448 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.821 1.213 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.104 2.702 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.327 2.172 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.839 0.775 -10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.190 0.136 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.998 -0.239 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.470 1.114 -12.205 1.00 0.00 H new ATOM 996 N ARG A 70 -10.793 4.549 -6.942 1.00 0.00 N ATOM 997 CA ARG A 70 -11.026 5.662 -6.036 1.00 0.00 C ATOM 998 C ARG A 70 -12.226 6.464 -6.515 1.00 0.00 C ATOM 999 O ARG A 70 -12.074 7.507 -7.147 1.00 0.00 O ATOM 1000 CB ARG A 70 -9.773 6.536 -5.979 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.916 7.795 -5.141 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.278 7.510 -3.698 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.388 8.741 -2.912 1.00 0.00 N ATOM 1004 CZ ARG A 70 -9.358 9.529 -2.585 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -8.127 9.248 -2.994 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -9.578 10.616 -1.862 1.00 0.00 N ATOM 0 H ARG A 70 -10.115 4.750 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.238 5.291 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.950 5.942 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.499 6.821 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.980 8.353 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.682 8.433 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.223 6.969 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.522 6.862 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.316 9.017 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.956 8.421 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.352 9.859 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.525 10.845 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.800 11.225 -1.606 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.412 5.921 -6.295 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.642 6.532 -6.790 1.00 0.00 C ATOM 1019 C VAL A 71 -14.849 7.922 -6.201 1.00 0.00 C ATOM 1020 O VAL A 71 -15.333 8.829 -6.876 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.874 5.651 -6.497 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -15.884 4.434 -7.406 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -15.901 5.219 -5.037 1.00 0.00 C ATOM 0 H VAL A 71 -13.553 5.055 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.533 6.623 -7.871 1.00 0.00 H new ATOM 0 HB VAL A 71 -16.767 6.244 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.760 3.823 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.919 4.757 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.981 3.847 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.779 4.599 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.001 4.648 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.942 6.101 -4.397 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.446 8.077 -4.950 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.547 9.350 -4.248 1.00 0.00 C ATOM 1035 C ASP A 72 -13.822 10.468 -4.996 1.00 0.00 C ATOM 1036 O ASP A 72 -14.313 11.595 -5.081 1.00 0.00 O ATOM 1037 CB ASP A 72 -13.964 9.202 -2.839 1.00 0.00 C ATOM 1038 CG ASP A 72 -13.469 10.512 -2.257 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -14.287 11.420 -2.018 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -12.249 10.639 -2.051 1.00 0.00 O ATOM 0 H ASP A 72 -14.040 7.326 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.601 9.622 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.725 8.784 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.140 8.490 -2.867 1.00 0.00 H new ATOM 1044 N ASN A 73 -12.629 10.170 -5.488 1.00 0.00 N ATOM 1045 CA ASN A 73 -11.803 11.186 -6.131 1.00 0.00 C ATOM 1046 C ASN A 73 -11.976 11.173 -7.645 1.00 0.00 C ATOM 1047 O ASN A 73 -12.097 12.228 -8.264 1.00 0.00 O ATOM 1048 CB ASN A 73 -10.330 10.988 -5.775 1.00 0.00 C ATOM 1049 CG ASN A 73 -9.477 12.222 -6.022 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -8.249 12.147 -5.999 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -10.107 13.371 -6.223 1.00 0.00 N ATOM 0 H ASN A 73 -12.211 9.240 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.133 12.156 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.253 10.706 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.932 10.158 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.572 14.228 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.127 13.398 -6.236 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.977 9.989 -8.245 1.00 0.00 N ATOM 1058 CA GLY A 74 -12.098 9.907 -9.686 1.00 0.00 C ATOM 1059 C GLY A 74 -12.511 8.533 -10.173 1.00 0.00 C ATOM 1060 O GLY A 74 -13.671 8.332 -10.538 1.00 0.00 O ATOM 0 H GLY A 74 -11.897 9.093 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.829 10.641 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.144 10.175 -10.140 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.573 7.584 -10.200 1.00 0.00 N ATOM 1065 CA LYS A 75 -11.885 6.246 -10.699 1.00 0.00 C ATOM 1066 C LYS A 75 -10.791 5.222 -10.396 1.00 0.00 C ATOM 1067 O LYS A 75 -11.063 4.032 -10.369 1.00 0.00 O ATOM 1068 CB LYS A 75 -12.146 6.284 -12.209 1.00 0.00 C ATOM 1069 CG LYS A 75 -10.890 6.294 -13.071 1.00 0.00 C ATOM 1070 CD LYS A 75 -11.221 6.577 -14.528 1.00 0.00 C ATOM 1071 CE LYS A 75 -10.071 6.208 -15.453 1.00 0.00 C ATOM 1072 NZ LYS A 75 -9.995 4.742 -15.694 1.00 0.00 N ATOM 0 H LYS A 75 -10.610 7.713 -9.889 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.784 5.926 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.751 5.419 -12.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.736 7.171 -12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.198 7.050 -12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.384 5.332 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.111 6.016 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.458 7.634 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.191 6.726 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.132 6.553 -15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.521 4.564 -16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.455 4.292 -14.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.956 4.344 -15.721 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.543 5.654 -10.250 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.452 4.706 -10.056 1.00 0.00 C ATOM 1084 C GLU A 76 -7.345 5.297 -9.220 1.00 0.00 C ATOM 1085 O GLU A 76 -6.599 6.147 -9.688 1.00 0.00 O ATOM 1086 CB GLU A 76 -7.863 4.252 -11.396 1.00 0.00 C ATOM 1087 CG GLU A 76 -8.674 3.179 -12.103 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.012 2.696 -13.375 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -6.890 2.150 -13.305 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.617 2.851 -14.455 1.00 0.00 O ATOM 0 H GLU A 76 -9.265 6.635 -10.262 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.878 3.848 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.776 5.117 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.854 3.876 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.819 2.334 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.663 3.572 -12.339 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.115 4.685 -8.084 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.965 4.998 -7.272 1.00 0.00 C ATOM 1097 C LEU A 77 -5.244 3.702 -6.941 1.00 0.00 C ATOM 1098 O LEU A 77 -5.791 2.835 -6.266 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.392 5.737 -6.005 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.254 6.118 -5.052 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.267 7.052 -5.735 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.808 6.759 -3.787 1.00 0.00 C ATOM 0 H LEU A 77 -7.718 3.958 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.288 5.657 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.920 6.645 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.104 5.114 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.724 5.207 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.468 7.309 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.842 6.557 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.782 7.960 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.985 7.023 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.365 7.658 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.470 6.055 -3.283 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.131 3.491 -7.614 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.448 2.210 -7.583 1.00 0.00 C ATOM 1115 C ILE A 78 -2.088 2.337 -6.908 1.00 0.00 C ATOM 1116 O ILE A 78 -1.408 3.346 -7.063 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.251 1.681 -9.019 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.545 1.840 -9.824 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.817 0.224 -8.998 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.351 1.698 -11.316 1.00 0.00 C ATOM 0 H ILE A 78 -3.676 4.196 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.063 1.513 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.466 2.266 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.266 1.095 -9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.976 2.819 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.683 -0.131 -10.020 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.876 0.133 -8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.580 -0.376 -8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.309 1.822 -11.821 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.654 2.460 -11.666 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.949 0.709 -11.538 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.649 1.274 -6.258 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.310 1.229 -5.698 1.00 0.00 C ATOM 1133 C ALA A 79 0.409 0.004 -6.240 1.00 0.00 C ATOM 1134 O ALA A 79 -0.090 -1.116 -6.123 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.362 1.196 -4.176 1.00 0.00 C ATOM 0 H ALA A 79 -2.201 0.430 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 79 0.235 2.127 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.652 1.162 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.866 2.090 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.909 0.312 -3.850 1.00 0.00 H new ATOM 1141 N VAL A 80 1.512 0.227 -6.935 1.00 0.00 N ATOM 1142 CA VAL A 80 2.239 -0.859 -7.580 1.00 0.00 C ATOM 1143 C VAL A 80 3.735 -0.706 -7.350 1.00 0.00 C ATOM 1144 O VAL A 80 4.324 0.319 -7.708 1.00 0.00 O ATOM 1145 CB VAL A 80 1.972 -0.899 -9.107 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.818 -1.968 -9.781 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.498 -1.138 -9.396 1.00 0.00 C ATOM 0 H VAL A 80 1.925 1.150 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 80 1.885 -1.789 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 80 2.252 0.072 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.611 -1.975 -10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.874 -1.753 -9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.576 -2.943 -9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.338 -1.162 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.192 -2.090 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.094 -0.334 -8.959 1.00 0.00 H new ATOM 1157 N ARG A 81 4.359 -1.738 -6.794 1.00 0.00 N ATOM 1158 CA ARG A 81 5.794 -1.717 -6.579 1.00 0.00 C ATOM 1159 C ARG A 81 6.334 -3.102 -6.257 1.00 0.00 C ATOM 1160 O ARG A 81 5.632 -3.941 -5.703 1.00 0.00 O ATOM 1161 CB ARG A 81 6.167 -0.752 -5.455 1.00 0.00 C ATOM 1162 CG ARG A 81 7.608 -0.288 -5.540 1.00 0.00 C ATOM 1163 CD ARG A 81 7.810 0.672 -6.698 1.00 0.00 C ATOM 1164 NE ARG A 81 9.216 0.772 -7.087 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.650 1.436 -8.156 1.00 0.00 C ATOM 1166 NH1 ARG A 81 8.792 2.083 -8.938 1.00 0.00 N ATOM 1167 NH2 ARG A 81 10.946 1.462 -8.441 1.00 0.00 N ATOM 0 H ARG A 81 3.894 -2.593 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 81 6.248 -1.376 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.507 0.115 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.002 -1.238 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.891 0.199 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.264 -1.150 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.220 0.339 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.440 1.659 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 81 9.908 0.303 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.796 2.072 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.130 2.590 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.610 0.973 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.278 1.971 -9.260 1.00 0.00 H new ATOM 1178 N GLU A 82 7.603 -3.308 -6.554 1.00 0.00 N ATOM 1179 CA GLU A 82 8.279 -4.547 -6.224 1.00 0.00 C ATOM 1180 C GLU A 82 9.288 -4.292 -5.111 1.00 0.00 C ATOM 1181 O GLU A 82 9.617 -3.141 -4.825 1.00 0.00 O ATOM 1182 CB GLU A 82 8.948 -5.127 -7.475 1.00 0.00 C ATOM 1183 CG GLU A 82 9.624 -4.087 -8.357 1.00 0.00 C ATOM 1184 CD GLU A 82 11.033 -3.744 -7.921 1.00 0.00 C ATOM 1185 OE1 GLU A 82 11.609 -4.479 -7.099 1.00 0.00 O ATOM 1186 OE2 GLU A 82 11.587 -2.753 -8.436 1.00 0.00 O ATOM 0 H GLU A 82 8.192 -2.624 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 82 7.557 -5.282 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.689 -5.865 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.198 -5.655 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.650 -4.455 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.022 -3.178 -8.359 1.00 0.00 H new ATOM 1191 N ILE A 83 9.737 -5.348 -4.459 1.00 0.00 N ATOM 1192 CA ILE A 83 10.663 -5.207 -3.344 1.00 0.00 C ATOM 1193 C ILE A 83 12.077 -5.522 -3.819 1.00 0.00 C ATOM 1194 O ILE A 83 12.327 -6.597 -4.364 1.00 0.00 O ATOM 1195 CB ILE A 83 10.328 -6.185 -2.196 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.822 -6.231 -1.923 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.087 -5.798 -0.935 