USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 843 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 99 ASN : amide:sc= 1.15 K(o=1.1,f=-0.36) USER MOD Set 1.2: A 102 MET CE :methyl 156:sc= -0.0196 (180deg=-0.397) USER MOD Set 2.1: A 93 ASN : amide:sc= -1.26 K(o=-1.7,f=-8.2!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= -0.48 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -32:sc= 0.0042 USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.0193 (180deg=-0.194) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.04 K(o=-1,f=-3.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 139:sc= -0.904! USER MOD Single : A 32 THR OG1 : rot 56:sc= 0.623 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 0.359 (180deg=-0.743!) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.9 F(o=-3.6!,f=0.9) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -54:sc= 0.985 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.13) USER MOD Single : A 49 GLN : amide:sc= -0.0939 K(o=-0.094,f=-0.71) USER MOD Single : A 51 THR OG1 : rot 31:sc= 1.06 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 36:sc= 0.305 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0709 (180deg=-0.483) USER MOD Single : A 58 MET CE :methyl -173:sc= 0 (180deg=-0.0367) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= 0.00575 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00506 K(o=-0.0051,f=-1.2) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= 0.838 (180deg=0.0972) USER MOD Single : A 87 HIS : no HD1:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 49:sc= 0.247 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl 139:sc= -1.1 (180deg=-2.89!) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0388) USER MOD Single : A 103 THR OG1 : rot 81:sc= 0.332 USER MOD Single : A 105 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.3!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 109 SER OG : rot -92:sc= 0.0778 USER MOD Single : A 111 TYR OH : rot 130:sc= -0.0743 USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0375) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.148 -2.632 -0.091 1.00 25.00 N ATOM 47 CA SER A 4 15.925 -2.453 1.346 1.00 25.00 C ATOM 48 C SER A 4 16.291 -1.042 1.789 1.00 25.00 C ATOM 49 O SER A 4 17.203 -0.418 1.239 1.00 25.00 O ATOM 50 CB SER A 4 16.724 -3.493 2.150 1.00 25.00 C ATOM 51 OG SER A 4 18.125 -3.297 2.022 1.00 25.00 O ATOM 0 HA SER A 4 14.863 -2.602 1.541 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.443 -3.433 3.202 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.464 -4.495 1.807 1.00 25.00 H new ATOM 0 HG SER A 4 18.324 -2.932 1.135 1.00 25.00 H new ATOM 57 N GLY A 5 15.560 -0.557 2.792 1.00 25.00 N ATOM 58 CA GLY A 5 15.793 0.771 3.329 1.00 25.00 C ATOM 59 C GLY A 5 15.369 0.878 4.776 1.00 25.00 C ATOM 60 O GLY A 5 15.860 0.133 5.627 1.00 25.00 O ATOM 0 H GLY A 5 14.803 -1.069 3.245 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.851 1.017 3.242 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.246 1.503 2.736 1.00 25.00 H new ATOM 64 N ALA A 6 14.460 1.817 5.049 1.00 25.00 N ATOM 65 CA ALA A 6 13.885 1.992 6.383 1.00 25.00 C ATOM 66 C ALA A 6 12.433 2.453 6.276 1.00 25.00 C ATOM 67 O ALA A 6 12.149 3.487 5.660 1.00 25.00 O ATOM 68 CB ALA A 6 14.697 2.989 7.195 1.00 25.00 C ATOM 0 H ALA A 6 14.104 2.474 4.355 1.00 25.00 H new ATOM 0 HA ALA A 6 13.912 1.031 6.897 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.251 3.103 8.183 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.720 2.627 7.298 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.703 3.953 6.686 1.00 25.00 H new ATOM 74 N ALA A 7 11.514 1.680 6.869 1.00 25.00 N ATOM 75 CA ALA A 7 10.080 1.968 6.768 1.00 25.00 C ATOM 76 C ALA A 7 9.344 1.727 8.091 1.00 25.00 C ATOM 77 O ALA A 7 9.783 0.929 8.922 1.00 25.00 O ATOM 78 CB ALA A 7 9.457 1.126 5.667 1.00 25.00 C ATOM 0 H ALA A 7 11.738 0.853 7.422 1.00 25.00 H new ATOM 0 HA ALA A 7 9.977 3.026 6.526 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.392 1.346 5.599 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.937 1.358 4.716 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.595 0.069 5.895 1.00 25.00 H new ATOM 84 N ILE A 8 8.218 2.433 8.267 1.00 25.00 N ATOM 85 CA ILE A 8 7.344 2.270 9.438 1.00 25.00 C ATOM 86 C ILE A 8 6.002 1.666 8.989 1.00 25.00 C ATOM 87 O ILE A 8 5.459 2.044 7.948 1.00 25.00 O ATOM 88 CB ILE A 8 7.106 3.633 10.179 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.440 4.208 10.709 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.099 3.475 11.332 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.393 5.677 11.098 1.00 25.00 C ATOM 0 H ILE A 8 7.888 3.133 7.602 1.00 25.00 H new ATOM 0 HA ILE A 8 7.835 1.599 10.143 1.00 25.00 H new ATOM 0 HB ILE A 8 6.686 4.332 9.456 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.750 3.627 11.577 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.206 4.073 9.945 1.00 25.00 H new ATOM 0 HG21 ILE A 8 5.956 4.437 11.825 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.145 3.125 10.937 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.481 2.752 12.052 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.373 5.990 11.457 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.117 6.275 10.229 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.654 5.821 11.887 1.00 25.00 H new ATOM 103 N PHE A 9 5.482 0.729 9.791 1.00 25.00 N ATOM 104 CA PHE A 9 4.217 0.049 9.499 1.00 25.00 C ATOM 105 C PHE A 9 3.459 -0.200 10.800 1.00 25.00 C ATOM 106 O PHE A 9 3.955 -0.887 11.689 1.00 25.00 O ATOM 107 CB PHE A 9 4.479 -1.276 8.751 1.00 25.00 C ATOM 108 CG PHE A 9 3.242 -1.999 8.267 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.586 -1.585 7.115 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.734 -3.084 8.967 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.452 -2.240 6.674 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.604 -3.742 8.529 1.00 25.00 C ATOM 113 CZ PHE A 9 0.971 -3.335 7.374 1.00 25.00 C ATOM 0 H PHE A 9 5.925 0.423 10.657 1.00 25.00 H new ATOM 0 HA PHE A 9 3.608 0.682 8.854 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.119 -1.070 7.893 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.035 -1.943 9.410 1.00 25.00 H new ATOM 0 HD1 PHE A 9 2.966 -0.742 6.558 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.230 -3.418 9.867 1.00 25.00 H new ATOM 0 HE1 PHE A 9 0.941 -1.899 5.785 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.214 -4.577 9.092 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.103 -3.868 7.016 1.00 25.00 H new ATOM 123 N GLU A 10 2.245 0.368 10.892 1.00 25.00 N ATOM 124 CA GLU A 10 1.378 0.276 12.096 1.00 25.00 C ATOM 125 C GLU A 10 2.025 0.947 13.326 1.00 25.00 C ATOM 126 O GLU A 10 1.958 0.440 14.452 1.00 25.00 O ATOM 127 CB GLU A 10 0.992 -1.184 12.406 1.00 25.00 C ATOM 128 CG GLU A 10 0.248 -1.869 11.271 1.00 25.00 C ATOM 129 CD GLU A 10 -0.128 -3.302 11.595 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.783 -4.106 11.884 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.336 -3.620 11.561 1.00 25.00 O ATOM 0 H GLU A 10 1.828 0.908 10.134 1.00 25.00 H new ATOM 0 HA GLU A 10 0.464 0.824 11.867 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.896 -1.750 12.631 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.371 -1.205 13.302 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.656 -1.304 11.042 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.869 -1.855 10.375 1.00 25.00 H new ATOM 138 N LYS A 11 2.655 2.112 13.073 1.00 25.00 N ATOM 139 CA LYS A 11 3.281 2.978 14.111 1.00 25.00 C ATOM 140 C LYS A 11 4.547 2.373 14.745 1.00 25.00 C ATOM 141 O LYS A 11 5.234 3.046 15.521 1.00 25.00 O ATOM 142 CB LYS A 11 2.285 3.385 15.200 1.00 25.00 C ATOM 143 CG LYS A 11 1.145 4.250 14.675 1.00 25.00 C ATOM 144 CD LYS A 11 0.263 4.732 15.807 1.00 25.00 C ATOM 145 CE LYS A 11 -0.585 3.610 16.400 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.603 3.111 15.434 1.00 25.00 N ATOM 0 H LYS A 11 2.748 2.489 12.130 1.00 25.00 H new ATOM 0 HA LYS A 11 3.595 3.872 13.573 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.870 2.487 15.659 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.814 3.928 15.983 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.552 5.106 14.137 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.549 3.679 13.963 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.885 5.166 16.590 1.00 25.00 H new ATOM 0 HD3 LYS A 11 -0.391 5.525 15.443 1.00 25.00 H new ATOM 0 HE2 LYS A 11 0.063 2.787 16.702 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.084 3.969 17.300 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.303 2.529 15.937 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -2.081 3.918 14.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.136 2.536 14.704 1.00 25.00 H new ATOM 160 N VAL A 12 4.854 1.114 14.407 1.00 25.00 N ATOM 161 CA VAL A 12 6.101 0.472 14.831 1.00 25.00 C ATOM 162 C VAL A 12 7.156 0.655 13.728 1.00 25.00 C ATOM 163 O VAL A 12 6.936 0.263 12.579 1.00 25.00 O ATOM 164 CB VAL A 12 5.879 -1.043 15.200 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.188 -1.757 15.496 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.895 -1.225 16.361 1.00 25.00 C ATOM 0 H VAL A 12 4.251 0.519 13.838 1.00 25.00 H new ATOM 0 HA VAL A 12 6.462 0.949 15.742 1.00 25.00 H new ATOM 0 HB VAL A 12 5.436 -1.503 14.317 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.986 -2.799 15.745 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.833 -1.713 14.619 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.685 -1.272 16.337 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.777 -2.287 16.575 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.278 -0.717 17.246 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.929 -0.801 16.089 1.00 25.00 H new ATOM 176 N SER A 13 8.289 1.267 14.093 1.00 25.00 N ATOM 177 CA SER A 13 9.341 1.578 13.126 1.00 25.00 C ATOM 178 C SER A 13 10.233 0.373 12.870 1.00 25.00 C ATOM 179 O SER A 13 10.623 -0.339 13.801 1.00 25.00 O ATOM 180 CB SER A 13 10.171 2.783 13.585 1.00 25.00 C ATOM 181 OG SER A 13 11.303 2.986 12.752 1.00 25.00 O ATOM 0 H SER A 13 8.498 1.555 15.049 1.00 25.00 H new ATOM 0 HA SER A 13 8.856 1.838 12.185 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.549 3.678 13.579 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.498 2.630 14.613 1.00 25.00 H new ATOM 0 HG SER A 13 11.809 3.762 13.071 1.00 25.00 H new ATOM 187 N GLY A 14 10.536 0.156 11.591 1.00 25.00 N ATOM 188 CA GLY A 14 11.319 -0.994 11.190 1.00 25.00 C ATOM 189 C GLY A 14 12.107 -0.762 9.922 1.00 25.00 C ATOM 190 O GLY A 14 12.369 0.381 9.535 1.00 25.00 O ATOM 0 H GLY A 14 10.249 0.763 10.823 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.006 -1.257 11.995 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.655 -1.846 11.047 1.00 25.00 H new ATOM 194 N ILE A 15 12.487 -1.866 9.286 1.00 25.00 N ATOM 195 CA ILE A 15 13.250 -1.842 8.040 1.00 25.00 C ATOM 196 C ILE A 15 12.500 -2.649 6.964 1.00 25.00 C ATOM 197 O ILE A 15 11.966 -3.725 7.248 1.00 25.00 O ATOM 198 CB ILE A 15 14.701 -2.402 8.276 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.583 -1.418 9.105 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.416 -2.801 6.976 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.879 -1.981 9.687 1.00 25.00 C ATOM 0 H ILE A 15 12.274 -2.806 9.620 1.00 25.00 H new ATOM 0 HA ILE A 15 13.350 -0.814 7.691 1.00 25.00 H new ATOM 0 HB ILE A 15 14.565 -3.313 8.858 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.836 -0.570 8.469 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.981 -1.031 9.927 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.411 -3.179 7.209 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.843 -3.577 6.469 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.502 -1.930 6.326 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.399 -1.199 10.240 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.647 -2.808 10.359 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.516 -2.339 8.878 1.00 25.00 H new ATOM 213 N ILE A 16 12.477 -2.116 5.734 1.00 25.00 N ATOM 214 CA ILE A 16 11.776 -2.756 4.619 1.00 25.00 C ATOM 215 C ILE A 16 12.770 -3.511 3.718 1.00 25.00 C ATOM 216 O ILE A 16 13.877 -3.028 3.471 1.00 25.00 O ATOM 217 CB ILE A 16 10.915 -1.695 3.830 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.410 -2.001 4.025 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.275 -1.593 2.333 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.551 -1.848 2.772 1.00 25.00 C ATOM 0 H ILE A 16 12.939 -1.240 5.489 1.00 25.00 H new ATOM 0 HA ILE A 16 11.081 -3.500 5.008 1.00 25.00 H new ATOM 0 HB ILE A 16 11.150 -0.717 4.249 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.307 -3.021 4.395 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.018 -1.341 4.798 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.642 -0.844 1.857 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.321 -1.303 2.229 