1.00 0.00 C ATOM 1198 CD1 ILE A 83 8.215 -4.887 -1.608 1.00 0.00 C ATOM 0 H ILE A 83 9.479 -6.310 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 83 10.581 -4.183 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 83 10.640 -7.183 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.318 -6.651 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.635 -6.907 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.842 -6.495 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.159 -5.832 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.805 -4.788 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.146 -5.004 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.690 -4.472 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.369 -4.212 -2.450 1.00 0.00 H new ATOM 1209 N SER A 84 12.996 -4.600 -3.610 1.00 0.00 N ATOM 1210 CA SER A 84 14.378 -4.810 -4.009 1.00 0.00 C ATOM 1211 C SER A 84 15.272 -4.865 -2.774 1.00 0.00 C ATOM 1212 O SER A 84 15.163 -4.009 -1.897 1.00 0.00 O ATOM 1213 CB SER A 84 14.826 -3.688 -4.949 1.00 0.00 C ATOM 1214 OG SER A 84 16.026 -4.030 -5.622 1.00 0.00 O ATOM 0 H SER A 84 12.814 -3.699 -3.167 1.00 0.00 H new ATOM 0 HA SER A 84 14.459 -5.759 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.042 -3.487 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.974 -2.771 -4.379 1.00 0.00 H new ATOM 0 HG SER A 84 16.288 -3.296 -6.217 1.00 0.00 H new ATOM 1219 N GLY A 85 16.087 -5.920 -2.666 1.00 0.00 N ATOM 1220 CA GLY A 85 16.912 -6.108 -1.481 1.00 0.00 C ATOM 1221 C GLY A 85 16.057 -6.167 -0.236 1.00 0.00 C ATOM 1222 O GLY A 85 15.073 -6.912 -0.202 1.00 0.00 O ATOM 0 H GLY A 85 16.189 -6.644 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.488 -7.028 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.628 -5.291 -1.397 1.00 0.00 H new ATOM 1226 N ASN A 86 16.221 -5.173 0.618 1.00 0.00 N ATOM 1227 CA ASN A 86 15.209 -4.920 1.625 1.00 0.00 C ATOM 1228 C ASN A 86 14.975 -3.420 1.761 1.00 0.00 C ATOM 1229 O ASN A 86 15.567 -2.733 2.594 1.00 0.00 O ATOM 1230 CB ASN A 86 15.564 -5.571 2.986 1.00 0.00 C ATOM 1231 CG ASN A 86 16.947 -5.239 3.560 1.00 0.00 C ATOM 1232 OD1 ASN A 86 17.315 -5.758 4.614 1.00 0.00 O ATOM 1233 ND2 ASN A 86 17.719 -4.382 2.909 1.00 0.00 N ATOM 0 H ASN A 86 17.023 -4.543 0.636 1.00 0.00 H new ATOM 0 HA ASN A 86 14.280 -5.388 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.811 -5.272 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.490 -6.653 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.638 -4.140 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.394 -3.964 2.037 1.00 0.00 H new ATOM 1239 N GLU A 87 13.988 -2.964 1.013 1.00 0.00 N ATOM 1240 CA GLU A 87 13.526 -1.592 1.047 1.00 0.00 C ATOM 1241 C GLU A 87 12.243 -1.509 0.237 1.00 0.00 C ATOM 1242 O GLU A 87 12.098 -2.211 -0.768 1.00 0.00 O ATOM 1243 CB GLU A 87 14.590 -0.626 0.505 1.00 0.00 C ATOM 1244 CG GLU A 87 15.065 -0.942 -0.905 1.00 0.00 C ATOM 1245 CD GLU A 87 16.248 -0.094 -1.319 1.00 0.00 C ATOM 1246 OE1 GLU A 87 17.313 -0.189 -0.668 1.00 0.00 O ATOM 1247 OE2 GLU A 87 16.125 0.675 -2.298 1.00 0.00 O ATOM 0 H GLU A 87 13.476 -3.549 0.353 1.00 0.00 H new ATOM 0 HA GLU A 87 13.336 -1.293 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.186 0.386 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.449 -0.637 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.338 -1.996 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.245 -0.784 -1.606 1.00 0.00 H new ATOM 1252 N LEU A 88 11.294 -0.726 0.699 1.00 0.00 N ATOM 1253 CA LEU A 88 10.028 -0.617 0.005 1.00 0.00 C ATOM 1254 C LEU A 88 9.847 0.769 -0.587 1.00 0.00 C ATOM 1255 O LEU A 88 9.765 1.762 0.131 1.00 0.00 O ATOM 1256 CB LEU A 88 8.858 -0.930 0.934 1.00 0.00 C ATOM 1257 CG LEU A 88 7.481 -0.783 0.282 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.201 -1.936 -0.661 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.396 -0.678 1.337 1.00 0.00 C ATOM 0 H LEU A 88 11.372 -0.160 1.544 1.00 0.00 H new ATOM 0 HA LEU A 88 10.041 -1.349 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.965 -1.950 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.910 -0.270 1.800 1.00 0.00 H new ATOM 0 HG LEU A 88 7.481 0.138 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.217 -1.807 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.958 -1.957 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.227 -2.874 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.426 -0.574 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.399 -1.577 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.582 0.193 1.965 1.00 0.00 H new ATOM 1270 N ILE A 89 9.597 0.797 -1.877 1.00 0.00 N ATOM 1271 CA ILE A 89 9.202 2.009 -2.554 1.00 0.00 C ATOM 1272 C ILE A 