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.117 -2.559 1.854 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.514 -2.084 3.011 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.616 -0.822 2.410 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.909 -2.529 2.000 1.00 25.00 H new ATOM 232 N ALA A 17 12.362 -4.694 3.251 1.00 25.00 N ATOM 233 CA ALA A 17 13.188 -5.512 2.356 1.00 25.00 C ATOM 234 C ALA A 17 12.354 -6.099 1.220 1.00 25.00 C ATOM 235 O ALA A 17 11.180 -6.420 1.409 1.00 25.00 O ATOM 236 CB ALA A 17 13.875 -6.625 3.136 1.00 25.00 C ATOM 0 H ALA A 17 11.459 -5.110 3.479 1.00 25.00 H new ATOM 0 HA ALA A 17 13.950 -4.867 1.918 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.484 -7.223 2.457 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.511 -6.190 3.907 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.122 -7.260 3.603 1.00 25.00 H new ATOM 242 N ILE A 18 12.972 -6.230 0.041 1.00 25.00 N ATOM 243 CA ILE A 18 12.311 -6.837 -1.120 1.00 25.00 C ATOM 244 C ILE A 18 12.855 -8.254 -1.347 1.00 25.00 C ATOM 245 O ILE A 18 14.056 -8.509 -1.217 1.00 25.00 O ATOM 246 CB ILE A 18 12.453 -5.973 -2.418 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.763 -4.602 -2.223 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.868 -6.707 -3.630 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.966 -3.603 -3.347 1.00 25.00 C ATOM 0 H ILE A 18 13.929 -5.924 -0.135 1.00 25.00 H new ATOM 0 HA ILE A 18 11.245 -6.887 -0.899 1.00 25.00 H new ATOM 0 HB ILE A 18 13.513 -5.806 -2.608 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.693 -4.768 -2.097 1.00 25.00 H new ATOM 0 HG13 ILE A 18 12.129 -4.159 -1.296 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.979 -6.087 -4.519 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.398 -7.648 -3.776 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.811 -6.909 -3.458 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.441 -2.677 -3.110 1.00 25.00 H new ATOM 0 HD12 ILE A 18 13.030 -3.398 -3.463 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.572 -4.016 -4.276 1.00 25.00 H new ATOM 261 N ASN A 19 11.937 -9.150 -1.693 1.00 25.00 N ATOM 262 CA ASN A 19 12.222 -10.574 -1.856 1.00 25.00 C ATOM 263 C ASN A 19 12.131 -10.973 -3.332 1.00 25.00 C ATOM 264 O ASN A 19 11.039 -11.180 -3.852 1.00 25.00 O ATOM 265 CB ASN A 19 11.220 -11.425 -1.034 1.00 25.00 C ATOM 266 CG ASN A 19 11.840 -12.667 -0.397 1.00 25.00 C ATOM 267 OD1 ASN A 19 13.063 -12.823 -0.394 1.00 25.00 O ATOM 268 ND2 ASN A 19 11.010 -13.571 0.122 1.00 25.00 N ATOM 0 H ASN A 19 10.962 -8.907 -1.871 1.00 25.00 H new ATOM 0 HA ASN A 19 13.233 -10.759 -1.494 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.788 -10.803 -0.250 1.00 25.00 H new ATOM 0 HB3 ASN A 19 10.401 -11.732 -1.684 1.00 25.00 H new ATOM 0 HD21 ASN A 19 11.382 -14.425 0.539 1.00 25.00 H new ATOM 0 HD22 ASN A 19 10.003 -13.409 0.102 1.00 25.00 H new ATOM 275 N GLU A 20 13.281 -11.072 -4.001 1.00 25.00 N ATOM 276 CA GLU A 20 13.335 -11.542 -5.389 1.00 25.00 C ATOM 277 C GLU A 20 14.249 -12.772 -5.479 1.00 25.00 C ATOM 278 O GLU A 20 14.973 -13.072 -4.524 1.00 25.00 O ATOM 279 CB GLU A 20 13.810 -10.430 -6.345 1.00 25.00 C ATOM 280 CG GLU A 20 12.743 -9.411 -6.745 1.00 25.00 C ATOM 281 CD GLU A 20 12.278 -9.588 -8.178 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.123 -9.481 -9.093 1.00 25.00 O ATOM 283 OE2 GLU A 20 11.076 -9.838 -8.386 1.00 25.00 O ATOM 0 H GLU A 20 14.190 -10.833 -3.604 1.00 25.00 H new ATOM 0 HA GLU A 20 12.328 -11.821 -5.700 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.638 -9.899 -5.875 1.00 25.00 H new ATOM 0 HB3 GLU A 20 14.202 -10.895 -7.250 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.888 -9.503 -6.075 1.00 25.00 H new ATOM 0 HG3 GLU A 20 13.141 -8.404 -6.617 1.00 25.00 H new ATOM 290 N ASP A 21 14.211 -13.489 -6.633 1.00 25.00 N ATOM 291 CA ASP A 21 14.887 -14.810 -6.813 1.00 25.00 C ATOM 292 C ASP A 21 14.183 -15.922 -6.013 1.00 25.00 C ATOM 293 O ASP A 21 14.614 -17.080 -5.994 1.00 25.00 O ATOM 294 CB ASP A 21 16.371 -14.759 -6.439 1.00 25.00 C ATOM 295 CG ASP A 21 17.160 -13.780 -7.286 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.999 -13.802 -8.525 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.939 -12.991 -6.712 1.00 25.00 O ATOM 0 H ASP A 21 13.713 -13.172 -7.465 1.00 25.00 H new ATOM 0 HA ASP A 21 14.815 -15.044 -7.875 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.466 -14.482 -5.389 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.802 -15.754 -6.547 1.00 25.00 H new ATOM 302 N VAL A 22 13.088 -15.527 -5.379 1.00 25.00 N ATOM 303 CA VAL A 22 12.222 -16.400 -4.582 1.00 25.00 C ATOM 304 C VAL A 22 10.955 -16.765 -5.377 1.00 25.00 C ATOM 305 O VAL A 22 10.849 -16.442 -6.565 1.00 25.00 O ATOM 306 CB VAL A 22 11.833 -15.737 -3.212 1.00 25.00 C ATOM 307 CG1 VAL A 22 13.021 -15.736 -2.258 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.293 -14.304 -3.377 1.00 25.00 C ATOM 0 H VAL A 22 12.763 -14.560 -5.403 1.00 25.00 H new ATOM 0 HA VAL A 22 12.781 -17.310 -4.363 1.00 25.00 H new ATOM 0 HB VAL A 22 11.029 -16.342 -2.793 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.730 -15.272 -1.315 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.341 -16.762 -2.075 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.843 -15.173 -2.701 1.00 25.00 H new ATOM 0 HG21 VAL A 22 11.040 -13.895 -2.399 1.00 25.00 H new ATOM 0 HG22 VAL A 22 12.054 -13.680 -3.845 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.402 -14.321 -4.004 1.00 25.00 H new ATOM 318 N SER A 23 10.005 -17.447 -4.718 1.00 25.00 N ATOM 319 CA SER A 23 8.670 -17.665 -5.293 1.00 25.00 C ATOM 320 C SER A 23 7.949 -16.307 -5.173 1.00 25.00 C ATOM 321 O SER A 23 8.390 -15.499 -4.350 1.00 25.00 O ATOM 322 CB SER A 23 7.948 -18.771 -4.514 1.00 25.00 C ATOM 323 OG SER A 23 7.677 -18.382 -3.179 1.00 25.00 O ATOM 0 H SER A 23 10.136 -17.854 -3.792 1.00 25.00 H new ATOM 0 HA SER A 23 8.702 -17.992 -6.332 1.00 25.00 H new ATOM 0 HB2 SER A 23 7.014 -19.020 -5.017 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.559 -19.673 -4.513 1.00 25.00 H new ATOM 0 HG SER A 23 7.215 -19.110 -2.713 1.00 25.00 H new ATOM 329 N PRO A 24 6.827 -15.999 -5.907 1.00 25.00 N ATOM 330 CA PRO A 24 6.634 -14.633 -6.459 1.00 25.00 C ATOM 331 C PRO A 24 6.993 -13.526 -5.469 1.00 25.00 C ATOM 332 O PRO A 24 6.552 -13.527 -4.315 1.00 25.00 O ATOM 333 CB PRO A 24 5.138 -14.608 -6.782 1.00 25.00 C ATOM 334 CG PRO A 24 4.821 -16.023 -7.114 1.00 25.00 C ATOM 335 CD PRO A 24 5.642 -16.850 -6.161 1.00 25.00 C ATOM 0 HA PRO A 24 7.282 -14.444 -7.315 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.552 -14.256 -5.933 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.921 -13.943 -7.618 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.757 -16.226 -6.994 1.00 25.00 H new ATOM 0 HG3 PRO A 24 5.074 -16.250 -8.150 1.00 25.00 H new ATOM 0 HD2 PRO A 24 5.097 -17.065 -5.242 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.921 -17.809 -6.598 1.00 25.00 H new ATOM 343 N ALA A 25 7.815 -12.584 -5.972 1.00 25.00 N ATOM 344 CA ALA A 25 8.543 -11.607 -5.150 1.00 25.00 C ATOM 345 C ALA A 25 7.655 -10.915 -4.126 1.00 25.00 C ATOM 346 O ALA A 25 6.505 -10.576 -4.416 1.00 25.00 O ATOM 347 CB ALA A 25 9.244 -10.590 -6.044 1.00 25.00 C ATOM 0 H ALA A 25 7.992 -12.482 -6.971 1.00 25.00 H new ATOM 0 HA ALA A 25 9.290 -12.159 -4.579 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.780 -9.871 -5.425 1.00 25.00 H new ATOM 0 HB2 ALA A 25 9.949 -11.104 -6.697 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.504 -10.067 -6.650 1.00 25.00 H new ATOM 353 N GLU A 26 8.202 -10.742 -2.918 1.00 25.00 N ATOM 354 CA GLU A 26 7.439 -10.215 -1.790 1.00 25.00 C ATOM 355 C GLU A 26 8.166 -9.112 -1.034 1.00 25.00 C ATOM 356 O GLU A 26 9.328 -9.242 -0.691 1.00 25.00 O ATOM 357 CB GLU A 26 7.024 -11.325 -0.803 1.00 25.00 C ATOM 358 CG GLU A 26 7.317 -12.756 -1.240 1.00 25.00 C ATOM 359 CD GLU A 26 7.172 -13.758 -0.110 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.198 -14.102 0.514 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.031 -14.199 0.150 1.00 25.00 O ATOM 0 H GLU A 26 9.174 -10.961 -2.700 1.00 25.00 H new ATOM 0 HA GLU A 26 6.545 -9.780 -2.236 1.00 25.00 H new ATOM 0 HB2 GLU A 26 7.529 -11.146 0.146 1.00 25.00 H new ATOM 0 HB3 GLU A 26 5.954 -11.236 -0.617 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.641 -13.029 -2.050 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.330 -12.809 -1.639 1.00 25.00 H new ATOM 368 N LEU A 27 7.406 -8.088 -0.659 1.00 25.00 N ATOM 369 CA LEU A 27 7.936 -6.911 0.011 1.00 25.00 C ATOM 370 C LEU A 27 7.731 -7.098 1.507 1.00 25.00 C ATOM 371 O LEU A 27 6.617 -7.001 2.029 1.00 25.00 O ATOM 372 CB LEU A 27 7.212 -5.656 -0.551 1.00 25.00 C ATOM 373 CG LEU A 27 7.516 -4.244 0.030 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.946 -3.787 -0.203 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.535 -3.187 -0.463 1.00 25.00 C ATOM 0 H LEU A 27 6.398 -8.054 -0.814 1.00 25.00 H new ATOM 0 HA LEU A 27 9.003 -6.773 -0.167 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.420 -5.616 -1.620 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.141 -5.826 -0.441 1.00 25.00 H new ATOM 0 HG LEU A 27 7.386 -4.355 1.107 1.00 25.00 H new ATOM 0 HD11 LEU A 27 9.086 -2.796 0.228 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.634 -4.489 0.269 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.146 -3.748 -1.274 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.792 -2.221 -0.028 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.587 -3.121 -1.550 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.523 -3.462 -0.164 1.00 25.00 H new ATOM 387 N THR A 28 8.841 -7.403 2.171 1.00 25.00 N ATOM 388 CA THR A 28 8.820 -7.826 3.562 1.00 25.00 C ATOM 389 C THR A 28 9.278 -6.699 4.490 1.00 25.00 C ATOM 390 O THR A 28 10.457 -6.330 4.504 1.00 25.00 O ATOM 391 CB THR A 28 9.716 -9.079 3.763 1.00 25.00 C ATOM 392 OG1 THR A 28 9.289 -10.130 2.887 1.00 25.00 O ATOM 393 CG2 THR A 28 9.662 -9.595 5.200 1.00 25.00 C ATOM 0 H THR A 28 9.774 -7.364 1.761 1.00 25.00 H new ATOM 0 HA THR A 28 7.791 -8.081 3.817 1.00 25.00 H new ATOM 0 HB THR A 28 10.740 -8.781 3.538 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.859 -10.916 3.017 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.303 -10.472 5.296 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.008 -8.816 5.879 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.636 -9.866 5.451 1.00 25.00 H new ATOM 401 N TRP A 29 8.325 -6.151 5.255 1.00 25.00 N ATOM 402 CA TRP A 29 8.642 -5.218 6.332 1.00 25.00 C ATOM 403 C TRP A 29 8.982 -6.001 7.594 1.00 25.00 C ATOM 404 O TRP A 29 8.300 -6.965 7.944 1.00 25.00 O ATOM 405 CB TRP A 29 7.470 -4.244 6.609 1.00 25.00 C ATOM 406 CG TRP A 29 7.668 -3.370 7.837 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.265 -2.143 7.876 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.284 -3.669 9.197 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.285 -1.663 9.165 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.685 -2.577 9.992 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.642 -4.750 9.823 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.470 -2.534 11.368 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.430 -4.701 11.190 1.00 25.00 C ATOM 414 CH2 TRP A 29 6.843 -3.600 11.946 1.00 25.00 C ATOM 0 H TRP A 29 7.329 -6.341 5.144 1.00 25.00 H new ATOM 0 HA TRP A 29 9.499 -4.619 6.024 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.331 -3.603 5.738 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.553 -4.821 6.730 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.664 -1.623 7.018 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.682 -0.771 9.458 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.319 -5.605 9.248 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.788 -1.687 11.957 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 5.937 -5.527 11.681 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.662 -3.593 13.011 1.00 25.00 H new ATOM 425 N ARG A 30 10.046 -5.573 8.254 1.00 25.00 N ATOM 426 CA ARG A 30 10.423 -6.121 9.544 1.00 25.00 C ATOM 427 C ARG A 30 10.581 -5.001 10.559 1.00 25.00 C ATOM 428 O ARG A 30 10.682 -3.829 10.185 1.00 25.00 O ATOM 429 CB ARG A 30 11.719 -6.922 9.444 1.00 25.00 C ATOM 430 CG ARG A 30 11.631 -8.147 8.551 1.00 25.00 C ATOM 431 CD ARG A 30 12.959 -8.883 8.486 1.00 25.00 C ATOM 432 NE ARG A 30 13.295 -9.582 9.736 1.00 25.00 N ATOM 433 CZ ARG A 30 12.895 -10.828 10.045 1.00 25.00 C ATOM 434 NH1 ARG A 30 12.154 -11.543 9.201 1.00 25.00 N ATOM 435 NH2 ARG A 30 13.243 -11.357 11.210 1.00 25.00 N ATOM 0 H ARG A 30 10.668 -4.841 7.912 1.00 25.00 H new ATOM 0 HA ARG A 30 9.631 -6.795 9.871 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.507 -6.269 9.069 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.015 -7.237 10.444 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.859 -8.819 8.927 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.330 -7.846 7.547 