89 7.709 1.904 -2.816 1.00 0.00 C ATOM 1273 O ILE A 89 7.185 0.797 -2.895 1.00 0.00 O ATOM 1274 CB ILE A 89 9.969 2.202 -3.892 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.484 2.303 -3.660 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.479 3.439 -4.631 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.178 0.969 -3.458 1.00 0.00 C ATOM 0 H ILE A 89 9.662 -0.020 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 89 9.439 2.873 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 89 9.770 1.323 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.937 2.809 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.664 2.929 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.033 3.549 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.416 3.335 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.636 4.320 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.244 1.134 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.756 0.468 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.033 0.346 -4.341 1.00 0.00 H new ATOM 1288 N GLN A 90 7.001 3.011 -2.808 1.00 0.00 N ATOM 1289 CA GLN A 90 5.562 2.956 -2.969 1.00 0.00 C ATOM 1290 C GLN A 90 5.103 3.943 -4.029 1.00 0.00 C ATOM 1291 O GLN A 90 5.303 5.152 -3.893 1.00 0.00 O ATOM 1292 CB GLN A 90 4.872 3.249 -1.641 1.00 0.00 C ATOM 1293 CG GLN A 90 3.393 2.900 -1.623 1.00 0.00 C ATOM 1294 CD GLN A 90 3.130 1.437 -1.926 1.00 0.00 C ATOM 1295 OE1 GLN A 90 3.319 0.980 -3.054 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.706 0.693 -0.918 1.00 0.00 N ATOM 0 H GLN A 90 7.388 3.948 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 90 5.290 1.952 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.376 2.692 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.988 4.308 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.979 3.144 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.870 3.517 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.563 1.113 0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.522 -0.300 -1.059 1.00 0.00 H new ATOM 1303 N THR A 91 4.502 3.419 -5.086 1.00 0.00 N ATOM 1304 CA THR A 91 4.008 4.245 -6.175 1.00 0.00 C ATOM 1305 C THR A 91 2.494 4.357 -6.118 1.00 0.00 C ATOM 1306 O THR A 91 1.787 3.354 -6.202 1.00 0.00 O ATOM 1307 CB THR A 91 4.391 3.667 -7.547 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.532 2.808 -7.420 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.699 4.778 -8.539 1.00 0.00 C ATOM 0 H THR A 91 4.344 2.419 -5.212 1.00 0.00 H new ATOM 0 HA THR A 91 4.467 5.226 -6.056 1.00 0.00 H new ATOM 0 HB THR A 91 3.543 3.093 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.251 1.874 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.967 4.342 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.821 5.412 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.530 5.377 -8.168 1.00 0.00 H new ATOM 1317 N TYR A 92 2.005 5.580 -6.114 1.00 0.00 N ATOM 1318 CA TYR A 92 0.582 5.832 -6.199 1.00 0.00 C ATOM 1319 C TYR A 92 0.231 6.291 -7.600 1.00 0.00 C ATOM 1320 O TYR A 92 0.651 7.362 -8.039 1.00 0.00 O ATOM 1321 CB TYR A 92 0.140 6.892 -5.184 1.00 0.00 C ATOM 1322 CG TYR A 92 0.080 6.401 -3.754 1.00 0.00 C ATOM 1323 CD1 TYR A 92 1.195 5.850 -3.133 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.095 6.498 -3.021 1.00 0.00 C ATOM 1325 CE1 TYR A 92 1.138 5.410 -1.827 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.159 6.059 -1.713 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.040 5.516 -1.121 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.099 5.076 0.182 1.00 0.00 O ATOM 0 H TYR A 92 2.578 6.421 -6.052 1.00 0.00 H new ATOM 0 HA TYR A 92 0.058 4.904 -5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.827 7.737 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.844 7.263 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.121 5.765 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.974 6.924 -3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.014 4.984 -1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.081 6.141 -1.157 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.001 5.224 0.537 1.00 0.00 H new ATOM 1337 N THR A 93 -0.477 5.445 -8.317 1.00 0.00 N ATOM 1338 CA THR A 93 -0.891 5.743 -9.672 1.00 0.00 C ATOM 1339 C THR A 93 -2.378 6.084 -9.709 1.00 0.00 C ATOM 1340 O THR A 93 -3.231 5.203 -9.591 1.00 0.00 O ATOM 1341 CB THR A 93 -0.611 4.543 -10.593 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.700 4.034 -10.317 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.710 4.939 -12.060 1.00 0.00 C ATOM 0 H THR A 93 -0.782 4.532 -7.978 1.00 0.00 H new ATOM 0 HA THR A 93 -0.320 6.602 -10.025 1.00 0.00 H new ATOM 0 HB THR A 93 -1.360 3.775 -10.400 