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.927 -9.605 7.670 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.750 -8.171 8.251 1.00 25.00 H new ATOM 0 HE ARG A 30 13.872 -9.087 10.416 1.00 25.00 H new ATOM 0 HH11 ARG A 30 11.880 -11.147 8.302 1.00 25.00 H new ATOM 0 HH12 ARG A 30 11.860 -12.487 9.454 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.811 -10.819 11.865 1.00 25.00 H new ATOM 0 HH22 ARG A 30 12.943 -12.302 11.451 1.00 25.00 H new ATOM 449 N SER A 31 10.596 -5.367 11.846 1.00 25.00 N ATOM 450 CA SER A 31 10.833 -4.401 12.920 1.00 25.00 C ATOM 451 C SER A 31 12.314 -3.982 12.917 1.00 25.00 C ATOM 452 O SER A 31 13.116 -4.604 12.210 1.00 25.00 O ATOM 453 CB SER A 31 10.406 -5.002 14.276 1.00 25.00 C ATOM 454 OG SER A 31 11.083 -6.209 14.577 1.00 25.00 O ATOM 0 H SER A 31 10.447 -6.324 12.167 1.00 25.00 H new ATOM 0 HA SER A 31 10.231 -3.507 12.756 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.597 -4.276 15.067 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.332 -5.186 14.265 1.00 25.00 H new ATOM 0 HG SER A 31 11.327 -6.219 15.526 1.00 25.00 H new ATOM 460 N THR A 32 12.687 -2.948 13.681 1.00 25.00 N ATOM 461 CA THR A 32 14.093 -2.481 13.717 1.00 25.00 C ATOM 462 C THR A 32 15.075 -3.600 14.122 1.00 25.00 C ATOM 463 O THR A 32 16.239 -3.595 13.704 1.00 25.00 O ATOM 464 CB THR A 32 14.280 -1.256 14.638 1.00 25.00 C ATOM 465 OG1 THR A 32 13.335 -0.230 14.307 1.00 25.00 O ATOM 466 CG2 THR A 32 15.703 -0.712 14.531 1.00 25.00 C ATOM 0 H THR A 32 12.050 -2.420 14.278 1.00 25.00 H new ATOM 0 HA THR A 32 14.327 -2.179 12.696 1.00 25.00 H new ATOM 0 HB THR A 32 14.107 -1.575 15.666 1.00 25.00 H new ATOM 0 HG1 THR A 32 12.427 -0.596 14.349 1.00 25.00 H new ATOM 0 HG21 THR A 32 15.813 0.151 15.188 1.00 25.00 H new ATOM 0 HG22 THR A 32 16.412 -1.486 14.826 1.00 25.00 H new ATOM 0 HG23 THR A 32 15.901 -0.412 13.502 1.00 25.00 H new ATOM 474 N ASP A 33 14.583 -4.561 14.917 1.00 25.00 N ATOM 475 CA ASP A 33 15.326 -5.792 15.224 1.00 25.00 C ATOM 476 C ASP A 33 14.824 -6.955 14.352 1.00 25.00 C ATOM 477 O ASP A 33 15.577 -7.881 14.035 1.00 25.00 O ATOM 478 CB ASP A 33 15.193 -6.154 16.710 1.00 25.00 C ATOM 479 CG ASP A 33 15.674 -5.047 17.632 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.834 -4.609 17.477 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.891 -4.620 18.506 1.00 25.00 O ATOM 0 H ASP A 33 13.667 -4.508 15.362 1.00 25.00 H new ATOM 0 HA ASP A 33 16.379 -5.615 15.004 1.00 25.00 H new ATOM 0 HB2 ASP A 33 14.150 -6.378 16.932 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.763 -7.061 16.911 1.00 25.00 H new ATOM 486 N GLY A 34 13.538 -6.878 13.976 1.00 25.00 N ATOM 487 CA GLY A 34 12.906 -7.864 13.105 1.00 25.00 C ATOM 488 C GLY A 34 12.069 -8.891 13.851 1.00 25.00 C ATOM 489 O GLY A 34 11.770 -9.959 13.309 1.00 25.00 O ATOM 0 H GLY A 34 12.913 -6.128 14.271 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.273 -7.346 12.384 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.679 -8.382 12.536 1.00 25.00 H new ATOM 493 N ASP A 35 11.691 -8.566 15.099 1.00 25.00 N ATOM 494 CA ASP A 35 10.786 -9.407 15.898 1.00 25.00 C ATOM 495 C ASP A 35 9.362 -9.391 15.304 1.00 25.00 C ATOM 496 O ASP A 35 8.606 -10.355 15.459 1.00 25.00 O ATOM 497 CB ASP A 35 10.773 -8.918 17.357 1.00 25.00 C ATOM 498 CG ASP A 35 10.238 -7.503 17.513 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.932 -6.555 17.086 1.00 25.00 O ATOM 500 OD2 ASP A 35 9.125 -7.345 18.058 1.00 25.00 O ATOM 0 H ASP A 35 12.001 -7.721 15.578 1.00 25.00 H new ATOM 0 HA ASP A 35 11.147 -10.435 15.875 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.165 -9.597 17.955 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.786 -8.962 17.757 1.00 25.00 H new ATOM 505 N LYS A 36 9.022 -8.284 14.630 1.00 25.00 N ATOM 506 CA LYS A 36 7.756 -8.154 13.908 1.00 25.00 C ATOM 507 C LYS A 36 8.027 -8.148 12.406 1.00 25.00 C ATOM 508 O LYS A 36 9.021 -7.573 11.955 1.00 25.00 O ATOM 509 CB LYS A 36 7.037 -6.868 14.325 1.00 25.00 C ATOM 510 CG LYS A 36 6.564 -6.847 15.759 1.00 25.00 C ATOM 511 CD LYS A 36 5.784 -5.577 16.020 1.00 25.00 C ATOM 512 CE LYS A 36 6.162 -4.935 17.347 1.00 25.00 C ATOM 513 NZ LYS A 36 7.631 -4.960 17.599 1.00 25.00 N ATOM 0 H LYS A 36 9.617 -7.458 14.572 1.00 25.00 H new ATOM 0 HA LYS A 36 7.114 -9.000 14.153 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.708 -6.024 14.166 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.178 -6.720 13.671 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.938 -7.717 15.958 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.417 -6.906 16.434 1.00 25.00 H new ATOM 0 HD2 LYS A 36 5.964 -4.869 15.211 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.717 -5.800 16.017 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.813 -3.903 17.359 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.649 -5.455 18.157 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 7.871 -4.253 18.323 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.910 -5.905 17.932 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 8.138 -4.740 16.718 1.00 25.00 H new ATOM 527 N VAL A 37 7.146 -8.791 11.640 1.00 25.00 N ATOM 528 CA VAL A 37 7.355 -8.943 10.194 1.00 25.00 C ATOM 529 C VAL A 37 6.017 -8.994 9.415 1.00 25.00 C ATOM 530 O VAL A 37 5.072 -9.674 9.826 1.00 25.00 O ATOM 531 CB VAL A 37 8.264 -10.191 9.890 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.634 -11.513 10.342 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.660 -10.250 8.416 1.00 25.00 C ATOM 0 H VAL A 37 6.286 -9.213 11.990 1.00 25.00 H new ATOM 0 HA VAL A 37 7.881 -8.056 9.840 1.00 25.00 H new ATOM 0 HB VAL A 37 9.169 -10.057 10.482 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.308 -12.337 10.106 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.460 -11.484 11.418 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.686 -11.660 9.825 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.287 -11.124 8.243 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.763 -10.319 7.801 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.213 -9.349 8.151 1.00 25.00 H new ATOM 543 N HIS A 38 5.969 -8.254 8.296 1.00 25.00 N ATOM 544 CA HIS A 38 4.818 -8.254 7.380 1.00 25.00 C ATOM 545 C HIS A 38 5.310 -8.496 5.942 1.00 25.00 C ATOM 546 O HIS A 38 6.417 -8.083 5.588 1.00 25.00 O ATOM 547 CB HIS A 38 4.054 -6.920 7.480 1.00 25.00 C ATOM 548 CG HIS A 38 3.307 -6.727 8.770 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.701 -6.204 9.956 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 1.988 -7.098 8.938 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 2.626 -6.267 10.808 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.605 -6.809 10.170 1.00 25.00 N flip ATOM 0 H HIS A 38 6.727 -7.639 8.001 1.00 25.00 H new ATOM 0 HA HIS A 38 4.133 -9.055 7.659 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.762 -6.100 7.358 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.348 -6.857 6.652 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.625 -5.832 10.175 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.366 -7.553 8.181 1.00 25.00 H new ATOM 0 HE1 HIS A 38 2.617 -5.928 11.833 1.00 25.00 H new ATOM 561 N THR A 39 4.483 -9.164 5.122 1.00 25.00 N ATOM 562 CA THR A 39 4.896 -9.575 3.773 1.00 25.00 C ATOM 563 C THR A 39 3.869 -9.158 2.700 1.00 25.00 C ATOM 564 O THR A 39 2.669 -9.413 2.844 1.00 25.00 O ATOM 565 CB THR A 39 5.126 -11.112 3.733 1.00 25.00 C ATOM 566 OG1 THR A 39 6.110 -11.479 4.708 1.00 25.00 O ATOM 567 CG2 THR A 39 5.600 -11.592 2.366 1.00 25.00 C ATOM 0 H THR A 39 3.530 -9.429 5.369 1.00 25.00 H new ATOM 0 HA THR A 39 5.830 -9.062 3.543 1.00 25.00 H new ATOM 0 HB THR A 39 4.167 -11.583 3.948 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.251 -12.448 4.681 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.746 -12.672 2.390 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.851 -11.344 1.614 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.542 -11.104 2.115 1.00 25.00 H new ATOM 575 N VAL A 40 4.367 -8.511 1.629 1.00 25.00 N ATOM 576 CA VAL A 40 3.548 -8.127 0.472 1.00 25.00 C ATOM 577 C VAL A 40 4.027 -8.862 -0.807 1.00 25.00 C ATOM 578 O VAL A 40 5.067 -8.523 -1.364 1.00 25.00 O ATOM 579 CB VAL A 40 3.619 -6.569 0.289 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.822 -6.044 -0.909 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.158 -5.854 1.546 1.00 25.00 C ATOM 0 H VAL A 40 5.347 -8.242 1.545 1.00 25.00 H new ATOM 0 HA VAL A 40 2.512 -8.419 0.646 1.00 25.00 H new ATOM 0 HB VAL A 40 4.669 -6.354 0.093 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.922 -4.960 -0.966 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.205 -6.492 -1.826 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.771 -6.305 -0.789 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.217 -4.776 1.394 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.128 -6.134 1.767 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.798 -6.138 2.381 1.00 25.00 H new ATOM 591 N VAL A 41 3.240 -9.843 -1.284 1.00 25.00 N ATOM 592 CA VAL A 41 3.519 -10.525 -2.561 1.00 25.00 C ATOM 593 C VAL A 41 3.017 -9.632 -3.709 1.00 25.00 C ATOM 594 O VAL A 41 1.838 -9.279 -3.750 1.00 25.00 O ATOM 595 CB VAL A 41 2.843 -11.936 -2.627 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.074 -12.614 -3.981 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.363 -12.841 -1.514 1.00 25.00 C ATOM 0 H VAL A 41 2.406 -10.181 -0.804 1.00 25.00 H new ATOM 0 HA VAL A 41 4.593 -10.686 -2.649 1.00 25.00 H new ATOM 0 HB VAL A 41 1.772 -11.780 -2.497 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.589 -13.590 -3.986 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.653 -11.996 -4.774 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.144 -12.739 -4.147 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.879 -13.815 -1.581 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.441 -12.964 -1.619 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.141 -12.391 -0.546 1.00 25.00 H new ATOM 607 N LEU A 42 3.917 -9.265 -4.627 1.00 25.00 N ATOM 608 CA LEU A 42 3.605 -8.245 -5.645 1.00 25.00 C ATOM 609 C LEU A 42 2.776 -8.785 -6.818 1.00 25.00 C ATOM 610 O LEU A 42 2.148 -8.000 -7.537 1.00 25.00 O ATOM 611 CB LEU A 42 4.878 -7.558 -6.200 1.00 25.00 C ATOM 612 CG LEU A 42 5.615 -6.530 -5.297 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.653 -5.762 -4.405 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.698 -7.181 -4.452 1.00 25.00 C ATOM 0 H LEU A 42 4.859 -9.652 -4.690 1.00 25.00 H new ATOM 0 HA LEU A 42 3.000 -7.509 -5.115 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.590 -8.340 -6.462 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.605 -7.052 -7.126 1.00 25.00 H new ATOM 0 HG LEU A 42 6.092 -5.823 -5.976 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.211 -5.055 -3.791 1.00 25.00 H new ATOM 0 HD12 LEU A 42 3.938 -5.220 -5.023 1.00 25.00 H new ATOM 0 HD13 LEU A 42 4.119 -6.460 -3.760 1.00 25.00 H new ATOM 0 HD21 LEU A 42 7.185 -6.423 -3.838 1.00 25.00 H new ATOM 0 HD22 LEU A 42 6.251 -7.938 -3.808 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.436 -7.649 -5.104 1.00 25.00 H new ATOM 626 N SER A 43 2.766 -10.115 -7.013 1.00 25.00 N ATOM 627 CA SER A 43 1.878 -10.748 -8.008 1.00 25.00 C ATOM 628 C SER A 43 0.407 -10.667 -7.548 1.00 25.00 C ATOM 629 O SER A 43 -0.507 -11.102 -8.255 1.00 25.00 O ATOM 630 CB SER A 43 2.303 -12.207 -8.250 1.00 25.00 C ATOM 631 OG SER A 43 2.038 -13.025 -7.120 1.00 25.00 O ATOM 0 H SER A 43 3.357 -10.769 -6.500 1.00 25.00 H new ATOM 0 HA SER A 43 1.965 -10.208 -8.951 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.773 -12.601 -9.117 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.367 -12.242 -8.483 1.00 25.00 H new ATOM 0 HG SER A 43 2.318 -13.945 -7.309 1.00 25.00 H new ATOM 637 N THR A 44 0.211 -10.093 -6.351 1.00 25.00 N ATOM 638 CA THR A 44 -1.118 -9.847 -5.788 1.00 25.00 C ATOM 639 C THR A 44 -1.369 -8.330 -5.660 1.00 25.00 C ATOM 640 O THR A 44 -2.397 -7.901 -5.127 1.00 25.00 O ATOM 641 CB THR A 44 -1.290 -10.522 -4.395 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.414 -9.929 -3.426 1.00 25.00 O ATOM 643 CG2 THR A 44 -1.008 -12.018 -4.457 1.00 25.00 C ATOM 0 H THR A 44 0.974 -9.787 -5.748 1.00 25.00 H new ATOM 0 HA THR A 44 -1.847 -10.286 -6.469 1.00 25.00 H new ATOM 0 HB THR A 44 -2.327 -10.367 -4.098 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.507 -9.955 -3.759 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.138 -12.454 -3.467 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.699 -12.490 -5.155 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.016 -12.182 -4.794 1.00 25.00 H new ATOM 651 N ILE A 45 -0.409 -7.538 -6.164 1.00 25.00 N ATOM 652 CA ILE A 45 -0.453 -6.070 -6.100 1.00 25.00 C ATOM 653 C ILE A 45 -0.623 -5.490 -7.514 1.00 25.00 C ATOM 654 O ILE A 45 -0.007 -5.971 -8.469 1.00 25.00 O ATOM 655 CB ILE A 45 0.852 -5.511 -5.423 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.037 -6.081 -3.983 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.900 -3.974 -5.412 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.051 -5.726 -2.963 1.00 25.00 C ATOM 0 H ILE A 45 0.423 -7.901 -6.629 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.306 -5.767 -5.493 1.00 25.00 H new ATOM 0 HB ILE A 45 1.686 -5.853 -6.036 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.100 -7.167 -4.051 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.994 -5.730 -3.597 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.821 -3.642 -4.933 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.868 -3.602 -6.436 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.044 -3.587 -4.859 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.190 -6.180 -2.002 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.105 -4.643 -2.850 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.013 -6.103 -3.311 1.00 25.00 H new ATOM 670 N ASP A 46 -1.461 -4.450 -7.622 1.00 25.00 N ATOM 671 CA ASP A 46 -1.773 -3.823 -8.911 1.00 25.00 C ATOM 672 C ASP A 46 -1.136 -2.425 -9.029 1.00 25.00 C ATOM 673 O ASP A 46 -0.569 -2.093 -10.073 1.00 25.00 O ATOM 674 CB ASP A 46 -3.302 -3.750 -9.094 1.00 25.00 C ATOM 675 CG ASP A 46 -3.729 -3.194 -10.445 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.425 -3.834 -11.475 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.366 -2.120 -10.472 1.00 25.00 O ATOM 0 H ASP A 46 -1.937 -4.024 -6.827 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.348 -4.436 -9.706 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.722 -4.748 -8.972 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.725 -3.128 -8.305 1.00 25.00 H new ATOM 682 N LYS A 47 -1.236 -1.614 -7.960 1.00 25.00 N ATOM 683 CA LYS A 47 -0.728 -0.248 -7.971 1.00 25.00 C ATOM 684 C LYS A 47 0.121 0.070 -6.734 1.00 25.00 C ATOM 685 O LYS A 47 0.134 -0.688 -5.763 1.00 25.00 O ATOM 686 CB LYS A 47 -1.902 0.730 -8.041 1.00 25.00 C ATOM 687 CG LYS A 47 -2.672 0.639 -9.329 1.00 25.00 C ATOM 688 CD LYS A 47 -3.789 1.686 -9.446 1.00 25.00 C ATOM 689 CE LYS A 47 -4.495 1.651 -10.802 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.320 0.424 -10.974 1.00 25.00 N ATOM 0 H LYS A 47 -1.668 -1.891 -7.078 1.00 25.00 H new ATOM 0 HA LYS A 47 -0.087 -0.145 -8.847 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.577 0.538 -7.207 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.528 1.746 -7.920 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.983 0.759 -10.165 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -3.107 -0.357 -9.414 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.521 1.519 -8.656 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.368 2.679 -9.286 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -5.130 2.531 -10.902 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -3.752 1.702 -11.598 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.670 0.375 -11.952 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -4.740 -0.415 -10.771 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -6.127 0.454 -10.319 1.00 25.00 H new ATOM 704 N LEU A 48 0.845 1.208 -6.802 1.00 25.00 N ATOM 705 CA LEU A 48 1.704 1.693 -5.702 1.00 25.00 C ATOM 706 C LEU A 48 1.727 3.225 -5.729 1.00 25.00 C ATOM 707 O LEU A 48 2.038 3.821 -6.766 1.00 25.00 O ATOM 708 CB LEU A 48 3.153 1.164 -5.834 1.00 25.00 C ATOM 709 CG LEU A 48 3.307 -0.185 -6.531 1.00 25.00 C ATOM 710 CD1 LEU A 48 2.979 -0.075 -8.012 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.706 -0.698 -6.349 1.00 25.00 C ATOM 0 H LEU A 48 0.850 1.816 -7.621 1.00 25.00 H new ATOM 0 HA LEU A 48 1.294 1.327 -4.761 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.741 1.902 -6.379 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.584 1.087 -4.836 1.00 25.00 H new ATOM 0 HG LEU A 48 2.605 -0.886 -6.079 1.00 25.00 H new ATOM 0 HD11 LEU A 48 3.097 -1.050 -8.484 1.00 25.00 H new ATOM 0 HD12 LEU A 48 1.950 0.265 -8.133 1.00 25.00 H new ATOM 0 HD13 LEU A 48 3.654 0.640 -8.482 1.00 25.00 H new ATOM 0 HD21 LEU A 48 4.808 -1.661 -6.849 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.413 0.011 -6.780 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.914 -0.817 -5.286 1.00 25.00 H new ATOM 723 N GLN A 49 1.390 3.863 -4.600 1.00 25.00 N ATOM 724 CA GLN A 49 1.298 5.333 -4.539 1.00 25.00 C ATOM 725 C GLN A 49 2.081 5.884 -3.341 1.00 25.00 C ATOM 726 O GLN A 49 1.819 5.507 -2.204 1.00 25.00 O ATOM 727 CB GLN A 49 -0.183 5.783 -4.474 1.00 25.00 C ATOM 728 CG GLN A 49 -1.001 5.457 -5.737 1.00 25.00 C ATOM 729 CD GLN A 49 -0.446 6.045 -7.038 1.00 25.00 C ATOM 730 OE1 GLN A 49 0.243 7.065 -7.013 1.00 25.00 O ATOM 731 NE2 GLN A 49 -0.728 5.412 -8.174 1.00 25.00 N ATOM 0 H GLN A 49 1.177 3.391 -3.721 1.00 25.00 H new ATOM 0 HA GLN A 49 1.743 5.737 -5.448 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.657 5.308 -3.615 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.216 6.859 -4.302 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -1.062 4.374 -5.843 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -2.019 5.821 -5.596 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -1.302 4.569 -8.159 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -0.370 5.770 -9.060 1.00 25.00 H new ATOM 740 N ALA A 50 3.043 6.783 -3.607 1.00 25.00 N ATOM 741 CA ALA A 50 3.904 7.346 -2.552 1.00 25.00 C ATOM 742 C ALA A 50 3.700 8.857 -2.367 1.00 25.00 C ATOM 743 O ALA A 50 3.272 9.555 -3.291 1.00 25.00 O ATOM 744 CB ALA A 50 5.363 7.048 -2.873 1.00 25.00 C ATOM 0 H ALA A 50 3.244 7.136 -4.543 1.00 25.00 H new ATOM 0 HA ALA A 50 3.623 6.872 -1.611 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.000 7.465 -2.092 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.511 5.969 -2.925 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.624 7.497 -3.832 1.00 25.00 H new ATOM 750 N THR A 51 4.018 9.344 -1.147 1.00 25.00 N ATOM 751 CA THR A 51 3.976 10.784 -0.802 1.00 25.00 C ATOM 752 C THR A 51 5.028 11.586 -1.607 1.00 25.00 C ATOM 753 O THR A 51 6.224 11.299 -1.495 1.00 25.00 O ATOM 754 CB THR A 51 4.240 11.014 0.710 1.00 25.00 C ATOM 755 OG1 THR A 51 5.445 10.349 1.109 1.00 25.00 O ATOM 756 CG2 THR A 51 3.087 10.505 1.564 1.00 25.00 C ATOM 0 H THR A 51 4.312 8.749 -0.372 1.00 25.00 H new ATOM 0 HA THR A 51 2.975 11.133 -1.055 1.00 25.00 H new ATOM 0 HB THR A 51 4.338 12.089 0.863 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.073 10.331 0.357 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.308 10.683 2.616 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.172 11.031 1.291 1.00 25.00 H new ATOM 0 HG23 THR A 51 2.955 9.436 1.397 1.00 25.00 H new ATOM 764 N PRO A 52 4.603 12.595 -2.447 1.00 25.00 N ATOM 765 CA PRO A 52 5.539 13.479 -3.197 1.00 25.00 C ATOM 766 C PRO A 52 6.640 14.098 -2.320 1.00 25.00 C ATOM 767 O PRO A 52 6.555 14.074 -1.095 1.00 25.00 O ATOM 768 CB PRO A 52 4.629 14.593 -3.725 1.00 25.00 C ATOM 769 CG PRO A 52 3.261 14.008 -3.775 1.00 25.00 C ATOM 770 CD PRO A 52 3.186 12.927 -2.759 1.00 25.00 C ATOM 0 HA PRO A 52 6.071 12.915 -3.963 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.658 15.465 -3.071 1.00 25.00 H new ATOM 0 HB3 PRO A 52 4.949 14.924 -4.713 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.512 14.773 -3.573 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.052 13.612 -4.769 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.653 13.259 -1.868 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.653 12.058 -3.145 1.00 25.00 H new ATOM 778 N ALA A 53 7.673 14.660 -2.966 1.00 25.00 N ATOM 779 CA ALA A 53 8.777 15.325 -2.254 1.00 25.00 C ATOM 780 C ALA A 53 8.365 16.707 -1.722 1.00 25.00 C ATOM 781 O ALA A 53 9.142 17.373 -1.027 1.00 25.00 O ATOM 782 CB ALA A 53 9.996 15.432 -3.161 1.00 25.00 C ATOM 0 H ALA A 53 7.768 14.668 -3.982 1.00 25.00 H new ATOM 0 HA ALA A 53 9.034 14.714 -1.389 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.806 15.925 -2.625 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.315 14.434 -3.462 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.740 16.013 -4.047 1.00 25.00 H new ATOM 788 N SER A 54 7.136 17.121 -2.061 1.00 25.00 N ATOM 789 CA SER A 54 6.554 18.374 -1.573 1.00 25.00 C ATOM 790 C SER A 54 5.533 18.124 -0.455 1.00 25.00 C ATOM 791 O SER A 54 5.190 19.042 0.296 1.00 25.00 O ATOM 792 CB SER A 54 5.883 19.118 -2.723 1.00 25.00 C ATOM 793 OG SER A 54 4.798 18.376 -3.254 1.00 25.00 O ATOM 0 H SER A 54 6.520 16.595 -2.681 1.00 25.00 H new ATOM 0 HA SER A 54 7.363 18.980 -1.164 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.527 20.087 -2.373 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.613 19.311 -3.509 1.00 25.00 H new ATOM 0 HG SER A 54 4.386 18.878 -3.988 1.00 25.00 H new ATOM 799 N SER A 55 5.056 16.871 -0.356 1.00 25.00 N ATOM 800 CA SER A 55 4.058 16.464 0.649 1.00 25.00 C ATOM 801 C SER A 55 4.591 16.577 2.082 1.00 25.00 C ATOM 802 O SER A 55 5.772 16.329 2.344 1.00 25.00 O ATOM 803 CB SER A 55 3.588 15.025 0.385 1.00 25.00 C ATOM 804 OG SER A 55 2.653 14.592 1.343 1.00 25.00 O ATOM 0 H SER A 55 5.351 16.112 -0.970 1.00 25.00 H new ATOM 0 HA SER A 55 3.217 17.150 0.554 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.143 14.965 -0.608 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.448 14.356 0.390 1.00 25.00 H new ATOM 0 HG SER A 55 2.081 15.343 1.604 1.00 25.00 H new ATOM 810 N GLU A 56 3.689 16.965 2.997 1.00 25.00 N ATOM 811 CA GLU A 56 3.962 16.999 4.446 1.00 25.00 C ATOM 812 C GLU A 56 4.200 15.598 5.003 1.00 25.00 C ATOM 813 O GLU A 56 4.847 15.417 6.037 1.00 25.00 O ATOM 814 CB GLU A 56 2.775 17.608 5.175 1.00 25.00 C ATOM 815 CG GLU A 56 1.437 17.011 4.789 1.00 25.00 C ATOM 816 CD GLU A 56 0.939 17.453 3.419 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.962 18.670 3.143 1.00 25.00 O ATOM 818 OE2 GLU A 56 0.528 16.579 2.627 1.00 25.00 O ATOM 0 H GLU A 56 2.745 17.266 2.754 1.00 25.00 H new ATOM 0 HA GLU A 56 4.860 17.598 4.599 1.00 25.00 H new ATOM 0 HB2 GLU A 56 2.919 17.484 6.248 1.00 25.00 H new ATOM 0 HB3 GLU A 56 2.753 18.680 4.978 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.517 15.924 4.803 1.00 25.00 H new ATOM 0 HG3 GLU A 56 0.697 17.286 5.540 1.00 25.00 H new ATOM 825 N LYS A 57 3.648 14.629 4.282 1.00 25.00 N ATOM 826 CA LYS A 57 3.646 13.233 4.666 1.00 25.00 C ATOM 827 C LYS A 57 4.861 12.480 4.147 1.00 25.00 C ATOM 828 O LYS A 57 5.347 12.741 3.042 1.00 25.00 O ATOM 829 CB LYS A 57 2.377 12.590 4.119 1.00 25.00 C ATOM 830 CG LYS A 57 1.294 12.323 5.146 1.00 25.00 C ATOM 831 CD LYS A 57 1.571 11.115 6.014 1.00 25.00 C ATOM 832 CE LYS A 57 0.469 10.971 7.033 1.00 25.00 C ATOM 833 NZ LYS A 57 -0.871 10.838 6.399 1.00 25.00 N ATOM 0 H LYS A 57 3.179 14.803 3.393 1.00 25.00 H new ATOM 0 HA LYS A 57 3.682 13.180 5.754 1.00 25.00 H new ATOM 0 HB2 LYS A 57 1.967 13.236 3.342 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.643 11.647 3.642 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.184 13.201 5.783 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.344 12.181 4.632 1.00 25.00 H new ATOM 0 HD2 LYS A 57 1.633 10.217 5.399 1.00 25.00 H new ATOM 0 HD3 LYS A 57 2.533 11.225 6.515 1.00 25.00 H new ATOM 0 HE2 LYS A 57 0.663 10.097 7.654 1.00 25.00 H new ATOM 0 HE3 LYS A 57 0.472 11.838 7.693 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -1.543 10.444 7.088 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -1.202 11.773 6.088 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.805 10.204 5.578 1.00 25.00 H new ATOM 847 N MET A 58 5.347 11.552 4.973 1.00 25.00 N ATOM 848 CA MET A 58 6.361 10.594 4.551 1.00 25.00 C ATOM 849 C MET A 58 5.770 9.193 4.617 1.00 25.00 C ATOM 850 O MET A 58 5.751 8.561 5.679 1.00 25.00 O ATOM 851 CB MET A 58 7.595 10.697 5.456 1.00 25.00 C ATOM 852 CG MET A 58 8.174 12.104 5.548 1.00 25.00 C ATOM 853 SD MET A 58 9.637 12.198 6.609 1.00 25.00 S ATOM 854 CE MET A 58 8.914 12.052 8.244 1.00 25.00 C ATOM 0 H MET A 58 5.050 11.446 5.943 1.00 25.00 H new ATOM 0 HA MET A 58 6.671 10.811 3.529 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.329 10.357 6.457 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.365 10.021 5.084 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.434 12.450 4.548 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.410 12.781 5.931 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.683 12.218 8.998 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.125 12.795 8.361 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.494 11.054 8.368 1.00 25.00 H new ATOM 864 N MET A 59 5.283 8.709 3.464 1.00 25.00 N ATOM 865 CA MET A 59 4.579 7.430 3.385 1.00 25.00 C ATOM 866 C MET A 59 4.645 6.820 1.983 1.00 25.00 C ATOM 867 O MET A 59 4.952 7.507 1.003 1.00 25.00 O ATOM 868 CB MET A 59 3.113 7.623 3.791 1.00 25.00 C ATOM 869 CG MET A 59 2.868 7.734 5.294 1.00 25.00 C ATOM 870 SD MET A 59 1.108 7.668 5.766 1.00 25.00 S ATOM 871 CE MET A 59 1.090 6.736 7.308 1.00 25.00 C ATOM 0 H MET A 59 5.368 9.192 2.570 1.00 25.00 H new ATOM 0 HA MET A 59 5.073 6.740 4.069 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.734 8.524 3.309 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.532 6.786 3.404 1.00 25.00 H new ATOM 0 HG2 MET A 59 3.399 6.927 5.799 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.295 8.670 5.653 1.00 25.00 H new ATOM 0 HE1 MET A 59 0.065 6.647 7.667 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.503 5.742 7.137 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.692 7.255 8.054 1.00 25.00 H new ATOM 881 N LEU A 60 4.349 5.514 1.915 1.00 25.00 N ATOM 882 CA LEU A 60 4.353 4.755 0.666 1.00 25.00 C ATOM 883 C LEU A 60 3.196 3.751 0.673 1.00 25.00 C ATOM 884 O LEU A 60 3.137 2.870 1.533 1.00 25.00 O ATOM 885 CB LEU A 60 5.700 4.023 0.511 1.00 25.00 C ATOM 886 CG LEU A 60 5.764 2.894 -0.533 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.883 3.468 -1.919 1.00 25.00 C ATOM 888 CD2 LEU A 60 6.924 1.942 -0.304 1.00 25.00 C ATOM 0 H LEU A 60 4.099 4.956 2.732 1.00 25.00 H new ATOM 0 HA LEU A 60 4.224 5.434 -0.177 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.460 4.762 0.258 1.00 25.00 H new ATOM 0 HB3 LEU A 60 5.972 3.605 1.480 1.00 25.00 H new ATOM 0 HG LEU A 60 4.837 2.330 -0.427 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.927 2.657 -2.646 1.00 25.00 H new ATOM 0 HD12 LEU A 60 5.017 4.096 -2.128 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.791 4.067 -1.988 1.00 25.00 H new ATOM 0 HD21 LEU A 60 6.916 1.168 -1.071 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.863 2.494 -0.354 1.00 25.00 H new ATOM 0 HD23 LEU A 60 6.827 1.480 0.678 1.00 25.00 H new ATOM 900 N ARG A 61 2.290 3.880 -0.301 1.00 25.00 N ATOM 901 CA ARG A 61 1.092 3.034 -0.370 1.00 25.00 C ATOM 902 C ARG A 61 1.265 1.905 -1.387 1.00 25.00 C ATOM 903 O ARG A 61 1.938 2.068 -2.409 1.00 25.00 O ATOM 904 CB ARG A 61 -0.150 3.871 -0.738 1.00 25.00 C ATOM 905 CG ARG A 61 -1.468 3.107 -0.731 1.00 25.00 C ATOM 906 CD ARG A 61 -2.697 4.007 -0.792 1.00 25.00 C ATOM 907 NE ARG A 61 -2.885 4.629 -2.105 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.851 5.522 -2.384 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.742 5.885 -1.461 1.00 25.00 N ATOM 910 NH2 ARG A 61 -3.928 6.053 -3.594 1.00 25.00 N ATOM 0 H ARG A 61 2.363 4.563 -1.055 1.00 25.00 H new ATOM 0 HA ARG A 61 0.949 2.595 0.617 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.227 4.705 -0.040 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.001 4.298 -1.730 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -1.486 2.424 -1.580 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -1.520 2.497 0.171 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -3.582 3.422 -0.543 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -2.608 4.787 -0.036 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.243 4.369 -2.854 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -4.698 5.484 -0.524 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -5.467 6.564 -1.692 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.256 5.785 -4.312 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -4.660 6.731 -3.808 1.00 25.00 H new ATOM 924 N LEU A 62 0.647 0.763 -1.081 1.00 25.00 N ATOM 925 CA LEU A 62 0.694 -0.428 -1.928 1.00 25.00 C ATOM 926 C LEU A 62 -0.728 -0.933 -2.204 1.00 25.00 C ATOM 927 O LEU A 62 -1.364 -1.544 -1.341 1.00 25.00 O ATOM 928 CB LEU A 62 1.531 -1.524 -1.230 1.00 25.00 C ATOM 929 CG LEU A 62 3.060 -1.577 -1.484 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.353 -1.670 -2.967 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.806 -0.393 -0.868 1.00 25.00 C ATOM 0 H LEU A 62 0.096 0.639 -0.232 1.00 25.00 H new ATOM 0 HA LEU A 62 1.161 -0.178 -2.880 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.379 -1.420 -0.156 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.116 -2.489 -1.519 1.00 25.00 H new ATOM 0 HG LEU A 62 3.426 -2.476 -0.988 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.431 -1.706 -3.123 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.897 -2.574 -3.372 1.00 25.00 H new ATOM 0 HD13 LEU A 62 2.942 -0.797 -3.475 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.872 -0.485 -1.079 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.430 0.536 -1.296 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.649 -0.385 0.211 1.00 25.00 H new ATOM 943 N ILE A 63 -1.209 -0.683 -3.423 1.00 25.00 N ATOM 944 CA ILE A 63 -2.592 -1.000 -3.814 1.00 25.00 C ATOM 945 C ILE A 63 -2.673 -2.462 -4.284 1.00 25.00 C ATOM 946 O ILE A 63 -1.807 -2.932 -5.023 1.00 25.00 O ATOM 947 CB ILE A 63 -3.107 -0.033 -4.942 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.312 1.428 -4.458 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.418 -0.525 -5.558 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.595 2.440 -5.548 1.00 25.00 C ATOM 0 H ILE A 63 -0.657 -0.257 -4.167 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.234 -0.862 -2.944 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.316 -0.038 -5.691 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -4.138 1.445 -3.747 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.419 1.742 -3.917 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.740 0.171 -6.333 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.266 -1.511 -5.996 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.183 -0.586 -4.784 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.722 3.427 -5.104 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.761 2.462 -6.249 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.506 2.160 -6.077 1.00 25.00 H new ATOM 962 N GLY A 64 -3.735 -3.155 -3.861 1.00 25.00 N ATOM 963 CA GLY A 64 -3.855 -4.585 -4.098 1.00 25.00 C ATOM 964 C GLY A 64 -4.700 -4.940 -5.307 1.00 25.00 C ATOM 965 O GLY A 64 -5.465 -4.113 -5.811 1.00 25.00 O ATOM 0 H GLY A 64 -4.519 -2.744 -3.354 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.858 -5.007 -4.227 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.287 -5.055 -3.214 1.00 25.00 H new ATOM 969 N LYS A 65 -4.546 -6.190 -5.762 1.00 25.00 N ATOM 970 CA LYS A 65 -5.324 -6.736 -6.877 1.00 25.00 C ATOM 971 C LYS A 65 -6.700 -7.200 -6.402 1.00 25.00 C ATOM 972 O LYS A 65 -6.813 -7.931 -5.412 1.00 25.00 O ATOM 973 CB LYS A 65 -4.554 -7.882 -7.531 1.00 25.00 C ATOM 974 CG LYS A 65 -3.629 -7.405 -8.634 1.00 25.00 C ATOM 975 CD LYS A 65 -2.720 -8.510 -9.126 1.00 25.00 C ATOM 976 CE LYS A 65 -1.995 -8.098 -10.399 1.00 25.00 C ATOM 977 NZ LYS A 65 -1.196 -9.209 -10.980 1.00 25.00 N ATOM 0 H LYS A 65 -3.877 -6.850 -5.366 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.479 -5.952 -7.618 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.971 -8.403 -6.772 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -5.261 -8.603 -7.941 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -4.222 -7.025 -9.466 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -3.025 -6.575 -8.268 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -1.992 -8.757 -8.353 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -3.305 -9.410 -9.312 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -2.723 -7.755 -11.134 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -1.338 -7.255 -10.183 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -0.346 -8.823 -11.438 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -0.915 -9.866 -10.225 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -1.768 -9.716 -11.685 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.239 -9.077 -7.787 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.626 -8.590 -7.857 1.00 25.00 C ATOM 1021 C GLU A 68 -15.612 -9.686 -8.296 1.00 25.00 C ATOM 1022 O GLU A 68 -16.819 -9.444 -8.367 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.728 -7.372 -8.789 1.00 25.00 C ATOM 1024 CG GLU A 68 -14.005 -6.129 -8.275 1.00 25.00 C ATOM 1025 CD GLU A 68 -14.363 -4.880 -9.060 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -14.964 -5.014 -10.145 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -14.042 -3.770 -8.586 1.00 25.00 O ATOM 0 HA GLU A 68 -14.907 -8.290 -6.848 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -14.320 -7.639 -9.764 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -15.780 -7.131 -8.939 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -14.253 -5.977 -7.225 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -12.928 -6.291 -8.328 1.00 25.00 H new ATOM 1034 N SER A 69 -15.093 -10.892 -8.585 1.00 25.00 N ATOM 1035 CA SER A 69 -15.935 -12.047 -8.952 1.00 25.00 C ATOM 1036 C SER A 69 -16.621 -12.666 -7.717 1.00 25.00 C ATOM 1037 O SER A 69 -17.378 -13.637 -7.829 1.00 25.00 O ATOM 1038 CB SER A 69 -15.091 -13.103 -9.682 1.00 25.00 C ATOM 1039 OG SER A 69 -14.119 -13.675 -8.822 1.00 25.00 O ATOM 0 H SER A 69 -14.093 -11.094 -8.572 1.00 25.00 H new ATOM 0 HA SER A 69 -16.720 -11.691 -9.620 1.00 25.00 H new ATOM 0 HB2 SER A 69 -15.742 -13.887 -10.070 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.597 -12.646 -10.539 1.00 25.00 H new ATOM 0 HG SER A 69 -13.599 -14.344 -9.315 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.349 -12.072 -6.549 1.00 25.00 N ATOM 1046 CA LYS A 70 -16.916 -12.507 -5.267 1.00 25.00 C ATOM 1047 C LYS A 70 -17.938 -11.473 -4.745 1.00 25.00 C ATOM 1048 O LYS A 70 -18.056 -11.243 -3.533 1.00 25.00 O ATOM 1049 CB LYS A 70 -15.781 -12.700 -4.246 1.00 25.00 C ATOM 1050 CG LYS A 70 -14.904 -13.915 -4.548 1.00 25.00 C ATOM 1051 CD LYS A 70 -13.828 -14.158 -3.482 1.00 25.00 C ATOM 1052 CE LYS A 70 -12.976 -15.409 -3.736 1.00 25.00 C ATOM 1053 NZ LYS A 70 -11.832 -15.527 -2.788 1.00 25.00 N ATOM 0 H LYS A 70 -15.724 -11.270 -6.466 1.00 25.00 H new ATOM 0 HA LYS A 70 -17.437 -13.454 -5.411 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -15.159 -11.805 -4.230 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -16.211 -12.808 -3.250 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -15.535 -14.800 -4.628 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -14.423 -13.777 -5.517 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -13.174 -13.288 -3.435 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -14.309 -14.249 -2.508 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -13.605 -16.295 -3.652 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -12.595 -15.383 -4.757 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -11.290 -16.388 -3.003 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -11.214 -14.696 -2.884 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -12.192 -15.579 -1.814 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.675 -10.871 -5.684 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.634 -9.771 -5.408 1.00 25.00 C ATOM 1069 C LYS A 71 -20.518 -10.056 -4.188 1.00 25.00 C ATOM 1070 O LYS A 71 -21.229 -11.066 -4.135 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.542 -9.528 -6.630 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.826 -9.003 -7.870 1.00 25.00 C ATOM 1073 CD LYS A 71 -20.797 -8.762 -9.014 1.00 25.00 C ATOM 1074 CE LYS A 71 -20.085 -8.283 -10.264 1.00 25.00 C ATOM 1075 NZ LYS A 71 -21.036 -8.011 -11.377 1.00 25.00 N ATOM 0 H LYS A 71 -18.630 -11.129 -6.670 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.035 -8.885 -5.197 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -21.040 -10.463 -6.885 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.320 -8.818 -6.350 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -19.310 -8.074 -7.627 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -19.065 -9.718 -8.182 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -21.337 -9.683 -9.233 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -21.539 -8.023 -8.712 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -19.524 -7.377 -10.037 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -19.362 -9.035 -10.580 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -20.509 -7.686 -12.212 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -21.554 -8.882 -11.612 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -21.710 -7.275 -11.085 1.00 25.00 H new ATOM 1089 N ARG A 72 -20.445 -9.146 -3.210 1.00 25.00 N ATOM 1090 CA ARG A 72 -21.118 -9.313 -1.926 1.00 25.00 C ATOM 1091 C ARG A 72 -22.382 -8.445 -1.873 1.00 25.00 C ATOM 1092 O ARG A 72 -22.471 -7.428 -2.563 1.00 25.00 O ATOM 1093 CB ARG A 72 -20.140 -8.936 -0.800 1.00 25.00 C ATOM 1094 CG ARG A 72 -20.721 -9.018 0.609 1.00 25.00 C ATOM 1095 CD ARG A 72 -19.631 -8.910 1.664 1.00 25.00 C ATOM 1096 NE ARG A 72 -18.926 -7.625 1.596 1.00 25.00 N ATOM 1097 CZ ARG A 72 -19.277 -6.522 2.277 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -20.332 -6.520 3.091 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -18.563 -5.414 2.138 1.00 25.00 N ATOM 0 H ARG A 72 -19.918 -8.276 -3.290 1.00 25.00 H new ATOM 0 HA ARG A 72 -21.424 -10.351 -1.799 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -19.271 -9.592 -0.858 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -19.784 -7.920 -0.972 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -21.448 -8.219 0.752 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -21.255 -9.960 0.730 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -20.071 -9.030 2.654 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -18.917 -9.723 1.532 1.00 25.00 H new ATOM 0 HE ARG A 72 -18.110 -7.565 0.987 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -20.889 -7.367 3.206 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -20.582 -5.672 3.599 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -17.754 -5.403 1.517 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -18.823 -4.572 2.652 1.00 25.00 H new ATOM 1113 N LYS A 73 -23.357 -8.867 -1.059 1.00 25.00 N ATOM 1114 CA LYS A 73 -24.599 -8.114 -0.864 1.00 25.00 C ATOM 1115 C LYS A 73 -24.841 -7.883 0.625 1.00 25.00 C ATOM 1116 O LYS A 73 -24.589 -8.768 1.450 1.00 25.00 O ATOM 1117 CB LYS A 73 -25.795 -8.846 -1.489 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.714 -8.945 -3.000 1.00 25.00 C ATOM 1119 CD LYS A 73 -26.973 -9.545 -3.595 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.849 -9.704 -5.104 1.00 25.00 C ATOM 1121 NZ LYS A 73 -28.075 -10.296 -5.715 1.00 25.00 N ATOM 0 H LYS A 73 -23.307 -9.733 -0.522 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.496 -7.151 -1.364 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -25.858 -9.850 -1.069 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -26.714 -8.327 -1.214 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.551 -7.953 -3.421 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -24.854 -9.555 -3.278 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.166 -10.516 -3.139 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -27.827 -8.908 -3.363 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.655 -8.731 -5.555 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.991 -10.337 -5.331 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.943 -10.384 -6.743 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.247 -11.236 -5.306 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.891 -9.680 -5.523 1.00 25.00 H new ATOM 1135 N ASP A 74 -25.334 -6.686 0.958 1.00 25.00 N ATOM 1136 CA ASP A 74 -25.550 -6.279 2.355 1.00 25.00 C ATOM 1137 C ASP A 74 -26.877 -6.831 2.921 1.00 25.00 C ATOM 1138 O ASP A 74 -27.532 -7.648 2.268 1.00 25.00 O ATOM 1139 CB ASP A 74 -25.472 -4.739 2.481 1.00 25.00 C ATOM 1140 CG ASP A 74 -26.525 -3.999 1.666 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -27.470 -4.655 1.179 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -26.402 -2.765 1.523 1.00 25.00 O ATOM 0 H ASP A 74 -25.594 -5.975 0.275 1.00 25.00 H new ATOM 0 HA ASP A 74 -24.754 -6.714 2.959 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -25.580 -4.464 3.530 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -24.483 -4.408 2.165 1.00 25.00 H new ATOM 1147 N ASN A 75 -27.266 -6.380 4.129 1.00 25.00 N ATOM 1148 CA ASN A 75 -28.464 -6.889 4.834 1.00 25.00 C ATOM 1149 C ASN A 75 -29.759 -6.760 4.013 1.00 25.00 C ATOM 1150 O ASN A 75 -30.653 -7.607 4.124 1.00 25.00 O ATOM 1151 CB ASN A 75 -28.639 -6.152 6.167 1.00 25.00 C ATOM 1152 CG ASN A 75 -27.619 -6.572 7.212 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -27.070 -7.673 7.152 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -27.359 -5.694 8.174 1.00 25.00 N ATOM 0 H ASN A 75 -26.764 -5.657 4.643 1.00 25.00 H new ATOM 0 HA ASN A 75 -28.292 -7.953 4.998 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -28.557 -5.079 5.997 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -29.642 -6.338 6.550 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -26.681 -5.921 8.902 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -27.837 -4.793 8.185 1.00 25.00 H new ATOM 1161 N GLU A 76 -29.840 -5.719 3.177 1.00 25.00 N ATOM 1162 CA GLU A 76 -31.055 -5.438 2.401 1.00 25.00 C ATOM 1163 C GLU A 76 -31.031 -6.123 1.026 1.00 25.00 C ATOM 1164 O GLU A 76 -32.074 -6.259 0.378 1.00 25.00 O ATOM 1165 CB GLU A 76 -31.248 -3.923 2.238 1.00 25.00 C ATOM 1166 CG GLU A 76 -31.643 -3.212 3.527 1.00 25.00 C ATOM 1167 CD GLU A 76 -31.821 -1.715 3.340 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -31.659 -1.237 2.198 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.126 -1.025 4.336 1.00 25.00 O ATOM 0 H GLU A 76 -29.080 -5.057 3.020 1.00 25.00 H new ATOM 0 HA GLU A 76 -31.898 -5.849 2.957 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -30.323 -3.486 1.862 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.015 -3.743 1.485 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -32.572 -3.640 3.903 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -30.880 -3.391 4.284 1.00 25.00 H new ATOM 1176 N GLY A 77 -29.835 -6.552 0.594 1.00 25.00 N ATOM 1177 CA GLY A 77 -29.691 -7.256 -0.676 1.00 25.00 C ATOM 1178 C GLY A 77 -29.167 -6.376 -1.799 1.00 25.00 C ATOM 1179 O GLY A 77 -29.331 -6.709 -2.975 1.00 25.00 O ATOM 0 H GLY A 77 -28.963 -6.422 1.106 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -29.015 -8.100 -0.540 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -30.658 -7.666 -0.967 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.538 -5.251 -1.433 1.00 25.00 N ATOM 1184 CA ASN A 78 -27.915 -4.348 -2.406 1.00 25.00 C ATOM 1185 C ASN A 78 -26.472 -4.775 -2.675 1.00 25.00 C ATOM 1186 O ASN A 78 -25.808 -5.328 -1.794 1.00 25.00 O ATOM 1187 CB ASN A 78 -27.951 -2.898 -1.903 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.363 -2.380 -1.692 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.149 -2.283 -2.634 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -29.688 -2.039 -0.451 1.00 25.00 N ATOM 0 H ASN A 78 -28.448 -4.945 -0.464 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.480 -4.404 -3.336 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.401 -2.831 -0.964 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.438 -2.257 -2.620 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.621 -1.680 -0.248 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.005 -2.136 0.300 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.995 -4.507 -3.898 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.670 -4.955 -4.337 1.00 25.00 C ATOM 1199 C GLU A 79 -23.562 -4.123 -3.683 1.00 25.00 C ATOM 1200 O GLU A 79 -23.463 -2.911 -3.902 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.566 -4.863 -5.868 1.00 25.00 C ATOM 1202 CG GLU A 79 -23.283 -5.422 -6.451 1.00 25.00 C ATOM 1203 CD GLU A 79 -23.278 -5.368 -7.967 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -24.272 -4.881 -8.547 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -22.281 -5.812 -8.575 1.00 25.00 O ATOM 0 H GLU A 79 -26.511 -3.980 -4.602 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.541 -5.993 -4.029 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -25.410 -5.393 -6.308 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.658 -3.818 -6.163 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -22.434 -4.858 -6.065 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -23.156 -6.454 -6.124 1.00 25.00 H new ATOM 1212 N VAL A 80 -22.746 -4.798 -2.874 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.592 -4.178 -2.233 1.00 25.00 C ATOM 1214 C VAL A 80 -20.327 -4.927 -2.639 1.00 25.00 C ATOM 1215 O VAL A 80 -20.024 -6.006 -2.115 1.00 25.00 O ATOM 1216 CB VAL A 80 -21.723 -4.103 -0.676 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -20.533 -3.369 -0.074 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.023 -3.434 -0.232 1.00 25.00 C ATOM 0 H VAL A 80 -22.867 -5.785 -2.647 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.538 -3.145 -2.577 1.00 25.00 H new ATOM 0 HB VAL A 80 -21.740 -5.130 -0.312 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -20.642 -3.327 1.010 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -19.614 -3.898 -0.326 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.490 -2.356 -0.474 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -23.065 -3.407 0.857 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.060 -2.417 -0.622 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -23.872 -4.000 -0.614 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.602 -4.344 -3.589 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.449 -5.002 -4.192 1.00 25.00 C ATOM 1230 C VAL A 81 -17.134 -4.605 -3.474 1.00 25.00 C ATOM 1231 O VAL A 81 -16.858 -3.412 -3.316 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.395 -4.741 -5.739 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.158 -5.356 -6.391 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.669 -5.201 -6.458 1.00 25.00 C ATOM 0 H VAL A 81 -19.794 -3.413 -3.959 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.562 -6.078 -4.058 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.326 -3.659 -5.851 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -17.169 -5.147 -7.461 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.261 -4.926 -5.946 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.161 -6.434 -6.232 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.578 -4.997 -7.525 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.808 -6.271 -6.304 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.528 -4.662 -6.057 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.303 -5.609 -3.023 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.038 -5.346 -2.296 1.00 25.00 C ATOM 1246 C PRO A 82 -14.019 -4.547 -3.110 1.00 25.00 C ATOM 1247 O PRO A 82 -13.781 -4.829 -4.289 1.00 25.00 O ATOM 1248 CB PRO A 82 -14.498 -6.752 -1.991 1.00 25.00 C ATOM 1249 CG PRO A 82 -15.708 -7.612 -1.979 1.00 25.00 C ATOM 1250 CD PRO A 82 -16.528 -7.077 -3.150 1.00 25.00 C ATOM 0 HA PRO A 82 -15.214 -4.734 -1.411 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -13.785 -7.078 -2.749 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -13.980 -6.780 -1.033 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.456 -8.664 -2.112 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -16.250 -7.531 -1.037 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -16.178 -7.464 -4.107 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.583 -7.339 -3.066 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.433 -3.548 -2.449 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.479 -2.627 -3.077 1.00 25.00 C ATOM 1260 C LYS A 83 -11.023 -3.084 -2.853 1.00 25.00 C ATOM 1261 O LYS A 83 -10.779 -3.926 -1.982 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.679 -1.209 -2.520 1.00 25.00 C ATOM 1263 CG LYS A 83 -14.098 -0.691 -2.634 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.564 -0.526 -4.084 1.00 25.00 C ATOM 1265 CE LYS A 83 -15.883 0.243 -4.213 1.00 25.00 C ATOM 1266 NZ LYS A 83 -17.049 -0.539 -3.707 1.00 25.00 N ATOM 0 H LYS A 83 -13.605 -3.353 -1.463 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.667 -2.626 -4.151 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.383 -1.198 -1.471 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -12.012 -0.527 -3.046 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.771 -1.376 -2.118 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -14.170 0.270 -2.124 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -13.791 -0.006 -4.650 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -14.680 -1.511 -4.535 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -15.810 1.180 -3.660 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -16.049 0.502 -5.259 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -17.848 -0.436 -4.365 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -16.788 -1.543 -3.634 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -17.324 -0.184 -2.769 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.654 -0.825 1.206 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.709 -0.966 2.322 1.00 25.00 C ATOM 1337 C HIS A 87 0.248 0.233 2.383 1.00 25.00 C ATOM 1338 O HIS A 87 1.040 0.448 1.463 1.00 25.00 O ATOM 1339 CB HIS A 87 0.097 -2.274 2.182 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.680 -3.435 1.632 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.455 -4.262 2.415 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -0.764 -3.927 0.371 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.982 -5.211 1.662 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.580 -5.029 0.418 1.00 25.00 N ATOM 0 HA HIS A 87 -1.283 -0.999 3.248 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.954 -2.089 1.535 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.490 -2.549 3.161 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.279 -3.526 -0.507 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.632 -6.002 2.006 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -1.835 -5.613 -0.379 1.00 25.00 H new ATOM 1353 N MET A 88 0.183 1.002 3.481 1.00 25.00 N ATOM 1354 CA MET A 88 1.015 2.204 3.638 1.00 25.00 C ATOM 1355 C MET A 88 2.279 1.893 4.459 1.00 25.00 C ATOM 1356 O MET A 88 2.259 1.029 5.340 1.00 25.00 O ATOM 1357 CB MET A 88 0.232 3.320 4.340 1.00 25.00 C ATOM 1358 CG MET A 88 -0.958 3.819 3.532 1.00 25.00 C ATOM 1359 SD MET A 88 -1.936 5.074 4.389 1.00 25.00 S ATOM 1360 CE MET A 88 -3.279 5.326 3.232 1.00 25.00 C ATOM 0 H MET A 88 -0.435 0.813 4.270 1.00 25.00 H new ATOM 