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.883 3.268 -10.900 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.507 4.070 -12.686 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.713 5.311 -12.270 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.019 5.720 -12.276 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.682 7.363 -9.848 1.00 0.00 N ATOM 1352 CA TYR A 94 -4.061 7.814 -9.881 1.00 0.00 C ATOM 1353 C TYR A 94 -4.479 8.169 -11.303 1.00 0.00 C ATOM 1354 O TYR A 94 -3.970 9.128 -11.888 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.257 9.015 -8.948 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.621 9.664 -9.047 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.791 8.909 -8.982 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.735 11.035 -9.217 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -8.029 9.513 -9.084 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.968 11.643 -9.323 1.00 0.00 C ATOM 1361 CZ TYR A 94 -8.110 10.878 -9.255 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.339 11.482 -9.366 1.00 0.00 O ATOM 0 H TYR A 94 -1.991 8.108 -9.940 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.695 6.999 -9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.095 8.692 -7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.495 9.762 -9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.729 7.839 -8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.841 11.639 -9.267 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.929 8.918 -9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.037 12.712 -9.458 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.220 12.448 -9.481 1.00 0.00 H new ATOM 1371 N GLU A 95 -5.444 7.408 -11.817 1.00 0.00 N ATOM 1372 CA GLU A 95 -6.022 7.608 -13.148 1.00 0.00 C ATOM 1373 C GLU A 95 -4.999 7.355 -14.263 1.00 0.00 C ATOM 1374 O GLU A 95 -5.149 6.415 -15.042 1.00 0.00 O ATOM 1375 CB GLU A 95 -6.611 9.015 -13.274 1.00 0.00 C ATOM 1376 CG GLU A 95 -7.499 9.199 -14.495 1.00 0.00 C ATOM 1377 CD GLU A 95 -8.085 10.592 -14.586 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -8.771 11.016 -13.634 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -7.863 11.264 -15.612 1.00 0.00 O ATOM 0 H GLU A 95 -5.854 6.622 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.822 6.877 -13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.190 9.239 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.796 9.738 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.920 8.993 -15.395 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.309 8.470 -14.464 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.938 8.153 -14.300 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.901 7.969 -15.296 1.00 0.00 C ATOM 1386 C GLY A 96 -1.636 8.736 -14.967 1.00 0.00 C ATOM 1387 O GLY A 96 -0.914 9.171 -15.865 1.00 0.00 O ATOM 0 H GLY A 96 -3.778 8.927 -13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.667 6.908 -15.380 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.274 8.291 -16.268 1.00 0.00 H new ATOM 1391 N VAL A 97 -1.325 8.826 -13.681 1.00 0.00 N ATOM 1392 CA VAL A 97 -0.093 9.459 -13.217 1.00 0.00 C ATOM 1393 C VAL A 97 0.463 8.684 -12.034 1.00 0.00 C ATOM 1394 O VAL A 97 -0.296 8.204 -11.195 1.00 0.00 O ATOM 1395 CB VAL A 97 -0.300 10.938 -12.800 1.00 0.00 C ATOM 1396 CG1 VAL A 97 -0.625 11.807 -14.003 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -1.391 11.062 -11.744 1.00 0.00 C ATOM 0 H VAL A 97 -1.915 8.465 -12.931 1.00 0.00 H new ATOM 0 HA VAL A 97 0.607 9.447 -14.053 1.00 0.00 H new ATOM 0 HB VAL A 97 0.636 11.291 -12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.765 12.838 -13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.196 11.759 -14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.539 11.448 -14.475 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.515 12.110 -11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.330 10.678 -12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.110 10.487 -10.862 1.00 0.00 H new ATOM 1407 N GLU A 98 1.774 8.521 -11.983 1.00 0.00 N ATOM 1408 CA GLU A 98 2.389 7.768 -10.904 1.00 0.00 C ATOM 1409 C GLU A 98 3.415 8.606 -10.150 1.00 0.00 C ATOM 1410 O GLU A 98 4.122 9.430 -10.731 1.00 0.00 O ATOM 1411 CB GLU A 98 3.005 6.458 -11.424 1.00 0.00 C ATOM 1412 CG GLU A 98 3.832 6.584 -12.699 1.00 0.00 C ATOM 1413 CD GLU A 98 5.192 7.210 -12.473 1.00 0.00 C ATOM 1414 OE1 GLU A 98 5.939 6.728 -11.594 1.00 0.00 O ATOM 1415 OE2 GLU A 98 5.528 8.177 -13.189 1.00 0.00 O ATOM 0 H GLU A 98 2.428 8.896 -12.670 1.00 0.00 H new ATOM 0 HA GLU A 98 1.603 7.506 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.637 6.038 -10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.201 5.744 