0 HA MET A 88 1.303 2.533 2.640 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.120 2.956 5.305 1.00 25.00 H new ATOM 0 HB3 MET A 88 0.903 4.155 4.540 1.00 25.00 H new ATOM 0 HG2 MET A 88 -0.599 4.231 2.589 1.00 25.00 H new ATOM 0 HG3 MET A 88 -1.601 2.974 3.287 1.00 25.00 H new ATOM 0 HE1 MET A 88 -3.964 6.076 3.627 1.00 25.00 H new ATOM 0 HE2 MET A 88 -2.878 5.668 2.278 1.00 25.00 H new ATOM 0 HE3 MET A 88 -3.814 4.388 3.085 1.00 25.00 H new ATOM 1370 N PHE A 89 3.370 2.610 4.151 1.00 25.00 N ATOM 1371 CA PHE A 89 4.615 2.532 4.927 1.00 25.00 C ATOM 1372 C PHE A 89 5.195 3.934 5.105 1.00 25.00 C ATOM 1373 O PHE A 89 5.381 4.652 4.124 1.00 25.00 O ATOM 1374 CB PHE A 89 5.679 1.662 4.233 1.00 25.00 C ATOM 1375 CG PHE A 89 5.329 0.211 4.034 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.747 -0.227 2.857 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.572 -0.709 5.040 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.421 -1.558 2.688 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.249 -2.037 4.881 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.697 -2.462 3.633 1.00 25.00 C ATOM 0 H PHE A 89 3.414 3.256 3.363 1.00 25.00 H new ATOM 0 HA PHE A 89 4.366 2.080 5.887 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.895 2.099 3.258 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.598 1.715 4.817 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.546 0.478 2.064 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.022 -0.379 5.964 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.935 -1.874 1.777 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.409 -2.743 5.682 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.504 -3.509 3.454 1.00 25.00 H new ATOM 1390 N SER A 90 5.502 4.315 6.347 1.00 25.00 N ATOM 1391 CA SER A 90 6.058 5.646 6.627 1.00 25.00 C ATOM 1392 C SER A 90 7.583 5.661 6.504 1.00 25.00 C ATOM 1393 O SER A 90 8.267 4.715 6.898 1.00 25.00 O ATOM 1394 CB SER A 90 5.613 6.141 7.996 1.00 25.00 C ATOM 1395 OG SER A 90 6.328 7.304 8.376 1.00 25.00 O ATOM 0 H SER A 90 5.377 3.727 7.171 1.00 25.00 H new ATOM 0 HA SER A 90 5.667 6.330 5.874 1.00 25.00 H new ATOM 0 HB2 SER A 90 4.545 6.357 7.978 1.00 25.00 H new ATOM 0 HB3 SER A 90 5.768 5.357 8.737 1.00 25.00 H new ATOM 0 HG SER A 90 6.316 7.951 7.640 1.00 25.00 H new ATOM 1401 N PHE A 91 8.091 6.760 5.946 1.00 25.00 N ATOM 1402 CA PHE A 91 9.507 6.894 5.581 1.00 25.00 C ATOM 1403 C PHE A 91 10.144 8.140 6.206 1.00 25.00 C ATOM 1404 O PHE A 91 9.474 8.918 6.888 1.00 25.00 O ATOM 1405 CB PHE A 91 9.633 6.966 4.050 1.00 25.00 C ATOM 1406 CG PHE A 91 9.547 5.634 3.349 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.363 4.913 3.335 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.650 5.114 2.685 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.284 3.702 2.674 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.572 3.900 2.026 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.386 3.196 2.021 1.00 25.00 C ATOM 0 H PHE A 91 7.533 7.587 5.733 1.00 25.00 H new ATOM 0 HA PHE A 91 10.036 6.022 5.966 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.848 7.616 3.664 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.585 7.433 3.799 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.494 5.301 3.846 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.580 5.664 2.683 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.355 3.151 2.669 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.438 3.504 1.516 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.322 2.249 1.506 1.00 25.00 H new ATOM 1421 N ASN A 92 11.460 8.294 5.986 1.00 25.00 N ATOM 1422 CA ASN A 92 12.203 9.477 6.428 1.00 25.00 C ATOM 1423 C ASN A 92 12.968 10.117 5.248 1.00 25.00 C ATOM 1424 O ASN A 92 13.521 11.213 5.385 1.00 25.00 O ATOM 1425 CB ASN A 92 13.173 9.092 7.562 1.00 25.00 C ATOM 1426 CG ASN A 92 12.466 8.688 8.848 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.708 9.468 9.426 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.713 7.464 9.301 1.00 25.00 N ATOM 0 H ASN A 92 12.033 7.604 5.499 1.00 25.00 H new ATOM 0 HA ASN A 92 11.495 10.214 6.806 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.803 8.268 7.228 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.833 9.935 7.768 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.268 7.138 10.159 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.348 6.850 8.791 1.00 25.00 H new ATOM 1435 N ASN A 93 12.987 9.425 4.092 1.00 25.00 N ATOM 1436 CA ASN A 93 13.719 9.888 2.899 1.00 25.00 C ATOM 1437 C ASN A 93 12.960 9.539 1.611 1.00 25.00 C ATOM 1438 O ASN A 93 12.329 8.483 1.513 1.00 25.00 O ATOM 1439 CB ASN A 93 15.127 9.272 2.860 1.00 25.00 C ATOM 1440 CG ASN A 93 15.994 9.842 1.749 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.593 10.770 1.048 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.185 9.279 1.580 1.00 25.00 N ATOM 0 H ASN A 93 12.500 8.538 3.960 1.00 25.00 H new ATOM 0 HA ASN A 93 13.805 10.973 2.962 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.618 9.440 3.819 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.042 8.193 2.730 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.808 9.614 0.845 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.477 8.511 2.185 1.00 25.00 H new ATOM 1449 N ARG A 94 13.038 10.454 0.627 1.00 25.00 N ATOM 1450 CA ARG A 94 12.332 10.321 -0.664 1.00 25.00 C ATOM 1451 C ARG A 94 13.062 9.396 -1.641 1.00 25.00 C ATOM 1452 O ARG A 94 12.427 8.736 -2.465 1.00 25.00 O ATOM 1453 CB ARG A 94 12.170 11.692 -1.336 1.00 25.00 C ATOM 1454 CG ARG A 94 11.517 12.771 -0.479 1.00 25.00 C ATOM 1455 CD ARG A 94 10.074 12.454 -0.112 1.00 25.00 C ATOM 1456 NE ARG A 94 9.466 13.547 0.655 1.00 25.00 N ATOM 1457 CZ ARG A 94 8.476 13.403 1.547 1.00 25.00 C ATOM 1458 NH1 ARG A 94 7.947 12.210 1.800 1.00 25.00 N ATOM 1459 NH2 ARG A 94 8.013 14.467 2.186 1.00 25.00 N ATOM 0 H ARG A 94 13.592 11.307 0.703 1.00 25.00 H new ATOM 0 HA ARG A 94 11.359 9.887 -0.432 1.00 25.00 H new ATOM 0 HB2 ARG A 94 13.154 12.044 -1.645 1.00 25.00 H new ATOM 0 HB3 ARG A 94 11.578 11.565 -2.242 1.00 25.00 H new ATOM 0 HG2 ARG A 94 12.097 12.901 0.435 1.00 25.00 H new ATOM 0 HG3 ARG A 94 11.549 13.720 -1.014 1.00 25.00 H new ATOM 0 HD2 ARG A 94 9.496 12.278 -1.019 1.00 25.00 H new ATOM 0 HD3 ARG A 94 10.039 11.534 0.472 1.00 25.00 H new ATOM 0 HE ARG A 94 9.824 14.489 0.497 1.00 25.00 H new ATOM 0 HH11 ARG A 94 8.294 11.384 1.312 1.00 25.00 H new ATOM 0 HH12 ARG A 94 7.194 12.120 2.482 1.00 25.00 H new ATOM 0 HH21 ARG A 94 8.410 15.388 1.998 1.00 25.00 H new ATOM 0 HH22 ARG A 94 7.260 14.366 2.866 1.00 25.00 H new ATOM 1473 N THR A 95 14.397 9.365 -1.550 1.00 25.00 N ATOM 1474 CA THR A 95 15.232 8.562 -2.456 1.00 25.00 C ATOM 1475 C THR A 95 15.117 7.063 -2.132 1.00 25.00 C ATOM 1476 O THR A 95 15.436 6.222 -2.974 1.00 25.00 O ATOM 1477 CB THR A 95 16.718 9.009 -2.388 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.216 8.838 -1.054 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.892 10.476 -2.787 1.00 25.00 C ATOM 0 H THR A 95 14.926 9.890 -0.854 1.00 25.00 H new ATOM 0 HA THR A 95 14.866 8.726 -3.470 1.00 25.00 H new ATOM 0 HB THR A 95 17.275 8.389 -3.091 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.154 9.120 -1.016 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.946 10.747 -2.726 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.539 10.620 -3.808 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.315 11.108 -2.112 1.00 25.00 H new ATOM 1487 N VAL A 96 14.655 6.740 -0.912 1.00 25.00 N ATOM 1488 CA VAL A 96 14.369 5.349 -0.539 1.00 25.00 C ATOM 1489 C VAL A 96 13.031 4.931 -1.167 1.00 25.00 C ATOM 1490 O VAL A 96 13.019 4.070 -2.036 1.00 25.00 O ATOM 1491 CB VAL A 96 14.335 5.117 1.008 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.065 3.648 1.340 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.634 5.556 1.678 1.00 25.00 C ATOM 0 H VAL A 96 14.473 7.420 -0.174 1.00 25.00 H new ATOM 0 HA VAL A 96 15.184 4.734 -0.920 1.00 25.00 H new ATOM 0 HB VAL A 96 13.521 5.729 1.397 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.047 3.517 2.422 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.103 3.352 0.922 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.853 3.028 0.912 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.568 5.378 2.751 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.467 4.986 1.266 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.796 6.618 1.496 1.00 25.00 H new ATOM 1503 N MET A 97 11.923 5.603 -0.774 1.00 25.00 N ATOM 1504 CA MET A 97 10.567 5.299 -1.304 1.00 25.00 C ATOM 1505 C MET A 97 10.549 5.203 -2.836 1.00 25.00 C ATOM 1506 O MET A 97 9.881 4.339 -3.396 1.00 25.00 O ATOM 1507 CB MET A 97 9.525 6.339 -0.830 1.00 25.00 C ATOM 1508 CG MET A 97 9.909 7.793 -1.052 1.00 25.00 C ATOM 1509 SD MET A 97 8.523 8.939 -0.873 1.00 25.00 S ATOM 1510 CE MET A 97 8.225 9.429 -2.573 1.00 25.00 C ATOM 0 H MET A 97 11.939 6.360 -0.091 1.00 25.00 H new ATOM 0 HA MET A 97 10.296 4.323 -0.902 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.584 6.146 -1.345 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.343 6.187 0.234 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.690 8.067 -0.343 1.00 25.00 H new ATOM 0 HG3 MET A 97 10.333 7.900 -2.051 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.151 9.474 -2.756 1.00 25.00 H new ATOM 0 HE2 MET A 97 8.665 10.410 -2.751 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.677 8.701 -3.246 1.00 25.00 H new ATOM 1520 N ASP A 98 11.298 6.100 -3.488 1.00 25.00 N ATOM 1521 CA ASP A 98 11.447 6.094 -4.950 1.00 25.00 C ATOM 1522 C ASP A 98 12.268 4.894 -5.463 1.00 25.00 C ATOM 1523 O ASP A 98 12.110 4.486 -6.614 1.00 25.00 O ATOM 1524 CB ASP A 98 12.090 7.414 -5.396 1.00 25.00 C ATOM 1525 CG ASP A 98 11.134 8.589 -5.304 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.915 8.354 -5.172 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.606 9.743 -5.362 1.00 25.00 O ATOM 0 H ASP A 98 11.815 6.846 -3.022 1.00 25.00 H new ATOM 0 HA ASP A 98 10.452 5.993 -5.385 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.966 7.614 -4.779 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.440 7.315 -6.424 1.00 25.00 H new ATOM 1532 N ASN A 99 13.139 4.347 -4.605 1.00 25.00 N ATOM 1533 CA ASN A 99 13.928 3.141 -4.918 1.00 25.00 C ATOM 1534 C ASN A 99 13.171 1.853 -4.570 1.00 25.00 C ATOM 1535 O ASN A 99 13.317 0.846 -5.271 1.00 25.00 O ATOM 1536 CB ASN A 99 15.266 3.187 -4.168 1.00 25.00 C ATOM 1537 CG ASN A 99 16.412 3.707 -5.022 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.737 3.146 -6.071 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.033 4.791 -4.575 1.00 25.00 N ATOM 0 H ASN A 99 13.319 4.725 -3.675 1.00 25.00 H new ATOM 0 HA ASN A 99 14.109 3.132 -5.993 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.160 3.821 -3.288 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.511 2.186 -3.813 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.809 5.189 -5.104 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.734 5.226 -3.702 1.00 25.00 H new ATOM 1546 N ILE A 100 12.365 1.881 -3.490 1.00 25.00 N ATOM 1547 CA ILE A 100 11.500 0.743 -3.132 1.00 25.00 C ATOM 1548 C ILE A 100 10.341 0.656 -4.149 1.00 25.00 C ATOM 1549 O ILE A 100 10.171 -0.373 -4.800 1.00 25.00 O ATOM 1550 CB ILE A 100 10.960 0.841 -1.648 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.102 0.898 -0.588 1.00 25.00 C ATOM 1552 CG2 ILE A 100 9.995 -0.302 -1.296 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.043 -0.301 -0.519 1.00 25.00 C ATOM 0 H ILE A 100 12.296 2.676 -2.854 1.00 25.00 H new ATOM 0 HA ILE A 100 12.093 -0.171 -3.175 1.00 25.00 H new ATOM 0 HB ILE A 100 10.414 1.784 -1.612 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.701 1.788 -0.783 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.647 1.028 0.394 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.654 -0.187 -0.267 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.137 -0.274 -1.968 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.508 -1.258 -1.403 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.789 -0.134 0.258 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.471 -1.199 -0.285 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.542 -0.428 -1.480 1.00 25.00 H new ATOM 1565 N LYS A 101 9.582 1.764 -4.299 1.00 25.00 N ATOM 1566 CA LYS A 101 8.498 1.892 -5.296 1.00 25.00 C ATOM 1567 C LYS A 101 8.946 1.493 -6.707 1.00 25.00 C ATOM 1568 O LYS A 101 8.223 0.777 -7.397 1.00 25.00 O ATOM 1569 CB LYS A 101 7.971 3.330 -5.303 1.00 25.00 C ATOM 1570 CG LYS A 101 6.822 3.563 -6.280 1.00 25.00 C ATOM 1571 CD LYS A 101 6.272 4.985 -6.207 1.00 25.00 C ATOM 1572 CE LYS A 101 5.144 5.237 -7.204 1.00 25.00 C ATOM 1573 NZ LYS A 101 4.621 6.628 -7.110 1.00 25.00 N ATOM 0 H LYS A 101 9.706 2.600 -3.727 1.00 25.00 H new ATOM 0 HA LYS A 101 7.705 1.203 -5.005 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.639 3.590 -4.298 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.789 4.005 -5.552 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.166 3.361 -7.295 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.020 2.855 -6.068 1.00 25.00 H new ATOM 0 HD2 LYS A 101 5.908 5.177 -5.198 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.080 5.692 -6.394 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.506 5.053 -8.216 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.334 4.531 -7.022 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 3.743 6.707 -7.662 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.426 6.859 -6.115 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.328 7.291 -7.487 1.00 25.00 H new ATOM 1587 N MET A 102 10.143 1.946 -7.120 1.00 25.00 N ATOM 1588 CA MET A 102 10.697 1.602 -8.440 1.00 25.00 C ATOM 1589 C MET A 102 10.859 0.086 -8.605 1.00 25.00 C ATOM 1590 O MET A 102 10.255 -0.491 -9.508 1.00 25.00 O ATOM 1591 CB MET A 102 12.025 2.328 -8.673 1.00 25.00 C ATOM 1592 CG MET A 102 12.664 2.036 -10.033 1.00 25.00 C ATOM 1593 SD MET A 102 14.230 2.871 -10.285 1.00 25.00 S ATOM 1594 CE MET A 102 15.224 1.881 -9.184 1.00 25.00 C ATOM 0 H MET A 102 10.744 2.550 -6.559 1.00 25.00 H new ATOM 0 HA MET A 102 9.988 1.936 -9.197 1.00 25.00 H new ATOM 0 HB2 MET A 102 11.861 3.402 -8.583 1.00 25.00 H new ATOM 0 HB3 MET A 102 12.725 2.046 -7.886 1.00 25.00 H new ATOM 0 HG2 MET A 102 12.815 0.961 -10.131 1.00 25.00 H new ATOM 0 HG3 MET A 102 11.972 2.333 -10.821 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.269 1.934 -9.490 1.00 25.00 H new ATOM 0 HE2 MET A 102 15.124 2.258 -8.166 1.00 25.00 H new ATOM 0 HE3 MET A 102 14.887 0.845 -9.222 1.00 25.00 H new ATOM 1604 N THR A 103 11.660 -0.546 -7.725 1.00 25.00 N ATOM 1605 CA THR A 103 11.860 -2.007 -7.755 1.00 25.00 C ATOM 1606 C THR A 103 10.502 -2.720 -7.802 1.00 25.00 C ATOM 1607 O THR A 103 10.230 -3.435 -8.756 1.00 25.00 O ATOM 1608 CB THR A 103 12.697 -2.508 -6.547 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.973 -1.856 -6.540 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.916 -4.027 -6.592 1.00 25.00 C ATOM 0 H THR A 103 12.177 -0.069 -6.987 1.00 25.00 H new ATOM 0 HA THR A 103 12.425 -2.246 -8.656 1.00 25.00 H new ATOM 0 HB THR A 103 12.139 -2.269 -5.641 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.882 -0.962 -6.148 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.506 -4.335 -5.729 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.952 -4.534 -6.572 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.446 -4.291 -7.507 1.00 25.00 H new ATOM 1618 N LEU A 104 9.637 -2.433 -6.806 1.00 25.00 N ATOM 1619 CA LEU A 104 8.247 -2.921 -6.759 1.00 25.00 C ATOM 1620 C LEU A 104 7.575 -2.793 -8.128 1.00 25.00 C ATOM 1621 O LEU A 104 7.157 -3.781 -8.715 1.00 25.00 O ATOM 1622 CB LEU A 104 7.442 -2.090 -5.740 1.00 25.00 C ATOM 1623 CG LEU A 104 7.836 -2.232 -4.269 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.084 -1.226 -3.414 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.548 -3.618 -3.742 1.00 25.00 C ATOM 0 H LEU A 104 9.888 -1.851 -6.007 1.00 25.00 H new ATOM 0 HA LEU A 104 8.267 -3.971 -6.467 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.529 -1.039 -6.015 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.390 -2.359 -5.837 1.00 25.00 H new ATOM 0 HG LEU A 104 8.909 -2.047 -4.212 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.378 -1.343 -2.371 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.322 -0.216 -3.747 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.012 -1.397 -3.510 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.842 -3.677 -2.694 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.482 -3.827 -3.832 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.112 -4.351 -4.319 1.00 25.00 H new ATOM 1637 N GLN A 105 7.543 -1.554 -8.637 1.00 25.00 N ATOM 1638 CA GLN A 105 6.970 -1.234 -9.964 1.00 25.00 C ATOM 1639 C GLN A 105 7.614 -2.050 -11.100 1.00 25.00 C ATOM 1640 O GLN A 105 6.955 -2.355 -12.099 1.00 25.00 O ATOM 1641 CB GLN A 105 7.130 0.265 -10.273 1.00 25.00 C ATOM 1642 CG GLN A 105 6.052 1.159 -9.670 1.00 25.00 C ATOM 1643 CD GLN A 105 6.261 2.638 -9.962 1.00 25.00 C ATOM 1644 OE1 GLN A 105 5.373 3.468 -9.751 1.00 25.00 O ATOM 1645 NE2 GLN A 105 7.448 2.977 -10.452 1.00 25.00 N ATOM 0 H GLN A 105 7.912 -0.740 -8.145 1.00 25.00 H new ATOM 0 HA GLN A 105 5.914 -1.499 -9.915 1.00 25.00 H new ATOM 0 HB2 GLN A 105 8.103 0.595 -9.908 1.00 25.00 H new ATOM 0 HB3 GLN A 105 7.132 0.401 -11.355 1.00 25.00 H new ATOM 0 HG2 GLN A 105 5.079 0.854 -10.056 1.00 25.00 H new ATOM 0 HG3 GLN A 105 6.028 1.009 -8.591 1.00 25.00 H new ATOM 0 HE21 GLN A 105 8.157 2.261 -10.613 1.00 25.00 H new ATOM 0 HE22 GLN A 105 7.651 3.953 -10.668 1.00 25.00 H new ATOM 1654 N GLN A 106 8.901 -2.399 -10.932 1.00 25.00 N ATOM 1655 CA GLN A 106 9.629 -3.228 -11.896 1.00 25.00 C ATOM 1656 C GLN A 106 9.246 -4.713 -11.748 1.00 25.00 C ATOM 1657 O GLN A 106 9.444 -5.509 -12.669 1.00 25.00 O ATOM 1658 CB GLN A 106 11.141 -3.031 -11.728 1.00 25.00 C ATOM 1659 CG GLN A 106 11.655 -1.655 -12.179 1.00 25.00 C ATOM 1660 CD GLN A 106 13.143 -1.443 -11.926 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.807 -2.283 -11.319 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.671 -0.317 -12.395 1.00 25.00 N ATOM 0 H GLN A 106 9.459 -2.114 -10.127 1.00 25.00 H new ATOM 0 HA GLN A 106 9.349 -2.914 -12.902 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.400 -3.176 -10.679 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.661 -3.803 -12.295 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.456 -1.534 -13.244 1.00 25.00 H new ATOM 0 HG3 GLN A 106 11.093 -0.879 -11.659 1.00 25.00 H new ATOM 0 HE21 GLN A 106 13.084 0.353 -12.893 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.663 -0.123 -12.257 1.00 25.00 H new ATOM 1671 N ILE A 107 8.698 -5.057 -10.570 1.00 25.00 N ATOM 1672 CA ILE A 107 8.211 -6.409 -10.261 1.00 25.00 C ATOM 1673 C ILE A 107 6.757 -6.618 -10.755 1.00 25.00 C ATOM 1674 O ILE A 107 6.444 -7.668 -11.322 1.00 25.00 O ATOM 1675 CB ILE A 107 8.310 -6.689 -8.718 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.796 -6.692 -8.271 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.608 -7.997 -8.337 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.045 -6.706 -6.766 1.00 25.00 C ATOM 0 H ILE A 107 8.580 -4.398 -9.800 1.00 25.00 H new ATOM 0 HA ILE A 107 8.847 -7.118 -10.791 1.00 25.00 H new ATOM 0 HB ILE A 107 7.793 -5.887 -8.191 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.284 -7.564 -8.707 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.282 -5.811 -8.691 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.697 -8.158 -7.263 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.554 -7.937 -8.609 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.073 -8.828 -8.868 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.118 -6.707 -6.575 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.597 -5.821 -6.315 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.598 -7.600 -6.332 1.00 25.00 H new ATOM 1690 N ILE A 108 5.885 -5.619 -10.533 1.00 25.00 N ATOM 1691 CA ILE A 108 4.444 -5.731 -10.865 1.00 25.00 C ATOM 1692 C ILE A 108 4.212 -5.679 -12.377 1.00 25.00 C ATOM 1693 O ILE A 108 3.315 -6.346 -12.891 1.00 25.00 O ATOM 1694 CB ILE A 108 3.609 -4.626 -10.143 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.668 -4.883 -8.641 1.00 25.00 C ATOM 1696 CG2 ILE A 108 2.143 -4.616 -10.611 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.219 -3.732 -7.777 1.00 25.00 C ATOM 0 H ILE A 108 6.148 -4.722 -10.125 1.00 25.00 H new ATOM 0 HA ILE A 108 4.104 -6.703 -10.506 1.00 25.00 H new ATOM 0 HB ILE A 108 4.034 -3.652 -10.388 1.00 25.00 H new ATOM 0 HG12 ILE A 108 3.050 -5.751 -8.412 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.692 -5.141 -8.372 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.598 -3.833 -10.084 1.00 25.00 H new ATOM 0 HG22 ILE A 108 2.105 -4.426 -11.684 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.686 -5.582 -10.397 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.298 -4.013 -6.727 1.00 25.00 H new ATOM 0 HD12 ILE A 108 3.851 -2.865 -7.969 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.183 -3.485 -8.010 1.00 25.00 H new ATOM 1709 N SER A 109 5.031 -4.885 -13.067 1.00 25.00 N ATOM 1710 CA SER A 109 5.004 -4.803 -14.540 1.00 25.00 C ATOM 1711 C SER A 109 5.384 -6.150 -15.187 1.00 25.00 C ATOM 1712 O SER A 109 5.089 -6.386 -16.363 1.00 25.00 O ATOM 1713 CB SER A 109 5.941 -3.690 -15.018 1.00 25.00 C ATOM 1714 OG SER A 109 7.298 -3.992 -14.735 1.00 25.00 O ATOM 0 H SER A 109 5.729 -4.282 -12.631 1.00 25.00 H new ATOM 0 HA SER A 109 3.986 -4.568 -14.850 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.816 -3.544 -16.091 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.668 -2.752 -14.535 1.00 25.00 H new ATOM 0 HG SER A 109 7.543 -3.612 -13.866 1.00 25.00 H new ATOM 1720 N ARG A 110 6.041 -7.022 -14.399 1.00 25.00 N ATOM 1721 CA ARG A 110 6.322 -8.410 -14.809 1.00 25.00 C ATOM 1722 C ARG A 110 5.069 -9.284 -14.666 1.00 25.00 C ATOM 1723 O ARG A 110 4.767 -10.099 -15.542 1.00 25.00 O ATOM 1724 CB ARG A 110 7.457 -9.014 -13.967 1.00 25.00 C ATOM 1725 CG ARG A 110 7.880 -10.406 -14.403 1.00 25.00 C ATOM 1726 CD ARG A 110 9.020 -10.937 -13.548 1.00 25.00 C ATOM 1727 NE ARG A 110 9.431 -12.286 -13.955 1.00 25.00 N ATOM 1728 CZ ARG A 110 10.213 -13.099 -13.227 1.00 25.00 C ATOM 1729 NH1 ARG A 110 10.690 -12.720 -12.042 1.00 25.00 N ATOM 1730 NH2 ARG A 110 10.519 -14.302 -13.693 1.00 25.00 N ATOM 0 H ARG A 110 6.389 -6.787 -13.469 1.00 25.00 H new ATOM 0 HA ARG A 110 6.628 -8.386 -15.855 1.00 25.00 H new ATOM 0 HB2 ARG A 110 8.322 -8.352 -14.014 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.141 -9.052 -12.925 1.00 25.00 H new ATOM 0 HG2 ARG A 110 7.029 -11.083 -14.337 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.188 -10.383 -15.448 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.872 -10.261 -13.620 1.00 25.00 H new ATOM 0 HD3 ARG A 110 8.712 -10.952 -12.502 1.00 25.00 H new ATOM 0 HE ARG A 110 9.099 -12.631 -14.856 1.00 25.00 H new ATOM 0 HH11 ARG A 110 10.463 -11.797 -11.672 1.00 25.00 H new ATOM 0 HH12 ARG A 110 11.283 -13.353 -11.505 1.00 25.00 H new ATOM 0 HH21 ARG A 110 10.161 -14.604 -14.599 1.00 25.00 H new ATOM 0 HH22 ARG A 110 11.113 -14.925 -13.146 1.00 25.00 H new ATOM 1744 N TYR A 111 4.351 -9.096 -13.547 1.00 25.00 N ATOM 1745 CA TYR A 111 3.070 -9.786 -13.297 1.00 25.00 C ATOM 1746 C TYR A 111 1.908 -9.079 -14.010 1.00 25.00 C ATOM 1747 O TYR A 111 0.755 -9.520 -13.941 1.00 25.00 O ATOM 1748 CB TYR A 111 2.787 -9.876 -11.791 1.00 25.00 C ATOM 1749 CG TYR A 111 3.861 -10.618 -11.012 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.117 -11.968 -11.250 1.00 25.00 C ATOM 1751 CD2 TYR A 111 4.619 -9.970 -10.045 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.094 -12.643 -10.551 1.00 25.00 C ATOM 1753 CE2 TYR A 111 5.596 -10.643 -9.340 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.829 -11.976 -9.598 1.00 25.00 C ATOM 1755 OH TYR A 111 6.809 -12.643 -8.902 1.00 25.00 O ATOM 0 H TYR A 111 4.636 -8.468 -12.795 1.00 25.00 H new ATOM 0 HA TYR A 111 3.155 -10.795 -13.700 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.689 -8.868 -11.388 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.830 -10.375 -11.639 1.00 25.00 H new ATOM 0 HD1 TYR A 111 3.539 -12.494 -11.996 1.00 25.00 H new ATOM 0 HD2 TYR A 111 4.441 -8.924 -9.842 1.00 25.00 H new ATOM 0 HE1 TYR A 111 5.281 -13.688 -10.750 1.00 25.00 H new ATOM 0 HE2 TYR A 111 6.176 -10.127 -8.589 1.00 25.00 H new ATOM 0 HH TYR A 111 7.640 -12.124 -8.928 1.00 25.00 H new ATOM 1765 N LYS A 112 2.240 -7.982 -14.703 1.00 25.00 N ATOM 1766 CA LYS A 112 1.274 -7.181 -15.447 1.00 25.00 C ATOM 1767 C LYS A 112 1.199 -7.655 -16.906 1.00 25.00 C ATOM 1768 O LYS A 112 0.140 -7.595 -17.535 1.00 25.00 O ATOM 1769 CB LYS A 112 1.697 -5.709 -15.381 1.00 25.00 C ATOM 1770 CG LYS A 112 0.710 -4.741 -16.034 1.00 25.00 C ATOM 1771 CD LYS A 112 1.149 -3.266 -15.936 1.00 25.00 C ATOM 1772 CE LYS A 112 0.252 -2.295 -16.723 1.00 25.00 C ATOM 1773 NZ LYS A 112 0.303 -2.526 -18.195 1.00 25.00 N ATOM 0 H LYS A 112 3.195 -7.627 -14.760 1.00 25.00 H new ATOM 0 HA LYS A 112 0.284 -7.295 -15.005 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.827 -5.427 -14.336 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.668 -5.600 -15.864 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.590 -5.008 -17.084 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -0.266 -4.855 -15.562 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.157 -2.969 -14.887 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.172 -3.177 -16.301 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -0.777 -2.398 -16.379 1.00 25.00 H new ATOM 0 HE3 LYS A 112 0.558 -1.271 -16.510 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -0.223 -1.773 -18.683 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 1.293 -2.519 -18.513 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -0.125 -3.448 -18.417 1.00 25.00 H new