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.964 5.595 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.280 7.183 -13.424 1.00 0.00 H new ATOM 1420 N ALA A 99 3.450 8.416 -8.842 1.00 0.00 N ATOM 1421 CA ALA A 99 4.373 9.123 -7.972 1.00 0.00 C ATOM 1422 C ALA A 99 4.837 8.174 -6.885 1.00 0.00 C ATOM 1423 O ALA A 99 4.024 7.441 -6.317 1.00 0.00 O ATOM 1424 CB ALA A 99 3.706 10.347 -7.366 1.00 0.00 C ATOM 0 H ALA A 99 2.837 7.765 -8.352 1.00 0.00 H new ATOM 0 HA ALA A 99 5.231 9.467 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.414 10.863 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.387 11.019 -8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.839 10.037 -6.783 1.00 0.00 H new ATOM 1430 N LYS A 100 6.141 8.075 -6.695 1.00 0.00 N ATOM 1431 CA LYS A 100 6.685 7.081 -5.784 1.00 0.00 C ATOM 1432 C LYS A 100 7.521 7.716 -4.681 1.00 0.00 C ATOM 1433 O LYS A 100 8.344 8.597 -4.931 1.00 0.00 O ATOM 1434 CB LYS A 100 7.528 6.058 -6.555 1.00 0.00 C ATOM 1435 CG LYS A 100 8.700 6.666 -7.307 1.00 0.00 C ATOM 1436 CD LYS A 100 9.623 5.598 -7.861 1.00 0.00 C ATOM 1437 CE LYS A 100 10.819 6.216 -8.565 1.00 0.00 C ATOM 1438 NZ LYS A 100 11.783 5.188 -9.035 1.00 0.00 N ATOM 0 H LYS A 100 6.837 8.663 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 100 5.842 6.576 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.906 5.312 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.887 5.534 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.327 7.285 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.260 7.321 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.967 4.955 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.074 4.966 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.474 6.805 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.324 6.902 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.583 5.653 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.133 4.642 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.309 4.548 -9.704 1.00 0.00 H new ATOM 1448 N ARG A 101 7.379 7.179 -3.483 1.00 0.00 N ATOM 1449 CA ARG A 101 8.207 7.582 -2.362 1.00 0.00 C ATOM 1450 C ARG A 101 9.030 6.383 -1.910 1.00 0.00 C ATOM 1451 O ARG A 101 8.570 5.243 -2.011 1.00 0.00 O ATOM 1452 CB ARG A 101 7.342 8.108 -1.216 1.00 0.00 C ATOM 1453 CG ARG A 101 8.116 8.929 -0.195 1.00 0.00 C ATOM 1454 CD ARG A 101 8.644 10.219 -0.800 1.00 0.00 C ATOM 1455 NE ARG A 101 7.563 11.088 -1.261 1.00 0.00 N ATOM 1456 CZ ARG A 101 7.746 12.243 -1.896 1.00 0.00 C ATOM 1457 NH1 ARG A 101 8.971 12.683 -2.157 1.00 0.00 N ATOM 1458 NH2 ARG A 101 6.697 12.959 -2.274 1.00 0.00 N ATOM 0 H ARG A 101 6.693 6.458 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 101 8.874 8.388 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.540 8.720 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.872 7.265 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.470 9.161 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.948 8.340 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.244 10.748 -0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.303 9.985 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 101 6.604 10.789 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 101 9.782 12.134 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.101 13.570 -2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.754 12.624 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.833 13.845 -2.761 1.00 0.00 H new ATOM 1469 N ILE A 102 10.282 6.617 -1.559 1.00 0.00 N ATOM 1470 CA ILE A 102 11.197 5.525 -1.263 1.00 0.00 C ATOM 1471 C ILE A 102 11.386 5.348 0.238 1.00 0.00 C ATOM 1472 O ILE A 102 11.775 6.282 0.946 1.00 0.00 O ATOM 1473 CB ILE A 102 12.575 5.760 -1.920 1.00 0.00 C ATOM 1474 CG1 ILE A 102 12.424 5.912 -3.436 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.526 4.620 -1.585 1.00 0.00 C ATOM 1476 CD1 ILE A 102 13.726 6.197 -4.152 1.00 0.00 C ATOM 0 H ILE A 102 10.689 7.548 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 102 10.751 4.619 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 102 12.996 6.684 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.989 4.999 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.722 6.719 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.492 4.802 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.655 4.559 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.113 3.681 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.540 6.292 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.153 7.126 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 102 14.424 5.379 -3.977 1.00 0.00 H new ATOM 1487 N PHE A 103 11.158 4.129 0.706 1.00 0.00 N ATOM 1488 CA PHE A 103 11.338 3.785 2.106 1.00 0.00 C ATOM 1489 C PHE A 103 12.258 2.575 2.217 1.00 0.00 C ATOM 1490 O PHE A 103 12.546 1.913 1.223 1.00 0.00 O ATOM 1491 CB PHE A 103 9.993 3.481 2.777 1.00 0.00 C ATOM 1492 CG PHE A 103 8.924 4.495 2.483 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.925 5.729 3.113 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.912 4.207 1.581 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.937 6.658 2.846 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.923 5.131 1.310 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.935 6.357 1.943 1.00 0.00 C ATOM 0 H PHE A 103 10.843 3.352 0.125 1.00 0.00 H new ATOM 0 HA PHE A 103 11.786 4.637 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.649 2.500 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.140 3.425 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.706 5.967 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.897 3.248 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.948 7.617 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.141 4.895 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.162 7.081 1.733 1.00 0.00 H new ATOM 1506 N LYS A 104 12.742 2.309 3.415 1.00 0.00 N ATOM 1507 CA LYS A 104 13.644 1.189 3.641 1.00 0.00 C ATOM 1508 C LYS A 104 13.180 0.366 4.835 1.00 0.00 C ATOM 1509 O LYS A 104 12.355 0.829 5.618 1.00 0.00 O ATOM 1510 CB LYS A 104 15.086 1.687 3.843 1.00 0.00 C ATOM 1511 CG LYS A 104 15.226 2.918 4.745 1.00 0.00 C ATOM 1512 CD LYS A 104 14.763 2.653 6.171 1.00 0.00 C ATOM 1513 CE LYS A 104 15.101 3.807 7.096 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.692 3.527 8.494 1.00 0.00 N ATOM 0 H LYS A 104 12.527 2.853 4.251 1.00 0.00 H new ATOM 0 HA LYS A 104 13.629 0.548 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.679 0.876 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.514 1.919 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.268 3.238 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.646 3.740 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.686 2.485 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.231 1.741 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.173 3.999 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.604 4.712 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.954 4.331 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.662 3.386 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.172 2.668 8.831 1.00 0.00 H new ATOM 1524 N LYS A 105 13.717 -0.839 4.980 1.00 0.00 N ATOM 1525 CA LYS A 105 13.372 -1.689 6.114 1.00 0.00 C ATOM 1526 C LYS A 105 13.837 -1.033 7.413 1.00 0.00 C ATOM 1527 O LYS A 105 14.982 -0.588 7.517 1.00 0.00 O ATOM 1528 CB LYS A 105 14.010 -3.072 5.951 1.00 0.00 C ATOM 1529 CG LYS A 105 13.481 -4.111 6.930 1.00 0.00 C ATOM 1530 CD LYS A 105 14.041 -5.492 6.621 1.00 0.00 C ATOM 1531 CE LYS A 105 13.381 -6.577 7.461 1.00 0.00 C ATOM 1532 NZ LYS A 105 13.681 -6.438 8.913 1.00 0.00 N ATOM 0 H LYS A 105 14.389 -1.248 4.331 1.00 0.00 H new ATOM 0 HA LYS A 105 12.290 -1.813 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.838 -3.424 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 105 15.089 -2.982 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 105 13.749 -3.826 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.392 -4.138 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 105 13.896 -5.714 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 105 15.116 -5.496 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 105 12.302 -6.541 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 105 13.718 -7.554 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.209 -7.200 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.708 -6.499 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.336 -5.517 9.252 1.00 0.00 H new ATOM 1542 N GLU A 106 12.931 -0.909 8.366 1.00 0.00 N ATOM 1543 CA GLU A 106 13.233 -0.257 9.627 1.00 0.00 C ATOM 1544 C GLU A 106 13.914 -1.237 10.573 1.00 0.00 C ATOM 1545 O GLU A 106 13.218 -2.107 11.142 1.00 0.00 O ATOM 1546 CB GLU A 106 11.949 0.299 10.251 1.00 0.00 C ATOM 1547 CG GLU A 106 12.173 1.148 11.494 1.00 0.00 C ATOM 1548 CD GLU A 106 12.981 2.401 11.217 1.00 0.00 C ATOM 1549 OE1 GLU A 106 14.178 2.286 10.896 1.00 0.00 O ATOM 1550 OE2 GLU A 106 12.421 3.511 11.326 1.00 0.00 O ATOM 1551 OXT GLU A 106 15.149 -1.152 10.729 1.00 0.00 O ATOM 0 H GLU A 106 11.974 -1.254 8.289 1.00 0.00 H new ATOM 0 HA GLU A 106 13.915 0.574 9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.427 0.898 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.294 -0.533 10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.207 1.430 11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.686 0.551 12.248 1.00 0.00 H new